USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 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 82 THR OG1 : rot -93:sc= 0.98 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -0.158! C(o=0.82!,f=-15!) USER MOD Set 2.1: A 66 GLN : amide:sc= 0.0214 K(o=0.98,f=-24!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 165:sc= 0.958! (180deg=-0.225) USER MOD Set 3.1: A 46 SER OG : rot -147:sc= 1.73 USER MOD Set 3.2: A 58 THR OG1 : rot 133:sc= -0.164! USER MOD Set 4.1: A 36 CYS SG : rot -140:sc= 0.319 USER MOD Set 4.2: A 44 SER OG : rot -171:sc= 0.195 USER MOD Single : A 1 GLY N :NH3+ 146:sc= 1.02 (180deg=0.383) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0725 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 16 THR OG1 : rot 67:sc= 1.06 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.525 K(o=0.52,f=-7.9!) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.614 F(o=-1.8!,f=-0.61) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 1.07 (180deg=0.836) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 102:sc= 1.05 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= 0.756 (180deg=0.117) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.382 -34.987 -19.588 1.00 7.75 N ATOM 2 CA GLY A 1 5.635 -34.572 -20.294 1.00 7.54 C ATOM 3 C GLY A 1 6.460 -33.693 -19.360 1.00 7.36 C ATOM 4 O GLY A 1 6.623 -34.013 -18.200 1.00 7.88 O ATOM 0 H1 GLY A 1 3.604 -35.056 -20.274 1.00 7.75 H new ATOM 0 H2 GLY A 1 4.528 -35.912 -19.136 1.00 7.75 H new ATOM 0 H3 GLY A 1 4.142 -34.281 -18.863 1.00 7.75 H new ATOM 0 HA2 GLY A 1 6.209 -35.450 -20.590 1.00 7.54 H new ATOM 0 HA3 GLY A 1 5.391 -34.028 -21.206 1.00 7.54 H new ATOM 10 N SER A 2 6.947 -32.570 -19.840 1.00 6.84 N ATOM 11 CA SER A 2 7.723 -31.649 -18.945 1.00 6.95 C ATOM 12 C SER A 2 6.856 -31.322 -17.735 1.00 6.26 C ATOM 13 O SER A 2 7.292 -31.334 -16.600 1.00 6.50 O ATOM 14 CB SER A 2 7.973 -30.389 -19.768 1.00 7.08 C ATOM 15 OG SER A 2 6.911 -30.214 -20.701 1.00 6.39 O ATOM 0 H SER A 2 6.842 -32.254 -20.804 1.00 6.84 H new ATOM 0 HA SER A 2 8.661 -32.083 -18.597 1.00 6.95 H new ATOM 0 HB2 SER A 2 8.042 -29.521 -19.112 1.00 7.08 H new ATOM 0 HB3 SER A 2 8.924 -30.468 -20.294 1.00 7.08 H new ATOM 0 HG SER A 2 7.070 -29.404 -21.229 1.00 6.39 H new ATOM 21 N MET A 3 5.611 -31.086 -18.002 1.00 5.53 N ATOM 22 CA MET A 3 4.628 -30.813 -16.930 1.00 4.95 C ATOM 23 C MET A 3 3.650 -31.991 -16.892 1.00 4.22 C ATOM 24 O MET A 3 3.779 -32.940 -17.660 1.00 4.15 O ATOM 25 CB MET A 3 3.934 -29.511 -17.348 1.00 5.13 C ATOM 26 CG MET A 3 2.988 -29.770 -18.524 1.00 4.89 C ATOM 27 SD MET A 3 3.167 -28.439 -19.738 1.00 5.34 S ATOM 28 CE MET A 3 1.945 -29.048 -20.927 1.00 5.42 C ATOM 0 H MET A 3 5.223 -31.070 -18.945 1.00 5.53 H new ATOM 0 HA MET A 3 5.064 -30.706 -15.937 1.00 4.95 H new ATOM 0 HB2 MET A 3 3.376 -29.101 -16.506 1.00 5.13 H new ATOM 0 HB3 MET A 3 4.679 -28.767 -17.628 1.00 5.13 H new ATOM 0 HG2 MET A 3 3.216 -30.731 -18.985 1.00 4.89 H new ATOM 0 HG3 MET A 3 1.958 -29.821 -18.173 1.00 4.89 H new ATOM 0 HE1 MET A 3 1.890 -28.365 -21.775 1.00 5.42 H new ATOM 0 HE2 MET A 3 2.239 -30.037 -21.277 1.00 5.42 H new ATOM 0 HE3 MET A 3 0.969 -29.109 -20.446 1.00 5.42 H new ATOM 38 N SER A 4 2.689 -31.956 -16.023 1.00 3.89 N ATOM 39 CA SER A 4 1.719 -33.089 -15.947 1.00 3.60 C ATOM 40 C SER A 4 0.598 -32.770 -14.974 1.00 3.14 C ATOM 41 O SER A 4 -0.557 -33.058 -15.212 1.00 3.06 O ATOM 42 CB SER A 4 2.536 -34.261 -15.435 1.00 4.30 C ATOM 43 OG SER A 4 1.884 -35.464 -15.793 1.00 4.87 O ATOM 0 H SER A 4 2.527 -31.197 -15.361 1.00 3.89 H new ATOM 0 HA SER A 4 1.252 -33.293 -16.910 1.00 3.60 H new ATOM 0 HB2 SER A 4 3.540 -34.235 -15.860 1.00 4.30 H new ATOM 0 HB3 SER A 4 2.646 -34.200 -14.352 1.00 4.30 H new ATOM 0 HG SER A 4 2.405 -36.228 -15.468 1.00 4.87 H new ATOM 49 N ILE A 5 0.940 -32.177 -13.879 1.00 3.14 N ATOM 50 CA ILE A 5 -0.066 -31.823 -12.876 1.00 2.81 C ATOM 51 C ILE A 5 -0.102 -30.311 -12.705 1.00 2.82 C ATOM 52 O ILE A 5 0.120 -29.570 -13.642 1.00 3.22 O ATOM 53 CB ILE A 5 0.380 -32.563 -11.609 1.00 3.16 C ATOM 54 CG1 ILE A 5 1.884 -32.372 -11.303 1.00 3.74 C ATOM 55 CG2 ILE A 5 0.128 -34.047 -11.838 1.00 3.76 C ATOM 56 CD1 ILE A 5 2.137 -31.028 -10.623 1.00 3.73 C ATOM 0 H ILE A 5 1.897 -31.919 -13.637 1.00 3.14 H new ATOM 0 HA ILE A 5 -1.082 -32.110 -13.146 1.00 2.81 H new ATOM 0 HB ILE A 5 -0.180 -32.163 -10.764 1.00 3.16 H new ATOM 0 HG12 ILE A 5 2.234 -33.180 -10.661 1.00 3.74 H new ATOM 0 HG13 ILE A 5 2.457 -32.429 -12.228 1.00 3.74 H new ATOM 0 HG21 ILE A 5 0.434 -34.608 -10.955 1.00 3.76 H new ATOM 0 HG22 ILE A 5 -0.934 -34.212 -12.023 1.00 3.76 H new ATOM 0 HG23 ILE A 5 0.703 -34.385 -12.700 1.00 3.76 H new ATOM 0 HD11 ILE A 5 3.202 -30.918 -10.419 1.00 3.73 H new ATOM 0 HD12 ILE A 5 1.808 -30.221 -11.278 1.00 3.73 H new ATOM 0 HD13 ILE A 5 1.581 -30.984 -9.686 1.00 3.73 H new ATOM 68 N MET A 6 -0.384 -29.834 -11.533 1.00 2.75 N ATOM 69 CA MET A 6 -0.431 -28.363 -11.324 1.00 3.24 C ATOM 70 C MET A 6 0.984 -27.781 -11.199 1.00 3.84 C ATOM 71 O MET A 6 1.232 -26.925 -10.379 1.00 4.15 O ATOM 72 CB MET A 6 -1.211 -28.212 -10.020 1.00 3.11 C ATOM 73 CG MET A 6 -1.900 -26.853 -9.964 1.00 3.71 C ATOM 74 SD MET A 6 -3.523 -26.964 -10.753 1.00 4.11 S ATOM 75 CE MET A 6 -3.778 -25.191 -10.984 1.00 4.91 C ATOM 0 H MET A 6 -0.585 -30.398 -10.707 1.00 2.75 H new ATOM 0 HA MET A 6 -0.893 -27.829 -12.154 1.00 3.24 H new ATOM 0 HB2 MET A 6 -1.953 -29.006 -9.939 1.00 3.11 H new ATOM 0 HB3 MET A 6 -0.536 -28.319 -9.171 1.00 3.11 H new ATOM 0 HG2 MET A 6 -2.009 -26.532 -8.928 1.00 3.71 H new ATOM 0 HG3 MET A 6 -1.290 -26.103 -10.468 1.00 3.71 H new ATOM 0 HE1 MET A 6 -4.741 -25.022 -11.466 1.00 4.91 H new ATOM 0 HE2 MET A 6 -3.765 -24.692 -10.015 1.00 4.91 H new ATOM 0 HE3 MET A 6 -2.983 -24.788 -11.611 1.00 4.91 H new ATOM 85 N ASP A 7 1.902 -28.224 -12.027 1.00 4.20 N ATOM 86 CA ASP A 7 3.296 -27.685 -11.987 1.00 5.13 C ATOM 87 C ASP A 7 3.245 -26.153 -12.047 1.00 5.89 C ATOM 88 O ASP A 7 3.991 -25.457 -11.382 1.00 6.60 O ATOM 89 CB ASP A 7 3.953 -28.259 -13.248 1.00 5.41 C ATOM 90 CG ASP A 7 3.873 -29.786 -13.218 1.00 5.10 C ATOM 91 OD1 ASP A 7 4.718 -30.392 -12.591 1.00 5.69 O ATOM 92 OD2 ASP A 7 2.965 -30.323 -13.830 1.00 4.48 O ATOM 0 H ASP A 7 1.741 -28.942 -12.734 1.00 4.20 H new ATOM 0 HA ASP A 7 3.843 -27.954 -11.083 1.00 5.13 H new ATOM 0 HB2 ASP A 7 3.453 -27.876 -14.137 1.00 5.41 H new ATOM 0 HB3 ASP A 7 4.994 -27.940 -13.305 1.00 5.41 H new ATOM 97 N HIS A 8 2.339 -25.643 -12.836 1.00 5.93 N ATOM 98 CA HIS A 8 2.163 -24.169 -12.984 1.00 6.86 C ATOM 99 C HIS A 8 1.738 -23.510 -11.669 1.00 6.77 C ATOM 100 O HIS A 8 2.282 -22.501 -11.255 1.00 7.54 O ATOM 101 CB HIS A 8 1.024 -24.058 -13.994 1.00 7.11 C ATOM 102 CG HIS A 8 1.229 -22.881 -14.894 1.00 8.27 C ATOM 103 ND1 HIS A 8 1.136 -21.578 -14.436 1.00 8.88 N ATOM 104 CD2 HIS A 8 1.482 -22.798 -16.234 1.00 8.99 C ATOM 105 CE1 HIS A 8 1.331 -20.765 -15.496 1.00 9.90 C ATOM 106 NE2 HIS A 8 1.548 -21.462 -16.616 1.00 10.02 N ATOM 0 H HIS A 8 1.697 -26.201 -13.399 1.00 5.93 H new ATOM 0 HA HIS A 8 3.086 -23.675 -13.286 1.00 6.86 H new ATOM 0 HB2 HIS A 8 0.967 -24.970 -14.587 1.00 7.11 H new ATOM 0 HB3 HIS A 8 0.074 -23.960 -13.469 1.00 7.11 H new ATOM 0 HD2 HIS A 8 1.611 -23.641 -16.896 1.00 8.99 H new ATOM 0 HE1 HIS A 8 1.314 -19.686 -15.446 1.00 9.90 H new ATOM 0 HE2 HIS A 8 1.724 -21.093 -17.551 1.00 10.02 H new ATOM 114 N SER A 9 0.739 -24.056 -11.037 1.00 5.87 N ATOM 115 CA SER A 9 0.233 -23.457 -9.774 1.00 5.75 C ATOM 116 C SER A 9 -0.043 -24.523 -8.719 1.00 4.79 C ATOM 117 O SER A 9 -1.173 -24.709 -8.305 1.00 4.21 O ATOM 118 CB SER A 9 -1.063 -22.752 -10.161 1.00 5.99 C ATOM 119 OG SER A 9 -0.938 -21.371 -9.858 1.00 6.48 O ATOM 0 H SER A 9 0.249 -24.896 -11.343 1.00 5.87 H new ATOM 0 HA SER A 9 0.966 -22.778 -9.337 1.00 5.75 H new ATOM 0 HB2 SER A 9 -1.265 -22.889 -11.223 1.00 5.99 H new ATOM 0 HB3 SER A 9 -1.904 -23.183 -9.618 1.00 5.99 H new ATOM 0 HG SER A 9 -1.765 -20.906 -10.104 1.00 6.48 H new ATOM 125 N PRO A 10 0.999 -25.171 -8.288 1.00 4.87 N ATOM 126 CA PRO A 10 0.846 -26.197 -7.240 1.00 4.30 C ATOM 127 C PRO A 10 0.552 -25.488 -5.913 1.00 4.23 C ATOM 128 O PRO A 10 0.637 -24.274 -5.824 1.00 4.22 O ATOM 129 CB PRO A 10 2.208 -26.895 -7.226 1.00 4.98 C ATOM 130 CG PRO A 10 3.167 -25.881 -7.763 1.00 5.86 C ATOM 131 CD PRO A 10 2.395 -25.020 -8.724 1.00 5.77 C ATOM 0 HA PRO A 10 0.036 -26.907 -7.406 1.00 4.30 H new ATOM 0 HB2 PRO A 10 2.483 -27.203 -6.217 1.00 4.98 H new ATOM 0 HB3 PRO A 10 2.197 -27.794 -7.843 1.00 4.98 H new ATOM 0 HG2 PRO A 10 3.586 -25.280 -6.956 1.00 5.86 H new ATOM 0 HG3 PRO A 10 4.003 -26.367 -8.265 1.00 5.86 H new ATOM 0 HD2 PRO A 10 2.718 -23.980 -8.678 1.00 5.77 H new ATOM 0 HD3 PRO A 10 2.530 -25.350 -9.754 1.00 5.77 H new ATOM 139 N THR A 11 0.221 -26.215 -4.883 1.00 4.22 N ATOM 140 CA THR A 11 -0.054 -25.565 -3.566 1.00 4.20 C ATOM 141 C THR A 11 1.093 -24.608 -3.232 1.00 4.05 C ATOM 142 O THR A 11 0.881 -23.479 -2.839 1.00 3.97 O ATOM 143 CB THR A 11 -0.127 -26.731 -2.578 1.00 4.33 C ATOM 144 OG1 THR A 11 0.933 -27.643 -2.846 1.00 4.31 O ATOM 145 CG2 THR A 11 -1.471 -27.443 -2.751 1.00 4.51 C ATOM 0 H THR A 11 0.128 -27.231 -4.893 1.00 4.22 H new ATOM 0 HA THR A 11 -0.970 -24.974 -3.548 1.00 4.20 H new ATOM 0 HB THR A 11 -0.035 -26.361 -1.557 1.00 4.33 H new ATOM 0 HG1 THR A 11 0.890 -28.390 -2.213 1.00 4.31 H new ATOM 0 HG21 THR A 11 -1.534 -28.276 -2.051 1.00 4.51 H new ATOM 0 HG22 THR A 11 -2.282 -26.742 -2.554 1.00 4.51 H new ATOM 0 HG23 THR A 11 -1.555 -27.818 -3.771 1.00 4.51 H new ATOM 153 N THR A 12 2.307 -25.046 -3.436 1.00 4.04 N ATOM 154 CA THR A 12 3.494 -24.172 -3.184 1.00 3.94 C ATOM 155 C THR A 12 3.499 -22.982 -4.146 1.00 3.84 C ATOM 156 O THR A 12 3.831 -21.872 -3.773 1.00 3.72 O ATOM 157 CB THR A 12 4.705 -25.071 -3.446 1.00 4.04 C ATOM 158 OG1 THR A 12 4.471 -25.858 -4.611 1.00 4.14 O ATOM 159 CG2 THR A 12 4.922 -25.988 -2.246 1.00 4.17 C ATOM 0 H THR A 12 2.531 -25.983 -3.771 1.00 4.04 H new ATOM 0 HA THR A 12 3.493 -23.761 -2.174 1.00 3.94 H new ATOM 0 HB THR A 12 5.591 -24.454 -3.599 1.00 4.04 H new ATOM 0 HG1 THR A 12 5.247 -26.432 -4.779 1.00 4.14 H new ATOM 0 HG21 THR A 12 5.784 -26.630 -2.430 1.00 4.17 H new ATOM 0 HG22 THR A 12 5.101 -25.386 -1.355 1.00 4.17 H new ATOM 0 HG23 THR A 12 4.036 -26.605 -2.095 1.00 4.17 H new ATOM 167 N GLY A 13 3.132 -23.209 -5.378 1.00 3.91 N ATOM 168 CA GLY A 13 3.104 -22.105 -6.388 1.00 3.86 C ATOM 169 C GLY A 13 2.056 -21.064 -5.996 1.00 3.80 C ATOM 170 O GLY A 13 2.378 -19.910 -5.772 1.00 3.69 O ATOM 0 H GLY A 13 2.847 -24.121 -5.734 1.00 3.91 H new ATOM 0 HA2 GLY A 13 4.086 -21.637 -6.455 1.00 3.86 H new ATOM 0 HA3 GLY A 13 2.876 -22.509 -7.374 1.00 3.86 H new ATOM 174 N VAL A 14 0.807 -21.456 -5.902 1.00 3.88 N ATOM 175 CA VAL A 14 -0.257 -20.478 -5.517 1.00 3.86 C ATOM 176 C VAL A 14 0.067 -19.856 -4.153 1.00 3.74 C ATOM 177 O VAL A 14 -0.159 -18.683 -3.935 1.00 3.67 O ATOM 178 CB VAL A 14 -1.570 -21.273 -5.469 1.00 4.01 C ATOM 179 CG1 VAL A 14 -1.877 -21.848 -6.852 1.00 4.17 C ATOM 180 CG2 VAL A 14 -1.468 -22.420 -4.458 1.00 4.06 C ATOM 0 H VAL A 14 0.481 -22.407 -6.075 1.00 3.88 H new ATOM 0 HA VAL A 14 -0.330 -19.656 -6.229 1.00 3.86 H new ATOM 0 HB VAL A 14 -2.370 -20.599 -5.163 1.00 4.01 H new ATOM 0 HG11 VAL A 14 -2.809 -22.411 -6.813 1.00 4.17 H new ATOM 0 HG12 VAL A 14 -1.974 -21.034 -7.571 1.00 4.17 H new ATOM 0 HG13 VAL A 14 -1.067 -22.509 -7.159 1.00 4.17 H new ATOM 0 HG21 VAL A 14 -2.408 -22.972 -4.438 1.00 4.06 H new ATOM 0 HG22 VAL A 14 -0.659 -23.091 -4.749 1.00 4.06 H new ATOM 0 HG23 VAL A 14 -1.264 -22.014 -3.467 1.00 4.06 H new ATOM 190 N VAL A 15 0.623 -20.617 -3.242 1.00 3.74 N ATOM 191 CA VAL A 15 0.979 -20.039 -1.908 1.00 3.66 C ATOM 192 C VAL A 15 2.134 -19.048 -2.079 1.00 3.53 C ATOM 193 O VAL A 15 2.142 -17.979 -1.496 1.00 3.44 O ATOM 194 CB VAL A 15 1.391 -21.235 -1.036 1.00 3.76 C ATOM 195 CG1 VAL A 15 2.192 -20.749 0.176 1.00 3.73 C ATOM 196 CG2 VAL A 15 0.137 -21.964 -0.542 1.00 3.91 C ATOM 0 H VAL A 15 0.844 -21.605 -3.362 1.00 3.74 H new ATOM 0 HA VAL A 15 0.153 -19.494 -1.450 1.00 3.66 H new ATOM 0 HB VAL A 15 2.005 -21.911 -1.631 1.00 3.76 H new ATOM 0 HG11 VAL A 15 2.480 -21.604 0.788 1.00 3.73 H new ATOM 0 HG12 VAL A 15 3.087 -20.229 -0.164 1.00 3.73 H new ATOM 0 HG13 VAL A 15 1.580 -20.068 0.768 1.00 3.73 H new ATOM 0 HG21 VAL A 15 0.429 -22.812 0.077 1.00 3.91 H new ATOM 0 HG22 VAL A 15 -0.474 -21.279 0.046 1.00 3.91 H new ATOM 0 HG23 VAL A 15 -0.438 -22.319 -1.397 1.00 3.91 H new ATOM 206 N THR A 16 3.096 -19.394 -2.891 1.00 3.53 N ATOM 207 CA THR A 16 4.255 -18.477 -3.128 1.00 3.45 C ATOM 208 C THR A 16 3.762 -17.152 -3.706 1.00 3.37 C ATOM 209 O THR A 16 4.067 -16.089 -3.197 1.00 3.29 O ATOM 210 CB THR A 16 5.162 -19.198 -4.132 1.00 3.52 C ATOM 211 OG1 THR A 16 5.694 -20.367 -3.529 1.00 3.60 O ATOM 212 CG2 THR A 16 6.313 -18.281 -4.545 1.00 3.49 C ATOM 0 H THR A 16 3.132 -20.275 -3.404 1.00 3.53 H new ATOM 0 HA THR A 16 4.788 -18.250 -2.205 1.00 3.45 H new ATOM 0 HB THR A 16 4.578 -19.466 -5.013 1.00 3.52 H new ATOM 0 HG1 THR A 16 4.972 -21.009 -3.368 1.00 3.60 H new ATOM 0 HG21 THR A 16 6.953 -18.800 -5.258 1.00 3.49 H new ATOM 0 HG22 THR A 16 5.912 -17.379 -5.007 1.00 3.49 H new ATOM 0 HG23 THR A 16 6.896 -18.010 -3.665 1.00 3.49 H new ATOM 220 N VAL A 17 2.992 -17.209 -4.758 1.00 3.42 N ATOM 221 CA VAL A 17 2.469 -15.950 -5.366 1.00 3.39 C ATOM 222 C VAL A 17 1.516 -15.247 -4.390 1.00 3.34 C ATOM 223 O VAL A 17 1.485 -14.035 -4.323 1.00 3.26 O ATOM 224 CB VAL A 17 1.757 -16.365 -6.663 1.00 3.52 C ATOM 225 CG1 VAL A 17 2.750 -17.072 -7.590 1.00 3.61 C ATOM 226 CG2 VAL A 17 0.588 -17.309 -6.366 1.00 3.63 C ATOM 0 H VAL A 17 2.702 -18.070 -5.223 1.00 3.42 H new ATOM 0 HA VAL A 17 3.266 -15.238 -5.582 1.00 3.39 H new ATOM 0 HB VAL A 17 1.370 -15.467 -7.144 1.00 3.52 H new ATOM 0 HG11 VAL A 17 2.244 -17.366 -8.509 1.00 3.61 H new ATOM 0 HG12 VAL A 17 3.571 -16.395 -7.828 1.00 3.61 H new ATOM 0 HG13 VAL A 17 3.143 -17.959 -7.093 1.00 3.61 H new ATOM 0 HG21 VAL A 17 0.100 -17.589 -7.300 1.00 3.63 H new ATOM 0 HG22 VAL A 17 0.961 -18.205 -5.869 1.00 3.63 H new ATOM 0 HG23 VAL A 17 -0.130 -16.806 -5.718 1.00 3.63 H new ATOM 236 N ILE A 18 0.760 -15.990 -3.611 1.00 3.39 N ATOM 237 CA ILE A 18 -0.158 -15.335 -2.625 1.00 3.37 C ATOM 238 C ILE A 18 0.671 -14.670 -1.533 1.00 3.24 C ATOM 239 O ILE A 18 0.391 -13.564 -1.131 1.00 3.17 O ATOM 240 CB ILE A 18 -1.042 -16.458 -2.066 1.00 3.50 C ATOM 241 CG1 ILE A 18 -2.176 -16.747 -3.054 1.00 3.65 C ATOM 242 CG2 ILE A 18 -1.642 -16.035 -0.723 1.00 3.51 C ATOM 243 CD1 ILE A 18 -2.905 -18.026 -2.635 1.00 3.83 C ATOM 0 H ILE A 18 0.740 -17.010 -3.616 1.00 3.39 H new ATOM 0 HA ILE A 18 -0.775 -14.557 -3.074 1.00 3.37 H new ATOM 0 HB ILE A 18 -0.435 -17.352 -1.922 1.00 3.50 H new ATOM 0 HG12 ILE A 18 -2.873 -15.910 -3.078 1.00 3.65 H new ATOM 0 HG13 ILE A 18 -1.775 -16.858 -4.062 1.00 3.65 H new ATOM 0 HG21 ILE A 18 -2.268 -16.839 -0.335 1.00 3.51 H new ATOM 0 HG22 ILE A 18 -0.839 -15.826 -0.016 1.00 3.51 H new ATOM 0 HG23 ILE A 18 -2.247 -15.139 -0.861 1.00 3.51 H new ATOM 0 HD11 ILE A 18 -3.712 -18.232 -3.338 1.00 3.83 H new ATOM 0 HD12 ILE A 18 -2.204 -18.861 -2.633 1.00 3.83 H new ATOM 0 HD13 ILE A 18 -3.319 -17.898 -1.635 1.00 3.83 H new ATOM 255 N VAL A 19 1.703 -15.317 -1.079 1.00 3.24 N ATOM 256 CA VAL A 19 2.570 -14.686 -0.042 1.00 3.15 C ATOM 257 C VAL A 19 3.231 -13.444 -0.651 1.00 3.06 C ATOM 258 O VAL A 19 3.298 -12.397 -0.033 1.00 2.99 O ATOM 259 CB VAL A 19 3.612 -15.751 0.329 1.00 3.22 C ATOM 260 CG1 VAL A 19 4.798 -15.095 1.041 1.00 3.23 C ATOM 261 CG2 VAL A 19 2.977 -16.785 1.261 1.00 3.35 C ATOM 0 H VAL A 19 1.986 -16.251 -1.377 1.00 3.24 H new ATOM 0 HA VAL A 19 2.020 -14.367 0.843 1.00 3.15 H new ATOM 0 HB VAL A 19 3.961 -16.239 -0.581 1.00 3.22 H new ATOM 0 HG11 VAL A 19 5.533 -15.857 1.301 1.00 3.23 H new ATOM 0 HG12 VAL A 19 5.257 -14.359 0.381 1.00 3.23 H new ATOM 0 HG13 VAL A 19 4.450 -14.602 1.949 1.00 3.23 H new ATOM 0 HG21 VAL A 19 3.717 -17.541 1.524 1.00 3.35 H new ATOM 0 HG22 VAL A 19 2.625 -16.291 2.167 1.00 3.35 H new ATOM 0 HG23 VAL A 19 2.136 -17.261 0.757 1.00 3.35 H new ATOM 271 N ILE A 20 3.689 -13.548 -1.877 1.00 3.08 N ATOM 272 CA ILE A 20 4.315 -12.368 -2.549 1.00 3.03 C ATOM 273 C ILE A 20 3.264 -11.274 -2.729 1.00 2.98 C ATOM 274 O ILE A 20 3.479 -10.131 -2.377 1.00 2.91 O ATOM 275 CB ILE A 20 4.815 -12.883 -3.905 1.00 3.12 C ATOM 276 CG1 ILE A 20 6.002 -13.824 -3.686 1.00 3.18 C ATOM 277 CG2 ILE A 20 5.262 -11.707 -4.780 1.00 3.14 C ATOM 278 CD1 ILE A 20 6.300 -14.586 -4.980 1.00 3.30 C ATOM 0 H ILE A 20 3.656 -14.399 -2.439 1.00 3.08 H new ATOM 0 HA ILE A 20 5.133 -11.940 -1.970 1.00 3.03 H new ATOM 0 HB ILE A 20 4.005 -13.416 -4.403 1.00 3.12 H new ATOM 0 HG12 ILE A 20 6.879 -13.254 -3.378 1.00 3.18 H new ATOM 0 HG13 ILE A 20 5.779 -14.526 -2.882 1.00 3.18 H new ATOM 0 HG21 ILE A 20 5.615 -12.082 -5.741 1.00 3.14 H new ATOM 0 HG22 ILE A 20 4.421 -11.033 -4.941 1.00 3.14 H new ATOM 0 HG23 ILE A 20 6.068 -11.169 -4.282 1.00 3.14 H new ATOM 0 HD11 ILE A 20 7.146 -15.255 -4.822 1.00 3.30 H new ATOM 0 HD12 ILE A 20 5.425 -15.169 -5.269 1.00 3.30 H new ATOM 0 HD13 ILE A 20 6.542 -13.877 -5.772 1.00 3.30 H new ATOM 290 N LEU A 21 2.120 -11.627 -3.250 1.00 3.06 N ATOM 291 CA LEU A 21 1.036 -10.614 -3.430 1.00 3.06 C ATOM 292 C LEU A 21 0.645 -10.061 -2.050 1.00 2.99 C ATOM 293 O LEU A 21 0.492 -8.865 -1.876 1.00 2.93 O ATOM 294 CB LEU A 21 -0.118 -11.362 -4.139 1.00 3.22 C ATOM 295 CG LEU A 21 -1.345 -11.524 -3.229 1.00 3.26 C ATOM 296 CD1 LEU A 21 -2.119 -10.206 -3.160 1.00 3.27 C ATOM 297 CD2 LEU A 21 -2.258 -12.606 -3.805 1.00 3.43 C ATOM 0 H LEU A 21 1.888 -12.571 -3.559 1.00 3.06 H new ATOM 0 HA LEU A 21 1.331 -9.754 -4.031 1.00 3.06 H new ATOM 0 HB2 LEU A 21 -0.404 -10.818 -5.039 1.00 3.22 H new ATOM 0 HB3 LEU A 21 0.229 -12.345 -4.458 1.00 3.22 H new ATOM 0 HG LEU A 21 -1.015 -11.804 -2.229 1.00 3.26 H new ATOM 0 HD11 LEU A 21 -2.988 -10.328 -2.513 1.00 3.27 H new ATOM 0 HD12 LEU A 21 -1.473 -9.426 -2.757 1.00 3.27 H new ATOM 0 HD13 LEU A 21 -2.448 -9.924 -4.160 1.00 3.27 H new ATOM 0 HD21 LEU A 21 -3.131 -12.725 -3.163 1.00 3.43 H new ATOM 0 HD22 LEU A 21 -2.580 -12.316 -4.805 1.00 3.43 H new ATOM 0 HD23 LEU A 21 -1.715 -13.550 -3.858 1.00 3.43 H new ATOM 309 N ILE A 22 0.517 -10.918 -1.060 1.00 3.00 N ATOM 310 CA ILE A 22 0.174 -10.427 0.312 1.00 2.97 C ATOM 311 C ILE A 22 1.269 -9.468 0.791 1.00 2.83 C ATOM 312 O ILE A 22 0.990 -8.402 1.309 1.00 2.78 O ATOM 313 CB ILE A 22 0.106 -11.680 1.198 1.00 3.05 C ATOM 314 CG1 ILE A 22 -1.265 -12.345 1.036 1.00 3.20 C ATOM 315 CG2 ILE A 22 0.301 -11.293 2.670 1.00 3.02 C ATOM 316 CD1 ILE A 22 -1.275 -13.687 1.774 1.00 3.31 C ATOM 0 H ILE A 22 0.635 -11.928 -1.144 1.00 3.00 H new ATOM 0 HA ILE A 22 -0.770 -9.883 0.340 1.00 2.97 H new ATOM 0 HB ILE A 22 0.894 -12.370 0.897 1.00 3.05 H new ATOM 0 HG12 ILE A 22 -2.045 -11.695 1.432 1.00 3.20 H new ATOM 0 HG13 ILE A 22 -1.484 -12.498 -0.021 1.00 3.20 H new ATOM 0 HG21 ILE A 22 0.251 -12.187 3.291 1.00 3.02 H new ATOM 0 HG22 ILE A 22 1.274 -10.818 2.795 1.00 3.02 H new ATOM 0 HG23 ILE A 22 -0.484 -10.599 2.971 1.00 3.02 H new ATOM 0 HD11 ILE A 22 -2.251 -14.159 1.658 1.00 3.31 H new ATOM 0 HD12 ILE A 22 -0.506 -14.337 1.357 1.00 3.31 H new ATOM 0 HD13 ILE A 22 -1.076 -13.521 2.833 1.00 3.31 H new ATOM 328 N ALA A 23 2.509 -9.834 0.596 1.00 2.81 N ATOM 329 CA ALA A 23 3.632 -8.941 1.015 1.00 2.73 C ATOM 330 C ALA A 23 3.587 -7.639 0.207 1.00 2.66 C ATOM 331 O ALA A 23 3.692 -6.560 0.756 1.00 2.59 O ATOM 332 CB ALA A 23 4.908 -9.733 0.715 1.00 2.79 C ATOM 0 H ALA A 23 2.794 -10.713 0.164 1.00 2.81 H new ATOM 0 HA ALA A 23 3.577 -8.663 2.067 1.00 2.73 H new ATOM 0 HB1 ALA A 23 5.779 -9.141 0.997 1.00 2.79 H new ATOM 0 HB2 ALA A 23 4.902 -10.662 1.284 1.00 2.79 H new ATOM 0 HB3 ALA A 23 4.953 -9.960 -0.350 1.00 2.79 H new ATOM 338 N ILE A 24 3.408 -7.732 -1.089 1.00 2.71 N ATOM 339 CA ILE A 24 3.327 -6.494 -1.928 1.00 2.69 C ATOM 340 C ILE A 24 2.159 -5.631 -1.439 1.00 2.64 C ATOM 341 O ILE A 24 2.291 -4.432 -1.259 1.00 2.57 O ATOM 342 CB ILE A 24 3.085 -6.991 -3.361 1.00 2.80 C ATOM 343 CG1 ILE A 24 4.376 -7.602 -3.922 1.00 2.86 C ATOM 344 CG2 ILE A 24 2.646 -5.825 -4.253 1.00 2.85 C ATOM 345 CD1 ILE A 24 5.452 -6.521 -4.071 1.00 2.86 C ATOM 0 H ILE A 24 3.315 -8.609 -1.601 1.00 2.71 H new ATOM 0 HA ILE A 24 4.228 -5.883 -1.872 1.00 2.69 H new ATOM 0 HB ILE A 24 2.300 -7.747 -3.345 1.00 2.80 H new ATOM 0 HG12 ILE A 24 4.732 -8.391 -3.259 1.00 2.86 H new ATOM 0 HG13 ILE A 24 4.178 -8.064 -4.889 1.00 2.86 H new ATOM 0 HG21 ILE A 24 2.477 -6.187 -5.267 1.00 2.85 H new ATOM 0 HG22 ILE A 24 1.724 -5.395 -3.862 1.00 2.85 H new ATOM 0 HG23 ILE A 24 3.425 -5.063 -4.265 1.00 2.85 H new ATOM 0 HD11 ILE A 24 6.363 -6.967 -4.470 1.00 2.86 H new ATOM 0 HD12 ILE A 24 5.098 -5.747 -4.752 1.00 2.86 H new ATOM 0 HD13 ILE A 24 5.661 -6.079 -3.097 1.00 2.86 H new ATOM 357 N ALA A 25 1.021 -6.239 -1.202 1.00 2.71 N ATOM 358 CA ALA A 25 -0.155 -5.467 -0.701 1.00 2.71 C ATOM 359 C ALA A 25 0.156 -4.889 0.680 1.00 2.61 C ATOM 360 O ALA A 25 -0.080 -3.723 0.940 1.00 2.55 O ATOM 361 CB ALA A 25 -1.303 -6.478 -0.633 1.00 2.86 C ATOM 0 H ALA A 25 0.858 -7.237 -1.335 1.00 2.71 H new ATOM 0 HA ALA A 25 -0.409 -4.625 -1.346 1.00 2.71 H new ATOM 0 HB1 ALA A 25 -2.204 -5.982 -0.272 1.00 2.86 H new ATOM 0 HB2 ALA A 25 -1.487 -6.887 -1.627 1.00 2.86 H new ATOM 0 HB3 ALA A 25 -1.036 -7.286 0.048 1.00 2.86 H new ATOM 367 N ALA A 26 0.713 -5.685 1.555 1.00 2.61 N ATOM 368 CA ALA A 26 1.074 -5.167 2.912 1.00 2.55 C ATOM 369 C ALA A 26 2.087 -4.031 2.751 1.00 2.44 C ATOM 370 O ALA A 26 1.987 -3.003 3.391 1.00 2.40 O ATOM 371 CB ALA A 26 1.690 -6.355 3.659 1.00 2.61 C ATOM 0 H ALA A 26 0.934 -6.667 1.392 1.00 2.61 H new ATOM 0 HA ALA A 26 0.217 -4.772 3.458 1.00 2.55 H new ATOM 0 HB1 ALA A 26 1.978 -6.044 4.663 1.00 2.61 H new ATOM 0 HB2 ALA A 26 0.960 -7.162 3.724 1.00 2.61 H new ATOM 0 HB3 ALA A 26 2.571 -6.705 3.121 1.00 2.61 H new ATOM 377 N LEU A 27 3.038 -4.203 1.867 1.00 2.42 N ATOM 378 CA LEU A 27 4.044 -3.139 1.609 1.00 2.34 C ATOM 379 C LEU A 27 3.322 -1.884 1.112 1.00 2.29 C ATOM 380 O LEU A 27 3.471 -0.810 1.667 1.00 2.22 O ATOM 381 CB LEU A 27 4.931 -3.744 0.516 1.00 2.42 C ATOM 382 CG LEU A 27 6.087 -2.812 0.161 1.00 2.41 C ATOM 383 CD1 LEU A 27 5.580 -1.632 -0.669 1.00 2.44 C ATOM 384 CD2 LEU A 27 6.759 -2.295 1.435 1.00 2.46 C ATOM 0 H LEU A 27 3.158 -5.048 1.308 1.00 2.42 H new ATOM 0 HA LEU A 27 4.621 -2.844 2.485 1.00 2.34 H new ATOM 0 HB2 LEU A 27 5.325 -4.703 0.853 1.00 2.42 H new ATOM 0 HB3 LEU A 27 4.333 -3.940 -0.374 1.00 2.42 H new ATOM 0 HG LEU A 27 6.816 -3.372 -0.425 1.00 2.41 H new ATOM 0 HD11 LEU A 27 6.414 -0.975 -0.915 1.00 2.44 H new ATOM 0 HD12 LEU A 27 5.126 -2.002 -1.588 1.00 2.44 H new ATOM 0 HD13 LEU A 27 4.838 -1.076 -0.096 1.00 2.44 H new ATOM 0 HD21 LEU A 27 7.582 -1.631 1.169 1.00 2.46 H new ATOM 0 HD22 LEU A 27 6.031 -1.748 2.034 1.00 2.46 H new ATOM 0 HD23 LEU A 27 7.144 -3.137 2.011 1.00 2.46 H new ATOM 396 N GLY A 28 2.519 -2.024 0.081 1.00 2.35 N ATOM 397 CA GLY A 28 1.756 -0.850 -0.443 1.00 2.35 C ATOM 398 C GLY A 28 0.934 -0.243 0.698 1.00 2.30 C ATOM 399 O GLY A 28 0.900 0.963 0.875 1.00 2.24 O ATOM 0 H GLY A 28 2.361 -2.900 -0.417 1.00 2.35 H new ATOM 0 HA2 GLY A 28 2.441 -0.107 -0.851 1.00 2.35 H new ATOM 0 HA3 GLY A 28 1.100 -1.159 -1.257 1.00 2.35 H new ATOM 403 N ALA A 29 0.290 -1.071 1.492 1.00 2.35 N ATOM 404 CA ALA A 29 -0.510 -0.541 2.638 1.00 2.35 C ATOM 405 C ALA A 29 0.412 0.182 3.621 1.00 2.24 C ATOM 406 O ALA A 29 0.117 1.272 4.075 1.00 2.19 O ATOM 407 CB ALA A 29 -1.154 -1.771 3.285 1.00 2.50 C ATOM 0 H ALA A 29 0.286 -2.086 1.393 1.00 2.35 H new ATOM 0 HA ALA A 29 -1.265 0.180 2.324 1.00 2.35 H new ATOM 0 HB1 ALA A 29 -1.759 -1.459 4.137 1.00 2.50 H new ATOM 0 HB2 ALA A 29 -1.787 -2.276 2.556 1.00 2.50 H new ATOM 0 HB3 ALA A 29 -0.375 -2.454 3.624 1.00 2.50 H new ATOM 413 N LEU A 30 1.537 -0.406 3.927 1.00 2.22 N ATOM 414 CA LEU A 30 2.503 0.252 4.860 1.00 2.16 C ATOM 415 C LEU A 30 2.924 1.610 4.286 1.00 2.05 C ATOM 416 O LEU A 30 3.013 2.592 4.996 1.00 2.01 O ATOM 417 CB LEU A 30 3.705 -0.698 4.936 1.00 2.22 C ATOM 418 CG LEU A 30 3.501 -1.700 6.074 1.00 2.37 C ATOM 419 CD1 LEU A 30 4.372 -2.932 5.833 1.00 2.49 C ATOM 420 CD2 LEU A 30 3.899 -1.050 7.399 1.00 2.47 C ATOM 0 H LEU A 30 1.831 -1.316 3.571 1.00 2.22 H new ATOM 0 HA LEU A 30 2.075 0.432 5.846 1.00 2.16 H new ATOM 0 HB2 LEU A 30 3.823 -1.227 3.990 1.00 2.22 H new ATOM 0 HB3 LEU A 30 4.620 -0.129 5.099 1.00 2.22 H new ATOM 0 HG LEU A 30 2.453 -1.998 6.112 1.00 2.37 H new ATOM 0 HD11 LEU A 30 4.226 -3.645 6.644 1.00 2.49 H new ATOM 0 HD12 LEU A 30 4.092 -3.396 4.887 1.00 2.49 H new ATOM 0 HD13 LEU A 30 5.420 -2.635 5.795 1.00 2.49 H new ATOM 0 HD21 LEU A 30 3.754 -1.762 8.211 1.00 2.47 H new ATOM 0 HD22 LEU A 30 4.947 -0.754 7.358 1.00 2.47 H new ATOM 0 HD23 LEU A 30 3.280 -0.170 7.573 1.00 2.47 H new ATOM 432 N ILE A 31 3.157 1.672 2.997 1.00 2.04 N ATOM 433 CA ILE A 31 3.550 2.970 2.362 1.00 1.96 C ATOM 434 C ILE A 31 2.356 3.932 2.373 1.00 1.94 C ATOM 435 O ILE A 31 2.499 5.107 2.651 1.00 1.89 O ATOM 436 CB ILE A 31 3.971 2.604 0.934 1.00 2.01 C ATOM 437 CG1 ILE A 31 5.353 1.945 0.998 1.00 2.11 C ATOM 438 CG2 ILE A 31 4.026 3.864 0.060 1.00 2.09 C ATOM 439 CD1 ILE A 31 5.976 1.869 -0.396 1.00 2.31 C ATOM 0 H ILE A 31 3.092 0.880 2.357 1.00 2.04 H new ATOM 0 HA ILE A 31 4.359 3.475 2.890 1.00 1.96 H new ATOM 0 HB ILE A 31 3.248 1.917 0.494 1.00 2.01 H new ATOM 0 HG12 ILE A 31 6.003 2.514 1.663 1.00 2.11 H new ATOM 0 HG13 ILE A 31 5.265 0.943 1.419 1.00 2.11 H new ATOM 0 HG21 ILE A 31 4.326 3.592 -0.952 1.00 2.09 H new ATOM 0 HG22 ILE A 31 3.042 4.332 0.033 1.00 2.09 H new ATOM 0 HG23 ILE A 31 4.749 4.565 0.477 1.00 2.09 H new ATOM 0 HD11 ILE A 31 6.957 1.398 -0.331 1.00 2.31 H new ATOM 0 HD12 ILE A 31 5.333 1.280 -1.050 1.00 2.31 H new ATOM 0 HD13 ILE A 31 6.083 2.875 -0.802 1.00 2.31 H new ATOM 451 N LEU A 32 1.178 3.432 2.096 1.00 2.03 N ATOM 452 CA LEU A 32 -0.037 4.306 2.114 1.00 2.07 C ATOM 453 C LEU A 32 -0.322 4.792 3.544 1.00 2.06 C ATOM 454 O LEU A 32 -0.644 5.938 3.766 1.00 2.05 O ATOM 455 CB LEU A 32 -1.177 3.413 1.616 1.00 2.22 C ATOM 456 CG LEU A 32 -1.766 4.000 0.332 1.00 2.76 C ATOM 457 CD1 LEU A 32 -1.537 3.025 -0.822 1.00 3.29 C ATOM 458 CD2 LEU A 32 -3.267 4.227 0.518 1.00 2.94 C ATOM 0 H LEU A 32 1.004 2.456 1.858 1.00 2.03 H new ATOM 0 HA LEU A 32 0.086 5.194 1.495 1.00 2.07 H new ATOM 0 HB2 LEU A 32 -0.808 2.404 1.431 1.00 2.22 H new ATOM 0 HB3 LEU A 32 -1.951 3.334 2.380 1.00 2.22 H new ATOM 0 HG LEU A 32 -1.280 4.950 0.108 1.00 2.76 H new ATOM 0 HD11 LEU A 32 -1.956 3.441 -1.738 1.00 3.29 H new ATOM 0 HD12 LEU A 32 -0.467 2.862 -0.953 1.00 3.29 H new ATOM 0 HD13 LEU A 32 -2.024 2.076 -0.599 1.00 3.29 H new ATOM 0 HD21 LEU A 32 -3.688 4.645 -0.396 1.00 2.94 H new ATOM 0 HD22 LEU A 32 -3.754 3.277 0.740 1.00 2.94 H new ATOM 0 HD23 LEU A 32 -3.431 4.920 1.343 1.00 2.94 H new ATOM 470 N GLY A 33 -0.210 3.924 4.519 1.00 2.11 N ATOM 471 CA GLY A 33 -0.480 4.341 5.931 1.00 2.16 C ATOM 472 C GLY A 33 0.639 5.260 6.446 1.00 2.06 C ATOM 473 O GLY A 33 0.384 6.204 7.166 1.00 2.08 O ATOM 0 H GLY A 33 0.056 2.947 4.399 1.00 2.11 H new ATOM 0 HA2 GLY A 33 -1.438 4.859 5.986 1.00 2.16 H new ATOM 0 HA3 GLY A 33 -0.557 3.460 6.568 1.00 2.16 H new ATOM 477 N CYS A 34 1.874 4.984 6.102 1.00 1.98 N ATOM 478 CA CYS A 34 3.003 5.840 6.598 1.00 1.93 C ATOM 479 C CYS A 34 3.192 7.101 5.737 1.00 1.79 C ATOM 480 O CYS A 34 3.592 8.135 6.236 1.00 1.80 O ATOM 481 CB CYS A 34 4.249 4.952 6.519 1.00 1.97 C ATOM 482 SG CYS A 34 5.045 4.885 8.143 1.00 2.36 S ATOM 0 H CYS A 34 2.150 4.207 5.502 1.00 1.98 H new ATOM 0 HA CYS A 34 2.805 6.195 7.610 1.00 1.93 H new ATOM 0 HB2 CYS A 34 3.974 3.948 6.195 1.00 1.97 H new ATOM 0 HB3 CYS A 34 4.944 5.347 5.777 1.00 1.97 H new ATOM 0 HG CYS A 34 6.101 4.130 8.078 1.00 2.36 H new ATOM 488 N TRP A 35 2.936 7.030 4.454 1.00 1.71 N ATOM 489 CA TRP A 35 3.139 8.240 3.591 1.00 1.60 C ATOM 490 C TRP A 35 1.862 8.644 2.833 1.00 1.64 C ATOM 491 O TRP A 35 1.918 9.442 1.913 1.00 1.58 O ATOM 492 CB TRP A 35 4.236 7.830 2.610 1.00 1.55 C ATOM 493 CG TRP A 35 5.563 7.874 3.298 1.00 1.59 C ATOM 494 CD1 TRP A 35 6.056 8.935 3.977 1.00 1.64 C ATOM 495 CD2 TRP A 35 6.572 6.829 3.382 1.00 1.76 C ATOM 496 NE1 TRP A 35 7.307 8.609 4.471 1.00 1.77 N ATOM 497 CE2 TRP A 35 7.667 7.320 4.130 1.00 1.85 C ATOM 498 CE3 TRP A 35 6.643 5.517 2.885 1.00 1.96 C ATOM 499 CZ2 TRP A 35 8.792 6.534 4.380 1.00 2.10 C ATOM 500 CZ3 TRP A 35 7.774 4.722 3.133 1.00 2.25 C ATOM 501 CH2 TRP A 35 8.846 5.230 3.878 1.00 2.30 C ATOM 0 H TRP A 35 2.599 6.198 3.969 1.00 1.71 H new ATOM 0 HA TRP A 35 3.404 9.111 4.191 1.00 1.60 H new ATOM 0 HB2 TRP A 35 4.044 6.826 2.232 1.00 1.55 H new ATOM 0 HB3 TRP A 35 4.238 8.500 1.750 1.00 1.55 H new ATOM 0 HD1 TRP A 35 5.555 9.882 4.112 1.00 1.64 H new ATOM 0 HE1 TRP A 35 7.890 9.242 5.019 1.00 1.77 H new ATOM 0 HE3 TRP A 35 5.822 5.117 2.308 1.00 1.96 H new ATOM 0 HZ2 TRP A 35 9.615 6.930 4.957 1.00 2.10 H new ATOM 0 HZ3 TRP A 35 7.817 3.714 2.747 1.00 2.25 H new ATOM 0 HH2 TRP A 35 9.714 4.615 4.065 1.00 2.30 H new ATOM 512 N CYS A 36 0.720 8.111 3.208 1.00 1.80 N ATOM 513 CA CYS A 36 -0.573 8.464 2.523 1.00 1.94 C ATOM 514 C CYS A 36 -0.580 8.017 1.047 1.00 1.98 C ATOM 515 O CYS A 36 -1.396 7.210 0.644 1.00 2.09 O ATOM 516 CB CYS A 36 -0.691 9.989 2.637 1.00 1.92 C ATOM 517 SG CYS A 36 -2.230 10.409 3.493 1.00 2.49 S ATOM 0 H CYS A 36 0.626 7.438 3.969 1.00 1.80 H new ATOM 0 HA CYS A 36 -1.417 7.954 2.987 1.00 1.94 H new ATOM 0 HB2 CYS A 36 0.163 10.391 3.182 1.00 1.92 H new ATOM 0 HB3 CYS A 36 -0.678 10.441 1.645 1.00 1.92 H new ATOM 0 HG CYS A 36 -2.772 11.446 2.927 1.00 2.49 H new ATOM 523 N TYR A 37 0.313 8.538 0.246 1.00 1.96 N ATOM 524 CA TYR A 37 0.363 8.157 -1.202 1.00 2.08 C ATOM 525 C TYR A 37 1.717 7.524 -1.541 1.00 1.90 C ATOM 526 O TYR A 37 1.834 6.325 -1.687 1.00 2.07 O ATOM 527 CB TYR A 37 0.189 9.477 -1.954 1.00 2.11 C ATOM 528 CG TYR A 37 -1.164 9.514 -2.607 1.00 2.79 C ATOM 529 CD1 TYR A 37 -1.353 8.932 -3.865 1.00 3.32 C ATOM 530 CD2 TYR A 37 -2.231 10.143 -1.960 1.00 3.41 C ATOM 531 CE1 TYR A 37 -2.611 8.977 -4.471 1.00 4.03 C ATOM 532 CE2 TYR A 37 -3.489 10.191 -2.571 1.00 4.19 C ATOM 533 CZ TYR A 37 -3.675 9.608 -3.825 1.00 4.36 C ATOM 534 OH TYR A 37 -4.911 9.665 -4.432 1.00 5.18 O ATOM 0 H TYR A 37 1.017 9.218 0.534 1.00 1.96 H new ATOM 0 HA TYR A 37 -0.401 7.426 -1.465 1.00 2.08 H new ATOM 0 HB2 TYR A 37 0.294 10.315 -1.265 1.00 2.11 H new ATOM 0 HB3 TYR A 37 0.970 9.583 -2.707 1.00 2.11 H new ATOM 0 HD1 TYR A 37 -0.528 8.449 -4.367 1.00 3.32 H new ATOM 0 HD2 TYR A 37 -2.085 10.592 -0.989 1.00 3.41 H new ATOM 0 HE1 TYR A 37 -2.760 8.523 -5.440 1.00 4.03 H new ATOM 0 HE2 TYR A 37 -4.314 10.678 -2.073 1.00 4.19 H new ATOM 0 HH TYR A 37 -5.541 10.137 -3.848 1.00 5.18 H new ATOM 544 N LEU A 38 2.744 8.330 -1.650 1.00 1.66 N ATOM 545 CA LEU A 38 4.104 7.791 -1.959 1.00 1.62 C ATOM 546 C LEU A 38 5.039 8.123 -0.795 1.00 1.46 C ATOM 547 O LEU A 38 5.646 7.250 -0.206 1.00 1.57 O ATOM 548 CB LEU A 38 4.600 8.463 -3.266 1.00 1.62 C ATOM 549 CG LEU A 38 3.517 9.325 -3.932 1.00 1.58 C ATOM 550 CD1 LEU A 38 4.185 10.383 -4.810 1.00 1.81 C ATOM 551 CD2 LEU A 38 2.623 8.440 -4.804 1.00 1.82 C ATOM 0 H LEU A 38 2.698 9.343 -1.538 1.00 1.66 H new ATOM 0 HA LEU A 38 4.081 6.709 -2.093 1.00 1.62 H new ATOM 0 HB2 LEU A 38 5.468 9.083 -3.045 1.00 1.62 H new ATOM 0 HB3 LEU A 38 4.928 7.693 -3.965 1.00 1.62 H new ATOM 0 HG LEU A 38 2.914 9.809 -3.164 1.00 1.58 H new ATOM 0 HD11 LEU A 38 3.420 10.997 -5.285 1.00 1.81 H new ATOM 0 HD12 LEU A 38 4.827 11.014 -4.195 1.00 1.81 H new ATOM 0 HD13 LEU A 38 4.785 9.893 -5.577 1.00 1.81 H new ATOM 0 HD21 LEU A 38 1.855 9.052 -5.276 1.00 1.82 H new ATOM 0 HD22 LEU A 38 3.227 7.958 -5.573 1.00 1.82 H new ATOM 0 HD23 LEU A 38 2.150 7.678 -4.184 1.00 1.82 H new ATOM 563 N ARG A 39 5.139 9.381 -0.457 1.00 1.32 N ATOM 564 CA ARG A 39 6.018 9.794 0.681 1.00 1.33 C ATOM 565 C ARG A 39 5.478 11.060 1.366 1.00 1.28 C ATOM 566 O ARG A 39 6.232 11.889 1.846 1.00 1.37 O ATOM 567 CB ARG A 39 7.384 10.050 0.051 1.00 1.45 C ATOM 568 CG ARG A 39 8.215 8.766 0.134 1.00 1.69 C ATOM 569 CD ARG A 39 9.697 9.120 0.250 1.00 1.72 C ATOM 570 NE ARG A 39 10.169 9.258 -1.160 1.00 1.85 N ATOM 571 CZ ARG A 39 9.665 10.174 -1.928 1.00 1.74 C ATOM 572 NH1 ARG A 39 10.046 11.403 -1.796 1.00 1.70 N ATOM 573 NH2 ARG A 39 8.783 9.849 -2.822 1.00 1.80 N ATOM 0 H ARG A 39 4.648 10.145 -0.921 1.00 1.32 H new ATOM 0 HA ARG A 39 6.064 9.031 1.458 1.00 1.33 H new ATOM 0 HB2 ARG A 39 7.268 10.358 -0.988 1.00 1.45 H new ATOM 0 HB3 ARG A 39 7.892 10.863 0.570 1.00 1.45 H new ATOM 0 HG2 ARG A 39 7.904 8.175 0.995 1.00 1.69 H new ATOM 0 HG3 ARG A 39 8.045 8.153 -0.751 1.00 1.69 H new ATOM 0 HD2 ARG A 39 9.840 10.046 0.807 1.00 1.72 H new ATOM 0 HD3 ARG A 39 10.249 8.342 0.777 1.00 1.72 H new ATOM 0 HE ARG A 39 10.889 8.631 -1.520 1.00 1.85 H new ATOM 0 HH11 ARG A 39 10.740 11.649 -1.090 1.00 1.70 H new ATOM 0 HH12 ARG A 39 9.652 12.126 -2.398 1.00 1.70 H new ATOM 0 HH21 ARG A 39 8.489 8.877 -2.919 1.00 1.80 H new ATOM 0 HH22 ARG A 39 8.384 10.565 -3.428 1.00 1.80 H new ATOM 587 N LEU A 40 4.180 11.208 1.437 1.00 1.26 N ATOM 588 CA LEU A 40 3.603 12.411 2.110 1.00 1.32 C ATOM 589 C LEU A 40 3.623 12.195 3.627 1.00 1.51 C ATOM 590 O LEU A 40 2.677 11.707 4.212 1.00 1.67 O ATOM 591 CB LEU A 40 2.171 12.520 1.577 1.00 1.37 C ATOM 592 CG LEU A 40 2.165 13.383 0.317 1.00 1.43 C ATOM 593 CD1 LEU A 40 2.466 12.515 -0.906 1.00 1.54 C ATOM 594 CD2 LEU A 40 0.792 14.028 0.154 1.00 1.51 C ATOM 0 H LEU A 40 3.497 10.551 1.060 1.00 1.26 H new ATOM 0 HA LEU A 40 4.162 13.325 1.910 1.00 1.32 H new ATOM 0 HB2 LEU A 40 1.777 11.528 1.354 1.00 1.37 H new ATOM 0 HB3 LEU A 40 1.521 12.958 2.335 1.00 1.37 H new ATOM 0 HG LEU A 40 2.927 14.157 0.406 1.00 1.43 H new ATOM 0 HD11 LEU A 40 2.461 13.135 -1.802 1.00 1.54 H new ATOM 0 HD12 LEU A 40 3.446 12.052 -0.791 1.00 1.54 H new ATOM 0 HD13 LEU A 40 1.706 11.739 -0.997 1.00 1.54 H new ATOM 0 HD21 LEU A 40 0.784 14.645 -0.745 1.00 1.51 H new ATOM 0 HD22 LEU A 40 0.033 13.251 0.067 1.00 1.51 H new ATOM 0 HD23 LEU A 40 0.577 14.650 1.023 1.00 1.51 H new ATOM 606 N GLN A 41 4.717 12.529 4.263 1.00 1.61 N ATOM 607 CA GLN A 41 4.822 12.319 5.739 1.00 1.84 C ATOM 608 C GLN A 41 4.598 13.624 6.524 1.00 1.95 C ATOM 609 O GLN A 41 4.863 13.686 7.712 1.00 2.17 O ATOM 610 CB GLN A 41 6.248 11.808 5.947 1.00 1.98 C ATOM 611 CG GLN A 41 6.328 11.051 7.276 1.00 2.24 C ATOM 612 CD GLN A 41 7.310 11.749 8.220 1.00 2.46 C ATOM 613 OE1 GLN A 41 7.623 12.914 8.053 1.00 2.49 O ATOM 614 NE2 GLN A 41 7.812 11.083 9.214 1.00 2.84 N ATOM 0 H GLN A 41 5.542 12.938 3.824 1.00 1.61 H new ATOM 0 HA GLN A 41 4.062 11.626 6.101 1.00 1.84 H new ATOM 0 HB2 GLN A 41 6.535 11.153 5.125 1.00 1.98 H new ATOM 0 HB3 GLN A 41 6.949 12.643 5.949 1.00 1.98 H new ATOM 0 HG2 GLN A 41 5.341 11.003 7.736 1.00 2.24 H new ATOM 0 HG3 GLN A 41 6.648 10.024 7.100 1.00 2.24 H new ATOM 0 HE21 GLN A 41 7.552 10.107 9.357 1.00 2.84 H new ATOM 0 HE22 GLN A 41 8.466 11.535 9.852 1.00 2.84 H new ATOM 623 N ARG A 42 4.114 14.661 5.888 1.00 1.86 N ATOM 624 CA ARG A 42 3.882 15.943 6.619 1.00 2.02 C ATOM 625 C ARG A 42 2.412 16.379 6.459 1.00 2.01 C ATOM 626 O ARG A 42 1.510 15.599 6.693 1.00 2.12 O ATOM 627 CB ARG A 42 4.860 16.933 5.969 1.00 1.99 C ATOM 628 CG ARG A 42 5.226 18.034 6.972 1.00 2.23 C ATOM 629 CD ARG A 42 6.752 18.141 7.078 1.00 2.41 C ATOM 630 NE ARG A 42 7.115 17.367 8.305 1.00 2.58 N ATOM 631 CZ ARG A 42 6.961 16.078 8.338 1.00 2.47 C ATOM 632 NH1 ARG A 42 7.762 15.312 7.670 1.00 2.48 N ATOM 633 NH2 ARG A 42 6.008 15.561 9.041 1.00 2.45 N ATOM 0 H ARG A 42 3.870 14.675 4.898 1.00 1.86 H new ATOM 0 HA ARG A 42 4.053 15.870 7.693 1.00 2.02 H new ATOM 0 HB2 ARG A 42 5.760 16.410 5.645 1.00 1.99 H new ATOM 0 HB3 ARG A 42 4.409 17.373 5.080 1.00 1.99 H new ATOM 0 HG2 ARG A 42 4.805 18.987 6.652 1.00 2.23 H new ATOM 0 HG3 ARG A 42 4.798 17.808 7.949 1.00 2.23 H new ATOM 0 HD2 ARG A 42 7.238 17.728 6.194 1.00 2.41 H new ATOM 0 HD3 ARG A 42 7.069 19.181 7.160 1.00 2.41 H new ATOM 0 HE ARG A 42 7.486 17.854 9.121 1.00 2.58 H new ATOM 0 HH11 ARG A 42 8.515 15.721 7.117 1.00 2.48 H new ATOM 0 HH12 ARG A 42 7.640 14.300 7.697 1.00 2.48 H new ATOM 0 HH21 ARG A 42 5.378 16.165 9.569 1.00 2.45 H new ATOM 0 HH22 ARG A 42 5.886 14.549 9.068 1.00 2.45 H new ATOM 647 N ILE A 43 2.162 17.606 6.064 1.00 1.99 N ATOM 648 CA ILE A 43 0.750 18.078 5.885 1.00 2.06 C ATOM 649 C ILE A 43 -0.024 17.135 4.959 1.00 1.91 C ATOM 650 O ILE A 43 -1.212 16.929 5.115 1.00 2.10 O ATOM 651 CB ILE A 43 0.866 19.464 5.242 1.00 2.01 C ATOM 652 CG1 ILE A 43 1.803 19.428 4.026 1.00 1.73 C ATOM 653 CG2 ILE A 43 1.413 20.454 6.261 1.00 2.31 C ATOM 654 CD1 ILE A 43 1.727 20.760 3.277 1.00 1.82 C ATOM 0 H ILE A 43 2.877 18.303 5.857 1.00 1.99 H new ATOM 0 HA ILE A 43 0.213 18.105 6.833 1.00 2.06 H new ATOM 0 HB ILE A 43 -0.126 19.772 4.912 1.00 2.01 H new ATOM 0 HG12 ILE A 43 2.827 19.239 4.349 1.00 1.73 H new ATOM 0 HG13 ILE A 43 1.522 18.610 3.362 1.00 1.73 H new ATOM 0 HG21 ILE A 43 1.495 21.440 5.803 1.00 2.31 H new ATOM 0 HG22 ILE A 43 0.739 20.506 7.116 1.00 2.31 H new ATOM 0 HG23 ILE A 43 2.397 20.126 6.595 1.00 2.31 H new ATOM 0 HD11 ILE A 43 2.393 20.731 2.415 1.00 1.82 H new ATOM 0 HD12 ILE A 43 0.704 20.930 2.940 1.00 1.82 H new ATOM 0 HD13 ILE A 43 2.029 21.569 3.942 1.00 1.82 H new ATOM 666 N SER A 44 0.655 16.587 3.989 1.00 1.63 N ATOM 667 CA SER A 44 0.014 15.658 2.998 1.00 1.57 C ATOM 668 C SER A 44 -0.931 16.455 2.091 1.00 1.58 C ATOM 669 O SER A 44 -2.076 16.099 1.879 1.00 1.81 O ATOM 670 CB SER A 44 -0.742 14.613 3.826 1.00 1.86 C ATOM 671 OG SER A 44 -0.754 13.375 3.122 1.00 1.93 O ATOM 0 H SER A 44 1.651 16.744 3.833 1.00 1.63 H new ATOM 0 HA SER A 44 0.742 15.171 2.349 1.00 1.57 H new ATOM 0 HB2 SER A 44 -0.265 14.487 4.798 1.00 1.86 H new ATOM 0 HB3 SER A 44 -1.762 14.948 4.013 1.00 1.86 H new ATOM 0 HG SER A 44 -1.351 12.745 3.577 1.00 1.93 H new ATOM 677 N GLN A 45 -0.435 17.546 1.565 1.00 1.41 N ATOM 678 CA GLN A 45 -1.250 18.424 0.669 1.00 1.46 C ATOM 679 C GLN A 45 -0.426 18.865 -0.559 1.00 1.22 C ATOM 680 O GLN A 45 -0.961 19.023 -1.645 1.00 1.21 O ATOM 681 CB GLN A 45 -1.604 19.644 1.533 1.00 1.68 C ATOM 682 CG GLN A 45 -2.401 19.210 2.774 1.00 1.99 C ATOM 683 CD GLN A 45 -3.890 19.468 2.550 1.00 1.93 C ATOM 684 OE1 GLN A 45 -4.584 18.625 1.846 1.00 2.29 O flip ATOM 685 NE2 GLN A 45 -4.429 20.442 3.031 1.00 1.88 N flip ATOM 0 H GLN A 45 0.519 17.872 1.722 1.00 1.41 H new ATOM 0 HA GLN A 45 -2.133 17.911 0.288 1.00 1.46 H new ATOM 0 HB2 GLN A 45 -0.692 20.157 1.840 1.00 1.68 H new ATOM 0 HB3 GLN A 45 -2.188 20.354 0.948 1.00 1.68 H new ATOM 0 HG2 GLN A 45 -2.232 18.152 2.974 1.00 1.99 H new ATOM 0 HG3 GLN A 45 -2.055 19.759 3.650 1.00 1.99 H new ATOM 0 HE21 GLN A 45 -3.885 21.105 3.584 1.00 1.88 H new ATOM 0 HE22 GLN A 45 -5.426 20.599 2.883 1.00 1.88 H new ATOM 694 N SER A 46 0.868 19.068 -0.390 1.00 1.14 N ATOM 695 CA SER A 46 1.734 19.504 -1.528 1.00 1.00 C ATOM 696 C SER A 46 3.155 18.928 -1.391 1.00 0.93 C ATOM 697 O SER A 46 4.129 19.659 -1.410 1.00 1.07 O ATOM 698 CB SER A 46 1.786 21.032 -1.428 1.00 1.15 C ATOM 699 OG SER A 46 0.475 21.568 -1.550 1.00 1.26 O ATOM 0 H SER A 46 1.358 18.947 0.497 1.00 1.14 H new ATOM 0 HA SER A 46 1.340 19.158 -2.483 1.00 1.00 H new ATOM 0 HB2 SER A 46 2.223 21.328 -0.474 1.00 1.15 H new ATOM 0 HB3 SER A 46 2.428 21.435 -2.211 1.00 1.15 H new ATOM 0 HG SER A 46 0.519 22.442 -1.992 1.00 1.26 H new ATOM 705 N GLU A 47 3.288 17.634 -1.250 1.00 0.88 N ATOM 706 CA GLU A 47 4.648 17.038 -1.110 1.00 0.92 C ATOM 707 C GLU A 47 4.916 16.003 -2.206 1.00 0.89 C ATOM 708 O GLU A 47 4.034 15.270 -2.616 1.00 0.89 O ATOM 709 CB GLU A 47 4.667 16.368 0.262 1.00 1.03 C ATOM 710 CG GLU A 47 4.524 17.428 1.361 1.00 1.18 C ATOM 711 CD GLU A 47 3.207 17.221 2.103 1.00 1.21 C ATOM 712 OE1 GLU A 47 2.181 17.586 1.555 1.00 1.20 O ATOM 713 OE2 GLU A 47 3.242 16.702 3.208 1.00 1.37 O ATOM 0 H GLU A 47 2.516 16.968 -1.226 1.00 0.88 H new ATOM 0 HA GLU A 47 5.421 17.801 -1.205 1.00 0.92 H new ATOM 0 HB2 GLU A 47 3.855 15.644 0.334 1.00 1.03 H new ATOM 0 HB3 GLU A 47 5.598 15.817 0.395 1.00 1.03 H new ATOM 0 HG2 GLU A 47 5.360 17.360 2.057 1.00 1.18 H new ATOM 0 HG3 GLU A 47 4.554 18.426 0.924 1.00 1.18 H new ATOM 720 N ASP A 48 6.143 15.939 -2.665 1.00 1.02 N ATOM 721 CA ASP A 48 6.526 14.955 -3.731 1.00 1.13 C ATOM 722 C ASP A 48 5.576 15.051 -4.941 1.00 1.13 C ATOM 723 O ASP A 48 5.069 16.115 -5.250 1.00 1.10 O ATOM 724 CB ASP A 48 6.432 13.586 -3.043 1.00 1.16 C ATOM 725 CG ASP A 48 7.624 12.726 -3.451 1.00 1.38 C ATOM 726 OD1 ASP A 48 8.740 13.090 -3.118 1.00 1.54 O ATOM 727 OD2 ASP A 48 7.406 11.699 -4.073 1.00 1.55 O ATOM 0 H ASP A 48 6.906 16.534 -2.343 1.00 1.02 H new ATOM 0 HA ASP A 48 7.523 15.141 -4.130 1.00 1.13 H new ATOM 0 HB2 ASP A 48 6.415 13.712 -1.960 1.00 1.16 H new ATOM 0 HB3 ASP A 48 5.501 13.091 -3.321 1.00 1.16 H new ATOM 732 N GLU A 49 5.342 13.952 -5.629 1.00 1.26 N ATOM 733 CA GLU A 49 4.429 13.959 -6.825 1.00 1.39 C ATOM 734 C GLU A 49 5.020 14.795 -7.977 1.00 1.53 C ATOM 735 O GLU A 49 5.285 14.283 -9.048 1.00 1.76 O ATOM 736 CB GLU A 49 3.109 14.564 -6.327 1.00 1.29 C ATOM 737 CG GLU A 49 1.945 14.034 -7.172 1.00 1.51 C ATOM 738 CD GLU A 49 1.554 12.632 -6.698 1.00 1.63 C ATOM 739 OE1 GLU A 49 1.020 12.523 -5.608 1.00 2.25 O ATOM 740 OE2 GLU A 49 1.795 11.689 -7.435 1.00 1.61 O ATOM 0 H GLU A 49 5.749 13.042 -5.411 1.00 1.26 H new ATOM 0 HA GLU A 49 4.289 12.955 -7.226 1.00 1.39 H new ATOM 0 HB2 GLU A 49 2.955 14.310 -5.278 1.00 1.29 H new ATOM 0 HB3 GLU A 49 3.150 15.651 -6.389 1.00 1.29 H new ATOM 0 HG2 GLU A 49 1.091 14.706 -7.092 1.00 1.51 H new ATOM 0 HG3 GLU A 49 2.231 14.005 -8.223 1.00 1.51 H new ATOM 747 N GLU A 50 5.228 16.069 -7.765 1.00 1.45 N ATOM 748 CA GLU A 50 5.797 16.931 -8.844 1.00 1.64 C ATOM 749 C GLU A 50 7.226 17.376 -8.483 1.00 1.75 C ATOM 750 O GLU A 50 7.871 16.801 -7.626 1.00 1.87 O ATOM 751 CB GLU A 50 4.844 18.128 -8.925 1.00 1.57 C ATOM 752 CG GLU A 50 4.593 18.495 -10.394 1.00 1.94 C ATOM 753 CD GLU A 50 5.212 19.858 -10.700 1.00 1.97 C ATOM 754 OE1 GLU A 50 6.414 19.909 -10.898 1.00 2.11 O ATOM 755 OE2 GLU A 50 4.481 20.830 -10.721 1.00 2.02 O ATOM 0 H GLU A 50 5.028 16.551 -6.889 1.00 1.45 H new ATOM 0 HA GLU A 50 5.876 16.410 -9.798 1.00 1.64 H new ATOM 0 HB2 GLU A 50 3.901 17.887 -8.435 1.00 1.57 H new ATOM 0 HB3 GLU A 50 5.270 18.980 -8.396 1.00 1.57 H new ATOM 0 HG2 GLU A 50 5.023 17.735 -11.047 1.00 1.94 H new ATOM 0 HG3 GLU A 50 3.522 18.518 -10.595 1.00 1.94 H new ATOM 762 N SER A 51 7.723 18.387 -9.141 1.00 1.89 N ATOM 763 CA SER A 51 9.111 18.875 -8.856 1.00 2.16 C ATOM 764 C SER A 51 9.138 20.404 -8.733 1.00 2.23 C ATOM 765 O SER A 51 9.821 20.956 -7.891 1.00 2.48 O ATOM 766 CB SER A 51 9.938 18.394 -10.054 1.00 2.52 C ATOM 767 OG SER A 51 10.909 19.378 -10.403 1.00 2.80 O ATOM 0 H SER A 51 7.228 18.902 -9.869 1.00 1.89 H new ATOM 0 HA SER A 51 9.502 18.497 -7.912 1.00 2.16 H new ATOM 0 HB2 SER A 51 10.432 17.454 -9.811 1.00 2.52 H new ATOM 0 HB3 SER A 51 9.283 18.200 -10.904 1.00 2.52 H new ATOM 0 HG SER A 51 11.434 19.063 -11.168 1.00 2.80 H new ATOM 773 N ILE A 52 8.394 21.086 -9.559 1.00 2.15 N ATOM 774 CA ILE A 52 8.357 22.580 -9.502 1.00 2.34 C ATOM 775 C ILE A 52 7.296 23.034 -8.500 1.00 2.19 C ATOM 776 O ILE A 52 7.563 23.805 -7.599 1.00 2.45 O ATOM 777 CB ILE A 52 7.961 23.023 -10.912 1.00 2.48 C ATOM 778 CG1 ILE A 52 8.945 22.460 -11.933 1.00 2.72 C ATOM 779 CG2 ILE A 52 7.973 24.549 -10.989 1.00 2.76 C ATOM 780 CD1 ILE A 52 8.244 22.339 -13.287 1.00 2.91 C ATOM 0 H ILE A 52 7.803 20.670 -10.279 1.00 2.15 H new ATOM 0 HA ILE A 52 9.311 23.004 -9.189 1.00 2.34 H new ATOM 0 HB ILE A 52 6.961 22.650 -11.133 1.00 2.48 H new ATOM 0 HG12 ILE A 52 9.815 23.112 -12.016 1.00 2.72 H new ATOM 0 HG13 ILE A 52 9.307 21.485 -11.608 1.00 2.72 H new ATOM 0 HG21 ILE A 52 7.691 24.865 -11.993 1.00 2.76 H new ATOM 0 HG22 ILE A 52 7.263 24.955 -10.268 1.00 2.76 H new ATOM 0 HG23 ILE A 52 8.973 24.917 -10.760 1.00 2.76 H new ATOM 0 HD11 ILE A 52 8.941 21.937 -14.023 1.00 2.91 H new ATOM 0 HD12 ILE A 52 7.388 21.671 -13.195 1.00 2.91 H new ATOM 0 HD13 ILE A 52 7.903 23.323 -13.609 1.00 2.91 H new ATOM 792 N VAL A 53 6.091 22.565 -8.667 1.00 1.92 N ATOM 793 CA VAL A 53 4.992 22.960 -7.740 1.00 1.92 C ATOM 794 C VAL A 53 4.932 21.978 -6.566 1.00 1.58 C ATOM 795 O VAL A 53 5.224 22.325 -5.439 1.00 1.80 O ATOM 796 CB VAL A 53 3.713 22.882 -8.589 1.00 2.02 C ATOM 797 CG1 VAL A 53 2.508 23.343 -7.770 1.00 2.29 C ATOM 798 CG2 VAL A 53 3.861 23.773 -9.823 1.00 2.40 C ATOM 0 H VAL A 53 5.818 21.921 -9.410 1.00 1.92 H new ATOM 0 HA VAL A 53 5.131 23.955 -7.316 1.00 1.92 H new ATOM 0 HB VAL A 53 3.558 21.849 -8.900 1.00 2.02 H new ATOM 0 HG11 VAL A 53 1.608 23.283 -8.382 1.00 2.29 H new ATOM 0 HG12 VAL A 53 2.396 22.702 -6.896 1.00 2.29 H new ATOM 0 HG13 VAL A 53 2.660 24.373 -7.447 1.00 2.29 H new ATOM 0 HG21 VAL A 53 2.953 23.716 -10.424 1.00 2.40 H new ATOM 0 HG22 VAL A 53 4.025 24.804 -9.510 1.00 2.40 H new ATOM 0 HG23 VAL A 53 4.710 23.435 -10.416 1.00 2.40 H new ATOM 808 N GLY A 54 4.542 20.759 -6.829 1.00 1.21 N ATOM 809 CA GLY A 54 4.443 19.735 -5.736 1.00 1.03 C ATOM 810 C GLY A 54 3.055 19.809 -5.084 1.00 0.91 C ATOM 811 O GLY A 54 2.704 18.990 -4.256 1.00 0.82 O ATOM 0 H GLY A 54 4.285 20.422 -7.757 1.00 1.21 H new ATOM 0 HA2 GLY A 54 4.612 18.738 -6.142 1.00 1.03 H new ATOM 0 HA3 GLY A 54 5.217 19.910 -4.989 1.00 1.03 H new ATOM 815 N ASP A 55 2.271 20.791 -5.458 1.00 1.13 N ATOM 816 CA ASP A 55 0.907 20.949 -4.883 1.00 1.12 C ATOM 817 C ASP A 55 -0.001 19.796 -5.322 1.00 1.18 C ATOM 818 O ASP A 55 0.229 19.150 -6.329 1.00 1.36 O ATOM 819 CB ASP A 55 0.405 22.285 -5.450 1.00 1.35 C ATOM 820 CG ASP A 55 -0.133 23.167 -4.327 1.00 1.57 C ATOM 821 OD1 ASP A 55 0.526 23.273 -3.307 1.00 1.81 O ATOM 822 OD2 ASP A 55 -1.195 23.728 -4.507 1.00 1.98 O ATOM 0 H ASP A 55 2.526 21.498 -6.148 1.00 1.13 H new ATOM 0 HA ASP A 55 0.911 20.937 -3.793 1.00 1.12 H new ATOM 0 HB2 ASP A 55 1.217 22.797 -5.967 1.00 1.35 H new ATOM 0 HB3 ASP A 55 -0.378 22.104 -6.187 1.00 1.35 H new ATOM 827 N GLY A 56 -1.031 19.541 -4.571 1.00 1.27 N ATOM 828 CA GLY A 56 -1.965 18.439 -4.923 1.00 1.55 C ATOM 829 C GLY A 56 -3.310 18.700 -4.256 1.00 1.59 C ATOM 830 O GLY A 56 -4.339 18.696 -4.899 1.00 1.82 O ATOM 0 H GLY A 56 -1.269 20.052 -3.721 1.00 1.27 H new ATOM 0 HA2 GLY A 56 -2.086 18.378 -6.005 1.00 1.55 H new ATOM 0 HA3 GLY A 56 -1.560 17.482 -4.594 1.00 1.55 H new ATOM 834 N GLU A 57 -3.307 18.926 -2.965 1.00 1.46 N ATOM 835 CA GLU A 57 -4.596 19.181 -2.254 1.00 1.56 C ATOM 836 C GLU A 57 -4.573 20.497 -1.446 1.00 1.42 C ATOM 837 O GLU A 57 -5.577 20.888 -0.885 1.00 1.59 O ATOM 838 CB GLU A 57 -4.753 17.983 -1.321 1.00 1.74 C ATOM 839 CG GLU A 57 -6.240 17.740 -1.042 1.00 1.85 C ATOM 840 CD GLU A 57 -6.858 16.941 -2.190 1.00 2.13 C ATOM 841 OE1 GLU A 57 -6.503 15.785 -2.346 1.00 2.50 O ATOM 842 OE2 GLU A 57 -7.686 17.497 -2.893 1.00 2.09 O ATOM 0 H GLU A 57 -2.474 18.945 -2.377 1.00 1.46 H new ATOM 0 HA GLU A 57 -5.422 19.291 -2.956 1.00 1.56 H new ATOM 0 HB2 GLU A 57 -4.308 17.097 -1.773 1.00 1.74 H new ATOM 0 HB3 GLU A 57 -4.222 18.165 -0.386 1.00 1.74 H new ATOM 0 HG2 GLU A 57 -6.360 17.198 -0.104 1.00 1.85 H new ATOM 0 HG3 GLU A 57 -6.759 18.692 -0.929 1.00 1.85 H new ATOM 849 N THR A 58 -3.454 21.182 -1.370 1.00 1.23 N ATOM 850 CA THR A 58 -3.413 22.462 -0.581 1.00 1.18 C ATOM 851 C THR A 58 -4.432 23.476 -1.128 1.00 1.27 C ATOM 852 O THR A 58 -5.226 24.027 -0.389 1.00 1.48 O ATOM 853 CB THR A 58 -1.979 22.988 -0.728 1.00 1.11 C ATOM 854 OG1 THR A 58 -1.108 22.162 0.026 1.00 1.25 O ATOM 855 CG2 THR A 58 -1.880 24.419 -0.202 1.00 1.24 C ATOM 0 H THR A 58 -2.575 20.916 -1.814 1.00 1.23 H new ATOM 0 HA THR A 58 -3.675 22.300 0.465 1.00 1.18 H new ATOM 0 HB THR A 58 -1.702 22.976 -1.782 1.00 1.11 H new ATOM 0 HG1 THR A 58 -0.324 21.933 -0.516 1.00 1.25 H new ATOM 0 HG21 THR A 58 -0.857 24.778 -0.313 1.00 1.24 H new ATOM 0 HG22 THR A 58 -2.554 25.062 -0.768 1.00 1.24 H new ATOM 0 HG23 THR A 58 -2.159 24.440 0.851 1.00 1.24 H new ATOM 863 N LYS A 59 -4.419 23.723 -2.414 1.00 1.25 N ATOM 864 CA LYS A 59 -5.394 24.699 -3.007 1.00 1.48 C ATOM 865 C LYS A 59 -6.032 24.125 -4.276 1.00 1.57 C ATOM 866 O LYS A 59 -6.444 24.847 -5.163 1.00 1.78 O ATOM 867 CB LYS A 59 -4.563 25.941 -3.328 1.00 1.69 C ATOM 868 CG LYS A 59 -3.402 25.555 -4.245 1.00 1.74 C ATOM 869 CD LYS A 59 -3.156 26.659 -5.276 1.00 2.25 C ATOM 870 CE LYS A 59 -1.740 26.513 -5.843 1.00 2.32 C ATOM 871 NZ LYS A 59 -1.721 25.173 -6.491 1.00 2.10 N ATOM 0 H LYS A 59 -3.778 23.293 -3.081 1.00 1.25 H new ATOM 0 HA LYS A 59 -6.215 24.923 -2.326 1.00 1.48 H new ATOM 0 HB2 LYS A 59 -5.186 26.694 -3.810 1.00 1.69 H new ATOM 0 HB3 LYS A 59 -4.182 26.384 -2.408 1.00 1.69 H new ATOM 0 HG2 LYS A 59 -2.501 25.391 -3.654 1.00 1.74 H new ATOM 0 HG3 LYS A 59 -3.626 24.616 -4.752 1.00 1.74 H new ATOM 0 HD2 LYS A 59 -3.890 26.594 -6.079 1.00 2.25 H new ATOM 0 HD3 LYS A 59 -3.276 27.639 -4.813 1.00 2.25 H new ATOM 0 HE2 LYS A 59 -1.519 27.302 -6.562 1.00 2.32 H new ATOM 0 HE3 LYS A 59 -0.990 26.581 -5.055 1.00 2.32 H new ATOM 0 HZ1 LYS A 59 -0.799 25.021 -6.947 1.00 2.10 H new ATOM 0 HZ2 LYS A 59 -1.877 24.438 -5.772 1.00 2.10 H new ATOM 0 HZ3 LYS A 59 -2.474 25.123 -7.207 1.00 2.10 H new ATOM 885 N GLU A 60 -6.119 22.833 -4.349 1.00 1.49 N ATOM 886 CA GLU A 60 -6.730 22.174 -5.535 1.00 1.68 C ATOM 887 C GLU A 60 -7.717 21.096 -5.086 1.00 1.73 C ATOM 888 O GLU A 60 -7.389 20.265 -4.258 1.00 1.76 O ATOM 889 CB GLU A 60 -5.560 21.533 -6.282 1.00 1.74 C ATOM 890 CG GLU A 60 -5.177 22.409 -7.477 1.00 2.10 C ATOM 891 CD GLU A 60 -3.928 23.225 -7.153 1.00 2.35 C ATOM 892 OE1 GLU A 60 -3.028 22.689 -6.530 1.00 3.24 O ATOM 893 OE2 GLU A 60 -3.884 24.385 -7.536 1.00 2.09 O ATOM 0 H GLU A 60 -5.788 22.192 -3.627 1.00 1.49 H new ATOM 0 HA GLU A 60 -7.279 22.880 -6.158 1.00 1.68 H new ATOM 0 HB2 GLU A 60 -4.707 21.418 -5.613 1.00 1.74 H new ATOM 0 HB3 GLU A 60 -5.835 20.535 -6.622 1.00 1.74 H new ATOM 0 HG2 GLU A 60 -4.996 21.785 -8.352 1.00 2.10 H new ATOM 0 HG3 GLU A 60 -6.002 23.076 -7.727 1.00 2.10 H new ATOM 900 N PRO A 61 -8.893 21.122 -5.661 1.00 1.84 N ATOM 901 CA PRO A 61 -9.923 20.108 -5.320 1.00 1.95 C ATOM 902 C PRO A 61 -9.553 18.755 -5.958 1.00 2.14 C ATOM 903 O PRO A 61 -10.338 18.147 -6.668 1.00 2.34 O ATOM 904 CB PRO A 61 -11.203 20.687 -5.923 1.00 2.08 C ATOM 905 CG PRO A 61 -10.742 21.582 -7.030 1.00 2.15 C ATOM 906 CD PRO A 61 -9.370 22.082 -6.664 1.00 1.97 C ATOM 0 HA PRO A 61 -10.022 19.919 -4.251 1.00 1.95 H new ATOM 0 HB2 PRO A 61 -11.854 19.898 -6.299 1.00 2.08 H new ATOM 0 HB3 PRO A 61 -11.773 21.242 -5.179 1.00 2.08 H new ATOM 0 HG2 PRO A 61 -10.713 21.040 -7.975 1.00 2.15 H new ATOM 0 HG3 PRO A 61 -11.432 22.416 -7.162 1.00 2.15 H new ATOM 0 HD2 PRO A 61 -8.712 22.111 -7.532 1.00 1.97 H new ATOM 0 HD3 PRO A 61 -9.409 23.094 -6.260 1.00 1.97 H new ATOM 914 N PHE A 62 -8.354 18.286 -5.704 1.00 2.14 N ATOM 915 CA PHE A 62 -7.899 16.987 -6.279 1.00 2.38 C ATOM 916 C PHE A 62 -8.766 15.846 -5.759 1.00 2.42 C ATOM 917 O PHE A 62 -9.292 15.062 -6.518 1.00 2.52 O ATOM 918 CB PHE A 62 -6.449 16.836 -5.813 1.00 2.50 C ATOM 919 CG PHE A 62 -5.756 15.772 -6.626 1.00 2.79 C ATOM 920 CD1 PHE A 62 -5.252 16.078 -7.894 1.00 3.18 C ATOM 921 CD2 PHE A 62 -5.618 14.480 -6.112 1.00 3.09 C ATOM 922 CE1 PHE A 62 -4.601 15.093 -8.646 1.00 3.50 C ATOM 923 CE2 PHE A 62 -4.968 13.494 -6.863 1.00 3.46 C ATOM 924 CZ PHE A 62 -4.463 13.799 -8.131 1.00 3.50 C ATOM 0 H PHE A 62 -7.666 18.756 -5.116 1.00 2.14 H new ATOM 0 HA PHE A 62 -7.977 16.962 -7.366 1.00 2.38 H new ATOM 0 HB2 PHE A 62 -5.924 17.785 -5.917 1.00 2.50 H new ATOM 0 HB3 PHE A 62 -6.423 16.572 -4.756 1.00 2.50 H new ATOM 0 HD1 PHE A 62 -5.365 17.075 -8.293 1.00 3.18 H new ATOM 0 HD2 PHE A 62 -6.013 14.242 -5.135 1.00 3.09 H new ATOM 0 HE1 PHE A 62 -4.206 15.331 -9.622 1.00 3.50 H new ATOM 0 HE2 PHE A 62 -4.856 12.497 -6.463 1.00 3.46 H new ATOM 0 HZ PHE A 62 -3.967 13.036 -8.713 1.00 3.50 H new ATOM 934 N LEU A 63 -8.939 15.765 -4.472 1.00 2.38 N ATOM 935 CA LEU A 63 -9.802 14.686 -3.900 1.00 2.42 C ATOM 936 C LEU A 63 -11.233 14.855 -4.414 1.00 2.27 C ATOM 937 O LEU A 63 -11.937 13.890 -4.652 1.00 2.32 O ATOM 938 CB LEU A 63 -9.741 14.868 -2.380 1.00 2.47 C ATOM 939 CG LEU A 63 -8.833 13.796 -1.777 1.00 2.77 C ATOM 940 CD1 LEU A 63 -8.450 14.190 -0.351 1.00 2.96 C ATOM 941 CD2 LEU A 63 -9.576 12.459 -1.756 1.00 2.95 C ATOM 0 H LEU A 63 -8.523 16.396 -3.788 1.00 2.38 H new ATOM 0 HA LEU A 63 -9.468 13.689 -4.187 1.00 2.42 H new ATOM 0 HB2 LEU A 63 -9.362 15.861 -2.136 1.00 2.47 H new ATOM 0 HB3 LEU A 63 -10.741 14.795 -1.953 1.00 2.47 H new ATOM 0 HG LEU A 63 -7.929 13.703 -2.379 1.00 2.77 H new ATOM 0 HD11 LEU A 63 -7.803 13.424 0.077 1.00 2.96 H new ATOM 0 HD12 LEU A 63 -7.923 15.144 -0.366 1.00 2.96 H new ATOM 0 HD13 LEU A 63 -9.351 14.283 0.255 1.00 2.96 H new ATOM 0 HD21 LEU A 63 -8.932 11.692 -1.327 1.00 2.95 H new ATOM 0 HD22 LEU A 63 -10.479 12.554 -1.153 1.00 2.95 H new ATOM 0 HD23 LEU A 63 -9.847 12.177 -2.773 1.00 2.95 H new ATOM 953 N LEU A 64 -11.648 16.078 -4.609 1.00 2.14 N ATOM 954 CA LEU A 64 -13.021 16.343 -5.131 1.00 2.11 C ATOM 955 C LEU A 64 -13.169 15.726 -6.526 1.00 2.16 C ATOM 956 O LEU A 64 -14.034 14.900 -6.755 1.00 2.20 O ATOM 957 CB LEU A 64 -13.141 17.870 -5.188 1.00 2.09 C ATOM 958 CG LEU A 64 -14.485 18.300 -4.600 1.00 2.40 C ATOM 959 CD1 LEU A 64 -14.257 19.366 -3.526 1.00 2.62 C ATOM 960 CD2 LEU A 64 -15.370 18.870 -5.711 1.00 2.73 C ATOM 0 H LEU A 64 -11.090 16.912 -4.427 1.00 2.14 H new ATOM 0 HA LEU A 64 -13.800 15.908 -4.506 1.00 2.11 H new ATOM 0 HB2 LEU A 64 -12.325 18.330 -4.631 1.00 2.09 H new ATOM 0 HB3 LEU A 64 -13.057 18.213 -6.219 1.00 2.09 H new ATOM 0 HG LEU A 64 -14.978 17.437 -4.152 1.00 2.40 H new ATOM 0 HD11 LEU A 64 -15.216 19.672 -3.108 1.00 2.62 H new ATOM 0 HD12 LEU A 64 -13.630 18.956 -2.734 1.00 2.62 H new ATOM 0 HD13 LEU A 64 -13.763 20.230 -3.970 1.00 2.62 H new ATOM 0 HD21 LEU A 64 -16.328 19.177 -5.292 1.00 2.73 H new ATOM 0 HD22 LEU A 64 -14.878 19.732 -6.161 1.00 2.73 H new ATOM 0 HD23 LEU A 64 -15.534 18.108 -6.472 1.00 2.73 H new ATOM 972 N VAL A 65 -12.323 16.104 -7.457 1.00 2.24 N ATOM 973 CA VAL A 65 -12.413 15.518 -8.827 1.00 2.41 C ATOM 974 C VAL A 65 -12.000 14.044 -8.789 1.00 2.53 C ATOM 975 O VAL A 65 -12.521 13.227 -9.528 1.00 2.66 O ATOM 976 CB VAL A 65 -11.467 16.344 -9.711 1.00 2.52 C ATOM 977 CG1 VAL A 65 -11.905 17.810 -9.708 1.00 2.46 C ATOM 978 CG2 VAL A 65 -10.024 16.245 -9.202 1.00 2.59 C ATOM 0 H VAL A 65 -11.579 16.789 -7.325 1.00 2.24 H new ATOM 0 HA VAL A 65 -13.429 15.553 -9.221 1.00 2.41 H new ATOM 0 HB VAL A 65 -11.510 15.947 -10.725 1.00 2.52 H new ATOM 0 HG11 VAL A 65 -11.231 18.392 -10.336 1.00 2.46 H new ATOM 0 HG12 VAL A 65 -12.921 17.887 -10.096 1.00 2.46 H new ATOM 0 HG13 VAL A 65 -11.876 18.196 -8.689 1.00 2.46 H new ATOM 0 HG21 VAL A 65 -9.371 16.837 -9.843 1.00 2.59 H new ATOM 0 HG22 VAL A 65 -9.972 16.623 -8.181 1.00 2.59 H new ATOM 0 HG23 VAL A 65 -9.703 15.204 -9.220 1.00 2.59 H new ATOM 988 N GLN A 66 -11.091 13.692 -7.914 1.00 2.55 N ATOM 989 CA GLN A 66 -10.667 12.266 -7.806 1.00 2.74 C ATOM 990 C GLN A 66 -11.872 11.418 -7.419 1.00 2.68 C ATOM 991 O GLN A 66 -12.223 10.474 -8.108 1.00 2.82 O ATOM 992 CB GLN A 66 -9.599 12.228 -6.708 1.00 2.83 C ATOM 993 CG GLN A 66 -8.209 12.372 -7.339 1.00 3.05 C ATOM 994 CD GLN A 66 -7.793 11.047 -7.981 1.00 3.36 C ATOM 995 OE1 GLN A 66 -8.527 10.480 -8.768 1.00 3.39 O ATOM 996 NE2 GLN A 66 -6.645 10.520 -7.681 1.00 3.68 N ATOM 0 H GLN A 66 -10.625 14.332 -7.271 1.00 2.55 H new ATOM 0 HA GLN A 66 -10.272 11.875 -8.744 1.00 2.74 H new ATOM 0 HB2 GLN A 66 -9.770 13.032 -5.992 1.00 2.83 H new ATOM 0 HB3 GLN A 66 -9.664 11.291 -6.156 1.00 2.83 H new ATOM 0 HG2 GLN A 66 -8.220 13.163 -8.089 1.00 3.05 H new ATOM 0 HG3 GLN A 66 -7.483 12.663 -6.580 1.00 3.05 H new ATOM 0 HE21 GLN A 66 -6.025 10.990 -7.022 1.00 3.68 H new ATOM 0 HE22 GLN A 66 -6.363 9.636 -8.105 1.00 3.68 H new ATOM 1005 N TYR A 67 -12.521 11.773 -6.340 1.00 2.51 N ATOM 1006 CA TYR A 67 -13.736 11.027 -5.897 1.00 2.47 C ATOM 1007 C TYR A 67 -14.846 11.208 -6.932 1.00 2.48 C ATOM 1008 O TYR A 67 -15.539 10.271 -7.282 1.00 2.58 O ATOM 1009 CB TYR A 67 -14.130 11.652 -4.556 1.00 2.33 C ATOM 1010 CG TYR A 67 -14.869 10.631 -3.724 1.00 2.29 C ATOM 1011 CD1 TYR A 67 -16.254 10.481 -3.866 1.00 2.20 C ATOM 1012 CD2 TYR A 67 -14.171 9.836 -2.809 1.00 2.63 C ATOM 1013 CE1 TYR A 67 -16.937 9.534 -3.092 1.00 2.37 C ATOM 1014 CE2 TYR A 67 -14.855 8.892 -2.036 1.00 2.78 C ATOM 1015 CZ TYR A 67 -16.238 8.742 -2.177 1.00 2.61 C ATOM 1016 OH TYR A 67 -16.911 7.815 -1.412 1.00 2.92 O ATOM 0 H TYR A 67 -12.258 12.556 -5.741 1.00 2.51 H new ATOM 0 HA TYR A 67 -13.559 9.956 -5.795 1.00 2.47 H new ATOM 0 HB2 TYR A 67 -13.241 11.994 -4.026 1.00 2.33 H new ATOM 0 HB3 TYR A 67 -14.759 12.527 -4.721 1.00 2.33 H new ATOM 0 HD1 TYR A 67 -16.795 11.095 -4.571 1.00 2.20 H new ATOM 0 HD2 TYR A 67 -13.103 9.951 -2.699 1.00 2.63 H new ATOM 0 HE1 TYR A 67 -18.005 9.416 -3.202 1.00 2.37 H new ATOM 0 HE2 TYR A 67 -14.315 8.279 -1.330 1.00 2.78 H new ATOM 0 HH TYR A 67 -16.276 7.349 -0.829 1.00 2.92 H new ATOM 1026 N SER A 68 -14.990 12.406 -7.444 1.00 2.42 N ATOM 1027 CA SER A 68 -16.027 12.668 -8.494 1.00 2.54 C ATOM 1028 C SER A 68 -15.815 11.702 -9.660 1.00 2.77 C ATOM 1029 O SER A 68 -16.754 11.269 -10.286 1.00 2.93 O ATOM 1030 CB SER A 68 -15.809 14.109 -8.953 1.00 2.53 C ATOM 1031 OG SER A 68 -16.141 14.995 -7.893 1.00 2.40 O ATOM 0 H SER A 68 -14.432 13.218 -7.179 1.00 2.42 H new ATOM 0 HA SER A 68 -17.040 12.526 -8.117 1.00 2.54 H new ATOM 0 HB2 SER A 68 -14.771 14.254 -9.252 1.00 2.53 H new ATOM 0 HB3 SER A 68 -16.425 14.322 -9.827 1.00 2.53 H new ATOM 0 HG SER A 68 -15.320 15.315 -7.464 1.00 2.40 H new ATOM 1037 N ALA A 69 -14.582 11.350 -9.937 1.00 2.85 N ATOM 1038 CA ALA A 69 -14.306 10.383 -11.040 1.00 3.13 C ATOM 1039 C ALA A 69 -14.542 8.953 -10.535 1.00 3.17 C ATOM 1040 O ALA A 69 -15.096 8.123 -11.229 1.00 3.34 O ATOM 1041 CB ALA A 69 -12.836 10.601 -11.409 1.00 3.29 C ATOM 0 H ALA A 69 -13.756 11.692 -9.445 1.00 2.85 H new ATOM 0 HA ALA A 69 -14.955 10.531 -11.903 1.00 3.13 H new ATOM 0 HB1 ALA A 69 -12.559 9.923 -12.216 1.00 3.29 H new ATOM 0 HB2 ALA A 69 -12.692 11.631 -11.735 1.00 3.29 H new ATOM 0 HB3 ALA A 69 -12.209 10.404 -10.539 1.00 3.29 H new ATOM 1047 N LYS A 70 -14.131 8.670 -9.323 1.00 3.05 N ATOM 1048 CA LYS A 70 -14.331 7.295 -8.746 1.00 3.12 C ATOM 1049 C LYS A 70 -15.812 6.933 -8.714 1.00 3.05 C ATOM 1050 O LYS A 70 -16.209 5.883 -9.172 1.00 3.22 O ATOM 1051 CB LYS A 70 -13.802 7.352 -7.307 1.00 3.03 C ATOM 1052 CG LYS A 70 -12.302 7.660 -7.270 1.00 3.16 C ATOM 1053 CD LYS A 70 -11.619 7.221 -8.572 1.00 3.45 C ATOM 1054 CE LYS A 70 -10.226 7.840 -8.639 1.00 3.58 C ATOM 1055 NZ LYS A 70 -10.424 9.163 -9.297 1.00 3.36 N ATOM 0 H LYS A 70 -13.664 9.332 -8.703 1.00 3.05 H new ATOM 0 HA LYS A 70 -13.814 6.548 -9.348 1.00 3.12 H new ATOM 0 HB2 LYS A 70 -14.345 8.115 -6.749 1.00 3.03 H new ATOM 0 HB3 LYS A 70 -13.991 6.400 -6.811 1.00 3.03 H new ATOM 0 HG2 LYS A 70 -12.150 8.729 -7.118 1.00 3.16 H new ATOM 0 HG3 LYS A 70 -11.843 7.149 -6.424 1.00 3.16 H new ATOM 0 HD2 LYS A 70 -11.550 6.134 -8.612 1.00 3.45 H new ATOM 0 HD3 LYS A 70 -12.211 7.535 -9.432 1.00 3.45 H new ATOM 0 HE2 LYS A 70 -9.796 7.954 -7.644 1.00 3.58 H new ATOM 0 HE3 LYS A 70 -9.542 7.213 -9.211 1.00 3.58 H new ATOM 0 HZ1 LYS A 70 -9.578 9.752 -9.155 1.00 3.36 H new ATOM 0 HZ2 LYS A 70 -10.582 9.024 -10.316 1.00 3.36 H new ATOM 0 HZ3 LYS A 70 -11.250 9.638 -8.880 1.00 3.36 H new ATOM 1069 N GLY A 71 -16.614 7.796 -8.154 1.00 2.84 N ATOM 1070 CA GLY A 71 -18.093 7.536 -8.048 1.00 2.83 C ATOM 1071 C GLY A 71 -18.627 6.876 -9.328 1.00 3.07 C ATOM 1072 O GLY A 71 -19.065 5.739 -9.296 1.00 3.16 O ATOM 0 H GLY A 71 -16.310 8.685 -7.757 1.00 2.84 H new ATOM 0 HA2 GLY A 71 -18.293 6.892 -7.192 1.00 2.83 H new ATOM 0 HA3 GLY A 71 -18.619 8.474 -7.871 1.00 2.83 H new ATOM 1076 N PRO A 72 -18.565 7.605 -10.418 1.00 3.20 N ATOM 1077 CA PRO A 72 -19.044 7.076 -11.721 1.00 3.50 C ATOM 1078 C PRO A 72 -18.172 5.898 -12.181 1.00 3.67 C ATOM 1079 O PRO A 72 -18.680 4.924 -12.693 1.00 3.85 O ATOM 1080 CB PRO A 72 -18.924 8.274 -12.664 1.00 3.63 C ATOM 1081 CG PRO A 72 -17.889 9.143 -12.033 1.00 3.41 C ATOM 1082 CD PRO A 72 -18.048 8.970 -10.547 1.00 3.14 C ATOM 0 HA PRO A 72 -20.061 6.685 -11.680 1.00 3.50 H new ATOM 0 HB2 PRO A 72 -18.625 7.963 -13.665 1.00 3.63 H new ATOM 0 HB3 PRO A 72 -19.875 8.798 -12.764 1.00 3.63 H new ATOM 0 HG2 PRO A 72 -16.888 8.853 -12.354 1.00 3.41 H new ATOM 0 HG3 PRO A 72 -18.027 10.185 -12.321 1.00 3.41 H new ATOM 0 HD2 PRO A 72 -17.099 9.091 -10.024 1.00 3.14 H new ATOM 0 HD3 PRO A 72 -18.738 9.702 -10.129 1.00 3.14 H new ATOM 1090 N CYS A 73 -16.872 5.963 -11.986 1.00 3.65 N ATOM 1091 CA CYS A 73 -15.993 4.820 -12.403 1.00 3.89 C ATOM 1092 C CYS A 73 -16.357 3.570 -11.596 1.00 3.86 C ATOM 1093 O CYS A 73 -16.506 2.487 -12.135 1.00 4.08 O ATOM 1094 CB CYS A 73 -14.560 5.264 -12.096 1.00 3.89 C ATOM 1095 SG CYS A 73 -13.436 4.576 -13.337 1.00 4.25 S ATOM 0 H CYS A 73 -16.386 6.752 -11.560 1.00 3.65 H new ATOM 0 HA CYS A 73 -16.111 4.573 -13.458 1.00 3.89 H new ATOM 0 HB2 CYS A 73 -14.497 6.352 -12.096 1.00 3.89 H new ATOM 0 HB3 CYS A 73 -14.269 4.928 -11.101 1.00 3.89 H new ATOM 0 HG CYS A 73 -12.220 4.955 -13.078 1.00 4.25 H new ATOM 1101 N VAL A 74 -16.531 3.728 -10.311 1.00 3.60 N ATOM 1102 CA VAL A 74 -16.918 2.573 -9.443 1.00 3.59 C ATOM 1103 C VAL A 74 -18.330 2.133 -9.815 1.00 3.61 C ATOM 1104 O VAL A 74 -18.593 0.965 -10.026 1.00 3.78 O ATOM 1105 CB VAL A 74 -16.865 3.105 -8.003 1.00 3.36 C ATOM 1106 CG1 VAL A 74 -17.550 2.117 -7.055 1.00 3.37 C ATOM 1107 CG2 VAL A 74 -15.405 3.279 -7.575 1.00 3.46 C ATOM 0 H VAL A 74 -16.421 4.615 -9.819 1.00 3.60 H new ATOM 0 HA VAL A 74 -16.261 1.711 -9.561 1.00 3.59 H new ATOM 0 HB VAL A 74 -17.380 4.065 -7.961 1.00 3.36 H new ATOM 0 HG11 VAL A 74 -17.508 2.502 -6.036 1.00 3.37 H new ATOM 0 HG12 VAL A 74 -18.591 1.990 -7.352 1.00 3.37 H new ATOM 0 HG13 VAL A 74 -17.039 1.155 -7.101 1.00 3.37 H new ATOM 0 HG21 VAL A 74 -15.368 3.657 -6.553 1.00 3.46 H new ATOM 0 HG22 VAL A 74 -14.894 2.318 -7.625 1.00 3.46 H new ATOM 0 HG23 VAL A 74 -14.912 3.987 -8.241 1.00 3.46 H new ATOM 1117 N GLU A 75 -19.226 3.075 -9.928 1.00 3.49 N ATOM 1118 CA GLU A 75 -20.628 2.745 -10.325 1.00 3.60 C ATOM 1119 C GLU A 75 -20.617 2.035 -11.685 1.00 3.90 C ATOM 1120 O GLU A 75 -21.346 1.087 -11.914 1.00 4.03 O ATOM 1121 CB GLU A 75 -21.335 4.103 -10.406 1.00 3.55 C ATOM 1122 CG GLU A 75 -22.795 3.914 -10.832 1.00 3.68 C ATOM 1123 CD GLU A 75 -23.007 4.500 -12.226 1.00 4.10 C ATOM 1124 OE1 GLU A 75 -22.635 5.642 -12.445 1.00 4.27 O ATOM 1125 OE2 GLU A 75 -23.534 3.790 -13.070 1.00 4.37 O ATOM 0 H GLU A 75 -19.048 4.065 -9.762 1.00 3.49 H new ATOM 0 HA GLU A 75 -21.131 2.077 -9.626 1.00 3.60 H new ATOM 0 HB2 GLU A 75 -21.293 4.602 -9.438 1.00 3.55 H new ATOM 0 HB3 GLU A 75 -20.821 4.747 -11.119 1.00 3.55 H new ATOM 0 HG2 GLU A 75 -23.050 2.854 -10.830 1.00 3.68 H new ATOM 0 HG3 GLU A 75 -23.458 4.402 -10.118 1.00 3.68 H new ATOM 1132 N ARG A 76 -19.769 2.481 -12.574 1.00 4.03 N ATOM 1133 CA ARG A 76 -19.660 1.845 -13.922 1.00 4.35 C ATOM 1134 C ARG A 76 -19.180 0.403 -13.792 1.00 4.46 C ATOM 1135 O ARG A 76 -19.882 -0.527 -14.132 1.00 4.62 O ATOM 1136 CB ARG A 76 -18.607 2.660 -14.672 1.00 4.48 C ATOM 1137 CG ARG A 76 -19.107 2.989 -16.073 1.00 4.79 C ATOM 1138 CD ARG A 76 -18.991 4.494 -16.284 1.00 4.69 C ATOM 1139 NE ARG A 76 -20.399 4.977 -16.393 1.00 4.76 N ATOM 1140 CZ ARG A 76 -21.180 4.951 -15.357 1.00 4.59 C ATOM 1141 NH1 ARG A 76 -21.089 5.876 -14.457 1.00 4.34 N ATOM 1142 NH2 ARG A 76 -22.050 3.999 -15.231 1.00 4.75 N ATOM 0 H ARG A 76 -19.139 3.269 -12.422 1.00 4.03 H new ATOM 0 HA ARG A 76 -20.622 1.831 -14.435 1.00 4.35 H new ATOM 0 HB2 ARG A 76 -18.391 3.580 -14.128 1.00 4.48 H new ATOM 0 HB3 ARG A 76 -17.675 2.099 -14.732 1.00 4.48 H new ATOM 0 HG2 ARG A 76 -18.520 2.455 -16.820 1.00 4.79 H new ATOM 0 HG3 ARG A 76 -20.142 2.668 -16.191 1.00 4.79 H new ATOM 0 HD2 ARG A 76 -18.473 4.971 -15.452 1.00 4.69 H new ATOM 0 HD3 ARG A 76 -18.424 4.724 -17.186 1.00 4.69 H new ATOM 0 HE ARG A 76 -20.748 5.329 -17.284 1.00 4.76 H new ATOM 0 HH11 ARG A 76 -20.404 6.624 -14.562 1.00 4.34 H new ATOM 0 HH12 ARG A 76 -21.702 5.857 -13.642 1.00 4.34 H new ATOM 0 HH21 ARG A 76 -22.119 3.274 -15.945 1.00 4.75 H new ATOM 0 HH22 ARG A 76 -22.666 3.975 -14.418 1.00 4.75 H new ATOM 1156 N LYS A 77 -17.975 0.217 -13.310 1.00 4.42 N ATOM 1157 CA LYS A 77 -17.432 -1.169 -13.165 1.00 4.59 C ATOM 1158 C LYS A 77 -18.319 -2.009 -12.237 1.00 4.47 C ATOM 1159 O LYS A 77 -18.467 -3.198 -12.429 1.00 4.67 O ATOM 1160 CB LYS A 77 -16.004 -1.013 -12.617 1.00 4.59 C ATOM 1161 CG LYS A 77 -16.019 -0.431 -11.202 1.00 4.30 C ATOM 1162 CD LYS A 77 -15.312 -1.397 -10.251 1.00 4.49 C ATOM 1163 CE LYS A 77 -16.047 -1.422 -8.906 1.00 4.24 C ATOM 1164 NZ LYS A 77 -16.362 -2.860 -8.642 1.00 4.44 N ATOM 0 H LYS A 77 -17.346 0.963 -13.012 1.00 4.42 H new ATOM 0 HA LYS A 77 -17.418 -1.699 -14.118 1.00 4.59 H new ATOM 0 HB2 LYS A 77 -15.506 -1.982 -12.610 1.00 4.59 H new ATOM 0 HB3 LYS A 77 -15.427 -0.363 -13.275 1.00 4.59 H new ATOM 0 HG2 LYS A 77 -15.521 0.539 -11.190 1.00 4.30 H new ATOM 0 HG3 LYS A 77 -17.046 -0.267 -10.875 1.00 4.30 H new ATOM 0 HD2 LYS A 77 -15.289 -2.397 -10.683 1.00 4.49 H new ATOM 0 HD3 LYS A 77 -14.277 -1.088 -10.106 1.00 4.49 H new ATOM 0 HE2 LYS A 77 -15.426 -1.006 -8.113 1.00 4.24 H new ATOM 0 HE3 LYS A 77 -16.957 -0.823 -8.946 1.00 4.24 H new ATOM 0 HZ1 LYS A 77 -16.865 -2.944 -7.736 1.00 4.44 H new ATOM 0 HZ2 LYS A 77 -16.962 -3.230 -9.407 1.00 4.44 H new ATOM 0 HZ3 LYS A 77 -15.478 -3.407 -8.599 1.00 4.44 H new ATOM 1178 N ALA A 78 -18.942 -1.397 -11.261 1.00 4.18 N ATOM 1179 CA ALA A 78 -19.852 -2.164 -10.353 1.00 4.10 C ATOM 1180 C ALA A 78 -21.043 -2.675 -11.160 1.00 4.25 C ATOM 1181 O ALA A 78 -21.448 -3.811 -11.041 1.00 4.37 O ATOM 1182 CB ALA A 78 -20.304 -1.164 -9.288 1.00 3.83 C ATOM 0 H ALA A 78 -18.861 -0.402 -11.053 1.00 4.18 H new ATOM 0 HA ALA A 78 -19.366 -3.027 -9.898 1.00 4.10 H new ATOM 0 HB1 ALA A 78 -20.976 -1.659 -8.586 1.00 3.83 H new ATOM 0 HB2 ALA A 78 -19.434 -0.785 -8.752 1.00 3.83 H new ATOM 0 HB3 ALA A 78 -20.825 -0.334 -9.766 1.00 3.83 H new ATOM 1188 N LYS A 79 -21.581 -1.837 -12.002 1.00 4.29 N ATOM 1189 CA LYS A 79 -22.729 -2.257 -12.861 1.00 4.50 C ATOM 1190 C LYS A 79 -22.223 -3.214 -13.944 1.00 4.82 C ATOM 1191 O LYS A 79 -22.761 -4.289 -14.139 1.00 4.97 O ATOM 1192 CB LYS A 79 -23.248 -0.964 -13.493 1.00 4.55 C ATOM 1193 CG LYS A 79 -24.239 -0.289 -12.549 1.00 4.37 C ATOM 1194 CD LYS A 79 -24.924 0.865 -13.278 1.00 4.54 C ATOM 1195 CE LYS A 79 -25.916 1.548 -12.335 1.00 4.45 C ATOM 1196 NZ LYS A 79 -25.866 2.991 -12.707 1.00 4.64 N ATOM 0 H LYS A 79 -21.274 -0.873 -12.134 1.00 4.29 H new ATOM 0 HA LYS A 79 -23.509 -2.772 -12.301 1.00 4.50 H new ATOM 0 HB2 LYS A 79 -22.416 -0.292 -13.703 1.00 4.55 H new ATOM 0 HB3 LYS A 79 -23.730 -1.182 -14.446 1.00 4.55 H new ATOM 0 HG2 LYS A 79 -24.981 -1.010 -12.206 1.00 4.37 H new ATOM 0 HG3 LYS A 79 -23.722 0.081 -11.664 1.00 4.37 H new ATOM 0 HD2 LYS A 79 -24.180 1.583 -13.623 1.00 4.54 H new ATOM 0 HD3 LYS A 79 -25.443 0.494 -14.162 1.00 4.54 H new ATOM 0 HE2 LYS A 79 -26.921 1.143 -12.457 1.00 4.45 H new ATOM 0 HE3 LYS A 79 -25.637 1.399 -11.292 1.00 4.45 H new ATOM 0 HZ1 LYS A 79 -26.282 3.561 -11.943 1.00 4.64 H new ATOM 0 HZ2 LYS A 79 -24.877 3.278 -12.854 1.00 4.64 H new ATOM 0 HZ3 LYS A 79 -26.404 3.142 -13.584 1.00 4.64 H new ATOM 1210 N LEU A 80 -21.174 -2.824 -14.631 1.00 4.93 N ATOM 1211 CA LEU A 80 -20.583 -3.684 -15.702 1.00 5.28 C ATOM 1212 C LEU A 80 -20.265 -5.074 -15.148 1.00 5.32 C ATOM 1213 O LEU A 80 -20.489 -6.077 -15.793 1.00 5.55 O ATOM 1214 CB LEU A 80 -19.303 -2.958 -16.119 1.00 5.37 C ATOM 1215 CG LEU A 80 -18.606 -3.737 -17.235 1.00 5.77 C ATOM 1216 CD1 LEU A 80 -18.755 -2.974 -18.550 1.00 5.89 C ATOM 1217 CD2 LEU A 80 -17.122 -3.891 -16.897 1.00 6.13 C ATOM 0 H LEU A 80 -20.697 -1.933 -14.491 1.00 4.93 H new ATOM 0 HA LEU A 80 -21.261 -3.831 -16.543 1.00 5.28 H new ATOM 0 HB2 LEU A 80 -19.540 -1.950 -16.460 1.00 5.37 H new ATOM 0 HB3 LEU A 80 -18.636 -2.856 -15.263 1.00 5.37 H new ATOM 0 HG LEU A 80 -19.059 -4.724 -17.333 1.00 5.77 H new ATOM 0 HD11 LEU A 80 -18.259 -3.526 -19.349 1.00 5.89 H new ATOM 0 HD12 LEU A 80 -19.813 -2.862 -18.788 1.00 5.89 H new ATOM 0 HD13 LEU A 80 -18.299 -1.989 -18.453 1.00 5.89 H new ATOM 0 HD21 LEU A 80 -16.624 -4.446 -17.692 1.00 6.13 H new ATOM 0 HD22 LEU A 80 -16.666 -2.905 -16.802 1.00 6.13 H new ATOM 0 HD23 LEU A 80 -17.017 -4.431 -15.956 1.00 6.13 H new ATOM 1229 N MET A 81 -19.762 -5.133 -13.949 1.00 5.13 N ATOM 1230 CA MET A 81 -19.448 -6.451 -13.329 1.00 5.21 C ATOM 1231 C MET A 81 -20.733 -7.059 -12.763 1.00 5.08 C ATOM 1232 O MET A 81 -21.027 -8.223 -12.976 1.00 5.26 O ATOM 1233 CB MET A 81 -18.456 -6.139 -12.210 1.00 5.10 C ATOM 1234 CG MET A 81 -17.339 -7.175 -12.229 1.00 5.33 C ATOM 1235 SD MET A 81 -15.848 -6.466 -11.491 1.00 5.63 S ATOM 1236 CE MET A 81 -15.418 -7.898 -10.482 1.00 5.82 C ATOM 0 H MET A 81 -19.553 -4.322 -13.367 1.00 5.13 H new ATOM 0 HA MET A 81 -19.033 -7.166 -14.039 1.00 5.21 H new ATOM 0 HB2 MET A 81 -18.043 -5.139 -12.342 1.00 5.10 H new ATOM 0 HB3 MET A 81 -18.962 -6.150 -11.245 1.00 5.10 H new ATOM 0 HG2 MET A 81 -17.644 -8.064 -11.677 1.00 5.33 H new ATOM 0 HG3 MET A 81 -17.137 -7.489 -13.253 1.00 5.33 H new ATOM 0 HE1 MET A 81 -14.507 -7.688 -9.922 1.00 5.82 H new ATOM 0 HE2 MET A 81 -16.230 -8.110 -9.787 1.00 5.82 H new ATOM 0 HE3 MET A 81 -15.257 -8.762 -11.127 1.00 5.82 H new ATOM 1246 N THR A 82 -21.505 -6.261 -12.054 1.00 4.80 N ATOM 1247 CA THR A 82 -22.794 -6.745 -11.464 1.00 4.71 C ATOM 1248 C THR A 82 -22.538 -8.000 -10.604 1.00 4.78 C ATOM 1249 O THR A 82 -21.402 -8.382 -10.394 1.00 4.90 O ATOM 1250 CB THR A 82 -23.727 -7.047 -12.671 1.00 4.93 C ATOM 1251 OG1 THR A 82 -23.106 -6.684 -13.906 1.00 5.14 O ATOM 1252 CG2 THR A 82 -25.025 -6.248 -12.534 1.00 4.83 C ATOM 0 H THR A 82 -21.291 -5.283 -11.859 1.00 4.80 H new ATOM 0 HA THR A 82 -23.253 -6.008 -10.805 1.00 4.71 H new ATOM 0 HB THR A 82 -23.933 -8.117 -12.673 1.00 4.93 H new ATOM 0 HG1 THR A 82 -23.369 -5.772 -14.148 1.00 5.14 H new ATOM 0 HG21 THR A 82 -25.676 -6.463 -13.382 1.00 4.83 H new ATOM 0 HG22 THR A 82 -25.529 -6.529 -11.609 1.00 4.83 H new ATOM 0 HG23 THR A 82 -24.796 -5.183 -12.513 1.00 4.83 H new ATOM 1260 N PRO A 83 -23.593 -8.615 -10.124 1.00 4.76 N ATOM 1261 CA PRO A 83 -23.426 -9.835 -9.299 1.00 4.87 C ATOM 1262 C PRO A 83 -23.199 -11.069 -10.195 1.00 5.15 C ATOM 1263 O PRO A 83 -23.308 -12.191 -9.742 1.00 5.30 O ATOM 1264 CB PRO A 83 -24.755 -9.942 -8.556 1.00 4.79 C ATOM 1265 CG PRO A 83 -25.753 -9.230 -9.417 1.00 4.76 C ATOM 1266 CD PRO A 83 -25.003 -8.249 -10.287 1.00 4.70 C ATOM 0 HA PRO A 83 -22.567 -9.786 -8.630 1.00 4.87 H new ATOM 0 HB2 PRO A 83 -25.038 -10.984 -8.406 1.00 4.79 H new ATOM 0 HB3 PRO A 83 -24.691 -9.484 -7.569 1.00 4.79 H new ATOM 0 HG2 PRO A 83 -26.302 -9.942 -10.032 1.00 4.76 H new ATOM 0 HG3 PRO A 83 -26.486 -8.710 -8.800 1.00 4.76 H new ATOM 0 HD2 PRO A 83 -25.314 -8.324 -11.329 1.00 4.70 H new ATOM 0 HD3 PRO A 83 -25.185 -7.221 -9.973 1.00 4.70 H new ATOM 1274 N ASN A 84 -22.901 -10.863 -11.467 1.00 5.27 N ATOM 1275 CA ASN A 84 -22.674 -11.997 -12.427 1.00 5.59 C ATOM 1276 C ASN A 84 -23.992 -12.702 -12.803 1.00 5.65 C ATOM 1277 O ASN A 84 -24.110 -13.249 -13.883 1.00 5.73 O ATOM 1278 CB ASN A 84 -21.702 -12.953 -11.733 1.00 5.77 C ATOM 1279 CG ASN A 84 -20.520 -13.222 -12.661 1.00 6.14 C ATOM 1280 OD1 ASN A 84 -20.319 -14.332 -13.099 1.00 6.50 O ATOM 1281 ND2 ASN A 84 -19.729 -12.242 -12.992 1.00 6.15 N ATOM 0 H ASN A 84 -22.805 -9.937 -11.883 1.00 5.27 H new ATOM 0 HA ASN A 84 -22.263 -11.633 -13.368 1.00 5.59 H new ATOM 0 HB2 ASN A 84 -21.353 -12.520 -10.795 1.00 5.77 H new ATOM 0 HB3 ASN A 84 -22.206 -13.887 -11.485 1.00 5.77 H new ATOM 0 HD21 ASN A 84 -18.942 -12.411 -13.619 1.00 6.15 H new ATOM 0 HD22 ASN A 84 -19.896 -11.305 -12.624 1.00 6.15 H new ATOM 1288 N GLY A 85 -24.985 -12.689 -11.943 1.00 5.70 N ATOM 1289 CA GLY A 85 -26.281 -13.346 -12.283 1.00 5.83 C ATOM 1290 C GLY A 85 -27.045 -12.467 -13.279 1.00 5.87 C ATOM 1291 O GLY A 85 -27.053 -11.251 -13.157 1.00 5.71 O ATOM 0 H GLY A 85 -24.950 -12.251 -11.022 1.00 5.70 H new ATOM 0 HA2 GLY A 85 -26.101 -14.331 -12.713 1.00 5.83 H new ATOM 0 HA3 GLY A 85 -26.875 -13.495 -11.381 1.00 5.83 H new ATOM 1295 N PRO A 86 -27.672 -13.107 -14.238 1.00 6.14 N ATOM 1296 CA PRO A 86 -28.448 -12.364 -15.269 1.00 6.30 C ATOM 1297 C PRO A 86 -29.633 -11.613 -14.647 1.00 6.21 C ATOM 1298 O PRO A 86 -30.166 -10.696 -15.242 1.00 6.31 O ATOM 1299 CB PRO A 86 -28.901 -13.460 -16.233 1.00 6.65 C ATOM 1300 CG PRO A 86 -28.881 -14.709 -15.413 1.00 6.64 C ATOM 1301 CD PRO A 86 -27.732 -14.558 -14.454 1.00 6.38 C ATOM 0 HA PRO A 86 -27.865 -11.589 -15.767 1.00 6.30 H new ATOM 0 HB2 PRO A 86 -29.898 -13.258 -16.624 1.00 6.65 H new ATOM 0 HB3 PRO A 86 -28.232 -13.537 -17.090 1.00 6.65 H new ATOM 0 HG2 PRO A 86 -29.821 -14.839 -14.878 1.00 6.64 H new ATOM 0 HG3 PRO A 86 -28.749 -15.588 -16.044 1.00 6.64 H new ATOM 0 HD2 PRO A 86 -27.909 -15.098 -13.524 1.00 6.38 H new ATOM 0 HD3 PRO A 86 -26.802 -14.943 -14.874 1.00 6.38 H new ATOM 1309 N GLU A 87 -30.033 -11.970 -13.449 1.00 6.07 N ATOM 1310 CA GLU A 87 -31.164 -11.243 -12.781 1.00 6.04 C ATOM 1311 C GLU A 87 -30.820 -9.751 -12.688 1.00 5.83 C ATOM 1312 O GLU A 87 -31.675 -8.893 -12.800 1.00 5.91 O ATOM 1313 CB GLU A 87 -31.280 -11.851 -11.375 1.00 5.92 C ATOM 1314 CG GLU A 87 -31.588 -13.351 -11.471 1.00 6.15 C ATOM 1315 CD GLU A 87 -30.342 -14.157 -11.102 1.00 6.08 C ATOM 1316 OE1 GLU A 87 -29.449 -14.232 -11.928 1.00 6.37 O ATOM 1317 OE2 GLU A 87 -30.300 -14.678 -10.002 1.00 5.94 O ATOM 0 H GLU A 87 -29.627 -12.731 -12.905 1.00 6.07 H new ATOM 0 HA GLU A 87 -32.100 -11.339 -13.332 1.00 6.04 H new ATOM 0 HB2 GLU A 87 -30.351 -11.697 -10.826 1.00 5.92 H new ATOM 0 HB3 GLU A 87 -32.067 -11.346 -10.816 1.00 5.92 H new ATOM 0 HG2 GLU A 87 -32.410 -13.607 -10.802 1.00 6.15 H new ATOM 0 HG3 GLU A 87 -31.909 -13.602 -12.482 1.00 6.15 H new ATOM 1324 N VAL A 88 -29.565 -9.449 -12.489 1.00 5.61 N ATOM 1325 CA VAL A 88 -29.122 -8.027 -12.394 1.00 5.43 C ATOM 1326 C VAL A 88 -28.290 -7.649 -13.632 1.00 5.54 C ATOM 1327 O VAL A 88 -28.286 -6.510 -14.057 1.00 5.54 O ATOM 1328 CB VAL A 88 -28.265 -7.959 -11.126 1.00 5.14 C ATOM 1329 CG1 VAL A 88 -27.973 -6.499 -10.785 1.00 4.94 C ATOM 1330 CG2 VAL A 88 -29.010 -8.611 -9.956 1.00 5.14 C ATOM 0 H VAL A 88 -28.818 -10.136 -12.387 1.00 5.61 H new ATOM 0 HA VAL A 88 -29.962 -7.334 -12.352 1.00 5.43 H new ATOM 0 HB VAL A 88 -27.330 -8.491 -11.300 1.00 5.14 H new ATOM 0 HG11 VAL A 88 -27.363 -6.451 -9.883 1.00 4.94 H new ATOM 0 HG12 VAL A 88 -27.436 -6.033 -11.611 1.00 4.94 H new ATOM 0 HG13 VAL A 88 -28.911 -5.970 -10.617 1.00 4.94 H new ATOM 0 HG21 VAL A 88 -28.394 -8.559 -9.058 1.00 5.14 H new ATOM 0 HG22 VAL A 88 -29.949 -8.084 -9.783 1.00 5.14 H new ATOM 0 HG23 VAL A 88 -29.218 -9.654 -10.193 1.00 5.14 H new ATOM 1340 N HIS A 89 -27.591 -8.596 -14.217 1.00 5.67 N ATOM 1341 CA HIS A 89 -26.772 -8.283 -15.426 1.00 5.84 C ATOM 1342 C HIS A 89 -27.462 -8.824 -16.687 1.00 6.04 C ATOM 1343 O HIS A 89 -27.323 -9.983 -17.035 1.00 6.19 O ATOM 1344 CB HIS A 89 -25.432 -8.984 -15.190 1.00 5.89 C ATOM 1345 CG HIS A 89 -24.467 -8.583 -16.269 1.00 6.10 C ATOM 1346 ND1 HIS A 89 -23.409 -7.727 -16.027 1.00 5.88 N ATOM 1347 CD2 HIS A 89 -24.401 -8.896 -17.604 1.00 6.57 C ATOM 1348 CE1 HIS A 89 -22.754 -7.552 -17.191 1.00 6.21 C ATOM 1349 NE2 HIS A 89 -23.317 -8.243 -18.184 1.00 6.64 N ATOM 0 H HIS A 89 -27.555 -9.567 -13.908 1.00 5.67 H new ATOM 0 HA HIS A 89 -26.644 -7.211 -15.576 1.00 5.84 H new ATOM 0 HB2 HIS A 89 -25.034 -8.714 -14.212 1.00 5.89 H new ATOM 0 HB3 HIS A 89 -25.569 -10.065 -15.191 1.00 5.89 H new ATOM 0 HD1 HIS A 89 -23.168 -7.305 -15.130 1.00 5.88 H new ATOM 0 HD2 HIS A 89 -25.086 -9.549 -18.125 1.00 6.57 H new ATOM 0 HE1 HIS A 89 -21.880 -6.928 -17.306 1.00 6.21 H new ATOM 1357 N GLY A 90 -28.208 -7.994 -17.369 1.00 6.13 N ATOM 1358 CA GLY A 90 -28.914 -8.450 -18.605 1.00 6.40 C ATOM 1359 C GLY A 90 -29.211 -7.254 -19.512 1.00 6.46 C ATOM 1360 O GLY A 90 -29.706 -6.257 -19.007 1.00 6.61 O ATOM 1361 OXT GLY A 90 -28.943 -7.355 -20.697 1.00 6.60 O ATOM 0 H GLY A 90 -28.360 -7.016 -17.122 1.00 6.13 H new ATOM 0 HA2 GLY A 90 -28.300 -9.176 -19.137 1.00 6.40 H new ATOM 0 HA3 GLY A 90 -29.843 -8.953 -18.338 1.00 6.40 H new TER 1365 GLY A 90