USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 989 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 83 THR OG1 : rot 180:sc= -0.603 USER MOD Set 1.2: A 86 GLN : amide:sc= 0.621 K(o=0.019,f=-6!) USER MOD Set 2.1: A 8 MET CE :methyl 180:sc= -0.318 (180deg=-0.318) USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -71:sc= 0.316 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -29:sc= 0.132 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 24:sc= 0.927 USER MOD Single : A 35 SER OG : rot 120:sc= -0.327 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= -0.127 (180deg=-0.918) USER MOD Single : A 52 MET CE :methyl -175:sc= 0 (180deg=-0.0264) USER MOD Single : A 63 HIS : no HD1:sc= -1.19! K(o=-1.2!,f=-0.31) USER MOD Single : A 67 ASN : amide:sc= -0.0375 X(o=-0.038,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 101:sc= 1.19 USER MOD Single : A 71 CYS SG : rot 63:sc= -1.39 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.28! C(o=-1.3!,f=-1.7!) USER MOD Single : A 79 SER OG : rot 93:sc= 0.882 USER MOD Single : A 81 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.6!) USER MOD Single : A 87 CYS SG : rot 87:sc= -0.502 USER MOD Single : A 89 THR OG1 : rot 78:sc= 0.56 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.343 K(o=0.34,f=-0.94) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -143:sc= -0.0913 (180deg=-0.846) USER MOD Single : A 108 HIS : no HE2:sc= -7.17! C(o=-7.2!,f=-10!) USER MOD Single : A 115 GLN : amide:sc= -1.1 K(o=-1.1,f=-8.1!) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 117 ASN : amide:sc= 0.313 X(o=0.31,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.167 K(o=-0.17,f=-4.8!) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.673 14.723 0.519 1.00 0.00 N ATOM 2 CA GLY A 1 -20.709 15.918 -0.304 1.00 0.00 C ATOM 3 C GLY A 1 -19.836 15.799 -1.538 1.00 0.00 C ATOM 4 O GLY A 1 -20.326 15.493 -2.625 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.285 14.855 1.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.010 13.910 -0.035 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.697 14.547 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.737 16.115 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.382 16.773 0.288 1.00 0.00 H new ATOM 8 N SER A 2 -18.541 16.042 -1.371 1.00 0.00 N ATOM 9 CA SER A 2 -17.599 15.965 -2.481 1.00 0.00 C ATOM 10 C SER A 2 -17.984 16.941 -3.589 1.00 0.00 C ATOM 11 O SER A 2 -17.909 16.615 -4.773 1.00 0.00 O ATOM 12 CB SER A 2 -17.548 14.540 -3.037 1.00 0.00 C ATOM 13 OG SER A 2 -17.190 13.612 -2.028 1.00 0.00 O ATOM 0 H SER A 2 -18.119 16.294 -0.477 1.00 0.00 H new ATOM 0 HA SER A 2 -16.612 16.237 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.520 14.273 -3.453 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.828 14.490 -3.853 1.00 0.00 H new ATOM 0 HG SER A 2 -17.166 12.709 -2.408 1.00 0.00 H new ATOM 19 N SER A 3 -18.396 18.142 -3.194 1.00 0.00 N ATOM 20 CA SER A 3 -18.797 19.166 -4.151 1.00 0.00 C ATOM 21 C SER A 3 -17.984 20.442 -3.954 1.00 0.00 C ATOM 22 O SER A 3 -18.449 21.398 -3.335 1.00 0.00 O ATOM 23 CB SER A 3 -20.289 19.471 -4.009 1.00 0.00 C ATOM 24 OG SER A 3 -20.639 20.648 -4.717 1.00 0.00 O ATOM 0 H SER A 3 -18.461 18.429 -2.217 1.00 0.00 H new ATOM 0 HA SER A 3 -18.606 18.785 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.872 18.630 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.541 19.589 -2.955 1.00 0.00 H new ATOM 0 HG SER A 3 -20.270 21.430 -4.255 1.00 0.00 H new ATOM 30 N GLY A 4 -16.766 20.449 -4.486 1.00 0.00 N ATOM 31 CA GLY A 4 -15.907 21.611 -4.358 1.00 0.00 C ATOM 32 C GLY A 4 -14.447 21.283 -4.601 1.00 0.00 C ATOM 33 O GLY A 4 -14.082 20.117 -4.747 1.00 0.00 O ATOM 0 H GLY A 4 -16.359 19.670 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.227 22.375 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.020 22.034 -3.360 1.00 0.00 H new ATOM 37 N SER A 5 -13.610 22.315 -4.645 1.00 0.00 N ATOM 38 CA SER A 5 -12.182 22.131 -4.878 1.00 0.00 C ATOM 39 C SER A 5 -11.365 22.694 -3.719 1.00 0.00 C ATOM 40 O SER A 5 -10.354 23.365 -3.926 1.00 0.00 O ATOM 41 CB SER A 5 -11.766 22.807 -6.186 1.00 0.00 C ATOM 42 OG SER A 5 -12.510 22.301 -7.281 1.00 0.00 O ATOM 0 H SER A 5 -13.896 23.286 -4.522 1.00 0.00 H new ATOM 0 HA SER A 5 -11.986 21.061 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.917 23.884 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.702 22.646 -6.360 1.00 0.00 H new ATOM 0 HG SER A 5 -12.227 22.750 -8.105 1.00 0.00 H new ATOM 48 N SER A 6 -11.813 22.417 -2.499 1.00 0.00 N ATOM 49 CA SER A 6 -11.127 22.898 -1.305 1.00 0.00 C ATOM 50 C SER A 6 -11.356 21.954 -0.129 1.00 0.00 C ATOM 51 O SER A 6 -12.480 21.527 0.129 1.00 0.00 O ATOM 52 CB SER A 6 -11.610 24.305 -0.947 1.00 0.00 C ATOM 53 OG SER A 6 -12.980 24.297 -0.584 1.00 0.00 O ATOM 0 H SER A 6 -12.648 21.862 -2.311 1.00 0.00 H new ATOM 0 HA SER A 6 -10.058 22.931 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.015 24.699 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.459 24.972 -1.796 1.00 0.00 H new ATOM 0 HG SER A 6 -13.264 25.207 -0.358 1.00 0.00 H new ATOM 59 N GLY A 7 -10.279 21.634 0.583 1.00 0.00 N ATOM 60 CA GLY A 7 -10.382 20.742 1.723 1.00 0.00 C ATOM 61 C GLY A 7 -9.172 20.823 2.633 1.00 0.00 C ATOM 62 O GLY A 7 -9.032 21.768 3.408 1.00 0.00 O ATOM 0 H GLY A 7 -9.338 21.977 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.278 20.987 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.499 19.718 1.370 1.00 0.00 H new ATOM 66 N MET A 8 -8.297 19.827 2.540 1.00 0.00 N ATOM 67 CA MET A 8 -7.093 19.790 3.362 1.00 0.00 C ATOM 68 C MET A 8 -5.845 19.997 2.509 1.00 0.00 C ATOM 69 O MET A 8 -4.839 20.525 2.982 1.00 0.00 O ATOM 70 CB MET A 8 -6.999 18.456 4.106 1.00 0.00 C ATOM 71 CG MET A 8 -6.849 17.256 3.187 1.00 0.00 C ATOM 72 SD MET A 8 -8.435 16.558 2.689 1.00 0.00 S ATOM 73 CE MET A 8 -8.824 15.549 4.116 1.00 0.00 C ATOM 0 H MET A 8 -8.399 19.036 1.904 1.00 0.00 H new ATOM 0 HA MET A 8 -7.154 20.601 4.088 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.149 18.489 4.788 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.893 18.326 4.716 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.292 17.552 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.261 16.489 3.691 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.781 15.050 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.044 14.801 4.256 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.885 16.180 5.002 1.00 0.00 H new ATOM 83 N ALA A 9 -5.919 19.579 1.250 1.00 0.00 N ATOM 84 CA ALA A 9 -4.796 19.721 0.331 1.00 0.00 C ATOM 85 C ALA A 9 -5.208 19.378 -1.097 1.00 0.00 C ATOM 86 O ALA A 9 -6.131 18.594 -1.314 1.00 0.00 O ATOM 87 CB ALA A 9 -3.637 18.841 0.774 1.00 0.00 C ATOM 0 H ALA A 9 -6.744 19.139 0.843 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.474 20.762 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.806 18.957 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.318 19.136 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.956 17.799 0.787 1.00 0.00 H new ATOM 93 N GLU A 10 -4.517 19.970 -2.066 1.00 0.00 N ATOM 94 CA GLU A 10 -4.813 19.727 -3.472 1.00 0.00 C ATOM 95 C GLU A 10 -4.507 18.281 -3.851 1.00 0.00 C ATOM 96 O GLU A 10 -5.380 17.527 -4.282 1.00 0.00 O ATOM 97 CB GLU A 10 -4.007 20.679 -4.358 1.00 0.00 C ATOM 98 CG GLU A 10 -4.760 21.944 -4.735 1.00 0.00 C ATOM 99 CD GLU A 10 -5.777 21.712 -5.835 1.00 0.00 C ATOM 100 OE1 GLU A 10 -5.407 21.842 -7.021 1.00 0.00 O ATOM 101 OE2 GLU A 10 -6.942 21.402 -5.512 1.00 0.00 O ATOM 0 H GLU A 10 -3.749 20.621 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.876 19.908 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.088 20.954 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.715 20.155 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.267 22.337 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.048 22.703 -5.058 1.00 0.00 H new ATOM 108 N PRO A 11 -3.236 17.883 -3.687 1.00 0.00 N ATOM 109 CA PRO A 11 -2.784 16.526 -4.006 1.00 0.00 C ATOM 110 C PRO A 11 -3.337 15.488 -3.035 1.00 0.00 C ATOM 111 O PRO A 11 -3.835 14.440 -3.447 1.00 0.00 O ATOM 112 CB PRO A 11 -1.262 16.620 -3.878 1.00 0.00 C ATOM 113 CG PRO A 11 -1.030 17.748 -2.934 1.00 0.00 C ATOM 114 CD PRO A 11 -2.143 18.729 -3.178 1.00 0.00 C ATOM 0 HA PRO A 11 -3.124 16.204 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.839 15.691 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.794 16.810 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.036 17.400 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.058 18.209 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.429 19.248 -2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.855 19.492 -3.901 1.00 0.00 H new ATOM 122 N VAL A 12 -3.246 15.786 -1.743 1.00 0.00 N ATOM 123 CA VAL A 12 -3.739 14.879 -0.712 1.00 0.00 C ATOM 124 C VAL A 12 -5.186 14.480 -0.979 1.00 0.00 C ATOM 125 O VAL A 12 -5.557 13.316 -0.825 1.00 0.00 O ATOM 126 CB VAL A 12 -3.643 15.515 0.687 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.214 14.577 1.740 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.201 15.876 1.010 1.00 0.00 C ATOM 0 H VAL A 12 -2.836 16.648 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.108 13.991 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.233 16.431 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.138 15.043 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.261 14.372 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.653 13.642 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.152 16.324 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.587 14.976 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.830 16.587 0.272 1.00 0.00 H new ATOM 138 N GLN A 13 -5.999 15.452 -1.379 1.00 0.00 N ATOM 139 CA GLN A 13 -7.406 15.201 -1.667 1.00 0.00 C ATOM 140 C GLN A 13 -7.566 14.432 -2.974 1.00 0.00 C ATOM 141 O GLN A 13 -8.110 13.328 -2.992 1.00 0.00 O ATOM 142 CB GLN A 13 -8.177 16.521 -1.740 1.00 0.00 C ATOM 143 CG GLN A 13 -9.607 16.363 -2.230 1.00 0.00 C ATOM 144 CD GLN A 13 -10.534 17.427 -1.675 1.00 0.00 C ATOM 145 OE1 GLN A 13 -10.242 18.621 -1.749 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.660 16.999 -1.117 1.00 0.00 N ATOM 0 H GLN A 13 -5.708 16.421 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.814 14.594 -0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.189 16.980 -0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.648 17.205 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.621 16.406 -3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.978 15.378 -1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.862 16.000 -1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.323 17.669 -0.728 1.00 0.00 H new ATOM 155 N GLU A 14 -7.089 15.023 -4.065 1.00 0.00 N ATOM 156 CA GLU A 14 -7.181 14.392 -5.376 1.00 0.00 C ATOM 157 C GLU A 14 -6.865 12.902 -5.287 1.00 0.00 C ATOM 158 O GLU A 14 -7.525 12.079 -5.921 1.00 0.00 O ATOM 159 CB GLU A 14 -6.224 15.069 -6.360 1.00 0.00 C ATOM 160 CG GLU A 14 -6.846 16.237 -7.108 1.00 0.00 C ATOM 161 CD GLU A 14 -8.094 15.841 -7.873 1.00 0.00 C ATOM 162 OE1 GLU A 14 -7.964 15.145 -8.902 1.00 0.00 O ATOM 163 OE2 GLU A 14 -9.200 16.229 -7.443 1.00 0.00 O ATOM 0 H GLU A 14 -6.636 15.937 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.204 14.508 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.347 15.422 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.876 14.330 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.094 17.027 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.114 16.650 -7.802 1.00 0.00 H new ATOM 170 N GLU A 15 -5.852 12.564 -4.495 1.00 0.00 N ATOM 171 CA GLU A 15 -5.449 11.173 -4.324 1.00 0.00 C ATOM 172 C GLU A 15 -6.563 10.360 -3.673 1.00 0.00 C ATOM 173 O GLU A 15 -7.119 9.446 -4.284 1.00 0.00 O ATOM 174 CB GLU A 15 -4.178 11.089 -3.476 1.00 0.00 C ATOM 175 CG GLU A 15 -3.448 9.762 -3.604 1.00 0.00 C ATOM 176 CD GLU A 15 -3.300 9.314 -5.045 1.00 0.00 C ATOM 177 OE1 GLU A 15 -2.546 9.968 -5.795 1.00 0.00 O ATOM 178 OE2 GLU A 15 -3.938 8.308 -5.421 1.00 0.00 O ATOM 0 H GLU A 15 -5.296 13.233 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.248 10.755 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.504 11.895 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.438 11.252 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.460 9.850 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.988 8.999 -3.044 1.00 0.00 H new ATOM 185 N LEU A 16 -6.884 10.697 -2.429 1.00 0.00 N ATOM 186 CA LEU A 16 -7.932 9.998 -1.693 1.00 0.00 C ATOM 187 C LEU A 16 -9.175 9.815 -2.557 1.00 0.00 C ATOM 188 O LEU A 16 -9.758 8.732 -2.603 1.00 0.00 O ATOM 189 CB LEU A 16 -8.290 10.769 -0.421 1.00 0.00 C ATOM 190 CG LEU A 16 -7.202 10.836 0.652 1.00 0.00 C ATOM 191 CD1 LEU A 16 -7.559 11.869 1.710 1.00 0.00 C ATOM 192 CD2 LEU A 16 -6.994 9.469 1.287 1.00 0.00 C ATOM 0 H LEU A 16 -6.434 11.450 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.554 9.013 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.559 11.787 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.178 10.314 0.018 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.269 11.139 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.774 11.903 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.656 12.849 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.503 11.596 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.216 9.536 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.924 9.136 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.692 8.754 0.521 1.00 0.00 H new ATOM 204 N SER A 17 -9.575 10.882 -3.242 1.00 0.00 N ATOM 205 CA SER A 17 -10.751 10.839 -4.105 1.00 0.00 C ATOM 206 C SER A 17 -10.515 9.921 -5.300 1.00 0.00 C ATOM 207 O SER A 17 -11.198 8.910 -5.465 1.00 0.00 O ATOM 208 CB SER A 17 -11.104 12.246 -4.590 1.00 0.00 C ATOM 209 OG SER A 17 -12.141 12.207 -5.555 1.00 0.00 O ATOM 0 H SER A 17 -9.103 11.786 -3.216 1.00 0.00 H new ATOM 0 HA SER A 17 -11.584 10.443 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.413 12.859 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.221 12.718 -5.020 1.00 0.00 H new ATOM 0 HG SER A 17 -12.350 13.119 -5.848 1.00 0.00 H new ATOM 215 N VAL A 18 -9.542 10.280 -6.131 1.00 0.00 N ATOM 216 CA VAL A 18 -9.214 9.488 -7.311 1.00 0.00 C ATOM 217 C VAL A 18 -9.193 7.999 -6.986 1.00 0.00 C ATOM 218 O VAL A 18 -9.708 7.179 -7.746 1.00 0.00 O ATOM 219 CB VAL A 18 -7.848 9.894 -7.897 1.00 0.00 C ATOM 220 CG1 VAL A 18 -7.392 8.882 -8.937 1.00 0.00 C ATOM 221 CG2 VAL A 18 -7.919 11.291 -8.495 1.00 0.00 C ATOM 0 H VAL A 18 -8.967 11.114 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.991 9.684 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.115 9.906 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.426 9.185 -9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.300 7.900 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.123 8.835 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.946 11.562 -8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.665 11.309 -9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.198 12.005 -7.720 1.00 0.00 H new ATOM 231 N LEU A 19 -8.595 7.656 -5.850 1.00 0.00 N ATOM 232 CA LEU A 19 -8.507 6.264 -5.422 1.00 0.00 C ATOM 233 C LEU A 19 -9.881 5.602 -5.436 1.00 0.00 C ATOM 234 O LEU A 19 -10.043 4.496 -5.951 1.00 0.00 O ATOM 235 CB LEU A 19 -7.901 6.178 -4.020 1.00 0.00 C ATOM 236 CG LEU A 19 -6.374 6.173 -3.948 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.905 6.472 -2.533 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.822 4.836 -4.423 1.00 0.00 C ATOM 0 H LEU A 19 -8.164 8.322 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.862 5.734 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.270 7.020 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.270 5.271 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.996 6.955 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.815 6.464 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.270 7.453 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.293 5.714 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.734 4.850 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.209 4.037 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.128 4.662 -5.455 1.00 0.00 H new ATOM 250 N ALA A 20 -10.868 6.288 -4.869 1.00 0.00 N ATOM 251 CA ALA A 20 -12.229 5.768 -4.820 1.00 0.00 C ATOM 252 C ALA A 20 -12.712 5.363 -6.209 1.00 0.00 C ATOM 253 O ALA A 20 -13.601 4.523 -6.346 1.00 0.00 O ATOM 254 CB ALA A 20 -13.167 6.802 -4.213 1.00 0.00 C ATOM 0 H ALA A 20 -10.751 7.205 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.230 4.878 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.180 6.401 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.840 7.040 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.153 7.707 -4.821 1.00 0.00 H new ATOM 260 N ALA A 21 -12.122 5.967 -7.235 1.00 0.00 N ATOM 261 CA ALA A 21 -12.492 5.668 -8.613 1.00 0.00 C ATOM 262 C ALA A 21 -11.743 4.444 -9.129 1.00 0.00 C ATOM 263 O ALA A 21 -12.337 3.551 -9.734 1.00 0.00 O ATOM 264 CB ALA A 21 -12.221 6.870 -9.505 1.00 0.00 C ATOM 0 H ALA A 21 -11.386 6.666 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.559 5.445 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.502 6.632 -10.531 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.806 7.721 -9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.160 7.119 -9.468 1.00 0.00 H new ATOM 270 N ILE A 22 -10.437 4.410 -8.887 1.00 0.00 N ATOM 271 CA ILE A 22 -9.608 3.295 -9.327 1.00 0.00 C ATOM 272 C ILE A 22 -10.185 1.963 -8.860 1.00 0.00 C ATOM 273 O ILE A 22 -10.207 0.987 -9.610 1.00 0.00 O ATOM 274 CB ILE A 22 -8.164 3.427 -8.807 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.445 4.574 -9.520 1.00 0.00 C ATOM 276 CG2 ILE A 22 -7.410 2.120 -9.001 1.00 0.00 C ATOM 277 CD1 ILE A 22 -6.003 4.739 -9.096 1.00 0.00 C ATOM 0 H ILE A 22 -9.930 5.142 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.597 3.321 -10.417 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.196 3.650 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.482 4.402 -10.596 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.981 5.504 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.391 2.229 -8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.914 1.324 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.384 1.869 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.556 5.570 -9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.959 4.942 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.453 3.824 -9.314 1.00 0.00 H new ATOM 289 N PHE A 23 -10.653 1.931 -7.617 1.00 0.00 N ATOM 290 CA PHE A 23 -11.231 0.718 -7.049 1.00 0.00 C ATOM 291 C PHE A 23 -12.703 0.587 -7.431 1.00 0.00 C ATOM 292 O PHE A 23 -13.123 -0.431 -7.982 1.00 0.00 O ATOM 293 CB PHE A 23 -11.087 0.724 -5.526 1.00 0.00 C ATOM 294 CG PHE A 23 -9.662 0.632 -5.058 1.00 0.00 C ATOM 295 CD1 PHE A 23 -8.991 -0.580 -5.074 1.00 0.00 C ATOM 296 CD2 PHE A 23 -8.995 1.758 -4.602 1.00 0.00 C ATOM 297 CE1 PHE A 23 -7.680 -0.668 -4.645 1.00 0.00 C ATOM 298 CE2 PHE A 23 -7.684 1.676 -4.172 1.00 0.00 C ATOM 299 CZ PHE A 23 -7.026 0.462 -4.193 1.00 0.00 C ATOM 0 H PHE A 23 -10.644 2.730 -6.984 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.690 -0.137 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.533 1.637 -5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.652 -0.112 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.498 -1.466 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.505 2.710 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.168 -1.619 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.175 2.561 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.002 0.396 -3.857 1.00 0.00 H new ATOM 309 N CYS A 24 -13.479 1.623 -7.134 1.00 0.00 N ATOM 310 CA CYS A 24 -14.904 1.624 -7.445 1.00 0.00 C ATOM 311 C CYS A 24 -15.551 0.304 -7.038 1.00 0.00 C ATOM 312 O CYS A 24 -16.534 -0.128 -7.639 1.00 0.00 O ATOM 313 CB CYS A 24 -15.122 1.874 -8.938 1.00 0.00 C ATOM 314 SG CYS A 24 -14.990 0.389 -9.961 1.00 0.00 S ATOM 0 H CYS A 24 -13.146 2.473 -6.679 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.373 2.428 -6.878 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -16.109 2.315 -9.082 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.392 2.606 -9.283 1.00 0.00 H new ATOM 0 HG CYS A 24 -14.169 -0.451 -9.403 1.00 0.00 H new ATOM 320 N ARG A 25 -14.990 -0.333 -6.016 1.00 0.00 N ATOM 321 CA ARG A 25 -15.509 -1.606 -5.530 1.00 0.00 C ATOM 322 C ARG A 25 -16.419 -1.397 -4.323 1.00 0.00 C ATOM 323 O ARG A 25 -16.182 -0.534 -3.478 1.00 0.00 O ATOM 324 CB ARG A 25 -14.358 -2.543 -5.159 1.00 0.00 C ATOM 325 CG ARG A 25 -13.692 -3.195 -6.360 1.00 0.00 C ATOM 326 CD ARG A 25 -12.681 -4.247 -5.932 1.00 0.00 C ATOM 327 NE ARG A 25 -11.594 -4.386 -6.897 1.00 0.00 N ATOM 328 CZ ARG A 25 -10.766 -5.424 -6.928 1.00 0.00 C ATOM 329 NH1 ARG A 25 -10.902 -6.410 -6.052 1.00 0.00 N ATOM 330 NH2 ARG A 25 -9.801 -5.478 -7.837 1.00 0.00 N ATOM 0 H ARG A 25 -14.175 0.012 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 25 -16.094 -2.060 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.610 -1.982 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.734 -3.322 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.451 -3.654 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.194 -2.433 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.270 -3.980 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.185 -5.206 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.463 -3.645 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.644 -6.372 -5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.265 -7.206 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.694 -4.722 -8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.166 -6.276 -7.860 1.00 0.00 H new ATOM 344 N PRO A 26 -17.487 -2.205 -4.240 1.00 0.00 N ATOM 345 CA PRO A 26 -18.454 -2.128 -3.141 1.00 0.00 C ATOM 346 C PRO A 26 -17.866 -2.606 -1.817 1.00 0.00 C ATOM 347 O PRO A 26 -17.199 -3.640 -1.760 1.00 0.00 O ATOM 348 CB PRO A 26 -19.580 -3.061 -3.593 1.00 0.00 C ATOM 349 CG PRO A 26 -18.924 -4.024 -4.521 1.00 0.00 C ATOM 350 CD PRO A 26 -17.832 -3.256 -5.212 1.00 0.00 C ATOM 0 HA PRO A 26 -18.779 -1.104 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -20.033 -3.574 -2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -20.375 -2.508 -4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.517 -4.876 -3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -19.639 -4.420 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.975 -3.891 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.174 -2.833 -6.157 1.00 0.00 H new ATOM 358 N HIS A 27 -18.117 -1.847 -0.755 1.00 0.00 N ATOM 359 CA HIS A 27 -17.614 -2.194 0.569 1.00 0.00 C ATOM 360 C HIS A 27 -16.139 -2.579 0.505 1.00 0.00 C ATOM 361 O HIS A 27 -15.681 -3.445 1.250 1.00 0.00 O ATOM 362 CB HIS A 27 -18.427 -3.345 1.162 1.00 0.00 C ATOM 363 CG HIS A 27 -19.904 -3.097 1.160 1.00 0.00 C ATOM 364 ND1 HIS A 27 -20.520 -2.216 2.023 1.00 0.00 N ATOM 365 CD2 HIS A 27 -20.889 -3.620 0.393 1.00 0.00 C ATOM 366 CE1 HIS A 27 -21.820 -2.209 1.788 1.00 0.00 C ATOM 367 NE2 HIS A 27 -22.070 -3.052 0.803 1.00 0.00 N ATOM 0 H HIS A 27 -18.666 -0.988 -0.786 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.717 -1.319 1.210 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -18.219 -4.254 0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.098 -3.522 2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.768 -4.349 -0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -22.554 -1.615 2.312 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.991 -3.249 0.411 1.00 0.00 H new ATOM 376 N GLU A 28 -15.400 -1.928 -0.389 1.00 0.00 N ATOM 377 CA GLU A 28 -13.978 -2.204 -0.549 1.00 0.00 C ATOM 378 C GLU A 28 -13.146 -0.955 -0.269 1.00 0.00 C ATOM 379 O GLU A 28 -11.921 -1.021 -0.176 1.00 0.00 O ATOM 380 CB GLU A 28 -13.691 -2.714 -1.963 1.00 0.00 C ATOM 381 CG GLU A 28 -13.823 -4.220 -2.106 1.00 0.00 C ATOM 382 CD GLU A 28 -12.993 -4.978 -1.088 1.00 0.00 C ATOM 383 OE1 GLU A 28 -11.874 -4.520 -0.775 1.00 0.00 O ATOM 384 OE2 GLU A 28 -13.462 -6.029 -0.604 1.00 0.00 O ATOM 0 H GLU A 28 -15.763 -1.207 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.700 -2.974 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.375 -2.230 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.682 -2.418 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.870 -4.501 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.517 -4.514 -3.110 1.00 0.00 H new ATOM 391 N TRP A 29 -13.822 0.180 -0.135 1.00 0.00 N ATOM 392 CA TRP A 29 -13.146 1.444 0.135 1.00 0.00 C ATOM 393 C TRP A 29 -13.680 2.085 1.411 1.00 0.00 C ATOM 394 O TRP A 29 -14.876 2.349 1.529 1.00 0.00 O ATOM 395 CB TRP A 29 -13.323 2.402 -1.045 1.00 0.00 C ATOM 396 CG TRP A 29 -13.059 3.834 -0.691 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.984 4.777 -0.344 1.00 0.00 C ATOM 398 CD2 TRP A 29 -11.785 4.486 -0.653 1.00 0.00 C ATOM 399 NE1 TRP A 29 -13.361 5.976 -0.092 1.00 0.00 N ATOM 400 CE2 TRP A 29 -12.012 5.824 -0.274 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.474 4.070 -0.900 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.977 6.745 -0.138 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -9.448 4.986 -0.765 1.00 0.00 C ATOM 404 CH2 TRP A 29 -9.704 6.311 -0.386 1.00 0.00 C ATOM 0 H TRP A 29 -14.837 0.251 -0.209 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.084 1.238 0.271 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.651 2.104 -1.850 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.339 2.311 -1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -15.048 4.606 -0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -13.828 6.839 0.186 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.266 3.051 -1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.172 7.766 0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.431 4.675 -0.955 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.880 7.002 -0.288 1.00 0.00 H new ATOM 415 N GLU A 30 -12.786 2.334 2.362 1.00 0.00 N ATOM 416 CA GLU A 30 -13.169 2.944 3.630 1.00 0.00 C ATOM 417 C GLU A 30 -12.100 3.921 4.109 1.00 0.00 C ATOM 418 O GLU A 30 -10.903 3.675 3.953 1.00 0.00 O ATOM 419 CB GLU A 30 -13.404 1.866 4.690 1.00 0.00 C ATOM 420 CG GLU A 30 -13.870 2.418 6.027 1.00 0.00 C ATOM 421 CD GLU A 30 -15.372 2.617 6.084 1.00 0.00 C ATOM 422 OE1 GLU A 30 -15.950 3.070 5.075 1.00 0.00 O ATOM 423 OE2 GLU A 30 -15.969 2.317 7.140 1.00 0.00 O ATOM 0 H GLU A 30 -11.792 2.123 2.279 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.096 3.496 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.147 1.160 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.480 1.308 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.567 1.737 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.374 3.370 6.216 1.00 0.00 H new ATOM 430 N VAL A 31 -12.539 5.031 4.693 1.00 0.00 N ATOM 431 CA VAL A 31 -11.620 6.046 5.197 1.00 0.00 C ATOM 432 C VAL A 31 -11.798 6.252 6.697 1.00 0.00 C ATOM 433 O VAL A 31 -12.693 6.977 7.133 1.00 0.00 O ATOM 434 CB VAL A 31 -11.822 7.392 4.477 1.00 0.00 C ATOM 435 CG1 VAL A 31 -11.027 8.491 5.166 1.00 0.00 C ATOM 436 CG2 VAL A 31 -11.429 7.277 3.012 1.00 0.00 C ATOM 0 H VAL A 31 -13.526 5.251 4.829 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.610 5.685 5.000 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.879 7.655 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.182 9.435 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.361 8.589 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.967 8.238 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.578 8.238 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.380 6.990 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.047 6.521 2.528 1.00 0.00 H new ATOM 446 N LEU A 32 -10.939 5.611 7.482 1.00 0.00 N ATOM 447 CA LEU A 32 -11.000 5.724 8.935 1.00 0.00 C ATOM 448 C LEU A 32 -11.404 7.134 9.355 1.00 0.00 C ATOM 449 O LEU A 32 -12.503 7.349 9.865 1.00 0.00 O ATOM 450 CB LEU A 32 -9.646 5.365 9.551 1.00 0.00 C ATOM 451 CG LEU A 32 -9.053 4.020 9.130 1.00 0.00 C ATOM 452 CD1 LEU A 32 -7.738 3.768 9.851 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.039 2.893 9.404 1.00 0.00 C ATOM 0 H LEU A 32 -10.192 5.008 7.137 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.755 5.026 9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.934 6.149 9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.750 5.370 10.636 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.856 4.050 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.331 2.806 9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.030 4.559 9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.909 3.757 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.600 1.943 9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.268 2.861 10.469 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.956 3.067 8.841 1.00 0.00 H new ATOM 465 N SER A 33 -10.508 8.091 9.135 1.00 0.00 N ATOM 466 CA SER A 33 -10.771 9.481 9.492 1.00 0.00 C ATOM 467 C SER A 33 -9.837 10.421 8.736 1.00 0.00 C ATOM 468 O SER A 33 -8.686 10.082 8.461 1.00 0.00 O ATOM 469 CB SER A 33 -10.606 9.682 10.999 1.00 0.00 C ATOM 470 OG SER A 33 -11.784 9.314 11.695 1.00 0.00 O ATOM 0 H SER A 33 -9.594 7.930 8.712 1.00 0.00 H new ATOM 0 HA SER A 33 -11.798 9.715 9.212 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.767 9.087 11.359 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.369 10.726 11.206 1.00 0.00 H new ATOM 0 HG SER A 33 -12.296 8.674 11.157 1.00 0.00 H new ATOM 476 N ARG A 34 -10.343 11.605 8.404 1.00 0.00 N ATOM 477 CA ARG A 34 -9.555 12.595 7.679 1.00 0.00 C ATOM 478 C ARG A 34 -9.517 13.919 8.437 1.00 0.00 C ATOM 479 O ARG A 34 -10.546 14.413 8.897 1.00 0.00 O ATOM 480 CB ARG A 34 -10.134 12.813 6.280 1.00 0.00 C ATOM 481 CG ARG A 34 -11.653 12.797 6.239 1.00 0.00 C ATOM 482 CD ARG A 34 -12.170 12.560 4.829 1.00 0.00 C ATOM 483 NE ARG A 34 -13.619 12.377 4.800 1.00 0.00 N ATOM 484 CZ ARG A 34 -14.348 12.455 3.693 1.00 0.00 C ATOM 485 NH1 ARG A 34 -13.766 12.709 2.529 1.00 0.00 N ATOM 486 NH2 ARG A 34 -15.662 12.277 3.748 1.00 0.00 N ATOM 0 H ARG A 34 -11.294 11.901 8.625 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.536 12.218 7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.779 13.769 5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.753 12.039 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.028 12.016 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.038 13.745 6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.899 13.405 4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.685 11.679 4.409 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.097 12.178 5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.756 12.845 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.328 12.768 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.113 12.080 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.221 12.337 2.897 1.00 0.00 H new ATOM 500 N SER A 35 -8.322 14.489 8.562 1.00 0.00 N ATOM 501 CA SER A 35 -8.149 15.753 9.267 1.00 0.00 C ATOM 502 C SER A 35 -7.755 16.865 8.300 1.00 0.00 C ATOM 503 O SER A 35 -7.193 16.607 7.236 1.00 0.00 O ATOM 504 CB SER A 35 -7.086 15.611 10.358 1.00 0.00 C ATOM 505 OG SER A 35 -7.277 16.569 11.385 1.00 0.00 O ATOM 0 H SER A 35 -7.460 14.095 8.184 1.00 0.00 H new ATOM 0 HA SER A 35 -9.101 16.016 9.728 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.126 14.607 10.781 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.095 15.734 9.922 1.00 0.00 H new ATOM 0 HG SER A 35 -7.426 16.109 12.238 1.00 0.00 H new ATOM 511 N GLU A 36 -8.056 18.104 8.678 1.00 0.00 N ATOM 512 CA GLU A 36 -7.735 19.256 7.843 1.00 0.00 C ATOM 513 C GLU A 36 -6.225 19.417 7.696 1.00 0.00 C ATOM 514 O GLU A 36 -5.715 19.630 6.595 1.00 0.00 O ATOM 515 CB GLU A 36 -8.339 20.529 8.439 1.00 0.00 C ATOM 516 CG GLU A 36 -8.362 21.702 7.473 1.00 0.00 C ATOM 517 CD GLU A 36 -9.285 22.815 7.928 1.00 0.00 C ATOM 518 OE1 GLU A 36 -10.517 22.613 7.896 1.00 0.00 O ATOM 519 OE2 GLU A 36 -8.776 23.887 8.316 1.00 0.00 O ATOM 0 H GLU A 36 -8.521 18.335 9.556 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.163 19.087 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.357 20.319 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.770 20.810 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.352 22.096 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.678 21.352 6.490 1.00 0.00 H new ATOM 526 N THR A 37 -5.512 19.313 8.814 1.00 0.00 N ATOM 527 CA THR A 37 -4.061 19.448 8.811 1.00 0.00 C ATOM 528 C THR A 37 -3.401 18.303 9.570 1.00 0.00 C ATOM 529 O THR A 37 -2.407 17.736 9.115 1.00 0.00 O ATOM 530 CB THR A 37 -3.621 20.785 9.437 1.00 0.00 C ATOM 531 OG1 THR A 37 -2.192 20.882 9.430 1.00 0.00 O ATOM 532 CG2 THR A 37 -4.135 20.911 10.863 1.00 0.00 C ATOM 0 H THR A 37 -5.917 19.136 9.733 1.00 0.00 H new ATOM 0 HA THR A 37 -3.743 19.420 7.769 1.00 0.00 H new ATOM 0 HB THR A 37 -4.044 21.595 8.843 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.920 21.735 9.828 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.811 21.863 11.284 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.224 20.866 10.863 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.738 20.094 11.466 1.00 0.00 H new ATOM 540 N ASP A 38 -3.959 17.967 10.727 1.00 0.00 N ATOM 541 CA ASP A 38 -3.424 16.887 11.549 1.00 0.00 C ATOM 542 C ASP A 38 -2.983 15.712 10.682 1.00 0.00 C ATOM 543 O ASP A 38 -2.113 14.933 11.070 1.00 0.00 O ATOM 544 CB ASP A 38 -4.471 16.423 12.564 1.00 0.00 C ATOM 545 CG ASP A 38 -3.852 15.708 13.748 1.00 0.00 C ATOM 546 OD1 ASP A 38 -3.177 16.377 14.559 1.00 0.00 O ATOM 547 OD2 ASP A 38 -4.040 14.479 13.864 1.00 0.00 O ATOM 0 H ASP A 38 -4.782 18.426 11.118 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.554 17.268 12.084 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.036 17.285 12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.180 15.758 12.072 1.00 0.00 H new ATOM 552 N GLY A 39 -3.591 15.590 9.505 1.00 0.00 N ATOM 553 CA GLY A 39 -3.248 14.507 8.602 1.00 0.00 C ATOM 554 C GLY A 39 -4.470 13.766 8.095 1.00 0.00 C ATOM 555 O GLY A 39 -5.599 14.230 8.258 1.00 0.00 O ATOM 0 H GLY A 39 -4.314 16.222 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.692 14.907 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.588 13.806 9.114 1.00 0.00 H new ATOM 559 N THR A 40 -4.246 12.611 7.477 1.00 0.00 N ATOM 560 CA THR A 40 -5.336 11.806 6.941 1.00 0.00 C ATOM 561 C THR A 40 -5.043 10.317 7.084 1.00 0.00 C ATOM 562 O THR A 40 -4.020 9.828 6.605 1.00 0.00 O ATOM 563 CB THR A 40 -5.595 12.127 5.457 1.00 0.00 C ATOM 564 OG1 THR A 40 -5.899 13.518 5.302 1.00 0.00 O ATOM 565 CG2 THR A 40 -6.743 11.289 4.914 1.00 0.00 C ATOM 0 H THR A 40 -3.318 12.212 7.335 1.00 0.00 H new ATOM 0 HA THR A 40 -6.226 12.055 7.519 1.00 0.00 H new ATOM 0 HB THR A 40 -4.693 11.887 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.061 13.714 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.907 11.533 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.497 10.231 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.649 11.501 5.482 1.00 0.00 H new ATOM 573 N VAL A 41 -5.947 9.601 7.745 1.00 0.00 N ATOM 574 CA VAL A 41 -5.785 8.167 7.949 1.00 0.00 C ATOM 575 C VAL A 41 -6.925 7.388 7.303 1.00 0.00 C ATOM 576 O VAL A 41 -8.086 7.532 7.687 1.00 0.00 O ATOM 577 CB VAL A 41 -5.723 7.816 9.447 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.499 6.324 9.638 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.631 8.620 10.137 1.00 0.00 C ATOM 0 H VAL A 41 -6.799 9.991 8.148 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.843 7.885 7.478 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.678 8.076 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.458 6.096 10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.319 5.771 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.559 6.034 9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.601 8.360 11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.668 8.393 9.680 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.841 9.684 10.031 1.00 0.00 H new ATOM 589 N PHE A 42 -6.587 6.561 6.319 1.00 0.00 N ATOM 590 CA PHE A 42 -7.583 5.758 5.619 1.00 0.00 C ATOM 591 C PHE A 42 -7.068 4.342 5.378 1.00 0.00 C ATOM 592 O PHE A 42 -5.863 4.117 5.271 1.00 0.00 O ATOM 593 CB PHE A 42 -7.949 6.412 4.285 1.00 0.00 C ATOM 594 CG PHE A 42 -6.868 6.306 3.248 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.735 5.159 2.482 1.00 0.00 C ATOM 596 CD2 PHE A 42 -5.985 7.353 3.038 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.741 5.058 1.527 1.00 0.00 C ATOM 598 CE2 PHE A 42 -4.989 7.258 2.085 1.00 0.00 C ATOM 599 CZ PHE A 42 -4.868 6.110 1.327 1.00 0.00 C ATOM 0 H PHE A 42 -5.631 6.429 5.988 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.473 5.701 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.857 5.949 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.176 7.464 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.416 4.334 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.076 8.254 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.647 4.158 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.306 8.081 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.092 6.035 0.579 1.00 0.00 H new ATOM 609 N ARG A 43 -7.992 3.389 5.296 1.00 0.00 N ATOM 610 CA ARG A 43 -7.633 1.994 5.071 1.00 0.00 C ATOM 611 C ARG A 43 -8.568 1.350 4.051 1.00 0.00 C ATOM 612 O ARG A 43 -9.790 1.411 4.191 1.00 0.00 O ATOM 613 CB ARG A 43 -7.680 1.215 6.386 1.00 0.00 C ATOM 614 CG ARG A 43 -7.596 -0.292 6.204 1.00 0.00 C ATOM 615 CD ARG A 43 -7.725 -1.021 7.532 1.00 0.00 C ATOM 616 NE ARG A 43 -9.119 -1.277 7.883 1.00 0.00 N ATOM 617 CZ ARG A 43 -9.495 -1.907 8.991 1.00 0.00 C ATOM 618 NH1 ARG A 43 -8.585 -2.342 9.851 1.00 0.00 N ATOM 619 NH2 ARG A 43 -10.783 -2.102 9.240 1.00 0.00 N ATOM 0 H ARG A 43 -8.994 3.558 5.382 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.617 1.965 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.857 1.542 7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.604 1.458 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.385 -0.623 5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.646 -0.551 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.185 -1.966 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.256 -0.428 8.318 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.844 -0.954 7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.594 -2.193 9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.876 -2.825 10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.486 -1.768 8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.070 -2.586 10.091 1.00 0.00 H new ATOM 633 N ILE A 44 -7.986 0.735 3.028 1.00 0.00 N ATOM 634 CA ILE A 44 -8.767 0.080 1.986 1.00 0.00 C ATOM 635 C ILE A 44 -8.378 -1.388 1.849 1.00 0.00 C ATOM 636 O ILE A 44 -7.210 -1.748 1.995 1.00 0.00 O ATOM 637 CB ILE A 44 -8.586 0.777 0.624 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.132 0.668 0.161 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.011 2.235 0.714 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.840 -0.592 -0.623 1.00 0.00 C ATOM 0 H ILE A 44 -6.976 0.676 2.898 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.813 0.150 2.284 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.220 0.279 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.890 1.534 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.478 0.704 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.877 2.714 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.060 2.291 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.401 2.747 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.791 -0.602 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.050 -1.463 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.468 -0.620 -1.513 1.00 0.00 H new ATOM 652 N HIS A 45 -9.365 -2.232 1.565 1.00 0.00 N ATOM 653 CA HIS A 45 -9.126 -3.662 1.405 1.00 0.00 C ATOM 654 C HIS A 45 -8.854 -4.007 -0.056 1.00 0.00 C ATOM 655 O HIS A 45 -9.626 -3.646 -0.945 1.00 0.00 O ATOM 656 CB HIS A 45 -10.326 -4.461 1.915 1.00 0.00 C ATOM 657 CG HIS A 45 -10.234 -4.818 3.366 1.00 0.00 C ATOM 658 ND1 HIS A 45 -10.952 -5.850 3.934 1.00 0.00 N ATOM 659 CD2 HIS A 45 -9.503 -4.275 4.367 1.00 0.00 C ATOM 660 CE1 HIS A 45 -10.666 -5.925 5.222 1.00 0.00 C ATOM 661 NE2 HIS A 45 -9.789 -4.981 5.510 1.00 0.00 N ATOM 0 H HIS A 45 -10.338 -1.950 1.441 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.247 -3.927 1.992 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.235 -3.882 1.748 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.419 -5.376 1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.821 -3.441 4.283 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.079 -6.637 5.920 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.389 -4.805 6.432 1.00 0.00 H new ATOM 670 N THR A 46 -7.750 -4.708 -0.298 1.00 0.00 N ATOM 671 CA THR A 46 -7.375 -5.100 -1.650 1.00 0.00 C ATOM 672 C THR A 46 -6.926 -6.556 -1.696 1.00 0.00 C ATOM 673 O THR A 46 -6.561 -7.137 -0.673 1.00 0.00 O ATOM 674 CB THR A 46 -6.245 -4.209 -2.200 1.00 0.00 C ATOM 675 OG1 THR A 46 -6.112 -4.403 -3.613 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.925 -4.524 -1.514 1.00 0.00 C ATOM 0 H THR A 46 -7.100 -5.016 0.426 1.00 0.00 H new ATOM 0 HA THR A 46 -8.261 -4.976 -2.272 1.00 0.00 H new ATOM 0 HB THR A 46 -6.502 -3.169 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.393 -3.832 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.142 -3.882 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.021 -4.348 -0.443 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.665 -5.568 -1.688 1.00 0.00 H new ATOM 684 N LYS A 47 -6.954 -7.142 -2.888 1.00 0.00 N ATOM 685 CA LYS A 47 -6.548 -8.531 -3.068 1.00 0.00 C ATOM 686 C LYS A 47 -5.522 -8.657 -4.190 1.00 0.00 C ATOM 687 O LYS A 47 -5.751 -8.195 -5.308 1.00 0.00 O ATOM 688 CB LYS A 47 -7.766 -9.404 -3.376 1.00 0.00 C ATOM 689 CG LYS A 47 -8.405 -9.104 -4.722 1.00 0.00 C ATOM 690 CD LYS A 47 -9.645 -9.951 -4.951 1.00 0.00 C ATOM 691 CE LYS A 47 -9.885 -10.199 -6.433 1.00 0.00 C ATOM 692 NZ LYS A 47 -8.776 -10.977 -7.052 1.00 0.00 N ATOM 0 H LYS A 47 -7.254 -6.676 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.089 -8.872 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.467 -10.452 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.510 -9.265 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.670 -8.048 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.684 -9.290 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.536 -10.905 -4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.513 -9.452 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.824 -10.738 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.991 -9.244 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.311 -10.399 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.083 -11.235 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.159 -11.841 -7.487 1.00 0.00 H new ATOM 706 N ALA A 48 -4.392 -9.285 -3.885 1.00 0.00 N ATOM 707 CA ALA A 48 -3.333 -9.474 -4.869 1.00 0.00 C ATOM 708 C ALA A 48 -3.552 -10.752 -5.672 1.00 0.00 C ATOM 709 O ALA A 48 -4.554 -11.444 -5.493 1.00 0.00 O ATOM 710 CB ALA A 48 -1.975 -9.506 -4.183 1.00 0.00 C ATOM 0 H ALA A 48 -4.186 -9.672 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.359 -8.632 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.194 -9.648 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.810 -8.565 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.948 -10.329 -3.468 1.00 0.00 H new ATOM 716 N GLU A 49 -2.610 -11.058 -6.558 1.00 0.00 N ATOM 717 CA GLU A 49 -2.702 -12.252 -7.390 1.00 0.00 C ATOM 718 C GLU A 49 -2.307 -13.496 -6.601 1.00 0.00 C ATOM 719 O GLU A 49 -2.242 -14.597 -7.147 1.00 0.00 O ATOM 720 CB GLU A 49 -1.808 -12.111 -8.624 1.00 0.00 C ATOM 721 CG GLU A 49 -2.299 -11.070 -9.616 1.00 0.00 C ATOM 722 CD GLU A 49 -1.399 -10.953 -10.831 1.00 0.00 C ATOM 723 OE1 GLU A 49 -0.840 -11.985 -11.257 1.00 0.00 O ATOM 724 OE2 GLU A 49 -1.253 -9.829 -11.356 1.00 0.00 O ATOM 0 H GLU A 49 -1.774 -10.496 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.738 -12.361 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.800 -11.848 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.741 -13.076 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.308 -11.328 -9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.361 -10.101 -9.120 1.00 0.00 H new ATOM 731 N GLY A 50 -2.043 -13.313 -5.310 1.00 0.00 N ATOM 732 CA GLY A 50 -1.657 -14.429 -4.466 1.00 0.00 C ATOM 733 C GLY A 50 -0.411 -15.131 -4.968 1.00 0.00 C ATOM 734 O GLY A 50 0.514 -14.489 -5.467 1.00 0.00 O ATOM 0 H GLY A 50 -2.090 -12.412 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.485 -14.071 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.478 -15.144 -4.416 1.00 0.00 H new ATOM 738 N PHE A 51 -0.385 -16.453 -4.835 1.00 0.00 N ATOM 739 CA PHE A 51 0.759 -17.243 -5.277 1.00 0.00 C ATOM 740 C PHE A 51 0.334 -18.287 -6.306 1.00 0.00 C ATOM 741 O PHE A 51 1.095 -18.626 -7.212 1.00 0.00 O ATOM 742 CB PHE A 51 1.423 -17.930 -4.081 1.00 0.00 C ATOM 743 CG PHE A 51 2.297 -17.015 -3.273 1.00 0.00 C ATOM 744 CD1 PHE A 51 1.750 -15.950 -2.575 1.00 0.00 C ATOM 745 CD2 PHE A 51 3.666 -17.218 -3.213 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.552 -15.106 -1.830 1.00 0.00 C ATOM 747 CE2 PHE A 51 4.473 -16.377 -2.469 1.00 0.00 C ATOM 748 CZ PHE A 51 3.915 -15.319 -1.778 1.00 0.00 C ATOM 0 H PHE A 51 -1.142 -17.000 -4.425 1.00 0.00 H new ATOM 0 HA PHE A 51 1.476 -16.569 -5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.649 -18.344 -3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.021 -18.768 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.685 -15.777 -2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.108 -18.042 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.113 -14.281 -1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.539 -16.547 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.544 -14.660 -1.198 1.00 0.00 H new ATOM 758 N MET A 52 -0.886 -18.792 -6.158 1.00 0.00 N ATOM 759 CA MET A 52 -1.413 -19.796 -7.075 1.00 0.00 C ATOM 760 C MET A 52 -2.817 -19.424 -7.542 1.00 0.00 C ATOM 761 O MET A 52 -3.810 -19.902 -6.994 1.00 0.00 O ATOM 762 CB MET A 52 -1.435 -21.170 -6.403 1.00 0.00 C ATOM 763 CG MET A 52 -1.871 -21.128 -4.947 1.00 0.00 C ATOM 764 SD MET A 52 -1.285 -22.548 -4.004 1.00 0.00 S ATOM 765 CE MET A 52 -2.144 -23.883 -4.834 1.00 0.00 C ATOM 0 H MET A 52 -1.528 -18.523 -5.412 1.00 0.00 H new ATOM 0 HA MET A 52 -0.758 -19.835 -7.945 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.108 -21.825 -6.956 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.440 -21.611 -6.463 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.499 -20.213 -4.487 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.959 -21.089 -4.899 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.954 -24.819 -4.309 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.215 -23.680 -4.838 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.786 -23.963 -5.861 1.00 0.00 H new ATOM 775 N ASP A 53 -2.891 -18.568 -8.555 1.00 0.00 N ATOM 776 CA ASP A 53 -4.173 -18.132 -9.095 1.00 0.00 C ATOM 777 C ASP A 53 -5.215 -18.005 -7.988 1.00 0.00 C ATOM 778 O ASP A 53 -6.358 -18.432 -8.146 1.00 0.00 O ATOM 779 CB ASP A 53 -4.661 -19.113 -10.162 1.00 0.00 C ATOM 780 CG ASP A 53 -5.524 -18.443 -11.213 1.00 0.00 C ATOM 781 OD1 ASP A 53 -6.740 -18.286 -10.973 1.00 0.00 O ATOM 782 OD2 ASP A 53 -4.983 -18.074 -12.277 1.00 0.00 O ATOM 0 H ASP A 53 -2.078 -18.162 -9.019 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.033 -17.152 -9.551 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.801 -19.578 -10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.229 -19.912 -9.685 1.00 0.00 H new ATOM 787 N ALA A 54 -4.811 -17.416 -6.867 1.00 0.00 N ATOM 788 CA ALA A 54 -5.709 -17.233 -5.734 1.00 0.00 C ATOM 789 C ALA A 54 -5.637 -15.806 -5.202 1.00 0.00 C ATOM 790 O ALA A 54 -4.675 -15.083 -5.463 1.00 0.00 O ATOM 791 CB ALA A 54 -5.377 -18.227 -4.631 1.00 0.00 C ATOM 0 H ALA A 54 -3.868 -17.058 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.728 -17.414 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.056 -18.079 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.487 -19.243 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.350 -18.073 -4.299 1.00 0.00 H new ATOM 797 N ASP A 55 -6.660 -15.405 -4.455 1.00 0.00 N ATOM 798 CA ASP A 55 -6.713 -14.064 -3.885 1.00 0.00 C ATOM 799 C ASP A 55 -6.327 -14.084 -2.410 1.00 0.00 C ATOM 800 O ASP A 55 -6.762 -14.956 -1.657 1.00 0.00 O ATOM 801 CB ASP A 55 -8.113 -13.471 -4.051 1.00 0.00 C ATOM 802 CG ASP A 55 -8.805 -13.962 -5.307 1.00 0.00 C ATOM 803 OD1 ASP A 55 -8.177 -13.917 -6.386 1.00 0.00 O ATOM 804 OD2 ASP A 55 -9.974 -14.390 -5.212 1.00 0.00 O ATOM 0 H ASP A 55 -7.464 -15.990 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.997 -13.440 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.719 -13.728 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.043 -12.384 -4.080 1.00 0.00 H new ATOM 809 N ILE A 56 -5.508 -13.120 -2.004 1.00 0.00 N ATOM 810 CA ILE A 56 -5.064 -13.028 -0.619 1.00 0.00 C ATOM 811 C ILE A 56 -5.538 -11.730 0.026 1.00 0.00 C ATOM 812 O ILE A 56 -5.501 -10.658 -0.579 1.00 0.00 O ATOM 813 CB ILE A 56 -3.529 -13.110 -0.513 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.024 -14.425 -1.110 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.091 -12.978 0.938 1.00 0.00 C ATOM 816 CD1 ILE A 56 -3.463 -15.648 -0.335 1.00 0.00 C ATOM 0 H ILE A 56 -5.138 -12.391 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.503 -13.875 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.096 -12.286 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.379 -14.509 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.935 -14.402 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.004 -13.038 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.423 -12.018 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.531 -13.784 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.069 -16.544 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.085 -15.587 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.552 -15.696 -0.316 1.00 0.00 H new ATOM 828 N PRO A 57 -5.994 -11.826 1.283 1.00 0.00 N ATOM 829 CA PRO A 57 -6.482 -10.668 2.039 1.00 0.00 C ATOM 830 C PRO A 57 -5.360 -9.706 2.415 1.00 0.00 C ATOM 831 O PRO A 57 -4.754 -9.829 3.480 1.00 0.00 O ATOM 832 CB PRO A 57 -7.091 -11.296 3.295 1.00 0.00 C ATOM 833 CG PRO A 57 -6.375 -12.592 3.457 1.00 0.00 C ATOM 834 CD PRO A 57 -6.067 -13.072 2.065 1.00 0.00 C ATOM 0 HA PRO A 57 -7.186 -10.071 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.951 -10.655 4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.164 -11.448 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.461 -12.463 4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.992 -13.315 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.128 -13.625 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.843 -13.738 1.688 1.00 0.00 H new ATOM 842 N LEU A 58 -5.089 -8.749 1.534 1.00 0.00 N ATOM 843 CA LEU A 58 -4.040 -7.764 1.774 1.00 0.00 C ATOM 844 C LEU A 58 -4.626 -6.465 2.317 1.00 0.00 C ATOM 845 O LEU A 58 -5.518 -5.874 1.709 1.00 0.00 O ATOM 846 CB LEU A 58 -3.267 -7.488 0.483 1.00 0.00 C ATOM 847 CG LEU A 58 -1.969 -6.694 0.634 1.00 0.00 C ATOM 848 CD1 LEU A 58 -0.850 -7.592 1.138 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.583 -6.047 -0.688 1.00 0.00 C ATOM 0 H LEU A 58 -5.581 -8.634 0.648 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.357 -8.172 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.033 -8.443 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.922 -6.948 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.131 -5.904 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.066 -7.010 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.125 -8.007 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.687 -8.404 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.657 -5.486 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.439 -6.820 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.376 -5.371 -1.007 1.00 0.00 H new ATOM 861 N GLU A 59 -4.116 -6.025 3.463 1.00 0.00 N ATOM 862 CA GLU A 59 -4.589 -4.794 4.086 1.00 0.00 C ATOM 863 C GLU A 59 -3.541 -3.691 3.975 1.00 0.00 C ATOM 864 O GLU A 59 -2.570 -3.662 4.732 1.00 0.00 O ATOM 865 CB GLU A 59 -4.931 -5.040 5.557 1.00 0.00 C ATOM 866 CG GLU A 59 -5.711 -3.905 6.199 1.00 0.00 C ATOM 867 CD GLU A 59 -5.982 -4.142 7.672 1.00 0.00 C ATOM 868 OE1 GLU A 59 -6.954 -4.861 7.987 1.00 0.00 O ATOM 869 OE2 GLU A 59 -5.223 -3.610 8.509 1.00 0.00 O ATOM 0 H GLU A 59 -3.376 -6.502 3.978 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.488 -4.473 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.511 -5.959 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.008 -5.196 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.155 -2.975 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.658 -3.779 5.675 1.00 0.00 H new ATOM 876 N LEU A 60 -3.745 -2.784 3.025 1.00 0.00 N ATOM 877 CA LEU A 60 -2.818 -1.677 2.813 1.00 0.00 C ATOM 878 C LEU A 60 -3.338 -0.399 3.462 1.00 0.00 C ATOM 879 O LEU A 60 -4.261 0.238 2.953 1.00 0.00 O ATOM 880 CB LEU A 60 -2.600 -1.450 1.316 1.00 0.00 C ATOM 881 CG LEU A 60 -1.720 -2.477 0.602 1.00 0.00 C ATOM 882 CD1 LEU A 60 -2.141 -2.621 -0.852 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.254 -2.083 0.698 1.00 0.00 C ATOM 0 H LEU A 60 -4.543 -2.793 2.390 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.867 -1.937 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.574 -1.432 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.157 -0.464 1.179 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.849 -3.441 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.504 -3.356 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.179 -2.951 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.043 -1.660 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.357 -2.825 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.108 -1.108 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.041 -2.033 1.746 1.00 0.00 H new ATOM 895 N VAL A 61 -2.739 -0.028 4.589 1.00 0.00 N ATOM 896 CA VAL A 61 -3.139 1.176 5.307 1.00 0.00 C ATOM 897 C VAL A 61 -2.101 2.282 5.147 1.00 0.00 C ATOM 898 O VAL A 61 -1.044 2.252 5.778 1.00 0.00 O ATOM 899 CB VAL A 61 -3.345 0.893 6.807 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.846 2.139 7.522 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.309 -0.267 7.003 1.00 0.00 C ATOM 0 H VAL A 61 -1.975 -0.544 5.025 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.084 1.503 4.874 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.385 0.615 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.986 1.920 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.116 2.941 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.796 2.451 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.443 -0.453 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.271 -0.020 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.905 -1.160 6.527 1.00 0.00 H new ATOM 911 N PHE A 62 -2.411 3.258 4.300 1.00 0.00 N ATOM 912 CA PHE A 62 -1.505 4.374 4.056 1.00 0.00 C ATOM 913 C PHE A 62 -1.942 5.610 4.837 1.00 0.00 C ATOM 914 O PHE A 62 -3.096 6.031 4.759 1.00 0.00 O ATOM 915 CB PHE A 62 -1.447 4.696 2.561 1.00 0.00 C ATOM 916 CG PHE A 62 -1.095 3.512 1.707 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.210 3.049 1.646 1.00 0.00 C ATOM 918 CD2 PHE A 62 -2.067 2.861 0.965 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.537 1.960 0.860 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.746 1.772 0.178 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.442 1.320 0.126 1.00 0.00 C ATOM 0 H PHE A 62 -3.282 3.299 3.771 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.511 4.083 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.413 5.088 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.713 5.485 2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.980 3.545 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.089 3.209 1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.558 1.610 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.514 1.275 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.189 0.468 -0.487 1.00 0.00 H new ATOM 931 N HIS A 63 -1.011 6.187 5.591 1.00 0.00 N ATOM 932 CA HIS A 63 -1.299 7.375 6.387 1.00 0.00 C ATOM 933 C HIS A 63 -0.474 8.564 5.906 1.00 0.00 C ATOM 934 O HIS A 63 0.757 8.524 5.916 1.00 0.00 O ATOM 935 CB HIS A 63 -1.014 7.106 7.865 1.00 0.00 C ATOM 936 CG HIS A 63 -0.747 8.347 8.659 1.00 0.00 C ATOM 937 ND1 HIS A 63 0.189 8.407 9.669 1.00 0.00 N ATOM 938 CD2 HIS A 63 -1.299 9.581 8.585 1.00 0.00 C ATOM 939 CE1 HIS A 63 0.200 9.624 10.184 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.694 10.356 9.543 1.00 0.00 N ATOM 0 H HIS A 63 -0.051 5.851 5.667 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.355 7.616 6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.864 6.582 8.301 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.154 6.441 7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.072 9.897 7.900 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.832 9.963 10.991 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.901 11.337 9.730 1.00 0.00 H new ATOM 949 N LEU A 64 -1.159 9.622 5.484 1.00 0.00 N ATOM 950 CA LEU A 64 -0.490 10.823 4.998 1.00 0.00 C ATOM 951 C LEU A 64 -0.531 11.931 6.046 1.00 0.00 C ATOM 952 O LEU A 64 -1.508 12.670 6.165 1.00 0.00 O ATOM 953 CB LEU A 64 -1.143 11.306 3.703 1.00 0.00 C ATOM 954 CG LEU A 64 -1.724 10.219 2.798 1.00 0.00 C ATOM 955 CD1 LEU A 64 -2.648 10.829 1.755 1.00 0.00 C ATOM 956 CD2 LEU A 64 -0.608 9.431 2.128 1.00 0.00 C ATOM 0 H LEU A 64 -2.178 9.672 5.469 1.00 0.00 H new ATOM 0 HA LEU A 64 0.552 10.573 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.942 12.002 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.402 11.867 3.133 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.307 9.534 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.052 10.040 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.467 11.348 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.089 11.536 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.040 8.662 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.002 10.104 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.014 8.962 2.890 1.00 0.00 H new ATOM 968 N PRO A 65 0.555 12.051 6.824 1.00 0.00 N ATOM 969 CA PRO A 65 0.669 13.068 7.873 1.00 0.00 C ATOM 970 C PRO A 65 0.800 14.477 7.304 1.00 0.00 C ATOM 971 O PRO A 65 0.587 14.698 6.111 1.00 0.00 O ATOM 972 CB PRO A 65 1.947 12.671 8.615 1.00 0.00 C ATOM 973 CG PRO A 65 2.750 11.919 7.611 1.00 0.00 C ATOM 974 CD PRO A 65 1.757 11.204 6.737 1.00 0.00 C ATOM 0 HA PRO A 65 -0.217 13.099 8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.484 13.548 8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.724 12.054 9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.372 12.595 7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.421 11.212 8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.114 11.117 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.563 10.192 7.094 1.00 0.00 H new ATOM 982 N VAL A 66 1.150 15.428 8.164 1.00 0.00 N ATOM 983 CA VAL A 66 1.311 16.815 7.746 1.00 0.00 C ATOM 984 C VAL A 66 2.442 16.957 6.734 1.00 0.00 C ATOM 985 O VAL A 66 2.206 17.226 5.557 1.00 0.00 O ATOM 986 CB VAL A 66 1.594 17.735 8.949 1.00 0.00 C ATOM 987 CG1 VAL A 66 1.020 19.122 8.708 1.00 0.00 C ATOM 988 CG2 VAL A 66 1.031 17.129 10.226 1.00 0.00 C ATOM 0 H VAL A 66 1.327 15.263 9.155 1.00 0.00 H new ATOM 0 HA VAL A 66 0.372 17.116 7.281 1.00 0.00 H new ATOM 0 HB VAL A 66 2.674 17.831 9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.230 19.757 9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.476 19.555 7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.058 19.050 8.565 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.240 17.792 11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.047 17.001 10.124 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.496 16.159 10.404 1.00 0.00 H new ATOM 998 N ASN A 67 3.673 16.774 7.202 1.00 0.00 N ATOM 999 CA ASN A 67 4.843 16.881 6.337 1.00 0.00 C ATOM 1000 C ASN A 67 4.525 16.391 4.928 1.00 0.00 C ATOM 1001 O ASN A 67 4.750 17.100 3.947 1.00 0.00 O ATOM 1002 CB ASN A 67 6.008 16.078 6.918 1.00 0.00 C ATOM 1003 CG ASN A 67 6.867 16.902 7.857 1.00 0.00 C ATOM 1004 OD1 ASN A 67 6.952 16.616 9.051 1.00 0.00 O ATOM 1005 ND2 ASN A 67 7.510 17.932 7.319 1.00 0.00 N ATOM 0 H ASN A 67 3.886 16.551 8.174 1.00 0.00 H new ATOM 0 HA ASN A 67 5.127 17.932 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.618 15.212 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.626 15.698 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.104 18.523 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.410 18.132 6.324 1.00 0.00 H new ATOM 1012 N TYR A 68 4.000 15.174 4.836 1.00 0.00 N ATOM 1013 CA TYR A 68 3.652 14.587 3.547 1.00 0.00 C ATOM 1014 C TYR A 68 3.148 15.654 2.581 1.00 0.00 C ATOM 1015 O TYR A 68 2.445 16.591 2.962 1.00 0.00 O ATOM 1016 CB TYR A 68 2.589 13.502 3.727 1.00 0.00 C ATOM 1017 CG TYR A 68 1.977 13.033 2.427 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.089 13.837 1.723 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.288 11.784 1.901 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.527 13.411 0.535 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.732 11.351 0.713 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.852 12.168 0.034 1.00 0.00 C ATOM 1023 OH TYR A 68 0.295 11.741 -1.150 1.00 0.00 O ATOM 0 H TYR A 68 3.806 14.575 5.638 1.00 0.00 H new ATOM 0 HA TYR A 68 4.552 14.138 3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.036 12.649 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.799 13.883 4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.834 14.812 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.976 11.141 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.163 14.048 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.985 10.378 0.318 1.00 0.00 H new ATOM 0 HH TYR A 68 0.628 10.845 -1.364 1.00 0.00 H new ATOM 1033 N PRO A 69 3.513 15.511 1.298 1.00 0.00 N ATOM 1034 CA PRO A 69 4.350 14.400 0.834 1.00 0.00 C ATOM 1035 C PRO A 69 5.787 14.508 1.333 1.00 0.00 C ATOM 1036 O PRO A 69 6.567 13.564 1.215 1.00 0.00 O ATOM 1037 CB PRO A 69 4.302 14.534 -0.690 1.00 0.00 C ATOM 1038 CG PRO A 69 4.014 15.975 -0.935 1.00 0.00 C ATOM 1039 CD PRO A 69 3.139 16.421 0.203 1.00 0.00 C ATOM 0 HA PRO A 69 3.993 13.439 1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.248 14.237 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.528 13.897 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.935 16.557 -0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.512 16.115 -1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.322 17.463 0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.081 16.336 -0.046 1.00 0.00 H new ATOM 1047 N SER A 70 6.129 15.664 1.892 1.00 0.00 N ATOM 1048 CA SER A 70 7.473 15.896 2.407 1.00 0.00 C ATOM 1049 C SER A 70 8.061 14.614 2.987 1.00 0.00 C ATOM 1050 O SER A 70 9.210 14.265 2.712 1.00 0.00 O ATOM 1051 CB SER A 70 7.451 16.990 3.477 1.00 0.00 C ATOM 1052 OG SER A 70 6.873 18.183 2.975 1.00 0.00 O ATOM 0 H SER A 70 5.494 16.455 2.000 1.00 0.00 H new ATOM 0 HA SER A 70 8.102 16.221 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.886 16.645 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.467 17.190 3.818 1.00 0.00 H new ATOM 0 HG SER A 70 5.945 18.252 3.283 1.00 0.00 H new ATOM 1058 N CYS A 71 7.266 13.917 3.791 1.00 0.00 N ATOM 1059 CA CYS A 71 7.707 12.673 4.412 1.00 0.00 C ATOM 1060 C CYS A 71 6.968 11.478 3.820 1.00 0.00 C ATOM 1061 O CYS A 71 5.953 11.637 3.140 1.00 0.00 O ATOM 1062 CB CYS A 71 7.487 12.727 5.924 1.00 0.00 C ATOM 1063 SG CYS A 71 5.842 12.188 6.450 1.00 0.00 S ATOM 0 H CYS A 71 6.313 14.192 4.028 1.00 0.00 H new ATOM 0 HA CYS A 71 8.772 12.554 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.236 12.103 6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.650 13.748 6.268 1.00 0.00 H new ATOM 0 HG CYS A 71 5.670 10.941 6.126 1.00 0.00 H new ATOM 1069 N LEU A 72 7.482 10.281 4.082 1.00 0.00 N ATOM 1070 CA LEU A 72 6.871 9.058 3.574 1.00 0.00 C ATOM 1071 C LEU A 72 5.599 8.723 4.345 1.00 0.00 C ATOM 1072 O LEU A 72 5.508 8.923 5.557 1.00 0.00 O ATOM 1073 CB LEU A 72 7.859 7.894 3.667 1.00 0.00 C ATOM 1074 CG LEU A 72 9.292 8.192 3.225 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.222 7.059 3.628 1.00 0.00 C ATOM 1076 CD2 LEU A 72 9.349 8.422 1.722 1.00 0.00 C ATOM 0 H LEU A 72 8.320 10.132 4.643 1.00 0.00 H new ATOM 0 HA LEU A 72 6.608 9.220 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.884 7.546 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.478 7.071 3.063 1.00 0.00 H new ATOM 0 HG LEU A 72 9.624 9.102 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.237 7.289 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.204 6.941 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.893 6.133 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.376 8.633 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.997 7.530 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.714 9.268 1.459 1.00 0.00 H new ATOM 1088 N PRO A 73 4.592 8.200 3.629 1.00 0.00 N ATOM 1089 CA PRO A 73 3.308 7.824 4.227 1.00 0.00 C ATOM 1090 C PRO A 73 3.426 6.605 5.135 1.00 0.00 C ATOM 1091 O PRO A 73 4.117 5.640 4.809 1.00 0.00 O ATOM 1092 CB PRO A 73 2.432 7.504 3.013 1.00 0.00 C ATOM 1093 CG PRO A 73 3.394 7.114 1.944 1.00 0.00 C ATOM 1094 CD PRO A 73 4.631 7.935 2.181 1.00 0.00 C ATOM 0 HA PRO A 73 2.908 8.614 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.733 6.696 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.838 8.368 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.618 6.048 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.979 7.310 0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.533 7.394 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.617 8.859 1.603 1.00 0.00 H new ATOM 1102 N GLY A 74 2.746 6.654 6.276 1.00 0.00 N ATOM 1103 CA GLY A 74 2.788 5.547 7.214 1.00 0.00 C ATOM 1104 C GLY A 74 2.246 4.263 6.618 1.00 0.00 C ATOM 1105 O GLY A 74 1.048 3.991 6.698 1.00 0.00 O ATOM 0 H GLY A 74 2.166 7.441 6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.816 5.388 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.210 5.804 8.102 1.00 0.00 H new ATOM 1109 N ILE A 75 3.130 3.471 6.019 1.00 0.00 N ATOM 1110 CA ILE A 75 2.733 2.209 5.408 1.00 0.00 C ATOM 1111 C ILE A 75 2.610 1.106 6.454 1.00 0.00 C ATOM 1112 O ILE A 75 3.478 0.951 7.312 1.00 0.00 O ATOM 1113 CB ILE A 75 3.737 1.767 4.327 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.790 2.797 3.197 1.00 0.00 C ATOM 1115 CG2 ILE A 75 3.361 0.396 3.784 1.00 0.00 C ATOM 1116 CD1 ILE A 75 5.076 2.755 2.401 1.00 0.00 C ATOM 0 H ILE A 75 4.125 3.681 5.944 1.00 0.00 H new ATOM 0 HA ILE A 75 1.761 2.375 4.943 1.00 0.00 H new ATOM 0 HB ILE A 75 4.727 1.699 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.950 2.629 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.666 3.794 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.080 0.097 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.370 -0.332 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.364 0.439 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.044 3.512 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.920 2.953 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.192 1.770 1.949 1.00 0.00 H new ATOM 1128 N SER A 76 1.526 0.341 6.374 1.00 0.00 N ATOM 1129 CA SER A 76 1.288 -0.747 7.315 1.00 0.00 C ATOM 1130 C SER A 76 0.754 -1.982 6.594 1.00 0.00 C ATOM 1131 O SER A 76 -0.321 -1.947 5.994 1.00 0.00 O ATOM 1132 CB SER A 76 0.299 -0.307 8.397 1.00 0.00 C ATOM 1133 OG SER A 76 0.791 0.813 9.112 1.00 0.00 O ATOM 0 H SER A 76 0.799 0.455 5.668 1.00 0.00 H new ATOM 0 HA SER A 76 2.238 -1.003 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.659 -0.058 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.118 -1.132 9.086 1.00 0.00 H new ATOM 0 HG SER A 76 0.140 1.076 9.796 1.00 0.00 H new ATOM 1139 N ILE A 77 1.513 -3.071 6.659 1.00 0.00 N ATOM 1140 CA ILE A 77 1.116 -4.316 6.014 1.00 0.00 C ATOM 1141 C ILE A 77 0.706 -5.362 7.044 1.00 0.00 C ATOM 1142 O ILE A 77 1.509 -5.773 7.881 1.00 0.00 O ATOM 1143 CB ILE A 77 2.253 -4.886 5.144 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.770 -3.819 4.178 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.772 -6.111 4.381 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.779 -3.453 3.095 1.00 0.00 C ATOM 0 H ILE A 77 2.405 -3.116 7.151 1.00 0.00 H new ATOM 0 HA ILE A 77 0.263 -4.084 5.377 1.00 0.00 H new ATOM 0 HB ILE A 77 3.073 -5.187 5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.026 -2.923 4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.689 -4.176 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.586 -6.502 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.448 -6.875 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.937 -5.834 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.213 -2.691 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.541 -4.338 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.868 -3.065 3.551 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.550 -5.791 6.976 1.00 0.00 N ATOM 1159 CA ASN A 78 -1.068 -6.791 7.903 1.00 0.00 C ATOM 1160 C ASN A 78 -2.156 -7.633 7.243 1.00 0.00 C ATOM 1161 O ASN A 78 -3.159 -7.104 6.764 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.622 -6.115 9.158 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.758 -4.958 9.620 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.311 -5.158 10.196 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -1.220 -3.738 9.369 1.00 0.00 N ATOM 0 H ASN A 78 -1.228 -5.462 6.289 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.246 -7.448 8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.631 -5.754 8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.699 -6.850 9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.683 -2.920 9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.112 -3.619 8.889 1.00 0.00 H new ATOM 1172 N SER A 79 -1.950 -8.946 7.221 1.00 0.00 N ATOM 1173 CA SER A 79 -2.911 -9.861 6.617 1.00 0.00 C ATOM 1174 C SER A 79 -3.346 -10.929 7.616 1.00 0.00 C ATOM 1175 O SER A 79 -2.521 -11.495 8.333 1.00 0.00 O ATOM 1176 CB SER A 79 -2.307 -10.523 5.377 1.00 0.00 C ATOM 1177 OG SER A 79 -3.109 -11.604 4.935 1.00 0.00 O ATOM 0 H SER A 79 -1.126 -9.400 7.615 1.00 0.00 H new ATOM 0 HA SER A 79 -3.788 -9.285 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.211 -9.787 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.303 -10.880 5.604 1.00 0.00 H new ATOM 0 HG SER A 79 -3.747 -11.285 4.263 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.647 -11.198 7.657 1.00 0.00 N ATOM 1184 CA GLU A 80 -5.192 -12.197 8.568 1.00 0.00 C ATOM 1185 C GLU A 80 -4.630 -13.581 8.257 1.00 0.00 C ATOM 1186 O GLU A 80 -4.819 -14.525 9.024 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.719 -12.222 8.479 1.00 0.00 C ATOM 1188 CG GLU A 80 -7.386 -11.013 9.112 1.00 0.00 C ATOM 1189 CD GLU A 80 -8.870 -11.221 9.348 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -9.256 -12.344 9.737 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -9.644 -10.264 9.144 1.00 0.00 O ATOM 0 H GLU A 80 -5.343 -10.738 7.070 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.899 -11.925 9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.012 -12.281 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.088 -13.125 8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.899 -10.790 10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.243 -10.145 8.468 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.941 -13.693 7.127 1.00 0.00 N ATOM 1199 CA GLN A 81 -3.353 -14.962 6.713 1.00 0.00 C ATOM 1200 C GLN A 81 -1.843 -14.959 6.931 1.00 0.00 C ATOM 1201 O GLN A 81 -1.304 -15.821 7.626 1.00 0.00 O ATOM 1202 CB GLN A 81 -3.667 -15.238 5.242 1.00 0.00 C ATOM 1203 CG GLN A 81 -5.142 -15.486 4.971 1.00 0.00 C ATOM 1204 CD GLN A 81 -5.582 -16.882 5.369 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -5.600 -17.227 6.550 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -5.940 -17.694 4.381 1.00 0.00 N ATOM 0 H GLN A 81 -3.776 -12.921 6.481 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.789 -15.752 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.333 -14.391 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.095 -16.106 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.736 -14.753 5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.343 -15.334 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.910 -17.367 3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.245 -18.645 4.588 1.00 0.00 H new ATOM 1215 N LEU A 82 -1.166 -13.985 6.333 1.00 0.00 N ATOM 1216 CA LEU A 82 0.282 -13.870 6.461 1.00 0.00 C ATOM 1217 C LEU A 82 0.692 -13.750 7.925 1.00 0.00 C ATOM 1218 O LEU A 82 -0.134 -13.457 8.791 1.00 0.00 O ATOM 1219 CB LEU A 82 0.789 -12.658 5.677 1.00 0.00 C ATOM 1220 CG LEU A 82 0.407 -12.608 4.197 1.00 0.00 C ATOM 1221 CD1 LEU A 82 0.757 -11.253 3.601 1.00 0.00 C ATOM 1222 CD2 LEU A 82 1.099 -13.725 3.430 1.00 0.00 C ATOM 0 H LEU A 82 -1.597 -13.264 5.755 1.00 0.00 H new ATOM 0 HA LEU A 82 0.731 -14.774 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.413 -11.756 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.876 -12.631 5.752 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.670 -12.751 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.478 -11.236 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.215 -10.471 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.829 -11.080 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.816 -13.674 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.179 -13.613 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.798 -14.689 3.841 1.00 0.00 H new ATOM 1234 N THR A 83 1.973 -13.977 8.197 1.00 0.00 N ATOM 1235 CA THR A 83 2.493 -13.894 9.556 1.00 0.00 C ATOM 1236 C THR A 83 3.152 -12.543 9.811 1.00 0.00 C ATOM 1237 O THR A 83 3.271 -11.719 8.904 1.00 0.00 O ATOM 1238 CB THR A 83 3.515 -15.011 9.836 1.00 0.00 C ATOM 1239 OG1 THR A 83 4.566 -14.969 8.864 1.00 0.00 O ATOM 1240 CG2 THR A 83 2.845 -16.377 9.807 1.00 0.00 C ATOM 0 H THR A 83 2.670 -14.220 7.493 1.00 0.00 H new ATOM 0 HA THR A 83 1.642 -14.013 10.227 1.00 0.00 H new ATOM 0 HB THR A 83 3.933 -14.850 10.830 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.212 -15.682 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.587 -17.150 10.007 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.065 -16.416 10.568 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.403 -16.544 8.825 1.00 0.00 H new ATOM 1248 N ARG A 84 3.578 -12.322 11.050 1.00 0.00 N ATOM 1249 CA ARG A 84 4.224 -11.070 11.424 1.00 0.00 C ATOM 1250 C ARG A 84 5.395 -10.763 10.494 1.00 0.00 C ATOM 1251 O ARG A 84 5.391 -9.757 9.786 1.00 0.00 O ATOM 1252 CB ARG A 84 4.713 -11.136 12.872 1.00 0.00 C ATOM 1253 CG ARG A 84 5.526 -9.924 13.297 1.00 0.00 C ATOM 1254 CD ARG A 84 4.730 -8.637 13.140 1.00 0.00 C ATOM 1255 NE ARG A 84 5.166 -7.607 14.079 1.00 0.00 N ATOM 1256 CZ ARG A 84 4.492 -6.485 14.304 1.00 0.00 C ATOM 1257 NH1 ARG A 84 3.356 -6.250 13.661 1.00 0.00 N ATOM 1258 NH2 ARG A 84 4.953 -5.595 15.173 1.00 0.00 N ATOM 0 H ARG A 84 3.487 -12.994 11.812 1.00 0.00 H new ATOM 0 HA ARG A 84 3.489 -10.270 11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.852 -11.235 13.533 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.319 -12.033 13.001 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.835 -10.038 14.336 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.435 -9.866 12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.837 -8.267 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.671 -8.844 13.295 1.00 0.00 H new ATOM 0 HE ARG A 84 6.036 -7.758 14.590 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.998 -6.932 12.992 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.840 -5.388 13.836 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.826 -5.772 15.669 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.434 -4.734 15.345 1.00 0.00 H new ATOM 1272 N ALA A 85 6.395 -11.638 10.502 1.00 0.00 N ATOM 1273 CA ALA A 85 7.570 -11.462 9.659 1.00 0.00 C ATOM 1274 C ALA A 85 7.176 -11.286 8.196 1.00 0.00 C ATOM 1275 O ALA A 85 7.547 -10.301 7.559 1.00 0.00 O ATOM 1276 CB ALA A 85 8.513 -12.646 9.814 1.00 0.00 C ATOM 0 H ALA A 85 6.414 -12.476 11.083 1.00 0.00 H new ATOM 0 HA ALA A 85 8.084 -10.557 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.387 -12.501 9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.830 -12.725 10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.999 -13.561 9.521 1.00 0.00 H new ATOM 1282 N GLN A 86 6.422 -12.247 7.672 1.00 0.00 N ATOM 1283 CA GLN A 86 5.979 -12.197 6.284 1.00 0.00 C ATOM 1284 C GLN A 86 5.380 -10.834 5.952 1.00 0.00 C ATOM 1285 O GLN A 86 5.374 -10.413 4.794 1.00 0.00 O ATOM 1286 CB GLN A 86 4.951 -13.297 6.015 1.00 0.00 C ATOM 1287 CG GLN A 86 5.530 -14.701 6.084 1.00 0.00 C ATOM 1288 CD GLN A 86 4.471 -15.777 5.949 1.00 0.00 C ATOM 1289 OE1 GLN A 86 3.293 -15.542 6.220 1.00 0.00 O ATOM 1290 NE2 GLN A 86 4.885 -16.966 5.527 1.00 0.00 N ATOM 0 H GLN A 86 6.106 -13.069 8.187 1.00 0.00 H new ATOM 0 HA GLN A 86 6.848 -12.357 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.141 -13.211 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.514 -13.141 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.270 -14.824 5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.053 -14.828 7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.871 -17.117 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.217 -17.729 5.416 1.00 0.00 H new ATOM 1299 N CYS A 87 4.879 -10.149 6.973 1.00 0.00 N ATOM 1300 CA CYS A 87 4.277 -8.833 6.790 1.00 0.00 C ATOM 1301 C CYS A 87 5.328 -7.734 6.903 1.00 0.00 C ATOM 1302 O CYS A 87 5.629 -7.045 5.928 1.00 0.00 O ATOM 1303 CB CYS A 87 3.172 -8.607 7.822 1.00 0.00 C ATOM 1304 SG CYS A 87 1.576 -9.322 7.363 1.00 0.00 S ATOM 0 H CYS A 87 4.877 -10.483 7.937 1.00 0.00 H new ATOM 0 HA CYS A 87 3.844 -8.795 5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.487 -9.031 8.775 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.047 -7.535 7.976 1.00 0.00 H new ATOM 0 HG CYS A 87 1.527 -10.561 7.753 1.00 0.00 H new ATOM 1310 N VAL A 88 5.883 -7.573 8.100 1.00 0.00 N ATOM 1311 CA VAL A 88 6.900 -6.557 8.342 1.00 0.00 C ATOM 1312 C VAL A 88 7.854 -6.443 7.159 1.00 0.00 C ATOM 1313 O VAL A 88 8.348 -5.359 6.847 1.00 0.00 O ATOM 1314 CB VAL A 88 7.711 -6.866 9.614 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.832 -7.848 9.307 1.00 0.00 C ATOM 1316 CG2 VAL A 88 8.265 -5.584 10.217 1.00 0.00 C ATOM 0 H VAL A 88 5.645 -8.134 8.918 1.00 0.00 H new ATOM 0 HA VAL A 88 6.377 -5.610 8.476 1.00 0.00 H new ATOM 0 HB VAL A 88 7.046 -7.327 10.345 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.394 -8.055 10.218 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.408 -8.776 8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.498 -7.418 8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.835 -5.821 11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.915 -5.093 9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.442 -4.918 10.475 1.00 0.00 H new ATOM 1326 N THR A 89 8.110 -7.570 6.501 1.00 0.00 N ATOM 1327 CA THR A 89 9.006 -7.597 5.352 1.00 0.00 C ATOM 1328 C THR A 89 8.452 -6.763 4.203 1.00 0.00 C ATOM 1329 O THR A 89 9.039 -5.752 3.817 1.00 0.00 O ATOM 1330 CB THR A 89 9.243 -9.037 4.858 1.00 0.00 C ATOM 1331 OG1 THR A 89 9.901 -9.801 5.875 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.082 -9.043 3.590 1.00 0.00 C ATOM 0 H THR A 89 7.709 -8.476 6.745 1.00 0.00 H new ATOM 0 HA THR A 89 9.955 -7.173 5.681 1.00 0.00 H new ATOM 0 HB THR A 89 8.275 -9.486 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.249 -10.068 6.557 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.236 -10.071 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.565 -8.485 2.809 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.047 -8.578 3.790 1.00 0.00 H new ATOM 1340 N VAL A 90 7.318 -7.192 3.659 1.00 0.00 N ATOM 1341 CA VAL A 90 6.683 -6.483 2.554 1.00 0.00 C ATOM 1342 C VAL A 90 6.792 -4.973 2.735 1.00 0.00 C ATOM 1343 O VAL A 90 7.156 -4.250 1.807 1.00 0.00 O ATOM 1344 CB VAL A 90 5.197 -6.867 2.421 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.570 -6.166 1.226 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.046 -8.376 2.305 1.00 0.00 C ATOM 0 H VAL A 90 6.820 -8.028 3.965 1.00 0.00 H new ATOM 0 HA VAL A 90 7.209 -6.776 1.646 1.00 0.00 H new ATOM 0 HB VAL A 90 4.673 -6.541 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.520 -6.449 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.646 -5.086 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.094 -6.459 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.990 -8.630 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.583 -8.729 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.456 -8.852 3.195 1.00 0.00 H new ATOM 1356 N LYS A 91 6.475 -4.502 3.936 1.00 0.00 N ATOM 1357 CA LYS A 91 6.539 -3.078 4.242 1.00 0.00 C ATOM 1358 C LYS A 91 7.951 -2.540 4.034 1.00 0.00 C ATOM 1359 O LYS A 91 8.172 -1.654 3.209 1.00 0.00 O ATOM 1360 CB LYS A 91 6.092 -2.824 5.683 1.00 0.00 C ATOM 1361 CG LYS A 91 6.183 -1.366 6.100 1.00 0.00 C ATOM 1362 CD LYS A 91 6.065 -1.209 7.607 1.00 0.00 C ATOM 1363 CE LYS A 91 6.628 0.125 8.074 1.00 0.00 C ATOM 1364 NZ LYS A 91 6.408 0.340 9.531 1.00 0.00 N ATOM 0 H LYS A 91 6.171 -5.087 4.714 1.00 0.00 H new ATOM 0 HA LYS A 91 5.866 -2.555 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.063 -3.163 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.704 -3.425 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.132 -0.949 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.393 -0.797 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.018 -1.286 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.596 -2.022 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.696 0.164 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.160 0.933 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.806 1.260 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.388 0.328 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.876 -0.417 10.068 1.00 0.00 H new ATOM 1378 N GLU A 92 8.903 -3.083 4.787 1.00 0.00 N ATOM 1379 CA GLU A 92 10.294 -2.656 4.684 1.00 0.00 C ATOM 1380 C GLU A 92 10.645 -2.290 3.244 1.00 0.00 C ATOM 1381 O GLU A 92 11.268 -1.259 2.988 1.00 0.00 O ATOM 1382 CB GLU A 92 11.227 -3.761 5.183 1.00 0.00 C ATOM 1383 CG GLU A 92 11.290 -3.867 6.697 1.00 0.00 C ATOM 1384 CD GLU A 92 12.569 -4.519 7.184 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.669 -5.761 7.103 1.00 0.00 O ATOM 1386 OE2 GLU A 92 13.470 -3.788 7.646 1.00 0.00 O ATOM 0 H GLU A 92 8.737 -3.818 5.474 1.00 0.00 H new ATOM 0 HA GLU A 92 10.424 -1.771 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.897 -4.716 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.230 -3.579 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.207 -2.871 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.435 -4.442 7.053 1.00 0.00 H new ATOM 1393 N LYS A 93 10.241 -3.142 2.308 1.00 0.00 N ATOM 1394 CA LYS A 93 10.512 -2.910 0.894 1.00 0.00 C ATOM 1395 C LYS A 93 9.737 -1.699 0.384 1.00 0.00 C ATOM 1396 O LYS A 93 10.319 -0.768 -0.176 1.00 0.00 O ATOM 1397 CB LYS A 93 10.142 -4.147 0.073 1.00 0.00 C ATOM 1398 CG LYS A 93 10.826 -5.418 0.547 1.00 0.00 C ATOM 1399 CD LYS A 93 12.321 -5.378 0.284 1.00 0.00 C ATOM 1400 CE LYS A 93 13.044 -6.510 0.998 1.00 0.00 C ATOM 1401 NZ LYS A 93 13.412 -6.141 2.393 1.00 0.00 N ATOM 0 H LYS A 93 9.725 -4.000 2.503 1.00 0.00 H new ATOM 0 HA LYS A 93 11.578 -2.712 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.062 -4.289 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.403 -3.971 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.647 -5.552 1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.389 -6.278 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.505 -5.447 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.724 -4.421 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.408 -7.395 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.944 -6.773 0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.903 -6.939 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.040 -5.312 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.551 -5.914 2.931 1.00 0.00 H new ATOM 1415 N LEU A 94 8.424 -1.716 0.581 1.00 0.00 N ATOM 1416 CA LEU A 94 7.570 -0.617 0.142 1.00 0.00 C ATOM 1417 C LEU A 94 8.190 0.730 0.498 1.00 0.00 C ATOM 1418 O LEU A 94 8.154 1.671 -0.296 1.00 0.00 O ATOM 1419 CB LEU A 94 6.184 -0.738 0.779 1.00 0.00 C ATOM 1420 CG LEU A 94 5.258 -1.795 0.176 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.102 -2.092 1.119 1.00 0.00 C ATOM 1422 CD2 LEU A 94 4.740 -1.341 -1.180 1.00 0.00 C ATOM 0 H LEU A 94 7.927 -2.478 1.042 1.00 0.00 H new ATOM 0 HA LEU A 94 7.472 -0.675 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.311 -0.958 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.689 0.231 0.711 1.00 0.00 H new ATOM 0 HG LEU A 94 5.830 -2.712 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.453 -2.846 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.492 -2.463 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.531 -1.180 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.083 -2.106 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.185 -0.410 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.580 -1.181 -1.856 1.00 0.00 H new ATOM 1434 N LEU A 95 8.760 0.816 1.695 1.00 0.00 N ATOM 1435 CA LEU A 95 9.391 2.048 2.155 1.00 0.00 C ATOM 1436 C LEU A 95 10.436 2.532 1.154 1.00 0.00 C ATOM 1437 O LEU A 95 10.320 3.626 0.603 1.00 0.00 O ATOM 1438 CB LEU A 95 10.041 1.831 3.523 1.00 0.00 C ATOM 1439 CG LEU A 95 9.154 2.106 4.738 1.00 0.00 C ATOM 1440 CD1 LEU A 95 8.658 3.544 4.722 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.983 1.136 4.774 1.00 0.00 C ATOM 0 H LEU A 95 8.798 0.047 2.364 1.00 0.00 H new ATOM 0 HA LEU A 95 8.618 2.812 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.389 0.800 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.922 2.469 3.590 1.00 0.00 H new ATOM 0 HG LEU A 95 9.749 1.959 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.028 3.721 5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.510 4.223 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.079 3.719 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.363 1.347 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.388 1.251 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.358 0.114 4.834 1.00 0.00 H new ATOM 1453 N GLU A 96 11.453 1.708 0.924 1.00 0.00 N ATOM 1454 CA GLU A 96 12.517 2.052 -0.012 1.00 0.00 C ATOM 1455 C GLU A 96 11.948 2.716 -1.263 1.00 0.00 C ATOM 1456 O GLU A 96 12.390 3.794 -1.661 1.00 0.00 O ATOM 1457 CB GLU A 96 13.309 0.802 -0.401 1.00 0.00 C ATOM 1458 CG GLU A 96 14.430 0.466 0.569 1.00 0.00 C ATOM 1459 CD GLU A 96 14.949 -0.948 0.392 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.398 -1.866 1.035 1.00 0.00 O ATOM 1461 OE2 GLU A 96 15.905 -1.136 -0.388 1.00 0.00 O ATOM 0 H GLU A 96 11.563 0.798 1.372 1.00 0.00 H new ATOM 0 HA GLU A 96 13.185 2.758 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.627 -0.046 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.731 0.944 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 96 15.250 1.170 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.072 0.593 1.591 1.00 0.00 H new ATOM 1468 N GLN A 97 10.966 2.065 -1.877 1.00 0.00 N ATOM 1469 CA GLN A 97 10.337 2.591 -3.082 1.00 0.00 C ATOM 1470 C GLN A 97 9.726 3.964 -2.823 1.00 0.00 C ATOM 1471 O GLN A 97 10.034 4.932 -3.517 1.00 0.00 O ATOM 1472 CB GLN A 97 9.260 1.627 -3.584 1.00 0.00 C ATOM 1473 CG GLN A 97 9.820 0.344 -4.175 1.00 0.00 C ATOM 1474 CD GLN A 97 10.385 0.541 -5.568 1.00 0.00 C ATOM 1475 OE1 GLN A 97 11.457 1.122 -5.738 1.00 0.00 O ATOM 1476 NE2 GLN A 97 9.665 0.057 -6.573 1.00 0.00 N ATOM 0 H GLN A 97 10.589 1.172 -1.560 1.00 0.00 H new ATOM 0 HA GLN A 97 11.107 2.695 -3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.595 1.376 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.656 2.131 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.602 -0.042 -3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.033 -0.409 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 97 8.782 -0.418 -6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.995 0.160 -7.533 1.00 0.00 H new ATOM 1485 N ALA A 98 8.858 4.040 -1.819 1.00 0.00 N ATOM 1486 CA ALA A 98 8.206 5.295 -1.467 1.00 0.00 C ATOM 1487 C ALA A 98 9.157 6.475 -1.635 1.00 0.00 C ATOM 1488 O ALA A 98 8.879 7.405 -2.391 1.00 0.00 O ATOM 1489 CB ALA A 98 7.682 5.235 -0.040 1.00 0.00 C ATOM 0 H ALA A 98 8.590 3.247 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 98 7.365 5.442 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.197 6.179 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.961 4.422 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.512 5.061 0.645 1.00 0.00 H new ATOM 1495 N GLU A 99 10.280 6.429 -0.925 1.00 0.00 N ATOM 1496 CA GLU A 99 11.272 7.496 -0.995 1.00 0.00 C ATOM 1497 C GLU A 99 11.473 7.957 -2.436 1.00 0.00 C ATOM 1498 O GLU A 99 11.155 9.094 -2.785 1.00 0.00 O ATOM 1499 CB GLU A 99 12.603 7.025 -0.408 1.00 0.00 C ATOM 1500 CG GLU A 99 12.693 7.182 1.101 1.00 0.00 C ATOM 1501 CD GLU A 99 14.112 7.040 1.619 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.539 5.894 1.868 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.793 8.075 1.775 1.00 0.00 O ATOM 0 H GLU A 99 10.526 5.665 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 99 10.904 8.339 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.753 5.976 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.414 7.586 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.303 8.159 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.059 6.435 1.579 1.00 0.00 H new ATOM 1510 N SER A 100 12.004 7.067 -3.267 1.00 0.00 N ATOM 1511 CA SER A 100 12.253 7.383 -4.669 1.00 0.00 C ATOM 1512 C SER A 100 11.036 8.055 -5.298 1.00 0.00 C ATOM 1513 O SER A 100 11.163 8.842 -6.238 1.00 0.00 O ATOM 1514 CB SER A 100 12.606 6.113 -5.445 1.00 0.00 C ATOM 1515 OG SER A 100 13.350 6.418 -6.612 1.00 0.00 O ATOM 0 H SER A 100 12.270 6.121 -2.994 1.00 0.00 H new ATOM 0 HA SER A 100 13.094 8.075 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.182 5.442 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.693 5.585 -5.720 1.00 0.00 H new ATOM 0 HG SER A 100 13.564 5.589 -7.089 1.00 0.00 H new ATOM 1521 N LEU A 101 9.857 7.740 -4.774 1.00 0.00 N ATOM 1522 CA LEU A 101 8.616 8.313 -5.283 1.00 0.00 C ATOM 1523 C LEU A 101 8.189 9.517 -4.449 1.00 0.00 C ATOM 1524 O LEU A 101 6.998 9.804 -4.317 1.00 0.00 O ATOM 1525 CB LEU A 101 7.507 7.259 -5.283 1.00 0.00 C ATOM 1526 CG LEU A 101 7.536 6.254 -6.435 1.00 0.00 C ATOM 1527 CD1 LEU A 101 6.893 4.941 -6.014 1.00 0.00 C ATOM 1528 CD2 LEU A 101 6.834 6.825 -7.658 1.00 0.00 C ATOM 0 H LEU A 101 9.734 7.091 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 101 8.792 8.647 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.558 6.707 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.546 7.772 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 101 8.576 6.059 -6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.923 4.238 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.438 4.524 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.857 5.119 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.864 6.096 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.797 7.049 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.338 7.739 -7.973 1.00 0.00 H new ATOM 1540 N LEU A 102 9.168 10.219 -3.889 1.00 0.00 N ATOM 1541 CA LEU A 102 8.895 11.394 -3.069 1.00 0.00 C ATOM 1542 C LEU A 102 8.271 12.508 -3.904 1.00 0.00 C ATOM 1543 O LEU A 102 8.400 12.525 -5.129 1.00 0.00 O ATOM 1544 CB LEU A 102 10.183 11.893 -2.413 1.00 0.00 C ATOM 1545 CG LEU A 102 10.511 11.301 -1.042 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.978 11.520 -0.704 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.618 11.909 0.030 1.00 0.00 C ATOM 0 H LEU A 102 10.158 9.995 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 102 8.186 11.107 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.015 11.683 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.120 12.977 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 102 10.323 10.228 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.194 11.092 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.601 11.036 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.192 12.589 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.866 11.476 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.773 12.987 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.574 11.700 -0.204 1.00 0.00 H new ATOM 1559 N SER A 103 7.597 13.436 -3.234 1.00 0.00 N ATOM 1560 CA SER A 103 6.952 14.553 -3.915 1.00 0.00 C ATOM 1561 C SER A 103 6.064 14.057 -5.052 1.00 0.00 C ATOM 1562 O SER A 103 5.831 14.770 -6.027 1.00 0.00 O ATOM 1563 CB SER A 103 8.003 15.522 -4.458 1.00 0.00 C ATOM 1564 OG SER A 103 8.617 16.250 -3.409 1.00 0.00 O ATOM 0 H SER A 103 7.483 13.437 -2.220 1.00 0.00 H new ATOM 0 HA SER A 103 6.327 15.075 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.761 14.968 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.536 16.213 -5.160 1.00 0.00 H new ATOM 0 HG SER A 103 9.286 16.861 -3.783 1.00 0.00 H new ATOM 1570 N GLU A 104 5.574 12.829 -4.919 1.00 0.00 N ATOM 1571 CA GLU A 104 4.713 12.236 -5.936 1.00 0.00 C ATOM 1572 C GLU A 104 3.783 11.194 -5.321 1.00 0.00 C ATOM 1573 O GLU A 104 4.021 10.680 -4.229 1.00 0.00 O ATOM 1574 CB GLU A 104 5.556 11.595 -7.040 1.00 0.00 C ATOM 1575 CG GLU A 104 5.901 12.547 -8.173 1.00 0.00 C ATOM 1576 CD GLU A 104 6.484 11.834 -9.377 1.00 0.00 C ATOM 1577 OE1 GLU A 104 7.511 11.142 -9.218 1.00 0.00 O ATOM 1578 OE2 GLU A 104 5.912 11.967 -10.480 1.00 0.00 O ATOM 0 H GLU A 104 5.758 12.225 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 104 4.105 13.031 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.479 11.212 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.017 10.740 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.004 13.087 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.614 13.289 -7.814 1.00 0.00 H new ATOM 1585 N PRO A 105 2.696 10.875 -6.040 1.00 0.00 N ATOM 1586 CA PRO A 105 1.708 9.892 -5.586 1.00 0.00 C ATOM 1587 C PRO A 105 2.256 8.469 -5.601 1.00 0.00 C ATOM 1588 O PRO A 105 2.332 7.834 -6.652 1.00 0.00 O ATOM 1589 CB PRO A 105 0.571 10.037 -6.600 1.00 0.00 C ATOM 1590 CG PRO A 105 1.224 10.571 -7.828 1.00 0.00 C ATOM 1591 CD PRO A 105 2.348 11.448 -7.351 1.00 0.00 C ATOM 0 HA PRO A 105 1.403 10.068 -4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.088 9.079 -6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.201 10.715 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.599 9.761 -8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.515 11.138 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.195 11.425 -8.037 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.036 12.489 -7.265 1.00 0.00 H new ATOM 1599 N MET A 106 2.637 7.974 -4.428 1.00 0.00 N ATOM 1600 CA MET A 106 3.177 6.625 -4.307 1.00 0.00 C ATOM 1601 C MET A 106 2.117 5.660 -3.782 1.00 0.00 C ATOM 1602 O MET A 106 2.083 4.491 -4.167 1.00 0.00 O ATOM 1603 CB MET A 106 4.392 6.620 -3.378 1.00 0.00 C ATOM 1604 CG MET A 106 4.137 7.296 -2.040 1.00 0.00 C ATOM 1605 SD MET A 106 5.585 7.277 -0.966 1.00 0.00 S ATOM 1606 CE MET A 106 6.195 8.946 -1.190 1.00 0.00 C ATOM 0 H MET A 106 2.582 8.487 -3.548 1.00 0.00 H new ATOM 0 HA MET A 106 3.486 6.294 -5.299 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.700 5.589 -3.202 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.222 7.121 -3.876 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.830 8.328 -2.211 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.309 6.796 -1.537 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.285 8.938 -1.192 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.834 9.341 -2.139 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.838 9.576 -0.375 1.00 0.00 H new ATOM 1616 N VAL A 107 1.255 6.158 -2.902 1.00 0.00 N ATOM 1617 CA VAL A 107 0.194 5.340 -2.325 1.00 0.00 C ATOM 1618 C VAL A 107 -0.446 4.445 -3.381 1.00 0.00 C ATOM 1619 O VAL A 107 -0.585 3.238 -3.186 1.00 0.00 O ATOM 1620 CB VAL A 107 -0.898 6.212 -1.677 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -1.967 5.341 -1.037 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.286 7.157 -0.654 1.00 0.00 C ATOM 0 H VAL A 107 1.270 7.123 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 107 0.656 4.719 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.370 6.811 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.730 5.975 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.425 4.709 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.514 4.714 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.071 7.766 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.213 6.578 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.439 7.805 -1.146 1.00 0.00 H new ATOM 1632 N HIS A 108 -0.834 5.046 -4.501 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.459 4.304 -5.590 1.00 0.00 C ATOM 1634 C HIS A 108 -0.464 3.344 -6.235 1.00 0.00 C ATOM 1635 O HIS A 108 -0.628 2.126 -6.165 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.011 5.267 -6.642 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.540 4.581 -7.864 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.396 5.093 -9.136 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.213 3.415 -8.003 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -2.960 4.273 -10.004 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -3.463 3.246 -9.342 1.00 0.00 N ATOM 0 H HIS A 108 -0.727 6.045 -4.678 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.281 3.722 -5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.808 5.862 -6.196 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.223 5.960 -6.937 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -1.927 5.968 -9.370 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.500 2.743 -7.208 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.003 4.417 -11.073 1.00 0.00 H new ATOM 1650 N GLU A 109 0.567 3.901 -6.862 1.00 0.00 N ATOM 1651 CA GLU A 109 1.588 3.093 -7.520 1.00 0.00 C ATOM 1652 C GLU A 109 1.963 1.888 -6.663 1.00 0.00 C ATOM 1653 O GLU A 109 1.752 0.740 -7.059 1.00 0.00 O ATOM 1654 CB GLU A 109 2.832 3.937 -7.805 1.00 0.00 C ATOM 1655 CG GLU A 109 2.570 5.116 -8.728 1.00 0.00 C ATOM 1656 CD GLU A 109 3.839 5.664 -9.349 1.00 0.00 C ATOM 1657 OE1 GLU A 109 4.535 4.899 -10.048 1.00 0.00 O ATOM 1658 OE2 GLU A 109 4.137 6.858 -9.135 1.00 0.00 O ATOM 0 H GLU A 109 0.718 4.908 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 109 1.178 2.733 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.233 4.307 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.598 3.301 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.886 4.808 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.073 5.908 -8.168 1.00 0.00 H new ATOM 1665 N LEU A 110 2.520 2.155 -5.487 1.00 0.00 N ATOM 1666 CA LEU A 110 2.926 1.093 -4.573 1.00 0.00 C ATOM 1667 C LEU A 110 1.944 -0.073 -4.624 1.00 0.00 C ATOM 1668 O LEU A 110 2.324 -1.205 -4.923 1.00 0.00 O ATOM 1669 CB LEU A 110 3.023 1.632 -3.145 1.00 0.00 C ATOM 1670 CG LEU A 110 4.126 2.659 -2.889 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.758 3.557 -1.718 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.455 1.963 -2.632 1.00 0.00 C ATOM 0 H LEU A 110 2.701 3.098 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 110 3.906 0.732 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.066 2.083 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.174 0.790 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 110 4.230 3.280 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.555 4.282 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.830 4.083 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.625 2.951 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.228 2.710 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.364 1.317 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.726 1.363 -3.501 1.00 0.00 H new ATOM 1684 N VAL A 111 0.679 0.212 -4.330 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.358 -0.812 -4.345 1.00 0.00 C ATOM 1686 C VAL A 111 -0.222 -1.715 -5.566 1.00 0.00 C ATOM 1687 O VAL A 111 -0.233 -2.941 -5.449 1.00 0.00 O ATOM 1688 CB VAL A 111 -1.765 -0.186 -4.338 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -2.814 -1.225 -4.704 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.066 0.432 -2.981 1.00 0.00 C ATOM 0 H VAL A 111 0.348 1.144 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.228 -1.407 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.795 0.605 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.802 -0.764 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.606 -1.616 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.787 -2.040 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.064 0.870 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.018 -0.338 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.332 1.208 -2.764 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.093 -1.102 -6.737 1.00 0.00 N ATOM 1701 CA LEU A 112 0.046 -1.850 -7.982 1.00 0.00 C ATOM 1702 C LEU A 112 1.410 -2.529 -8.059 1.00 0.00 C ATOM 1703 O LEU A 112 1.541 -3.618 -8.617 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.143 -0.921 -9.182 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.440 -0.113 -9.208 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.267 1.150 -10.038 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.584 -0.957 -9.751 1.00 0.00 C ATOM 0 H LEU A 112 -0.082 -0.088 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.725 -2.621 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.696 -0.225 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.094 -1.520 -10.091 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.683 0.179 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.201 1.712 -10.045 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.477 1.764 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.999 0.880 -11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.499 -0.365 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.348 -1.280 -10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.725 -1.831 -9.115 1.00 0.00 H new ATOM 1719 N TRP A 113 2.421 -1.879 -7.494 1.00 0.00 N ATOM 1720 CA TRP A 113 3.775 -2.421 -7.497 1.00 0.00 C ATOM 1721 C TRP A 113 3.834 -3.743 -6.740 1.00 0.00 C ATOM 1722 O TRP A 113 4.135 -4.787 -7.319 1.00 0.00 O ATOM 1723 CB TRP A 113 4.749 -1.419 -6.875 1.00 0.00 C ATOM 1724 CG TRP A 113 6.167 -1.904 -6.855 1.00 0.00 C ATOM 1725 CD1 TRP A 113 7.024 -1.974 -7.916 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.892 -2.386 -5.718 1.00 0.00 C ATOM 1727 NE1 TRP A 113 8.238 -2.472 -7.507 1.00 0.00 N ATOM 1728 CE2 TRP A 113 8.183 -2.732 -6.164 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.577 -2.558 -4.368 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 9.155 -3.240 -5.305 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 7.542 -3.063 -3.518 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.819 -3.398 -3.988 1.00 0.00 C ATOM 0 H TRP A 113 2.329 -0.976 -7.028 1.00 0.00 H new ATOM 0 HA TRP A 113 4.064 -2.603 -8.532 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.700 -0.483 -7.431 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.433 -1.201 -5.855 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.783 -1.681 -8.927 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.049 -2.623 -8.107 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.597 -2.301 -3.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 10.139 -3.500 -5.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 7.308 -3.202 -2.473 1.00 0.00 H new ATOM 0 HH2 TRP A 113 9.552 -3.788 -3.298 1.00 0.00 H new ATOM 1743 N ILE A 114 3.545 -3.691 -5.444 1.00 0.00 N ATOM 1744 CA ILE A 114 3.564 -4.886 -4.609 1.00 0.00 C ATOM 1745 C ILE A 114 2.541 -5.910 -5.091 1.00 0.00 C ATOM 1746 O ILE A 114 2.863 -7.083 -5.273 1.00 0.00 O ATOM 1747 CB ILE A 114 3.278 -4.546 -3.134 1.00 0.00 C ATOM 1748 CG1 ILE A 114 3.311 -5.816 -2.280 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.933 -3.848 -3.002 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.701 -6.385 -2.098 1.00 0.00 C ATOM 0 H ILE A 114 3.295 -2.835 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 114 4.565 -5.311 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 114 4.053 -3.869 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.886 -5.597 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.675 -6.571 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.746 -3.614 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.943 -2.926 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.145 -4.503 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.649 -7.283 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.122 -6.636 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.335 -5.646 -1.608 1.00 0.00 H new ATOM 1762 N GLN A 115 1.309 -5.455 -5.296 1.00 0.00 N ATOM 1763 CA GLN A 115 0.240 -6.332 -5.759 1.00 0.00 C ATOM 1764 C GLN A 115 0.751 -7.304 -6.817 1.00 0.00 C ATOM 1765 O GLN A 115 0.392 -8.481 -6.817 1.00 0.00 O ATOM 1766 CB GLN A 115 -0.917 -5.507 -6.324 1.00 0.00 C ATOM 1767 CG GLN A 115 -1.889 -5.014 -5.263 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.012 -5.998 -4.999 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -2.985 -6.738 -4.016 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.007 -6.010 -5.878 1.00 0.00 N ATOM 0 H GLN A 115 1.027 -4.486 -5.149 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.117 -6.908 -4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.512 -4.649 -6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.461 -6.110 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.346 -4.830 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -2.313 -4.061 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -3.988 -5.379 -6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.791 -6.651 -5.752 1.00 0.00 H new ATOM 1779 N GLN A 116 1.591 -6.803 -7.717 1.00 0.00 N ATOM 1780 CA GLN A 116 2.151 -7.627 -8.781 1.00 0.00 C ATOM 1781 C GLN A 116 3.437 -8.307 -8.324 1.00 0.00 C ATOM 1782 O GLN A 116 3.719 -9.443 -8.704 1.00 0.00 O ATOM 1783 CB GLN A 116 2.424 -6.777 -10.023 1.00 0.00 C ATOM 1784 CG GLN A 116 1.231 -6.666 -10.959 1.00 0.00 C ATOM 1785 CD GLN A 116 1.569 -5.955 -12.254 1.00 0.00 C ATOM 1786 OE1 GLN A 116 2.691 -6.048 -12.752 1.00 0.00 O ATOM 1787 NE2 GLN A 116 0.597 -5.240 -12.808 1.00 0.00 N ATOM 0 H GLN A 116 1.899 -5.831 -7.730 1.00 0.00 H new ATOM 0 HA GLN A 116 1.422 -8.398 -9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.724 -5.777 -9.710 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.265 -7.206 -10.569 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.857 -7.665 -11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.427 -6.131 -10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.318 -5.191 -12.361 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.766 -4.740 -13.681 1.00 0.00 H new ATOM 1796 N ASN A 117 4.214 -7.604 -7.506 1.00 0.00 N ATOM 1797 CA ASN A 117 5.471 -8.141 -6.997 1.00 0.00 C ATOM 1798 C ASN A 117 5.325 -8.585 -5.545 1.00 0.00 C ATOM 1799 O ASN A 117 6.221 -8.374 -4.726 1.00 0.00 O ATOM 1800 CB ASN A 117 6.580 -7.093 -7.112 1.00 0.00 C ATOM 1801 CG ASN A 117 6.843 -6.685 -8.549 1.00 0.00 C ATOM 1802 OD1 ASN A 117 7.377 -7.463 -9.339 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.469 -5.458 -8.893 1.00 0.00 N ATOM 0 H ASN A 117 3.995 -6.662 -7.182 1.00 0.00 H new ATOM 0 HA ASN A 117 5.736 -9.010 -7.599 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.305 -6.212 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.497 -7.489 -6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.621 -5.127 -9.846 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.030 -4.847 -8.205 1.00 0.00 H new ATOM 1810 N LEU A 118 4.191 -9.202 -5.232 1.00 0.00 N ATOM 1811 CA LEU A 118 3.927 -9.678 -3.879 1.00 0.00 C ATOM 1812 C LEU A 118 4.639 -11.002 -3.618 1.00 0.00 C ATOM 1813 O LEU A 118 5.324 -11.161 -2.608 1.00 0.00 O ATOM 1814 CB LEU A 118 2.422 -9.844 -3.660 1.00 0.00 C ATOM 1815 CG LEU A 118 2.002 -10.476 -2.333 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.309 -9.539 -1.175 1.00 0.00 C ATOM 1817 CD2 LEU A 118 0.523 -10.832 -2.356 1.00 0.00 C ATOM 0 H LEU A 118 3.439 -9.384 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 118 4.311 -8.936 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.954 -8.863 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.022 -10.452 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 118 2.573 -11.393 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.003 -10.006 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.379 -9.335 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.765 -8.604 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.242 -11.281 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.066 -9.930 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.332 -11.541 -3.161 1.00 0.00 H new ATOM 1829 N ARG A 119 4.473 -11.948 -4.537 1.00 0.00 N ATOM 1830 CA ARG A 119 5.100 -13.257 -4.407 1.00 0.00 C ATOM 1831 C ARG A 119 6.619 -13.145 -4.509 1.00 0.00 C ATOM 1832 O ARG A 119 7.350 -13.714 -3.698 1.00 0.00 O ATOM 1833 CB ARG A 119 4.575 -14.208 -5.485 1.00 0.00 C ATOM 1834 CG ARG A 119 4.813 -13.713 -6.902 1.00 0.00 C ATOM 1835 CD ARG A 119 3.760 -14.245 -7.862 1.00 0.00 C ATOM 1836 NE ARG A 119 4.047 -15.614 -8.284 1.00 0.00 N ATOM 1837 CZ ARG A 119 5.020 -15.934 -9.129 1.00 0.00 C ATOM 1838 NH1 ARG A 119 5.797 -14.988 -9.640 1.00 0.00 N ATOM 1839 NH2 ARG A 119 5.218 -17.202 -9.465 1.00 0.00 N ATOM 0 H ARG A 119 3.910 -11.832 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 119 4.847 -13.657 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.053 -15.180 -5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 119 3.506 -14.357 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.801 -12.623 -6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 119 5.802 -14.025 -7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.782 -14.211 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.708 -13.599 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 119 3.468 -16.365 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 119 5.648 -14.012 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 119 6.544 -15.237 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.623 -17.932 -9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 119 5.966 -17.447 -10.114 1.00 0.00 H new ATOM 1853 N HIS A 120 7.086 -12.408 -5.512 1.00 0.00 N ATOM 1854 CA HIS A 120 8.518 -12.221 -5.721 1.00 0.00 C ATOM 1855 C HIS A 120 9.224 -11.921 -4.402 1.00 0.00 C ATOM 1856 O HIS A 120 10.201 -12.580 -4.046 1.00 0.00 O ATOM 1857 CB HIS A 120 8.766 -11.087 -6.716 1.00 0.00 C ATOM 1858 CG HIS A 120 10.217 -10.801 -6.948 1.00 0.00 C ATOM 1859 ND1 HIS A 120 10.858 -9.696 -6.429 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.154 -11.483 -7.646 1.00 0.00 C ATOM 1861 CE1 HIS A 120 12.126 -9.710 -6.799 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.332 -10.785 -7.539 1.00 0.00 N ATOM 0 H HIS A 120 6.494 -11.931 -6.192 1.00 0.00 H new ATOM 0 HA HIS A 120 8.925 -13.146 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.297 -11.340 -7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 120 8.279 -10.182 -6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 120 11.004 -12.405 -8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.868 -8.969 -6.541 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.221 -11.053 -7.962 1.00 0.00 H new ATOM 1871 N ILE A 121 8.724 -10.921 -3.683 1.00 0.00 N ATOM 1872 CA ILE A 121 9.308 -10.534 -2.405 1.00 0.00 C ATOM 1873 C ILE A 121 9.143 -11.640 -1.368 1.00 0.00 C ATOM 1874 O ILE A 121 10.090 -11.993 -0.664 1.00 0.00 O ATOM 1875 CB ILE A 121 8.671 -9.240 -1.865 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.796 -8.115 -2.895 1.00 0.00 C ATOM 1877 CG2 ILE A 121 9.324 -8.837 -0.551 1.00 0.00 C ATOM 1878 CD1 ILE A 121 8.124 -6.829 -2.470 1.00 0.00 C ATOM 0 H ILE A 121 7.916 -10.365 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 121 10.370 -10.361 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 121 7.612 -9.423 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.852 -7.919 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.363 -8.447 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.863 -7.921 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.188 -9.632 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 121 10.389 -8.669 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 121 8.253 -6.077 -3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.061 -7.009 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 121 8.573 -6.473 -1.543 1.00 0.00 H new ATOM 1890 N LEU A 122 7.934 -12.185 -1.280 1.00 0.00 N ATOM 1891 CA LEU A 122 7.645 -13.253 -0.330 1.00 0.00 C ATOM 1892 C LEU A 122 8.054 -14.610 -0.894 1.00 0.00 C ATOM 1893 O LEU A 122 7.385 -15.617 -0.664 1.00 0.00 O ATOM 1894 CB LEU A 122 6.155 -13.262 0.019 1.00 0.00 C ATOM 1895 CG LEU A 122 5.729 -12.345 1.167 1.00 0.00 C ATOM 1896 CD1 LEU A 122 4.216 -12.198 1.199 1.00 0.00 C ATOM 1897 CD2 LEU A 122 6.244 -12.880 2.495 1.00 0.00 C ATOM 0 H LEU A 122 7.139 -11.905 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 122 8.224 -13.067 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.592 -12.982 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.867 -14.283 0.270 1.00 0.00 H new ATOM 0 HG LEU A 122 6.165 -11.360 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.931 -11.542 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.872 -11.769 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.758 -13.177 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.932 -12.215 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.837 -13.876 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.332 -12.932 2.469 1.00 0.00 H new ATOM 1909 N SER A 123 9.159 -14.628 -1.632 1.00 0.00 N ATOM 1910 CA SER A 123 9.658 -15.861 -2.231 1.00 0.00 C ATOM 1911 C SER A 123 10.738 -16.492 -1.357 1.00 0.00 C ATOM 1912 O SER A 123 10.745 -17.703 -1.139 1.00 0.00 O ATOM 1913 CB SER A 123 10.214 -15.585 -3.629 1.00 0.00 C ATOM 1914 OG SER A 123 10.934 -16.702 -4.121 1.00 0.00 O ATOM 0 H SER A 123 9.726 -13.803 -1.830 1.00 0.00 H new ATOM 0 HA SER A 123 8.825 -16.560 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.396 -15.348 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 123 10.867 -14.712 -3.599 1.00 0.00 H new ATOM 0 HG SER A 123 11.278 -16.501 -5.016 1.00 0.00 H new ATOM 1920 N GLN A 124 11.648 -15.660 -0.860 1.00 0.00 N ATOM 1921 CA GLN A 124 12.733 -16.136 -0.011 1.00 0.00 C ATOM 1922 C GLN A 124 12.190 -16.928 1.174 1.00 0.00 C ATOM 1923 O GLN A 124 11.279 -16.493 1.878 1.00 0.00 O ATOM 1924 CB GLN A 124 13.572 -14.958 0.490 1.00 0.00 C ATOM 1925 CG GLN A 124 14.370 -14.271 -0.606 1.00 0.00 C ATOM 1926 CD GLN A 124 15.686 -14.966 -0.894 1.00 0.00 C ATOM 1927 OE1 GLN A 124 15.823 -16.172 -0.684 1.00 0.00 O ATOM 1928 NE2 GLN A 124 16.663 -14.208 -1.378 1.00 0.00 N ATOM 0 H GLN A 124 11.655 -14.654 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 124 13.364 -16.795 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.914 -14.228 0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.258 -15.312 1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 124 13.774 -14.238 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 124 14.565 -13.239 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 124 16.505 -13.213 -1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 124 17.571 -14.621 -1.591 1.00 0.00 H new ATOM 1937 N PRO A 125 12.761 -18.121 1.401 1.00 0.00 N ATOM 1938 CA PRO A 125 12.350 -18.999 2.500 1.00 0.00 C ATOM 1939 C PRO A 125 12.741 -18.442 3.864 1.00 0.00 C ATOM 1940 O PRO A 125 13.768 -17.779 4.002 1.00 0.00 O ATOM 1941 CB PRO A 125 13.105 -20.300 2.216 1.00 0.00 C ATOM 1942 CG PRO A 125 14.295 -19.882 1.424 1.00 0.00 C ATOM 1943 CD PRO A 125 13.852 -18.703 0.602 1.00 0.00 C ATOM 0 HA PRO A 125 11.268 -19.119 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 125 13.399 -20.797 3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 125 12.486 -21.003 1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 125 15.124 -19.612 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 125 14.644 -20.694 0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 125 14.663 -17.991 0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 125 13.508 -19.009 -0.386 1.00 0.00 H new ATOM 1951 N GLU A 126 11.916 -18.717 4.870 1.00 0.00 N ATOM 1952 CA GLU A 126 12.178 -18.242 6.223 1.00 0.00 C ATOM 1953 C GLU A 126 12.553 -19.401 7.143 1.00 0.00 C ATOM 1954 O GLU A 126 12.284 -20.563 6.839 1.00 0.00 O ATOM 1955 CB GLU A 126 10.952 -17.513 6.778 1.00 0.00 C ATOM 1956 CG GLU A 126 9.755 -18.421 7.005 1.00 0.00 C ATOM 1957 CD GLU A 126 8.436 -17.678 6.922 1.00 0.00 C ATOM 1958 OE1 GLU A 126 8.097 -17.191 5.823 1.00 0.00 O ATOM 1959 OE2 GLU A 126 7.742 -17.584 7.956 1.00 0.00 O ATOM 0 H GLU A 126 11.062 -19.266 4.773 1.00 0.00 H new ATOM 0 HA GLU A 126 13.017 -17.547 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 126 11.219 -17.036 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 126 10.669 -16.718 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.765 -19.221 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 126 9.841 -18.892 7.984 1.00 0.00 H new ATOM 1966 N THR A 127 13.177 -19.075 8.271 1.00 0.00 N ATOM 1967 CA THR A 127 13.592 -20.086 9.235 1.00 0.00 C ATOM 1968 C THR A 127 12.492 -20.358 10.255 1.00 0.00 C ATOM 1969 O THR A 127 12.378 -19.658 11.260 1.00 0.00 O ATOM 1970 CB THR A 127 14.872 -19.663 9.979 1.00 0.00 C ATOM 1971 OG1 THR A 127 15.892 -19.311 9.037 1.00 0.00 O ATOM 1972 CG2 THR A 127 15.371 -20.783 10.879 1.00 0.00 C ATOM 0 H THR A 127 13.406 -18.118 8.539 1.00 0.00 H new ATOM 0 HA THR A 127 13.794 -20.996 8.670 1.00 0.00 H new ATOM 0 HB THR A 127 14.636 -18.798 10.599 1.00 0.00 H new ATOM 0 HG1 THR A 127 16.702 -19.041 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 127 16.276 -20.460 11.394 1.00 0.00 H new ATOM 0 HG22 THR A 127 14.604 -21.029 11.613 1.00 0.00 H new ATOM 0 HG23 THR A 127 15.591 -21.664 10.276 1.00 0.00 H new ATOM 1980 N GLY A 128 11.683 -21.379 9.989 1.00 0.00 N ATOM 1981 CA GLY A 128 10.602 -21.725 10.893 1.00 0.00 C ATOM 1982 C GLY A 128 10.090 -23.134 10.673 1.00 0.00 C ATOM 1983 O GLY A 128 9.172 -23.583 11.360 1.00 0.00 O ATOM 0 H GLY A 128 11.757 -21.973 9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.947 -21.624 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 128 9.782 -21.019 10.761 1.00 0.00 H new TER 1987 GLY A 128