USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 79 LYS NZ :NH3+ -143:sc= -2.4! (180deg=-5.26!) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.0329 K(o=-2.4,f=-4.3) USER MOD Set 2.1: A 30 CYS SG : rot 158:sc= 0.579 USER MOD Set 2.2: A 33 CYS SG : rot 77:sc= -1.36 USER MOD Set 3.1: A 4 GLN : amide:sc= -4.66! C(o=-5.6!,f=-14!) USER MOD Set 3.2: A 6 LYS NZ :NH3+ -119:sc= -0.937 (180deg=-2.28!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.032 USER MOD Single : A 7 THR OG1 : rot 25:sc= 0.366 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00339 X(o=-0.0034,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -1:sc= -0.468 USER MOD Single : A 28 THR OG1 : rot -63:sc= -1.19! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 163:sc= -0.112 (180deg=-0.475) USER MOD Single : A 39 MET CE :methyl 165:sc= -5.44! (180deg=-6.22!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -62:sc= 0.976 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -115:sc= 0.627 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.427 F(o=-2.3,f=-0.43) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -1.05 (180deg=-3.22!) USER MOD Single : A 65 GLN :FLIP amide:sc= -2.79! C(o=-5.9!,f=-2.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -117:sc= -0.729 (180deg=-5.19!) USER MOD Single : A 74 THR OG1 : rot 100:sc= -2.49! USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0339 (180deg=-0.274) USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 1.11 (180deg=0.493) USER MOD Single : A 91 ASN : amide:sc= -0.0831 K(o=-0.083,f=-2.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.00281 X(o=0.0028,f=0) USER MOD Single : A 102 ASN : amide:sc= 0.996 K(o=1,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -2.576 9.933 3.474 1.00 0.00 N ATOM 21 CA VAL A 2 -2.885 8.512 3.382 1.00 0.00 C ATOM 22 C VAL A 2 -4.333 8.297 2.950 1.00 0.00 C ATOM 23 O VAL A 2 -5.249 8.919 3.491 1.00 0.00 O ATOM 24 CB VAL A 2 -2.639 7.798 4.728 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.607 8.297 5.792 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.742 6.290 4.567 1.00 0.00 C ATOM 0 HA VAL A 2 -2.221 8.084 2.631 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.627 8.035 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.414 7.779 6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.471 9.369 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.631 8.101 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.565 5.808 5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.738 6.030 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.997 5.949 3.848 1.00 0.00 H new ATOM 36 N THR A 3 -4.539 7.424 1.970 1.00 0.00 N ATOM 37 CA THR A 3 -5.881 7.144 1.474 1.00 0.00 C ATOM 38 C THR A 3 -5.994 5.715 0.949 1.00 0.00 C ATOM 39 O THR A 3 -5.000 5.103 0.562 1.00 0.00 O ATOM 40 CB THR A 3 -6.255 8.136 0.370 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.198 9.466 0.851 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.643 7.912 -0.194 1.00 0.00 C ATOM 0 H THR A 3 -3.797 6.900 1.505 1.00 0.00 H new ATOM 0 HA THR A 3 -6.574 7.254 2.308 1.00 0.00 H new ATOM 0 HB THR A 3 -5.527 7.970 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.439 10.085 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.843 8.649 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.706 6.910 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.380 8.015 0.602 1.00 0.00 H new ATOM 50 N GLN A 4 -7.217 5.200 0.930 1.00 0.00 N ATOM 51 CA GLN A 4 -7.480 3.848 0.441 1.00 0.00 C ATOM 52 C GLN A 4 -8.002 3.887 -0.994 1.00 0.00 C ATOM 53 O GLN A 4 -8.033 4.947 -1.619 1.00 0.00 O ATOM 54 CB GLN A 4 -8.489 3.139 1.349 1.00 0.00 C ATOM 55 CG GLN A 4 -9.603 4.040 1.868 1.00 0.00 C ATOM 56 CD GLN A 4 -10.326 4.791 0.766 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.734 5.610 0.063 1.00 0.00 O ATOM 58 NE2 GLN A 4 -11.617 4.521 0.614 1.00 0.00 N ATOM 0 H GLN A 4 -8.047 5.699 1.249 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.543 3.291 0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.934 2.309 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.958 2.711 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.323 3.436 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.183 4.758 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.069 3.835 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.157 5.000 -0.107 1.00 0.00 H new ATOM 67 N PHE A 5 -8.409 2.733 -1.515 1.00 0.00 N ATOM 68 CA PHE A 5 -8.923 2.663 -2.878 1.00 0.00 C ATOM 69 C PHE A 5 -10.158 1.775 -2.976 1.00 0.00 C ATOM 70 O PHE A 5 -10.048 0.550 -3.025 1.00 0.00 O ATOM 71 CB PHE A 5 -7.854 2.141 -3.837 1.00 0.00 C ATOM 72 CG PHE A 5 -6.675 3.055 -3.997 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.852 4.428 -4.084 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.393 2.540 -4.091 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.770 5.270 -4.263 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.308 3.379 -4.265 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.497 4.744 -4.353 1.00 0.00 C ATOM 0 H PHE A 5 -8.393 1.842 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.203 3.678 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.503 1.172 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.307 1.976 -4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.846 4.844 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.239 1.473 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.921 6.337 -4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.312 2.967 -4.332 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.650 5.399 -4.492 1.00 0.00 H new ATOM 87 N LYS A 6 -11.328 2.400 -3.034 1.00 0.00 N ATOM 88 CA LYS A 6 -12.579 1.661 -3.162 1.00 0.00 C ATOM 89 C LYS A 6 -12.841 1.313 -4.626 1.00 0.00 C ATOM 90 O LYS A 6 -13.600 0.395 -4.930 1.00 0.00 O ATOM 91 CB LYS A 6 -13.747 2.471 -2.597 1.00 0.00 C ATOM 92 CG LYS A 6 -13.787 2.508 -1.078 1.00 0.00 C ATOM 93 CD LYS A 6 -13.992 1.116 -0.498 1.00 0.00 C ATOM 94 CE LYS A 6 -14.130 1.156 1.016 1.00 0.00 C ATOM 95 NZ LYS A 6 -12.915 1.708 1.676 1.00 0.00 N ATOM 0 H LYS A 6 -11.437 3.413 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.491 0.738 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.686 3.492 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.682 2.050 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.857 2.930 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.593 3.164 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.885 0.667 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.150 0.480 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.995 1.763 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.319 0.149 1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.505 0.989 2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.217 1.973 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.173 2.548 2.232 1.00 0.00 H new ATOM 109 N THR A 7 -12.196 2.048 -5.528 1.00 0.00 N ATOM 110 CA THR A 7 -12.343 1.813 -6.960 1.00 0.00 C ATOM 111 C THR A 7 -10.974 1.791 -7.632 1.00 0.00 C ATOM 112 O THR A 7 -10.209 2.749 -7.532 1.00 0.00 O ATOM 113 CB THR A 7 -13.220 2.894 -7.593 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.647 4.177 -7.408 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.624 2.932 -7.030 1.00 0.00 C ATOM 0 H THR A 7 -11.565 2.813 -5.291 1.00 0.00 H new ATOM 0 HA THR A 7 -12.824 0.846 -7.104 1.00 0.00 H new ATOM 0 HB THR A 7 -13.278 2.636 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.678 4.089 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.192 3.721 -7.523 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.111 1.972 -7.202 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.581 3.130 -5.959 1.00 0.00 H new ATOM 123 N ALA A 8 -10.665 0.688 -8.308 1.00 0.00 N ATOM 124 CA ALA A 8 -9.379 0.545 -8.984 1.00 0.00 C ATOM 125 C ALA A 8 -9.117 1.703 -9.933 1.00 0.00 C ATOM 126 O ALA A 8 -7.966 2.049 -10.202 1.00 0.00 O ATOM 127 CB ALA A 8 -9.309 -0.784 -9.722 1.00 0.00 C ATOM 0 H ALA A 8 -11.285 -0.117 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.599 0.561 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.344 -0.873 -10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.428 -1.602 -9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.106 -0.830 -10.464 1.00 0.00 H new ATOM 133 N SER A 9 -10.186 2.314 -10.424 1.00 0.00 N ATOM 134 CA SER A 9 -10.063 3.450 -11.324 1.00 0.00 C ATOM 135 C SER A 9 -9.215 4.542 -10.687 1.00 0.00 C ATOM 136 O SER A 9 -8.644 5.389 -11.375 1.00 0.00 O ATOM 137 CB SER A 9 -11.444 4.017 -11.642 1.00 0.00 C ATOM 138 OG SER A 9 -11.366 5.029 -12.633 1.00 0.00 O ATOM 0 H SER A 9 -11.146 2.042 -10.214 1.00 0.00 H new ATOM 0 HA SER A 9 -9.584 3.109 -12.242 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.098 3.216 -11.987 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.890 4.426 -10.735 1.00 0.00 H new ATOM 0 HG SER A 9 -12.264 5.374 -12.819 1.00 0.00 H new ATOM 144 N GLU A 10 -9.158 4.524 -9.359 1.00 0.00 N ATOM 145 CA GLU A 10 -8.408 5.515 -8.613 1.00 0.00 C ATOM 146 C GLU A 10 -6.973 5.067 -8.370 1.00 0.00 C ATOM 147 O GLU A 10 -6.048 5.879 -8.360 1.00 0.00 O ATOM 148 CB GLU A 10 -9.111 5.798 -7.286 1.00 0.00 C ATOM 149 CG GLU A 10 -8.450 6.887 -6.469 1.00 0.00 C ATOM 150 CD GLU A 10 -8.367 8.206 -7.212 1.00 0.00 C ATOM 151 OE1 GLU A 10 -9.430 8.744 -7.588 1.00 0.00 O ATOM 152 OE2 GLU A 10 -7.240 8.702 -7.419 1.00 0.00 O ATOM 0 H GLU A 10 -9.627 3.828 -8.779 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.367 6.429 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.144 6.082 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.140 4.881 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.007 7.030 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.446 6.568 -6.190 1.00 0.00 H new ATOM 159 N PHE A 11 -6.800 3.770 -8.167 1.00 0.00 N ATOM 160 CA PHE A 11 -5.485 3.201 -7.914 1.00 0.00 C ATOM 161 C PHE A 11 -4.659 3.141 -9.199 1.00 0.00 C ATOM 162 O PHE A 11 -3.430 3.116 -9.162 1.00 0.00 O ATOM 163 CB PHE A 11 -5.624 1.799 -7.314 1.00 0.00 C ATOM 164 CG PHE A 11 -4.360 1.256 -6.698 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.200 2.019 -6.646 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.338 -0.021 -6.160 1.00 0.00 C ATOM 167 CE1 PHE A 11 -2.050 1.518 -6.072 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.187 -0.526 -5.585 1.00 0.00 C ATOM 169 CZ PHE A 11 -2.043 0.244 -5.542 1.00 0.00 C ATOM 0 H PHE A 11 -7.559 3.088 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.966 3.845 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.405 1.818 -6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.956 1.115 -8.095 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.199 3.016 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.230 -0.629 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.156 2.123 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.183 -1.523 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.143 -0.150 -5.094 1.00 0.00 H new ATOM 179 N ASP A 12 -5.345 3.112 -10.339 1.00 0.00 N ATOM 180 CA ASP A 12 -4.674 3.049 -11.634 1.00 0.00 C ATOM 181 C ASP A 12 -3.740 4.242 -11.827 1.00 0.00 C ATOM 182 O ASP A 12 -2.519 4.088 -11.856 1.00 0.00 O ATOM 183 CB ASP A 12 -5.708 3.007 -12.761 1.00 0.00 C ATOM 184 CG ASP A 12 -5.066 2.898 -14.132 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.290 3.806 -14.497 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.341 1.906 -14.839 1.00 0.00 O ATOM 0 H ASP A 12 -6.363 3.131 -10.392 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.075 2.139 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.375 2.159 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.322 3.907 -12.721 1.00 0.00 H new ATOM 191 N SER A 13 -4.323 5.428 -11.969 1.00 0.00 N ATOM 192 CA SER A 13 -3.547 6.649 -12.168 1.00 0.00 C ATOM 193 C SER A 13 -2.545 6.865 -11.035 1.00 0.00 C ATOM 194 O SER A 13 -1.540 7.555 -11.209 1.00 0.00 O ATOM 195 CB SER A 13 -4.480 7.856 -12.273 1.00 0.00 C ATOM 196 OG SER A 13 -3.746 9.052 -12.468 1.00 0.00 O ATOM 0 H SER A 13 -5.333 5.571 -11.950 1.00 0.00 H new ATOM 0 HA SER A 13 -2.989 6.540 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.174 7.712 -13.101 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.079 7.937 -11.366 1.00 0.00 H new ATOM 0 HG SER A 13 -4.365 9.809 -12.534 1.00 0.00 H new ATOM 202 N ALA A 14 -2.824 6.277 -9.876 1.00 0.00 N ATOM 203 CA ALA A 14 -1.947 6.413 -8.717 1.00 0.00 C ATOM 204 C ALA A 14 -0.505 6.051 -9.062 1.00 0.00 C ATOM 205 O ALA A 14 0.388 6.895 -9.006 1.00 0.00 O ATOM 206 CB ALA A 14 -2.449 5.546 -7.573 1.00 0.00 C ATOM 0 H ALA A 14 -3.650 5.702 -9.714 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.963 7.458 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.786 5.656 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.456 5.857 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.465 4.502 -7.887 1.00 0.00 H new ATOM 212 N ILE A 15 -0.287 4.789 -9.414 1.00 0.00 N ATOM 213 CA ILE A 15 1.046 4.309 -9.764 1.00 0.00 C ATOM 214 C ILE A 15 1.607 5.050 -10.975 1.00 0.00 C ATOM 215 O ILE A 15 2.755 5.489 -10.960 1.00 0.00 O ATOM 216 CB ILE A 15 1.038 2.791 -10.037 1.00 0.00 C ATOM 217 CG1 ILE A 15 0.080 2.443 -11.178 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.654 2.038 -8.770 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.025 0.956 -11.448 1.00 0.00 C ATOM 0 H ILE A 15 -1.017 4.078 -9.465 1.00 0.00 H new ATOM 0 HA ILE A 15 1.691 4.508 -8.908 1.00 0.00 H new ATOM 0 HB ILE A 15 2.041 2.490 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.910 2.832 -10.941 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.411 2.946 -12.086 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.650 0.967 -8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.376 2.258 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.340 2.350 -8.448 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.721 0.784 -12.269 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.956 0.565 -11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.386 0.448 -10.554 1.00 0.00 H new ATOM 231 N ALA A 16 0.794 5.181 -12.021 1.00 0.00 N ATOM 232 CA ALA A 16 1.207 5.858 -13.251 1.00 0.00 C ATOM 233 C ALA A 16 2.038 7.110 -12.977 1.00 0.00 C ATOM 234 O ALA A 16 1.496 8.184 -12.714 1.00 0.00 O ATOM 235 CB ALA A 16 -0.012 6.211 -14.088 1.00 0.00 C ATOM 0 H ALA A 16 -0.162 4.825 -12.042 1.00 0.00 H new ATOM 0 HA ALA A 16 1.842 5.165 -13.803 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.307 6.714 -15.001 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.553 5.300 -14.346 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.665 6.872 -13.518 1.00 0.00 H new ATOM 241 N GLN A 17 3.364 6.964 -13.053 1.00 0.00 N ATOM 242 CA GLN A 17 4.283 8.077 -12.825 1.00 0.00 C ATOM 243 C GLN A 17 3.857 8.909 -11.623 1.00 0.00 C ATOM 244 O GLN A 17 3.118 9.882 -11.761 1.00 0.00 O ATOM 245 CB GLN A 17 4.367 8.962 -14.069 1.00 0.00 C ATOM 246 CG GLN A 17 4.992 8.266 -15.266 1.00 0.00 C ATOM 247 CD GLN A 17 5.077 9.165 -16.483 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.676 10.239 -16.437 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.481 8.724 -17.585 1.00 0.00 N ATOM 0 H GLN A 17 3.824 6.080 -13.272 1.00 0.00 H new ATOM 0 HA GLN A 17 5.267 7.658 -12.617 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.364 9.296 -14.336 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.948 9.853 -13.833 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.992 7.923 -15.001 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.407 7.380 -15.513 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.995 7.827 -17.578 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.509 9.282 -18.438 1.00 0.00 H new ATOM 258 N ASP A 18 4.329 8.522 -10.443 1.00 0.00 N ATOM 259 CA ASP A 18 3.985 9.243 -9.232 1.00 0.00 C ATOM 260 C ASP A 18 4.871 8.831 -8.060 1.00 0.00 C ATOM 261 O ASP A 18 4.401 8.735 -6.927 1.00 0.00 O ATOM 262 CB ASP A 18 2.511 9.019 -8.885 1.00 0.00 C ATOM 263 CG ASP A 18 2.048 9.876 -7.721 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.871 10.648 -7.185 1.00 0.00 O ATOM 265 OD2 ASP A 18 0.860 9.776 -7.350 1.00 0.00 O ATOM 0 H ASP A 18 4.945 7.721 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 18 4.154 10.304 -9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.898 9.239 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.354 7.968 -8.642 1.00 0.00 H new ATOM 270 N LYS A 19 6.157 8.603 -8.334 1.00 0.00 N ATOM 271 CA LYS A 19 7.102 8.226 -7.284 1.00 0.00 C ATOM 272 C LYS A 19 6.819 6.812 -6.782 1.00 0.00 C ATOM 273 O LYS A 19 6.257 5.991 -7.507 1.00 0.00 O ATOM 274 CB LYS A 19 7.022 9.269 -6.159 1.00 0.00 C ATOM 275 CG LYS A 19 7.494 10.652 -6.590 1.00 0.00 C ATOM 276 CD LYS A 19 6.862 11.761 -5.759 1.00 0.00 C ATOM 277 CE LYS A 19 5.346 11.763 -5.882 1.00 0.00 C ATOM 278 NZ LYS A 19 4.732 12.893 -5.130 1.00 0.00 N ATOM 0 H LYS A 19 6.564 8.672 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 19 8.118 8.214 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.993 9.337 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.626 8.932 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.579 10.708 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.252 10.805 -7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.142 11.636 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.254 12.726 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.067 11.832 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.950 10.819 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.698 12.861 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.978 12.814 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.091 13.795 -5.504 1.00 0.00 H new ATOM 292 N LEU A 20 7.224 6.529 -5.557 1.00 0.00 N ATOM 293 CA LEU A 20 7.031 5.208 -4.973 1.00 0.00 C ATOM 294 C LEU A 20 5.790 5.189 -4.091 1.00 0.00 C ATOM 295 O LEU A 20 5.743 5.835 -3.044 1.00 0.00 O ATOM 296 CB LEU A 20 8.254 4.823 -4.138 1.00 0.00 C ATOM 297 CG LEU A 20 8.168 3.459 -3.450 1.00 0.00 C ATOM 298 CD1 LEU A 20 8.274 2.337 -4.470 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.254 3.329 -2.393 1.00 0.00 C ATOM 0 H LEU A 20 7.690 7.197 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 20 6.901 4.490 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.132 4.832 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.410 5.587 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 20 7.198 3.381 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.211 1.375 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.459 2.421 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.228 2.409 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.179 2.353 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.233 3.428 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.129 4.112 -1.645 1.00 0.00 H new ATOM 311 N VAL A 21 4.780 4.452 -4.538 1.00 0.00 N ATOM 312 CA VAL A 21 3.523 4.348 -3.811 1.00 0.00 C ATOM 313 C VAL A 21 3.432 3.039 -3.035 1.00 0.00 C ATOM 314 O VAL A 21 3.561 1.956 -3.605 1.00 0.00 O ATOM 315 CB VAL A 21 2.321 4.444 -4.772 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.010 4.412 -4.002 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.419 5.699 -5.628 1.00 0.00 C ATOM 0 H VAL A 21 4.809 3.916 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 21 3.495 5.180 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 21 2.342 3.579 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.176 4.481 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.939 3.479 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.974 5.253 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.562 5.749 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.428 6.579 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.338 5.669 -6.214 1.00 0.00 H new ATOM 327 N VAL A 22 3.196 3.147 -1.733 1.00 0.00 N ATOM 328 CA VAL A 22 3.070 1.975 -0.877 1.00 0.00 C ATOM 329 C VAL A 22 1.603 1.719 -0.550 1.00 0.00 C ATOM 330 O VAL A 22 1.032 2.361 0.332 1.00 0.00 O ATOM 331 CB VAL A 22 3.863 2.145 0.433 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.768 0.889 1.287 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.314 2.485 0.136 1.00 0.00 C ATOM 0 H VAL A 22 3.088 4.037 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 22 3.481 1.124 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 22 3.425 2.970 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.335 1.031 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.724 0.693 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.177 0.042 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.859 2.602 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.764 1.682 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.361 3.416 -0.430 1.00 0.00 H new ATOM 343 N VAL A 23 0.993 0.790 -1.277 1.00 0.00 N ATOM 344 CA VAL A 23 -0.413 0.467 -1.074 1.00 0.00 C ATOM 345 C VAL A 23 -0.589 -0.867 -0.359 1.00 0.00 C ATOM 346 O VAL A 23 0.015 -1.873 -0.735 1.00 0.00 O ATOM 347 CB VAL A 23 -1.172 0.426 -2.412 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.662 0.222 -2.182 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.912 1.697 -3.206 1.00 0.00 C ATOM 0 H VAL A 23 1.450 0.248 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.827 1.257 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.805 -0.421 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.178 0.196 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.824 -0.720 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.053 1.043 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.455 1.654 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.250 2.560 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.156 1.789 -3.406 1.00 0.00 H new ATOM 359 N ASP A 24 -1.428 -0.865 0.670 1.00 0.00 N ATOM 360 CA ASP A 24 -1.700 -2.068 1.445 1.00 0.00 C ATOM 361 C ASP A 24 -3.022 -2.699 1.009 1.00 0.00 C ATOM 362 O ASP A 24 -4.034 -2.011 0.882 1.00 0.00 O ATOM 363 CB ASP A 24 -1.741 -1.732 2.939 1.00 0.00 C ATOM 364 CG ASP A 24 -2.055 -2.936 3.808 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.277 -4.033 3.255 1.00 0.00 O ATOM 366 OD2 ASP A 24 -2.085 -2.780 5.048 1.00 0.00 O ATOM 0 H ASP A 24 -1.934 -0.038 0.988 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.900 -2.786 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.780 -1.315 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.491 -0.960 3.112 1.00 0.00 H new ATOM 371 N PHE A 25 -3.012 -4.010 0.785 1.00 0.00 N ATOM 372 CA PHE A 25 -4.201 -4.727 0.368 1.00 0.00 C ATOM 373 C PHE A 25 -4.855 -5.418 1.561 1.00 0.00 C ATOM 374 O PHE A 25 -5.181 -6.604 1.508 1.00 0.00 O ATOM 375 CB PHE A 25 -3.819 -5.763 -0.687 1.00 0.00 C ATOM 376 CG PHE A 25 -3.536 -5.196 -2.046 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.600 -4.188 -2.229 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.189 -5.706 -3.152 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.328 -3.700 -3.495 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.926 -5.220 -4.414 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.993 -4.217 -4.589 1.00 0.00 C ATOM 0 H PHE A 25 -2.184 -4.596 0.888 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.915 -4.019 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.938 -6.304 -0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.627 -6.490 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.079 -3.781 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.915 -6.496 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.597 -2.916 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.450 -5.624 -5.268 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.784 -3.838 -5.579 1.00 0.00 H new ATOM 391 N TYR A 26 -5.044 -4.662 2.640 1.00 0.00 N ATOM 392 CA TYR A 26 -5.661 -5.192 3.853 1.00 0.00 C ATOM 393 C TYR A 26 -6.968 -5.913 3.544 1.00 0.00 C ATOM 394 O TYR A 26 -7.701 -5.524 2.639 1.00 0.00 O ATOM 395 CB TYR A 26 -5.908 -4.067 4.863 1.00 0.00 C ATOM 396 CG TYR A 26 -6.526 -2.821 4.265 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.737 -2.873 3.586 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.895 -1.588 4.381 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.301 -1.738 3.041 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.454 -0.446 3.842 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.657 -0.526 3.174 1.00 0.00 C ATOM 402 OH TYR A 26 -8.217 0.607 2.632 1.00 0.00 O ATOM 0 H TYR A 26 -4.778 -3.679 2.699 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.970 -5.915 4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.561 -4.440 5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.961 -3.800 5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.246 -3.820 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.951 -1.522 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.241 -1.798 2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.951 0.505 3.943 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.055 0.374 2.180 1.00 0.00 H new ATOM 412 N ALA A 27 -7.254 -6.966 4.303 1.00 0.00 N ATOM 413 CA ALA A 27 -8.476 -7.731 4.106 1.00 0.00 C ATOM 414 C ALA A 27 -9.701 -6.849 4.295 1.00 0.00 C ATOM 415 O ALA A 27 -9.606 -5.751 4.845 1.00 0.00 O ATOM 416 CB ALA A 27 -8.531 -8.912 5.065 1.00 0.00 C ATOM 0 H ALA A 27 -6.657 -7.307 5.057 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.474 -8.110 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.452 -9.471 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.675 -9.564 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.505 -8.548 6.092 1.00 0.00 H new ATOM 422 N THR A 28 -10.848 -7.335 3.847 1.00 0.00 N ATOM 423 CA THR A 28 -12.089 -6.587 3.979 1.00 0.00 C ATOM 424 C THR A 28 -12.870 -7.040 5.210 1.00 0.00 C ATOM 425 O THR A 28 -14.089 -6.881 5.275 1.00 0.00 O ATOM 426 CB THR A 28 -12.950 -6.754 2.727 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.229 -6.171 2.912 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.160 -8.198 2.326 1.00 0.00 C ATOM 0 H THR A 28 -10.946 -8.242 3.390 1.00 0.00 H new ATOM 0 HA THR A 28 -11.835 -5.534 4.097 1.00 0.00 H new ATOM 0 HB THR A 28 -12.397 -6.251 1.934 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.698 -6.634 3.637 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.780 -8.240 1.430 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.195 -8.663 2.122 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.656 -8.732 3.136 1.00 0.00 H new ATOM 436 N TRP A 29 -12.166 -7.628 6.172 1.00 0.00 N ATOM 437 CA TRP A 29 -12.796 -8.130 7.384 1.00 0.00 C ATOM 438 C TRP A 29 -11.868 -8.052 8.595 1.00 0.00 C ATOM 439 O TRP A 29 -12.289 -7.647 9.678 1.00 0.00 O ATOM 440 CB TRP A 29 -13.225 -9.574 7.159 1.00 0.00 C ATOM 441 CG TRP A 29 -12.189 -10.376 6.436 1.00 0.00 C ATOM 442 CD1 TRP A 29 -12.000 -10.432 5.085 1.00 0.00 C ATOM 443 CD2 TRP A 29 -11.172 -11.194 7.019 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.943 -11.257 4.792 1.00 0.00 N ATOM 445 CE2 TRP A 29 -10.416 -11.733 5.961 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.831 -11.528 8.332 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -9.340 -12.587 6.176 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.762 -12.376 8.545 1.00 0.00 C ATOM 449 CH2 TRP A 29 -9.026 -12.896 7.471 1.00 0.00 C ATOM 0 H TRP A 29 -11.156 -7.768 6.134 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.660 -7.501 7.598 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.434 -10.041 8.121 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.154 -9.589 6.589 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.595 -9.905 4.354 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.606 -11.479 3.855 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.393 -11.131 9.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.773 -12.992 5.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.489 -12.643 9.555 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.193 -13.554 7.670 1.00 0.00 H new ATOM 460 N CYS A 30 -10.610 -8.458 8.416 1.00 0.00 N ATOM 461 CA CYS A 30 -9.634 -8.448 9.510 1.00 0.00 C ATOM 462 C CYS A 30 -9.726 -7.159 10.327 1.00 0.00 C ATOM 463 O CYS A 30 -10.199 -6.134 9.837 1.00 0.00 O ATOM 464 CB CYS A 30 -8.211 -8.616 8.975 1.00 0.00 C ATOM 465 SG CYS A 30 -6.967 -8.830 10.272 1.00 0.00 S ATOM 0 H CYS A 30 -10.242 -8.797 7.527 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.871 -9.290 10.161 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.182 -9.479 8.310 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.952 -7.743 8.376 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.918 -9.415 9.775 1.00 0.00 H new ATOM 471 N GLY A 31 -9.280 -7.225 11.578 1.00 0.00 N ATOM 472 CA GLY A 31 -9.331 -6.062 12.449 1.00 0.00 C ATOM 473 C GLY A 31 -8.048 -5.247 12.437 1.00 0.00 C ATOM 474 O GLY A 31 -8.031 -4.123 11.935 1.00 0.00 O ATOM 0 H GLY A 31 -8.884 -8.062 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.161 -5.425 12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.537 -6.389 13.468 1.00 0.00 H new ATOM 478 N PRO A 32 -6.947 -5.782 12.995 1.00 0.00 N ATOM 479 CA PRO A 32 -5.660 -5.082 13.051 1.00 0.00 C ATOM 480 C PRO A 32 -5.264 -4.455 11.715 1.00 0.00 C ATOM 481 O PRO A 32 -4.511 -3.480 11.679 1.00 0.00 O ATOM 482 CB PRO A 32 -4.658 -6.180 13.448 1.00 0.00 C ATOM 483 CG PRO A 32 -5.422 -7.465 13.417 1.00 0.00 C ATOM 484 CD PRO A 32 -6.862 -7.102 13.626 1.00 0.00 C ATOM 0 HA PRO A 32 -5.695 -4.247 13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.817 -6.209 12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.248 -5.994 14.441 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.284 -7.977 12.465 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.075 -8.143 14.196 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.534 -7.821 13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.122 -7.064 14.684 1.00 0.00 H new ATOM 492 N CYS A 33 -5.765 -5.016 10.621 1.00 0.00 N ATOM 493 CA CYS A 33 -5.451 -4.504 9.291 1.00 0.00 C ATOM 494 C CYS A 33 -5.934 -3.065 9.113 1.00 0.00 C ATOM 495 O CYS A 33 -5.133 -2.155 8.900 1.00 0.00 O ATOM 496 CB CYS A 33 -6.069 -5.393 8.213 1.00 0.00 C ATOM 497 SG CYS A 33 -5.307 -7.025 8.077 1.00 0.00 S ATOM 0 H CYS A 33 -6.389 -5.823 10.627 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.366 -4.514 9.187 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.131 -5.516 8.424 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.992 -4.886 7.251 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.729 -7.783 9.045 1.00 0.00 H new ATOM 503 N LYS A 34 -7.250 -2.866 9.190 1.00 0.00 N ATOM 504 CA LYS A 34 -7.832 -1.536 9.024 1.00 0.00 C ATOM 505 C LYS A 34 -7.225 -0.531 10.000 1.00 0.00 C ATOM 506 O LYS A 34 -7.258 0.676 9.757 1.00 0.00 O ATOM 507 CB LYS A 34 -9.352 -1.586 9.200 1.00 0.00 C ATOM 508 CG LYS A 34 -9.798 -2.110 10.554 1.00 0.00 C ATOM 509 CD LYS A 34 -11.312 -2.075 10.693 1.00 0.00 C ATOM 510 CE LYS A 34 -11.760 -2.590 12.051 1.00 0.00 C ATOM 511 NZ LYS A 34 -13.242 -2.558 12.196 1.00 0.00 N ATOM 0 H LYS A 34 -7.930 -3.606 9.366 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.602 -1.204 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.758 -0.584 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.778 -2.216 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.443 -3.132 10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.345 -1.512 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.667 -1.054 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.764 -2.679 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.404 -3.611 12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.305 -1.986 12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.507 -2.917 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.580 -1.580 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.676 -3.155 11.463 1.00 0.00 H new ATOM 525 N MET A 35 -6.657 -1.029 11.094 1.00 0.00 N ATOM 526 CA MET A 35 -6.029 -0.163 12.088 1.00 0.00 C ATOM 527 C MET A 35 -4.665 0.325 11.598 1.00 0.00 C ATOM 528 O MET A 35 -3.962 1.049 12.303 1.00 0.00 O ATOM 529 CB MET A 35 -5.876 -0.911 13.416 1.00 0.00 C ATOM 530 CG MET A 35 -5.292 -0.063 14.534 1.00 0.00 C ATOM 531 SD MET A 35 -6.250 1.432 14.846 1.00 0.00 S ATOM 532 CE MET A 35 -7.840 0.733 15.284 1.00 0.00 C ATOM 0 H MET A 35 -6.618 -2.024 11.315 1.00 0.00 H new ATOM 0 HA MET A 35 -6.669 0.706 12.241 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.852 -1.283 13.727 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.238 -1.781 13.261 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.244 -0.656 15.447 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.269 0.213 14.279 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.443 1.488 15.788 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.353 0.402 14.381 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.693 -0.117 15.950 1.00 0.00 H new ATOM 542 N ILE A 36 -4.301 -0.077 10.384 1.00 0.00 N ATOM 543 CA ILE A 36 -3.033 0.309 9.781 1.00 0.00 C ATOM 544 C ILE A 36 -3.142 1.658 9.067 1.00 0.00 C ATOM 545 O ILE A 36 -2.133 2.308 8.799 1.00 0.00 O ATOM 546 CB ILE A 36 -2.562 -0.774 8.790 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.296 -2.083 9.534 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.324 -0.323 8.038 1.00 0.00 C ATOM 549 CD1 ILE A 36 -1.818 -3.200 8.634 1.00 0.00 C ATOM 0 H ILE A 36 -4.876 -0.678 9.793 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.300 0.408 10.582 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.353 -0.940 8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.550 -1.907 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.210 -2.398 10.037 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.013 -1.106 7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.548 0.586 7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.520 -0.125 8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.649 -4.098 9.228 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.573 -3.404 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.887 -2.904 8.150 1.00 0.00 H new ATOM 561 N ALA A 37 -4.369 2.078 8.774 1.00 0.00 N ATOM 562 CA ALA A 37 -4.603 3.354 8.102 1.00 0.00 C ATOM 563 C ALA A 37 -3.861 4.506 8.787 1.00 0.00 C ATOM 564 O ALA A 37 -3.245 5.331 8.113 1.00 0.00 O ATOM 565 CB ALA A 37 -6.093 3.649 8.037 1.00 0.00 C ATOM 0 H ALA A 37 -5.217 1.554 8.991 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.210 3.269 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.254 4.603 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.597 2.857 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.498 3.699 9.048 1.00 0.00 H new ATOM 571 N PRO A 38 -3.897 4.583 10.132 1.00 0.00 N ATOM 572 CA PRO A 38 -3.209 5.648 10.863 1.00 0.00 C ATOM 573 C PRO A 38 -1.702 5.438 10.864 1.00 0.00 C ATOM 574 O PRO A 38 -0.933 6.395 10.779 1.00 0.00 O ATOM 575 CB PRO A 38 -3.781 5.549 12.277 1.00 0.00 C ATOM 576 CG PRO A 38 -4.228 4.135 12.420 1.00 0.00 C ATOM 577 CD PRO A 38 -4.589 3.646 11.040 1.00 0.00 C ATOM 0 HA PRO A 38 -3.363 6.629 10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.029 5.802 13.024 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.612 6.241 12.415 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.437 3.522 12.852 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.085 4.067 13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.258 2.620 10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.667 3.661 10.881 1.00 0.00 H new ATOM 585 N MET A 39 -1.286 4.180 10.926 1.00 0.00 N ATOM 586 CA MET A 39 0.132 3.851 10.897 1.00 0.00 C ATOM 587 C MET A 39 0.703 4.244 9.543 1.00 0.00 C ATOM 588 O MET A 39 1.686 4.975 9.458 1.00 0.00 O ATOM 589 CB MET A 39 0.342 2.358 11.151 1.00 0.00 C ATOM 590 CG MET A 39 1.792 1.934 11.140 1.00 0.00 C ATOM 591 SD MET A 39 2.008 0.173 11.451 1.00 0.00 S ATOM 592 CE MET A 39 1.083 -0.528 10.087 1.00 0.00 C ATOM 0 H MET A 39 -1.907 3.374 10.996 1.00 0.00 H new ATOM 0 HA MET A 39 0.648 4.401 11.684 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.095 2.098 12.115 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.198 1.791 10.393 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.231 2.184 10.174 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.337 2.501 11.895 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.335 -1.583 9.981 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.015 -0.428 10.282 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.335 -0.000 9.167 1.00 0.00 H new ATOM 602 N ILE A 40 0.048 3.775 8.484 1.00 0.00 N ATOM 603 CA ILE A 40 0.454 4.090 7.119 1.00 0.00 C ATOM 604 C ILE A 40 0.693 5.592 6.963 1.00 0.00 C ATOM 605 O ILE A 40 1.509 6.022 6.148 1.00 0.00 O ATOM 606 CB ILE A 40 -0.626 3.632 6.110 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.721 2.109 6.090 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.335 4.159 4.713 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.805 1.586 5.171 1.00 0.00 C ATOM 0 H ILE A 40 -0.772 3.171 8.547 1.00 0.00 H new ATOM 0 HA ILE A 40 1.382 3.557 6.913 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.582 4.043 6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.239 1.697 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.909 1.751 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.111 3.820 4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.318 5.249 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.633 3.786 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.817 0.497 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.773 1.970 5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.607 1.915 4.151 1.00 0.00 H new ATOM 621 N GLU A 41 -0.029 6.377 7.753 1.00 0.00 N ATOM 622 CA GLU A 41 0.090 7.827 7.718 1.00 0.00 C ATOM 623 C GLU A 41 1.352 8.289 8.440 1.00 0.00 C ATOM 624 O GLU A 41 1.978 9.274 8.051 1.00 0.00 O ATOM 625 CB GLU A 41 -1.141 8.460 8.367 1.00 0.00 C ATOM 626 CG GLU A 41 -1.089 9.980 8.431 1.00 0.00 C ATOM 627 CD GLU A 41 -2.324 10.580 9.076 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.221 9.810 9.477 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.392 11.822 9.179 1.00 0.00 O ATOM 0 H GLU A 41 -0.708 6.029 8.430 1.00 0.00 H new ATOM 0 HA GLU A 41 0.157 8.143 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.029 8.159 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.250 8.067 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.206 10.286 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.980 10.379 7.422 1.00 0.00 H new ATOM 636 N LYS A 42 1.714 7.570 9.495 1.00 0.00 N ATOM 637 CA LYS A 42 2.896 7.902 10.281 1.00 0.00 C ATOM 638 C LYS A 42 4.175 7.770 9.457 1.00 0.00 C ATOM 639 O LYS A 42 5.195 8.377 9.783 1.00 0.00 O ATOM 640 CB LYS A 42 2.972 7.002 11.517 1.00 0.00 C ATOM 641 CG LYS A 42 1.833 7.211 12.492 1.00 0.00 C ATOM 642 CD LYS A 42 1.965 6.293 13.692 1.00 0.00 C ATOM 643 CE LYS A 42 0.830 6.509 14.671 1.00 0.00 C ATOM 644 NZ LYS A 42 0.934 5.612 15.858 1.00 0.00 N ATOM 0 H LYS A 42 1.205 6.751 9.827 1.00 0.00 H new ATOM 0 HA LYS A 42 2.808 8.942 10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.978 5.960 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.916 7.184 12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.821 8.249 12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.883 7.025 11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.971 5.255 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.918 6.474 14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.830 7.548 15.001 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.121 6.334 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.137 5.794 16.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.908 4.620 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.829 5.796 16.355 1.00 0.00 H new ATOM 658 N PHE A 43 4.121 6.970 8.395 1.00 0.00 N ATOM 659 CA PHE A 43 5.286 6.762 7.541 1.00 0.00 C ATOM 660 C PHE A 43 5.340 7.771 6.398 1.00 0.00 C ATOM 661 O PHE A 43 6.407 8.025 5.837 1.00 0.00 O ATOM 662 CB PHE A 43 5.291 5.338 6.983 1.00 0.00 C ATOM 663 CG PHE A 43 5.463 4.284 8.037 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.534 4.146 9.054 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.559 3.434 8.012 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.692 3.178 10.028 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.722 2.464 8.983 1.00 0.00 C ATOM 668 CZ PHE A 43 5.787 2.336 9.991 1.00 0.00 C ATOM 0 H PHE A 43 3.287 6.458 8.107 1.00 0.00 H new ATOM 0 HA PHE A 43 6.172 6.910 8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.356 5.161 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.095 5.245 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.676 4.802 9.087 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.293 3.531 7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.961 3.080 10.817 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.579 1.807 8.953 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.911 1.578 10.750 1.00 0.00 H new ATOM 678 N SER A 44 4.193 8.341 6.053 1.00 0.00 N ATOM 679 CA SER A 44 4.128 9.318 4.969 1.00 0.00 C ATOM 680 C SER A 44 4.867 10.608 5.332 1.00 0.00 C ATOM 681 O SER A 44 5.059 11.476 4.480 1.00 0.00 O ATOM 682 CB SER A 44 2.673 9.631 4.620 1.00 0.00 C ATOM 683 OG SER A 44 1.985 10.166 5.738 1.00 0.00 O ATOM 0 H SER A 44 3.299 8.147 6.504 1.00 0.00 H new ATOM 0 HA SER A 44 4.619 8.880 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.638 10.341 3.794 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.173 8.723 4.282 1.00 0.00 H new ATOM 0 HG SER A 44 1.972 9.505 6.461 1.00 0.00 H new ATOM 689 N GLU A 45 5.277 10.733 6.591 1.00 0.00 N ATOM 690 CA GLU A 45 5.990 11.921 7.043 1.00 0.00 C ATOM 691 C GLU A 45 7.496 11.771 6.840 1.00 0.00 C ATOM 692 O GLU A 45 8.214 12.760 6.701 1.00 0.00 O ATOM 693 CB GLU A 45 5.688 12.191 8.517 1.00 0.00 C ATOM 694 CG GLU A 45 4.211 12.419 8.804 1.00 0.00 C ATOM 695 CD GLU A 45 3.937 12.686 10.271 1.00 0.00 C ATOM 696 OE1 GLU A 45 4.483 13.671 10.808 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.175 11.908 10.883 1.00 0.00 O ATOM 0 H GLU A 45 5.128 10.028 7.313 1.00 0.00 H new ATOM 0 HA GLU A 45 5.647 12.766 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.039 11.348 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.252 13.066 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.856 13.263 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.643 11.545 8.485 1.00 0.00 H new ATOM 704 N GLN A 46 7.970 10.527 6.832 1.00 0.00 N ATOM 705 CA GLN A 46 9.394 10.253 6.656 1.00 0.00 C ATOM 706 C GLN A 46 9.760 10.072 5.185 1.00 0.00 C ATOM 707 O GLN A 46 10.884 10.369 4.780 1.00 0.00 O ATOM 708 CB GLN A 46 9.790 9.010 7.449 1.00 0.00 C ATOM 709 CG GLN A 46 9.582 9.169 8.941 1.00 0.00 C ATOM 710 CD GLN A 46 9.975 7.930 9.723 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.126 7.497 9.685 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.016 7.353 10.439 1.00 0.00 N ATOM 0 H GLN A 46 7.391 9.695 6.945 1.00 0.00 H new ATOM 0 HA GLN A 46 9.945 11.116 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.208 8.159 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.838 8.781 7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.166 10.018 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.534 9.399 9.135 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.075 7.746 10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.221 6.517 10.986 1.00 0.00 H new ATOM 721 N TYR A 47 8.816 9.582 4.388 1.00 0.00 N ATOM 722 CA TYR A 47 9.064 9.366 2.966 1.00 0.00 C ATOM 723 C TYR A 47 8.062 10.130 2.100 1.00 0.00 C ATOM 724 O TYR A 47 7.507 9.577 1.154 1.00 0.00 O ATOM 725 CB TYR A 47 8.996 7.874 2.651 1.00 0.00 C ATOM 726 CG TYR A 47 10.006 7.050 3.415 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.357 7.100 3.100 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.603 6.227 4.455 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.279 6.346 3.800 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.519 5.468 5.161 1.00 0.00 C ATOM 731 CZ TYR A 47 11.855 5.531 4.829 1.00 0.00 C ATOM 732 OH TYR A 47 12.770 4.779 5.528 1.00 0.00 O ATOM 0 H TYR A 47 7.878 9.328 4.699 1.00 0.00 H new ATOM 0 HA TYR A 47 10.060 9.744 2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.995 7.508 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.154 7.729 1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.692 7.738 2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.557 6.178 4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.327 6.394 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.189 4.830 5.967 1.00 0.00 H new ATOM 0 HH TYR A 47 12.596 3.827 5.375 1.00 0.00 H new ATOM 742 N PRO A 48 7.809 11.411 2.423 1.00 0.00 N ATOM 743 CA PRO A 48 6.865 12.254 1.684 1.00 0.00 C ATOM 744 C PRO A 48 6.885 12.030 0.173 1.00 0.00 C ATOM 745 O PRO A 48 5.862 12.171 -0.497 1.00 0.00 O ATOM 746 CB PRO A 48 7.345 13.662 2.020 1.00 0.00 C ATOM 747 CG PRO A 48 7.911 13.553 3.398 1.00 0.00 C ATOM 748 CD PRO A 48 8.410 12.138 3.557 1.00 0.00 C ATOM 0 HA PRO A 48 5.834 12.040 1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.097 14.004 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.524 14.379 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.723 14.267 3.540 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.152 13.781 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.499 12.094 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.101 11.712 4.512 1.00 0.00 H new ATOM 756 N GLN A 49 8.049 11.691 -0.358 1.00 0.00 N ATOM 757 CA GLN A 49 8.195 11.459 -1.798 1.00 0.00 C ATOM 758 C GLN A 49 7.420 10.220 -2.242 1.00 0.00 C ATOM 759 O GLN A 49 7.158 10.030 -3.428 1.00 0.00 O ATOM 760 CB GLN A 49 9.669 11.308 -2.180 1.00 0.00 C ATOM 761 CG GLN A 49 10.512 12.536 -1.862 1.00 0.00 C ATOM 762 CD GLN A 49 10.112 13.780 -2.646 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.228 13.631 -3.631 1.00 0.00 O flip ATOM 764 NE2 GLN A 49 10.613 14.873 -2.377 1.00 0.00 N flip ATOM 0 H GLN A 49 8.908 11.569 0.179 1.00 0.00 H new ATOM 0 HA GLN A 49 7.783 12.329 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.085 10.447 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.739 11.096 -3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.436 12.750 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.558 12.310 -2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.287 14.951 -1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.354 15.699 -2.916 1.00 0.00 H new ATOM 773 N ALA A 50 7.051 9.380 -1.286 1.00 0.00 N ATOM 774 CA ALA A 50 6.302 8.170 -1.585 1.00 0.00 C ATOM 775 C ALA A 50 4.838 8.340 -1.205 1.00 0.00 C ATOM 776 O ALA A 50 4.523 8.924 -0.168 1.00 0.00 O ATOM 777 CB ALA A 50 6.912 6.980 -0.857 1.00 0.00 C ATOM 0 H ALA A 50 7.259 9.515 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 50 6.355 7.984 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.342 6.080 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.945 6.848 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.886 7.159 0.218 1.00 0.00 H new ATOM 783 N ASP A 51 3.947 7.827 -2.044 1.00 0.00 N ATOM 784 CA ASP A 51 2.520 7.928 -1.781 1.00 0.00 C ATOM 785 C ASP A 51 2.047 6.736 -0.964 1.00 0.00 C ATOM 786 O ASP A 51 2.191 5.586 -1.381 1.00 0.00 O ATOM 787 CB ASP A 51 1.733 8.014 -3.088 1.00 0.00 C ATOM 788 CG ASP A 51 2.130 9.211 -3.929 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.019 9.973 -3.497 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.549 9.387 -5.020 1.00 0.00 O ATOM 0 H ASP A 51 4.187 7.340 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 51 2.343 8.840 -1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.891 7.102 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.668 8.069 -2.864 1.00 0.00 H new ATOM 795 N PHE A 52 1.491 7.017 0.204 1.00 0.00 N ATOM 796 CA PHE A 52 1.009 5.966 1.086 1.00 0.00 C ATOM 797 C PHE A 52 -0.492 5.763 0.936 1.00 0.00 C ATOM 798 O PHE A 52 -1.284 6.295 1.712 1.00 0.00 O ATOM 799 CB PHE A 52 1.359 6.292 2.536 1.00 0.00 C ATOM 800 CG PHE A 52 2.836 6.286 2.801 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.674 7.182 2.156 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.387 5.379 3.691 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.034 7.171 2.395 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.747 5.364 3.934 1.00 0.00 C ATOM 805 CZ PHE A 52 5.571 6.261 3.284 1.00 0.00 C ATOM 0 H PHE A 52 1.362 7.963 0.563 1.00 0.00 H new ATOM 0 HA PHE A 52 1.502 5.036 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.954 7.272 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.875 5.568 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.259 7.896 1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.746 4.675 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.677 7.874 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.165 4.652 4.631 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.635 6.251 3.471 1.00 0.00 H new ATOM 815 N TYR A 53 -0.871 4.974 -0.061 1.00 0.00 N ATOM 816 CA TYR A 53 -2.273 4.677 -0.315 1.00 0.00 C ATOM 817 C TYR A 53 -2.639 3.317 0.262 1.00 0.00 C ATOM 818 O TYR A 53 -1.825 2.678 0.929 1.00 0.00 O ATOM 819 CB TYR A 53 -2.561 4.708 -1.817 1.00 0.00 C ATOM 820 CG TYR A 53 -2.663 6.100 -2.394 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.734 6.926 -2.073 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.697 6.591 -3.263 1.00 0.00 C ATOM 823 CE1 TYR A 53 -3.839 8.198 -2.601 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.793 7.862 -3.793 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.866 8.662 -3.460 1.00 0.00 C ATOM 826 OH TYR A 53 -2.966 9.928 -3.988 1.00 0.00 O ATOM 0 H TYR A 53 -0.223 4.527 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.881 5.439 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.772 4.166 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.493 4.177 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.497 6.567 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.856 5.967 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.679 8.826 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.031 8.228 -4.465 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.199 10.100 -4.573 1.00 0.00 H new ATOM 836 N LYS A 54 -3.862 2.872 0.003 1.00 0.00 N ATOM 837 CA LYS A 54 -4.315 1.585 0.506 1.00 0.00 C ATOM 838 C LYS A 54 -5.343 0.965 -0.431 1.00 0.00 C ATOM 839 O LYS A 54 -6.178 1.663 -1.005 1.00 0.00 O ATOM 840 CB LYS A 54 -4.893 1.747 1.913 1.00 0.00 C ATOM 841 CG LYS A 54 -3.964 2.494 2.855 1.00 0.00 C ATOM 842 CD LYS A 54 -4.517 2.553 4.271 1.00 0.00 C ATOM 843 CE LYS A 54 -5.898 3.192 4.312 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.875 4.607 3.849 1.00 0.00 N ATOM 0 H LYS A 54 -4.553 3.381 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.459 0.911 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.842 2.279 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.106 0.762 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.990 2.006 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.809 3.507 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.570 1.545 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.835 3.120 4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.581 2.618 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.286 3.150 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.783 4.840 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.721 5.236 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.105 4.735 3.162 1.00 0.00 H new ATOM 858 N LEU A 55 -5.265 -0.351 -0.596 1.00 0.00 N ATOM 859 CA LEU A 55 -6.175 -1.071 -1.476 1.00 0.00 C ATOM 860 C LEU A 55 -7.284 -1.748 -0.675 1.00 0.00 C ATOM 861 O LEU A 55 -7.021 -2.436 0.313 1.00 0.00 O ATOM 862 CB LEU A 55 -5.395 -2.105 -2.295 1.00 0.00 C ATOM 863 CG LEU A 55 -6.162 -2.730 -3.465 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.307 -3.594 -2.964 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.678 -1.646 -4.398 1.00 0.00 C ATOM 0 H LEU A 55 -4.577 -0.942 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.641 -0.358 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.495 -1.630 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.071 -2.903 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.476 -3.369 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.836 -4.026 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.912 -4.394 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.996 -2.983 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.221 -2.105 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.346 -0.982 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.838 -1.073 -4.790 1.00 0.00 H new ATOM 877 N ASP A 56 -8.526 -1.539 -1.102 1.00 0.00 N ATOM 878 CA ASP A 56 -9.677 -2.109 -0.431 1.00 0.00 C ATOM 879 C ASP A 56 -10.007 -3.504 -0.955 1.00 0.00 C ATOM 880 O ASP A 56 -10.416 -3.668 -2.104 1.00 0.00 O ATOM 881 CB ASP A 56 -10.877 -1.186 -0.615 1.00 0.00 C ATOM 882 CG ASP A 56 -10.751 0.093 0.189 1.00 0.00 C ATOM 883 OD1 ASP A 56 -10.628 0.002 1.430 1.00 0.00 O ATOM 884 OD2 ASP A 56 -10.779 1.182 -0.416 1.00 0.00 O ATOM 0 H ASP A 56 -8.756 -0.972 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.438 -2.206 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.983 -0.939 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.785 -1.711 -0.318 1.00 0.00 H new ATOM 889 N VAL A 57 -9.851 -4.502 -0.090 1.00 0.00 N ATOM 890 CA VAL A 57 -10.155 -5.884 -0.448 1.00 0.00 C ATOM 891 C VAL A 57 -11.666 -6.128 -0.424 1.00 0.00 C ATOM 892 O VAL A 57 -12.136 -7.218 -0.755 1.00 0.00 O ATOM 893 CB VAL A 57 -9.442 -6.870 0.512 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.885 -8.310 0.273 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.933 -6.749 0.352 1.00 0.00 C ATOM 0 H VAL A 57 -9.515 -4.379 0.865 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.789 -6.058 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.721 -6.606 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.363 -8.971 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.960 -8.392 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.649 -8.598 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.438 -7.445 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.656 -6.984 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.623 -5.731 0.587 1.00 0.00 H new ATOM 905 N ASP A 58 -12.424 -5.103 -0.033 1.00 0.00 N ATOM 906 CA ASP A 58 -13.877 -5.201 0.036 1.00 0.00 C ATOM 907 C ASP A 58 -14.503 -4.983 -1.338 1.00 0.00 C ATOM 908 O ASP A 58 -15.267 -5.817 -1.824 1.00 0.00 O ATOM 909 CB ASP A 58 -14.427 -4.167 1.019 1.00 0.00 C ATOM 910 CG ASP A 58 -15.922 -4.304 1.232 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.531 -5.206 0.619 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.485 -3.510 2.015 1.00 0.00 O ATOM 0 H ASP A 58 -12.052 -4.194 0.241 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.133 -6.203 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.916 -4.273 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.206 -3.166 0.649 1.00 0.00 H new ATOM 917 N GLU A 59 -14.183 -3.847 -1.950 1.00 0.00 N ATOM 918 CA GLU A 59 -14.721 -3.507 -3.261 1.00 0.00 C ATOM 919 C GLU A 59 -13.825 -4.026 -4.382 1.00 0.00 C ATOM 920 O GLU A 59 -14.297 -4.314 -5.481 1.00 0.00 O ATOM 921 CB GLU A 59 -14.887 -1.990 -3.383 1.00 0.00 C ATOM 922 CG GLU A 59 -15.522 -1.550 -4.694 1.00 0.00 C ATOM 923 CD GLU A 59 -16.920 -2.105 -4.888 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.416 -2.804 -3.980 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.522 -1.837 -5.951 1.00 0.00 O ATOM 0 H GLU A 59 -13.553 -3.147 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.695 -3.987 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.498 -1.632 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.910 -1.517 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.561 -0.461 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.891 -1.870 -5.523 1.00 0.00 H new ATOM 932 N LEU A 60 -12.531 -4.142 -4.100 1.00 0.00 N ATOM 933 CA LEU A 60 -11.577 -4.626 -5.095 1.00 0.00 C ATOM 934 C LEU A 60 -11.093 -6.032 -4.754 1.00 0.00 C ATOM 935 O LEU A 60 -9.889 -6.288 -4.691 1.00 0.00 O ATOM 936 CB LEU A 60 -10.380 -3.677 -5.205 1.00 0.00 C ATOM 937 CG LEU A 60 -10.717 -2.254 -5.657 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.596 -1.561 -4.627 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.443 -1.459 -5.903 1.00 0.00 C ATOM 0 H LEU A 60 -12.119 -3.909 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.091 -4.660 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.887 -3.626 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.662 -4.103 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.271 -2.310 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.825 -0.551 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.523 -2.121 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.071 -1.514 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.700 -0.450 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.861 -1.410 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.854 -1.947 -6.679 1.00 0.00 H new ATOM 951 N GLY A 61 -12.037 -6.941 -4.540 1.00 0.00 N ATOM 952 CA GLY A 61 -11.684 -8.310 -4.218 1.00 0.00 C ATOM 953 C GLY A 61 -10.966 -9.007 -5.359 1.00 0.00 C ATOM 954 O GLY A 61 -10.357 -10.060 -5.169 1.00 0.00 O ATOM 0 H GLY A 61 -13.039 -6.755 -4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.048 -8.320 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.588 -8.866 -3.968 1.00 0.00 H new ATOM 958 N ASP A 62 -11.039 -8.419 -6.552 1.00 0.00 N ATOM 959 CA ASP A 62 -10.394 -8.989 -7.727 1.00 0.00 C ATOM 960 C ASP A 62 -8.918 -8.610 -7.792 1.00 0.00 C ATOM 961 O ASP A 62 -8.101 -9.354 -8.335 1.00 0.00 O ATOM 962 CB ASP A 62 -11.102 -8.527 -8.991 1.00 0.00 C ATOM 963 CG ASP A 62 -12.559 -8.945 -9.028 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.828 -10.164 -8.984 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.430 -8.052 -9.098 1.00 0.00 O ATOM 0 H ASP A 62 -11.539 -7.548 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.462 -10.074 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.037 -7.441 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.588 -8.936 -9.861 1.00 0.00 H new ATOM 970 N VAL A 63 -8.580 -7.449 -7.237 1.00 0.00 N ATOM 971 CA VAL A 63 -7.198 -6.981 -7.242 1.00 0.00 C ATOM 972 C VAL A 63 -6.358 -7.785 -6.249 1.00 0.00 C ATOM 973 O VAL A 63 -5.314 -8.328 -6.603 1.00 0.00 O ATOM 974 CB VAL A 63 -7.107 -5.478 -6.914 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.703 -4.958 -7.173 1.00 0.00 C ATOM 976 CG2 VAL A 63 -8.128 -4.692 -7.722 1.00 0.00 C ATOM 0 H VAL A 63 -9.240 -6.819 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.805 -7.131 -8.247 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.331 -5.343 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.659 -3.895 -6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.993 -5.499 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.448 -5.106 -8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.049 -3.633 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.937 -4.834 -8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.131 -5.045 -7.483 1.00 0.00 H new ATOM 986 N ALA A 64 -6.832 -7.894 -5.011 1.00 0.00 N ATOM 987 CA ALA A 64 -6.128 -8.675 -3.997 1.00 0.00 C ATOM 988 C ALA A 64 -5.891 -10.091 -4.511 1.00 0.00 C ATOM 989 O ALA A 64 -4.952 -10.770 -4.095 1.00 0.00 O ATOM 990 CB ALA A 64 -6.927 -8.706 -2.703 1.00 0.00 C ATOM 0 H ALA A 64 -7.694 -7.455 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.165 -8.207 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.389 -9.292 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.064 -7.689 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.901 -9.160 -2.887 1.00 0.00 H new ATOM 996 N GLN A 65 -6.754 -10.527 -5.428 1.00 0.00 N ATOM 997 CA GLN A 65 -6.652 -11.855 -6.018 1.00 0.00 C ATOM 998 C GLN A 65 -5.790 -11.831 -7.279 1.00 0.00 C ATOM 999 O GLN A 65 -5.032 -12.767 -7.537 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.051 -12.402 -6.331 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.051 -13.798 -6.945 1.00 0.00 C ATOM 1002 CD GLN A 65 -7.659 -13.839 -8.420 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -7.651 -12.689 -9.091 1.00 0.00 O flip ATOM 1004 NE2 GLN A 65 -7.390 -14.911 -8.960 1.00 0.00 N flip ATOM 0 H GLN A 65 -7.536 -9.973 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.170 -12.515 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.636 -12.421 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.553 -11.716 -7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.364 -14.429 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.045 -14.230 -6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.405 -15.774 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.151 -14.937 -9.951 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.911 -10.762 -8.070 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.138 -10.645 -9.305 1.00 0.00 C ATOM 1015 C LYS A 66 -3.646 -10.632 -8.997 1.00 0.00 C ATOM 1016 O LYS A 66 -2.854 -11.284 -9.678 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.552 -9.391 -10.096 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.947 -8.091 -9.593 1.00 0.00 C ATOM 1019 CD LYS A 66 -3.559 -7.833 -10.172 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.596 -7.706 -11.688 1.00 0.00 C ATOM 1021 NZ LYS A 66 -2.251 -7.404 -12.251 1.00 0.00 N ATOM 0 H LYS A 66 -6.530 -9.974 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.350 -11.514 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.269 -9.527 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.638 -9.304 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.606 -7.262 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.884 -8.120 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.149 -6.920 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.891 -8.647 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.972 -8.633 -12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.293 -6.917 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.318 -7.325 -13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.903 -6.507 -11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.591 -8.169 -12.004 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.269 -9.895 -7.956 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.886 -9.804 -7.541 1.00 0.00 C ATOM 1037 C ASN A 67 -1.507 -10.982 -6.645 1.00 0.00 C ATOM 1038 O ASN A 67 -0.366 -11.091 -6.194 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.670 -8.492 -6.799 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.818 -7.284 -7.704 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -1.087 -7.133 -8.682 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.769 -6.416 -7.378 1.00 0.00 N ATOM 0 H ASN A 67 -3.914 -9.350 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.250 -9.835 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.386 -8.419 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.675 -8.489 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.917 -5.583 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.352 -6.582 -6.558 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.474 -11.864 -6.391 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.252 -13.035 -5.555 1.00 0.00 C ATOM 1051 C GLU A 68 -1.957 -12.639 -4.113 1.00 0.00 C ATOM 1052 O GLU A 68 -1.165 -13.294 -3.434 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.103 -13.879 -6.111 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.341 -14.367 -7.531 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.193 -15.201 -8.064 1.00 0.00 C ATOM 1056 OE1 GLU A 68 0.794 -15.399 -7.324 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -0.279 -15.657 -9.225 1.00 0.00 O ATOM 0 H GLU A 68 -3.423 -11.785 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.167 -13.627 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.186 -13.291 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.947 -14.740 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.257 -14.957 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.495 -13.508 -8.185 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.600 -11.573 -3.640 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.397 -11.120 -2.272 1.00 0.00 C ATOM 1066 C VAL A 69 -3.665 -11.302 -1.446 1.00 0.00 C ATOM 1067 O VAL A 69 -4.259 -10.332 -0.972 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.966 -9.641 -2.224 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.616 -9.233 -0.803 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.794 -9.397 -3.162 1.00 0.00 C ATOM 0 H VAL A 69 -3.259 -11.014 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.599 -11.730 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.802 -9.026 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.314 -8.186 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.486 -9.368 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.796 -9.852 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.503 -8.348 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.048 -10.021 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.086 -9.647 -4.182 1.00 0.00 H new ATOM 1080 N SER A 70 -4.078 -12.554 -1.278 1.00 0.00 N ATOM 1081 CA SER A 70 -5.275 -12.862 -0.507 1.00 0.00 C ATOM 1082 C SER A 70 -5.019 -12.706 0.990 1.00 0.00 C ATOM 1083 O SER A 70 -5.956 -12.665 1.786 1.00 0.00 O ATOM 1084 CB SER A 70 -5.758 -14.280 -0.809 1.00 0.00 C ATOM 1085 OG SER A 70 -4.785 -15.241 -0.435 1.00 0.00 O ATOM 0 H SER A 70 -3.602 -13.369 -1.665 1.00 0.00 H new ATOM 0 HA SER A 70 -6.051 -12.154 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.688 -14.472 -0.274 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.977 -14.374 -1.873 1.00 0.00 H new ATOM 0 HG SER A 70 -5.119 -16.140 -0.637 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.743 -12.611 1.368 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.375 -12.447 2.770 1.00 0.00 C ATOM 1093 C ALA A 71 -4.048 -11.212 3.355 1.00 0.00 C ATOM 1094 O ALA A 71 -4.940 -10.634 2.733 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.862 -12.356 2.914 1.00 0.00 C ATOM 0 H ALA A 71 -2.953 -12.645 0.724 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.720 -13.319 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.603 -12.234 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.405 -13.268 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.493 -11.500 2.348 1.00 0.00 H new ATOM 1101 N MET A 72 -3.632 -10.804 4.548 1.00 0.00 N ATOM 1102 CA MET A 72 -4.227 -9.634 5.177 1.00 0.00 C ATOM 1103 C MET A 72 -3.515 -9.251 6.477 1.00 0.00 C ATOM 1104 O MET A 72 -3.588 -9.975 7.467 1.00 0.00 O ATOM 1105 CB MET A 72 -5.711 -9.882 5.451 1.00 0.00 C ATOM 1106 CG MET A 72 -5.980 -10.966 6.482 1.00 0.00 C ATOM 1107 SD MET A 72 -5.414 -12.599 5.963 1.00 0.00 S ATOM 1108 CE MET A 72 -5.765 -13.564 7.429 1.00 0.00 C ATOM 0 H MET A 72 -2.897 -11.258 5.091 1.00 0.00 H new ATOM 0 HA MET A 72 -4.115 -8.801 4.483 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.167 -8.952 5.790 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.201 -10.155 4.516 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.488 -10.699 7.417 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.050 -11.007 6.685 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.834 -13.954 7.839 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.253 -12.933 8.172 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.423 -14.393 7.170 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.814 -8.099 6.499 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.682 -7.193 5.358 1.00 0.00 C ATOM 1120 C PRO A 73 -1.488 -7.543 4.472 1.00 0.00 C ATOM 1121 O PRO A 73 -0.904 -8.618 4.602 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.461 -5.853 6.039 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.670 -6.193 7.252 1.00 0.00 C ATOM 1124 CD PRO A 73 -2.083 -7.586 7.668 1.00 0.00 C ATOM 0 HA PRO A 73 -3.543 -7.228 4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.922 -5.160 5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.406 -5.377 6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.602 -6.154 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.863 -5.478 8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.218 -8.206 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.713 -7.568 8.557 1.00 0.00 H new ATOM 1132 N THR A 74 -1.128 -6.627 3.578 1.00 0.00 N ATOM 1133 CA THR A 74 0.003 -6.837 2.679 1.00 0.00 C ATOM 1134 C THR A 74 0.506 -5.508 2.131 1.00 0.00 C ATOM 1135 O THR A 74 -0.265 -4.563 1.983 1.00 0.00 O ATOM 1136 CB THR A 74 -0.393 -7.752 1.517 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.957 -8.962 1.993 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.773 -8.112 0.620 1.00 0.00 C ATOM 0 H THR A 74 -1.603 -5.732 3.456 1.00 0.00 H new ATOM 0 HA THR A 74 0.801 -7.312 3.250 1.00 0.00 H new ATOM 0 HB THR A 74 -1.120 -7.183 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.934 -8.912 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.427 -8.762 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.198 -7.203 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.534 -8.630 1.203 1.00 0.00 H new ATOM 1146 N LEU A 75 1.800 -5.434 1.836 1.00 0.00 N ATOM 1147 CA LEU A 75 2.387 -4.209 1.308 1.00 0.00 C ATOM 1148 C LEU A 75 2.805 -4.370 -0.150 1.00 0.00 C ATOM 1149 O LEU A 75 3.576 -5.267 -0.491 1.00 0.00 O ATOM 1150 CB LEU A 75 3.598 -3.799 2.144 1.00 0.00 C ATOM 1151 CG LEU A 75 3.308 -3.536 3.621 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.563 -3.054 4.322 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.184 -2.521 3.774 1.00 0.00 C ATOM 0 H LEU A 75 2.459 -6.204 1.953 1.00 0.00 H new ATOM 0 HA LEU A 75 1.625 -3.431 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.352 -4.583 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.032 -2.899 1.709 1.00 0.00 H new ATOM 0 HG LEU A 75 2.988 -4.469 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.344 -2.870 5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.340 -3.814 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.908 -2.131 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.992 -2.347 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.473 -1.584 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.280 -2.904 3.300 1.00 0.00 H new ATOM 1165 N LEU A 76 2.298 -3.485 -1.003 1.00 0.00 N ATOM 1166 CA LEU A 76 2.626 -3.511 -2.424 1.00 0.00 C ATOM 1167 C LEU A 76 3.180 -2.159 -2.869 1.00 0.00 C ATOM 1168 O LEU A 76 2.537 -1.125 -2.684 1.00 0.00 O ATOM 1169 CB LEU A 76 1.393 -3.875 -3.257 1.00 0.00 C ATOM 1170 CG LEU A 76 0.815 -5.269 -2.991 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.219 -5.634 -4.046 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.924 -6.312 -2.947 1.00 0.00 C ATOM 0 H LEU A 76 1.657 -2.739 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 76 3.389 -4.273 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.615 -3.135 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.653 -3.802 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 76 0.321 -5.252 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.616 -6.627 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.031 -4.907 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.249 -5.629 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.492 -7.295 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.449 -6.325 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.625 -6.064 -2.150 1.00 0.00 H new ATOM 1184 N LEU A 77 4.378 -2.171 -3.448 1.00 0.00 N ATOM 1185 CA LEU A 77 5.015 -0.941 -3.906 1.00 0.00 C ATOM 1186 C LEU A 77 5.053 -0.886 -5.431 1.00 0.00 C ATOM 1187 O LEU A 77 5.122 -1.919 -6.098 1.00 0.00 O ATOM 1188 CB LEU A 77 6.430 -0.828 -3.339 1.00 0.00 C ATOM 1189 CG LEU A 77 6.522 -0.786 -1.810 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.013 -2.084 -1.203 1.00 0.00 C ATOM 1191 CD2 LEU A 77 7.953 -0.515 -1.371 1.00 0.00 C ATOM 0 H LEU A 77 4.925 -3.016 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 77 4.425 -0.099 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.016 -1.674 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.893 0.074 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 77 5.891 0.027 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.088 -2.032 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.972 -2.235 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.614 -2.917 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.001 -0.488 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.604 -1.306 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.281 0.444 -1.772 1.00 0.00 H new ATOM 1203 N PHE A 78 4.993 0.330 -5.976 1.00 0.00 N ATOM 1204 CA PHE A 78 5.000 0.527 -7.425 1.00 0.00 C ATOM 1205 C PHE A 78 5.662 1.856 -7.798 1.00 0.00 C ATOM 1206 O PHE A 78 5.282 2.903 -7.272 1.00 0.00 O ATOM 1207 CB PHE A 78 3.555 0.536 -7.930 1.00 0.00 C ATOM 1208 CG PHE A 78 2.735 -0.623 -7.439 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.965 -1.907 -7.906 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.735 -0.425 -6.503 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.210 -2.971 -7.448 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.977 -1.483 -6.041 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.214 -2.758 -6.514 1.00 0.00 C ATOM 0 H PHE A 78 4.939 1.193 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 78 5.566 -0.284 -7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.077 1.465 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.561 0.529 -9.020 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.742 -2.079 -8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.545 0.570 -6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.398 -3.967 -7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.200 -1.313 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.622 -3.587 -6.155 1.00 0.00 H new ATOM 1223 N LYS A 79 6.634 1.834 -8.718 1.00 0.00 N ATOM 1224 CA LYS A 79 7.288 3.083 -9.133 1.00 0.00 C ATOM 1225 C LYS A 79 7.008 3.400 -10.601 1.00 0.00 C ATOM 1226 O LYS A 79 7.053 2.517 -11.457 1.00 0.00 O ATOM 1227 CB LYS A 79 8.798 3.037 -8.891 1.00 0.00 C ATOM 1228 CG LYS A 79 9.180 3.116 -7.420 1.00 0.00 C ATOM 1229 CD LYS A 79 10.689 3.223 -7.218 1.00 0.00 C ATOM 1230 CE LYS A 79 11.238 4.570 -7.672 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.286 4.695 -9.155 1.00 0.00 N ATOM 0 H LYS A 79 6.978 0.992 -9.179 1.00 0.00 H new ATOM 0 HA LYS A 79 6.864 3.877 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.198 2.115 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.269 3.862 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.693 3.979 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.808 2.232 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.924 3.074 -6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.185 2.426 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.618 5.368 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.241 4.706 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.138 5.223 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.312 3.747 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.441 5.202 -9.488 1.00 0.00 H new ATOM 1245 N ASN A 80 6.723 4.674 -10.886 1.00 0.00 N ATOM 1246 CA ASN A 80 6.440 5.115 -12.252 1.00 0.00 C ATOM 1247 C ASN A 80 5.394 4.229 -12.927 1.00 0.00 C ATOM 1248 O ASN A 80 5.609 3.727 -14.029 1.00 0.00 O ATOM 1249 CB ASN A 80 7.725 5.131 -13.081 1.00 0.00 C ATOM 1250 CG ASN A 80 8.739 6.129 -12.559 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.209 6.020 -11.426 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.073 7.115 -13.383 1.00 0.00 N ATOM 0 H ASN A 80 6.683 5.417 -10.188 1.00 0.00 H new ATOM 0 HA ASN A 80 6.035 6.125 -12.194 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.167 4.135 -13.080 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.483 5.371 -14.116 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.745 7.822 -13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.658 7.165 -14.313 1.00 0.00 H new ATOM 1259 N GLY A 81 4.260 4.045 -12.262 1.00 0.00 N ATOM 1260 CA GLY A 81 3.195 3.225 -12.809 1.00 0.00 C ATOM 1261 C GLY A 81 3.642 1.808 -13.109 1.00 0.00 C ATOM 1262 O GLY A 81 2.991 1.091 -13.868 1.00 0.00 O ATOM 0 H GLY A 81 4.058 4.451 -11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.364 3.198 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.821 3.685 -13.724 1.00 0.00 H new ATOM 1266 N LYS A 82 4.751 1.404 -12.505 1.00 0.00 N ATOM 1267 CA LYS A 82 5.287 0.066 -12.698 1.00 0.00 C ATOM 1268 C LYS A 82 5.345 -0.659 -11.358 1.00 0.00 C ATOM 1269 O LYS A 82 4.600 -0.334 -10.440 1.00 0.00 O ATOM 1270 CB LYS A 82 6.675 0.141 -13.348 1.00 0.00 C ATOM 1271 CG LYS A 82 6.674 0.816 -14.709 1.00 0.00 C ATOM 1272 CD LYS A 82 8.070 0.863 -15.309 1.00 0.00 C ATOM 1273 CE LYS A 82 8.068 1.531 -16.674 1.00 0.00 C ATOM 1274 NZ LYS A 82 7.193 0.814 -17.644 1.00 0.00 N ATOM 0 H LYS A 82 5.299 1.989 -11.874 1.00 0.00 H new ATOM 0 HA LYS A 82 4.634 -0.495 -13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.349 0.682 -12.684 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.073 -0.868 -13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.006 0.279 -15.382 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.284 1.829 -14.613 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.737 1.405 -14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.463 -0.150 -15.399 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.729 2.562 -16.573 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.086 1.567 -17.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.397 1.148 -18.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.375 -0.208 -17.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.196 1.002 -17.416 1.00 0.00 H new ATOM 1288 N GLU A 83 6.223 -1.635 -11.253 1.00 0.00 N ATOM 1289 CA GLU A 83 6.371 -2.401 -10.028 1.00 0.00 C ATOM 1290 C GLU A 83 7.695 -2.040 -9.360 1.00 0.00 C ATOM 1291 O GLU A 83 8.459 -1.239 -9.901 1.00 0.00 O ATOM 1292 CB GLU A 83 6.312 -3.899 -10.375 1.00 0.00 C ATOM 1293 CG GLU A 83 6.421 -4.842 -9.189 1.00 0.00 C ATOM 1294 CD GLU A 83 6.133 -6.282 -9.566 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.827 -6.538 -10.750 1.00 0.00 O ATOM 1296 OE2 GLU A 83 6.212 -7.155 -8.676 1.00 0.00 O ATOM 0 H GLU A 83 6.850 -1.920 -12.006 1.00 0.00 H new ATOM 0 HA GLU A 83 5.567 -2.169 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.374 -4.099 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.117 -4.126 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.423 -4.774 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.724 -4.526 -8.412 1.00 0.00 H new ATOM 1303 N VAL A 84 7.957 -2.611 -8.187 1.00 0.00 N ATOM 1304 CA VAL A 84 9.196 -2.350 -7.458 1.00 0.00 C ATOM 1305 C VAL A 84 9.413 -3.374 -6.351 1.00 0.00 C ATOM 1306 O VAL A 84 10.506 -3.923 -6.215 1.00 0.00 O ATOM 1307 CB VAL A 84 9.243 -0.938 -6.847 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.551 0.096 -7.913 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.940 -0.616 -6.139 1.00 0.00 C ATOM 0 H VAL A 84 7.325 -3.260 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 84 9.994 -2.429 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 84 10.044 -0.911 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.580 1.087 -7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.518 -0.125 -8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.777 0.069 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.995 0.386 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.117 -0.664 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.771 -1.339 -5.341 1.00 0.00 H new ATOM 1319 N ALA A 85 8.377 -3.634 -5.557 1.00 0.00 N ATOM 1320 CA ALA A 85 8.496 -4.600 -4.471 1.00 0.00 C ATOM 1321 C ALA A 85 7.142 -4.951 -3.868 1.00 0.00 C ATOM 1322 O ALA A 85 6.129 -4.316 -4.164 1.00 0.00 O ATOM 1323 CB ALA A 85 9.427 -4.065 -3.395 1.00 0.00 C ATOM 0 H ALA A 85 7.460 -3.196 -5.643 1.00 0.00 H new ATOM 0 HA ALA A 85 8.914 -5.515 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.509 -4.794 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.413 -3.886 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.028 -3.131 -3.000 1.00 0.00 H new ATOM 1329 N LYS A 86 7.142 -5.967 -3.013 1.00 0.00 N ATOM 1330 CA LYS A 86 5.930 -6.422 -2.346 1.00 0.00 C ATOM 1331 C LYS A 86 6.281 -7.231 -1.102 1.00 0.00 C ATOM 1332 O LYS A 86 7.129 -8.120 -1.151 1.00 0.00 O ATOM 1333 CB LYS A 86 5.066 -7.262 -3.290 1.00 0.00 C ATOM 1334 CG LYS A 86 5.679 -8.600 -3.665 1.00 0.00 C ATOM 1335 CD LYS A 86 6.885 -8.444 -4.581 1.00 0.00 C ATOM 1336 CE LYS A 86 6.515 -7.735 -5.873 1.00 0.00 C ATOM 1337 NZ LYS A 86 5.427 -8.445 -6.601 1.00 0.00 N ATOM 0 H LYS A 86 7.978 -6.496 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 86 5.359 -5.542 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.098 -7.437 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.881 -6.691 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.979 -9.127 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.928 -9.216 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.664 -7.881 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.299 -9.426 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.199 -6.716 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.394 -7.663 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.503 -8.246 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.513 -9.469 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.504 -8.117 -6.252 1.00 0.00 H new ATOM 1351 N VAL A 87 5.629 -6.916 0.009 1.00 0.00 N ATOM 1352 CA VAL A 87 5.884 -7.616 1.262 1.00 0.00 C ATOM 1353 C VAL A 87 4.612 -7.737 2.093 1.00 0.00 C ATOM 1354 O VAL A 87 4.118 -6.748 2.635 1.00 0.00 O ATOM 1355 CB VAL A 87 6.966 -6.901 2.094 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.284 -7.684 3.359 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.221 -6.684 1.261 1.00 0.00 C ATOM 0 H VAL A 87 4.922 -6.183 0.069 1.00 0.00 H new ATOM 0 HA VAL A 87 6.238 -8.613 1.002 1.00 0.00 H new ATOM 0 HB VAL A 87 6.580 -5.926 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.050 -7.159 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.383 -7.779 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.647 -8.676 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.975 -6.178 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.608 -7.647 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.980 -6.071 0.392 1.00 0.00 H new ATOM 1367 N VAL A 88 4.089 -8.954 2.193 1.00 0.00 N ATOM 1368 CA VAL A 88 2.879 -9.203 2.964 1.00 0.00 C ATOM 1369 C VAL A 88 3.145 -9.041 4.458 1.00 0.00 C ATOM 1370 O VAL A 88 3.140 -10.015 5.212 1.00 0.00 O ATOM 1371 CB VAL A 88 2.315 -10.613 2.686 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.371 -11.673 2.953 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.066 -10.871 3.519 1.00 0.00 C ATOM 0 H VAL A 88 4.485 -9.783 1.749 1.00 0.00 H new ATOM 0 HA VAL A 88 2.138 -8.467 2.652 1.00 0.00 H new ATOM 0 HB VAL A 88 2.035 -10.667 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.955 -12.660 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.230 -11.502 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.686 -11.618 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.687 -11.870 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.313 -10.794 4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.304 -10.133 3.270 1.00 0.00 H new ATOM 1383 N GLY A 89 3.381 -7.801 4.876 1.00 0.00 N ATOM 1384 CA GLY A 89 3.650 -7.523 6.275 1.00 0.00 C ATOM 1385 C GLY A 89 4.412 -6.227 6.469 1.00 0.00 C ATOM 1386 O GLY A 89 5.536 -6.082 5.989 1.00 0.00 O ATOM 0 H GLY A 89 3.391 -6.982 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.708 -7.473 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.223 -8.346 6.703 1.00 0.00 H new ATOM 1390 N ALA A 90 3.798 -5.281 7.174 1.00 0.00 N ATOM 1391 CA ALA A 90 4.426 -3.988 7.430 1.00 0.00 C ATOM 1392 C ALA A 90 5.115 -3.970 8.787 1.00 0.00 C ATOM 1393 O ALA A 90 5.095 -2.962 9.493 1.00 0.00 O ATOM 1394 CB ALA A 90 3.392 -2.875 7.347 1.00 0.00 C ATOM 0 H ALA A 90 2.867 -5.385 7.578 1.00 0.00 H new ATOM 0 HA ALA A 90 5.185 -3.824 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.873 -1.916 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.948 -2.864 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.613 -3.046 8.090 1.00 0.00 H new ATOM 1400 N ASN A 91 5.731 -5.091 9.144 1.00 0.00 N ATOM 1401 CA ASN A 91 6.431 -5.209 10.405 1.00 0.00 C ATOM 1402 C ASN A 91 7.644 -4.280 10.434 1.00 0.00 C ATOM 1403 O ASN A 91 8.424 -4.246 9.483 1.00 0.00 O ATOM 1404 CB ASN A 91 6.872 -6.657 10.603 1.00 0.00 C ATOM 1405 CG ASN A 91 5.699 -7.616 10.654 1.00 0.00 C ATOM 1406 OD1 ASN A 91 4.926 -7.721 9.701 1.00 0.00 O ATOM 1407 ND2 ASN A 91 5.560 -8.323 11.770 1.00 0.00 N ATOM 0 H ASN A 91 5.756 -5.933 8.569 1.00 0.00 H new ATOM 0 HA ASN A 91 5.761 -4.919 11.214 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.539 -6.945 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.444 -6.737 11.528 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.789 -8.985 11.862 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.224 -8.204 12.535 1.00 0.00 H new ATOM 1414 N PRO A 92 7.817 -3.508 11.522 1.00 0.00 N ATOM 1415 CA PRO A 92 8.941 -2.574 11.660 1.00 0.00 C ATOM 1416 C PRO A 92 10.283 -3.215 11.321 1.00 0.00 C ATOM 1417 O PRO A 92 10.984 -3.712 12.203 1.00 0.00 O ATOM 1418 CB PRO A 92 8.889 -2.190 13.138 1.00 0.00 C ATOM 1419 CG PRO A 92 7.449 -2.297 13.483 1.00 0.00 C ATOM 1420 CD PRO A 92 6.932 -3.475 12.703 1.00 0.00 C ATOM 0 HA PRO A 92 8.857 -1.729 10.977 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.497 -2.860 13.747 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.265 -1.180 13.302 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.313 -2.446 14.554 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.914 -1.386 13.217 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.994 -4.398 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.887 -3.345 12.421 1.00 0.00 H new ATOM 1428 N ALA A 93 10.634 -3.202 10.037 1.00 0.00 N ATOM 1429 CA ALA A 93 11.892 -3.786 9.585 1.00 0.00 C ATOM 1430 C ALA A 93 12.022 -3.713 8.067 1.00 0.00 C ATOM 1431 O ALA A 93 13.116 -3.512 7.540 1.00 0.00 O ATOM 1432 CB ALA A 93 12.008 -5.228 10.058 1.00 0.00 C ATOM 0 H ALA A 93 10.066 -2.794 9.294 1.00 0.00 H new ATOM 0 HA ALA A 93 12.706 -3.206 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.952 -5.649 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.974 -5.258 11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.181 -5.811 9.654 1.00 0.00 H new ATOM 1438 N ALA A 94 10.906 -3.886 7.363 1.00 0.00 N ATOM 1439 CA ALA A 94 10.918 -3.847 5.904 1.00 0.00 C ATOM 1440 C ALA A 94 10.079 -2.702 5.363 1.00 0.00 C ATOM 1441 O ALA A 94 10.525 -1.960 4.490 1.00 0.00 O ATOM 1442 CB ALA A 94 10.447 -5.174 5.329 1.00 0.00 C ATOM 0 H ALA A 94 9.988 -4.053 7.776 1.00 0.00 H new ATOM 0 HA ALA A 94 11.948 -3.675 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.463 -5.125 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.109 -5.972 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.431 -5.377 5.668 1.00 0.00 H new ATOM 1448 N ILE A 95 8.870 -2.545 5.885 1.00 0.00 N ATOM 1449 CA ILE A 95 7.994 -1.470 5.442 1.00 0.00 C ATOM 1450 C ILE A 95 8.694 -0.110 5.536 1.00 0.00 C ATOM 1451 O ILE A 95 8.232 0.870 4.953 1.00 0.00 O ATOM 1452 CB ILE A 95 6.695 -1.439 6.273 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.813 -0.252 5.878 1.00 0.00 C ATOM 1454 CG2 ILE A 95 7.020 -1.389 7.758 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.458 -0.210 4.407 1.00 0.00 C ATOM 0 H ILE A 95 8.476 -3.144 6.611 1.00 0.00 H new ATOM 0 HA ILE A 95 7.745 -1.665 4.399 1.00 0.00 H new ATOM 0 HB ILE A 95 6.139 -2.353 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.893 -0.286 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.326 0.672 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.094 -1.367 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.598 -2.271 8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.601 -0.492 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.832 0.660 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.370 -0.143 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.916 -1.116 4.138 1.00 0.00 H new ATOM 1467 N LYS A 96 9.809 -0.056 6.266 1.00 0.00 N ATOM 1468 CA LYS A 96 10.557 1.187 6.418 1.00 0.00 C ATOM 1469 C LYS A 96 11.631 1.316 5.343 1.00 0.00 C ATOM 1470 O LYS A 96 11.723 2.338 4.664 1.00 0.00 O ATOM 1471 CB LYS A 96 11.180 1.277 7.815 1.00 0.00 C ATOM 1472 CG LYS A 96 12.145 0.147 8.133 1.00 0.00 C ATOM 1473 CD LYS A 96 12.664 0.241 9.559 1.00 0.00 C ATOM 1474 CE LYS A 96 13.410 1.544 9.797 1.00 0.00 C ATOM 1475 NZ LYS A 96 13.920 1.646 11.192 1.00 0.00 N ATOM 0 H LYS A 96 10.210 -0.855 6.758 1.00 0.00 H new ATOM 0 HA LYS A 96 9.858 2.015 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.706 2.227 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.383 1.281 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.645 -0.811 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.983 0.177 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.830 0.166 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.326 -0.601 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.244 1.617 9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.747 2.384 9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.422 2.549 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.122 1.602 11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.572 0.859 11.382 1.00 0.00 H new ATOM 1489 N GLN A 97 12.441 0.271 5.194 1.00 0.00 N ATOM 1490 CA GLN A 97 13.504 0.272 4.200 1.00 0.00 C ATOM 1491 C GLN A 97 12.926 0.103 2.802 1.00 0.00 C ATOM 1492 O GLN A 97 13.450 0.648 1.830 1.00 0.00 O ATOM 1493 CB GLN A 97 14.511 -0.843 4.488 1.00 0.00 C ATOM 1494 CG GLN A 97 15.203 -0.708 5.834 1.00 0.00 C ATOM 1495 CD GLN A 97 16.219 -1.805 6.080 1.00 0.00 C ATOM 1496 OE1 GLN A 97 17.180 -1.958 5.323 1.00 0.00 O ATOM 1497 NE2 GLN A 97 16.013 -2.577 7.140 1.00 0.00 N ATOM 0 H GLN A 97 12.380 -0.583 5.748 1.00 0.00 H new ATOM 0 HA GLN A 97 14.019 1.231 4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.997 -1.804 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.265 -0.852 3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.700 0.261 5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.455 -0.727 6.626 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.204 -2.415 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.664 -3.333 7.355 1.00 0.00 H new ATOM 1506 N ALA A 98 11.835 -0.649 2.710 1.00 0.00 N ATOM 1507 CA ALA A 98 11.178 -0.880 1.431 1.00 0.00 C ATOM 1508 C ALA A 98 10.722 0.438 0.817 1.00 0.00 C ATOM 1509 O ALA A 98 10.600 0.563 -0.399 1.00 0.00 O ATOM 1510 CB ALA A 98 9.997 -1.824 1.606 1.00 0.00 C ATOM 0 H ALA A 98 11.388 -1.108 3.504 1.00 0.00 H new ATOM 0 HA ALA A 98 11.895 -1.343 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.516 -1.987 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.348 -2.777 2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.280 -1.385 2.300 1.00 0.00 H new ATOM 1516 N ILE A 99 10.476 1.422 1.676 1.00 0.00 N ATOM 1517 CA ILE A 99 10.042 2.738 1.233 1.00 0.00 C ATOM 1518 C ILE A 99 11.239 3.657 0.981 1.00 0.00 C ATOM 1519 O ILE A 99 11.118 4.672 0.298 1.00 0.00 O ATOM 1520 CB ILE A 99 9.106 3.385 2.278 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.876 2.506 2.500 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.688 4.782 1.835 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.910 3.063 3.524 1.00 0.00 C ATOM 0 H ILE A 99 10.571 1.330 2.687 1.00 0.00 H new ATOM 0 HA ILE A 99 9.498 2.606 0.298 1.00 0.00 H new ATOM 0 HB ILE A 99 9.648 3.474 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.354 2.380 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.200 1.516 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.029 5.220 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.573 5.407 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.162 4.719 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.062 2.387 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.416 3.163 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.556 4.041 3.196 1.00 0.00 H new ATOM 1535 N ALA A 100 12.391 3.291 1.537 1.00 0.00 N ATOM 1536 CA ALA A 100 13.605 4.080 1.374 1.00 0.00 C ATOM 1537 C ALA A 100 14.397 3.622 0.158 1.00 0.00 C ATOM 1538 O ALA A 100 14.550 4.361 -0.814 1.00 0.00 O ATOM 1539 CB ALA A 100 14.462 3.993 2.627 1.00 0.00 C ATOM 0 H ALA A 100 12.508 2.452 2.105 1.00 0.00 H new ATOM 0 HA ALA A 100 13.315 5.119 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.366 4.587 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.900 4.376 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.735 2.954 2.810 1.00 0.00 H new ATOM 1545 N ALA A 101 14.900 2.392 0.222 1.00 0.00 N ATOM 1546 CA ALA A 101 15.680 1.826 -0.871 1.00 0.00 C ATOM 1547 C ALA A 101 14.972 2.012 -2.208 1.00 0.00 C ATOM 1548 O ALA A 101 15.615 2.098 -3.255 1.00 0.00 O ATOM 1549 CB ALA A 101 15.952 0.351 -0.617 1.00 0.00 C ATOM 0 H ALA A 101 14.780 1.769 1.021 1.00 0.00 H new ATOM 0 HA ALA A 101 16.630 2.358 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.535 -0.059 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.509 0.239 0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.006 -0.185 -0.540 1.00 0.00 H new ATOM 1555 N ASN A 102 13.644 2.076 -2.169 1.00 0.00 N ATOM 1556 CA ASN A 102 12.858 2.253 -3.375 1.00 0.00 C ATOM 1557 C ASN A 102 12.625 3.731 -3.674 1.00 0.00 C ATOM 1558 O ASN A 102 12.659 4.151 -4.830 1.00 0.00 O ATOM 1559 CB ASN A 102 11.529 1.521 -3.236 1.00 0.00 C ATOM 1560 CG ASN A 102 11.666 0.029 -3.472 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.089 -0.404 -4.545 1.00 0.00 O ATOM 1562 ND2 ASN A 102 11.307 -0.768 -2.473 1.00 0.00 N ATOM 0 H ASN A 102 13.094 2.007 -1.313 1.00 0.00 H new ATOM 0 HA ASN A 102 13.414 1.831 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.125 1.693 -2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.813 1.935 -3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.377 -1.780 -2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.962 -0.368 -1.600 1.00 0.00 H new ATOM 1569 N ALA A 103 12.395 4.518 -2.628 1.00 0.00 N ATOM 1570 CA ALA A 103 12.162 5.949 -2.789 1.00 0.00 C ATOM 1571 C ALA A 103 13.309 6.764 -2.201 1.00 0.00 C ATOM 1572 O ALA A 103 14.471 6.322 -2.323 1.00 0.00 O ATOM 1573 CB ALA A 103 10.841 6.348 -2.147 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.039 7.839 -1.624 1.00 0.00 O ATOM 0 H ALA A 103 12.365 4.190 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 103 12.111 6.163 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.682 7.419 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.026 5.801 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.867 6.111 -1.083 1.00 0.00 H new