USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 672 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 17 HIS : no HD1:sc= -1.78 X(o=-2.8,f=-3.2) USER MOD Set 1.2: A 81 GLN : amide:sc= -1.03 K(o=-2.8,f=-3.8) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 29 SER OG : 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00859 USER MOD Single : A 15 SER OG : rot -43:sc= 0.52 USER MOD Single : A 16 ASN : amide:sc= -4.73! C(o=-4.7!,f=-17!) USER MOD Single : A 20 SER OG : rot 55:sc= 0.618 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -118:sc= -0.205 (180deg=-0.814) USER MOD Single : A 31 GLN : amide:sc= 0.0166 X(o=0.017,f=0) USER MOD Single : A 35 SER OG : rot -30:sc= 0.921 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 123:sc= -0.0612 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00508 X(o=-0.0051,f=-0.041) USER MOD Single : A 67 THR OG1 : rot -28:sc= 0.87 USER MOD Single : A 71 ASN : amide:sc= -3.21! C(o=-3.2!,f=-4.4!) USER MOD Single : A 72 THR OG1 : rot 91:sc= 0.647 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.0515 F(o=-0.75,f=-0.052) USER MOD Single : A 75 MET CE :methyl 138:sc= -4.15 (180deg=-5.57!) USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0563 (180deg=-0.357) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 158:sc= -0.06 (180deg=-0.385) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.121 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.208 25.514 6.117 1.00 0.00 N ATOM 2 CA GLY A 1 -3.938 24.275 6.316 1.00 0.00 C ATOM 3 C GLY A 1 -3.113 23.225 7.033 1.00 0.00 C ATOM 4 O GLY A 1 -2.918 23.301 8.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.815 26.199 5.623 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.926 25.903 7.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.359 25.329 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.842 24.478 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.256 23.885 5.349 1.00 0.00 H new ATOM 8 N SER A 2 -2.629 22.241 6.283 1.00 0.00 N ATOM 9 CA SER A 2 -1.824 21.168 6.855 1.00 0.00 C ATOM 10 C SER A 2 -0.632 21.731 7.622 1.00 0.00 C ATOM 11 O SER A 2 -0.369 22.934 7.586 1.00 0.00 O ATOM 12 CB SER A 2 -1.337 20.224 5.754 1.00 0.00 C ATOM 13 OG SER A 2 -2.359 19.322 5.366 1.00 0.00 O ATOM 0 H SER A 2 -2.780 22.164 5.277 1.00 0.00 H new ATOM 0 HA SER A 2 -2.450 20.610 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.013 20.804 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.470 19.666 6.107 1.00 0.00 H new ATOM 0 HG SER A 2 -2.023 18.731 4.660 1.00 0.00 H new ATOM 19 N SER A 3 0.086 20.854 8.315 1.00 0.00 N ATOM 20 CA SER A 3 1.249 21.263 9.094 1.00 0.00 C ATOM 21 C SER A 3 2.531 20.687 8.500 1.00 0.00 C ATOM 22 O SER A 3 2.534 19.586 7.952 1.00 0.00 O ATOM 23 CB SER A 3 1.099 20.812 10.548 1.00 0.00 C ATOM 24 OG SER A 3 1.301 19.415 10.673 1.00 0.00 O ATOM 0 H SER A 3 -0.117 19.855 8.353 1.00 0.00 H new ATOM 0 HA SER A 3 1.312 22.351 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.817 21.344 11.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.105 21.073 10.912 1.00 0.00 H new ATOM 0 HG SER A 3 1.201 19.153 11.612 1.00 0.00 H new ATOM 30 N GLY A 4 3.620 21.441 8.615 1.00 0.00 N ATOM 31 CA GLY A 4 4.893 20.990 8.086 1.00 0.00 C ATOM 32 C GLY A 4 5.266 19.604 8.574 1.00 0.00 C ATOM 33 O GLY A 4 4.744 19.133 9.585 1.00 0.00 O ATOM 0 H GLY A 4 3.643 22.356 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.850 20.989 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.673 21.695 8.374 1.00 0.00 H new ATOM 37 N SER A 5 6.171 18.949 7.855 1.00 0.00 N ATOM 38 CA SER A 5 6.609 17.606 8.216 1.00 0.00 C ATOM 39 C SER A 5 8.057 17.374 7.794 1.00 0.00 C ATOM 40 O SER A 5 8.649 18.193 7.092 1.00 0.00 O ATOM 41 CB SER A 5 5.703 16.558 7.568 1.00 0.00 C ATOM 42 OG SER A 5 5.836 16.571 6.157 1.00 0.00 O ATOM 0 H SER A 5 6.616 19.327 7.018 1.00 0.00 H new ATOM 0 HA SER A 5 6.545 17.510 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.954 15.569 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.665 16.751 7.840 1.00 0.00 H new ATOM 0 HG SER A 5 5.248 15.891 5.767 1.00 0.00 H new ATOM 48 N SER A 6 8.620 16.251 8.227 1.00 0.00 N ATOM 49 CA SER A 6 10.000 15.911 7.897 1.00 0.00 C ATOM 50 C SER A 6 10.176 14.400 7.784 1.00 0.00 C ATOM 51 O SER A 6 9.494 13.632 8.462 1.00 0.00 O ATOM 52 CB SER A 6 10.952 16.469 8.957 1.00 0.00 C ATOM 53 OG SER A 6 10.798 17.871 9.094 1.00 0.00 O ATOM 0 H SER A 6 8.143 15.561 8.807 1.00 0.00 H new ATOM 0 HA SER A 6 10.238 16.360 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.760 15.984 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.982 16.238 8.683 1.00 0.00 H new ATOM 0 HG SER A 6 11.416 18.203 9.778 1.00 0.00 H new ATOM 59 N GLY A 7 11.096 13.980 6.921 1.00 0.00 N ATOM 60 CA GLY A 7 11.345 12.563 6.734 1.00 0.00 C ATOM 61 C GLY A 7 11.167 12.129 5.292 1.00 0.00 C ATOM 62 O GLY A 7 10.325 12.651 4.563 1.00 0.00 O ATOM 0 H GLY A 7 11.673 14.596 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.359 12.329 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.668 11.991 7.369 1.00 0.00 H new ATOM 66 N PRO A 8 11.978 11.151 4.860 1.00 0.00 N ATOM 67 CA PRO A 8 11.927 10.626 3.493 1.00 0.00 C ATOM 68 C PRO A 8 10.657 9.825 3.227 1.00 0.00 C ATOM 69 O PRO A 8 9.902 9.516 4.149 1.00 0.00 O ATOM 70 CB PRO A 8 13.158 9.719 3.415 1.00 0.00 C ATOM 71 CG PRO A 8 13.419 9.313 4.824 1.00 0.00 C ATOM 72 CD PRO A 8 13.007 10.482 5.675 1.00 0.00 C ATOM 0 HA PRO A 8 11.921 11.423 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.971 8.852 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.012 10.246 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.850 8.421 5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.472 9.074 4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.610 10.159 6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.848 11.144 5.883 1.00 0.00 H new ATOM 80 N ALA A 9 10.427 9.492 1.961 1.00 0.00 N ATOM 81 CA ALA A 9 9.250 8.725 1.575 1.00 0.00 C ATOM 82 C ALA A 9 9.407 8.147 0.172 1.00 0.00 C ATOM 83 O ALA A 9 9.969 8.790 -0.715 1.00 0.00 O ATOM 84 CB ALA A 9 8.004 9.595 1.653 1.00 0.00 C ATOM 0 H ALA A 9 11.041 9.742 1.186 1.00 0.00 H new ATOM 0 HA ALA A 9 9.144 7.894 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.132 9.009 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.875 9.955 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.111 10.445 0.979 1.00 0.00 H new ATOM 90 N ARG A 10 8.907 6.931 -0.022 1.00 0.00 N ATOM 91 CA ARG A 10 8.993 6.267 -1.316 1.00 0.00 C ATOM 92 C ARG A 10 7.632 6.235 -2.004 1.00 0.00 C ATOM 93 O ARG A 10 6.584 6.171 -1.359 1.00 0.00 O ATOM 94 CB ARG A 10 9.523 4.842 -1.147 1.00 0.00 C ATOM 95 CG ARG A 10 10.906 4.777 -0.520 1.00 0.00 C ATOM 96 CD ARG A 10 11.460 3.361 -0.538 1.00 0.00 C ATOM 97 NE ARG A 10 12.163 3.064 -1.783 1.00 0.00 N ATOM 98 CZ ARG A 10 12.759 1.904 -2.032 1.00 0.00 C ATOM 99 NH1 ARG A 10 12.736 0.935 -1.127 1.00 0.00 N ATOM 100 NH2 ARG A 10 13.380 1.710 -3.189 1.00 0.00 N ATOM 0 H ARG A 10 8.438 6.386 0.701 1.00 0.00 H new ATOM 0 HA ARG A 10 9.683 6.834 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.826 4.275 -0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.552 4.356 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.582 5.440 -1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.858 5.137 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.140 3.227 0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.644 2.651 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 10 12.198 3.788 -2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.260 1.080 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.195 0.045 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.400 2.453 -3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.838 0.818 -3.379 1.00 0.00 H new ATOM 114 N PRO A 11 7.644 6.283 -3.344 1.00 0.00 N ATOM 115 CA PRO A 11 6.419 6.263 -4.149 1.00 0.00 C ATOM 116 C PRO A 11 5.721 4.908 -4.106 1.00 0.00 C ATOM 117 O PRO A 11 6.369 3.863 -4.143 1.00 0.00 O ATOM 118 CB PRO A 11 6.918 6.563 -5.564 1.00 0.00 C ATOM 119 CG PRO A 11 8.339 6.113 -5.568 1.00 0.00 C ATOM 120 CD PRO A 11 8.855 6.363 -4.178 1.00 0.00 C ATOM 0 HA PRO A 11 5.680 6.976 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.332 6.029 -6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.838 7.625 -5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.413 5.057 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.921 6.665 -6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.595 5.618 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.335 7.338 -4.097 1.00 0.00 H new ATOM 128 N PHE A 12 4.394 4.933 -4.030 1.00 0.00 N ATOM 129 CA PHE A 12 3.608 3.705 -3.981 1.00 0.00 C ATOM 130 C PHE A 12 2.203 3.938 -4.530 1.00 0.00 C ATOM 131 O PHE A 12 1.573 4.955 -4.240 1.00 0.00 O ATOM 132 CB PHE A 12 3.527 3.182 -2.546 1.00 0.00 C ATOM 133 CG PHE A 12 4.868 2.865 -1.948 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.584 1.758 -2.370 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.409 3.674 -0.961 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.819 1.463 -1.821 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.643 3.384 -0.409 1.00 0.00 C ATOM 138 CZ PHE A 12 7.347 2.277 -0.839 1.00 0.00 C ATOM 0 H PHE A 12 3.841 5.789 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 12 4.104 2.960 -4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.027 3.925 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.909 2.284 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.174 1.117 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.861 4.540 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.369 0.598 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.056 4.023 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.310 2.048 -0.407 1.00 0.00 H new ATOM 148 N ARG A 13 1.720 2.988 -5.324 1.00 0.00 N ATOM 149 CA ARG A 13 0.391 3.090 -5.914 1.00 0.00 C ATOM 150 C ARG A 13 -0.620 2.262 -5.125 1.00 0.00 C ATOM 151 O ARG A 13 -0.324 1.148 -4.694 1.00 0.00 O ATOM 152 CB ARG A 13 0.420 2.624 -7.372 1.00 0.00 C ATOM 153 CG ARG A 13 0.708 3.740 -8.362 1.00 0.00 C ATOM 154 CD ARG A 13 -0.560 4.490 -8.739 1.00 0.00 C ATOM 155 NE ARG A 13 -0.277 5.846 -9.201 1.00 0.00 N ATOM 156 CZ ARG A 13 -1.184 6.816 -9.236 1.00 0.00 C ATOM 157 NH1 ARG A 13 -2.427 6.580 -8.837 1.00 0.00 N ATOM 158 NH2 ARG A 13 -0.850 8.024 -9.669 1.00 0.00 N ATOM 0 H ARG A 13 2.229 2.140 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 13 0.085 4.136 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.178 1.848 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.540 2.170 -7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.428 4.435 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.166 3.323 -9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.086 3.943 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.226 4.532 -7.877 1.00 0.00 H new ATOM 0 HE ARG A 13 0.670 6.060 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.688 5.652 -8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.122 7.326 -8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.105 8.210 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.548 8.767 -9.695 1.00 0.00 H new ATOM 172 N VAL A 14 -1.813 2.816 -4.940 1.00 0.00 N ATOM 173 CA VAL A 14 -2.869 2.130 -4.203 1.00 0.00 C ATOM 174 C VAL A 14 -4.133 2.001 -5.046 1.00 0.00 C ATOM 175 O VAL A 14 -4.546 2.950 -5.713 1.00 0.00 O ATOM 176 CB VAL A 14 -3.209 2.866 -2.894 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.131 2.019 -2.029 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.939 3.227 -2.139 1.00 0.00 C ATOM 0 H VAL A 14 -2.074 3.738 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.493 1.135 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.731 3.790 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.360 2.555 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.055 1.817 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.639 1.077 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.199 3.746 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.387 2.318 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.319 3.876 -2.758 1.00 0.00 H new ATOM 188 N SER A 15 -4.745 0.822 -5.008 1.00 0.00 N ATOM 189 CA SER A 15 -5.961 0.568 -5.771 1.00 0.00 C ATOM 190 C SER A 15 -7.074 0.052 -4.863 1.00 0.00 C ATOM 191 O SER A 15 -6.813 -0.597 -3.851 1.00 0.00 O ATOM 192 CB SER A 15 -5.688 -0.444 -6.886 1.00 0.00 C ATOM 193 OG SER A 15 -5.243 0.205 -8.065 1.00 0.00 O ATOM 0 H SER A 15 -4.419 0.028 -4.457 1.00 0.00 H new ATOM 0 HA SER A 15 -6.284 1.509 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.936 -1.160 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.595 -1.010 -7.099 1.00 0.00 H new ATOM 0 HG SER A 15 -5.782 1.009 -8.219 1.00 0.00 H new ATOM 199 N ASN A 16 -8.316 0.347 -5.233 1.00 0.00 N ATOM 200 CA ASN A 16 -9.469 -0.086 -4.453 1.00 0.00 C ATOM 201 C ASN A 16 -9.784 -1.556 -4.716 1.00 0.00 C ATOM 202 O ASN A 16 -9.155 -2.195 -5.561 1.00 0.00 O ATOM 203 CB ASN A 16 -10.688 0.775 -4.786 1.00 0.00 C ATOM 204 CG ASN A 16 -11.235 0.492 -6.173 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.865 -0.495 -6.808 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.119 1.361 -6.649 1.00 0.00 N ATOM 0 H ASN A 16 -8.549 0.884 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.226 0.032 -3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.469 0.596 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.416 1.828 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.520 1.224 -7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.397 2.166 -6.087 1.00 0.00 H new ATOM 213 N HIS A 17 -10.761 -2.086 -3.988 1.00 0.00 N ATOM 214 CA HIS A 17 -11.159 -3.480 -4.142 1.00 0.00 C ATOM 215 C HIS A 17 -11.476 -3.796 -5.601 1.00 0.00 C ATOM 216 O HIS A 17 -11.083 -4.841 -6.120 1.00 0.00 O ATOM 217 CB HIS A 17 -12.376 -3.785 -3.267 1.00 0.00 C ATOM 218 CG HIS A 17 -13.628 -3.102 -3.724 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.477 -3.641 -4.668 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.175 -1.918 -3.360 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.490 -2.817 -4.865 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.331 -1.765 -4.083 1.00 0.00 N ATOM 0 H HIS A 17 -11.292 -1.571 -3.285 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.326 -4.107 -3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.543 -4.862 -3.254 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.161 -3.484 -2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.776 -1.224 -2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.310 -2.977 -5.550 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.965 -0.968 -4.026 1.00 0.00 H new ATOM 231 N ASP A 18 -12.188 -2.886 -6.257 1.00 0.00 N ATOM 232 CA ASP A 18 -12.557 -3.068 -7.657 1.00 0.00 C ATOM 233 C ASP A 18 -11.406 -2.672 -8.577 1.00 0.00 C ATOM 234 O ASP A 18 -11.597 -2.478 -9.778 1.00 0.00 O ATOM 235 CB ASP A 18 -13.800 -2.241 -7.989 1.00 0.00 C ATOM 236 CG ASP A 18 -14.536 -2.767 -9.206 1.00 0.00 C ATOM 237 OD1 ASP A 18 -13.872 -3.320 -10.107 1.00 0.00 O ATOM 238 OD2 ASP A 18 -15.776 -2.626 -9.256 1.00 0.00 O ATOM 0 H ASP A 18 -12.521 -2.016 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.779 -4.123 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.473 -2.242 -7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.508 -1.205 -8.164 1.00 0.00 H new ATOM 243 N ARG A 19 -10.212 -2.555 -8.006 1.00 0.00 N ATOM 244 CA ARG A 19 -9.031 -2.180 -8.775 1.00 0.00 C ATOM 245 C ARG A 19 -9.390 -1.182 -9.872 1.00 0.00 C ATOM 246 O ARG A 19 -9.003 -1.348 -11.028 1.00 0.00 O ATOM 247 CB ARG A 19 -8.385 -3.422 -9.394 1.00 0.00 C ATOM 248 CG ARG A 19 -7.438 -4.149 -8.453 1.00 0.00 C ATOM 249 CD ARG A 19 -6.881 -5.413 -9.089 1.00 0.00 C ATOM 250 NE ARG A 19 -5.827 -5.120 -10.056 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.060 -6.052 -10.610 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.228 -7.329 -10.295 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.121 -5.707 -11.482 1.00 0.00 N ATOM 0 H ARG A 19 -10.036 -2.714 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.321 -1.708 -8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.169 -4.110 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.839 -3.129 -10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.617 -3.487 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.963 -4.405 -7.533 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.488 -6.067 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.687 -5.955 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.671 -4.147 -10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.948 -7.599 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.637 -8.042 -10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.988 -4.726 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.532 -6.423 -11.907 1.00 0.00 H new ATOM 267 N SER A 20 -10.133 -0.144 -9.499 1.00 0.00 N ATOM 268 CA SER A 20 -10.549 0.879 -10.450 1.00 0.00 C ATOM 269 C SER A 20 -9.928 2.229 -10.101 1.00 0.00 C ATOM 270 O SER A 20 -9.651 3.043 -10.983 1.00 0.00 O ATOM 271 CB SER A 20 -12.074 0.997 -10.472 1.00 0.00 C ATOM 272 OG SER A 20 -12.660 -0.100 -11.150 1.00 0.00 O ATOM 0 H SER A 20 -10.459 0.010 -8.545 1.00 0.00 H new ATOM 0 HA SER A 20 -10.201 0.583 -11.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.453 1.042 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.363 1.927 -10.961 1.00 0.00 H new ATOM 0 HG SER A 20 -12.349 -0.937 -10.747 1.00 0.00 H new ATOM 278 N SER A 21 -9.713 2.458 -8.810 1.00 0.00 N ATOM 279 CA SER A 21 -9.128 3.710 -8.343 1.00 0.00 C ATOM 280 C SER A 21 -7.609 3.600 -8.254 1.00 0.00 C ATOM 281 O SER A 21 -7.068 2.527 -7.989 1.00 0.00 O ATOM 282 CB SER A 21 -9.704 4.088 -6.977 1.00 0.00 C ATOM 283 OG SER A 21 -10.984 4.682 -7.110 1.00 0.00 O ATOM 0 H SER A 21 -9.935 1.794 -8.069 1.00 0.00 H new ATOM 0 HA SER A 21 -9.377 4.490 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.775 3.199 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.029 4.780 -6.473 1.00 0.00 H new ATOM 0 HG SER A 21 -11.331 4.913 -6.223 1.00 0.00 H new ATOM 289 N ARG A 22 -6.927 4.720 -8.477 1.00 0.00 N ATOM 290 CA ARG A 22 -5.470 4.750 -8.423 1.00 0.00 C ATOM 291 C ARG A 22 -4.982 5.941 -7.603 1.00 0.00 C ATOM 292 O ARG A 22 -5.165 7.094 -7.994 1.00 0.00 O ATOM 293 CB ARG A 22 -4.888 4.818 -9.836 1.00 0.00 C ATOM 294 CG ARG A 22 -5.397 3.721 -10.757 1.00 0.00 C ATOM 295 CD ARG A 22 -5.431 4.181 -12.206 1.00 0.00 C ATOM 296 NE ARG A 22 -4.090 4.302 -12.773 1.00 0.00 N ATOM 297 CZ ARG A 22 -3.818 4.989 -13.878 1.00 0.00 C ATOM 298 NH1 ARG A 22 -4.790 5.612 -14.530 1.00 0.00 N ATOM 299 NH2 ARG A 22 -2.573 5.052 -14.331 1.00 0.00 N ATOM 0 H ARG A 22 -7.360 5.617 -8.696 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.130 3.834 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.128 5.788 -10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.801 4.755 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.757 2.843 -10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.397 3.419 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.012 3.474 -12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.940 5.143 -12.269 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.320 3.834 -12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.748 5.565 -14.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.579 6.139 -15.378 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.824 4.573 -13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.365 5.579 -15.179 1.00 0.00 H new ATOM 313 N ARG A 23 -4.361 5.653 -6.464 1.00 0.00 N ATOM 314 CA ARG A 23 -3.847 6.698 -5.588 1.00 0.00 C ATOM 315 C ARG A 23 -2.368 6.479 -5.287 1.00 0.00 C ATOM 316 O ARG A 23 -1.977 5.429 -4.778 1.00 0.00 O ATOM 317 CB ARG A 23 -4.644 6.738 -4.283 1.00 0.00 C ATOM 318 CG ARG A 23 -4.746 8.125 -3.671 1.00 0.00 C ATOM 319 CD ARG A 23 -3.422 8.567 -3.070 1.00 0.00 C ATOM 320 NE ARG A 23 -3.276 10.020 -3.075 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.474 10.682 -2.249 1.00 0.00 C ATOM 322 NH1 ARG A 23 -1.748 10.024 -1.356 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.395 12.005 -2.316 1.00 0.00 N ATOM 0 H ARG A 23 -4.202 4.704 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.957 7.653 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.649 6.358 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.178 6.066 -3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.057 8.839 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.516 8.128 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.348 8.199 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.602 8.118 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.820 10.556 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.805 9.007 -1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.133 10.535 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.951 12.515 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.779 12.512 -1.681 1.00 0.00 H new ATOM 337 N GLY A 24 -1.549 7.476 -5.606 1.00 0.00 N ATOM 338 CA GLY A 24 -0.122 7.372 -5.362 1.00 0.00 C ATOM 339 C GLY A 24 0.290 8.003 -4.048 1.00 0.00 C ATOM 340 O GLY A 24 0.402 9.225 -3.946 1.00 0.00 O ATOM 0 H GLY A 24 -1.848 8.354 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.168 6.321 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.419 7.853 -6.177 1.00 0.00 H new ATOM 344 N VAL A 25 0.514 7.169 -3.037 1.00 0.00 N ATOM 345 CA VAL A 25 0.915 7.653 -1.721 1.00 0.00 C ATOM 346 C VAL A 25 2.425 7.551 -1.536 1.00 0.00 C ATOM 347 O VAL A 25 3.064 6.635 -2.054 1.00 0.00 O ATOM 348 CB VAL A 25 0.216 6.866 -0.597 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.550 7.465 0.761 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.288 6.840 -0.822 1.00 0.00 C ATOM 0 H VAL A 25 0.425 6.155 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 25 0.614 8.699 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 25 0.581 5.839 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.047 6.896 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.628 7.427 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.215 8.502 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.766 6.280 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.672 7.860 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.505 6.361 -1.777 1.00 0.00 H new ATOM 360 N MET A 26 2.989 8.496 -0.791 1.00 0.00 N ATOM 361 CA MET A 26 4.425 8.510 -0.534 1.00 0.00 C ATOM 362 C MET A 26 4.714 8.313 0.950 1.00 0.00 C ATOM 363 O MET A 26 4.600 9.246 1.744 1.00 0.00 O ATOM 364 CB MET A 26 5.037 9.828 -1.014 1.00 0.00 C ATOM 365 CG MET A 26 5.132 9.939 -2.528 1.00 0.00 C ATOM 366 SD MET A 26 6.491 10.998 -3.063 1.00 0.00 S ATOM 367 CE MET A 26 7.902 10.011 -2.572 1.00 0.00 C ATOM 0 H MET A 26 2.475 9.261 -0.355 1.00 0.00 H new ATOM 0 HA MET A 26 4.876 7.685 -1.086 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.439 10.656 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.034 9.933 -0.587 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.262 8.944 -2.954 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.194 10.333 -2.919 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.488 10.557 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.556 9.072 -2.140 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.522 9.803 -3.444 1.00 0.00 H new ATOM 377 N ALA A 27 5.090 7.092 1.318 1.00 0.00 N ATOM 378 CA ALA A 27 5.397 6.774 2.706 1.00 0.00 C ATOM 379 C ALA A 27 6.785 6.154 2.833 1.00 0.00 C ATOM 380 O ALA A 27 7.327 5.620 1.866 1.00 0.00 O ATOM 381 CB ALA A 27 4.344 5.836 3.279 1.00 0.00 C ATOM 0 H ALA A 27 5.189 6.308 0.674 1.00 0.00 H new ATOM 0 HA ALA A 27 5.389 7.703 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.587 5.607 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.366 6.315 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.324 4.913 2.699 1.00 0.00 H new ATOM 387 N SER A 28 7.354 6.230 4.033 1.00 0.00 N ATOM 388 CA SER A 28 8.680 5.680 4.285 1.00 0.00 C ATOM 389 C SER A 28 8.587 4.239 4.776 1.00 0.00 C ATOM 390 O SER A 28 9.446 3.411 4.472 1.00 0.00 O ATOM 391 CB SER A 28 9.423 6.534 5.314 1.00 0.00 C ATOM 392 OG SER A 28 10.515 5.825 5.874 1.00 0.00 O ATOM 0 H SER A 28 6.917 6.667 4.845 1.00 0.00 H new ATOM 0 HA SER A 28 9.234 5.690 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.783 7.447 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.736 6.834 6.105 1.00 0.00 H new ATOM 0 HG SER A 28 10.974 6.394 6.527 1.00 0.00 H new ATOM 398 N SER A 29 7.538 3.947 5.538 1.00 0.00 N ATOM 399 CA SER A 29 7.334 2.606 6.076 1.00 0.00 C ATOM 400 C SER A 29 5.947 2.082 5.714 1.00 0.00 C ATOM 401 O SER A 29 5.196 2.731 4.983 1.00 0.00 O ATOM 402 CB SER A 29 7.509 2.611 7.595 1.00 0.00 C ATOM 403 OG SER A 29 8.638 3.377 7.976 1.00 0.00 O ATOM 0 H SER A 29 6.816 4.620 5.797 1.00 0.00 H new ATOM 0 HA SER A 29 8.080 1.946 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.614 3.018 8.066 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.622 1.588 7.955 1.00 0.00 H new ATOM 0 HG SER A 29 8.727 3.366 8.952 1.00 0.00 H new ATOM 409 N LEU A 30 5.613 0.905 6.230 1.00 0.00 N ATOM 410 CA LEU A 30 4.317 0.292 5.963 1.00 0.00 C ATOM 411 C LEU A 30 3.207 1.010 6.725 1.00 0.00 C ATOM 412 O LEU A 30 2.294 1.573 6.123 1.00 0.00 O ATOM 413 CB LEU A 30 4.341 -1.188 6.349 1.00 0.00 C ATOM 414 CG LEU A 30 2.979 -1.848 6.567 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.312 -2.148 5.234 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.127 -3.119 7.390 1.00 0.00 C ATOM 0 H LEU A 30 6.222 0.356 6.836 1.00 0.00 H new ATOM 0 HA LEU A 30 4.115 0.379 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.868 -1.738 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.924 -1.295 7.264 1.00 0.00 H new ATOM 0 HG LEU A 30 2.345 -1.154 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.344 -2.617 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.170 -1.219 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.943 -2.822 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.148 -3.575 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.779 -3.818 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.561 -2.876 8.360 1.00 0.00 H new ATOM 428 N GLN A 31 3.296 0.986 8.051 1.00 0.00 N ATOM 429 CA GLN A 31 2.299 1.636 8.894 1.00 0.00 C ATOM 430 C GLN A 31 1.969 3.029 8.370 1.00 0.00 C ATOM 431 O GLN A 31 0.800 3.392 8.240 1.00 0.00 O ATOM 432 CB GLN A 31 2.802 1.726 10.336 1.00 0.00 C ATOM 433 CG GLN A 31 1.875 2.505 11.255 1.00 0.00 C ATOM 434 CD GLN A 31 0.606 1.745 11.585 1.00 0.00 C ATOM 435 OE1 GLN A 31 0.588 0.902 12.482 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.467 2.041 10.860 1.00 0.00 N ATOM 0 H GLN A 31 4.047 0.524 8.564 1.00 0.00 H new ATOM 0 HA GLN A 31 1.390 1.034 8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.930 0.718 10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.785 2.197 10.341 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.402 2.743 12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.614 3.452 10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.408 2.747 10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.350 1.563 11.037 1.00 0.00 H new ATOM 445 N GLU A 32 3.006 3.806 8.072 1.00 0.00 N ATOM 446 CA GLU A 32 2.823 5.160 7.563 1.00 0.00 C ATOM 447 C GLU A 32 1.878 5.169 6.366 1.00 0.00 C ATOM 448 O GLU A 32 0.924 5.948 6.319 1.00 0.00 O ATOM 449 CB GLU A 32 4.172 5.765 7.166 1.00 0.00 C ATOM 450 CG GLU A 32 4.056 7.124 6.496 1.00 0.00 C ATOM 451 CD GLU A 32 5.261 8.006 6.754 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.396 7.546 6.511 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.070 9.158 7.199 1.00 0.00 O ATOM 0 H GLU A 32 3.980 3.521 8.174 1.00 0.00 H new ATOM 0 HA GLU A 32 2.381 5.762 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.794 5.860 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.684 5.079 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.935 6.986 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.159 7.627 6.856 1.00 0.00 H new ATOM 460 N LEU A 33 2.148 4.299 5.400 1.00 0.00 N ATOM 461 CA LEU A 33 1.322 4.206 4.201 1.00 0.00 C ATOM 462 C LEU A 33 -0.132 3.917 4.562 1.00 0.00 C ATOM 463 O LEU A 33 -1.003 4.773 4.400 1.00 0.00 O ATOM 464 CB LEU A 33 1.855 3.112 3.274 1.00 0.00 C ATOM 465 CG LEU A 33 1.000 2.798 2.045 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.990 3.976 1.085 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.508 1.544 1.349 1.00 0.00 C ATOM 0 H LEU A 33 2.933 3.648 5.423 1.00 0.00 H new ATOM 0 HA LEU A 33 1.366 5.165 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.849 3.403 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.971 2.197 3.854 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.023 2.618 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.377 3.733 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.578 4.851 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.008 4.190 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.888 1.335 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.540 1.696 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.460 0.701 2.038 1.00 0.00 H new ATOM 479 N ILE A 34 -0.385 2.710 5.054 1.00 0.00 N ATOM 480 CA ILE A 34 -1.733 2.311 5.441 1.00 0.00 C ATOM 481 C ILE A 34 -2.514 3.490 6.010 1.00 0.00 C ATOM 482 O ILE A 34 -3.528 3.905 5.449 1.00 0.00 O ATOM 483 CB ILE A 34 -1.707 1.177 6.484 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.031 -0.065 5.900 1.00 0.00 C ATOM 485 CG2 ILE A 34 -3.119 0.850 6.946 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.574 -1.054 6.951 1.00 0.00 C ATOM 0 H ILE A 34 0.325 1.991 5.194 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.227 1.953 4.538 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.131 1.510 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.725 -0.562 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.171 0.245 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.084 0.047 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.569 1.735 7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.717 0.533 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.104 -1.909 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.145 -0.573 7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.433 -1.392 7.530 1.00 0.00 H new ATOM 498 N SER A 35 -2.032 4.029 7.126 1.00 0.00 N ATOM 499 CA SER A 35 -2.686 5.160 7.773 1.00 0.00 C ATOM 500 C SER A 35 -2.994 6.260 6.761 1.00 0.00 C ATOM 501 O SER A 35 -4.085 6.831 6.758 1.00 0.00 O ATOM 502 CB SER A 35 -1.803 5.714 8.893 1.00 0.00 C ATOM 503 OG SER A 35 -0.580 6.211 8.380 1.00 0.00 O ATOM 0 H SER A 35 -1.191 3.700 7.600 1.00 0.00 H new ATOM 0 HA SER A 35 -3.626 4.810 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.332 6.511 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.603 4.930 9.624 1.00 0.00 H new ATOM 0 HG SER A 35 -0.334 5.708 7.576 1.00 0.00 H new ATOM 509 N LYS A 36 -2.023 6.554 5.903 1.00 0.00 N ATOM 510 CA LYS A 36 -2.187 7.585 4.885 1.00 0.00 C ATOM 511 C LYS A 36 -3.300 7.213 3.910 1.00 0.00 C ATOM 512 O LYS A 36 -4.253 7.970 3.719 1.00 0.00 O ATOM 513 CB LYS A 36 -0.876 7.792 4.123 1.00 0.00 C ATOM 514 CG LYS A 36 0.030 8.840 4.747 1.00 0.00 C ATOM 515 CD LYS A 36 0.877 9.541 3.698 1.00 0.00 C ATOM 516 CE LYS A 36 2.213 9.991 4.270 1.00 0.00 C ATOM 517 NZ LYS A 36 2.721 11.216 3.592 1.00 0.00 N ATOM 0 H LYS A 36 -1.113 6.092 5.892 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.460 8.514 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.341 6.844 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.103 8.084 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.575 9.575 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.679 8.368 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.048 8.868 2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.337 10.405 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.105 10.185 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.943 9.188 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.633 11.491 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.849 11.024 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.037 11.990 3.714 1.00 0.00 H new ATOM 531 N THR A 37 -3.174 6.042 3.293 1.00 0.00 N ATOM 532 CA THR A 37 -4.168 5.570 2.338 1.00 0.00 C ATOM 533 C THR A 37 -5.578 5.942 2.782 1.00 0.00 C ATOM 534 O THR A 37 -6.267 6.715 2.115 1.00 0.00 O ATOM 535 CB THR A 37 -4.087 4.044 2.150 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.736 3.653 1.885 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.985 3.590 1.009 1.00 0.00 C ATOM 0 H THR A 37 -2.392 5.403 3.438 1.00 0.00 H new ATOM 0 HA THR A 37 -3.949 6.057 1.388 1.00 0.00 H new ATOM 0 HB THR A 37 -4.428 3.569 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.694 2.681 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.911 2.508 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.018 3.862 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.671 4.074 0.084 1.00 0.00 H new ATOM 545 N LEU A 38 -6.001 5.389 3.913 1.00 0.00 N ATOM 546 CA LEU A 38 -7.331 5.663 4.449 1.00 0.00 C ATOM 547 C LEU A 38 -7.708 7.128 4.245 1.00 0.00 C ATOM 548 O LEU A 38 -8.843 7.443 3.887 1.00 0.00 O ATOM 549 CB LEU A 38 -7.385 5.314 5.937 1.00 0.00 C ATOM 550 CG LEU A 38 -7.497 3.826 6.272 1.00 0.00 C ATOM 551 CD1 LEU A 38 -7.056 3.567 7.705 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.920 3.335 6.053 1.00 0.00 C ATOM 0 H LEU A 38 -5.443 4.748 4.477 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.048 5.043 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.488 5.707 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.236 5.831 6.381 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.837 3.272 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.142 2.503 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.019 3.880 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.690 4.132 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.980 2.274 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.601 3.894 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.200 3.484 5.010 1.00 0.00 H new ATOM 564 N ASP A 39 -6.748 8.017 4.473 1.00 0.00 N ATOM 565 CA ASP A 39 -6.978 9.448 4.311 1.00 0.00 C ATOM 566 C ASP A 39 -7.031 9.827 2.835 1.00 0.00 C ATOM 567 O ASP A 39 -7.982 10.461 2.380 1.00 0.00 O ATOM 568 CB ASP A 39 -5.880 10.246 5.017 1.00 0.00 C ATOM 569 CG ASP A 39 -6.092 11.744 4.909 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.186 12.216 5.282 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.164 12.443 4.454 1.00 0.00 O ATOM 0 H ASP A 39 -5.803 7.772 4.770 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.940 9.690 4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.847 9.962 6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.913 9.987 4.587 1.00 0.00 H new ATOM 576 N ALA A 40 -6.001 9.434 2.092 1.00 0.00 N ATOM 577 CA ALA A 40 -5.931 9.731 0.666 1.00 0.00 C ATOM 578 C ALA A 40 -7.201 9.287 -0.051 1.00 0.00 C ATOM 579 O ALA A 40 -7.872 10.089 -0.703 1.00 0.00 O ATOM 580 CB ALA A 40 -4.713 9.063 0.047 1.00 0.00 C ATOM 0 H ALA A 40 -5.204 8.910 2.454 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.838 10.811 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.673 9.293 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.810 9.433 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.782 7.984 0.182 1.00 0.00 H new ATOM 586 N LEU A 41 -7.528 8.005 0.073 1.00 0.00 N ATOM 587 CA LEU A 41 -8.719 7.453 -0.564 1.00 0.00 C ATOM 588 C LEU A 41 -9.985 7.965 0.115 1.00 0.00 C ATOM 589 O LEU A 41 -11.079 7.881 -0.444 1.00 0.00 O ATOM 590 CB LEU A 41 -8.683 5.925 -0.519 1.00 0.00 C ATOM 591 CG LEU A 41 -7.971 5.236 -1.683 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.730 3.767 -1.368 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.778 5.382 -2.964 1.00 0.00 C ATOM 0 H LEU A 41 -6.985 7.328 0.609 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.730 7.779 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.199 5.620 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.709 5.558 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.005 5.719 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.222 3.293 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.110 3.683 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.685 3.271 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.256 4.885 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.759 4.926 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.899 6.439 -3.200 1.00 0.00 H new ATOM 605 N VAL A 42 -9.830 8.495 1.324 1.00 0.00 N ATOM 606 CA VAL A 42 -10.961 9.023 2.078 1.00 0.00 C ATOM 607 C VAL A 42 -11.998 7.938 2.345 1.00 0.00 C ATOM 608 O VAL A 42 -13.178 8.104 2.036 1.00 0.00 O ATOM 609 CB VAL A 42 -11.636 10.191 1.335 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.505 10.998 2.286 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.589 11.077 0.675 1.00 0.00 C ATOM 0 H VAL A 42 -8.932 8.570 1.802 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.566 9.386 3.027 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.277 9.781 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.974 11.819 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.277 10.355 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.888 11.400 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.083 11.897 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.921 11.480 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.012 10.489 -0.039 1.00 0.00 H new ATOM 621 N ILE A 43 -11.550 6.828 2.920 1.00 0.00 N ATOM 622 CA ILE A 43 -12.440 5.715 3.231 1.00 0.00 C ATOM 623 C ILE A 43 -13.256 5.998 4.488 1.00 0.00 C ATOM 624 O ILE A 43 -12.711 6.395 5.517 1.00 0.00 O ATOM 625 CB ILE A 43 -11.656 4.404 3.425 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.847 4.078 2.167 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.606 3.264 3.761 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.711 3.111 2.415 1.00 0.00 C ATOM 0 H ILE A 43 -10.576 6.674 3.180 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.114 5.603 2.381 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.963 4.531 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.514 3.658 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.443 5.003 1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.037 2.344 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.142 3.497 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.320 3.134 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.181 2.925 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.022 3.538 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.110 2.172 2.799 1.00 0.00 H new ATOM 640 N ALA A 44 -14.565 5.789 4.396 1.00 0.00 N ATOM 641 CA ALA A 44 -15.456 6.016 5.527 1.00 0.00 C ATOM 642 C ALA A 44 -14.969 5.274 6.767 1.00 0.00 C ATOM 643 O ALA A 44 -14.727 5.880 7.812 1.00 0.00 O ATOM 644 CB ALA A 44 -16.873 5.590 5.177 1.00 0.00 C ATOM 0 H ALA A 44 -15.032 5.463 3.550 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.455 7.083 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.527 5.765 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.227 6.169 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.882 4.530 4.925 1.00 0.00 H new ATOM 650 N THR A 45 -14.829 3.958 6.647 1.00 0.00 N ATOM 651 CA THR A 45 -14.373 3.133 7.758 1.00 0.00 C ATOM 652 C THR A 45 -12.852 3.130 7.854 1.00 0.00 C ATOM 653 O THR A 45 -12.156 3.290 6.852 1.00 0.00 O ATOM 654 CB THR A 45 -14.869 1.681 7.621 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.448 0.910 8.751 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.341 1.048 6.343 1.00 0.00 C ATOM 0 H THR A 45 -15.025 3.440 5.790 1.00 0.00 H new ATOM 0 HA THR A 45 -14.791 3.568 8.666 1.00 0.00 H new ATOM 0 HB THR A 45 -15.958 1.695 7.578 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.769 -0.011 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.704 0.023 6.268 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.689 1.620 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.251 1.046 6.361 1.00 0.00 H new ATOM 664 N GLY A 46 -12.340 2.948 9.068 1.00 0.00 N ATOM 665 CA GLY A 46 -10.903 2.928 9.271 1.00 0.00 C ATOM 666 C GLY A 46 -10.336 1.523 9.263 1.00 0.00 C ATOM 667 O GLY A 46 -9.200 1.306 8.838 1.00 0.00 O ATOM 0 H GLY A 46 -12.894 2.814 9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.421 3.516 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.667 3.406 10.221 1.00 0.00 H new ATOM 671 N LEU A 47 -11.127 0.565 9.735 1.00 0.00 N ATOM 672 CA LEU A 47 -10.696 -0.828 9.782 1.00 0.00 C ATOM 673 C LEU A 47 -10.503 -1.386 8.375 1.00 0.00 C ATOM 674 O LEU A 47 -11.462 -1.801 7.723 1.00 0.00 O ATOM 675 CB LEU A 47 -11.720 -1.674 10.542 1.00 0.00 C ATOM 676 CG LEU A 47 -11.184 -2.948 11.196 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.445 -3.801 10.178 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.274 -2.604 12.366 1.00 0.00 C ATOM 0 H LEU A 47 -12.069 0.727 10.090 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.740 -0.869 10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.171 -1.054 11.317 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.517 -1.951 9.852 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.030 -3.522 11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.071 -4.703 10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.125 -4.077 9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.608 -3.235 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.902 -3.523 12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.433 -2.008 12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.834 -2.034 13.107 1.00 0.00 H new ATOM 690 N VAL A 48 -9.256 -1.395 7.913 1.00 0.00 N ATOM 691 CA VAL A 48 -8.937 -1.906 6.585 1.00 0.00 C ATOM 692 C VAL A 48 -7.673 -2.757 6.614 1.00 0.00 C ATOM 693 O VAL A 48 -6.899 -2.711 7.571 1.00 0.00 O ATOM 694 CB VAL A 48 -8.747 -0.759 5.574 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.055 -0.011 5.364 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.652 0.188 6.042 1.00 0.00 C ATOM 0 H VAL A 48 -8.451 -1.054 8.439 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.780 -2.522 6.271 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.442 -1.187 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.902 0.796 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.810 -0.698 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.392 0.406 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.531 0.992 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.925 0.610 7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.714 -0.359 6.137 1.00 0.00 H new ATOM 706 N THR A 49 -7.467 -3.537 5.556 1.00 0.00 N ATOM 707 CA THR A 49 -6.297 -4.401 5.459 1.00 0.00 C ATOM 708 C THR A 49 -5.537 -4.153 4.162 1.00 0.00 C ATOM 709 O THR A 49 -6.116 -4.189 3.075 1.00 0.00 O ATOM 710 CB THR A 49 -6.690 -5.889 5.535 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.306 -6.169 6.797 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.471 -6.779 5.351 1.00 0.00 C ATOM 0 H THR A 49 -8.096 -3.588 4.755 1.00 0.00 H new ATOM 0 HA THR A 49 -5.654 -4.159 6.305 1.00 0.00 H new ATOM 0 HB THR A 49 -7.397 -6.098 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.554 -7.116 6.837 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.772 -7.825 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.022 -6.584 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.744 -6.567 6.135 1.00 0.00 H new ATOM 720 N LEU A 50 -4.238 -3.903 4.281 1.00 0.00 N ATOM 721 CA LEU A 50 -3.398 -3.650 3.116 1.00 0.00 C ATOM 722 C LEU A 50 -2.738 -4.936 2.631 1.00 0.00 C ATOM 723 O LEU A 50 -2.195 -5.705 3.425 1.00 0.00 O ATOM 724 CB LEU A 50 -2.328 -2.609 3.451 1.00 0.00 C ATOM 725 CG LEU A 50 -1.748 -1.836 2.264 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.733 -0.784 1.780 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.422 -1.195 2.644 1.00 0.00 C ATOM 0 H LEU A 50 -3.743 -3.870 5.173 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.033 -3.266 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.754 -1.892 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.510 -3.111 3.967 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.569 -2.537 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.304 -0.244 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.658 -1.268 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.944 -0.084 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.023 -0.649 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.576 -0.506 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.285 -1.970 2.942 1.00 0.00 H new ATOM 739 N VAL A 51 -2.784 -5.164 1.322 1.00 0.00 N ATOM 740 CA VAL A 51 -2.188 -6.355 0.731 1.00 0.00 C ATOM 741 C VAL A 51 -1.548 -6.039 -0.616 1.00 0.00 C ATOM 742 O VAL A 51 -1.758 -4.963 -1.178 1.00 0.00 O ATOM 743 CB VAL A 51 -3.233 -7.471 0.542 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.028 -7.681 1.822 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.157 -7.143 -0.622 1.00 0.00 C ATOM 0 H VAL A 51 -3.229 -4.538 0.650 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.420 -6.701 1.422 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.710 -8.399 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.761 -8.473 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.351 -7.964 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.542 -6.757 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.889 -7.942 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.674 -6.204 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.571 -7.048 -1.536 1.00 0.00 H new ATOM 755 N LEU A 52 -0.769 -6.983 -1.131 1.00 0.00 N ATOM 756 CA LEU A 52 -0.097 -6.806 -2.414 1.00 0.00 C ATOM 757 C LEU A 52 -1.091 -6.914 -3.567 1.00 0.00 C ATOM 758 O LEU A 52 -1.924 -7.819 -3.598 1.00 0.00 O ATOM 759 CB LEU A 52 1.010 -7.848 -2.581 1.00 0.00 C ATOM 760 CG LEU A 52 2.195 -7.727 -1.622 1.00 0.00 C ATOM 761 CD1 LEU A 52 3.164 -8.881 -1.823 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.902 -6.394 -1.813 1.00 0.00 C ATOM 0 H LEU A 52 -0.587 -7.880 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 52 0.346 -5.810 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.571 -8.838 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.387 -7.788 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 52 1.817 -7.771 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.001 -8.778 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.651 -9.824 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.536 -8.870 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.742 -6.326 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.267 -6.319 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.204 -5.580 -1.617 1.00 0.00 H new ATOM 774 N GLU A 53 -0.994 -5.986 -4.514 1.00 0.00 N ATOM 775 CA GLU A 53 -1.883 -5.978 -5.669 1.00 0.00 C ATOM 776 C GLU A 53 -1.412 -6.976 -6.724 1.00 0.00 C ATOM 777 O GLU A 53 -1.881 -6.959 -7.862 1.00 0.00 O ATOM 778 CB GLU A 53 -1.956 -4.575 -6.275 1.00 0.00 C ATOM 779 CG GLU A 53 -3.287 -4.270 -6.943 1.00 0.00 C ATOM 780 CD GLU A 53 -3.268 -2.961 -7.709 1.00 0.00 C ATOM 781 OE1 GLU A 53 -2.715 -1.973 -7.180 1.00 0.00 O ATOM 782 OE2 GLU A 53 -3.806 -2.924 -8.835 1.00 0.00 O ATOM 0 H GLU A 53 -0.309 -5.230 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.877 -6.272 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.775 -3.840 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.157 -4.463 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.542 -5.082 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.070 -4.232 -6.185 1.00 0.00 H new ATOM 789 N GLU A 54 -0.483 -7.843 -6.337 1.00 0.00 N ATOM 790 CA GLU A 54 0.052 -8.847 -7.250 1.00 0.00 C ATOM 791 C GLU A 54 -0.535 -10.224 -6.948 1.00 0.00 C ATOM 792 O GLU A 54 -1.043 -10.902 -7.841 1.00 0.00 O ATOM 793 CB GLU A 54 1.578 -8.899 -7.150 1.00 0.00 C ATOM 794 CG GLU A 54 2.109 -8.558 -5.767 1.00 0.00 C ATOM 795 CD GLU A 54 3.619 -8.671 -5.678 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.184 -9.592 -6.304 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.236 -7.837 -4.982 1.00 0.00 O ATOM 0 H GLU A 54 -0.085 -7.871 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.229 -8.565 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.918 -9.898 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.005 -8.206 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.808 -7.543 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.655 -9.224 -5.033 1.00 0.00 H new ATOM 804 N ASP A 55 -0.458 -10.629 -5.686 1.00 0.00 N ATOM 805 CA ASP A 55 -0.981 -11.924 -5.267 1.00 0.00 C ATOM 806 C ASP A 55 -1.960 -11.765 -4.108 1.00 0.00 C ATOM 807 O ASP A 55 -2.671 -12.703 -3.748 1.00 0.00 O ATOM 808 CB ASP A 55 0.163 -12.853 -4.859 1.00 0.00 C ATOM 809 CG ASP A 55 0.529 -12.713 -3.395 1.00 0.00 C ATOM 810 OD1 ASP A 55 1.284 -11.776 -3.059 1.00 0.00 O ATOM 811 OD2 ASP A 55 0.063 -13.541 -2.585 1.00 0.00 O ATOM 0 H ASP A 55 -0.039 -10.080 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.512 -12.364 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.121 -13.885 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.038 -12.637 -5.471 1.00 0.00 H new ATOM 816 N GLY A 56 -1.992 -10.570 -3.526 1.00 0.00 N ATOM 817 CA GLY A 56 -2.886 -10.310 -2.413 1.00 0.00 C ATOM 818 C GLY A 56 -2.338 -10.823 -1.096 1.00 0.00 C ATOM 819 O GLY A 56 -2.995 -11.600 -0.402 1.00 0.00 O ATOM 0 H GLY A 56 -1.414 -9.777 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.063 -9.237 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.850 -10.779 -2.609 1.00 0.00 H new ATOM 823 N THR A 57 -1.130 -10.391 -0.751 1.00 0.00 N ATOM 824 CA THR A 57 -0.491 -10.815 0.489 1.00 0.00 C ATOM 825 C THR A 57 -0.593 -9.732 1.556 1.00 0.00 C ATOM 826 O THR A 57 -0.187 -8.591 1.338 1.00 0.00 O ATOM 827 CB THR A 57 0.993 -11.164 0.267 1.00 0.00 C ATOM 828 OG1 THR A 57 1.107 -12.262 -0.646 1.00 0.00 O ATOM 829 CG2 THR A 57 1.668 -11.519 1.582 1.00 0.00 C ATOM 0 H THR A 57 -0.573 -9.747 -1.313 1.00 0.00 H new ATOM 0 HA THR A 57 -1.018 -11.707 0.828 1.00 0.00 H new ATOM 0 HB THR A 57 1.490 -10.290 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.662 -11.997 -1.409 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.715 -11.762 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.605 -10.671 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.168 -12.380 2.027 1.00 0.00 H new ATOM 837 N VAL A 58 -1.136 -10.098 2.714 1.00 0.00 N ATOM 838 CA VAL A 58 -1.288 -9.157 3.818 1.00 0.00 C ATOM 839 C VAL A 58 0.067 -8.699 4.341 1.00 0.00 C ATOM 840 O VAL A 58 0.829 -9.489 4.898 1.00 0.00 O ATOM 841 CB VAL A 58 -2.091 -9.777 4.976 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.166 -8.814 6.150 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.485 -10.170 4.508 1.00 0.00 C ATOM 0 H VAL A 58 -1.478 -11.039 2.911 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.832 -8.297 3.428 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.577 -10.679 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.737 -9.270 6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.159 -8.588 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.656 -7.893 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.038 -10.607 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.010 -9.286 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.406 -10.900 3.702 1.00 0.00 H new ATOM 853 N VAL A 59 0.363 -7.416 4.159 1.00 0.00 N ATOM 854 CA VAL A 59 1.628 -6.851 4.615 1.00 0.00 C ATOM 855 C VAL A 59 1.459 -6.128 5.947 1.00 0.00 C ATOM 856 O VAL A 59 1.067 -4.962 5.987 1.00 0.00 O ATOM 857 CB VAL A 59 2.209 -5.868 3.580 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.598 -5.411 3.999 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.243 -6.507 2.200 1.00 0.00 C ATOM 0 H VAL A 59 -0.256 -6.748 3.699 1.00 0.00 H new ATOM 0 HA VAL A 59 2.319 -7.684 4.742 1.00 0.00 H new ATOM 0 HB VAL A 59 1.563 -4.991 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.992 -4.718 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.541 -4.912 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.258 -6.275 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.656 -5.799 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.866 -7.401 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.231 -6.780 1.900 1.00 0.00 H new ATOM 869 N ASP A 60 1.758 -6.829 7.035 1.00 0.00 N ATOM 870 CA ASP A 60 1.641 -6.254 8.370 1.00 0.00 C ATOM 871 C ASP A 60 3.017 -6.038 8.992 1.00 0.00 C ATOM 872 O ASP A 60 3.134 -5.536 10.111 1.00 0.00 O ATOM 873 CB ASP A 60 0.798 -7.162 9.267 1.00 0.00 C ATOM 874 CG ASP A 60 1.395 -8.548 9.411 1.00 0.00 C ATOM 875 OD1 ASP A 60 1.214 -9.371 8.489 1.00 0.00 O ATOM 876 OD2 ASP A 60 2.044 -8.810 10.445 1.00 0.00 O ATOM 0 H ASP A 60 2.083 -7.796 7.019 1.00 0.00 H new ATOM 0 HA ASP A 60 1.148 -5.286 8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.702 -6.707 10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.208 -7.244 8.854 1.00 0.00 H new ATOM 881 N THR A 61 4.058 -6.421 8.259 1.00 0.00 N ATOM 882 CA THR A 61 5.426 -6.273 8.739 1.00 0.00 C ATOM 883 C THR A 61 6.145 -5.145 8.007 1.00 0.00 C ATOM 884 O THR A 61 5.783 -4.791 6.887 1.00 0.00 O ATOM 885 CB THR A 61 6.228 -7.577 8.564 1.00 0.00 C ATOM 886 OG1 THR A 61 5.988 -8.129 7.265 1.00 0.00 O ATOM 887 CG2 THR A 61 5.847 -8.593 9.631 1.00 0.00 C ATOM 0 H THR A 61 3.979 -6.836 7.331 1.00 0.00 H new ATOM 0 HA THR A 61 5.365 -6.034 9.801 1.00 0.00 H new ATOM 0 HB THR A 61 7.288 -7.343 8.669 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.503 -8.957 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.426 -9.506 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.058 -8.181 10.618 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.784 -8.821 9.553 1.00 0.00 H new ATOM 895 N GLU A 62 7.168 -4.587 8.649 1.00 0.00 N ATOM 896 CA GLU A 62 7.937 -3.498 8.058 1.00 0.00 C ATOM 897 C GLU A 62 9.097 -4.042 7.227 1.00 0.00 C ATOM 898 O GLU A 62 9.599 -3.366 6.330 1.00 0.00 O ATOM 899 CB GLU A 62 8.469 -2.569 9.150 1.00 0.00 C ATOM 900 CG GLU A 62 9.488 -1.560 8.648 1.00 0.00 C ATOM 901 CD GLU A 62 9.816 -0.498 9.678 1.00 0.00 C ATOM 902 OE1 GLU A 62 9.105 0.529 9.720 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.783 -0.694 10.445 1.00 0.00 O ATOM 0 H GLU A 62 7.482 -4.871 9.577 1.00 0.00 H new ATOM 0 HA GLU A 62 7.275 -2.933 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.632 -2.035 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.923 -3.170 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.402 -2.082 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.105 -1.081 7.747 1.00 0.00 H new ATOM 910 N GLU A 63 9.516 -5.265 7.536 1.00 0.00 N ATOM 911 CA GLU A 63 10.616 -5.897 6.818 1.00 0.00 C ATOM 912 C GLU A 63 10.198 -6.273 5.400 1.00 0.00 C ATOM 913 O GLU A 63 10.970 -6.122 4.453 1.00 0.00 O ATOM 914 CB GLU A 63 11.093 -7.143 7.568 1.00 0.00 C ATOM 915 CG GLU A 63 10.053 -8.249 7.635 1.00 0.00 C ATOM 916 CD GLU A 63 10.618 -9.549 8.174 1.00 0.00 C ATOM 917 OE1 GLU A 63 11.323 -10.248 7.416 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.353 -9.868 9.351 1.00 0.00 O ATOM 0 H GLU A 63 9.111 -5.837 8.277 1.00 0.00 H new ATOM 0 HA GLU A 63 11.435 -5.181 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.990 -7.528 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.376 -6.860 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.226 -7.927 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.645 -8.420 6.639 1.00 0.00 H new ATOM 925 N PHE A 64 8.971 -6.764 5.263 1.00 0.00 N ATOM 926 CA PHE A 64 8.449 -7.162 3.961 1.00 0.00 C ATOM 927 C PHE A 64 8.071 -5.941 3.128 1.00 0.00 C ATOM 928 O PHE A 64 8.162 -5.959 1.901 1.00 0.00 O ATOM 929 CB PHE A 64 7.231 -8.073 4.132 1.00 0.00 C ATOM 930 CG PHE A 64 6.720 -8.642 2.840 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.583 -9.260 1.949 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.375 -8.557 2.514 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.116 -9.784 0.759 1.00 0.00 C ATOM 934 CE2 PHE A 64 4.902 -9.080 1.325 1.00 0.00 C ATOM 935 CZ PHE A 64 5.774 -9.692 0.446 1.00 0.00 C ATOM 0 H PHE A 64 8.320 -6.896 6.037 1.00 0.00 H new ATOM 0 HA PHE A 64 9.233 -7.709 3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.492 -8.892 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.431 -7.510 4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.634 -9.333 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.689 -8.077 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.799 -10.265 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.852 -9.010 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.407 -10.098 -0.485 1.00 0.00 H new ATOM 945 N PHE A 65 7.645 -4.880 3.806 1.00 0.00 N ATOM 946 CA PHE A 65 7.251 -3.649 3.130 1.00 0.00 C ATOM 947 C PHE A 65 8.476 -2.841 2.712 1.00 0.00 C ATOM 948 O PHE A 65 8.459 -2.151 1.694 1.00 0.00 O ATOM 949 CB PHE A 65 6.357 -2.806 4.042 1.00 0.00 C ATOM 950 CG PHE A 65 6.316 -1.353 3.665 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.414 -0.536 3.885 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.183 -0.803 3.088 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.380 0.802 3.540 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.143 0.534 2.740 1.00 0.00 C ATOM 955 CZ PHE A 65 6.243 1.337 2.966 1.00 0.00 C ATOM 0 H PHE A 65 7.564 -4.848 4.822 1.00 0.00 H new ATOM 0 HA PHE A 65 6.693 -3.919 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.344 -3.208 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.711 -2.897 5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.306 -0.950 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.320 -1.427 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.241 1.429 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.253 0.950 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.215 2.382 2.694 1.00 0.00 H new ATOM 965 N GLN A 66 9.537 -2.935 3.507 1.00 0.00 N ATOM 966 CA GLN A 66 10.771 -2.211 3.221 1.00 0.00 C ATOM 967 C GLN A 66 11.474 -2.796 2.000 1.00 0.00 C ATOM 968 O GLN A 66 12.270 -2.122 1.347 1.00 0.00 O ATOM 969 CB GLN A 66 11.705 -2.256 4.432 1.00 0.00 C ATOM 970 CG GLN A 66 11.240 -1.389 5.591 1.00 0.00 C ATOM 971 CD GLN A 66 11.761 0.032 5.504 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.971 0.262 5.509 1.00 0.00 O ATOM 973 NE2 GLN A 66 10.849 0.994 5.423 1.00 0.00 N ATOM 0 H GLN A 66 9.567 -3.504 4.353 1.00 0.00 H new ATOM 0 HA GLN A 66 10.514 -1.174 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.794 -3.287 4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.700 -1.935 4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.150 -1.372 5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.570 -1.836 6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.857 0.757 5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.141 1.969 5.362 1.00 0.00 H new ATOM 982 N THR A 67 11.174 -4.055 1.697 1.00 0.00 N ATOM 983 CA THR A 67 11.778 -4.731 0.557 1.00 0.00 C ATOM 984 C THR A 67 11.071 -4.357 -0.742 1.00 0.00 C ATOM 985 O THR A 67 11.706 -4.213 -1.787 1.00 0.00 O ATOM 986 CB THR A 67 11.740 -6.262 0.725 1.00 0.00 C ATOM 987 OG1 THR A 67 10.385 -6.707 0.852 1.00 0.00 O ATOM 988 CG2 THR A 67 12.537 -6.691 1.947 1.00 0.00 C ATOM 0 H THR A 67 10.516 -4.627 2.226 1.00 0.00 H new ATOM 0 HA THR A 67 12.817 -4.404 0.511 1.00 0.00 H new ATOM 0 HB THR A 67 12.189 -6.715 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.841 -5.991 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.496 -7.776 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.574 -6.376 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.113 -6.229 2.839 1.00 0.00 H new ATOM 996 N LEU A 68 9.754 -4.199 -0.668 1.00 0.00 N ATOM 997 CA LEU A 68 8.960 -3.839 -1.838 1.00 0.00 C ATOM 998 C LEU A 68 9.595 -2.674 -2.591 1.00 0.00 C ATOM 999 O LEU A 68 9.905 -1.638 -2.004 1.00 0.00 O ATOM 1000 CB LEU A 68 7.535 -3.474 -1.419 1.00 0.00 C ATOM 1001 CG LEU A 68 6.776 -4.537 -0.624 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.361 -4.069 -0.322 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.753 -5.856 -1.383 1.00 0.00 C ATOM 0 H LEU A 68 9.213 -4.314 0.189 1.00 0.00 H new ATOM 0 HA LEU A 68 8.927 -4.702 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.575 -2.563 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.962 -3.242 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 68 7.294 -4.694 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.836 -4.839 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.399 -3.150 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.832 -3.882 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.209 -6.601 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.259 -5.714 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.774 -6.199 -1.547 1.00 0.00 H new ATOM 1015 N GLY A 69 9.785 -2.852 -3.895 1.00 0.00 N ATOM 1016 CA GLY A 69 10.380 -1.806 -4.706 1.00 0.00 C ATOM 1017 C GLY A 69 9.588 -0.515 -4.662 1.00 0.00 C ATOM 1018 O GLY A 69 8.797 -0.295 -3.743 1.00 0.00 O ATOM 0 H GLY A 69 9.538 -3.701 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.396 -1.617 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.453 -2.148 -5.738 1.00 0.00 H new ATOM 1022 N ASP A 70 9.801 0.343 -5.653 1.00 0.00 N ATOM 1023 CA ASP A 70 9.100 1.620 -5.722 1.00 0.00 C ATOM 1024 C ASP A 70 7.785 1.478 -6.483 1.00 0.00 C ATOM 1025 O ASP A 70 7.544 0.467 -7.141 1.00 0.00 O ATOM 1026 CB ASP A 70 9.982 2.673 -6.396 1.00 0.00 C ATOM 1027 CG ASP A 70 10.843 3.428 -5.403 1.00 0.00 C ATOM 1028 OD1 ASP A 70 10.483 3.459 -4.208 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.878 3.987 -5.822 1.00 0.00 O ATOM 0 H ASP A 70 10.453 0.178 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 70 8.877 1.940 -4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.622 2.189 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.351 3.379 -6.936 1.00 0.00 H new ATOM 1034 N ASN A 71 6.938 2.498 -6.385 1.00 0.00 N ATOM 1035 CA ASN A 71 5.646 2.485 -7.063 1.00 0.00 C ATOM 1036 C ASN A 71 4.987 1.114 -6.950 1.00 0.00 C ATOM 1037 O ASN A 71 4.370 0.630 -7.899 1.00 0.00 O ATOM 1038 CB ASN A 71 5.815 2.864 -8.535 1.00 0.00 C ATOM 1039 CG ASN A 71 7.111 2.337 -9.123 1.00 0.00 C ATOM 1040 OD1 ASN A 71 7.221 1.154 -9.447 1.00 0.00 O ATOM 1041 ND2 ASN A 71 8.098 3.214 -9.260 1.00 0.00 N ATOM 0 H ASN A 71 7.122 3.343 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 71 5.002 3.219 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.974 2.472 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.789 3.949 -8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.994 2.917 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.961 4.184 -8.978 1.00 0.00 H new ATOM 1048 N THR A 72 5.120 0.493 -5.783 1.00 0.00 N ATOM 1049 CA THR A 72 4.538 -0.822 -5.547 1.00 0.00 C ATOM 1050 C THR A 72 3.018 -0.744 -5.465 1.00 0.00 C ATOM 1051 O THR A 72 2.467 0.012 -4.666 1.00 0.00 O ATOM 1052 CB THR A 72 5.078 -1.450 -4.247 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.507 -1.527 -4.297 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.497 -2.839 -4.035 1.00 0.00 C ATOM 0 H THR A 72 5.626 0.880 -4.986 1.00 0.00 H new ATOM 0 HA THR A 72 4.822 -1.449 -6.392 1.00 0.00 H new ATOM 0 HB THR A 72 4.778 -0.817 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.892 -0.709 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.893 -3.262 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.411 -2.773 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.770 -3.480 -4.874 1.00 0.00 H new ATOM 1062 N HIS A 73 2.344 -1.530 -6.299 1.00 0.00 N ATOM 1063 CA HIS A 73 0.886 -1.551 -6.322 1.00 0.00 C ATOM 1064 C HIS A 73 0.335 -2.291 -5.107 1.00 0.00 C ATOM 1065 O HIS A 73 0.687 -3.444 -4.857 1.00 0.00 O ATOM 1066 CB HIS A 73 0.384 -2.210 -7.606 1.00 0.00 C ATOM 1067 CG HIS A 73 0.317 -1.274 -8.773 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -0.371 -0.121 -8.946 1.00 0.00 N flip ATOM 1069 CD2 HIS A 73 1.015 -1.481 -9.945 1.00 0.00 C flip ATOM 1070 CE1 HIS A 73 -0.079 0.343 -10.205 1.00 0.00 C flip ATOM 1071 NE2 HIS A 73 0.759 -0.496 -10.786 1.00 0.00 N flip ATOM 0 H HIS A 73 2.785 -2.161 -6.968 1.00 0.00 H new ATOM 0 HA HIS A 73 0.532 -0.521 -6.290 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.040 -3.044 -7.857 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.607 -2.626 -7.427 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.668 -2.318 -10.143 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.471 1.247 -10.648 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.144 -0.399 -11.726 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.530 -1.619 -4.353 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.129 -2.213 -3.164 1.00 0.00 C ATOM 1082 C PHE A 74 -2.645 -2.302 -3.304 1.00 0.00 C ATOM 1083 O PHE A 74 -3.236 -1.667 -4.177 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.768 -1.394 -1.923 1.00 0.00 C ATOM 1085 CG PHE A 74 0.688 -1.465 -1.560 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.227 -2.625 -1.027 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.517 -0.371 -1.752 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.566 -2.692 -0.693 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.857 -0.433 -1.419 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.383 -1.595 -0.889 1.00 0.00 C ATOM 0 H PHE A 74 -0.831 -0.664 -4.545 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.733 -3.222 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.041 -0.353 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.362 -1.746 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.594 -3.486 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.111 0.540 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.974 -3.602 -0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.492 0.427 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.430 -1.646 -0.629 1.00 0.00 H new ATOM 1100 N MET A 75 -3.269 -3.097 -2.440 1.00 0.00 N ATOM 1101 CA MET A 75 -4.716 -3.269 -2.467 1.00 0.00 C ATOM 1102 C MET A 75 -5.304 -3.154 -1.064 1.00 0.00 C ATOM 1103 O MET A 75 -4.920 -3.896 -0.159 1.00 0.00 O ATOM 1104 CB MET A 75 -5.077 -4.625 -3.075 1.00 0.00 C ATOM 1105 CG MET A 75 -6.471 -5.106 -2.703 1.00 0.00 C ATOM 1106 SD MET A 75 -7.770 -4.025 -3.330 1.00 0.00 S ATOM 1107 CE MET A 75 -7.885 -4.584 -5.028 1.00 0.00 C ATOM 0 H MET A 75 -2.794 -3.632 -1.713 1.00 0.00 H new ATOM 0 HA MET A 75 -5.140 -2.477 -3.084 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.002 -4.559 -4.160 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.347 -5.366 -2.749 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.620 -6.112 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.551 -5.172 -1.618 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.933 -4.648 -5.320 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.370 -3.878 -5.679 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.422 -5.567 -5.120 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.234 -2.222 -0.892 1.00 0.00 N ATOM 1118 CA ILE A 76 -6.875 -2.013 0.401 1.00 0.00 C ATOM 1119 C ILE A 76 -8.234 -2.699 0.459 1.00 0.00 C ATOM 1120 O ILE A 76 -9.026 -2.613 -0.481 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.056 -0.513 0.702 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.560 -0.315 2.133 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.018 0.115 -0.295 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.450 -0.205 3.155 1.00 0.00 C ATOM 0 H ILE A 76 -6.561 -1.599 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.219 -2.451 1.153 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.089 -0.019 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.170 0.587 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.208 -1.150 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.136 1.175 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.622 0.001 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.987 -0.380 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.881 -0.066 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.853 -1.117 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.815 0.647 2.913 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.501 -3.379 1.568 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.767 -4.080 1.750 1.00 0.00 C ATOM 1138 C LEU A 77 -10.423 -3.686 3.070 1.00 0.00 C ATOM 1139 O LEU A 77 -9.772 -3.660 4.113 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.546 -5.593 1.711 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.840 -6.136 0.467 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.499 -7.607 0.645 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.704 -5.933 -0.769 1.00 0.00 C ATOM 0 H LEU A 77 -7.857 -3.460 2.355 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.432 -3.794 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.965 -5.878 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.515 -6.084 1.798 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.911 -5.583 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.998 -7.975 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.840 -7.726 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.415 -8.176 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.185 -6.325 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.650 -6.459 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.896 -4.869 -0.908 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.716 -3.382 3.015 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.459 -2.991 4.206 1.00 0.00 C ATOM 1157 C GLU A 78 -12.890 -4.217 5.006 1.00 0.00 C ATOM 1158 O GLU A 78 -12.673 -5.353 4.587 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.687 -2.163 3.819 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.346 -0.861 3.116 1.00 0.00 C ATOM 1161 CD GLU A 78 -12.900 -1.072 1.682 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -11.696 -1.324 1.465 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -13.756 -0.986 0.776 1.00 0.00 O ATOM 0 H GLU A 78 -12.270 -3.399 2.159 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.802 -2.385 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.327 -2.760 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.263 -1.941 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.217 -0.206 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.556 -0.351 3.667 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.502 -3.977 6.161 1.00 0.00 N ATOM 1171 CA LYS A 79 -13.966 -5.060 7.021 1.00 0.00 C ATOM 1172 C LYS A 79 -15.035 -5.892 6.321 1.00 0.00 C ATOM 1173 O LYS A 79 -16.230 -5.688 6.532 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.519 -4.497 8.332 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.153 -5.548 9.226 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.025 -4.916 10.297 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.187 -4.311 11.414 1.00 0.00 C ATOM 1178 NZ LYS A 79 -14.462 -5.354 12.190 1.00 0.00 N ATOM 0 H LYS A 79 -13.688 -3.042 6.523 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.115 -5.705 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.711 -4.008 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.260 -3.731 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.753 -6.228 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.372 -6.145 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.649 -4.143 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.697 -5.668 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.469 -3.609 10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.831 -3.742 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.187 -4.969 13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.082 -6.178 12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.610 -5.645 11.669 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.598 -6.830 5.487 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.531 -7.679 4.769 1.00 0.00 C ATOM 1194 C GLY A 80 -15.248 -7.723 3.281 1.00 0.00 C ATOM 1195 O GLY A 80 -16.170 -7.684 2.467 1.00 0.00 O ATOM 0 H GLY A 80 -13.614 -7.017 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.484 -8.690 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.546 -7.317 4.932 1.00 0.00 H new ATOM 1199 N GLN A 81 -13.970 -7.804 2.925 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.569 -7.851 1.524 1.00 0.00 C ATOM 1201 C GLN A 81 -12.301 -8.680 1.348 1.00 0.00 C ATOM 1202 O GLN A 81 -11.544 -8.886 2.298 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.347 -6.436 0.988 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.635 -5.662 0.757 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.518 -4.656 -0.370 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.162 -4.794 -1.411 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -13.694 -3.634 -0.168 1.00 0.00 N ATOM 0 H GLN A 81 -13.195 -7.838 3.587 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.371 -8.324 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.723 -5.884 1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.795 -6.495 0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.439 -6.362 0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.912 -5.143 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.180 -3.559 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.575 -2.924 -0.891 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.074 -9.152 0.128 1.00 0.00 N ATOM 1217 CA LYS A 82 -10.897 -9.958 -0.174 1.00 0.00 C ATOM 1218 C LYS A 82 -10.214 -9.469 -1.448 1.00 0.00 C ATOM 1219 O LYS A 82 -10.801 -8.719 -2.228 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.287 -11.430 -0.326 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.327 -11.677 -1.405 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.936 -13.064 -1.287 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.945 -13.326 -2.394 1.00 0.00 C ATOM 1224 NZ LYS A 82 -14.872 -14.439 -2.047 1.00 0.00 N ATOM 0 H LYS A 82 -12.690 -8.990 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.196 -9.857 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.394 -12.012 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.671 -11.795 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.114 -10.926 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.868 -11.563 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.146 -13.814 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.423 -13.167 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.520 -12.420 -2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.417 -13.567 -3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.544 -14.587 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.326 -15.310 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.394 -14.198 -1.180 1.00 0.00 H new ATOM 1238 N TRP A 83 -8.975 -9.899 -1.652 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.214 -9.504 -2.831 1.00 0.00 C ATOM 1240 C TRP A 83 -8.634 -10.321 -4.049 1.00 0.00 C ATOM 1241 O TRP A 83 -8.984 -11.495 -3.929 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.715 -9.678 -2.579 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.894 -9.649 -3.833 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.135 -8.611 -4.292 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.751 -10.707 -4.788 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.530 -8.958 -5.475 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.891 -10.239 -5.800 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.264 -12.002 -4.885 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.535 -11.022 -6.896 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.911 -12.779 -5.972 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.052 -12.287 -6.966 1.00 0.00 C ATOM 0 H TRP A 83 -8.476 -10.521 -1.016 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.422 -8.453 -3.031 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.372 -8.888 -1.911 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.548 -10.625 -2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.026 -7.657 -3.797 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.912 -8.359 -6.023 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.925 -12.390 -4.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.875 -10.644 -7.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.303 -13.782 -6.058 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.794 -12.919 -7.803 1.00 0.00 H new ATOM 1262 N MET A 84 -8.599 -9.692 -5.219 1.00 0.00 N ATOM 1263 CA MET A 84 -8.976 -10.363 -6.458 1.00 0.00 C ATOM 1264 C MET A 84 -7.970 -10.062 -7.566 1.00 0.00 C ATOM 1265 O MET A 84 -7.433 -8.959 -7.667 1.00 0.00 O ATOM 1266 CB MET A 84 -10.376 -9.928 -6.893 1.00 0.00 C ATOM 1267 CG MET A 84 -11.457 -10.259 -5.877 1.00 0.00 C ATOM 1268 SD MET A 84 -13.093 -10.397 -6.622 1.00 0.00 S ATOM 1269 CE MET A 84 -12.931 -11.944 -7.509 1.00 0.00 C ATOM 0 H MET A 84 -8.314 -8.720 -5.335 1.00 0.00 H new ATOM 0 HA MET A 84 -8.978 -11.437 -6.274 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.374 -8.853 -7.073 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.619 -10.409 -7.840 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.208 -11.197 -5.380 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.476 -9.486 -5.108 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.920 -12.365 -7.689 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.433 -11.766 -8.462 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.341 -12.643 -6.916 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.710 -11.066 -8.417 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.769 -10.932 -9.533 1.00 0.00 C ATOM 1281 C PRO A 85 -7.293 -10.009 -10.627 1.00 0.00 C ATOM 1282 O PRO A 85 -8.384 -9.449 -10.510 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.636 -12.363 -10.059 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.908 -13.032 -9.663 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.314 -12.407 -8.357 1.00 0.00 C ATOM 0 HA PRO A 85 -5.824 -10.490 -9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.502 -12.376 -11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.772 -12.866 -9.624 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.678 -12.887 -10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.766 -14.107 -9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.398 -12.355 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.942 -12.977 -7.506 1.00 0.00 H new ATOM 1293 N SER A 86 -6.511 -9.855 -11.691 1.00 0.00 N ATOM 1294 CA SER A 86 -6.897 -8.997 -12.806 1.00 0.00 C ATOM 1295 C SER A 86 -7.837 -9.731 -13.757 1.00 0.00 C ATOM 1296 O SER A 86 -7.513 -10.805 -14.262 1.00 0.00 O ATOM 1297 CB SER A 86 -5.656 -8.521 -13.563 1.00 0.00 C ATOM 1298 OG SER A 86 -6.009 -7.952 -14.812 1.00 0.00 O ATOM 0 H SER A 86 -5.607 -10.313 -11.805 1.00 0.00 H new ATOM 0 HA SER A 86 -7.422 -8.131 -12.402 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.120 -7.786 -12.963 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.978 -9.360 -13.720 1.00 0.00 H new ATOM 0 HG SER A 86 -5.199 -7.654 -15.276 1.00 0.00 H new ATOM 1304 N GLY A 87 -9.006 -9.142 -13.997 1.00 0.00 N ATOM 1305 CA GLY A 87 -9.976 -9.754 -14.886 1.00 0.00 C ATOM 1306 C GLY A 87 -11.378 -9.223 -14.667 1.00 0.00 C ATOM 1307 O GLY A 87 -11.575 -8.130 -14.133 1.00 0.00 O ATOM 0 H GLY A 87 -9.298 -8.253 -13.592 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.680 -9.575 -15.920 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.972 -10.834 -14.735 1.00 0.00 H new ATOM 1311 N PRO A 88 -12.383 -10.006 -15.085 1.00 0.00 N ATOM 1312 CA PRO A 88 -13.793 -9.628 -14.943 1.00 0.00 C ATOM 1313 C PRO A 88 -14.254 -9.647 -13.490 1.00 0.00 C ATOM 1314 O PRO A 88 -13.688 -10.354 -12.658 1.00 0.00 O ATOM 1315 CB PRO A 88 -14.530 -10.699 -15.751 1.00 0.00 C ATOM 1316 CG PRO A 88 -13.619 -11.878 -15.739 1.00 0.00 C ATOM 1317 CD PRO A 88 -12.222 -11.321 -15.729 1.00 0.00 C ATOM 0 HA PRO A 88 -13.979 -8.611 -15.287 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -15.494 -10.939 -15.303 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.727 -10.361 -16.769 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.797 -12.500 -14.862 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.782 -12.507 -16.614 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.538 -11.961 -15.171 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.819 -11.228 -16.738 1.00 0.00 H new ATOM 1325 N SER A 89 -15.286 -8.863 -13.191 1.00 0.00 N ATOM 1326 CA SER A 89 -15.821 -8.787 -11.837 1.00 0.00 C ATOM 1327 C SER A 89 -17.301 -8.417 -11.858 1.00 0.00 C ATOM 1328 O SER A 89 -17.793 -7.834 -12.824 1.00 0.00 O ATOM 1329 CB SER A 89 -15.040 -7.761 -11.015 1.00 0.00 C ATOM 1330 OG SER A 89 -13.648 -8.020 -11.065 1.00 0.00 O ATOM 0 H SER A 89 -15.768 -8.272 -13.869 1.00 0.00 H new ATOM 0 HA SER A 89 -15.716 -9.769 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.240 -6.759 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.380 -7.785 -9.980 1.00 0.00 H new ATOM 0 HG SER A 89 -13.171 -7.349 -10.533 1.00 0.00 H new ATOM 1336 N SER A 90 -18.006 -8.763 -10.785 1.00 0.00 N ATOM 1337 CA SER A 90 -19.431 -8.472 -10.681 1.00 0.00 C ATOM 1338 C SER A 90 -19.663 -6.993 -10.384 1.00 0.00 C ATOM 1339 O SER A 90 -19.405 -6.523 -9.277 1.00 0.00 O ATOM 1340 CB SER A 90 -20.069 -9.330 -9.586 1.00 0.00 C ATOM 1341 OG SER A 90 -21.454 -9.052 -9.463 1.00 0.00 O ATOM 0 H SER A 90 -17.614 -9.245 -9.976 1.00 0.00 H new ATOM 0 HA SER A 90 -19.897 -8.710 -11.637 1.00 0.00 H new ATOM 0 HB2 SER A 90 -19.926 -10.386 -9.817 1.00 0.00 H new ATOM 0 HB3 SER A 90 -19.571 -9.141 -8.635 1.00 0.00 H new ATOM 0 HG SER A 90 -21.839 -9.614 -8.758 1.00 0.00 H new ATOM 1347 N GLY A 91 -20.154 -6.266 -11.383 1.00 0.00 N ATOM 1348 CA GLY A 91 -20.413 -4.848 -11.210 1.00 0.00 C ATOM 1349 C GLY A 91 -21.197 -4.258 -12.366 1.00 0.00 C ATOM 1350 O GLY A 91 -22.428 -4.266 -12.358 1.00 0.00 O ATOM 0 H GLY A 91 -20.377 -6.633 -12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.965 -4.693 -10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -19.466 -4.318 -11.109 1.00 0.00 H new TER 1354 GLY A 91