USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 970 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 48 THR OG1 : rot 3:sc= 0.334 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0 X(o=0.33,f=0.24) USER MOD Set 2.1: A 1 GLY N :NH3+ -165:sc= 0.77 (180deg=0) USER MOD Set 2.2: A 2 SER OG : rot 180:sc= 0.69 USER MOD Single : A 4 THR OG1 : rot 45:sc= 0.8 USER MOD Single : A 11 SER OG : rot -170:sc= 1.28 USER MOD Single : A 15 ASN : amide:sc= -1.02 K(o=-1,f=-0.35) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 85:sc= 1.02 USER MOD Single : A 24 ASN : amide:sc= 0.564 K(o=0.56,f=-3.7!) USER MOD Single : A 37 THR OG1 : rot 77:sc= 0.39 USER MOD Single : A 46 HIS : no HD1:sc= -0.393 K(o=-0.39,f=-3.3!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 0.445 (180deg=-1.76!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 173:sc= -0.346 (180deg=-0.503) USER MOD Single : A 61 MET CE :methyl -168:sc= 0 (180deg=-0.3) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.294 (180deg=0.0154!) USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 1.2 (180deg=1.14) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -167:sc= -1.78 (180deg=-2.12) USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 2.24 (180deg=2.21) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.621 (180deg=-1.44!) USER MOD Single : A 109 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.356) USER MOD Single : A 112 LYS NZ :NH3+ -155:sc= 0.366! (180deg=-0.395!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.881 -6.230 -13.892 1.00 13.51 N ATOM 2 CA GLY A 1 14.190 -5.648 -13.548 1.00 12.64 C ATOM 3 C GLY A 1 13.881 -4.289 -12.996 1.00 11.97 C ATOM 4 O GLY A 1 13.363 -3.480 -13.749 1.00 12.99 O ATOM 0 H1 GLY A 1 12.985 -7.254 -14.041 1.00 13.51 H new ATOM 0 H2 GLY A 1 12.210 -6.060 -13.116 1.00 13.51 H new ATOM 0 H3 GLY A 1 12.522 -5.788 -14.762 1.00 13.51 H new ATOM 0 HA2 GLY A 1 14.714 -6.261 -12.815 1.00 12.64 H new ATOM 0 HA3 GLY A 1 14.834 -5.580 -14.425 1.00 12.64 H new ATOM 10 N SER A 2 14.002 -4.144 -11.684 1.00 10.65 N ATOM 11 CA SER A 2 12.955 -3.566 -10.816 1.00 10.19 C ATOM 12 C SER A 2 13.265 -4.054 -9.391 1.00 8.46 C ATOM 13 O SER A 2 13.767 -5.173 -9.245 1.00 8.32 O ATOM 14 CB SER A 2 11.546 -4.033 -11.250 1.00 11.42 C ATOM 15 OG SER A 2 11.490 -5.451 -11.454 1.00 12.30 O ATOM 0 H SER A 2 14.839 -4.425 -11.173 1.00 10.65 H new ATOM 0 HA SER A 2 12.956 -2.478 -10.879 1.00 10.19 H new ATOM 0 HB2 SER A 2 10.819 -3.747 -10.490 1.00 11.42 H new ATOM 0 HB3 SER A 2 11.262 -3.523 -12.170 1.00 11.42 H new ATOM 0 HG SER A 2 10.584 -5.707 -11.725 1.00 12.30 H new ATOM 21 N PHE A 3 13.009 -3.248 -8.361 1.00 7.62 N ATOM 22 CA PHE A 3 13.548 -3.403 -7.005 1.00 6.28 C ATOM 23 C PHE A 3 12.507 -3.014 -5.937 1.00 5.41 C ATOM 24 O PHE A 3 12.797 -2.264 -5.001 1.00 5.45 O ATOM 25 CB PHE A 3 14.856 -2.594 -6.897 1.00 6.78 C ATOM 26 CG PHE A 3 15.930 -2.999 -7.894 1.00 7.70 C ATOM 27 CD1 PHE A 3 16.710 -4.148 -7.660 1.00 7.91 C ATOM 28 CD2 PHE A 3 16.131 -2.252 -9.071 1.00 8.75 C ATOM 29 CE1 PHE A 3 17.687 -4.543 -8.592 1.00 8.98 C ATOM 30 CE2 PHE A 3 17.106 -2.647 -10.005 1.00 9.77 C ATOM 31 CZ PHE A 3 17.887 -3.791 -9.764 1.00 9.81 C ATOM 0 H PHE A 3 12.397 -2.437 -8.449 1.00 7.62 H new ATOM 0 HA PHE A 3 13.779 -4.451 -6.814 1.00 6.28 H new ATOM 0 HB2 PHE A 3 14.628 -1.537 -7.037 1.00 6.78 H new ATOM 0 HB3 PHE A 3 15.254 -2.703 -5.888 1.00 6.78 H new ATOM 0 HD1 PHE A 3 16.558 -4.728 -6.762 1.00 7.91 H new ATOM 0 HD2 PHE A 3 15.534 -1.372 -9.257 1.00 8.75 H new ATOM 0 HE1 PHE A 3 18.284 -5.424 -8.408 1.00 8.98 H new ATOM 0 HE2 PHE A 3 17.255 -2.072 -10.907 1.00 9.77 H new ATOM 0 HZ PHE A 3 18.640 -4.092 -10.478 1.00 9.81 H new ATOM 41 N THR A 4 11.277 -3.526 -6.084 1.00 5.22 N ATOM 42 CA THR A 4 10.156 -3.262 -5.170 1.00 4.64 C ATOM 43 C THR A 4 10.304 -4.006 -3.842 1.00 3.06 C ATOM 44 O THR A 4 9.801 -5.112 -3.652 1.00 3.49 O ATOM 45 CB THR A 4 8.806 -3.565 -5.813 1.00 5.99 C ATOM 46 OG1 THR A 4 8.731 -4.937 -6.117 1.00 6.87 O ATOM 47 CG2 THR A 4 8.538 -2.770 -7.090 1.00 7.40 C ATOM 0 H THR A 4 11.029 -4.146 -6.855 1.00 5.22 H new ATOM 0 HA THR A 4 10.188 -2.194 -4.954 1.00 4.64 H new ATOM 0 HB THR A 4 8.049 -3.270 -5.086 1.00 5.99 H new ATOM 0 HG1 THR A 4 9.064 -5.459 -5.357 1.00 6.87 H new ATOM 0 HG21 THR A 4 7.560 -3.040 -7.488 1.00 7.40 H new ATOM 0 HG22 THR A 4 8.557 -1.704 -6.865 1.00 7.40 H new ATOM 0 HG23 THR A 4 9.306 -2.999 -7.829 1.00 7.40 H new ATOM 55 N GLU A 5 10.978 -3.358 -2.909 1.00 1.94 N ATOM 56 CA GLU A 5 11.174 -3.804 -1.527 1.00 0.94 C ATOM 57 C GLU A 5 9.921 -3.501 -0.681 1.00 0.83 C ATOM 58 O GLU A 5 9.374 -2.399 -0.754 1.00 1.36 O ATOM 59 CB GLU A 5 12.474 -3.177 -0.970 1.00 2.11 C ATOM 60 CG GLU A 5 12.503 -1.636 -0.973 1.00 3.96 C ATOM 61 CD GLU A 5 13.903 -1.026 -0.859 1.00 5.49 C ATOM 62 OE1 GLU A 5 14.787 -1.660 -0.246 1.00 5.90 O ATOM 63 OE2 GLU A 5 14.065 0.100 -1.394 1.00 6.76 O ATOM 0 H GLU A 5 11.428 -2.462 -3.096 1.00 1.94 H new ATOM 0 HA GLU A 5 11.301 -4.886 -1.486 1.00 0.94 H new ATOM 0 HB2 GLU A 5 12.620 -3.527 0.052 1.00 2.11 H new ATOM 0 HB3 GLU A 5 13.317 -3.543 -1.556 1.00 2.11 H new ATOM 0 HG2 GLU A 5 12.039 -1.278 -1.892 1.00 3.96 H new ATOM 0 HG3 GLU A 5 11.894 -1.272 -0.146 1.00 3.96 H new ATOM 70 N GLY A 6 9.410 -4.472 0.091 1.00 0.98 N ATOM 71 CA GLY A 6 8.203 -4.278 0.902 1.00 1.01 C ATOM 72 C GLY A 6 7.877 -5.433 1.840 1.00 0.95 C ATOM 73 O GLY A 6 8.339 -6.555 1.633 1.00 0.96 O ATOM 0 H GLY A 6 9.818 -5.404 0.169 1.00 0.98 H new ATOM 0 HA2 GLY A 6 8.320 -3.369 1.493 1.00 1.01 H new ATOM 0 HA3 GLY A 6 7.355 -4.118 0.236 1.00 1.01 H new ATOM 77 N TRP A 7 7.028 -5.150 2.834 1.00 1.04 N ATOM 78 CA TRP A 7 6.582 -6.106 3.842 1.00 1.04 C ATOM 79 C TRP A 7 5.139 -5.857 4.297 1.00 1.06 C ATOM 80 O TRP A 7 4.678 -4.723 4.424 1.00 1.19 O ATOM 81 CB TRP A 7 7.525 -6.101 5.059 1.00 1.12 C ATOM 82 CG TRP A 7 7.590 -4.865 5.910 1.00 1.20 C ATOM 83 CD1 TRP A 7 7.016 -4.739 7.127 1.00 1.30 C ATOM 84 CD2 TRP A 7 8.294 -3.605 5.674 1.00 1.28 C ATOM 85 NE1 TRP A 7 7.356 -3.524 7.685 1.00 1.43 N ATOM 86 CE2 TRP A 7 8.110 -2.766 6.814 1.00 1.43 C ATOM 87 CE3 TRP A 7 9.065 -3.080 4.614 1.00 1.30 C ATOM 88 CZ2 TRP A 7 8.634 -1.467 6.888 1.00 1.59 C ATOM 89 CZ3 TRP A 7 9.593 -1.776 4.673 1.00 1.47 C ATOM 90 CH2 TRP A 7 9.376 -0.968 5.804 1.00 1.62 C ATOM 0 H TRP A 7 6.623 -4.222 2.959 1.00 1.04 H new ATOM 0 HA TRP A 7 6.609 -7.087 3.368 1.00 1.04 H new ATOM 0 HB2 TRP A 7 7.239 -6.932 5.703 1.00 1.12 H new ATOM 0 HB3 TRP A 7 8.533 -6.309 4.699 1.00 1.12 H new ATOM 0 HD1 TRP A 7 6.384 -5.480 7.594 1.00 1.30 H new ATOM 0 HE1 TRP A 7 7.085 -3.225 8.622 1.00 1.43 H new ATOM 0 HE3 TRP A 7 9.253 -3.689 3.742 1.00 1.30 H new ATOM 0 HZ2 TRP A 7 8.470 -0.859 7.765 1.00 1.59 H new ATOM 0 HZ3 TRP A 7 10.169 -1.393 3.844 1.00 1.47 H new ATOM 0 HH2 TRP A 7 9.779 0.033 5.839 1.00 1.62 H new ATOM 101 N VAL A 8 4.425 -6.934 4.618 1.00 1.01 N ATOM 102 CA VAL A 8 3.091 -6.885 5.231 1.00 1.05 C ATOM 103 C VAL A 8 3.247 -6.874 6.759 1.00 1.19 C ATOM 104 O VAL A 8 4.135 -7.516 7.311 1.00 1.43 O ATOM 105 CB VAL A 8 2.199 -8.023 4.689 1.00 1.17 C ATOM 106 CG1 VAL A 8 0.805 -8.034 5.338 1.00 1.22 C ATOM 107 CG2 VAL A 8 2.054 -7.882 3.162 1.00 1.16 C ATOM 0 H VAL A 8 4.760 -7.884 4.458 1.00 1.01 H new ATOM 0 HA VAL A 8 2.571 -5.967 4.958 1.00 1.05 H new ATOM 0 HB VAL A 8 2.685 -8.966 4.940 1.00 1.17 H new ATOM 0 HG11 VAL A 8 0.217 -8.852 4.923 1.00 1.22 H new ATOM 0 HG12 VAL A 8 0.906 -8.169 6.415 1.00 1.22 H new ATOM 0 HG13 VAL A 8 0.303 -7.088 5.137 1.00 1.22 H new ATOM 0 HG21 VAL A 8 1.424 -8.686 2.781 1.00 1.16 H new ATOM 0 HG22 VAL A 8 1.597 -6.921 2.927 1.00 1.16 H new ATOM 0 HG23 VAL A 8 3.038 -7.940 2.696 1.00 1.16 H new ATOM 117 N ARG A 9 2.416 -6.094 7.455 1.00 1.10 N ATOM 118 CA ARG A 9 2.637 -5.655 8.844 1.00 1.34 C ATOM 119 C ARG A 9 2.343 -6.731 9.916 1.00 1.77 C ATOM 120 O ARG A 9 2.722 -6.535 11.068 1.00 3.46 O ATOM 121 CB ARG A 9 1.780 -4.385 9.028 1.00 1.16 C ATOM 122 CG ARG A 9 2.301 -3.298 9.983 1.00 1.97 C ATOM 123 CD ARG A 9 1.960 -3.436 11.465 1.00 2.14 C ATOM 124 NE ARG A 9 0.508 -3.483 11.678 1.00 2.36 N ATOM 125 CZ ARG A 9 -0.115 -4.245 12.562 1.00 3.04 C ATOM 126 NH1 ARG A 9 0.522 -4.890 13.516 1.00 3.44 N ATOM 127 NH2 ARG A 9 -1.425 -4.356 12.493 1.00 4.50 N ATOM 0 H ARG A 9 1.545 -5.738 7.061 1.00 1.10 H new ATOM 0 HA ARG A 9 3.697 -5.453 8.999 1.00 1.34 H new ATOM 0 HB2 ARG A 9 1.641 -3.930 8.047 1.00 1.16 H new ATOM 0 HB3 ARG A 9 0.795 -4.694 9.378 1.00 1.16 H new ATOM 0 HG2 ARG A 9 3.386 -3.261 9.890 1.00 1.97 H new ATOM 0 HG3 ARG A 9 1.919 -2.337 9.638 1.00 1.97 H new ATOM 0 HD2 ARG A 9 2.417 -4.342 11.862 1.00 2.14 H new ATOM 0 HD3 ARG A 9 2.383 -2.597 12.017 1.00 2.14 H new ATOM 0 HE ARG A 9 -0.069 -2.877 11.095 1.00 2.36 H new ATOM 0 HH11 ARG A 9 1.536 -4.813 13.595 1.00 3.44 H new ATOM 0 HH12 ARG A 9 0.002 -5.467 14.177 1.00 3.44 H new ATOM 0 HH21 ARG A 9 -1.941 -3.859 11.767 1.00 4.50 H new ATOM 0 HH22 ARG A 9 -1.924 -4.939 13.165 1.00 4.50 H new ATOM 141 N PHE A 10 1.667 -7.821 9.520 1.00 1.14 N ATOM 142 CA PHE A 10 1.086 -8.902 10.337 1.00 1.16 C ATOM 143 C PHE A 10 -0.175 -8.456 11.099 1.00 1.42 C ATOM 144 O PHE A 10 -0.305 -7.313 11.536 1.00 2.16 O ATOM 145 CB PHE A 10 2.127 -9.600 11.242 1.00 1.49 C ATOM 146 CG PHE A 10 1.580 -10.291 12.475 1.00 1.69 C ATOM 147 CD1 PHE A 10 1.028 -11.582 12.387 1.00 1.93 C ATOM 148 CD2 PHE A 10 1.595 -9.620 13.713 1.00 2.72 C ATOM 149 CE1 PHE A 10 0.489 -12.194 13.533 1.00 2.15 C ATOM 150 CE2 PHE A 10 1.069 -10.240 14.859 1.00 2.87 C ATOM 151 CZ PHE A 10 0.518 -11.529 14.769 1.00 2.13 C ATOM 0 H PHE A 10 1.497 -7.984 8.528 1.00 1.14 H new ATOM 0 HA PHE A 10 0.754 -9.666 9.634 1.00 1.16 H new ATOM 0 HB2 PHE A 10 2.662 -10.338 10.644 1.00 1.49 H new ATOM 0 HB3 PHE A 10 2.858 -8.857 11.561 1.00 1.49 H new ATOM 0 HD1 PHE A 10 1.018 -12.102 11.441 1.00 1.93 H new ATOM 0 HD2 PHE A 10 2.012 -8.626 13.782 1.00 2.72 H new ATOM 0 HE1 PHE A 10 0.051 -13.179 13.462 1.00 2.15 H new ATOM 0 HE2 PHE A 10 1.088 -9.726 15.809 1.00 2.87 H new ATOM 0 HZ PHE A 10 0.117 -12.008 15.650 1.00 2.13 H new ATOM 161 N SER A 11 -1.101 -9.398 11.278 1.00 1.23 N ATOM 162 CA SER A 11 -2.241 -9.304 12.190 1.00 1.67 C ATOM 163 C SER A 11 -2.937 -10.668 12.350 1.00 1.67 C ATOM 164 O SER A 11 -3.073 -11.387 11.351 1.00 1.88 O ATOM 165 CB SER A 11 -3.276 -8.300 11.684 1.00 2.41 C ATOM 166 OG SER A 11 -4.235 -8.053 12.691 1.00 3.63 O ATOM 0 H SER A 11 -1.076 -10.283 10.771 1.00 1.23 H new ATOM 0 HA SER A 11 -1.846 -8.973 13.150 1.00 1.67 H new ATOM 0 HB2 SER A 11 -2.785 -7.369 11.401 1.00 2.41 H new ATOM 0 HB3 SER A 11 -3.765 -8.687 10.790 1.00 2.41 H new ATOM 0 HG SER A 11 -4.982 -7.543 12.313 1.00 3.63 H new ATOM 172 N PRO A 12 -3.389 -11.025 13.569 1.00 1.76 N ATOM 173 CA PRO A 12 -4.317 -12.123 13.806 1.00 1.99 C ATOM 174 C PRO A 12 -5.790 -11.668 13.764 1.00 2.29 C ATOM 175 O PRO A 12 -6.677 -12.518 13.727 1.00 3.48 O ATOM 176 CB PRO A 12 -3.946 -12.613 15.208 1.00 2.06 C ATOM 177 CG PRO A 12 -3.602 -11.315 15.940 1.00 2.08 C ATOM 178 CD PRO A 12 -2.988 -10.437 14.845 1.00 1.88 C ATOM 0 HA PRO A 12 -4.237 -12.893 13.039 1.00 1.99 H new ATOM 0 HB2 PRO A 12 -4.773 -13.139 15.685 1.00 2.06 H new ATOM 0 HB3 PRO A 12 -3.101 -13.301 15.186 1.00 2.06 H new ATOM 0 HG2 PRO A 12 -4.488 -10.853 16.375 1.00 2.08 H new ATOM 0 HG3 PRO A 12 -2.900 -11.488 16.756 1.00 2.08 H new ATOM 0 HD2 PRO A 12 -3.342 -9.410 14.927 1.00 1.88 H new ATOM 0 HD3 PRO A 12 -1.902 -10.408 14.935 1.00 1.88 H new ATOM 186 N GLY A 13 -6.054 -10.352 13.796 1.00 1.55 N ATOM 187 CA GLY A 13 -7.394 -9.753 13.816 1.00 1.75 C ATOM 188 C GLY A 13 -7.827 -9.211 12.443 1.00 1.26 C ATOM 189 O GLY A 13 -7.001 -9.124 11.538 1.00 1.31 O ATOM 0 H GLY A 13 -5.312 -9.652 13.809 1.00 1.55 H new ATOM 0 HA2 GLY A 13 -8.115 -10.499 14.151 1.00 1.75 H new ATOM 0 HA3 GLY A 13 -7.413 -8.942 14.544 1.00 1.75 H new ATOM 193 N PRO A 14 -9.107 -8.819 12.277 1.00 1.48 N ATOM 194 CA PRO A 14 -9.724 -8.564 10.972 1.00 1.51 C ATOM 195 C PRO A 14 -9.202 -7.326 10.227 1.00 1.04 C ATOM 196 O PRO A 14 -9.415 -7.239 9.020 1.00 1.22 O ATOM 197 CB PRO A 14 -11.230 -8.471 11.246 1.00 2.06 C ATOM 198 CG PRO A 14 -11.305 -8.023 12.705 1.00 2.26 C ATOM 199 CD PRO A 14 -10.107 -8.736 13.331 1.00 2.14 C ATOM 0 HA PRO A 14 -9.465 -9.373 10.289 1.00 1.51 H new ATOM 0 HB2 PRO A 14 -11.715 -7.755 10.582 1.00 2.06 H new ATOM 0 HB3 PRO A 14 -11.724 -9.431 11.096 1.00 2.06 H new ATOM 0 HG2 PRO A 14 -11.229 -6.940 12.802 1.00 2.26 H new ATOM 0 HG3 PRO A 14 -12.244 -8.319 13.173 1.00 2.26 H new ATOM 0 HD2 PRO A 14 -9.726 -8.183 14.190 1.00 2.14 H new ATOM 0 HD3 PRO A 14 -10.384 -9.728 13.688 1.00 2.14 H new ATOM 207 N ASN A 15 -8.508 -6.394 10.892 1.00 0.77 N ATOM 208 CA ASN A 15 -7.676 -5.379 10.255 1.00 0.58 C ATOM 209 C ASN A 15 -6.209 -5.824 10.176 1.00 0.75 C ATOM 210 O ASN A 15 -5.647 -6.370 11.130 1.00 1.02 O ATOM 211 CB ASN A 15 -7.819 -4.074 11.048 1.00 1.12 C ATOM 212 CG ASN A 15 -6.867 -2.954 10.639 1.00 1.79 C ATOM 213 OD1 ASN A 15 -5.689 -2.951 10.973 1.00 3.03 O ATOM 214 ND2 ASN A 15 -7.378 -1.968 9.933 1.00 2.30 N ATOM 0 H ASN A 15 -8.513 -6.328 11.910 1.00 0.77 H new ATOM 0 HA ASN A 15 -8.008 -5.226 9.228 1.00 0.58 H new ATOM 0 HB2 ASN A 15 -8.843 -3.715 10.943 1.00 1.12 H new ATOM 0 HB3 ASN A 15 -7.665 -4.292 12.105 1.00 1.12 H new ATOM 0 HD21 ASN A 15 -6.790 -1.182 9.654 1.00 2.30 H new ATOM 0 HD22 ASN A 15 -8.362 -1.989 9.665 1.00 2.30 H new ATOM 221 N ALA A 16 -5.581 -5.479 9.057 1.00 0.82 N ATOM 222 CA ALA A 16 -4.133 -5.480 8.854 1.00 1.05 C ATOM 223 C ALA A 16 -3.684 -4.301 7.986 1.00 0.78 C ATOM 224 O ALA A 16 -4.497 -3.508 7.519 1.00 0.62 O ATOM 225 CB ALA A 16 -3.701 -6.823 8.243 1.00 1.49 C ATOM 0 H ALA A 16 -6.090 -5.176 8.226 1.00 0.82 H new ATOM 0 HA ALA A 16 -3.645 -5.359 9.821 1.00 1.05 H new ATOM 0 HB1 ALA A 16 -2.622 -6.823 8.092 1.00 1.49 H new ATOM 0 HB2 ALA A 16 -3.973 -7.634 8.918 1.00 1.49 H new ATOM 0 HB3 ALA A 16 -4.202 -6.965 7.285 1.00 1.49 H new ATOM 231 N ALA A 17 -2.374 -4.211 7.762 1.00 1.06 N ATOM 232 CA ALA A 17 -1.732 -3.211 6.922 1.00 0.95 C ATOM 233 C ALA A 17 -0.666 -3.871 6.043 1.00 0.92 C ATOM 234 O ALA A 17 -0.054 -4.864 6.448 1.00 1.13 O ATOM 235 CB ALA A 17 -1.092 -2.155 7.833 1.00 1.14 C ATOM 0 H ALA A 17 -1.707 -4.861 8.179 1.00 1.06 H new ATOM 0 HA ALA A 17 -2.467 -2.741 6.269 1.00 0.95 H new ATOM 0 HB1 ALA A 17 -0.605 -1.395 7.222 1.00 1.14 H new ATOM 0 HB2 ALA A 17 -1.863 -1.688 8.446 1.00 1.14 H new ATOM 0 HB3 ALA A 17 -0.353 -2.631 8.478 1.00 1.14 H new ATOM 241 N ALA A 18 -0.386 -3.260 4.892 1.00 0.81 N ATOM 242 CA ALA A 18 0.751 -3.586 4.039 1.00 0.86 C ATOM 243 C ALA A 18 1.536 -2.334 3.613 1.00 0.86 C ATOM 244 O ALA A 18 0.965 -1.281 3.312 1.00 0.86 O ATOM 245 CB ALA A 18 0.250 -4.382 2.828 1.00 0.96 C ATOM 0 H ALA A 18 -0.961 -2.504 4.519 1.00 0.81 H new ATOM 0 HA ALA A 18 1.453 -4.197 4.607 1.00 0.86 H new ATOM 0 HB1 ALA A 18 1.092 -4.631 2.183 1.00 0.96 H new ATOM 0 HB2 ALA A 18 -0.230 -5.299 3.169 1.00 0.96 H new ATOM 0 HB3 ALA A 18 -0.469 -3.782 2.270 1.00 0.96 H new ATOM 251 N TYR A 19 2.861 -2.499 3.554 1.00 0.97 N ATOM 252 CA TYR A 19 3.810 -1.546 2.981 1.00 0.94 C ATOM 253 C TYR A 19 4.521 -2.158 1.766 1.00 0.94 C ATOM 254 O TYR A 19 4.835 -3.350 1.748 1.00 1.10 O ATOM 255 CB TYR A 19 4.878 -1.181 4.019 1.00 0.95 C ATOM 256 CG TYR A 19 4.382 -0.942 5.430 1.00 0.99 C ATOM 257 CD1 TYR A 19 3.537 0.141 5.747 1.00 1.86 C ATOM 258 CD2 TYR A 19 4.801 -1.825 6.435 1.00 2.07 C ATOM 259 CE1 TYR A 19 3.149 0.357 7.087 1.00 2.02 C ATOM 260 CE2 TYR A 19 4.466 -1.592 7.774 1.00 2.11 C ATOM 261 CZ TYR A 19 3.655 -0.484 8.110 1.00 1.31 C ATOM 262 OH TYR A 19 3.378 -0.233 9.418 1.00 1.56 O ATOM 0 H TYR A 19 3.318 -3.335 3.919 1.00 0.97 H new ATOM 0 HA TYR A 19 3.253 -0.659 2.678 1.00 0.94 H new ATOM 0 HB2 TYR A 19 5.617 -1.981 4.046 1.00 0.95 H new ATOM 0 HB3 TYR A 19 5.393 -0.282 3.680 1.00 0.95 H new ATOM 0 HD1 TYR A 19 3.188 0.803 4.968 1.00 1.86 H new ATOM 0 HD2 TYR A 19 5.388 -2.693 6.174 1.00 2.07 H new ATOM 0 HE1 TYR A 19 2.469 1.160 7.332 1.00 2.02 H new ATOM 0 HE2 TYR A 19 4.825 -2.256 8.547 1.00 2.11 H new ATOM 0 HH TYR A 19 3.806 -0.913 9.979 1.00 1.56 H new ATOM 272 N LEU A 20 4.865 -1.314 0.791 1.00 0.85 N ATOM 273 CA LEU A 20 5.659 -1.696 -0.384 1.00 0.87 C ATOM 274 C LEU A 20 6.221 -0.490 -1.128 1.00 0.87 C ATOM 275 O LEU A 20 5.619 0.582 -1.162 1.00 0.88 O ATOM 276 CB LEU A 20 4.872 -2.648 -1.316 1.00 0.93 C ATOM 277 CG LEU A 20 3.572 -2.071 -1.925 1.00 1.05 C ATOM 278 CD1 LEU A 20 3.807 -1.472 -3.322 1.00 1.41 C ATOM 279 CD2 LEU A 20 2.504 -3.170 -2.018 1.00 1.57 C ATOM 0 H LEU A 20 4.597 -0.330 0.794 1.00 0.85 H new ATOM 0 HA LEU A 20 6.523 -2.249 -0.016 1.00 0.87 H new ATOM 0 HB2 LEU A 20 5.528 -2.953 -2.131 1.00 0.93 H new ATOM 0 HB3 LEU A 20 4.620 -3.548 -0.756 1.00 0.93 H new ATOM 0 HG LEU A 20 3.232 -1.271 -1.267 1.00 1.05 H new ATOM 0 HD11 LEU A 20 2.868 -1.079 -3.712 1.00 1.41 H new ATOM 0 HD12 LEU A 20 4.538 -0.666 -3.254 1.00 1.41 H new ATOM 0 HD13 LEU A 20 4.182 -2.246 -3.991 1.00 1.41 H new ATOM 0 HD21 LEU A 20 1.592 -2.756 -2.448 1.00 1.57 H new ATOM 0 HD22 LEU A 20 2.868 -3.979 -2.651 1.00 1.57 H new ATOM 0 HD23 LEU A 20 2.292 -3.557 -1.021 1.00 1.57 H new ATOM 291 N THR A 21 7.377 -0.682 -1.756 1.00 0.98 N ATOM 292 CA THR A 21 8.005 0.308 -2.627 1.00 1.11 C ATOM 293 C THR A 21 7.363 0.232 -3.996 1.00 1.22 C ATOM 294 O THR A 21 7.470 -0.790 -4.667 1.00 1.29 O ATOM 295 CB THR A 21 9.503 0.051 -2.703 1.00 1.18 C ATOM 296 OG1 THR A 21 9.989 0.207 -1.397 1.00 1.24 O ATOM 297 CG2 THR A 21 10.236 1.031 -3.612 1.00 1.38 C ATOM 0 H THR A 21 7.914 -1.545 -1.673 1.00 0.98 H new ATOM 0 HA THR A 21 7.859 1.311 -2.227 1.00 1.11 H new ATOM 0 HB THR A 21 9.672 -0.943 -3.118 1.00 1.18 H new ATOM 0 HG1 THR A 21 9.883 -0.634 -0.906 1.00 1.24 H new ATOM 0 HG21 THR A 21 11.300 0.792 -3.622 1.00 1.38 H new ATOM 0 HG22 THR A 21 9.838 0.956 -4.624 1.00 1.38 H new ATOM 0 HG23 THR A 21 10.095 2.046 -3.241 1.00 1.38 H new ATOM 305 N LEU A 22 6.721 1.313 -4.428 1.00 1.47 N ATOM 306 CA LEU A 22 6.261 1.471 -5.801 1.00 1.59 C ATOM 307 C LEU A 22 7.346 2.132 -6.657 1.00 1.39 C ATOM 308 O LEU A 22 7.949 3.132 -6.261 1.00 1.36 O ATOM 309 CB LEU A 22 4.947 2.252 -5.832 1.00 1.85 C ATOM 310 CG LEU A 22 4.061 1.672 -6.951 1.00 1.84 C ATOM 311 CD1 LEU A 22 3.273 0.448 -6.463 1.00 2.77 C ATOM 312 CD2 LEU A 22 3.130 2.758 -7.451 1.00 3.52 C ATOM 0 H LEU A 22 6.504 2.110 -3.829 1.00 1.47 H new ATOM 0 HA LEU A 22 6.067 0.488 -6.230 1.00 1.59 H new ATOM 0 HB2 LEU A 22 4.440 2.178 -4.870 1.00 1.85 H new ATOM 0 HB3 LEU A 22 5.139 3.310 -6.011 1.00 1.85 H new ATOM 0 HG LEU A 22 4.695 1.333 -7.770 1.00 1.84 H new ATOM 0 HD11 LEU A 22 2.658 0.063 -7.277 1.00 2.77 H new ATOM 0 HD12 LEU A 22 3.968 -0.326 -6.136 1.00 2.77 H new ATOM 0 HD13 LEU A 22 2.633 0.736 -5.629 1.00 2.77 H new ATOM 0 HD21 LEU A 22 2.498 2.359 -8.244 1.00 3.52 H new ATOM 0 HD22 LEU A 22 2.505 3.108 -6.630 1.00 3.52 H new ATOM 0 HD23 LEU A 22 3.717 3.590 -7.840 1.00 3.52 H new ATOM 324 N GLU A 23 7.560 1.595 -7.851 1.00 1.37 N ATOM 325 CA GLU A 23 8.439 2.152 -8.876 1.00 1.27 C ATOM 326 C GLU A 23 7.652 2.354 -10.167 1.00 1.42 C ATOM 327 O GLU A 23 6.563 1.800 -10.330 1.00 1.97 O ATOM 328 CB GLU A 23 9.650 1.238 -9.118 1.00 1.25 C ATOM 329 CG GLU A 23 9.290 -0.100 -9.777 1.00 1.49 C ATOM 330 CD GLU A 23 10.560 -0.867 -10.105 1.00 1.92 C ATOM 331 OE1 GLU A 23 11.067 -1.545 -9.189 1.00 2.20 O ATOM 332 OE2 GLU A 23 11.043 -0.782 -11.251 1.00 3.03 O ATOM 0 H GLU A 23 7.111 0.728 -8.145 1.00 1.37 H new ATOM 0 HA GLU A 23 8.815 3.115 -8.531 1.00 1.27 H new ATOM 0 HB2 GLU A 23 10.369 1.761 -9.748 1.00 1.25 H new ATOM 0 HB3 GLU A 23 10.143 1.043 -8.166 1.00 1.25 H new ATOM 0 HG2 GLU A 23 8.661 -0.688 -9.109 1.00 1.49 H new ATOM 0 HG3 GLU A 23 8.714 0.074 -10.686 1.00 1.49 H new ATOM 339 N ASN A 24 8.246 3.084 -11.106 1.00 1.14 N ATOM 340 CA ASN A 24 7.843 3.088 -12.503 1.00 1.08 C ATOM 341 C ASN A 24 9.087 3.113 -13.407 1.00 1.16 C ATOM 342 O ASN A 24 9.705 4.167 -13.531 1.00 1.17 O ATOM 343 CB ASN A 24 6.951 4.311 -12.765 1.00 0.94 C ATOM 344 CG ASN A 24 6.415 4.303 -14.190 1.00 0.89 C ATOM 345 OD1 ASN A 24 6.608 3.368 -14.953 1.00 1.00 O ATOM 346 ND2 ASN A 24 5.712 5.343 -14.576 1.00 0.80 N ATOM 0 H ASN A 24 9.035 3.700 -10.911 1.00 1.14 H new ATOM 0 HA ASN A 24 7.278 2.183 -12.729 1.00 1.08 H new ATOM 0 HB2 ASN A 24 6.119 4.316 -12.060 1.00 0.94 H new ATOM 0 HB3 ASN A 24 7.521 5.224 -12.592 1.00 0.94 H new ATOM 0 HD21 ASN A 24 5.323 5.374 -15.518 1.00 0.80 H new ATOM 0 HD22 ASN A 24 5.555 6.120 -13.933 1.00 0.80 H new ATOM 353 N PRO A 25 9.474 1.999 -14.049 1.00 1.28 N ATOM 354 CA PRO A 25 10.575 1.976 -15.010 1.00 1.36 C ATOM 355 C PRO A 25 10.156 2.422 -16.421 1.00 1.25 C ATOM 356 O PRO A 25 11.024 2.629 -17.267 1.00 1.29 O ATOM 357 CB PRO A 25 11.047 0.519 -14.999 1.00 1.59 C ATOM 358 CG PRO A 25 9.750 -0.254 -14.753 1.00 1.60 C ATOM 359 CD PRO A 25 8.987 0.651 -13.795 1.00 1.41 C ATOM 0 HA PRO A 25 11.359 2.681 -14.734 1.00 1.36 H new ATOM 0 HB2 PRO A 25 11.513 0.237 -15.943 1.00 1.59 H new ATOM 0 HB3 PRO A 25 11.781 0.337 -14.214 1.00 1.59 H new ATOM 0 HG2 PRO A 25 9.197 -0.420 -15.678 1.00 1.60 H new ATOM 0 HG3 PRO A 25 9.941 -1.234 -14.316 1.00 1.60 H new ATOM 0 HD2 PRO A 25 7.913 0.585 -13.967 1.00 1.41 H new ATOM 0 HD3 PRO A 25 9.163 0.361 -12.759 1.00 1.41 H new ATOM 367 N GLY A 26 8.853 2.578 -16.686 1.00 1.14 N ATOM 368 CA GLY A 26 8.323 2.975 -17.987 1.00 1.10 C ATOM 369 C GLY A 26 8.415 4.478 -18.219 1.00 0.99 C ATOM 370 O GLY A 26 8.471 5.274 -17.287 1.00 1.03 O ATOM 0 H GLY A 26 8.127 2.428 -15.985 1.00 1.14 H new ATOM 0 HA2 GLY A 26 8.870 2.455 -18.773 1.00 1.10 H new ATOM 0 HA3 GLY A 26 7.282 2.662 -18.063 1.00 1.10 H new ATOM 374 N ASP A 27 8.417 4.854 -19.495 1.00 1.09 N ATOM 375 CA ASP A 27 8.573 6.230 -19.987 1.00 1.06 C ATOM 376 C ASP A 27 7.237 6.997 -20.097 1.00 0.98 C ATOM 377 O ASP A 27 7.202 8.142 -20.545 1.00 1.00 O ATOM 378 CB ASP A 27 9.357 6.167 -21.311 1.00 1.29 C ATOM 379 CG ASP A 27 10.721 5.496 -21.099 1.00 1.84 C ATOM 380 OD1 ASP A 27 10.770 4.247 -21.019 1.00 2.44 O ATOM 381 OD2 ASP A 27 11.720 6.199 -20.840 1.00 2.75 O ATOM 0 H ASP A 27 8.305 4.181 -20.253 1.00 1.09 H new ATOM 0 HA ASP A 27 9.136 6.816 -19.260 1.00 1.06 H new ATOM 0 HB2 ASP A 27 8.784 5.612 -22.053 1.00 1.29 H new ATOM 0 HB3 ASP A 27 9.498 7.174 -21.705 1.00 1.29 H new ATOM 386 N LEU A 28 6.140 6.387 -19.629 1.00 0.98 N ATOM 387 CA LEU A 28 4.829 7.007 -19.424 1.00 0.96 C ATOM 388 C LEU A 28 4.436 6.949 -17.928 1.00 0.82 C ATOM 389 O LEU A 28 4.989 6.122 -17.202 1.00 0.80 O ATOM 390 CB LEU A 28 3.830 6.354 -20.402 1.00 1.13 C ATOM 391 CG LEU A 28 3.495 4.859 -20.193 1.00 1.31 C ATOM 392 CD1 LEU A 28 2.509 4.628 -19.036 1.00 1.78 C ATOM 393 CD2 LEU A 28 2.862 4.311 -21.480 1.00 1.45 C ATOM 0 H LEU A 28 6.145 5.400 -19.371 1.00 0.98 H new ATOM 0 HA LEU A 28 4.837 8.072 -19.656 1.00 0.96 H new ATOM 0 HB2 LEU A 28 2.898 6.917 -20.355 1.00 1.13 H new ATOM 0 HB3 LEU A 28 4.223 6.472 -21.412 1.00 1.13 H new ATOM 0 HG LEU A 28 4.426 4.348 -19.947 1.00 1.31 H new ATOM 0 HD11 LEU A 28 2.310 3.561 -18.935 1.00 1.78 H new ATOM 0 HD12 LEU A 28 2.941 5.006 -18.109 1.00 1.78 H new ATOM 0 HD13 LEU A 28 1.576 5.153 -19.242 1.00 1.78 H new ATOM 0 HD21 LEU A 28 2.621 3.257 -21.346 1.00 1.45 H new ATOM 0 HD22 LEU A 28 1.951 4.866 -21.702 1.00 1.45 H new ATOM 0 HD23 LEU A 28 3.565 4.420 -22.306 1.00 1.45 H new ATOM 405 N PRO A 29 3.516 7.803 -17.434 1.00 0.81 N ATOM 406 CA PRO A 29 3.242 7.945 -16.003 1.00 0.76 C ATOM 407 C PRO A 29 2.366 6.795 -15.473 1.00 0.76 C ATOM 408 O PRO A 29 1.652 6.144 -16.238 1.00 0.88 O ATOM 409 CB PRO A 29 2.546 9.301 -15.858 1.00 0.82 C ATOM 410 CG PRO A 29 1.810 9.461 -17.188 1.00 0.93 C ATOM 411 CD PRO A 29 2.703 8.736 -18.199 1.00 0.93 C ATOM 0 HA PRO A 29 4.158 7.899 -15.413 1.00 0.76 H new ATOM 0 HB2 PRO A 29 1.857 9.312 -15.013 1.00 0.82 H new ATOM 0 HB3 PRO A 29 3.263 10.106 -15.695 1.00 0.82 H new ATOM 0 HG2 PRO A 29 0.814 9.020 -17.148 1.00 0.93 H new ATOM 0 HG3 PRO A 29 1.683 10.512 -17.450 1.00 0.93 H new ATOM 0 HD2 PRO A 29 2.102 8.210 -18.941 1.00 0.93 H new ATOM 0 HD3 PRO A 29 3.330 9.444 -18.741 1.00 0.93 H new ATOM 419 N LEU A 30 2.389 6.567 -14.154 1.00 0.75 N ATOM 420 CA LEU A 30 1.683 5.475 -13.477 1.00 0.79 C ATOM 421 C LEU A 30 0.768 6.035 -12.393 1.00 0.76 C ATOM 422 O LEU A 30 1.224 6.756 -11.515 1.00 0.91 O ATOM 423 CB LEU A 30 2.693 4.496 -12.859 1.00 0.98 C ATOM 424 CG LEU A 30 2.618 3.077 -13.442 1.00 0.83 C ATOM 425 CD1 LEU A 30 2.849 2.986 -14.955 1.00 1.89 C ATOM 426 CD2 LEU A 30 3.619 2.176 -12.723 1.00 2.36 C ATOM 0 H LEU A 30 2.916 7.156 -13.510 1.00 0.75 H new ATOM 0 HA LEU A 30 1.077 4.941 -14.209 1.00 0.79 H new ATOM 0 HB2 LEU A 30 3.700 4.886 -13.006 1.00 0.98 H new ATOM 0 HB3 LEU A 30 2.525 4.446 -11.783 1.00 0.98 H new ATOM 0 HG LEU A 30 1.592 2.748 -13.278 1.00 0.83 H new ATOM 0 HD11 LEU A 30 2.776 1.946 -15.272 1.00 1.89 H new ATOM 0 HD12 LEU A 30 2.095 3.577 -15.474 1.00 1.89 H new ATOM 0 HD13 LEU A 30 3.840 3.370 -15.195 1.00 1.89 H new ATOM 0 HD21 LEU A 30 3.565 1.169 -13.137 1.00 2.36 H new ATOM 0 HD22 LEU A 30 4.626 2.571 -12.858 1.00 2.36 H new ATOM 0 HD23 LEU A 30 3.381 2.144 -11.660 1.00 2.36 H new ATOM 438 N ARG A 31 -0.495 5.616 -12.413 1.00 0.67 N ATOM 439 CA ARG A 31 -1.513 5.921 -11.389 1.00 0.64 C ATOM 440 C ARG A 31 -2.045 4.632 -10.772 1.00 0.63 C ATOM 441 O ARG A 31 -2.714 3.859 -11.464 1.00 0.66 O ATOM 442 CB ARG A 31 -2.660 6.746 -11.996 1.00 0.65 C ATOM 443 CG ARG A 31 -3.705 7.157 -10.938 1.00 0.73 C ATOM 444 CD ARG A 31 -4.761 8.142 -11.458 1.00 0.94 C ATOM 445 NE ARG A 31 -4.208 9.487 -11.677 1.00 1.43 N ATOM 446 CZ ARG A 31 -4.867 10.615 -11.891 1.00 2.05 C ATOM 447 NH1 ARG A 31 -6.175 10.632 -12.061 1.00 2.81 N ATOM 448 NH2 ARG A 31 -4.201 11.744 -11.930 1.00 3.02 N ATOM 0 H ARG A 31 -0.859 5.033 -13.167 1.00 0.67 H new ATOM 0 HA ARG A 31 -1.047 6.514 -10.602 1.00 0.64 H new ATOM 0 HB2 ARG A 31 -2.252 7.640 -12.468 1.00 0.65 H new ATOM 0 HB3 ARG A 31 -3.147 6.166 -12.780 1.00 0.65 H new ATOM 0 HG2 ARG A 31 -4.207 6.262 -10.570 1.00 0.73 H new ATOM 0 HG3 ARG A 31 -3.190 7.606 -10.088 1.00 0.73 H new ATOM 0 HD2 ARG A 31 -5.177 7.766 -12.393 1.00 0.94 H new ATOM 0 HD3 ARG A 31 -5.583 8.201 -10.744 1.00 0.94 H new ATOM 0 HE ARG A 31 -3.191 9.560 -11.662 1.00 1.43 H new ATOM 0 HH11 ARG A 31 -6.705 9.761 -12.029 1.00 2.81 H new ATOM 0 HH12 ARG A 31 -6.657 11.516 -12.224 1.00 2.81 H new ATOM 0 HH21 ARG A 31 -3.190 11.744 -11.796 1.00 3.02 H new ATOM 0 HH22 ARG A 31 -4.694 12.622 -12.094 1.00 3.02 H new ATOM 462 N LEU A 32 -1.740 4.401 -9.498 1.00 0.60 N ATOM 463 CA LEU A 32 -2.128 3.229 -8.710 1.00 0.53 C ATOM 464 C LEU A 32 -3.453 3.528 -7.990 1.00 0.51 C ATOM 465 O LEU A 32 -3.538 4.493 -7.241 1.00 0.53 O ATOM 466 CB LEU A 32 -0.980 2.956 -7.723 1.00 0.55 C ATOM 467 CG LEU A 32 -1.188 1.721 -6.822 1.00 0.56 C ATOM 468 CD1 LEU A 32 -0.834 0.423 -7.560 1.00 0.80 C ATOM 469 CD2 LEU A 32 -0.280 1.850 -5.595 1.00 0.69 C ATOM 0 H LEU A 32 -1.184 5.062 -8.955 1.00 0.60 H new ATOM 0 HA LEU A 32 -2.289 2.346 -9.328 1.00 0.53 H new ATOM 0 HB2 LEU A 32 -0.056 2.826 -8.287 1.00 0.55 H new ATOM 0 HB3 LEU A 32 -0.846 3.833 -7.090 1.00 0.55 H new ATOM 0 HG LEU A 32 -2.238 1.678 -6.533 1.00 0.56 H new ATOM 0 HD11 LEU A 32 -0.992 -0.427 -6.897 1.00 0.80 H new ATOM 0 HD12 LEU A 32 -1.469 0.320 -8.440 1.00 0.80 H new ATOM 0 HD13 LEU A 32 0.211 0.453 -7.869 1.00 0.80 H new ATOM 0 HD21 LEU A 32 -0.417 0.983 -4.949 1.00 0.69 H new ATOM 0 HD22 LEU A 32 0.760 1.903 -5.916 1.00 0.69 H new ATOM 0 HD23 LEU A 32 -0.537 2.756 -5.046 1.00 0.69 H new ATOM 481 N VAL A 33 -4.479 2.711 -8.208 1.00 0.54 N ATOM 482 CA VAL A 33 -5.865 2.971 -7.760 1.00 0.53 C ATOM 483 C VAL A 33 -6.340 2.007 -6.661 1.00 0.53 C ATOM 484 O VAL A 33 -7.374 2.242 -6.038 1.00 0.53 O ATOM 485 CB VAL A 33 -6.851 2.957 -8.957 1.00 0.58 C ATOM 486 CG1 VAL A 33 -6.489 4.061 -9.968 1.00 0.64 C ATOM 487 CG2 VAL A 33 -6.902 1.605 -9.692 1.00 0.66 C ATOM 0 H VAL A 33 -4.380 1.829 -8.710 1.00 0.54 H new ATOM 0 HA VAL A 33 -5.855 3.968 -7.319 1.00 0.53 H new ATOM 0 HB VAL A 33 -7.838 3.136 -8.531 1.00 0.58 H new ATOM 0 HG11 VAL A 33 -7.191 4.036 -10.801 1.00 0.64 H new ATOM 0 HG12 VAL A 33 -6.541 5.034 -9.479 1.00 0.64 H new ATOM 0 HG13 VAL A 33 -5.478 3.896 -10.341 1.00 0.64 H new ATOM 0 HG21 VAL A 33 -7.611 1.666 -10.517 1.00 0.66 H new ATOM 0 HG22 VAL A 33 -5.912 1.365 -10.081 1.00 0.66 H new ATOM 0 HG23 VAL A 33 -7.218 0.826 -8.999 1.00 0.66 H new ATOM 497 N GLY A 34 -5.591 0.927 -6.407 1.00 0.54 N ATOM 498 CA GLY A 34 -5.889 -0.047 -5.370 1.00 0.56 C ATOM 499 C GLY A 34 -4.909 -1.210 -5.414 1.00 0.57 C ATOM 500 O GLY A 34 -3.842 -1.131 -6.025 1.00 0.60 O ATOM 0 H GLY A 34 -4.744 0.708 -6.932 1.00 0.54 H new ATOM 0 HA2 GLY A 34 -5.845 0.433 -4.392 1.00 0.56 H new ATOM 0 HA3 GLY A 34 -6.906 -0.419 -5.497 1.00 0.56 H new ATOM 504 N ALA A 35 -5.303 -2.308 -4.786 1.00 0.59 N ATOM 505 CA ALA A 35 -4.569 -3.565 -4.769 1.00 0.64 C ATOM 506 C ALA A 35 -5.531 -4.737 -4.524 1.00 0.66 C ATOM 507 O ALA A 35 -6.732 -4.512 -4.394 1.00 0.72 O ATOM 508 CB ALA A 35 -3.438 -3.456 -3.742 1.00 0.76 C ATOM 0 H ALA A 35 -6.173 -2.350 -4.256 1.00 0.59 H new ATOM 0 HA ALA A 35 -4.106 -3.768 -5.735 1.00 0.64 H new ATOM 0 HB1 ALA A 35 -2.878 -4.391 -3.717 1.00 0.76 H new ATOM 0 HB2 ALA A 35 -2.771 -2.640 -4.021 1.00 0.76 H new ATOM 0 HB3 ALA A 35 -3.859 -3.259 -2.756 1.00 0.76 H new ATOM 514 N ARG A 36 -5.050 -5.981 -4.448 1.00 0.73 N ATOM 515 CA ARG A 36 -5.864 -7.122 -3.984 1.00 0.81 C ATOM 516 C ARG A 36 -4.945 -8.163 -3.385 1.00 0.91 C ATOM 517 O ARG A 36 -3.840 -8.330 -3.874 1.00 1.09 O ATOM 518 CB ARG A 36 -6.638 -7.835 -5.110 1.00 1.10 C ATOM 519 CG ARG A 36 -7.627 -6.990 -5.923 1.00 1.40 C ATOM 520 CD ARG A 36 -8.470 -7.849 -6.878 1.00 2.00 C ATOM 521 NE ARG A 36 -7.642 -8.658 -7.790 1.00 3.14 N ATOM 522 CZ ARG A 36 -7.973 -9.148 -8.975 1.00 4.17 C ATOM 523 NH1 ARG A 36 -9.190 -9.058 -9.474 1.00 4.42 N ATOM 524 NH2 ARG A 36 -7.041 -9.742 -9.681 1.00 5.60 N ATOM 0 H ARG A 36 -4.094 -6.231 -4.703 1.00 0.73 H new ATOM 0 HA ARG A 36 -6.582 -6.709 -3.275 1.00 0.81 H new ATOM 0 HB2 ARG A 36 -5.912 -8.263 -5.801 1.00 1.10 H new ATOM 0 HB3 ARG A 36 -7.187 -8.667 -4.669 1.00 1.10 H new ATOM 0 HG2 ARG A 36 -8.286 -6.450 -5.243 1.00 1.40 H new ATOM 0 HG3 ARG A 36 -7.079 -6.242 -6.496 1.00 1.40 H new ATOM 0 HD2 ARG A 36 -9.114 -8.508 -6.296 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -9.123 -7.201 -7.463 1.00 2.00 H new ATOM 0 HE ARG A 36 -6.697 -8.866 -7.469 1.00 3.14 H new ATOM 0 HH11 ARG A 36 -9.926 -8.595 -8.942 1.00 4.42 H new ATOM 0 HH12 ARG A 36 -9.395 -9.452 -10.392 1.00 4.42 H new ATOM 0 HH21 ARG A 36 -6.092 -9.816 -9.314 1.00 5.60 H new ATOM 0 HH22 ARG A 36 -7.265 -10.130 -10.598 1.00 5.60 H new ATOM 538 N THR A 37 -5.415 -8.947 -2.421 1.00 0.80 N ATOM 539 CA THR A 37 -4.689 -10.119 -1.926 1.00 0.72 C ATOM 540 C THR A 37 -5.693 -11.235 -1.653 1.00 0.64 C ATOM 541 O THR A 37 -6.796 -10.916 -1.209 1.00 0.74 O ATOM 542 CB THR A 37 -3.852 -9.758 -0.708 1.00 0.84 C ATOM 543 OG1 THR A 37 -3.304 -10.954 -0.219 1.00 0.87 O ATOM 544 CG2 THR A 37 -4.594 -9.033 0.412 1.00 0.88 C ATOM 0 H THR A 37 -6.310 -8.791 -1.958 1.00 0.80 H new ATOM 0 HA THR A 37 -3.984 -10.477 -2.676 1.00 0.72 H new ATOM 0 HB THR A 37 -3.099 -9.041 -1.036 1.00 0.84 H new ATOM 0 HG1 THR A 37 -2.548 -11.222 -0.782 1.00 0.87 H new ATOM 0 HG21 THR A 37 -3.904 -8.824 1.230 1.00 0.88 H new ATOM 0 HG22 THR A 37 -5.001 -8.096 0.032 1.00 0.88 H new ATOM 0 HG23 THR A 37 -5.408 -9.661 0.775 1.00 0.88 H new ATOM 552 N PRO A 38 -5.350 -12.524 -1.850 1.00 0.60 N ATOM 553 CA PRO A 38 -6.184 -13.626 -1.390 1.00 0.65 C ATOM 554 C PRO A 38 -6.346 -13.641 0.128 1.00 0.70 C ATOM 555 O PRO A 38 -7.277 -14.269 0.612 1.00 0.85 O ATOM 556 CB PRO A 38 -5.481 -14.892 -1.871 1.00 0.76 C ATOM 557 CG PRO A 38 -4.016 -14.495 -1.990 1.00 0.75 C ATOM 558 CD PRO A 38 -4.125 -13.044 -2.450 1.00 0.68 C ATOM 0 HA PRO A 38 -7.195 -13.536 -1.786 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -5.614 -15.712 -1.165 1.00 0.76 H new ATOM 0 HB3 PRO A 38 -5.880 -15.228 -2.828 1.00 0.76 H new ATOM 0 HG2 PRO A 38 -3.489 -14.585 -1.040 1.00 0.75 H new ATOM 0 HG3 PRO A 38 -3.481 -15.114 -2.711 1.00 0.75 H new ATOM 0 HD2 PRO A 38 -3.258 -12.467 -2.130 1.00 0.68 H new ATOM 0 HD3 PRO A 38 -4.166 -12.981 -3.537 1.00 0.68 H new ATOM 566 N VAL A 39 -5.456 -12.968 0.872 1.00 0.70 N ATOM 567 CA VAL A 39 -5.496 -12.934 2.350 1.00 0.76 C ATOM 568 C VAL A 39 -6.466 -11.892 2.931 1.00 0.75 C ATOM 569 O VAL A 39 -6.634 -11.867 4.148 1.00 0.92 O ATOM 570 CB VAL A 39 -4.093 -12.831 3.017 1.00 0.86 C ATOM 571 CG1 VAL A 39 -3.053 -13.675 2.255 1.00 0.86 C ATOM 572 CG2 VAL A 39 -3.557 -11.402 3.204 1.00 0.92 C ATOM 0 H VAL A 39 -4.687 -12.431 0.471 1.00 0.70 H new ATOM 0 HA VAL A 39 -5.899 -13.912 2.612 1.00 0.76 H new ATOM 0 HB VAL A 39 -4.246 -13.226 4.021 1.00 0.86 H new ATOM 0 HG11 VAL A 39 -2.083 -13.584 2.743 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -3.362 -14.720 2.254 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -2.977 -13.318 1.228 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -2.575 -11.440 3.676 1.00 0.92 H new ATOM 0 HG22 VAL A 39 -3.474 -10.915 2.233 1.00 0.92 H new ATOM 0 HG23 VAL A 39 -4.242 -10.836 3.836 1.00 0.92 H new ATOM 582 N ALA A 40 -7.127 -11.062 2.108 1.00 0.64 N ATOM 583 CA ALA A 40 -8.042 -10.009 2.572 1.00 0.63 C ATOM 584 C ALA A 40 -9.186 -9.708 1.590 1.00 0.66 C ATOM 585 O ALA A 40 -9.278 -10.322 0.529 1.00 0.85 O ATOM 586 CB ALA A 40 -7.249 -8.740 2.931 1.00 0.81 C ATOM 0 H ALA A 40 -7.040 -11.104 1.093 1.00 0.64 H new ATOM 0 HA ALA A 40 -8.532 -10.387 3.469 1.00 0.63 H new ATOM 0 HB1 ALA A 40 -7.936 -7.966 3.273 1.00 0.81 H new ATOM 0 HB2 ALA A 40 -6.536 -8.968 3.723 1.00 0.81 H new ATOM 0 HB3 ALA A 40 -6.712 -8.385 2.051 1.00 0.81 H new ATOM 592 N GLU A 41 -10.070 -8.790 1.980 1.00 0.83 N ATOM 593 CA GLU A 41 -11.291 -8.438 1.258 1.00 0.98 C ATOM 594 C GLU A 41 -11.261 -6.954 0.842 1.00 0.97 C ATOM 595 O GLU A 41 -10.765 -6.613 -0.235 1.00 1.34 O ATOM 596 CB GLU A 41 -12.504 -8.830 2.132 1.00 1.04 C ATOM 597 CG GLU A 41 -13.825 -8.910 1.358 1.00 1.31 C ATOM 598 CD GLU A 41 -13.813 -10.113 0.415 1.00 2.04 C ATOM 599 OE1 GLU A 41 -14.182 -11.214 0.863 1.00 2.47 O ATOM 600 OE2 GLU A 41 -13.259 -9.987 -0.701 1.00 3.28 O ATOM 0 H GLU A 41 -9.951 -8.252 2.838 1.00 0.83 H new ATOM 0 HA GLU A 41 -11.374 -8.992 0.323 1.00 0.98 H new ATOM 0 HB2 GLU A 41 -12.307 -9.796 2.597 1.00 1.04 H new ATOM 0 HB3 GLU A 41 -12.609 -8.103 2.938 1.00 1.04 H new ATOM 0 HG2 GLU A 41 -14.659 -8.994 2.055 1.00 1.31 H new ATOM 0 HG3 GLU A 41 -13.977 -7.993 0.788 1.00 1.31 H new ATOM 607 N ARG A 42 -11.720 -6.037 1.703 1.00 0.79 N ATOM 608 CA ARG A 42 -11.741 -4.617 1.367 1.00 0.85 C ATOM 609 C ARG A 42 -10.332 -4.042 1.538 1.00 0.82 C ATOM 610 O ARG A 42 -9.879 -3.777 2.652 1.00 1.28 O ATOM 611 CB ARG A 42 -12.793 -3.860 2.197 1.00 0.96 C ATOM 612 CG ARG A 42 -12.955 -2.409 1.703 1.00 1.35 C ATOM 613 CD ARG A 42 -13.245 -1.404 2.820 1.00 1.60 C ATOM 614 NE ARG A 42 -14.594 -1.546 3.401 1.00 1.86 N ATOM 615 CZ ARG A 42 -15.108 -0.719 4.308 1.00 2.64 C ATOM 616 NH1 ARG A 42 -14.418 0.278 4.818 1.00 3.28 N ATOM 617 NH2 ARG A 42 -16.348 -0.868 4.722 1.00 3.53 N ATOM 0 H ARG A 42 -12.079 -6.256 2.632 1.00 0.79 H new ATOM 0 HA ARG A 42 -12.038 -4.492 0.326 1.00 0.85 H new ATOM 0 HB2 ARG A 42 -13.750 -4.377 2.134 1.00 0.96 H new ATOM 0 HB3 ARG A 42 -12.500 -3.859 3.247 1.00 0.96 H new ATOM 0 HG2 ARG A 42 -12.045 -2.108 1.184 1.00 1.35 H new ATOM 0 HG3 ARG A 42 -13.765 -2.372 0.974 1.00 1.35 H new ATOM 0 HD2 ARG A 42 -12.503 -1.525 3.609 1.00 1.60 H new ATOM 0 HD3 ARG A 42 -13.131 -0.393 2.428 1.00 1.60 H new ATOM 0 HE ARG A 42 -15.169 -2.328 3.087 1.00 1.86 H new ATOM 0 HH11 ARG A 42 -13.456 0.437 4.520 1.00 3.28 H new ATOM 0 HH12 ARG A 42 -14.845 0.892 5.512 1.00 3.28 H new ATOM 0 HH21 ARG A 42 -16.924 -1.622 4.347 1.00 3.53 H new ATOM 0 HH22 ARG A 42 -16.734 -0.229 5.418 1.00 3.53 H new ATOM 631 N VAL A 43 -9.661 -3.825 0.413 1.00 0.62 N ATOM 632 CA VAL A 43 -8.487 -2.941 0.296 1.00 0.66 C ATOM 633 C VAL A 43 -8.896 -1.465 0.425 1.00 0.72 C ATOM 634 O VAL A 43 -9.948 -1.071 -0.078 1.00 1.21 O ATOM 635 CB VAL A 43 -7.751 -3.162 -1.047 1.00 1.30 C ATOM 636 CG1 VAL A 43 -8.550 -2.657 -2.267 1.00 1.96 C ATOM 637 CG2 VAL A 43 -6.351 -2.532 -1.045 1.00 1.20 C ATOM 0 H VAL A 43 -9.918 -4.266 -0.470 1.00 0.62 H new ATOM 0 HA VAL A 43 -7.808 -3.193 1.111 1.00 0.66 H new ATOM 0 HB VAL A 43 -7.651 -4.243 -1.144 1.00 1.30 H new ATOM 0 HG11 VAL A 43 -7.979 -2.841 -3.177 1.00 1.96 H new ATOM 0 HG12 VAL A 43 -9.502 -3.185 -2.322 1.00 1.96 H new ATOM 0 HG13 VAL A 43 -8.734 -1.588 -2.164 1.00 1.96 H new ATOM 0 HG21 VAL A 43 -5.870 -2.711 -2.007 1.00 1.20 H new ATOM 0 HG22 VAL A 43 -6.435 -1.459 -0.876 1.00 1.20 H new ATOM 0 HG23 VAL A 43 -5.752 -2.979 -0.251 1.00 1.20 H new ATOM 647 N GLU A 44 -8.035 -0.641 1.029 1.00 0.58 N ATOM 648 CA GLU A 44 -8.087 0.826 0.956 1.00 0.67 C ATOM 649 C GLU A 44 -6.657 1.394 0.926 1.00 0.62 C ATOM 650 O GLU A 44 -5.890 1.120 1.845 1.00 0.64 O ATOM 651 CB GLU A 44 -8.807 1.406 2.189 1.00 0.77 C ATOM 652 CG GLU A 44 -10.277 0.989 2.347 1.00 0.88 C ATOM 653 CD GLU A 44 -10.918 1.545 3.620 1.00 1.25 C ATOM 654 OE1 GLU A 44 -10.456 2.590 4.130 1.00 2.33 O ATOM 655 OE2 GLU A 44 -11.900 0.915 4.081 1.00 1.80 O ATOM 0 H GLU A 44 -7.261 -0.983 1.598 1.00 0.58 H new ATOM 0 HA GLU A 44 -8.629 1.101 0.051 1.00 0.67 H new ATOM 0 HB2 GLU A 44 -8.262 1.103 3.083 1.00 0.77 H new ATOM 0 HB3 GLU A 44 -8.758 2.494 2.139 1.00 0.77 H new ATOM 0 HG2 GLU A 44 -10.842 1.333 1.481 1.00 0.88 H new ATOM 0 HG3 GLU A 44 -10.342 -0.099 2.358 1.00 0.88 H new ATOM 662 N LEU A 45 -6.260 2.191 -0.080 1.00 0.60 N ATOM 663 CA LEU A 45 -5.013 2.942 -0.028 1.00 0.59 C ATOM 664 C LEU A 45 -5.204 4.273 0.706 1.00 0.56 C ATOM 665 O LEU A 45 -5.992 5.131 0.300 1.00 0.56 O ATOM 666 CB LEU A 45 -4.471 3.106 -1.453 1.00 0.64 C ATOM 667 CG LEU A 45 -2.995 3.532 -1.435 1.00 0.67 C ATOM 668 CD1 LEU A 45 -2.299 3.045 -2.693 1.00 0.68 C ATOM 669 CD2 LEU A 45 -2.823 5.044 -1.447 1.00 0.73 C ATOM 0 H LEU A 45 -6.793 2.326 -0.939 1.00 0.60 H new ATOM 0 HA LEU A 45 -4.268 2.395 0.549 1.00 0.59 H new ATOM 0 HB2 LEU A 45 -4.575 2.167 -1.996 1.00 0.64 H new ATOM 0 HB3 LEU A 45 -5.062 3.850 -1.987 1.00 0.64 H new ATOM 0 HG LEU A 45 -2.577 3.107 -0.523 1.00 0.67 H new ATOM 0 HD11 LEU A 45 -1.253 3.351 -2.672 1.00 0.68 H new ATOM 0 HD12 LEU A 45 -2.358 1.958 -2.744 1.00 0.68 H new ATOM 0 HD13 LEU A 45 -2.786 3.476 -3.568 1.00 0.68 H new ATOM 0 HD21 LEU A 45 -1.761 5.290 -1.433 1.00 0.73 H new ATOM 0 HD22 LEU A 45 -3.279 5.455 -2.348 1.00 0.73 H new ATOM 0 HD23 LEU A 45 -3.306 5.472 -0.568 1.00 0.73 H new ATOM 681 N HIS A 46 -4.443 4.442 1.781 1.00 0.55 N ATOM 682 CA HIS A 46 -4.437 5.620 2.637 1.00 0.52 C ATOM 683 C HIS A 46 -3.170 6.481 2.462 1.00 0.53 C ATOM 684 O HIS A 46 -2.090 5.981 2.139 1.00 0.57 O ATOM 685 CB HIS A 46 -4.590 5.204 4.115 1.00 0.58 C ATOM 686 CG HIS A 46 -5.939 4.719 4.610 1.00 0.59 C ATOM 687 ND1 HIS A 46 -6.348 4.805 5.942 1.00 0.64 N ATOM 688 CD2 HIS A 46 -6.963 4.169 3.889 1.00 0.60 C ATOM 689 CE1 HIS A 46 -7.563 4.236 5.997 1.00 0.67 C ATOM 690 NE2 HIS A 46 -7.964 3.844 4.780 1.00 0.64 N ATOM 0 H HIS A 46 -3.784 3.729 2.093 1.00 0.55 H new ATOM 0 HA HIS A 46 -5.285 6.234 2.334 1.00 0.52 H new ATOM 0 HB2 HIS A 46 -3.865 4.414 4.310 1.00 0.58 H new ATOM 0 HB3 HIS A 46 -4.303 6.058 4.728 1.00 0.58 H new ATOM 0 HD2 HIS A 46 -6.984 4.017 2.820 1.00 0.60 H new ATOM 0 HE1 HIS A 46 -8.140 4.111 6.901 1.00 0.67 H new ATOM 0 HE2 HIS A 46 -8.848 3.388 4.554 1.00 0.64 H new ATOM 698 N GLU A 47 -3.344 7.775 2.722 1.00 0.51 N ATOM 699 CA GLU A 47 -2.304 8.777 2.978 1.00 0.58 C ATOM 700 C GLU A 47 -1.916 8.793 4.464 1.00 0.51 C ATOM 701 O GLU A 47 -2.632 8.263 5.318 1.00 0.54 O ATOM 702 CB GLU A 47 -2.794 10.183 2.558 1.00 0.80 C ATOM 703 CG GLU A 47 -4.159 10.543 3.181 1.00 0.82 C ATOM 704 CD GLU A 47 -4.500 12.029 3.235 1.00 1.35 C ATOM 705 OE1 GLU A 47 -3.705 12.867 2.771 1.00 1.71 O ATOM 706 OE2 GLU A 47 -5.539 12.379 3.846 1.00 2.45 O ATOM 0 H GLU A 47 -4.278 8.182 2.763 1.00 0.51 H new ATOM 0 HA GLU A 47 -1.428 8.510 2.387 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -2.055 10.926 2.856 1.00 0.80 H new ATOM 0 HB3 GLU A 47 -2.871 10.228 1.472 1.00 0.80 H new ATOM 0 HG2 GLU A 47 -4.939 10.032 2.617 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -4.188 10.147 4.196 1.00 0.82 H new ATOM 713 N THR A 48 -0.802 9.447 4.796 1.00 0.62 N ATOM 714 CA THR A 48 -0.369 9.746 6.164 1.00 0.74 C ATOM 715 C THR A 48 0.436 11.039 6.138 1.00 1.06 C ATOM 716 O THR A 48 1.348 11.186 5.331 1.00 1.08 O ATOM 717 CB THR A 48 0.425 8.582 6.756 1.00 0.89 C ATOM 718 OG1 THR A 48 -0.436 7.472 6.819 1.00 0.98 O ATOM 719 CG2 THR A 48 0.918 8.885 8.170 1.00 1.10 C ATOM 0 H THR A 48 -0.151 9.797 4.093 1.00 0.62 H new ATOM 0 HA THR A 48 -1.235 9.880 6.812 1.00 0.74 H new ATOM 0 HB THR A 48 1.297 8.398 6.128 1.00 0.89 H new ATOM 0 HG1 THR A 48 -1.306 7.711 6.436 1.00 0.98 H new ATOM 0 HG21 THR A 48 1.477 8.031 8.551 1.00 1.10 H new ATOM 0 HG22 THR A 48 1.565 9.762 8.150 1.00 1.10 H new ATOM 0 HG23 THR A 48 0.064 9.079 8.819 1.00 1.10 H new ATOM 727 N PHE A 49 0.054 12.006 6.976 1.00 1.56 N ATOM 728 CA PHE A 49 0.345 13.424 6.734 1.00 1.68 C ATOM 729 C PHE A 49 0.520 14.242 8.019 1.00 1.53 C ATOM 730 O PHE A 49 -0.034 13.917 9.064 1.00 1.37 O ATOM 731 CB PHE A 49 -0.806 14.006 5.895 1.00 1.73 C ATOM 732 CG PHE A 49 -2.177 13.781 6.512 1.00 1.55 C ATOM 733 CD1 PHE A 49 -2.626 14.575 7.581 1.00 2.19 C ATOM 734 CD2 PHE A 49 -2.973 12.712 6.072 1.00 2.29 C ATOM 735 CE1 PHE A 49 -3.863 14.329 8.193 1.00 2.04 C ATOM 736 CE2 PHE A 49 -4.211 12.464 6.678 1.00 2.38 C ATOM 737 CZ PHE A 49 -4.664 13.272 7.732 1.00 1.48 C ATOM 0 H PHE A 49 -0.463 11.831 7.838 1.00 1.56 H new ATOM 0 HA PHE A 49 1.299 13.486 6.210 1.00 1.68 H new ATOM 0 HB2 PHE A 49 -0.646 15.076 5.765 1.00 1.73 H new ATOM 0 HB3 PHE A 49 -0.785 13.557 4.902 1.00 1.73 H new ATOM 0 HD1 PHE A 49 -2.009 15.387 7.936 1.00 2.19 H new ATOM 0 HD2 PHE A 49 -2.631 12.080 5.266 1.00 2.29 H new ATOM 0 HE1 PHE A 49 -4.197 14.948 9.013 1.00 2.04 H new ATOM 0 HE2 PHE A 49 -4.822 11.644 6.331 1.00 2.38 H new ATOM 0 HZ PHE A 49 -5.625 13.082 8.187 1.00 1.48 H new ATOM 747 N MET A 50 1.234 15.371 7.910 1.00 1.66 N ATOM 748 CA MET A 50 1.477 16.348 8.989 1.00 1.71 C ATOM 749 C MET A 50 0.681 17.641 8.782 1.00 1.77 C ATOM 750 O MET A 50 1.232 18.737 8.618 1.00 2.95 O ATOM 751 CB MET A 50 2.979 16.612 9.149 1.00 1.98 C ATOM 752 CG MET A 50 3.631 15.385 9.774 1.00 3.47 C ATOM 753 SD MET A 50 5.344 15.656 10.292 1.00 4.31 S ATOM 754 CE MET A 50 6.176 15.510 8.690 1.00 4.44 C ATOM 0 H MET A 50 1.678 15.643 7.033 1.00 1.66 H new ATOM 0 HA MET A 50 1.115 15.915 9.922 1.00 1.71 H new ATOM 0 HB2 MET A 50 3.430 16.826 8.180 1.00 1.98 H new ATOM 0 HB3 MET A 50 3.143 17.488 9.777 1.00 1.98 H new ATOM 0 HG2 MET A 50 3.044 15.073 10.638 1.00 3.47 H new ATOM 0 HG3 MET A 50 3.603 14.565 9.057 1.00 3.47 H new ATOM 0 HE1 MET A 50 7.249 15.651 8.823 1.00 4.44 H new ATOM 0 HE2 MET A 50 5.989 14.521 8.272 1.00 4.44 H new ATOM 0 HE3 MET A 50 5.792 16.270 8.010 1.00 4.44 H new ATOM 764 N ARG A 51 -0.642 17.493 8.788 1.00 1.28 N ATOM 765 CA ARG A 51 -1.583 18.619 8.665 1.00 1.37 C ATOM 766 C ARG A 51 -1.744 19.354 10.003 1.00 1.30 C ATOM 767 O ARG A 51 -1.488 18.790 11.068 1.00 1.28 O ATOM 768 CB ARG A 51 -2.951 18.164 8.117 1.00 1.58 C ATOM 769 CG ARG A 51 -2.900 17.853 6.614 1.00 3.04 C ATOM 770 CD ARG A 51 -4.277 17.436 6.079 1.00 3.25 C ATOM 771 NE ARG A 51 -4.175 17.010 4.670 1.00 4.88 N ATOM 772 CZ ARG A 51 -4.473 15.815 4.163 1.00 5.93 C ATOM 773 NH1 ARG A 51 -5.027 14.861 4.870 1.00 5.83 N ATOM 774 NH2 ARG A 51 -4.186 15.531 2.918 1.00 7.48 N ATOM 0 H ARG A 51 -1.100 16.586 8.879 1.00 1.28 H new ATOM 0 HA ARG A 51 -1.159 19.317 7.944 1.00 1.37 H new ATOM 0 HB2 ARG A 51 -3.281 17.277 8.659 1.00 1.58 H new ATOM 0 HB3 ARG A 51 -3.691 18.943 8.300 1.00 1.58 H new ATOM 0 HG2 ARG A 51 -2.548 18.731 6.072 1.00 3.04 H new ATOM 0 HG3 ARG A 51 -2.180 17.055 6.431 1.00 3.04 H new ATOM 0 HD2 ARG A 51 -4.678 16.622 6.683 1.00 3.25 H new ATOM 0 HD3 ARG A 51 -4.975 18.269 6.164 1.00 3.25 H new ATOM 0 HE ARG A 51 -3.838 17.710 4.009 1.00 4.88 H new ATOM 0 HH11 ARG A 51 -5.249 15.018 5.853 1.00 5.83 H new ATOM 0 HH12 ARG A 51 -5.237 13.962 4.437 1.00 5.83 H new ATOM 0 HH21 ARG A 51 -3.731 16.227 2.328 1.00 7.48 H new ATOM 0 HH22 ARG A 51 -4.418 14.613 2.538 1.00 7.48 H new ATOM 788 N GLU A 52 -2.144 20.621 9.917 1.00 1.37 N ATOM 789 CA GLU A 52 -2.775 21.362 11.009 1.00 1.42 C ATOM 790 C GLU A 52 -4.248 20.903 11.115 1.00 1.82 C ATOM 791 O GLU A 52 -4.715 20.163 10.247 1.00 2.27 O ATOM 792 CB GLU A 52 -2.491 22.858 10.761 1.00 1.55 C ATOM 793 CG GLU A 52 -2.817 23.784 11.900 1.00 2.32 C ATOM 794 CD GLU A 52 -4.168 24.430 11.687 1.00 4.59 C ATOM 795 OE1 GLU A 52 -4.228 25.446 10.978 1.00 5.65 O ATOM 796 OE2 GLU A 52 -5.109 23.856 12.260 1.00 5.99 O ATOM 0 H GLU A 52 -2.036 21.174 9.067 1.00 1.37 H new ATOM 0 HA GLU A 52 -2.375 21.165 12.004 1.00 1.42 H new ATOM 0 HB2 GLU A 52 -1.435 22.972 10.516 1.00 1.55 H new ATOM 0 HB3 GLU A 52 -3.058 23.176 9.886 1.00 1.55 H new ATOM 0 HG2 GLU A 52 -2.816 23.230 12.839 1.00 2.32 H new ATOM 0 HG3 GLU A 52 -2.049 24.553 11.983 1.00 2.32 H new ATOM 803 N VAL A 53 -4.907 21.219 12.227 1.00 1.95 N ATOM 804 CA VAL A 53 -6.188 20.637 12.698 1.00 2.42 C ATOM 805 C VAL A 53 -6.910 21.598 13.656 1.00 2.83 C ATOM 806 O VAL A 53 -8.132 21.731 13.651 1.00 4.07 O ATOM 807 CB VAL A 53 -5.970 19.283 13.430 1.00 2.27 C ATOM 808 CG1 VAL A 53 -7.294 18.649 13.903 1.00 2.93 C ATOM 809 CG2 VAL A 53 -5.242 18.216 12.589 1.00 3.19 C ATOM 0 H VAL A 53 -4.552 21.927 12.869 1.00 1.95 H new ATOM 0 HA VAL A 53 -6.798 20.470 11.810 1.00 2.42 H new ATOM 0 HB VAL A 53 -5.342 19.560 14.277 1.00 2.27 H new ATOM 0 HG11 VAL A 53 -7.086 17.706 14.408 1.00 2.93 H new ATOM 0 HG12 VAL A 53 -7.796 19.327 14.593 1.00 2.93 H new ATOM 0 HG13 VAL A 53 -7.937 18.466 13.043 1.00 2.93 H new ATOM 0 HG21 VAL A 53 -5.132 17.304 13.175 1.00 3.19 H new ATOM 0 HG22 VAL A 53 -5.822 18.002 11.691 1.00 3.19 H new ATOM 0 HG23 VAL A 53 -4.257 18.586 12.305 1.00 3.19 H new ATOM 819 N GLU A 54 -6.101 22.236 14.494 1.00 2.36 N ATOM 820 CA GLU A 54 -6.438 23.107 15.615 1.00 2.57 C ATOM 821 C GLU A 54 -5.203 23.994 15.921 1.00 2.31 C ATOM 822 O GLU A 54 -4.727 24.080 17.050 1.00 2.51 O ATOM 823 CB GLU A 54 -6.830 22.169 16.766 1.00 2.97 C ATOM 824 CG GLU A 54 -7.455 22.819 17.992 1.00 3.04 C ATOM 825 CD GLU A 54 -7.389 21.805 19.127 1.00 3.58 C ATOM 826 OE1 GLU A 54 -7.988 20.713 19.009 1.00 5.06 O ATOM 827 OE2 GLU A 54 -6.545 21.972 20.036 1.00 3.15 O ATOM 0 H GLU A 54 -5.090 22.147 14.395 1.00 2.36 H new ATOM 0 HA GLU A 54 -7.266 23.789 15.423 1.00 2.57 H new ATOM 0 HB2 GLU A 54 -7.530 21.429 16.379 1.00 2.97 H new ATOM 0 HB3 GLU A 54 -5.938 21.629 17.084 1.00 2.97 H new ATOM 0 HG2 GLU A 54 -6.919 23.730 18.259 1.00 3.04 H new ATOM 0 HG3 GLU A 54 -8.488 23.104 17.791 1.00 3.04 H new ATOM 834 N GLY A 55 -4.544 24.485 14.862 1.00 2.03 N ATOM 835 CA GLY A 55 -3.193 25.086 14.816 1.00 1.95 C ATOM 836 C GLY A 55 -2.051 24.136 15.193 1.00 1.83 C ATOM 837 O GLY A 55 -0.905 24.342 14.793 1.00 2.04 O ATOM 0 H GLY A 55 -4.973 24.474 13.937 1.00 2.03 H new ATOM 0 HA2 GLY A 55 -3.014 25.465 13.810 1.00 1.95 H new ATOM 0 HA3 GLY A 55 -3.170 25.944 15.488 1.00 1.95 H new ATOM 841 N LYS A 56 -2.352 23.038 15.882 1.00 1.68 N ATOM 842 CA LYS A 56 -1.417 21.992 16.242 1.00 1.69 C ATOM 843 C LYS A 56 -1.250 21.021 15.072 1.00 1.52 C ATOM 844 O LYS A 56 -2.222 20.620 14.428 1.00 1.47 O ATOM 845 CB LYS A 56 -1.902 21.341 17.546 1.00 1.81 C ATOM 846 CG LYS A 56 -3.148 20.447 17.421 1.00 3.67 C ATOM 847 CD LYS A 56 -3.792 20.220 18.796 1.00 3.96 C ATOM 848 CE LYS A 56 -5.036 19.332 18.683 1.00 5.41 C ATOM 849 NZ LYS A 56 -5.848 19.378 19.921 1.00 5.25 N ATOM 0 H LYS A 56 -3.297 22.851 16.216 1.00 1.68 H new ATOM 0 HA LYS A 56 -0.419 22.386 16.435 1.00 1.69 H new ATOM 0 HB2 LYS A 56 -1.088 20.743 17.957 1.00 1.81 H new ATOM 0 HB3 LYS A 56 -2.114 22.130 18.268 1.00 1.81 H new ATOM 0 HG2 LYS A 56 -3.869 20.911 16.748 1.00 3.67 H new ATOM 0 HG3 LYS A 56 -2.872 19.489 16.980 1.00 3.67 H new ATOM 0 HD2 LYS A 56 -3.070 19.755 19.467 1.00 3.96 H new ATOM 0 HD3 LYS A 56 -4.065 21.179 19.236 1.00 3.96 H new ATOM 0 HE2 LYS A 56 -5.641 19.657 17.837 1.00 5.41 H new ATOM 0 HE3 LYS A 56 -4.734 18.304 18.482 1.00 5.41 H new ATOM 0 HZ1 LYS A 56 -6.852 19.245 19.683 1.00 5.25 H new ATOM 0 HZ2 LYS A 56 -5.542 18.621 20.565 1.00 5.25 H new ATOM 0 HZ3 LYS A 56 -5.721 20.300 20.385 1.00 5.25 H new ATOM 863 N LYS A 57 -0.008 20.650 14.762 1.00 1.53 N ATOM 864 CA LYS A 57 0.269 19.765 13.628 1.00 1.43 C ATOM 865 C LYS A 57 0.220 18.291 14.059 1.00 1.31 C ATOM 866 O LYS A 57 0.976 17.882 14.934 1.00 1.52 O ATOM 867 CB LYS A 57 1.583 20.162 12.939 1.00 1.68 C ATOM 868 CG LYS A 57 1.530 21.630 12.467 1.00 2.68 C ATOM 869 CD LYS A 57 2.558 21.953 11.379 1.00 3.18 C ATOM 870 CE LYS A 57 2.131 21.305 10.056 1.00 3.78 C ATOM 871 NZ LYS A 57 3.066 21.605 8.949 1.00 4.44 N ATOM 0 H LYS A 57 0.821 20.947 15.278 1.00 1.53 H new ATOM 0 HA LYS A 57 -0.515 19.884 12.880 1.00 1.43 H new ATOM 0 HB2 LYS A 57 2.416 20.026 13.629 1.00 1.68 H new ATOM 0 HB3 LYS A 57 1.765 19.507 12.087 1.00 1.68 H new ATOM 0 HG2 LYS A 57 0.531 21.847 12.089 1.00 2.68 H new ATOM 0 HG3 LYS A 57 1.697 22.286 13.322 1.00 2.68 H new ATOM 0 HD2 LYS A 57 2.644 23.033 11.255 1.00 3.18 H new ATOM 0 HD3 LYS A 57 3.541 21.587 11.674 1.00 3.18 H new ATOM 0 HE2 LYS A 57 2.065 20.225 10.189 1.00 3.78 H new ATOM 0 HE3 LYS A 57 1.134 21.655 9.789 1.00 3.78 H new ATOM 0 HZ1 LYS A 57 2.732 21.144 8.078 1.00 4.44 H new ATOM 0 HZ2 LYS A 57 3.111 22.633 8.801 1.00 4.44 H new ATOM 0 HZ3 LYS A 57 4.013 21.248 9.188 1.00 4.44 H new ATOM 885 N VAL A 58 -0.674 17.514 13.449 1.00 1.19 N ATOM 886 CA VAL A 58 -1.000 16.129 13.829 1.00 1.14 C ATOM 887 C VAL A 58 -0.544 15.164 12.732 1.00 1.18 C ATOM 888 O VAL A 58 -0.687 15.473 11.548 1.00 1.35 O ATOM 889 CB VAL A 58 -2.521 15.977 14.081 1.00 1.36 C ATOM 890 CG1 VAL A 58 -2.923 14.548 14.479 1.00 1.76 C ATOM 891 CG2 VAL A 58 -2.996 16.940 15.187 1.00 1.54 C ATOM 0 H VAL A 58 -1.214 17.838 12.647 1.00 1.19 H new ATOM 0 HA VAL A 58 -0.474 15.888 14.753 1.00 1.14 H new ATOM 0 HB VAL A 58 -3.001 16.218 13.133 1.00 1.36 H new ATOM 0 HG11 VAL A 58 -4.000 14.505 14.642 1.00 1.76 H new ATOM 0 HG12 VAL A 58 -2.649 13.857 13.681 1.00 1.76 H new ATOM 0 HG13 VAL A 58 -2.406 14.267 15.396 1.00 1.76 H new ATOM 0 HG21 VAL A 58 -4.067 16.813 15.344 1.00 1.54 H new ATOM 0 HG22 VAL A 58 -2.465 16.721 16.113 1.00 1.54 H new ATOM 0 HG23 VAL A 58 -2.793 17.968 14.887 1.00 1.54 H new ATOM 901 N MET A 59 -0.027 13.993 13.131 1.00 1.31 N ATOM 902 CA MET A 59 0.176 12.831 12.252 1.00 1.56 C ATOM 903 C MET A 59 -1.148 12.072 12.081 1.00 1.42 C ATOM 904 O MET A 59 -1.527 11.284 12.945 1.00 1.88 O ATOM 905 CB MET A 59 1.266 11.910 12.834 1.00 1.85 C ATOM 906 CG MET A 59 2.683 12.445 12.580 1.00 2.46 C ATOM 907 SD MET A 59 3.600 11.655 11.223 1.00 3.16 S ATOM 908 CE MET A 59 2.460 11.844 9.833 1.00 4.28 C ATOM 0 H MET A 59 0.268 13.823 14.093 1.00 1.31 H new ATOM 0 HA MET A 59 0.508 13.174 11.272 1.00 1.56 H new ATOM 0 HB2 MET A 59 1.109 11.800 13.907 1.00 1.85 H new ATOM 0 HB3 MET A 59 1.171 10.917 12.394 1.00 1.85 H new ATOM 0 HG2 MET A 59 2.615 13.513 12.373 1.00 2.46 H new ATOM 0 HG3 MET A 59 3.262 12.334 13.497 1.00 2.46 H new ATOM 0 HE1 MET A 59 2.948 11.516 8.915 1.00 4.28 H new ATOM 0 HE2 MET A 59 1.570 11.239 10.007 1.00 4.28 H new ATOM 0 HE3 MET A 59 2.174 12.891 9.737 1.00 4.28 H new ATOM 918 N GLY A 60 -1.866 12.338 10.986 1.00 1.06 N ATOM 919 CA GLY A 60 -3.169 11.728 10.676 1.00 0.99 C ATOM 920 C GLY A 60 -3.139 10.883 9.406 1.00 0.91 C ATOM 921 O GLY A 60 -2.184 10.960 8.637 1.00 1.25 O ATOM 0 H GLY A 60 -1.554 12.997 10.273 1.00 1.06 H new ATOM 0 HA2 GLY A 60 -3.482 11.105 11.514 1.00 0.99 H new ATOM 0 HA3 GLY A 60 -3.916 12.514 10.566 1.00 0.99 H new ATOM 925 N MET A 61 -4.199 10.101 9.176 1.00 0.77 N ATOM 926 CA MET A 61 -4.346 9.171 8.043 1.00 0.68 C ATOM 927 C MET A 61 -5.778 9.210 7.484 1.00 0.63 C ATOM 928 O MET A 61 -6.710 9.536 8.222 1.00 0.74 O ATOM 929 CB MET A 61 -4.008 7.726 8.469 1.00 0.78 C ATOM 930 CG MET A 61 -2.687 7.598 9.240 1.00 1.05 C ATOM 931 SD MET A 61 -2.816 7.893 11.026 1.00 1.71 S ATOM 932 CE MET A 61 -1.077 8.223 11.387 1.00 2.18 C ATOM 0 H MET A 61 -5.010 10.096 9.795 1.00 0.77 H new ATOM 0 HA MET A 61 -3.649 9.489 7.268 1.00 0.68 H new ATOM 0 HB2 MET A 61 -4.818 7.342 9.089 1.00 0.78 H new ATOM 0 HB3 MET A 61 -3.961 7.097 7.580 1.00 0.78 H new ATOM 0 HG2 MET A 61 -2.284 6.598 9.079 1.00 1.05 H new ATOM 0 HG3 MET A 61 -1.968 8.302 8.821 1.00 1.05 H new ATOM 0 HE1 MET A 61 -0.922 8.217 12.466 1.00 2.18 H new ATOM 0 HE2 MET A 61 -0.457 7.453 10.927 1.00 2.18 H new ATOM 0 HE3 MET A 61 -0.801 9.198 10.986 1.00 2.18 H new ATOM 942 N ARG A 62 -5.956 8.881 6.194 1.00 0.57 N ATOM 943 CA ARG A 62 -7.252 8.771 5.481 1.00 0.50 C ATOM 944 C ARG A 62 -7.088 7.952 4.190 1.00 0.45 C ATOM 945 O ARG A 62 -6.012 8.043 3.602 1.00 0.46 O ATOM 946 CB ARG A 62 -7.799 10.136 5.012 1.00 0.62 C ATOM 947 CG ARG A 62 -7.929 11.227 6.075 1.00 1.59 C ATOM 948 CD ARG A 62 -8.610 12.483 5.521 1.00 1.84 C ATOM 949 NE ARG A 62 -10.077 12.322 5.439 1.00 3.07 N ATOM 950 CZ ARG A 62 -10.920 12.279 6.469 1.00 4.70 C ATOM 951 NH1 ARG A 62 -10.501 12.382 7.714 1.00 5.64 N ATOM 952 NH2 ARG A 62 -12.210 12.129 6.263 1.00 6.08 N ATOM 0 H ARG A 62 -5.165 8.673 5.585 1.00 0.57 H new ATOM 0 HA ARG A 62 -7.930 8.310 6.199 1.00 0.50 H new ATOM 0 HB2 ARG A 62 -7.149 10.509 4.220 1.00 0.62 H new ATOM 0 HB3 ARG A 62 -8.782 9.974 4.569 1.00 0.62 H new ATOM 0 HG2 ARG A 62 -8.503 10.845 6.920 1.00 1.59 H new ATOM 0 HG3 ARG A 62 -6.940 11.486 6.453 1.00 1.59 H new ATOM 0 HD2 ARG A 62 -8.373 13.336 6.158 1.00 1.84 H new ATOM 0 HD3 ARG A 62 -8.213 12.705 4.530 1.00 1.84 H new ATOM 0 HE ARG A 62 -10.481 12.236 4.507 1.00 3.07 H new ATOM 0 HH11 ARG A 62 -9.507 12.498 7.909 1.00 5.64 H new ATOM 0 HH12 ARG A 62 -11.171 12.346 8.482 1.00 5.64 H new ATOM 0 HH21 ARG A 62 -12.568 12.045 5.312 1.00 6.08 H new ATOM 0 HH22 ARG A 62 -12.852 12.097 7.055 1.00 6.08 H new ATOM 966 N PRO A 63 -8.122 7.256 3.673 1.00 0.46 N ATOM 967 CA PRO A 63 -8.104 6.720 2.312 1.00 0.45 C ATOM 968 C PRO A 63 -8.105 7.839 1.263 1.00 0.44 C ATOM 969 O PRO A 63 -8.757 8.867 1.446 1.00 0.45 O ATOM 970 CB PRO A 63 -9.312 5.793 2.185 1.00 0.50 C ATOM 971 CG PRO A 63 -10.263 6.306 3.251 1.00 0.54 C ATOM 972 CD PRO A 63 -9.382 6.947 4.325 1.00 0.51 C ATOM 0 HA PRO A 63 -7.187 6.161 2.126 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -9.756 5.846 1.191 1.00 0.50 H new ATOM 0 HB3 PRO A 63 -9.039 4.752 2.357 1.00 0.50 H new ATOM 0 HG2 PRO A 63 -10.962 7.032 2.835 1.00 0.54 H new ATOM 0 HG3 PRO A 63 -10.858 5.493 3.668 1.00 0.54 H new ATOM 0 HD2 PRO A 63 -9.847 7.848 4.725 1.00 0.51 H new ATOM 0 HD3 PRO A 63 -9.232 6.267 5.164 1.00 0.51 H new ATOM 980 N VAL A 64 -7.380 7.608 0.164 1.00 0.48 N ATOM 981 CA VAL A 64 -7.325 8.464 -1.038 1.00 0.47 C ATOM 982 C VAL A 64 -7.952 7.751 -2.247 1.00 0.46 C ATOM 983 O VAL A 64 -7.992 6.518 -2.266 1.00 0.45 O ATOM 984 CB VAL A 64 -5.875 8.869 -1.408 1.00 0.47 C ATOM 985 CG1 VAL A 64 -5.402 10.025 -0.522 1.00 0.57 C ATOM 986 CG2 VAL A 64 -4.865 7.717 -1.336 1.00 0.49 C ATOM 0 H VAL A 64 -6.786 6.783 0.078 1.00 0.48 H new ATOM 0 HA VAL A 64 -7.889 9.364 -0.795 1.00 0.47 H new ATOM 0 HB VAL A 64 -5.914 9.180 -2.452 1.00 0.47 H new ATOM 0 HG11 VAL A 64 -4.382 10.298 -0.794 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -6.058 10.884 -0.664 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -5.429 9.717 0.523 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -3.875 8.083 -1.609 1.00 0.49 H new ATOM 0 HG22 VAL A 64 -4.838 7.320 -0.321 1.00 0.49 H new ATOM 0 HG23 VAL A 64 -5.163 6.928 -2.026 1.00 0.49 H new ATOM 996 N PRO A 65 -8.405 8.493 -3.278 1.00 0.49 N ATOM 997 CA PRO A 65 -8.939 7.903 -4.501 1.00 0.52 C ATOM 998 C PRO A 65 -7.870 7.245 -5.385 1.00 0.46 C ATOM 999 O PRO A 65 -8.252 6.493 -6.278 1.00 0.46 O ATOM 1000 CB PRO A 65 -9.642 9.055 -5.226 1.00 0.59 C ATOM 1001 CG PRO A 65 -8.846 10.280 -4.787 1.00 0.59 C ATOM 1002 CD PRO A 65 -8.502 9.948 -3.338 1.00 0.54 C ATOM 0 HA PRO A 65 -9.618 7.084 -4.264 1.00 0.52 H new ATOM 0 HB2 PRO A 65 -9.617 8.925 -6.308 1.00 0.59 H new ATOM 0 HB3 PRO A 65 -10.691 9.132 -4.938 1.00 0.59 H new ATOM 0 HG2 PRO A 65 -7.952 10.422 -5.394 1.00 0.59 H new ATOM 0 HG3 PRO A 65 -9.433 11.195 -4.865 1.00 0.59 H new ATOM 0 HD2 PRO A 65 -7.563 10.415 -3.042 1.00 0.54 H new ATOM 0 HD3 PRO A 65 -9.270 10.317 -2.659 1.00 0.54 H new ATOM 1010 N PHE A 66 -6.566 7.499 -5.158 1.00 0.47 N ATOM 1011 CA PHE A 66 -5.434 6.942 -5.899 1.00 0.47 C ATOM 1012 C PHE A 66 -4.114 7.463 -5.308 1.00 0.52 C ATOM 1013 O PHE A 66 -4.083 8.466 -4.596 1.00 0.58 O ATOM 1014 CB PHE A 66 -5.524 7.216 -7.421 1.00 0.50 C ATOM 1015 CG PHE A 66 -5.618 8.673 -7.836 1.00 0.56 C ATOM 1016 CD1 PHE A 66 -4.450 9.435 -8.028 1.00 2.20 C ATOM 1017 CD2 PHE A 66 -6.878 9.260 -8.064 1.00 1.83 C ATOM 1018 CE1 PHE A 66 -4.543 10.780 -8.429 1.00 2.24 C ATOM 1019 CE2 PHE A 66 -6.970 10.607 -8.455 1.00 1.86 C ATOM 1020 CZ PHE A 66 -5.802 11.367 -8.636 1.00 0.77 C ATOM 0 H PHE A 66 -6.267 8.130 -4.415 1.00 0.47 H new ATOM 0 HA PHE A 66 -5.467 5.858 -5.788 1.00 0.47 H new ATOM 0 HB2 PHE A 66 -4.648 6.779 -7.900 1.00 0.50 H new ATOM 0 HB3 PHE A 66 -6.396 6.692 -7.812 1.00 0.50 H new ATOM 0 HD1 PHE A 66 -3.481 8.986 -7.867 1.00 2.20 H new ATOM 0 HD2 PHE A 66 -7.776 8.673 -7.938 1.00 1.83 H new ATOM 0 HE1 PHE A 66 -3.645 11.362 -8.578 1.00 2.24 H new ATOM 0 HE2 PHE A 66 -7.938 11.058 -8.616 1.00 1.86 H new ATOM 0 HZ PHE A 66 -5.872 12.403 -8.934 1.00 0.77 H new ATOM 1030 N LEU A 67 -3.021 6.805 -5.690 1.00 0.53 N ATOM 1031 CA LEU A 67 -1.666 7.344 -5.706 1.00 0.57 C ATOM 1032 C LEU A 67 -1.176 7.444 -7.155 1.00 0.56 C ATOM 1033 O LEU A 67 -1.766 6.831 -8.044 1.00 0.58 O ATOM 1034 CB LEU A 67 -0.739 6.418 -4.894 1.00 0.58 C ATOM 1035 CG LEU A 67 -0.163 7.079 -3.636 1.00 0.65 C ATOM 1036 CD1 LEU A 67 0.811 6.065 -3.021 1.00 1.06 C ATOM 1037 CD2 LEU A 67 0.628 8.368 -3.930 1.00 0.88 C ATOM 0 H LEU A 67 -3.060 5.838 -6.011 1.00 0.53 H new ATOM 0 HA LEU A 67 -1.657 8.338 -5.258 1.00 0.57 H new ATOM 0 HB2 LEU A 67 -1.293 5.525 -4.604 1.00 0.58 H new ATOM 0 HB3 LEU A 67 0.082 6.090 -5.531 1.00 0.58 H new ATOM 0 HG LEU A 67 -0.991 7.352 -2.982 1.00 0.65 H new ATOM 0 HD11 LEU A 67 1.252 6.486 -2.118 1.00 1.06 H new ATOM 0 HD12 LEU A 67 0.274 5.150 -2.770 1.00 1.06 H new ATOM 0 HD13 LEU A 67 1.600 5.837 -3.738 1.00 1.06 H new ATOM 0 HD21 LEU A 67 1.007 8.783 -2.996 1.00 0.88 H new ATOM 0 HD22 LEU A 67 1.464 8.139 -4.591 1.00 0.88 H new ATOM 0 HD23 LEU A 67 -0.027 9.095 -4.411 1.00 0.88 H new ATOM 1049 N GLU A 68 -0.066 8.142 -7.400 1.00 0.60 N ATOM 1050 CA GLU A 68 0.543 8.198 -8.733 1.00 0.65 C ATOM 1051 C GLU A 68 2.005 8.640 -8.722 1.00 0.77 C ATOM 1052 O GLU A 68 2.511 9.148 -7.724 1.00 0.87 O ATOM 1053 CB GLU A 68 -0.326 8.983 -9.732 1.00 0.68 C ATOM 1054 CG GLU A 68 -0.172 10.499 -9.814 1.00 0.84 C ATOM 1055 CD GLU A 68 -1.249 11.027 -10.773 1.00 1.11 C ATOM 1056 OE1 GLU A 68 -1.602 10.320 -11.745 1.00 1.97 O ATOM 1057 OE2 GLU A 68 -1.846 12.089 -10.510 1.00 2.08 O ATOM 0 H GLU A 68 0.433 8.679 -6.690 1.00 0.60 H new ATOM 0 HA GLU A 68 0.574 7.170 -9.094 1.00 0.65 H new ATOM 0 HB2 GLU A 68 -0.133 8.578 -10.725 1.00 0.68 H new ATOM 0 HB3 GLU A 68 -1.369 8.770 -9.499 1.00 0.68 H new ATOM 0 HG2 GLU A 68 -0.285 10.949 -8.828 1.00 0.84 H new ATOM 0 HG3 GLU A 68 0.823 10.763 -10.173 1.00 0.84 H new ATOM 1064 N VAL A 69 2.676 8.383 -9.841 1.00 0.84 N ATOM 1065 CA VAL A 69 4.122 8.493 -10.010 1.00 0.99 C ATOM 1066 C VAL A 69 4.429 8.933 -11.447 1.00 0.97 C ATOM 1067 O VAL A 69 3.790 8.427 -12.376 1.00 0.95 O ATOM 1068 CB VAL A 69 4.837 7.134 -9.758 1.00 1.14 C ATOM 1069 CG1 VAL A 69 6.342 7.304 -9.474 1.00 1.35 C ATOM 1070 CG2 VAL A 69 4.243 6.318 -8.599 1.00 1.12 C ATOM 0 H VAL A 69 2.206 8.079 -10.693 1.00 0.84 H new ATOM 0 HA VAL A 69 4.486 9.221 -9.285 1.00 0.99 H new ATOM 0 HB VAL A 69 4.680 6.591 -10.690 1.00 1.14 H new ATOM 0 HG11 VAL A 69 6.793 6.326 -9.305 1.00 1.35 H new ATOM 0 HG12 VAL A 69 6.822 7.782 -10.328 1.00 1.35 H new ATOM 0 HG13 VAL A 69 6.477 7.924 -8.588 1.00 1.35 H new ATOM 0 HG21 VAL A 69 4.797 5.386 -8.489 1.00 1.12 H new ATOM 0 HG22 VAL A 69 4.313 6.893 -7.676 1.00 1.12 H new ATOM 0 HG23 VAL A 69 3.197 6.096 -8.809 1.00 1.12 H new ATOM 1080 N PRO A 70 5.409 9.829 -11.665 1.00 1.00 N ATOM 1081 CA PRO A 70 5.918 10.121 -13.000 1.00 0.94 C ATOM 1082 C PRO A 70 6.649 8.901 -13.596 1.00 0.89 C ATOM 1083 O PRO A 70 6.932 7.934 -12.884 1.00 0.92 O ATOM 1084 CB PRO A 70 6.855 11.322 -12.818 1.00 0.98 C ATOM 1085 CG PRO A 70 7.354 11.173 -11.385 1.00 1.05 C ATOM 1086 CD PRO A 70 6.134 10.606 -10.665 1.00 1.10 C ATOM 0 HA PRO A 70 5.118 10.348 -13.704 1.00 0.94 H new ATOM 0 HB2 PRO A 70 7.677 11.301 -13.533 1.00 0.98 H new ATOM 0 HB3 PRO A 70 6.330 12.266 -12.964 1.00 0.98 H new ATOM 0 HG2 PRO A 70 8.210 10.502 -11.322 1.00 1.05 H new ATOM 0 HG3 PRO A 70 7.666 12.128 -10.963 1.00 1.05 H new ATOM 0 HD2 PRO A 70 6.432 9.980 -9.824 1.00 1.10 H new ATOM 0 HD3 PRO A 70 5.511 11.405 -10.263 1.00 1.10 H new ATOM 1094 N PRO A 71 6.986 8.941 -14.898 1.00 0.86 N ATOM 1095 CA PRO A 71 7.856 7.952 -15.517 1.00 0.84 C ATOM 1096 C PRO A 71 9.247 7.940 -14.882 1.00 0.87 C ATOM 1097 O PRO A 71 9.737 8.965 -14.411 1.00 0.93 O ATOM 1098 CB PRO A 71 7.882 8.292 -17.004 1.00 0.84 C ATOM 1099 CG PRO A 71 7.422 9.740 -17.104 1.00 0.89 C ATOM 1100 CD PRO A 71 6.565 9.945 -15.863 1.00 0.88 C ATOM 0 HA PRO A 71 7.483 6.939 -15.365 1.00 0.84 H new ATOM 0 HB2 PRO A 71 8.884 8.170 -17.416 1.00 0.84 H new ATOM 0 HB3 PRO A 71 7.223 7.632 -17.568 1.00 0.84 H new ATOM 0 HG2 PRO A 71 8.268 10.427 -17.122 1.00 0.89 H new ATOM 0 HG3 PRO A 71 6.851 9.915 -18.016 1.00 0.89 H new ATOM 0 HD2 PRO A 71 6.699 10.949 -15.461 1.00 0.88 H new ATOM 0 HD3 PRO A 71 5.507 9.835 -16.100 1.00 0.88 H new ATOM 1108 N LYS A 72 9.875 6.758 -14.865 1.00 0.85 N ATOM 1109 CA LYS A 72 11.245 6.489 -14.373 1.00 0.88 C ATOM 1110 C LYS A 72 11.403 6.630 -12.840 1.00 0.88 C ATOM 1111 O LYS A 72 12.499 6.461 -12.304 1.00 0.96 O ATOM 1112 CB LYS A 72 12.294 7.323 -15.134 1.00 0.97 C ATOM 1113 CG LYS A 72 12.009 7.548 -16.627 1.00 1.41 C ATOM 1114 CD LYS A 72 11.701 6.302 -17.476 1.00 1.41 C ATOM 1115 CE LYS A 72 12.938 5.499 -17.880 1.00 1.63 C ATOM 1116 NZ LYS A 72 12.557 4.421 -18.824 1.00 1.64 N ATOM 0 H LYS A 72 9.422 5.913 -15.212 1.00 0.85 H new ATOM 0 HA LYS A 72 11.430 5.436 -14.586 1.00 0.88 H new ATOM 0 HB2 LYS A 72 12.380 8.295 -14.649 1.00 0.97 H new ATOM 0 HB3 LYS A 72 13.262 6.831 -15.038 1.00 0.97 H new ATOM 0 HG2 LYS A 72 11.165 8.232 -16.711 1.00 1.41 H new ATOM 0 HG3 LYS A 72 12.872 8.051 -17.064 1.00 1.41 H new ATOM 0 HD2 LYS A 72 11.026 5.653 -16.918 1.00 1.41 H new ATOM 0 HD3 LYS A 72 11.172 6.612 -18.377 1.00 1.41 H new ATOM 0 HE2 LYS A 72 13.673 6.157 -18.344 1.00 1.63 H new ATOM 0 HE3 LYS A 72 13.408 5.070 -16.995 1.00 1.63 H new ATOM 0 HZ1 LYS A 72 13.262 3.658 -18.782 1.00 1.64 H new ATOM 0 HZ2 LYS A 72 11.623 4.045 -18.563 1.00 1.64 H new ATOM 0 HZ3 LYS A 72 12.518 4.804 -19.790 1.00 1.64 H new ATOM 1130 N GLY A 73 10.316 6.983 -12.147 1.00 0.88 N ATOM 1131 CA GLY A 73 10.260 7.334 -10.734 1.00 0.97 C ATOM 1132 C GLY A 73 10.061 6.157 -9.787 1.00 0.98 C ATOM 1133 O GLY A 73 10.160 4.983 -10.142 1.00 1.45 O ATOM 0 H GLY A 73 9.398 7.033 -12.589 1.00 0.88 H new ATOM 0 HA2 GLY A 73 11.184 7.846 -10.465 1.00 0.97 H new ATOM 0 HA3 GLY A 73 9.447 8.044 -10.583 1.00 0.97 H new ATOM 1137 N ARG A 74 9.781 6.537 -8.544 1.00 1.57 N ATOM 1138 CA ARG A 74 9.631 5.675 -7.368 1.00 1.56 C ATOM 1139 C ARG A 74 9.024 6.459 -6.198 1.00 1.62 C ATOM 1140 O ARG A 74 9.349 7.629 -6.023 1.00 1.79 O ATOM 1141 CB ARG A 74 10.996 5.026 -7.012 1.00 1.72 C ATOM 1142 CG ARG A 74 11.102 4.443 -5.589 1.00 2.11 C ATOM 1143 CD ARG A 74 12.470 3.813 -5.283 1.00 2.07 C ATOM 1144 NE ARG A 74 12.615 3.642 -3.832 1.00 3.48 N ATOM 1145 CZ ARG A 74 13.197 2.671 -3.144 1.00 4.04 C ATOM 1146 NH1 ARG A 74 13.907 1.693 -3.655 1.00 3.61 N ATOM 1147 NH2 ARG A 74 13.035 2.661 -1.850 1.00 5.62 N ATOM 0 H ARG A 74 9.643 7.521 -8.312 1.00 1.57 H new ATOM 0 HA ARG A 74 8.936 4.866 -7.593 1.00 1.56 H new ATOM 0 HB2 ARG A 74 11.198 4.229 -7.728 1.00 1.72 H new ATOM 0 HB3 ARG A 74 11.778 5.774 -7.139 1.00 1.72 H new ATOM 0 HG2 ARG A 74 10.906 5.234 -4.866 1.00 2.11 H new ATOM 0 HG3 ARG A 74 10.326 3.689 -5.455 1.00 2.11 H new ATOM 0 HD2 ARG A 74 12.559 2.849 -5.784 1.00 2.07 H new ATOM 0 HD3 ARG A 74 13.269 4.447 -5.667 1.00 2.07 H new ATOM 0 HE ARG A 74 12.204 4.385 -3.267 1.00 3.48 H new ATOM 0 HH11 ARG A 74 14.048 1.638 -4.664 1.00 3.61 H new ATOM 0 HH12 ARG A 74 14.318 0.988 -3.043 1.00 3.61 H new ATOM 0 HH21 ARG A 74 12.475 3.385 -1.401 1.00 5.62 H new ATOM 0 HH22 ARG A 74 13.468 1.929 -1.287 1.00 5.62 H new ATOM 1161 N VAL A 75 8.189 5.798 -5.396 1.00 1.54 N ATOM 1162 CA VAL A 75 7.614 6.278 -4.123 1.00 1.56 C ATOM 1163 C VAL A 75 7.317 5.079 -3.220 1.00 1.43 C ATOM 1164 O VAL A 75 6.794 4.070 -3.687 1.00 1.67 O ATOM 1165 CB VAL A 75 6.306 7.105 -4.291 1.00 1.78 C ATOM 1166 CG1 VAL A 75 6.554 8.472 -4.949 1.00 2.01 C ATOM 1167 CG2 VAL A 75 5.213 6.364 -5.085 1.00 1.86 C ATOM 0 H VAL A 75 7.872 4.856 -5.624 1.00 1.54 H new ATOM 0 HA VAL A 75 8.358 6.944 -3.685 1.00 1.56 H new ATOM 0 HB VAL A 75 5.949 7.255 -3.272 1.00 1.78 H new ATOM 0 HG11 VAL A 75 5.609 9.008 -5.042 1.00 2.01 H new ATOM 0 HG12 VAL A 75 7.241 9.053 -4.334 1.00 2.01 H new ATOM 0 HG13 VAL A 75 6.988 8.326 -5.938 1.00 2.01 H new ATOM 0 HG21 VAL A 75 4.329 6.997 -5.165 1.00 1.86 H new ATOM 0 HG22 VAL A 75 5.583 6.131 -6.083 1.00 1.86 H new ATOM 0 HG23 VAL A 75 4.952 5.440 -4.569 1.00 1.86 H new ATOM 1177 N GLU A 76 7.634 5.159 -1.929 1.00 1.30 N ATOM 1178 CA GLU A 76 7.308 4.089 -0.984 1.00 1.17 C ATOM 1179 C GLU A 76 5.915 4.299 -0.381 1.00 1.07 C ATOM 1180 O GLU A 76 5.588 5.387 0.102 1.00 1.24 O ATOM 1181 CB GLU A 76 8.349 3.965 0.144 1.00 1.49 C ATOM 1182 CG GLU A 76 9.806 3.803 -0.319 1.00 1.72 C ATOM 1183 CD GLU A 76 10.405 5.073 -0.925 1.00 2.44 C ATOM 1184 OE1 GLU A 76 9.938 6.183 -0.571 1.00 3.44 O ATOM 1185 OE2 GLU A 76 11.318 4.925 -1.761 1.00 2.94 O ATOM 0 H GLU A 76 8.117 5.954 -1.512 1.00 1.30 H new ATOM 0 HA GLU A 76 7.320 3.159 -1.552 1.00 1.17 H new ATOM 0 HB2 GLU A 76 8.283 4.851 0.776 1.00 1.49 H new ATOM 0 HB3 GLU A 76 8.086 3.109 0.766 1.00 1.49 H new ATOM 0 HG2 GLU A 76 10.415 3.494 0.530 1.00 1.72 H new ATOM 0 HG3 GLU A 76 9.857 3.001 -1.056 1.00 1.72 H new ATOM 1192 N LEU A 77 5.133 3.219 -0.288 1.00 0.92 N ATOM 1193 CA LEU A 77 4.041 3.126 0.676 1.00 0.88 C ATOM 1194 C LEU A 77 4.644 2.950 2.078 1.00 0.89 C ATOM 1195 O LEU A 77 4.653 1.869 2.662 1.00 1.18 O ATOM 1196 CB LEU A 77 3.002 2.054 0.292 1.00 0.84 C ATOM 1197 CG LEU A 77 2.095 2.449 -0.895 1.00 0.81 C ATOM 1198 CD1 LEU A 77 2.741 2.191 -2.265 1.00 0.88 C ATOM 1199 CD2 LEU A 77 0.776 1.669 -0.792 1.00 0.89 C ATOM 0 H LEU A 77 5.241 2.392 -0.876 1.00 0.92 H new ATOM 0 HA LEU A 77 3.463 4.050 0.672 1.00 0.88 H new ATOM 0 HB2 LEU A 77 3.524 1.130 0.044 1.00 0.84 H new ATOM 0 HB3 LEU A 77 2.376 1.844 1.159 1.00 0.84 H new ATOM 0 HG LEU A 77 1.924 3.523 -0.830 1.00 0.81 H new ATOM 0 HD11 LEU A 77 2.052 2.490 -3.054 1.00 0.88 H new ATOM 0 HD12 LEU A 77 3.661 2.770 -2.348 1.00 0.88 H new ATOM 0 HD13 LEU A 77 2.969 1.130 -2.366 1.00 0.88 H new ATOM 0 HD21 LEU A 77 0.127 1.940 -1.625 1.00 0.89 H new ATOM 0 HD22 LEU A 77 0.982 0.599 -0.826 1.00 0.89 H new ATOM 0 HD23 LEU A 77 0.281 1.914 0.148 1.00 0.89 H new ATOM 1211 N LYS A 78 5.215 4.049 2.578 1.00 0.89 N ATOM 1212 CA LYS A 78 5.865 4.174 3.879 1.00 0.92 C ATOM 1213 C LYS A 78 4.849 4.495 5.000 1.00 0.86 C ATOM 1214 O LYS A 78 3.926 5.277 4.763 1.00 0.88 O ATOM 1215 CB LYS A 78 6.981 5.238 3.747 1.00 1.02 C ATOM 1216 CG LYS A 78 6.489 6.653 3.351 1.00 1.07 C ATOM 1217 CD LYS A 78 7.295 7.338 2.236 1.00 1.45 C ATOM 1218 CE LYS A 78 8.781 7.544 2.550 1.00 1.74 C ATOM 1219 NZ LYS A 78 9.514 8.004 1.341 1.00 2.72 N ATOM 0 H LYS A 78 5.236 4.923 2.053 1.00 0.89 H new ATOM 0 HA LYS A 78 6.312 3.225 4.174 1.00 0.92 H new ATOM 0 HB2 LYS A 78 7.512 5.306 4.696 1.00 1.02 H new ATOM 0 HB3 LYS A 78 7.701 4.898 3.003 1.00 1.02 H new ATOM 0 HG2 LYS A 78 5.448 6.583 3.034 1.00 1.07 H new ATOM 0 HG3 LYS A 78 6.511 7.289 4.236 1.00 1.07 H new ATOM 0 HD2 LYS A 78 7.209 6.743 1.327 1.00 1.45 H new ATOM 0 HD3 LYS A 78 6.845 8.308 2.025 1.00 1.45 H new ATOM 0 HE2 LYS A 78 8.891 8.277 3.349 1.00 1.74 H new ATOM 0 HE3 LYS A 78 9.214 6.611 2.911 1.00 1.74 H new ATOM 0 HZ1 LYS A 78 10.306 8.614 1.627 1.00 2.72 H new ATOM 0 HZ2 LYS A 78 9.881 7.180 0.823 1.00 2.72 H new ATOM 0 HZ3 LYS A 78 8.868 8.540 0.727 1.00 2.72 H new ATOM 1233 N PRO A 79 5.046 3.998 6.241 1.00 0.89 N ATOM 1234 CA PRO A 79 4.145 4.279 7.361 1.00 1.00 C ATOM 1235 C PRO A 79 4.004 5.777 7.684 1.00 1.07 C ATOM 1236 O PRO A 79 2.976 6.165 8.219 1.00 1.43 O ATOM 1237 CB PRO A 79 4.701 3.489 8.553 1.00 1.07 C ATOM 1238 CG PRO A 79 6.166 3.246 8.194 1.00 1.06 C ATOM 1239 CD PRO A 79 6.134 3.129 6.672 1.00 0.95 C ATOM 0 HA PRO A 79 3.130 3.973 7.107 1.00 1.00 H new ATOM 0 HB2 PRO A 79 4.607 4.052 9.482 1.00 1.07 H new ATOM 0 HB3 PRO A 79 4.165 2.550 8.693 1.00 1.07 H new ATOM 0 HG2 PRO A 79 6.803 4.067 8.522 1.00 1.06 H new ATOM 0 HG3 PRO A 79 6.550 2.339 8.660 1.00 1.06 H new ATOM 0 HD2 PRO A 79 7.082 3.440 6.234 1.00 0.95 H new ATOM 0 HD3 PRO A 79 5.961 2.099 6.360 1.00 0.95 H new ATOM 1247 N GLY A 80 4.986 6.615 7.318 1.00 1.07 N ATOM 1248 CA GLY A 80 4.911 8.083 7.389 1.00 1.14 C ATOM 1249 C GLY A 80 4.627 8.750 6.037 1.00 1.03 C ATOM 1250 O GLY A 80 5.232 9.778 5.741 1.00 1.57 O ATOM 0 H GLY A 80 5.879 6.281 6.954 1.00 1.07 H new ATOM 0 HA2 GLY A 80 4.130 8.365 8.095 1.00 1.14 H new ATOM 0 HA3 GLY A 80 5.851 8.468 7.784 1.00 1.14 H new ATOM 1254 N GLY A 81 3.804 8.129 5.180 1.00 0.83 N ATOM 1255 CA GLY A 81 3.442 8.646 3.852 1.00 0.75 C ATOM 1256 C GLY A 81 2.184 8.038 3.234 1.00 0.64 C ATOM 1257 O GLY A 81 1.207 8.743 3.023 1.00 0.73 O ATOM 0 H GLY A 81 3.362 7.235 5.395 1.00 0.83 H new ATOM 0 HA2 GLY A 81 3.305 9.725 3.925 1.00 0.75 H new ATOM 0 HA3 GLY A 81 4.278 8.476 3.174 1.00 0.75 H new ATOM 1261 N TYR A 82 2.209 6.739 2.927 1.00 0.58 N ATOM 1262 CA TYR A 82 1.126 6.006 2.242 1.00 0.55 C ATOM 1263 C TYR A 82 1.107 4.531 2.654 1.00 0.64 C ATOM 1264 O TYR A 82 2.150 3.957 2.947 1.00 0.76 O ATOM 1265 CB TYR A 82 1.247 6.139 0.716 1.00 0.54 C ATOM 1266 CG TYR A 82 1.298 7.570 0.229 1.00 0.52 C ATOM 1267 CD1 TYR A 82 0.119 8.335 0.163 1.00 1.96 C ATOM 1268 CD2 TYR A 82 2.540 8.153 -0.086 1.00 1.96 C ATOM 1269 CE1 TYR A 82 0.182 9.705 -0.156 1.00 1.98 C ATOM 1270 CE2 TYR A 82 2.610 9.513 -0.435 1.00 1.99 C ATOM 1271 CZ TYR A 82 1.432 10.297 -0.464 1.00 0.60 C ATOM 1272 OH TYR A 82 1.498 11.618 -0.786 1.00 0.69 O ATOM 0 H TYR A 82 3.006 6.144 3.153 1.00 0.58 H new ATOM 0 HA TYR A 82 0.181 6.455 2.549 1.00 0.55 H new ATOM 0 HB2 TYR A 82 2.147 5.621 0.386 1.00 0.54 H new ATOM 0 HB3 TYR A 82 0.400 5.636 0.249 1.00 0.54 H new ATOM 0 HD1 TYR A 82 -0.836 7.870 0.357 1.00 1.96 H new ATOM 0 HD2 TYR A 82 3.439 7.555 -0.060 1.00 1.96 H new ATOM 0 HE1 TYR A 82 -0.718 10.302 -0.166 1.00 1.98 H new ATOM 0 HE2 TYR A 82 3.562 9.959 -0.681 1.00 1.99 H new ATOM 0 HH TYR A 82 2.429 11.864 -0.968 1.00 0.69 H new ATOM 1282 N HIS A 83 -0.052 3.881 2.675 1.00 0.62 N ATOM 1283 CA HIS A 83 -0.162 2.459 3.044 1.00 0.65 C ATOM 1284 C HIS A 83 -1.427 1.831 2.471 1.00 0.56 C ATOM 1285 O HIS A 83 -2.380 2.542 2.157 1.00 0.55 O ATOM 1286 CB HIS A 83 -0.076 2.253 4.572 1.00 0.71 C ATOM 1287 CG HIS A 83 -1.100 2.995 5.403 1.00 0.68 C ATOM 1288 ND1 HIS A 83 -0.967 4.302 5.832 1.00 0.77 N ATOM 1289 CD2 HIS A 83 -2.261 2.504 5.966 1.00 0.70 C ATOM 1290 CE1 HIS A 83 -2.011 4.592 6.618 1.00 0.81 C ATOM 1291 NE2 HIS A 83 -2.814 3.527 6.739 1.00 0.77 N ATOM 0 H HIS A 83 -0.944 4.316 2.439 1.00 0.62 H new ATOM 0 HA HIS A 83 0.692 1.947 2.601 1.00 0.65 H new ATOM 0 HB2 HIS A 83 -0.172 1.187 4.780 1.00 0.71 H new ATOM 0 HB3 HIS A 83 0.918 2.554 4.903 1.00 0.71 H new ATOM 0 HD2 HIS A 83 -2.667 1.512 5.833 1.00 0.70 H new ATOM 0 HE1 HIS A 83 -2.182 5.549 7.088 1.00 0.81 H new ATOM 0 HE2 HIS A 83 -3.669 3.473 7.292 1.00 0.77 H new ATOM 1299 N PHE A 84 -1.451 0.498 2.386 1.00 0.60 N ATOM 1300 CA PHE A 84 -2.685 -0.247 2.167 1.00 0.61 C ATOM 1301 C PHE A 84 -3.237 -0.725 3.504 1.00 0.62 C ATOM 1302 O PHE A 84 -2.594 -1.508 4.209 1.00 0.73 O ATOM 1303 CB PHE A 84 -2.437 -1.441 1.248 1.00 0.72 C ATOM 1304 CG PHE A 84 -2.280 -1.090 -0.216 1.00 0.65 C ATOM 1305 CD1 PHE A 84 -3.357 -0.508 -0.914 1.00 1.61 C ATOM 1306 CD2 PHE A 84 -1.084 -1.386 -0.896 1.00 1.93 C ATOM 1307 CE1 PHE A 84 -3.263 -0.306 -2.298 1.00 1.64 C ATOM 1308 CE2 PHE A 84 -0.972 -1.122 -2.271 1.00 1.89 C ATOM 1309 CZ PHE A 84 -2.067 -0.597 -2.972 1.00 0.60 C ATOM 0 H PHE A 84 -0.620 -0.088 2.467 1.00 0.60 H new ATOM 0 HA PHE A 84 -3.411 0.410 1.688 1.00 0.61 H new ATOM 0 HB2 PHE A 84 -1.538 -1.959 1.582 1.00 0.72 H new ATOM 0 HB3 PHE A 84 -3.266 -2.141 1.353 1.00 0.72 H new ATOM 0 HD1 PHE A 84 -4.252 -0.218 -0.384 1.00 1.61 H new ATOM 0 HD2 PHE A 84 -0.251 -1.817 -0.360 1.00 1.93 H new ATOM 0 HE1 PHE A 84 -4.112 0.074 -2.846 1.00 1.64 H new ATOM 0 HE2 PHE A 84 -0.045 -1.323 -2.787 1.00 1.89 H new ATOM 0 HZ PHE A 84 -1.990 -0.416 -4.034 1.00 0.60 H new ATOM 1319 N MET A 85 -4.455 -0.297 3.811 1.00 0.55 N ATOM 1320 CA MET A 85 -5.255 -0.829 4.901 1.00 0.53 C ATOM 1321 C MET A 85 -6.060 -2.030 4.384 1.00 0.46 C ATOM 1322 O MET A 85 -6.584 -1.995 3.267 1.00 0.61 O ATOM 1323 CB MET A 85 -6.123 0.310 5.463 1.00 0.68 C ATOM 1324 CG MET A 85 -6.382 0.152 6.960 1.00 1.16 C ATOM 1325 SD MET A 85 -5.248 0.952 8.117 1.00 1.06 S ATOM 1326 CE MET A 85 -3.909 -0.255 8.168 1.00 0.72 C ATOM 0 H MET A 85 -4.923 0.448 3.295 1.00 0.55 H new ATOM 0 HA MET A 85 -4.642 -1.199 5.723 1.00 0.53 H new ATOM 0 HB2 MET A 85 -5.630 1.265 5.280 1.00 0.68 H new ATOM 0 HB3 MET A 85 -7.075 0.336 4.932 1.00 0.68 H new ATOM 0 HG2 MET A 85 -7.385 0.527 7.165 1.00 1.16 H new ATOM 0 HG3 MET A 85 -6.388 -0.914 7.185 1.00 1.16 H new ATOM 0 HE1 MET A 85 -3.245 -0.027 9.002 1.00 0.72 H new ATOM 0 HE2 MET A 85 -4.325 -1.254 8.298 1.00 0.72 H new ATOM 0 HE3 MET A 85 -3.347 -0.214 7.235 1.00 0.72 H new ATOM 1336 N LEU A 86 -6.110 -3.112 5.166 1.00 0.43 N ATOM 1337 CA LEU A 86 -6.680 -4.399 4.762 1.00 0.41 C ATOM 1338 C LEU A 86 -7.781 -4.786 5.752 1.00 0.42 C ATOM 1339 O LEU A 86 -7.501 -5.172 6.888 1.00 0.71 O ATOM 1340 CB LEU A 86 -5.561 -5.460 4.721 1.00 0.49 C ATOM 1341 CG LEU A 86 -4.379 -5.149 3.776 1.00 0.69 C ATOM 1342 CD1 LEU A 86 -3.336 -6.268 3.898 1.00 1.61 C ATOM 1343 CD2 LEU A 86 -4.818 -5.004 2.311 1.00 1.11 C ATOM 0 H LEU A 86 -5.747 -3.117 6.119 1.00 0.43 H new ATOM 0 HA LEU A 86 -7.119 -4.330 3.767 1.00 0.41 H new ATOM 0 HB2 LEU A 86 -5.171 -5.590 5.731 1.00 0.49 H new ATOM 0 HB3 LEU A 86 -5.999 -6.413 4.424 1.00 0.49 H new ATOM 0 HG LEU A 86 -3.954 -4.191 4.077 1.00 0.69 H new ATOM 0 HD11 LEU A 86 -2.497 -6.058 3.234 1.00 1.61 H new ATOM 0 HD12 LEU A 86 -2.980 -6.323 4.927 1.00 1.61 H new ATOM 0 HD13 LEU A 86 -3.789 -7.220 3.620 1.00 1.61 H new ATOM 0 HD21 LEU A 86 -3.949 -4.786 1.691 1.00 1.11 H new ATOM 0 HD22 LEU A 86 -5.279 -5.933 1.976 1.00 1.11 H new ATOM 0 HD23 LEU A 86 -5.538 -4.190 2.226 1.00 1.11 H new ATOM 1355 N LEU A 87 -9.038 -4.625 5.333 1.00 0.58 N ATOM 1356 CA LEU A 87 -10.220 -4.816 6.170 1.00 0.66 C ATOM 1357 C LEU A 87 -10.956 -6.096 5.750 1.00 0.79 C ATOM 1358 O LEU A 87 -11.416 -6.219 4.614 1.00 1.12 O ATOM 1359 CB LEU A 87 -11.141 -3.579 6.063 1.00 0.75 C ATOM 1360 CG LEU A 87 -10.630 -2.217 6.593 1.00 1.15 C ATOM 1361 CD1 LEU A 87 -10.033 -2.326 8.001 1.00 1.71 C ATOM 1362 CD2 LEU A 87 -9.618 -1.530 5.663 1.00 3.12 C ATOM 0 H LEU A 87 -9.266 -4.351 4.377 1.00 0.58 H new ATOM 0 HA LEU A 87 -9.917 -4.926 7.211 1.00 0.66 H new ATOM 0 HB2 LEU A 87 -11.396 -3.448 5.011 1.00 0.75 H new ATOM 0 HB3 LEU A 87 -12.067 -3.811 6.589 1.00 0.75 H new ATOM 0 HG LEU A 87 -11.522 -1.591 6.629 1.00 1.15 H new ATOM 0 HD11 LEU A 87 -9.689 -1.345 8.327 1.00 1.71 H new ATOM 0 HD12 LEU A 87 -10.793 -2.692 8.691 1.00 1.71 H new ATOM 0 HD13 LEU A 87 -9.192 -3.019 7.987 1.00 1.71 H new ATOM 0 HD21 LEU A 87 -9.306 -0.582 6.101 1.00 3.12 H new ATOM 0 HD22 LEU A 87 -8.748 -2.174 5.533 1.00 3.12 H new ATOM 0 HD23 LEU A 87 -10.081 -1.346 4.694 1.00 3.12 H new ATOM 1374 N GLY A 88 -11.084 -7.039 6.689 1.00 0.69 N ATOM 1375 CA GLY A 88 -11.630 -8.381 6.466 1.00 0.80 C ATOM 1376 C GLY A 88 -10.539 -9.306 5.938 1.00 0.90 C ATOM 1377 O GLY A 88 -10.266 -9.287 4.741 1.00 1.53 O ATOM 0 H GLY A 88 -10.801 -6.884 7.657 1.00 0.69 H new ATOM 0 HA2 GLY A 88 -12.035 -8.777 7.397 1.00 0.80 H new ATOM 0 HA3 GLY A 88 -12.454 -8.334 5.754 1.00 0.80 H new ATOM 1381 N LEU A 89 -9.907 -10.100 6.807 1.00 0.73 N ATOM 1382 CA LEU A 89 -8.839 -11.020 6.410 1.00 0.77 C ATOM 1383 C LEU A 89 -9.402 -12.419 6.135 1.00 0.92 C ATOM 1384 O LEU A 89 -9.971 -13.050 7.021 1.00 1.09 O ATOM 1385 CB LEU A 89 -7.711 -11.064 7.457 1.00 0.87 C ATOM 1386 CG LEU A 89 -7.122 -9.703 7.880 1.00 0.71 C ATOM 1387 CD1 LEU A 89 -5.891 -9.947 8.757 1.00 0.91 C ATOM 1388 CD2 LEU A 89 -6.738 -8.790 6.704 1.00 0.83 C ATOM 0 H LEU A 89 -10.121 -10.123 7.804 1.00 0.73 H new ATOM 0 HA LEU A 89 -8.403 -10.645 5.484 1.00 0.77 H new ATOM 0 HB2 LEU A 89 -8.090 -11.565 8.348 1.00 0.87 H new ATOM 0 HB3 LEU A 89 -6.902 -11.680 7.064 1.00 0.87 H new ATOM 0 HG LEU A 89 -7.907 -9.179 8.425 1.00 0.71 H new ATOM 0 HD11 LEU A 89 -5.466 -8.991 9.062 1.00 0.91 H new ATOM 0 HD12 LEU A 89 -6.181 -10.514 9.642 1.00 0.91 H new ATOM 0 HD13 LEU A 89 -5.148 -10.510 8.193 1.00 0.91 H new ATOM 0 HD21 LEU A 89 -6.332 -7.854 7.088 1.00 0.83 H new ATOM 0 HD22 LEU A 89 -5.987 -9.286 6.089 1.00 0.83 H new ATOM 0 HD23 LEU A 89 -7.622 -8.582 6.101 1.00 0.83 H new ATOM 1400 N LYS A 90 -9.183 -12.947 4.928 1.00 0.99 N ATOM 1401 CA LYS A 90 -9.578 -14.319 4.564 1.00 1.04 C ATOM 1402 C LYS A 90 -8.717 -15.396 5.255 1.00 1.06 C ATOM 1403 O LYS A 90 -9.074 -16.574 5.254 1.00 1.16 O ATOM 1404 CB LYS A 90 -9.536 -14.488 3.039 1.00 1.09 C ATOM 1405 CG LYS A 90 -10.360 -13.429 2.286 1.00 1.02 C ATOM 1406 CD LYS A 90 -10.782 -13.908 0.889 1.00 1.45 C ATOM 1407 CE LYS A 90 -11.866 -12.997 0.298 1.00 1.63 C ATOM 1408 NZ LYS A 90 -11.333 -11.885 -0.514 1.00 1.96 N ATOM 0 H LYS A 90 -8.726 -12.438 4.171 1.00 0.99 H new ATOM 0 HA LYS A 90 -10.598 -14.466 4.920 1.00 1.04 H new ATOM 0 HB2 LYS A 90 -8.500 -14.438 2.703 1.00 1.09 H new ATOM 0 HB3 LYS A 90 -9.908 -15.479 2.780 1.00 1.09 H new ATOM 0 HG2 LYS A 90 -11.248 -13.182 2.867 1.00 1.02 H new ATOM 0 HG3 LYS A 90 -9.775 -12.514 2.193 1.00 1.02 H new ATOM 0 HD2 LYS A 90 -9.915 -13.923 0.229 1.00 1.45 H new ATOM 0 HD3 LYS A 90 -11.155 -14.931 0.949 1.00 1.45 H new ATOM 0 HE2 LYS A 90 -12.535 -13.597 -0.319 1.00 1.63 H new ATOM 0 HE3 LYS A 90 -12.465 -12.586 1.111 1.00 1.63 H new ATOM 0 HZ1 LYS A 90 -12.122 -11.323 -0.894 1.00 1.96 H new ATOM 0 HZ2 LYS A 90 -10.731 -11.279 0.079 1.00 1.96 H new ATOM 0 HZ3 LYS A 90 -10.771 -12.268 -1.301 1.00 1.96 H new ATOM 1422 N ARG A 91 -7.594 -14.981 5.855 1.00 1.12 N ATOM 1423 CA ARG A 91 -6.764 -15.769 6.764 1.00 1.26 C ATOM 1424 C ARG A 91 -6.006 -14.831 7.729 1.00 1.14 C ATOM 1425 O ARG A 91 -5.513 -13.793 7.284 1.00 1.03 O ATOM 1426 CB ARG A 91 -5.817 -16.702 5.978 1.00 1.54 C ATOM 1427 CG ARG A 91 -4.793 -15.973 5.089 1.00 1.66 C ATOM 1428 CD ARG A 91 -3.847 -16.950 4.373 1.00 1.81 C ATOM 1429 NE ARG A 91 -2.531 -16.339 4.087 1.00 3.06 N ATOM 1430 CZ ARG A 91 -1.587 -16.089 4.990 1.00 4.40 C ATOM 1431 NH1 ARG A 91 -1.764 -16.373 6.261 1.00 4.89 N ATOM 1432 NH2 ARG A 91 -0.435 -15.537 4.677 1.00 5.98 N ATOM 0 H ARG A 91 -7.225 -14.041 5.710 1.00 1.12 H new ATOM 0 HA ARG A 91 -7.402 -16.415 7.367 1.00 1.26 H new ATOM 0 HB2 ARG A 91 -5.280 -17.333 6.686 1.00 1.54 H new ATOM 0 HB3 ARG A 91 -6.416 -17.363 5.352 1.00 1.54 H new ATOM 0 HG2 ARG A 91 -5.320 -15.372 4.348 1.00 1.66 H new ATOM 0 HG3 ARG A 91 -4.208 -15.285 5.700 1.00 1.66 H new ATOM 0 HD2 ARG A 91 -3.708 -17.838 4.990 1.00 1.81 H new ATOM 0 HD3 ARG A 91 -4.304 -17.279 3.440 1.00 1.81 H new ATOM 0 HE ARG A 91 -2.331 -16.089 3.119 1.00 3.06 H new ATOM 0 HH11 ARG A 91 -2.639 -16.794 6.572 1.00 4.89 H new ATOM 0 HH12 ARG A 91 -1.026 -16.172 6.936 1.00 4.89 H new ATOM 0 HH21 ARG A 91 -0.238 -15.283 3.709 1.00 5.98 H new ATOM 0 HH22 ARG A 91 0.261 -15.363 5.402 1.00 5.98 H new ATOM 1446 N PRO A 92 -5.883 -15.185 9.025 1.00 1.33 N ATOM 1447 CA PRO A 92 -5.004 -14.495 9.960 1.00 1.35 C ATOM 1448 C PRO A 92 -3.547 -14.832 9.630 1.00 1.31 C ATOM 1449 O PRO A 92 -3.236 -15.948 9.201 1.00 1.51 O ATOM 1450 CB PRO A 92 -5.413 -14.987 11.349 1.00 1.76 C ATOM 1451 CG PRO A 92 -5.919 -16.404 11.084 1.00 1.92 C ATOM 1452 CD PRO A 92 -6.546 -16.302 9.692 1.00 1.68 C ATOM 0 HA PRO A 92 -5.090 -13.410 9.905 1.00 1.35 H new ATOM 0 HB2 PRO A 92 -4.571 -14.983 12.041 1.00 1.76 H new ATOM 0 HB3 PRO A 92 -6.188 -14.358 11.787 1.00 1.76 H new ATOM 0 HG2 PRO A 92 -5.107 -17.131 11.107 1.00 1.92 H new ATOM 0 HG3 PRO A 92 -6.648 -16.717 11.831 1.00 1.92 H new ATOM 0 HD2 PRO A 92 -6.405 -17.227 9.133 1.00 1.68 H new ATOM 0 HD3 PRO A 92 -7.620 -16.131 9.761 1.00 1.68 H new ATOM 1460 N LEU A 93 -2.654 -13.860 9.826 1.00 1.34 N ATOM 1461 CA LEU A 93 -1.262 -13.921 9.372 1.00 1.48 C ATOM 1462 C LEU A 93 -0.305 -14.487 10.437 1.00 1.69 C ATOM 1463 O LEU A 93 -0.679 -14.643 11.597 1.00 2.36 O ATOM 1464 CB LEU A 93 -0.824 -12.518 8.901 1.00 1.39 C ATOM 1465 CG LEU A 93 -1.751 -11.856 7.856 1.00 1.52 C ATOM 1466 CD1 LEU A 93 -1.184 -10.484 7.462 1.00 2.10 C ATOM 1467 CD2 LEU A 93 -1.937 -12.713 6.596 1.00 2.36 C ATOM 0 H LEU A 93 -2.881 -12.993 10.313 1.00 1.34 H new ATOM 0 HA LEU A 93 -1.209 -14.620 8.537 1.00 1.48 H new ATOM 0 HB2 LEU A 93 -0.758 -11.864 9.771 1.00 1.39 H new ATOM 0 HB3 LEU A 93 0.179 -12.590 8.480 1.00 1.39 H new ATOM 0 HG LEU A 93 -2.731 -11.748 8.320 1.00 1.52 H new ATOM 0 HD11 LEU A 93 -1.838 -10.018 6.725 1.00 2.10 H new ATOM 0 HD12 LEU A 93 -1.122 -9.849 8.345 1.00 2.10 H new ATOM 0 HD13 LEU A 93 -0.189 -10.610 7.035 1.00 2.10 H new ATOM 0 HD21 LEU A 93 -2.597 -12.197 5.899 1.00 2.36 H new ATOM 0 HD22 LEU A 93 -0.969 -12.880 6.123 1.00 2.36 H new ATOM 0 HD23 LEU A 93 -2.377 -13.672 6.870 1.00 2.36 H new ATOM 1479 N LYS A 94 0.926 -14.833 10.049 1.00 1.59 N ATOM 1480 CA LYS A 94 2.104 -14.925 10.931 1.00 1.96 C ATOM 1481 C LYS A 94 3.207 -14.006 10.394 1.00 2.04 C ATOM 1482 O LYS A 94 3.282 -13.742 9.195 1.00 2.38 O ATOM 1483 CB LYS A 94 2.738 -16.339 11.059 1.00 2.47 C ATOM 1484 CG LYS A 94 1.863 -17.596 11.074 1.00 2.27 C ATOM 1485 CD LYS A 94 0.718 -17.588 12.095 1.00 3.63 C ATOM 1486 CE LYS A 94 -0.563 -18.213 11.512 1.00 4.67 C ATOM 1487 NZ LYS A 94 -1.072 -17.458 10.337 1.00 5.40 N ATOM 0 H LYS A 94 1.142 -15.066 9.080 1.00 1.59 H new ATOM 0 HA LYS A 94 1.731 -14.644 11.916 1.00 1.96 H new ATOM 0 HB2 LYS A 94 3.442 -16.449 10.234 1.00 2.47 H new ATOM 0 HB3 LYS A 94 3.322 -16.345 11.979 1.00 2.47 H new ATOM 0 HG2 LYS A 94 1.439 -17.735 10.079 1.00 2.27 H new ATOM 0 HG3 LYS A 94 2.499 -18.459 11.273 1.00 2.27 H new ATOM 0 HD2 LYS A 94 1.020 -18.139 12.986 1.00 3.63 H new ATOM 0 HD3 LYS A 94 0.515 -16.564 12.407 1.00 3.63 H new ATOM 0 HE2 LYS A 94 -0.362 -19.244 11.220 1.00 4.67 H new ATOM 0 HE3 LYS A 94 -1.333 -18.245 12.283 1.00 4.67 H new ATOM 0 HZ1 LYS A 94 -1.663 -18.083 9.752 1.00 5.40 H new ATOM 0 HZ2 LYS A 94 -1.639 -16.650 10.663 1.00 5.40 H new ATOM 0 HZ3 LYS A 94 -0.270 -17.113 9.772 1.00 5.40 H new ATOM 1501 N ALA A 95 4.118 -13.599 11.275 1.00 2.02 N ATOM 1502 CA ALA A 95 5.404 -13.062 10.832 1.00 1.99 C ATOM 1503 C ALA A 95 6.118 -14.113 9.967 1.00 1.94 C ATOM 1504 O ALA A 95 6.178 -15.276 10.360 1.00 1.96 O ATOM 1505 CB ALA A 95 6.234 -12.685 12.065 1.00 2.04 C ATOM 0 H ALA A 95 3.993 -13.629 12.287 1.00 2.02 H new ATOM 0 HA ALA A 95 5.263 -12.167 10.227 1.00 1.99 H new ATOM 0 HB1 ALA A 95 7.196 -12.283 11.747 1.00 2.04 H new ATOM 0 HB2 ALA A 95 5.701 -11.933 12.646 1.00 2.04 H new ATOM 0 HB3 ALA A 95 6.396 -13.571 12.679 1.00 2.04 H new ATOM 1511 N GLY A 96 6.624 -13.726 8.794 1.00 1.98 N ATOM 1512 CA GLY A 96 7.396 -14.603 7.907 1.00 2.10 C ATOM 1513 C GLY A 96 6.595 -15.416 6.883 1.00 1.98 C ATOM 1514 O GLY A 96 7.223 -16.168 6.145 1.00 2.36 O ATOM 0 H GLY A 96 6.508 -12.781 8.427 1.00 1.98 H new ATOM 0 HA2 GLY A 96 8.119 -13.991 7.367 1.00 2.10 H new ATOM 0 HA3 GLY A 96 7.965 -15.298 8.525 1.00 2.10 H new ATOM 1518 N GLU A 97 5.265 -15.271 6.792 1.00 1.78 N ATOM 1519 CA GLU A 97 4.496 -15.851 5.678 1.00 1.74 C ATOM 1520 C GLU A 97 4.683 -15.013 4.407 1.00 1.43 C ATOM 1521 O GLU A 97 5.114 -13.859 4.466 1.00 1.30 O ATOM 1522 CB GLU A 97 2.993 -15.867 5.995 1.00 1.91 C ATOM 1523 CG GLU A 97 2.555 -16.817 7.119 1.00 2.21 C ATOM 1524 CD GLU A 97 1.087 -16.585 7.493 1.00 2.45 C ATOM 1525 OE1 GLU A 97 0.586 -15.454 7.324 1.00 3.34 O ATOM 1526 OE2 GLU A 97 0.370 -17.489 7.978 1.00 2.96 O ATOM 0 H GLU A 97 4.701 -14.760 7.471 1.00 1.78 H new ATOM 0 HA GLU A 97 4.861 -16.867 5.531 1.00 1.74 H new ATOM 0 HB2 GLU A 97 2.687 -14.855 6.261 1.00 1.91 H new ATOM 0 HB3 GLU A 97 2.453 -16.136 5.087 1.00 1.91 H new ATOM 0 HG2 GLU A 97 2.694 -17.850 6.802 1.00 2.21 H new ATOM 0 HG3 GLU A 97 3.186 -16.665 7.995 1.00 2.21 H new ATOM 1533 N GLU A 98 4.262 -15.555 3.271 1.00 1.48 N ATOM 1534 CA GLU A 98 4.074 -14.832 2.017 1.00 1.36 C ATOM 1535 C GLU A 98 2.685 -14.169 1.930 1.00 1.45 C ATOM 1536 O GLU A 98 1.683 -14.642 2.483 1.00 2.01 O ATOM 1537 CB GLU A 98 4.264 -15.763 0.800 1.00 1.77 C ATOM 1538 CG GLU A 98 5.569 -16.579 0.798 1.00 2.31 C ATOM 1539 CD GLU A 98 5.438 -17.963 1.450 1.00 4.00 C ATOM 1540 OE1 GLU A 98 4.576 -18.117 2.349 1.00 5.45 O ATOM 1541 OE2 GLU A 98 6.206 -18.856 1.031 1.00 4.44 O ATOM 0 H GLU A 98 4.034 -16.546 3.194 1.00 1.48 H new ATOM 0 HA GLU A 98 4.833 -14.050 2.000 1.00 1.36 H new ATOM 0 HB2 GLU A 98 3.422 -16.454 0.756 1.00 1.77 H new ATOM 0 HB3 GLU A 98 4.230 -15.160 -0.108 1.00 1.77 H new ATOM 0 HG2 GLU A 98 5.907 -16.703 -0.231 1.00 2.31 H new ATOM 0 HG3 GLU A 98 6.340 -16.013 1.321 1.00 2.31 H new ATOM 1548 N VAL A 99 2.619 -13.097 1.137 1.00 1.02 N ATOM 1549 CA VAL A 99 1.396 -12.486 0.604 1.00 0.91 C ATOM 1550 C VAL A 99 1.544 -12.285 -0.903 1.00 0.91 C ATOM 1551 O VAL A 99 2.358 -11.489 -1.367 1.00 0.94 O ATOM 1552 CB VAL A 99 1.075 -11.146 1.304 1.00 0.84 C ATOM 1553 CG1 VAL A 99 0.038 -10.288 0.545 1.00 0.81 C ATOM 1554 CG2 VAL A 99 0.540 -11.457 2.716 1.00 0.91 C ATOM 0 H VAL A 99 3.459 -12.605 0.833 1.00 1.02 H new ATOM 0 HA VAL A 99 0.561 -13.159 0.801 1.00 0.91 H new ATOM 0 HB VAL A 99 1.995 -10.563 1.336 1.00 0.84 H new ATOM 0 HG11 VAL A 99 -0.139 -9.363 1.093 1.00 0.81 H new ATOM 0 HG12 VAL A 99 0.418 -10.054 -0.450 1.00 0.81 H new ATOM 0 HG13 VAL A 99 -0.897 -10.842 0.456 1.00 0.81 H new ATOM 0 HG21 VAL A 99 0.306 -10.525 3.230 1.00 0.91 H new ATOM 0 HG22 VAL A 99 -0.362 -12.064 2.638 1.00 0.91 H new ATOM 0 HG23 VAL A 99 1.297 -12.002 3.280 1.00 0.91 H new ATOM 1564 N GLU A 100 0.677 -12.979 -1.640 1.00 0.97 N ATOM 1565 CA GLU A 100 0.359 -12.683 -3.036 1.00 1.02 C ATOM 1566 C GLU A 100 -0.462 -11.391 -3.119 1.00 0.90 C ATOM 1567 O GLU A 100 -1.345 -11.154 -2.284 1.00 0.99 O ATOM 1568 CB GLU A 100 -0.445 -13.847 -3.643 1.00 1.29 C ATOM 1569 CG GLU A 100 0.424 -15.056 -4.012 1.00 1.60 C ATOM 1570 CD GLU A 100 1.240 -14.739 -5.258 1.00 2.37 C ATOM 1571 OE1 GLU A 100 2.336 -14.160 -5.138 1.00 3.78 O ATOM 1572 OE2 GLU A 100 0.736 -14.921 -6.385 1.00 2.71 O ATOM 0 H GLU A 100 0.164 -13.781 -1.274 1.00 0.97 H new ATOM 0 HA GLU A 100 1.286 -12.555 -3.595 1.00 1.02 H new ATOM 0 HB2 GLU A 100 -1.210 -14.161 -2.932 1.00 1.29 H new ATOM 0 HB3 GLU A 100 -0.964 -13.495 -4.535 1.00 1.29 H new ATOM 0 HG2 GLU A 100 1.088 -15.305 -3.184 1.00 1.60 H new ATOM 0 HG3 GLU A 100 -0.205 -15.928 -4.190 1.00 1.60 H new ATOM 1579 N LEU A 101 -0.172 -10.560 -4.128 1.00 0.91 N ATOM 1580 CA LEU A 101 -0.773 -9.234 -4.254 1.00 0.85 C ATOM 1581 C LEU A 101 -0.887 -8.768 -5.705 1.00 0.88 C ATOM 1582 O LEU A 101 0.089 -8.775 -6.448 1.00 1.04 O ATOM 1583 CB LEU A 101 0.031 -8.224 -3.409 1.00 0.92 C ATOM 1584 CG LEU A 101 -0.776 -7.530 -2.310 1.00 1.16 C ATOM 1585 CD1 LEU A 101 0.158 -6.950 -1.263 1.00 1.75 C ATOM 1586 CD2 LEU A 101 -1.591 -6.350 -2.839 1.00 1.22 C ATOM 0 H LEU A 101 0.483 -10.790 -4.875 1.00 0.91 H new ATOM 0 HA LEU A 101 -1.794 -9.296 -3.878 1.00 0.85 H new ATOM 0 HB2 LEU A 101 0.873 -8.742 -2.951 1.00 0.92 H new ATOM 0 HB3 LEU A 101 0.446 -7.465 -4.072 1.00 0.92 H new ATOM 0 HG LEU A 101 -1.440 -8.292 -1.902 1.00 1.16 H new ATOM 0 HD11 LEU A 101 -0.427 -6.458 -0.486 1.00 1.75 H new ATOM 0 HD12 LEU A 101 0.750 -7.751 -0.820 1.00 1.75 H new ATOM 0 HD13 LEU A 101 0.823 -6.224 -1.731 1.00 1.75 H new ATOM 0 HD21 LEU A 101 -2.145 -5.893 -2.019 1.00 1.22 H new ATOM 0 HD22 LEU A 101 -0.920 -5.612 -3.279 1.00 1.22 H new ATOM 0 HD23 LEU A 101 -2.291 -6.702 -3.597 1.00 1.22 H new ATOM 1598 N ASP A 102 -2.061 -8.270 -6.079 1.00 0.79 N ATOM 1599 CA ASP A 102 -2.235 -7.403 -7.253 1.00 0.85 C ATOM 1600 C ASP A 102 -1.990 -5.943 -6.853 1.00 1.23 C ATOM 1601 O ASP A 102 -2.576 -5.471 -5.886 1.00 1.85 O ATOM 1602 CB ASP A 102 -3.661 -7.485 -7.821 1.00 0.97 C ATOM 1603 CG ASP A 102 -4.056 -8.829 -8.431 1.00 1.17 C ATOM 1604 OD1 ASP A 102 -3.586 -9.153 -9.539 1.00 1.82 O ATOM 1605 OD2 ASP A 102 -4.973 -9.466 -7.861 1.00 2.40 O ATOM 0 H ASP A 102 -2.929 -8.455 -5.576 1.00 0.79 H new ATOM 0 HA ASP A 102 -1.525 -7.741 -8.008 1.00 0.85 H new ATOM 0 HB2 ASP A 102 -4.364 -7.249 -7.022 1.00 0.97 H new ATOM 0 HB3 ASP A 102 -3.773 -6.714 -8.583 1.00 0.97 H new ATOM 1610 N LEU A 103 -1.196 -5.199 -7.621 1.00 0.91 N ATOM 1611 CA LEU A 103 -1.205 -3.729 -7.669 1.00 0.86 C ATOM 1612 C LEU A 103 -2.117 -3.256 -8.816 1.00 0.83 C ATOM 1613 O LEU A 103 -1.831 -3.562 -9.974 1.00 0.88 O ATOM 1614 CB LEU A 103 0.242 -3.244 -7.899 1.00 0.88 C ATOM 1615 CG LEU A 103 1.230 -3.596 -6.772 1.00 0.98 C ATOM 1616 CD1 LEU A 103 2.662 -3.293 -7.234 1.00 1.31 C ATOM 1617 CD2 LEU A 103 0.917 -2.818 -5.487 1.00 1.24 C ATOM 0 H LEU A 103 -0.505 -5.611 -8.248 1.00 0.91 H new ATOM 0 HA LEU A 103 -1.586 -3.319 -6.734 1.00 0.86 H new ATOM 0 HB2 LEU A 103 0.609 -3.672 -8.832 1.00 0.88 H new ATOM 0 HB3 LEU A 103 0.231 -2.162 -8.028 1.00 0.88 H new ATOM 0 HG LEU A 103 1.131 -4.658 -6.549 1.00 0.98 H new ATOM 0 HD11 LEU A 103 3.362 -3.542 -6.436 1.00 1.31 H new ATOM 0 HD12 LEU A 103 2.893 -3.888 -8.118 1.00 1.31 H new ATOM 0 HD13 LEU A 103 2.750 -2.234 -7.476 1.00 1.31 H new ATOM 0 HD21 LEU A 103 1.634 -3.091 -4.713 1.00 1.24 H new ATOM 0 HD22 LEU A 103 0.985 -1.748 -5.684 1.00 1.24 H new ATOM 0 HD23 LEU A 103 -0.091 -3.061 -5.151 1.00 1.24 H new ATOM 1629 N LEU A 104 -3.196 -2.512 -8.524 1.00 0.78 N ATOM 1630 CA LEU A 104 -4.190 -2.059 -9.516 1.00 0.78 C ATOM 1631 C LEU A 104 -3.880 -0.649 -10.022 1.00 0.74 C ATOM 1632 O LEU A 104 -3.713 0.283 -9.228 1.00 0.74 O ATOM 1633 CB LEU A 104 -5.622 -2.044 -8.931 1.00 0.75 C ATOM 1634 CG LEU A 104 -6.092 -3.298 -8.184 1.00 0.76 C ATOM 1635 CD1 LEU A 104 -7.540 -3.115 -7.712 1.00 0.77 C ATOM 1636 CD2 LEU A 104 -5.961 -4.571 -9.029 1.00 0.82 C ATOM 0 H LEU A 104 -3.408 -2.202 -7.576 1.00 0.78 H new ATOM 0 HA LEU A 104 -4.134 -2.772 -10.338 1.00 0.78 H new ATOM 0 HB2 LEU A 104 -5.698 -1.197 -8.249 1.00 0.75 H new ATOM 0 HB3 LEU A 104 -6.318 -1.858 -9.749 1.00 0.75 H new ATOM 0 HG LEU A 104 -5.439 -3.424 -7.320 1.00 0.76 H new ATOM 0 HD11 LEU A 104 -7.866 -4.010 -7.182 1.00 0.77 H new ATOM 0 HD12 LEU A 104 -7.599 -2.256 -7.043 1.00 0.77 H new ATOM 0 HD13 LEU A 104 -8.185 -2.948 -8.574 1.00 0.77 H new ATOM 0 HD21 LEU A 104 -6.308 -5.428 -8.452 1.00 0.82 H new ATOM 0 HD22 LEU A 104 -6.565 -4.473 -9.931 1.00 0.82 H new ATOM 0 HD23 LEU A 104 -4.917 -4.718 -9.306 1.00 0.82 H new ATOM 1648 N PHE A 105 -3.889 -0.448 -11.339 1.00 0.72 N ATOM 1649 CA PHE A 105 -3.576 0.835 -11.984 1.00 0.68 C ATOM 1650 C PHE A 105 -4.746 1.368 -12.828 1.00 0.73 C ATOM 1651 O PHE A 105 -5.638 0.625 -13.221 1.00 1.14 O ATOM 1652 CB PHE A 105 -2.313 0.629 -12.825 1.00 0.67 C ATOM 1653 CG PHE A 105 -1.042 0.407 -12.026 1.00 0.65 C ATOM 1654 CD1 PHE A 105 -0.305 1.499 -11.536 1.00 2.04 C ATOM 1655 CD2 PHE A 105 -0.585 -0.902 -11.777 1.00 1.95 C ATOM 1656 CE1 PHE A 105 0.871 1.292 -10.799 1.00 2.11 C ATOM 1657 CE2 PHE A 105 0.588 -1.113 -11.033 1.00 1.91 C ATOM 1658 CZ PHE A 105 1.321 -0.014 -10.545 1.00 0.74 C ATOM 0 H PHE A 105 -4.118 -1.186 -12.005 1.00 0.72 H new ATOM 0 HA PHE A 105 -3.404 1.597 -11.224 1.00 0.68 H new ATOM 0 HB2 PHE A 105 -2.467 -0.228 -13.481 1.00 0.67 H new ATOM 0 HB3 PHE A 105 -2.175 1.500 -13.466 1.00 0.67 H new ATOM 0 HD1 PHE A 105 -0.647 2.505 -11.728 1.00 2.04 H new ATOM 0 HD2 PHE A 105 -1.139 -1.747 -12.160 1.00 1.95 H new ATOM 0 HE1 PHE A 105 1.430 2.137 -10.427 1.00 2.11 H new ATOM 0 HE2 PHE A 105 0.928 -2.119 -10.835 1.00 1.91 H new ATOM 0 HZ PHE A 105 2.226 -0.175 -9.978 1.00 0.74 H new ATOM 1668 N ALA A 106 -4.749 2.677 -13.106 1.00 0.69 N ATOM 1669 CA ALA A 106 -5.867 3.361 -13.766 1.00 0.69 C ATOM 1670 C ALA A 106 -6.152 2.831 -15.188 1.00 1.17 C ATOM 1671 O ALA A 106 -5.313 2.925 -16.096 1.00 1.96 O ATOM 1672 CB ALA A 106 -5.605 4.872 -13.750 1.00 1.29 C ATOM 0 H ALA A 106 -3.971 3.295 -12.878 1.00 0.69 H new ATOM 0 HA ALA A 106 -6.777 3.147 -13.206 1.00 0.69 H new ATOM 0 HB1 ALA A 106 -6.431 5.390 -14.238 1.00 1.29 H new ATOM 0 HB2 ALA A 106 -5.520 5.216 -12.719 1.00 1.29 H new ATOM 0 HB3 ALA A 106 -4.678 5.086 -14.281 1.00 1.29 H new ATOM 1678 N GLY A 107 -7.358 2.289 -15.389 1.00 1.59 N ATOM 1679 CA GLY A 107 -7.758 1.612 -16.627 1.00 2.34 C ATOM 1680 C GLY A 107 -7.228 0.177 -16.674 1.00 1.97 C ATOM 1681 O GLY A 107 -7.102 -0.480 -15.649 1.00 2.95 O ATOM 0 H GLY A 107 -8.095 2.309 -14.685 1.00 1.59 H new ATOM 0 HA2 GLY A 107 -8.845 1.603 -16.704 1.00 2.34 H new ATOM 0 HA3 GLY A 107 -7.383 2.169 -17.486 1.00 2.34 H new ATOM 1685 N GLY A 108 -6.921 -0.316 -17.877 1.00 1.64 N ATOM 1686 CA GLY A 108 -6.504 -1.709 -18.103 1.00 1.57 C ATOM 1687 C GLY A 108 -5.032 -1.986 -17.790 1.00 1.40 C ATOM 1688 O GLY A 108 -4.309 -2.443 -18.670 1.00 1.89 O ATOM 0 H GLY A 108 -6.954 0.242 -18.730 1.00 1.64 H new ATOM 0 HA2 GLY A 108 -7.123 -2.365 -17.491 1.00 1.57 H new ATOM 0 HA3 GLY A 108 -6.697 -1.969 -19.144 1.00 1.57 H new ATOM 1692 N LYS A 109 -4.555 -1.700 -16.571 1.00 0.98 N ATOM 1693 CA LYS A 109 -3.233 -2.063 -16.092 1.00 1.01 C ATOM 1694 C LYS A 109 -3.319 -2.712 -14.698 1.00 1.00 C ATOM 1695 O LYS A 109 -3.995 -2.195 -13.813 1.00 0.90 O ATOM 1696 CB LYS A 109 -2.400 -0.779 -16.001 1.00 0.95 C ATOM 1697 CG LYS A 109 -1.728 -0.324 -17.298 1.00 1.43 C ATOM 1698 CD LYS A 109 -2.549 0.717 -18.076 1.00 2.78 C ATOM 1699 CE LYS A 109 -2.373 2.107 -17.446 1.00 3.68 C ATOM 1700 NZ LYS A 109 -3.318 3.102 -18.007 1.00 4.91 N ATOM 0 H LYS A 109 -5.103 -1.193 -15.876 1.00 0.98 H new ATOM 0 HA LYS A 109 -2.778 -2.780 -16.775 1.00 1.01 H new ATOM 0 HB2 LYS A 109 -3.045 0.025 -15.648 1.00 0.95 H new ATOM 0 HB3 LYS A 109 -1.627 -0.923 -15.246 1.00 0.95 H new ATOM 0 HG2 LYS A 109 -0.750 0.096 -17.064 1.00 1.43 H new ATOM 0 HG3 LYS A 109 -1.558 -1.192 -17.935 1.00 1.43 H new ATOM 0 HD2 LYS A 109 -2.230 0.738 -19.118 1.00 2.78 H new ATOM 0 HD3 LYS A 109 -3.603 0.438 -18.071 1.00 2.78 H new ATOM 0 HE2 LYS A 109 -2.520 2.036 -16.368 1.00 3.68 H new ATOM 0 HE3 LYS A 109 -1.351 2.449 -17.606 1.00 3.68 H new ATOM 0 HZ1 LYS A 109 -2.921 4.057 -17.900 1.00 4.91 H new ATOM 0 HZ2 LYS A 109 -3.473 2.903 -19.016 1.00 4.91 H new ATOM 0 HZ3 LYS A 109 -4.224 3.045 -17.500 1.00 4.91 H new ATOM 1714 N VAL A 110 -2.556 -3.778 -14.469 1.00 1.21 N ATOM 1715 CA VAL A 110 -2.401 -4.452 -13.173 1.00 1.13 C ATOM 1716 C VAL A 110 -1.054 -5.177 -13.149 1.00 1.24 C ATOM 1717 O VAL A 110 -0.615 -5.660 -14.193 1.00 1.48 O ATOM 1718 CB VAL A 110 -3.591 -5.407 -12.903 1.00 1.15 C ATOM 1719 CG1 VAL A 110 -3.814 -6.434 -14.026 1.00 1.42 C ATOM 1720 CG2 VAL A 110 -3.490 -6.149 -11.562 1.00 1.06 C ATOM 0 H VAL A 110 -2.005 -4.217 -15.207 1.00 1.21 H new ATOM 0 HA VAL A 110 -2.409 -3.718 -12.368 1.00 1.13 H new ATOM 0 HB VAL A 110 -4.452 -4.739 -12.864 1.00 1.15 H new ATOM 0 HG11 VAL A 110 -4.662 -7.071 -13.774 1.00 1.42 H new ATOM 0 HG12 VAL A 110 -4.018 -5.912 -14.961 1.00 1.42 H new ATOM 0 HG13 VAL A 110 -2.921 -7.048 -14.140 1.00 1.42 H new ATOM 0 HG21 VAL A 110 -4.356 -6.799 -11.440 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -2.580 -6.749 -11.546 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -3.462 -5.426 -10.747 1.00 1.06 H new ATOM 1730 N LEU A 111 -0.398 -5.229 -11.985 1.00 1.09 N ATOM 1731 CA LEU A 111 0.857 -5.953 -11.766 1.00 1.13 C ATOM 1732 C LEU A 111 0.717 -6.887 -10.558 1.00 0.97 C ATOM 1733 O LEU A 111 0.659 -6.439 -9.415 1.00 1.12 O ATOM 1734 CB LEU A 111 2.011 -4.953 -11.544 1.00 1.38 C ATOM 1735 CG LEU A 111 2.358 -4.032 -12.730 1.00 1.68 C ATOM 1736 CD1 LEU A 111 3.476 -3.062 -12.315 1.00 2.34 C ATOM 1737 CD2 LEU A 111 2.821 -4.812 -13.971 1.00 2.06 C ATOM 0 H LEU A 111 -0.735 -4.755 -11.147 1.00 1.09 H new ATOM 0 HA LEU A 111 1.082 -6.554 -12.647 1.00 1.13 H new ATOM 0 HB2 LEU A 111 1.761 -4.327 -10.687 1.00 1.38 H new ATOM 0 HB3 LEU A 111 2.905 -5.517 -11.276 1.00 1.38 H new ATOM 0 HG LEU A 111 1.447 -3.494 -12.993 1.00 1.68 H new ATOM 0 HD11 LEU A 111 3.722 -2.410 -13.153 1.00 2.34 H new ATOM 0 HD12 LEU A 111 3.139 -2.458 -11.472 1.00 2.34 H new ATOM 0 HD13 LEU A 111 4.360 -3.629 -12.025 1.00 2.34 H new ATOM 0 HD21 LEU A 111 3.052 -4.113 -14.775 1.00 2.06 H new ATOM 0 HD22 LEU A 111 3.712 -5.390 -13.726 1.00 2.06 H new ATOM 0 HD23 LEU A 111 2.028 -5.487 -14.293 1.00 2.06 H new ATOM 1749 N LYS A 112 0.695 -8.199 -10.802 1.00 0.90 N ATOM 1750 CA LYS A 112 0.654 -9.215 -9.745 1.00 1.02 C ATOM 1751 C LYS A 112 2.069 -9.419 -9.158 1.00 1.14 C ATOM 1752 O LYS A 112 2.926 -10.039 -9.787 1.00 1.53 O ATOM 1753 CB LYS A 112 0.015 -10.500 -10.314 1.00 1.24 C ATOM 1754 CG LYS A 112 -0.645 -11.424 -9.270 1.00 1.58 C ATOM 1755 CD LYS A 112 0.266 -11.976 -8.162 1.00 2.03 C ATOM 1756 CE LYS A 112 1.487 -12.719 -8.717 1.00 2.86 C ATOM 1757 NZ LYS A 112 2.408 -13.123 -7.631 1.00 4.27 N ATOM 0 H LYS A 112 0.705 -8.590 -11.744 1.00 0.90 H new ATOM 0 HA LYS A 112 0.031 -8.895 -8.910 1.00 1.02 H new ATOM 0 HB2 LYS A 112 -0.736 -10.217 -11.051 1.00 1.24 H new ATOM 0 HB3 LYS A 112 0.783 -11.065 -10.842 1.00 1.24 H new ATOM 0 HG2 LYS A 112 -1.461 -10.876 -8.798 1.00 1.58 H new ATOM 0 HG3 LYS A 112 -1.090 -12.268 -9.796 1.00 1.58 H new ATOM 0 HD2 LYS A 112 0.602 -11.154 -7.530 1.00 2.03 H new ATOM 0 HD3 LYS A 112 -0.308 -12.651 -7.528 1.00 2.03 H new ATOM 0 HE2 LYS A 112 1.160 -13.601 -9.267 1.00 2.86 H new ATOM 0 HE3 LYS A 112 2.014 -12.080 -9.425 1.00 2.86 H new ATOM 0 HZ1 LYS A 112 3.370 -13.226 -8.012 1.00 4.27 H new ATOM 0 HZ2 LYS A 112 2.406 -12.397 -6.886 1.00 4.27 H new ATOM 0 HZ3 LYS A 112 2.096 -14.031 -7.231 1.00 4.27 H new ATOM 1771 N VAL A 113 2.312 -8.913 -7.952 1.00 0.92 N ATOM 1772 CA VAL A 113 3.569 -8.988 -7.188 1.00 0.93 C ATOM 1773 C VAL A 113 3.456 -9.994 -6.027 1.00 0.90 C ATOM 1774 O VAL A 113 2.451 -10.691 -5.893 1.00 1.16 O ATOM 1775 CB VAL A 113 4.002 -7.583 -6.688 1.00 0.96 C ATOM 1776 CG1 VAL A 113 4.281 -6.637 -7.869 1.00 1.14 C ATOM 1777 CG2 VAL A 113 2.984 -6.950 -5.725 1.00 1.18 C ATOM 0 H VAL A 113 1.591 -8.403 -7.441 1.00 0.92 H new ATOM 0 HA VAL A 113 4.348 -9.352 -7.858 1.00 0.93 H new ATOM 0 HB VAL A 113 4.924 -7.731 -6.126 1.00 0.96 H new ATOM 0 HG11 VAL A 113 4.582 -5.661 -7.490 1.00 1.14 H new ATOM 0 HG12 VAL A 113 5.080 -7.049 -8.485 1.00 1.14 H new ATOM 0 HG13 VAL A 113 3.378 -6.530 -8.471 1.00 1.14 H new ATOM 0 HG21 VAL A 113 3.342 -5.970 -5.410 1.00 1.18 H new ATOM 0 HG22 VAL A 113 2.024 -6.841 -6.230 1.00 1.18 H new ATOM 0 HG23 VAL A 113 2.863 -7.590 -4.851 1.00 1.18 H new ATOM 1787 N VAL A 114 4.501 -10.086 -5.200 1.00 0.90 N ATOM 1788 CA VAL A 114 4.546 -10.901 -3.976 1.00 0.89 C ATOM 1789 C VAL A 114 5.410 -10.185 -2.928 1.00 0.89 C ATOM 1790 O VAL A 114 6.392 -9.537 -3.289 1.00 1.05 O ATOM 1791 CB VAL A 114 5.049 -12.337 -4.278 1.00 1.07 C ATOM 1792 CG1 VAL A 114 6.530 -12.385 -4.701 1.00 1.65 C ATOM 1793 CG2 VAL A 114 4.819 -13.286 -3.090 1.00 2.15 C ATOM 0 H VAL A 114 5.370 -9.579 -5.367 1.00 0.90 H new ATOM 0 HA VAL A 114 3.540 -11.012 -3.572 1.00 0.89 H new ATOM 0 HB VAL A 114 4.453 -12.676 -5.125 1.00 1.07 H new ATOM 0 HG11 VAL A 114 6.819 -13.417 -4.898 1.00 1.65 H new ATOM 0 HG12 VAL A 114 6.670 -11.791 -5.604 1.00 1.65 H new ATOM 0 HG13 VAL A 114 7.150 -11.981 -3.901 1.00 1.65 H new ATOM 0 HG21 VAL A 114 5.185 -14.281 -3.343 1.00 2.15 H new ATOM 0 HG22 VAL A 114 5.355 -12.913 -2.217 1.00 2.15 H new ATOM 0 HG23 VAL A 114 3.753 -13.338 -2.867 1.00 2.15 H new ATOM 1803 N LEU A 115 5.035 -10.281 -1.649 1.00 0.83 N ATOM 1804 CA LEU A 115 5.742 -9.706 -0.493 1.00 0.91 C ATOM 1805 C LEU A 115 5.799 -10.739 0.652 1.00 0.90 C ATOM 1806 O LEU A 115 4.890 -11.569 0.753 1.00 1.02 O ATOM 1807 CB LEU A 115 4.981 -8.474 0.041 1.00 1.10 C ATOM 1808 CG LEU A 115 4.704 -7.339 -0.961 1.00 1.20 C ATOM 1809 CD1 LEU A 115 3.785 -6.318 -0.283 1.00 1.74 C ATOM 1810 CD2 LEU A 115 5.991 -6.641 -1.429 1.00 1.51 C ATOM 0 H LEU A 115 4.191 -10.785 -1.375 1.00 0.83 H new ATOM 0 HA LEU A 115 6.744 -9.426 -0.817 1.00 0.91 H new ATOM 0 HB2 LEU A 115 4.026 -8.813 0.442 1.00 1.10 H new ATOM 0 HB3 LEU A 115 5.548 -8.060 0.875 1.00 1.10 H new ATOM 0 HG LEU A 115 4.236 -7.769 -1.846 1.00 1.20 H new ATOM 0 HD11 LEU A 115 3.574 -5.503 -0.975 1.00 1.74 H new ATOM 0 HD12 LEU A 115 2.851 -6.802 0.003 1.00 1.74 H new ATOM 0 HD13 LEU A 115 4.275 -5.922 0.606 1.00 1.74 H new ATOM 0 HD21 LEU A 115 5.739 -5.849 -2.134 1.00 1.51 H new ATOM 0 HD22 LEU A 115 6.505 -6.212 -0.569 1.00 1.51 H new ATOM 0 HD23 LEU A 115 6.642 -7.367 -1.916 1.00 1.51 H new ATOM 1822 N PRO A 116 6.791 -10.649 1.556 1.00 0.87 N ATOM 1823 CA PRO A 116 6.746 -11.294 2.861 1.00 0.90 C ATOM 1824 C PRO A 116 5.868 -10.502 3.845 1.00 0.84 C ATOM 1825 O PRO A 116 5.726 -9.283 3.766 1.00 0.84 O ATOM 1826 CB PRO A 116 8.201 -11.318 3.336 1.00 0.99 C ATOM 1827 CG PRO A 116 8.772 -10.029 2.743 1.00 0.97 C ATOM 1828 CD PRO A 116 8.042 -9.918 1.402 1.00 0.91 C ATOM 0 HA PRO A 116 6.311 -12.292 2.804 1.00 0.90 H new ATOM 0 HB2 PRO A 116 8.271 -11.329 4.424 1.00 0.99 H new ATOM 0 HB3 PRO A 116 8.730 -12.199 2.974 1.00 0.99 H new ATOM 0 HG2 PRO A 116 8.576 -9.168 3.382 1.00 0.97 H new ATOM 0 HG3 PRO A 116 9.852 -10.089 2.611 1.00 0.97 H new ATOM 0 HD2 PRO A 116 7.854 -8.875 1.147 1.00 0.91 H new ATOM 0 HD3 PRO A 116 8.642 -10.340 0.596 1.00 0.91 H new ATOM 1836 N VAL A 117 5.330 -11.201 4.836 1.00 0.93 N ATOM 1837 CA VAL A 117 4.833 -10.670 6.094 1.00 0.99 C ATOM 1838 C VAL A 117 6.013 -10.569 7.078 1.00 0.95 C ATOM 1839 O VAL A 117 6.876 -11.443 7.116 1.00 1.03 O ATOM 1840 CB VAL A 117 3.723 -11.595 6.655 1.00 1.16 C ATOM 1841 CG1 VAL A 117 3.066 -10.920 7.857 1.00 1.36 C ATOM 1842 CG2 VAL A 117 2.595 -11.921 5.661 1.00 1.10 C ATOM 0 H VAL A 117 5.224 -12.214 4.777 1.00 0.93 H new ATOM 0 HA VAL A 117 4.400 -9.681 5.945 1.00 0.99 H new ATOM 0 HB VAL A 117 4.228 -12.528 6.904 1.00 1.16 H new ATOM 0 HG11 VAL A 117 2.284 -11.567 8.255 1.00 1.36 H new ATOM 0 HG12 VAL A 117 3.815 -10.740 8.628 1.00 1.36 H new ATOM 0 HG13 VAL A 117 2.629 -9.971 7.547 1.00 1.36 H new ATOM 0 HG21 VAL A 117 1.865 -12.573 6.140 1.00 1.10 H new ATOM 0 HG22 VAL A 117 2.107 -10.998 5.349 1.00 1.10 H new ATOM 0 HG23 VAL A 117 3.013 -12.424 4.789 1.00 1.10 H new ATOM 1852 N GLU A 118 6.036 -9.514 7.886 1.00 0.96 N ATOM 1853 CA GLU A 118 6.981 -9.260 8.981 1.00 1.03 C ATOM 1854 C GLU A 118 6.168 -9.077 10.285 1.00 1.26 C ATOM 1855 O GLU A 118 5.132 -9.720 10.427 1.00 2.07 O ATOM 1856 CB GLU A 118 7.835 -8.041 8.581 1.00 1.32 C ATOM 1857 CG GLU A 118 9.222 -8.019 9.224 1.00 1.96 C ATOM 1858 CD GLU A 118 9.999 -6.782 8.778 1.00 2.45 C ATOM 1859 OE1 GLU A 118 10.341 -6.682 7.588 1.00 3.10 O ATOM 1860 OE2 GLU A 118 10.236 -5.909 9.641 1.00 3.44 O ATOM 0 H GLU A 118 5.353 -8.762 7.792 1.00 0.96 H new ATOM 0 HA GLU A 118 7.670 -10.085 9.163 1.00 1.03 H new ATOM 0 HB2 GLU A 118 7.948 -8.028 7.497 1.00 1.32 H new ATOM 0 HB3 GLU A 118 7.303 -7.131 8.857 1.00 1.32 H new ATOM 0 HG2 GLU A 118 9.126 -8.023 10.310 1.00 1.96 H new ATOM 0 HG3 GLU A 118 9.771 -8.919 8.949 1.00 1.96 H new ATOM 1867 N ALA A 119 6.564 -8.218 11.230 1.00 1.30 N ATOM 1868 CA ALA A 119 5.740 -7.854 12.393 1.00 1.42 C ATOM 1869 C ALA A 119 6.113 -6.469 12.938 1.00 1.60 C ATOM 1870 O ALA A 119 7.223 -6.275 13.429 1.00 1.99 O ATOM 1871 CB ALA A 119 5.842 -8.935 13.475 1.00 1.71 C ATOM 0 H ALA A 119 7.471 -7.751 11.212 1.00 1.30 H new ATOM 0 HA ALA A 119 4.701 -7.794 12.070 1.00 1.42 H new ATOM 0 HB1 ALA A 119 5.228 -8.653 14.330 1.00 1.71 H new ATOM 0 HB2 ALA A 119 5.491 -9.886 13.074 1.00 1.71 H new ATOM 0 HB3 ALA A 119 6.880 -9.036 13.792 1.00 1.71 H new ATOM 1877 N ARG A 120 5.179 -5.521 12.807 1.00 2.01 N ATOM 1878 CA ARG A 120 5.283 -4.088 13.166 1.00 2.36 C ATOM 1879 C ARG A 120 4.022 -3.618 13.907 1.00 3.08 C ATOM 1880 O ARG A 120 3.866 -2.392 14.049 1.00 3.06 O ATOM 1881 CB ARG A 120 5.543 -3.263 11.874 1.00 2.65 C ATOM 1882 CG ARG A 120 6.994 -2.805 11.657 1.00 2.78 C ATOM 1883 CD ARG A 120 7.964 -3.983 11.741 1.00 2.93 C ATOM 1884 NE ARG A 120 9.180 -3.827 10.947 1.00 2.79 N ATOM 1885 CZ ARG A 120 10.325 -3.297 11.294 1.00 3.53 C ATOM 1886 NH1 ARG A 120 10.452 -2.477 12.300 1.00 4.49 N ATOM 1887 NH2 ARG A 120 11.368 -3.634 10.603 1.00 4.40 N ATOM 1888 OXT ARG A 120 3.155 -4.471 14.204 1.00 4.21 O ATOM 0 H ARG A 120 4.262 -5.743 12.420 1.00 2.01 H new ATOM 0 HA ARG A 120 6.119 -3.937 13.849 1.00 2.36 H new ATOM 0 HB2 ARG A 120 5.238 -3.861 11.015 1.00 2.65 H new ATOM 0 HB3 ARG A 120 4.902 -2.382 11.892 1.00 2.65 H new ATOM 0 HG2 ARG A 120 7.085 -2.325 10.683 1.00 2.78 H new ATOM 0 HG3 ARG A 120 7.258 -2.059 12.406 1.00 2.78 H new ATOM 0 HD2 ARG A 120 8.243 -4.133 12.784 1.00 2.93 H new ATOM 0 HD3 ARG A 120 7.447 -4.886 11.416 1.00 2.93 H new ATOM 0 HE ARG A 120 9.130 -4.179 9.991 1.00 2.79 H new ATOM 0 HH11 ARG A 120 9.636 -2.222 12.857 1.00 4.49 H new ATOM 0 HH12 ARG A 120 11.367 -2.090 12.530 1.00 4.49 H new ATOM 0 HH21 ARG A 120 11.275 -4.287 9.825 1.00 4.40 H new ATOM 0 HH22 ARG A 120 12.282 -3.246 10.837 1.00 4.40 H new TER 1902 ARG A 120