USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 645 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 23 HIS : no HE2:sc= -0.546 X(o=0.42,f=0.42) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.969 K(o=0.42,f=-0.31) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.768 K(o=-0.77,f=-0.039) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 27 SER OG : rot 28:sc= 1.19 USER MOD Single : A 28 SER OG : rot -10:sc= 0.268 USER MOD Single : A 31 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 1.27 (180deg=0.964) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.62) USER MOD Single : A 58 MET CE :methyl 172:sc= 0 (180deg=-0.133) USER MOD Single : A 65 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-5.7!) USER MOD Single : A 67 THR OG1 : rot -84:sc= 0.728 USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= 0.887 (180deg=-0.283) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= -0.0369 (180deg=-0.403) USER MOD Single : A 75 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.6) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.155 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.573 7.539 0.330 1.00 64.24 N ATOM 23 CA ARG A 3 -11.347 6.772 0.178 1.00 24.44 C ATOM 24 C ARG A 3 -10.524 6.812 1.446 1.00 44.02 C ATOM 25 O ARG A 3 -10.547 7.804 2.177 1.00 62.13 O ATOM 26 CB ARG A 3 -10.528 7.239 -1.029 1.00 44.05 C ATOM 27 CG ARG A 3 -10.212 8.738 -1.040 1.00 45.50 C ATOM 28 CD ARG A 3 -8.925 8.939 -1.838 1.00 25.24 C ATOM 29 NE ARG A 3 -8.641 10.347 -2.151 1.00 3.31 N ATOM 30 CZ ARG A 3 -8.276 11.322 -1.307 1.00 22.15 C ATOM 31 NH1 ARG A 3 -8.374 11.183 0.012 1.00 44.01 N ATOM 32 NH2 ARG A 3 -7.855 12.467 -1.818 1.00 3.31 N ATOM 0 HA ARG A 3 -11.631 5.736 -0.009 1.00 24.44 H new ATOM 0 HB2 ARG A 3 -9.591 6.683 -1.054 1.00 44.05 H new ATOM 0 HB3 ARG A 3 -11.071 6.988 -1.940 1.00 44.05 H new ATOM 0 HG2 ARG A 3 -11.032 9.298 -1.490 1.00 45.50 H new ATOM 0 HG3 ARG A 3 -10.093 9.111 -0.023 1.00 45.50 H new ATOM 0 HD2 ARG A 3 -8.089 8.525 -1.274 1.00 25.24 H new ATOM 0 HD3 ARG A 3 -8.992 8.375 -2.768 1.00 25.24 H new ATOM 0 HE ARG A 3 -8.733 10.615 -3.131 1.00 3.31 H new ATOM 0 HH11 ARG A 3 -8.735 10.315 0.408 1.00 44.01 H new ATOM 0 HH12 ARG A 3 -8.088 11.944 0.628 1.00 44.01 H new ATOM 0 HH21 ARG A 3 -7.815 12.590 -2.830 1.00 3.31 H new ATOM 0 HH22 ARG A 3 -7.571 13.227 -1.200 1.00 3.31 H new ATOM 46 N PHE A 4 -9.805 5.723 1.658 1.00 33.24 N ATOM 47 CA PHE A 4 -8.904 5.470 2.764 1.00 14.45 C ATOM 48 C PHE A 4 -7.516 5.406 2.129 1.00 72.03 C ATOM 49 O PHE A 4 -7.398 5.276 0.901 1.00 73.34 O ATOM 50 CB PHE A 4 -9.310 4.162 3.463 1.00 35.21 C ATOM 51 CG PHE A 4 -10.654 4.201 4.178 1.00 22.23 C ATOM 52 CD1 PHE A 4 -11.855 4.302 3.445 1.00 24.01 C ATOM 53 CD2 PHE A 4 -10.712 4.125 5.584 1.00 3.41 C ATOM 54 CE1 PHE A 4 -13.086 4.414 4.109 1.00 2.31 C ATOM 55 CE2 PHE A 4 -11.953 4.182 6.246 1.00 43.23 C ATOM 56 CZ PHE A 4 -13.138 4.352 5.510 1.00 32.44 C ATOM 0 H PHE A 4 -9.840 4.935 1.011 1.00 33.24 H new ATOM 0 HA PHE A 4 -8.928 6.237 3.538 1.00 14.45 H new ATOM 0 HB2 PHE A 4 -9.334 3.364 2.721 1.00 35.21 H new ATOM 0 HB3 PHE A 4 -8.538 3.901 4.187 1.00 35.21 H new ATOM 0 HD1 PHE A 4 -11.827 4.293 2.365 1.00 24.01 H new ATOM 0 HD2 PHE A 4 -9.801 4.023 6.155 1.00 3.41 H new ATOM 0 HE1 PHE A 4 -13.995 4.548 3.541 1.00 2.31 H new ATOM 0 HE2 PHE A 4 -11.994 4.095 7.322 1.00 43.23 H new ATOM 0 HZ PHE A 4 -14.086 4.435 6.021 1.00 32.44 H new ATOM 66 N ILE A 5 -6.464 5.525 2.932 1.00 2.33 N ATOM 67 CA ILE A 5 -5.089 5.506 2.459 1.00 12.12 C ATOM 68 C ILE A 5 -4.306 4.542 3.351 1.00 45.20 C ATOM 69 O ILE A 5 -4.623 4.367 4.530 1.00 3.24 O ATOM 70 CB ILE A 5 -4.521 6.954 2.456 1.00 62.15 C ATOM 71 CG1 ILE A 5 -5.334 7.929 1.560 1.00 2.13 C ATOM 72 CG2 ILE A 5 -3.051 7.019 1.983 1.00 53.22 C ATOM 73 CD1 ILE A 5 -5.365 9.350 2.119 1.00 54.43 C ATOM 0 H ILE A 5 -6.546 5.639 3.942 1.00 2.33 H new ATOM 0 HA ILE A 5 -5.012 5.151 1.431 1.00 12.12 H new ATOM 0 HB ILE A 5 -4.595 7.263 3.499 1.00 62.15 H new ATOM 0 HG12 ILE A 5 -4.901 7.945 0.560 1.00 2.13 H new ATOM 0 HG13 ILE A 5 -6.354 7.559 1.459 1.00 2.13 H new ATOM 0 HG21 ILE A 5 -2.708 8.054 2.001 1.00 53.22 H new ATOM 0 HG22 ILE A 5 -2.428 6.419 2.646 1.00 53.22 H new ATOM 0 HG23 ILE A 5 -2.978 6.631 0.967 1.00 53.22 H new ATOM 0 HD11 ILE A 5 -5.946 9.990 1.455 1.00 54.43 H new ATOM 0 HD12 ILE A 5 -5.824 9.342 3.108 1.00 54.43 H new ATOM 0 HD13 ILE A 5 -4.348 9.734 2.194 1.00 54.43 H new ATOM 85 N VAL A 6 -3.289 3.897 2.791 1.00 33.14 N ATOM 86 CA VAL A 6 -2.422 2.970 3.499 1.00 73.12 C ATOM 87 C VAL A 6 -1.011 3.539 3.398 1.00 24.13 C ATOM 88 O VAL A 6 -0.539 3.864 2.300 1.00 52.13 O ATOM 89 CB VAL A 6 -2.550 1.546 2.929 1.00 44.21 C ATOM 90 CG1 VAL A 6 -1.631 0.562 3.659 1.00 1.30 C ATOM 91 CG2 VAL A 6 -3.990 1.033 3.056 1.00 50.10 C ATOM 0 H VAL A 6 -3.041 4.009 1.808 1.00 33.14 H new ATOM 0 HA VAL A 6 -2.701 2.873 4.548 1.00 73.12 H new ATOM 0 HB VAL A 6 -2.262 1.604 1.879 1.00 44.21 H new ATOM 0 HG11 VAL A 6 -1.749 -0.433 3.229 1.00 1.30 H new ATOM 0 HG12 VAL A 6 -0.595 0.884 3.552 1.00 1.30 H new ATOM 0 HG13 VAL A 6 -1.894 0.534 4.716 1.00 1.30 H new ATOM 0 HG21 VAL A 6 -4.055 0.025 2.646 1.00 50.10 H new ATOM 0 HG22 VAL A 6 -4.279 1.017 4.107 1.00 50.10 H new ATOM 0 HG23 VAL A 6 -4.661 1.692 2.505 1.00 50.10 H new ATOM 101 N PHE A 7 -0.390 3.741 4.558 1.00 52.12 N ATOM 102 CA PHE A 7 0.960 4.243 4.695 1.00 53.52 C ATOM 103 C PHE A 7 1.863 3.021 4.655 1.00 51.42 C ATOM 104 O PHE A 7 1.576 2.015 5.309 1.00 31.01 O ATOM 105 CB PHE A 7 1.128 4.946 6.049 1.00 5.52 C ATOM 106 CG PHE A 7 2.537 5.449 6.324 1.00 62.03 C ATOM 107 CD1 PHE A 7 3.501 4.601 6.903 1.00 31.21 C ATOM 108 CD2 PHE A 7 2.899 6.767 5.994 1.00 71.32 C ATOM 109 CE1 PHE A 7 4.790 5.068 7.190 1.00 41.33 C ATOM 110 CE2 PHE A 7 4.201 7.228 6.243 1.00 32.20 C ATOM 111 CZ PHE A 7 5.139 6.381 6.854 1.00 73.33 C ATOM 0 H PHE A 7 -0.836 3.550 5.455 1.00 52.12 H new ATOM 0 HA PHE A 7 1.197 4.959 3.908 1.00 53.52 H new ATOM 0 HB2 PHE A 7 0.439 5.789 6.095 1.00 5.52 H new ATOM 0 HB3 PHE A 7 0.840 4.255 6.842 1.00 5.52 H new ATOM 0 HD1 PHE A 7 3.243 3.577 7.129 1.00 31.21 H new ATOM 0 HD2 PHE A 7 2.171 7.428 5.547 1.00 71.32 H new ATOM 0 HE1 PHE A 7 5.510 4.419 7.667 1.00 41.33 H new ATOM 0 HE2 PHE A 7 4.481 8.233 5.965 1.00 32.20 H new ATOM 0 HZ PHE A 7 6.134 6.744 7.066 1.00 73.33 H new ATOM 121 N VAL A 8 2.965 3.104 3.918 1.00 13.31 N ATOM 122 CA VAL A 8 3.929 2.020 3.810 1.00 44.12 C ATOM 123 C VAL A 8 5.296 2.687 3.917 1.00 54.42 C ATOM 124 O VAL A 8 5.500 3.678 3.210 1.00 20.34 O ATOM 125 CB VAL A 8 3.750 1.248 2.483 1.00 32.41 C ATOM 126 CG1 VAL A 8 4.546 -0.066 2.490 1.00 53.30 C ATOM 127 CG2 VAL A 8 2.284 0.910 2.169 1.00 63.21 C ATOM 0 H VAL A 8 3.214 3.931 3.376 1.00 13.31 H new ATOM 0 HA VAL A 8 3.800 1.272 4.592 1.00 44.12 H new ATOM 0 HB VAL A 8 4.124 1.922 1.712 1.00 32.41 H new ATOM 0 HG11 VAL A 8 4.399 -0.585 1.543 1.00 53.30 H new ATOM 0 HG12 VAL A 8 5.606 0.151 2.624 1.00 53.30 H new ATOM 0 HG13 VAL A 8 4.199 -0.697 3.308 1.00 53.30 H new ATOM 0 HG21 VAL A 8 2.230 0.369 1.225 1.00 63.21 H new ATOM 0 HG22 VAL A 8 1.875 0.290 2.967 1.00 63.21 H new ATOM 0 HG23 VAL A 8 1.706 1.831 2.093 1.00 63.21 H new ATOM 137 N GLY A 9 6.206 2.224 4.787 1.00 14.24 N ATOM 138 CA GLY A 9 7.534 2.834 4.912 1.00 62.43 C ATOM 139 C GLY A 9 8.660 1.812 5.041 1.00 50.32 C ATOM 140 O GLY A 9 8.431 0.604 4.980 1.00 74.25 O ATOM 0 H GLY A 9 6.046 1.433 5.411 1.00 14.24 H new ATOM 0 HA2 GLY A 9 7.721 3.462 4.041 1.00 62.43 H new ATOM 0 HA3 GLY A 9 7.545 3.488 5.784 1.00 62.43 H new ATOM 144 N SER A 10 9.884 2.323 5.200 1.00 12.22 N ATOM 145 CA SER A 10 11.147 1.593 5.302 1.00 34.32 C ATOM 146 C SER A 10 11.534 1.006 3.926 1.00 4.21 C ATOM 147 O SER A 10 12.411 0.151 3.835 1.00 45.02 O ATOM 148 CB SER A 10 11.079 0.534 6.420 1.00 1.15 C ATOM 149 OG SER A 10 12.138 0.648 7.355 1.00 14.20 O ATOM 0 H SER A 10 10.027 3.331 5.265 1.00 12.22 H new ATOM 0 HA SER A 10 11.943 2.281 5.587 1.00 34.32 H new ATOM 0 HB2 SER A 10 10.128 0.627 6.944 1.00 1.15 H new ATOM 0 HB3 SER A 10 11.101 -0.460 5.973 1.00 1.15 H new ATOM 0 HG SER A 10 12.045 -0.045 8.041 1.00 14.20 H new ATOM 155 N LEU A 11 10.897 1.455 2.838 1.00 1.12 N ATOM 156 CA LEU A 11 11.136 0.979 1.477 1.00 22.14 C ATOM 157 C LEU A 11 12.595 1.170 1.056 1.00 50.31 C ATOM 158 O LEU A 11 13.186 2.205 1.380 1.00 63.10 O ATOM 159 CB LEU A 11 10.218 1.682 0.459 1.00 70.15 C ATOM 160 CG LEU A 11 8.804 1.087 0.370 1.00 61.30 C ATOM 161 CD1 LEU A 11 8.054 1.123 1.704 1.00 4.15 C ATOM 162 CD2 LEU A 11 7.964 1.888 -0.618 1.00 54.32 C ATOM 0 H LEU A 11 10.181 2.180 2.885 1.00 1.12 H new ATOM 0 HA LEU A 11 10.908 -0.087 1.482 1.00 22.14 H new ATOM 0 HB2 LEU A 11 10.140 2.736 0.724 1.00 70.15 H new ATOM 0 HB3 LEU A 11 10.683 1.634 -0.526 1.00 70.15 H new ATOM 0 HG LEU A 11 8.938 0.051 0.059 1.00 61.30 H new ATOM 0 HD11 LEU A 11 7.062 0.689 1.576 1.00 4.15 H new ATOM 0 HD12 LEU A 11 8.607 0.550 2.448 1.00 4.15 H new ATOM 0 HD13 LEU A 11 7.957 2.156 2.039 1.00 4.15 H new ATOM 0 HD21 LEU A 11 6.963 1.460 -0.675 1.00 54.32 H new ATOM 0 HD22 LEU A 11 7.897 2.923 -0.283 1.00 54.32 H new ATOM 0 HD23 LEU A 11 8.430 1.854 -1.603 1.00 54.32 H new ATOM 174 N PRO A 12 13.167 0.211 0.307 1.00 62.12 N ATOM 175 CA PRO A 12 14.542 0.288 -0.171 1.00 34.43 C ATOM 176 C PRO A 12 14.717 1.442 -1.157 1.00 0.44 C ATOM 177 O PRO A 12 13.764 1.861 -1.810 1.00 32.12 O ATOM 178 CB PRO A 12 14.829 -1.045 -0.882 1.00 20.25 C ATOM 179 CG PRO A 12 13.474 -1.718 -1.066 1.00 55.14 C ATOM 180 CD PRO A 12 12.523 -1.026 -0.104 1.00 55.21 C ATOM 0 HA PRO A 12 15.226 0.463 0.660 1.00 34.43 H new ATOM 0 HB2 PRO A 12 15.317 -0.879 -1.843 1.00 20.25 H new ATOM 0 HB3 PRO A 12 15.498 -1.668 -0.289 1.00 20.25 H new ATOM 0 HG2 PRO A 12 13.127 -1.620 -2.095 1.00 55.14 H new ATOM 0 HG3 PRO A 12 13.537 -2.785 -0.851 1.00 55.14 H new ATOM 0 HD2 PRO A 12 11.567 -0.822 -0.586 1.00 55.21 H new ATOM 0 HD3 PRO A 12 12.317 -1.660 0.759 1.00 55.21 H new ATOM 188 N ARG A 13 15.945 1.938 -1.319 1.00 70.11 N ATOM 189 CA ARG A 13 16.210 3.021 -2.269 1.00 62.20 C ATOM 190 C ARG A 13 16.022 2.497 -3.693 1.00 54.14 C ATOM 191 O ARG A 13 15.508 3.218 -4.544 1.00 53.50 O ATOM 192 CB ARG A 13 17.632 3.582 -2.097 1.00 70.10 C ATOM 193 CG ARG A 13 17.733 4.722 -1.079 1.00 35.03 C ATOM 194 CD ARG A 13 17.626 4.264 0.379 1.00 31.50 C ATOM 195 NE ARG A 13 17.518 5.420 1.275 1.00 34.32 N ATOM 196 CZ ARG A 13 18.493 6.257 1.644 1.00 74.34 C ATOM 197 NH1 ARG A 13 19.770 5.979 1.422 1.00 63.14 N ATOM 198 NH2 ARG A 13 18.166 7.399 2.228 1.00 30.12 N ATOM 0 H ARG A 13 16.766 1.611 -0.810 1.00 70.11 H new ATOM 0 HA ARG A 13 15.508 3.832 -2.076 1.00 62.20 H new ATOM 0 HB2 ARG A 13 18.296 2.774 -1.789 1.00 70.10 H new ATOM 0 HB3 ARG A 13 17.990 3.938 -3.063 1.00 70.10 H new ATOM 0 HG2 ARG A 13 18.683 5.238 -1.219 1.00 35.03 H new ATOM 0 HG3 ARG A 13 16.944 5.447 -1.281 1.00 35.03 H new ATOM 0 HD2 ARG A 13 16.755 3.620 0.501 1.00 31.50 H new ATOM 0 HD3 ARG A 13 18.501 3.671 0.645 1.00 31.50 H new ATOM 0 HE ARG A 13 16.593 5.607 1.661 1.00 34.32 H new ATOM 0 HH11 ARG A 13 20.029 5.108 0.959 1.00 63.14 H new ATOM 0 HH12 ARG A 13 20.493 6.636 1.714 1.00 63.14 H new ATOM 0 HH21 ARG A 13 17.185 7.627 2.389 1.00 30.12 H new ATOM 0 HH22 ARG A 13 18.895 8.051 2.517 1.00 30.12 H new ATOM 212 N ASP A 14 16.375 1.233 -3.932 1.00 11.23 N ATOM 213 CA ASP A 14 16.281 0.549 -5.223 1.00 74.03 C ATOM 214 C ASP A 14 14.865 0.064 -5.553 1.00 15.25 C ATOM 215 O ASP A 14 14.686 -0.732 -6.469 1.00 40.12 O ATOM 216 CB ASP A 14 17.288 -0.615 -5.270 1.00 40.23 C ATOM 217 CG ASP A 14 18.317 -0.351 -6.363 1.00 71.21 C ATOM 218 OD1 ASP A 14 18.080 -0.704 -7.537 1.00 73.51 O ATOM 219 OD2 ASP A 14 19.319 0.317 -6.015 1.00 71.20 O ATOM 0 H ASP A 14 16.751 0.632 -3.199 1.00 11.23 H new ATOM 0 HA ASP A 14 16.530 1.281 -5.992 1.00 74.03 H new ATOM 0 HB2 ASP A 14 17.785 -0.720 -4.305 1.00 40.23 H new ATOM 0 HB3 ASP A 14 16.768 -1.553 -5.464 1.00 40.23 H new ATOM 224 N ILE A 15 13.851 0.447 -4.774 1.00 43.33 N ATOM 225 CA ILE A 15 12.457 0.056 -4.963 1.00 71.43 C ATOM 226 C ILE A 15 11.960 0.303 -6.402 1.00 2.13 C ATOM 227 O ILE A 15 12.330 1.301 -7.023 1.00 71.14 O ATOM 228 CB ILE A 15 11.612 0.775 -3.899 1.00 63.11 C ATOM 229 CG1 ILE A 15 10.152 0.303 -3.902 1.00 40.30 C ATOM 230 CG2 ILE A 15 11.670 2.302 -4.060 1.00 20.44 C ATOM 231 CD1 ILE A 15 9.992 -1.134 -3.427 1.00 15.11 C ATOM 0 H ILE A 15 13.985 1.058 -3.968 1.00 43.33 H new ATOM 0 HA ILE A 15 12.357 -1.021 -4.829 1.00 71.43 H new ATOM 0 HB ILE A 15 12.051 0.512 -2.936 1.00 63.11 H new ATOM 0 HG12 ILE A 15 9.562 0.959 -3.262 1.00 40.30 H new ATOM 0 HG13 ILE A 15 9.748 0.394 -4.910 1.00 40.30 H new ATOM 0 HG21 ILE A 15 11.060 2.773 -3.289 1.00 20.44 H new ATOM 0 HG22 ILE A 15 12.702 2.639 -3.962 1.00 20.44 H new ATOM 0 HG23 ILE A 15 11.289 2.579 -5.043 1.00 20.44 H new ATOM 0 HD11 ILE A 15 8.938 -1.410 -3.451 1.00 15.11 H new ATOM 0 HD12 ILE A 15 10.556 -1.798 -4.081 1.00 15.11 H new ATOM 0 HD13 ILE A 15 10.367 -1.224 -2.408 1.00 15.11 H new ATOM 243 N THR A 16 11.075 -0.561 -6.910 1.00 32.15 N ATOM 244 CA THR A 16 10.514 -0.473 -8.243 1.00 74.53 C ATOM 245 C THR A 16 9.000 -0.551 -8.181 1.00 54.32 C ATOM 246 O THR A 16 8.438 -1.254 -7.338 1.00 23.31 O ATOM 247 CB THR A 16 11.027 -1.644 -9.099 1.00 44.54 C ATOM 248 OG1 THR A 16 12.294 -2.101 -8.666 1.00 3.13 O ATOM 249 CG2 THR A 16 11.130 -1.291 -10.576 1.00 24.23 C ATOM 0 H THR A 16 10.725 -1.361 -6.382 1.00 32.15 H new ATOM 0 HA THR A 16 10.816 0.477 -8.683 1.00 74.53 H new ATOM 0 HB THR A 16 10.286 -2.433 -8.972 1.00 44.54 H new ATOM 0 HG1 THR A 16 12.585 -2.846 -9.233 1.00 3.13 H new ATOM 0 HG21 THR A 16 11.497 -2.154 -11.132 1.00 24.23 H new ATOM 0 HG22 THR A 16 10.147 -1.009 -10.952 1.00 24.23 H new ATOM 0 HG23 THR A 16 11.820 -0.457 -10.704 1.00 24.23 H new ATOM 257 N ALA A 17 8.357 0.097 -9.146 1.00 74.12 N ATOM 258 CA ALA A 17 6.920 0.115 -9.308 1.00 44.20 C ATOM 259 C ALA A 17 6.396 -1.312 -9.484 1.00 53.43 C ATOM 260 O ALA A 17 5.319 -1.615 -8.992 1.00 34.11 O ATOM 261 CB ALA A 17 6.627 0.912 -10.575 1.00 55.30 C ATOM 0 H ALA A 17 8.845 0.641 -9.858 1.00 74.12 H new ATOM 0 HA ALA A 17 6.439 0.557 -8.435 1.00 44.20 H new ATOM 0 HB1 ALA A 17 5.550 0.953 -10.738 1.00 55.30 H new ATOM 0 HB2 ALA A 17 7.016 1.924 -10.466 1.00 55.30 H new ATOM 0 HB3 ALA A 17 7.105 0.429 -11.427 1.00 55.30 H new ATOM 267 N VAL A 18 7.155 -2.187 -10.151 1.00 62.44 N ATOM 268 CA VAL A 18 6.766 -3.573 -10.397 1.00 20.23 C ATOM 269 C VAL A 18 6.581 -4.328 -9.082 1.00 64.10 C ATOM 270 O VAL A 18 5.648 -5.126 -8.972 1.00 62.12 O ATOM 271 CB VAL A 18 7.811 -4.285 -11.289 1.00 64.23 C ATOM 272 CG1 VAL A 18 7.352 -5.694 -11.695 1.00 53.35 C ATOM 273 CG2 VAL A 18 8.099 -3.504 -12.576 1.00 64.10 C ATOM 0 H VAL A 18 8.067 -1.947 -10.539 1.00 62.44 H new ATOM 0 HA VAL A 18 5.812 -3.567 -10.924 1.00 20.23 H new ATOM 0 HB VAL A 18 8.715 -4.346 -10.683 1.00 64.23 H new ATOM 0 HG11 VAL A 18 8.114 -6.159 -12.320 1.00 53.35 H new ATOM 0 HG12 VAL A 18 7.198 -6.298 -10.801 1.00 53.35 H new ATOM 0 HG13 VAL A 18 6.418 -5.626 -12.252 1.00 53.35 H new ATOM 0 HG21 VAL A 18 8.838 -4.042 -13.170 1.00 64.10 H new ATOM 0 HG22 VAL A 18 7.179 -3.398 -13.151 1.00 64.10 H new ATOM 0 HG23 VAL A 18 8.485 -2.516 -12.324 1.00 64.10 H new ATOM 283 N GLU A 19 7.471 -4.107 -8.109 1.00 2.21 N ATOM 284 CA GLU A 19 7.396 -4.789 -6.819 1.00 31.04 C ATOM 285 C GLU A 19 6.198 -4.243 -6.036 1.00 41.53 C ATOM 286 O GLU A 19 5.456 -4.986 -5.397 1.00 25.32 O ATOM 287 CB GLU A 19 8.742 -4.581 -6.105 1.00 31.14 C ATOM 288 CG GLU A 19 9.830 -5.529 -6.645 1.00 53.30 C ATOM 289 CD GLU A 19 9.759 -6.968 -6.109 1.00 63.11 C ATOM 290 OE1 GLU A 19 9.419 -7.170 -4.923 1.00 45.04 O ATOM 291 OE2 GLU A 19 10.086 -7.906 -6.864 1.00 74.14 O ATOM 0 H GLU A 19 8.253 -3.458 -8.194 1.00 2.21 H new ATOM 0 HA GLU A 19 7.234 -5.862 -6.923 1.00 31.04 H new ATOM 0 HB2 GLU A 19 9.065 -3.548 -6.232 1.00 31.14 H new ATOM 0 HB3 GLU A 19 8.615 -4.746 -5.035 1.00 31.14 H new ATOM 0 HG2 GLU A 19 9.759 -5.558 -7.732 1.00 53.30 H new ATOM 0 HG3 GLU A 19 10.808 -5.113 -6.400 1.00 53.30 H new ATOM 298 N LEU A 20 5.974 -2.933 -6.130 1.00 42.44 N ATOM 299 CA LEU A 20 4.876 -2.241 -5.472 1.00 62.32 C ATOM 300 C LEU A 20 3.533 -2.739 -5.998 1.00 65.40 C ATOM 301 O LEU A 20 2.638 -3.071 -5.219 1.00 74.43 O ATOM 302 CB LEU A 20 5.031 -0.729 -5.732 1.00 41.12 C ATOM 303 CG LEU A 20 5.274 0.093 -4.466 1.00 54.22 C ATOM 304 CD1 LEU A 20 6.571 -0.306 -3.762 1.00 35.21 C ATOM 305 CD2 LEU A 20 5.422 1.558 -4.872 1.00 54.02 C ATOM 0 H LEU A 20 6.568 -2.312 -6.680 1.00 42.44 H new ATOM 0 HA LEU A 20 4.904 -2.439 -4.401 1.00 62.32 H new ATOM 0 HB2 LEU A 20 5.861 -0.571 -6.421 1.00 41.12 H new ATOM 0 HB3 LEU A 20 4.132 -0.361 -6.226 1.00 41.12 H new ATOM 0 HG LEU A 20 4.436 -0.078 -3.791 1.00 54.22 H new ATOM 0 HD11 LEU A 20 6.702 0.304 -2.868 1.00 35.21 H new ATOM 0 HD12 LEU A 20 6.523 -1.358 -3.480 1.00 35.21 H new ATOM 0 HD13 LEU A 20 7.414 -0.149 -4.435 1.00 35.21 H new ATOM 0 HD21 LEU A 20 5.596 2.166 -3.984 1.00 54.02 H new ATOM 0 HD22 LEU A 20 6.265 1.663 -5.555 1.00 54.02 H new ATOM 0 HD23 LEU A 20 4.510 1.892 -5.367 1.00 54.02 H new ATOM 317 N GLN A 21 3.374 -2.747 -7.320 1.00 41.23 N ATOM 318 CA GLN A 21 2.163 -3.181 -7.990 1.00 12.44 C ATOM 319 C GLN A 21 1.899 -4.647 -7.654 1.00 4.33 C ATOM 320 O GLN A 21 0.765 -4.985 -7.349 1.00 42.34 O ATOM 321 CB GLN A 21 2.299 -2.961 -9.505 1.00 12.44 C ATOM 322 CG GLN A 21 2.423 -1.478 -9.918 1.00 35.03 C ATOM 323 CD GLN A 21 1.242 -0.834 -10.650 1.00 32.22 C ATOM 324 OE1 GLN A 21 1.382 0.281 -11.145 1.00 42.35 O ATOM 325 NE2 GLN A 21 0.076 -1.442 -10.774 1.00 42.12 N ATOM 0 H GLN A 21 4.104 -2.444 -7.965 1.00 41.23 H new ATOM 0 HA GLN A 21 1.312 -2.594 -7.645 1.00 12.44 H new ATOM 0 HB2 GLN A 21 3.176 -3.501 -9.863 1.00 12.44 H new ATOM 0 HB3 GLN A 21 1.432 -3.395 -10.004 1.00 12.44 H new ATOM 0 HG2 GLN A 21 2.615 -0.895 -9.017 1.00 35.03 H new ATOM 0 HG3 GLN A 21 3.303 -1.381 -10.554 1.00 35.03 H new ATOM 0 HE21 GLN A 21 -0.061 -2.369 -10.370 1.00 42.12 H new ATOM 0 HE22 GLN A 21 -0.687 -0.985 -11.273 1.00 42.12 H new ATOM 334 N ASN A 22 2.931 -5.495 -7.660 1.00 22.15 N ATOM 335 CA ASN A 22 2.826 -6.921 -7.370 1.00 32.34 C ATOM 336 C ASN A 22 2.388 -7.208 -5.936 1.00 40.45 C ATOM 337 O ASN A 22 1.417 -7.938 -5.744 1.00 20.45 O ATOM 338 CB ASN A 22 4.179 -7.590 -7.640 1.00 13.40 C ATOM 339 CG ASN A 22 4.151 -9.071 -7.303 1.00 30.03 C ATOM 340 OD1 ASN A 22 3.318 -9.807 -7.829 1.00 44.12 O ATOM 341 ND2 ASN A 22 5.081 -9.542 -6.497 1.00 44.25 N ATOM 0 H ASN A 22 3.884 -5.199 -7.872 1.00 22.15 H new ATOM 0 HA ASN A 22 2.054 -7.329 -8.023 1.00 32.34 H new ATOM 0 HB2 ASN A 22 4.446 -7.460 -8.689 1.00 13.40 H new ATOM 0 HB3 ASN A 22 4.953 -7.097 -7.051 1.00 13.40 H new ATOM 0 HD21 ASN A 22 5.123 -10.541 -6.295 1.00 44.25 H new ATOM 0 HD22 ASN A 22 5.759 -8.908 -6.075 1.00 44.25 H new ATOM 348 N HIS A 23 3.056 -6.638 -4.931 1.00 75.44 N ATOM 349 CA HIS A 23 2.694 -6.885 -3.535 1.00 71.34 C ATOM 350 C HIS A 23 1.249 -6.492 -3.248 1.00 63.13 C ATOM 351 O HIS A 23 0.483 -7.269 -2.679 1.00 21.41 O ATOM 352 CB HIS A 23 3.643 -6.143 -2.585 1.00 64.40 C ATOM 353 CG HIS A 23 4.608 -7.068 -1.902 1.00 11.02 C ATOM 354 ND1 HIS A 23 5.666 -7.713 -2.534 1.00 44.35 N ATOM 355 CD2 HIS A 23 4.586 -7.418 -0.584 1.00 25.22 C ATOM 356 CE1 HIS A 23 6.293 -8.396 -1.566 1.00 33.23 C ATOM 357 NE2 HIS A 23 5.643 -8.278 -0.396 1.00 44.13 N ATOM 0 H HIS A 23 3.846 -6.006 -5.057 1.00 75.44 H new ATOM 0 HA HIS A 23 2.790 -7.957 -3.362 1.00 71.34 H new ATOM 0 HB2 HIS A 23 4.199 -5.391 -3.145 1.00 64.40 H new ATOM 0 HB3 HIS A 23 3.059 -5.612 -1.833 1.00 64.40 H new ATOM 0 HD1 HIS A 23 5.912 -7.674 -3.523 1.00 44.35 H new ATOM 0 HD2 HIS A 23 3.880 -7.086 0.163 1.00 25.22 H new ATOM 0 HE1 HIS A 23 7.200 -8.965 -1.708 1.00 33.23 H new ATOM 365 N PHE A 24 0.853 -5.288 -3.659 1.00 13.25 N ATOM 366 CA PHE A 24 -0.499 -4.799 -3.424 1.00 73.04 C ATOM 367 C PHE A 24 -1.503 -5.227 -4.488 1.00 22.12 C ATOM 368 O PHE A 24 -2.681 -4.907 -4.335 1.00 35.32 O ATOM 369 CB PHE A 24 -0.457 -3.289 -3.175 1.00 65.42 C ATOM 370 CG PHE A 24 0.345 -2.924 -1.938 1.00 1.30 C ATOM 371 CD1 PHE A 24 -0.158 -3.223 -0.657 1.00 54.44 C ATOM 372 CD2 PHE A 24 1.602 -2.307 -2.061 1.00 65.13 C ATOM 373 CE1 PHE A 24 0.581 -2.883 0.490 1.00 23.34 C ATOM 374 CE2 PHE A 24 2.330 -1.937 -0.919 1.00 5.33 C ATOM 375 CZ PHE A 24 1.820 -2.231 0.360 1.00 23.51 C ATOM 0 H PHE A 24 1.455 -4.633 -4.158 1.00 13.25 H new ATOM 0 HA PHE A 24 -0.883 -5.277 -2.523 1.00 73.04 H new ATOM 0 HB2 PHE A 24 -0.024 -2.793 -4.044 1.00 65.42 H new ATOM 0 HB3 PHE A 24 -1.475 -2.914 -3.068 1.00 65.42 H new ATOM 0 HD1 PHE A 24 -1.114 -3.715 -0.555 1.00 54.44 H new ATOM 0 HD2 PHE A 24 2.011 -2.116 -3.042 1.00 65.13 H new ATOM 0 HE1 PHE A 24 0.197 -3.123 1.471 1.00 23.34 H new ATOM 0 HE2 PHE A 24 3.277 -1.429 -1.021 1.00 5.33 H new ATOM 0 HZ PHE A 24 2.380 -1.956 1.241 1.00 23.51 H new ATOM 385 N LYS A 25 -1.116 -6.013 -5.496 1.00 5.45 N ATOM 386 CA LYS A 25 -2.024 -6.465 -6.546 1.00 45.04 C ATOM 387 C LYS A 25 -3.258 -7.136 -5.964 1.00 13.45 C ATOM 388 O LYS A 25 -4.372 -6.782 -6.336 1.00 71.50 O ATOM 389 CB LYS A 25 -1.306 -7.367 -7.559 1.00 73.34 C ATOM 390 CG LYS A 25 -1.641 -6.928 -8.986 1.00 61.34 C ATOM 391 CD LYS A 25 -1.404 -8.013 -10.042 1.00 1.30 C ATOM 392 CE LYS A 25 -2.508 -9.077 -9.954 1.00 73.03 C ATOM 393 NZ LYS A 25 -3.076 -9.426 -11.269 1.00 45.31 N ATOM 0 H LYS A 25 -0.161 -6.353 -5.605 1.00 5.45 H new ATOM 0 HA LYS A 25 -2.365 -5.583 -7.088 1.00 45.04 H new ATOM 0 HB2 LYS A 25 -0.229 -7.320 -7.400 1.00 73.34 H new ATOM 0 HB3 LYS A 25 -1.605 -8.404 -7.410 1.00 73.34 H new ATOM 0 HG2 LYS A 25 -2.686 -6.619 -9.025 1.00 61.34 H new ATOM 0 HG3 LYS A 25 -1.041 -6.053 -9.237 1.00 61.34 H new ATOM 0 HD2 LYS A 25 -1.394 -7.568 -11.037 1.00 1.30 H new ATOM 0 HD3 LYS A 25 -0.429 -8.475 -9.889 1.00 1.30 H new ATOM 0 HE2 LYS A 25 -2.103 -9.976 -9.489 1.00 73.03 H new ATOM 0 HE3 LYS A 25 -3.305 -8.714 -9.305 1.00 73.03 H new ATOM 0 HZ1 LYS A 25 -3.815 -10.147 -11.147 1.00 45.31 H new ATOM 0 HZ2 LYS A 25 -3.489 -8.577 -11.705 1.00 45.31 H new ATOM 0 HZ3 LYS A 25 -2.325 -9.800 -11.883 1.00 45.31 H new ATOM 407 N ASN A 26 -3.085 -8.049 -5.004 1.00 31.11 N ATOM 408 CA ASN A 26 -4.213 -8.744 -4.378 1.00 13.12 C ATOM 409 C ASN A 26 -5.165 -7.765 -3.679 1.00 62.34 C ATOM 410 O ASN A 26 -6.375 -7.992 -3.655 1.00 24.31 O ATOM 411 CB ASN A 26 -3.713 -9.834 -3.419 1.00 42.23 C ATOM 412 CG ASN A 26 -3.148 -11.003 -4.207 1.00 25.31 C ATOM 413 OD1 ASN A 26 -3.869 -11.670 -4.939 1.00 65.25 O ATOM 414 ND2 ASN A 26 -1.864 -11.302 -4.127 1.00 11.53 N ATOM 0 H ASN A 26 -2.172 -8.324 -4.643 1.00 31.11 H new ATOM 0 HA ASN A 26 -4.787 -9.230 -5.167 1.00 13.12 H new ATOM 0 HB2 ASN A 26 -2.947 -9.426 -2.760 1.00 42.23 H new ATOM 0 HB3 ASN A 26 -4.531 -10.175 -2.785 1.00 42.23 H new ATOM 0 HD21 ASN A 26 -1.486 -12.078 -4.670 1.00 11.53 H new ATOM 0 HD22 ASN A 26 -1.250 -10.756 -3.522 1.00 11.53 H new ATOM 421 N SER A 27 -4.645 -6.679 -3.105 1.00 42.32 N ATOM 422 CA SER A 27 -5.440 -5.654 -2.429 1.00 64.01 C ATOM 423 C SER A 27 -6.005 -4.623 -3.428 1.00 55.15 C ATOM 424 O SER A 27 -6.877 -3.848 -3.060 1.00 43.04 O ATOM 425 CB SER A 27 -4.608 -5.005 -1.312 1.00 23.20 C ATOM 426 OG SER A 27 -3.254 -4.818 -1.682 1.00 42.51 O ATOM 0 H SER A 27 -3.644 -6.484 -3.097 1.00 42.32 H new ATOM 0 HA SER A 27 -6.308 -6.125 -1.967 1.00 64.01 H new ATOM 0 HB2 SER A 27 -5.046 -4.042 -1.050 1.00 23.20 H new ATOM 0 HB3 SER A 27 -4.654 -5.629 -0.420 1.00 23.20 H new ATOM 0 HG SER A 27 -3.192 -4.713 -2.654 1.00 42.51 H new ATOM 432 N SER A 28 -5.560 -4.637 -4.687 1.00 50.04 N ATOM 433 CA SER A 28 -5.977 -3.754 -5.782 1.00 12.25 C ATOM 434 C SER A 28 -6.119 -2.273 -5.373 1.00 60.14 C ATOM 435 O SER A 28 -7.237 -1.744 -5.359 1.00 12.03 O ATOM 436 CB SER A 28 -7.268 -4.266 -6.436 1.00 12.25 C ATOM 437 OG SER A 28 -7.206 -5.635 -6.780 1.00 34.30 O ATOM 0 H SER A 28 -4.854 -5.308 -4.989 1.00 50.04 H new ATOM 0 HA SER A 28 -5.168 -3.785 -6.512 1.00 12.25 H new ATOM 0 HB2 SER A 28 -8.103 -4.106 -5.754 1.00 12.25 H new ATOM 0 HB3 SER A 28 -7.472 -3.680 -7.332 1.00 12.25 H new ATOM 0 HG SER A 28 -6.286 -5.957 -6.676 1.00 34.30 H new ATOM 443 N PRO A 29 -5.008 -1.578 -5.064 1.00 70.32 N ATOM 444 CA PRO A 29 -5.035 -0.172 -4.686 1.00 33.33 C ATOM 445 C PRO A 29 -5.535 0.663 -5.862 1.00 75.51 C ATOM 446 O PRO A 29 -5.511 0.220 -7.018 1.00 14.41 O ATOM 447 CB PRO A 29 -3.600 0.184 -4.292 1.00 62.43 C ATOM 448 CG PRO A 29 -2.759 -0.839 -5.051 1.00 71.34 C ATOM 449 CD PRO A 29 -3.647 -2.075 -5.048 1.00 71.32 C ATOM 0 HA PRO A 29 -5.711 0.028 -3.855 1.00 33.33 H new ATOM 0 HB2 PRO A 29 -3.346 1.205 -4.579 1.00 62.43 H new ATOM 0 HB3 PRO A 29 -3.449 0.109 -3.215 1.00 62.43 H new ATOM 0 HG2 PRO A 29 -2.534 -0.505 -6.064 1.00 71.34 H new ATOM 0 HG3 PRO A 29 -1.805 -1.025 -4.557 1.00 71.34 H new ATOM 0 HD2 PRO A 29 -3.449 -2.702 -5.917 1.00 71.32 H new ATOM 0 HD3 PRO A 29 -3.464 -2.687 -4.165 1.00 71.32 H new ATOM 457 N ASP A 30 -6.034 1.857 -5.578 1.00 0.32 N ATOM 458 CA ASP A 30 -6.554 2.776 -6.571 1.00 44.44 C ATOM 459 C ASP A 30 -5.431 3.682 -7.036 1.00 14.33 C ATOM 460 O ASP A 30 -5.318 3.969 -8.228 1.00 23.10 O ATOM 461 CB ASP A 30 -7.681 3.636 -5.999 1.00 12.25 C ATOM 462 CG ASP A 30 -8.314 4.427 -7.139 1.00 51.43 C ATOM 463 OD1 ASP A 30 -8.714 3.806 -8.146 1.00 41.42 O ATOM 464 OD2 ASP A 30 -8.354 5.672 -7.058 1.00 71.52 O ATOM 0 H ASP A 30 -6.088 2.219 -4.626 1.00 0.32 H new ATOM 0 HA ASP A 30 -6.954 2.195 -7.402 1.00 44.44 H new ATOM 0 HB2 ASP A 30 -8.428 3.008 -5.514 1.00 12.25 H new ATOM 0 HB3 ASP A 30 -7.292 4.313 -5.239 1.00 12.25 H new ATOM 469 N GLN A 31 -4.546 4.061 -6.110 1.00 21.33 N ATOM 470 CA GLN A 31 -3.418 4.929 -6.378 1.00 2.54 C ATOM 471 C GLN A 31 -2.119 4.307 -5.885 1.00 44.22 C ATOM 472 O GLN A 31 -2.144 3.480 -4.975 1.00 41.00 O ATOM 473 CB GLN A 31 -3.662 6.289 -5.710 1.00 20.55 C ATOM 474 CG GLN A 31 -3.310 7.472 -6.607 1.00 14.34 C ATOM 475 CD GLN A 31 -4.241 7.541 -7.814 1.00 24.54 C ATOM 476 OE1 GLN A 31 -5.457 7.548 -7.682 1.00 32.44 O ATOM 477 NE2 GLN A 31 -3.698 7.569 -9.014 1.00 4.22 N ATOM 0 H GLN A 31 -4.603 3.762 -5.137 1.00 21.33 H new ATOM 0 HA GLN A 31 -3.322 5.068 -7.455 1.00 2.54 H new ATOM 0 HB2 GLN A 31 -4.710 6.361 -5.420 1.00 20.55 H new ATOM 0 HB3 GLN A 31 -3.073 6.348 -4.795 1.00 20.55 H new ATOM 0 HG2 GLN A 31 -3.379 8.398 -6.037 1.00 14.34 H new ATOM 0 HG3 GLN A 31 -2.278 7.382 -6.945 1.00 14.34 H new ATOM 0 HE21 GLN A 31 -2.683 7.563 -9.115 1.00 4.22 H new ATOM 0 HE22 GLN A 31 -4.293 7.597 -9.842 1.00 4.22 H new ATOM 486 N ILE A 32 -0.991 4.714 -6.476 1.00 22.15 N ATOM 487 CA ILE A 32 0.341 4.227 -6.138 1.00 45.34 C ATOM 488 C ILE A 32 1.302 5.417 -6.294 1.00 74.15 C ATOM 489 O ILE A 32 1.447 5.937 -7.406 1.00 61.43 O ATOM 490 CB ILE A 32 0.725 3.024 -7.050 1.00 65.21 C ATOM 491 CG1 ILE A 32 -0.267 1.840 -6.894 1.00 43.23 C ATOM 492 CG2 ILE A 32 2.157 2.534 -6.767 1.00 61.34 C ATOM 493 CD1 ILE A 32 -0.013 0.646 -7.817 1.00 71.11 C ATOM 0 H ILE A 32 -0.984 5.410 -7.222 1.00 22.15 H new ATOM 0 HA ILE A 32 0.388 3.853 -5.115 1.00 45.34 H new ATOM 0 HB ILE A 32 0.672 3.388 -8.076 1.00 65.21 H new ATOM 0 HG12 ILE A 32 -0.233 1.493 -5.861 1.00 43.23 H new ATOM 0 HG13 ILE A 32 -1.277 2.208 -7.074 1.00 43.23 H new ATOM 0 HG21 ILE A 32 2.390 1.694 -7.422 1.00 61.34 H new ATOM 0 HG22 ILE A 32 2.862 3.345 -6.952 1.00 61.34 H new ATOM 0 HG23 ILE A 32 2.234 2.216 -5.727 1.00 61.34 H new ATOM 0 HD11 ILE A 32 -0.760 -0.125 -7.628 1.00 71.11 H new ATOM 0 HD12 ILE A 32 -0.079 0.969 -8.856 1.00 71.11 H new ATOM 0 HD13 ILE A 32 0.981 0.243 -7.625 1.00 71.11 H new ATOM 505 N ARG A 33 1.926 5.878 -5.205 1.00 3.41 N ATOM 506 CA ARG A 33 2.875 6.987 -5.178 1.00 75.14 C ATOM 507 C ARG A 33 4.045 6.596 -4.290 1.00 71.10 C ATOM 508 O ARG A 33 3.919 6.594 -3.067 1.00 74.13 O ATOM 509 CB ARG A 33 2.188 8.261 -4.657 1.00 5.02 C ATOM 510 CG ARG A 33 2.580 9.525 -5.426 1.00 72.24 C ATOM 511 CD ARG A 33 4.045 9.980 -5.285 1.00 64.20 C ATOM 512 NE ARG A 33 4.894 9.548 -6.413 1.00 43.41 N ATOM 513 CZ ARG A 33 4.743 9.916 -7.696 1.00 61.31 C ATOM 514 NH1 ARG A 33 3.877 10.860 -8.054 1.00 22.53 N ATOM 515 NH2 ARG A 33 5.461 9.310 -8.629 1.00 11.51 N ATOM 0 H ARG A 33 1.775 5.469 -4.283 1.00 3.41 H new ATOM 0 HA ARG A 33 3.239 7.197 -6.184 1.00 75.14 H new ATOM 0 HB2 ARG A 33 1.107 8.131 -4.715 1.00 5.02 H new ATOM 0 HB3 ARG A 33 2.437 8.394 -3.604 1.00 5.02 H new ATOM 0 HG2 ARG A 33 2.372 9.361 -6.483 1.00 72.24 H new ATOM 0 HG3 ARG A 33 1.935 10.340 -5.097 1.00 72.24 H new ATOM 0 HD2 ARG A 33 4.076 11.067 -5.209 1.00 64.20 H new ATOM 0 HD3 ARG A 33 4.455 9.584 -4.356 1.00 64.20 H new ATOM 0 HE ARG A 33 5.664 8.914 -6.199 1.00 43.41 H new ATOM 0 HH11 ARG A 33 3.307 11.324 -7.347 1.00 22.53 H new ATOM 0 HH12 ARG A 33 3.783 11.120 -9.036 1.00 22.53 H new ATOM 0 HH21 ARG A 33 6.118 8.574 -8.369 1.00 11.51 H new ATOM 0 HH22 ARG A 33 5.357 9.579 -9.607 1.00 11.51 H new ATOM 529 N LEU A 34 5.178 6.265 -4.896 1.00 42.30 N ATOM 530 CA LEU A 34 6.403 5.879 -4.210 1.00 73.05 C ATOM 531 C LEU A 34 7.228 7.140 -3.956 1.00 14.43 C ATOM 532 O LEU A 34 7.563 7.845 -4.908 1.00 53.31 O ATOM 533 CB LEU A 34 7.135 4.830 -5.080 1.00 22.15 C ATOM 534 CG LEU A 34 8.471 4.252 -4.553 1.00 64.41 C ATOM 535 CD1 LEU A 34 9.642 5.106 -5.045 1.00 31.13 C ATOM 536 CD2 LEU A 34 8.509 4.149 -3.031 1.00 10.23 C ATOM 0 H LEU A 34 5.272 6.258 -5.912 1.00 42.30 H new ATOM 0 HA LEU A 34 6.211 5.418 -3.241 1.00 73.05 H new ATOM 0 HB2 LEU A 34 6.452 3.996 -5.243 1.00 22.15 H new ATOM 0 HB3 LEU A 34 7.327 5.280 -6.054 1.00 22.15 H new ATOM 0 HG LEU A 34 8.557 3.239 -4.946 1.00 64.41 H new ATOM 0 HD11 LEU A 34 10.578 4.692 -4.669 1.00 31.13 H new ATOM 0 HD12 LEU A 34 9.658 5.108 -6.135 1.00 31.13 H new ATOM 0 HD13 LEU A 34 9.526 6.127 -4.682 1.00 31.13 H new ATOM 0 HD21 LEU A 34 9.469 3.738 -2.718 1.00 10.23 H new ATOM 0 HD22 LEU A 34 8.380 5.140 -2.596 1.00 10.23 H new ATOM 0 HD23 LEU A 34 7.706 3.496 -2.690 1.00 10.23 H new ATOM 548 N ARG A 35 7.523 7.465 -2.693 1.00 53.23 N ATOM 549 CA ARG A 35 8.327 8.613 -2.287 1.00 2.10 C ATOM 550 C ARG A 35 9.642 8.055 -1.763 1.00 11.33 C ATOM 551 O ARG A 35 9.830 7.855 -0.556 1.00 75.02 O ATOM 552 CB ARG A 35 7.614 9.495 -1.252 1.00 10.44 C ATOM 553 CG ARG A 35 6.828 10.619 -1.938 1.00 32.20 C ATOM 554 CD ARG A 35 6.667 11.795 -0.976 1.00 62.42 C ATOM 555 NE ARG A 35 6.187 12.979 -1.693 1.00 52.42 N ATOM 556 CZ ARG A 35 6.886 14.093 -1.940 1.00 21.52 C ATOM 557 NH1 ARG A 35 8.127 14.261 -1.478 1.00 44.14 N ATOM 558 NH2 ARG A 35 6.330 15.039 -2.681 1.00 34.32 N ATOM 0 H ARG A 35 7.195 6.914 -1.900 1.00 53.23 H new ATOM 0 HA ARG A 35 8.500 9.276 -3.135 1.00 2.10 H new ATOM 0 HB2 ARG A 35 6.937 8.885 -0.654 1.00 10.44 H new ATOM 0 HB3 ARG A 35 8.346 9.923 -0.568 1.00 10.44 H new ATOM 0 HG2 ARG A 35 7.349 10.942 -2.839 1.00 32.20 H new ATOM 0 HG3 ARG A 35 5.849 10.254 -2.249 1.00 32.20 H new ATOM 0 HD2 ARG A 35 5.965 11.532 -0.184 1.00 62.42 H new ATOM 0 HD3 ARG A 35 7.621 12.014 -0.497 1.00 62.42 H new ATOM 0 HE ARG A 35 5.227 12.952 -2.037 1.00 52.42 H new ATOM 0 HH11 ARG A 35 8.567 13.529 -0.920 1.00 44.14 H new ATOM 0 HH12 ARG A 35 8.635 15.121 -1.683 1.00 44.14 H new ATOM 0 HH21 ARG A 35 5.388 14.910 -3.050 1.00 34.32 H new ATOM 0 HH22 ARG A 35 6.844 15.897 -2.883 1.00 34.32 H new ATOM 572 N ALA A 36 10.564 7.795 -2.690 1.00 34.24 N ATOM 573 CA ALA A 36 11.876 7.260 -2.365 1.00 12.23 C ATOM 574 C ALA A 36 12.629 8.178 -1.401 1.00 0.35 C ATOM 575 O ALA A 36 13.384 7.665 -0.575 1.00 2.24 O ATOM 576 CB ALA A 36 12.679 7.053 -3.646 1.00 22.24 C ATOM 0 H ALA A 36 10.417 7.951 -3.687 1.00 34.24 H new ATOM 0 HA ALA A 36 11.742 6.300 -1.866 1.00 12.23 H new ATOM 0 HB1 ALA A 36 13.662 6.652 -3.399 1.00 22.24 H new ATOM 0 HB2 ALA A 36 12.154 6.352 -4.295 1.00 22.24 H new ATOM 0 HB3 ALA A 36 12.795 8.007 -4.161 1.00 22.24 H new ATOM 582 N ASP A 37 12.374 9.496 -1.436 1.00 12.15 N ATOM 583 CA ASP A 37 13.026 10.483 -0.571 1.00 51.35 C ATOM 584 C ASP A 37 12.915 10.166 0.922 1.00 40.13 C ATOM 585 O ASP A 37 13.814 10.532 1.686 1.00 31.51 O ATOM 586 CB ASP A 37 12.556 11.920 -0.851 1.00 10.31 C ATOM 587 CG ASP A 37 11.200 12.305 -0.249 1.00 53.34 C ATOM 588 OD1 ASP A 37 11.182 12.677 0.948 1.00 62.02 O ATOM 589 OD2 ASP A 37 10.194 12.319 -0.993 1.00 53.31 O ATOM 0 H ASP A 37 11.697 9.909 -2.078 1.00 12.15 H new ATOM 0 HA ASP A 37 14.082 10.414 -0.832 1.00 51.35 H new ATOM 0 HB2 ASP A 37 13.310 12.610 -0.472 1.00 10.31 H new ATOM 0 HB3 ASP A 37 12.507 12.063 -1.930 1.00 10.31 H new ATOM 594 N LYS A 38 11.877 9.448 1.348 1.00 31.34 N ATOM 595 CA LYS A 38 11.669 9.065 2.742 1.00 43.52 C ATOM 596 C LYS A 38 11.448 7.557 2.876 1.00 65.45 C ATOM 597 O LYS A 38 11.097 7.105 3.967 1.00 22.00 O ATOM 598 CB LYS A 38 10.521 9.907 3.331 1.00 2.03 C ATOM 599 CG LYS A 38 10.998 11.165 4.059 1.00 3.24 C ATOM 600 CD LYS A 38 11.667 10.836 5.404 1.00 64.43 C ATOM 601 CE LYS A 38 11.701 12.095 6.269 1.00 0.52 C ATOM 602 NZ LYS A 38 12.355 11.867 7.574 1.00 23.13 N ATOM 0 H LYS A 38 11.145 9.111 0.723 1.00 31.34 H new ATOM 0 HA LYS A 38 12.566 9.277 3.324 1.00 43.52 H new ATOM 0 HB2 LYS A 38 9.844 10.197 2.527 1.00 2.03 H new ATOM 0 HB3 LYS A 38 9.948 9.291 4.024 1.00 2.03 H new ATOM 0 HG2 LYS A 38 11.703 11.704 3.426 1.00 3.24 H new ATOM 0 HG3 LYS A 38 10.150 11.829 4.229 1.00 3.24 H new ATOM 0 HD2 LYS A 38 11.117 10.045 5.914 1.00 64.43 H new ATOM 0 HD3 LYS A 38 12.679 10.466 5.240 1.00 64.43 H new ATOM 0 HE2 LYS A 38 12.229 12.885 5.735 1.00 0.52 H new ATOM 0 HE3 LYS A 38 10.682 12.447 6.433 1.00 0.52 H new ATOM 0 HZ1 LYS A 38 12.352 12.751 8.123 1.00 23.13 H new ATOM 0 HZ2 LYS A 38 11.838 11.133 8.098 1.00 23.13 H new ATOM 0 HZ3 LYS A 38 13.336 11.557 7.421 1.00 23.13 H new ATOM 616 N GLY A 39 11.651 6.787 1.800 1.00 54.03 N ATOM 617 CA GLY A 39 11.474 5.341 1.766 1.00 63.14 C ATOM 618 C GLY A 39 10.060 4.982 2.181 1.00 1.10 C ATOM 619 O GLY A 39 9.877 4.112 3.022 1.00 45.13 O ATOM 0 H GLY A 39 11.952 7.171 0.904 1.00 54.03 H new ATOM 0 HA2 GLY A 39 11.674 4.965 0.762 1.00 63.14 H new ATOM 0 HA3 GLY A 39 12.190 4.863 2.434 1.00 63.14 H new ATOM 623 N ILE A 40 9.062 5.648 1.610 1.00 23.25 N ATOM 624 CA ILE A 40 7.654 5.446 1.905 1.00 4.25 C ATOM 625 C ILE A 40 6.852 5.497 0.622 1.00 31.32 C ATOM 626 O ILE A 40 7.372 5.845 -0.438 1.00 61.04 O ATOM 627 CB ILE A 40 7.134 6.542 2.870 1.00 43.40 C ATOM 628 CG1 ILE A 40 7.752 7.897 2.510 1.00 60.44 C ATOM 629 CG2 ILE A 40 7.425 6.208 4.340 1.00 41.55 C ATOM 630 CD1 ILE A 40 6.967 9.111 2.996 1.00 71.01 C ATOM 0 H ILE A 40 9.220 6.368 0.905 1.00 23.25 H new ATOM 0 HA ILE A 40 7.539 4.471 2.379 1.00 4.25 H new ATOM 0 HB ILE A 40 6.051 6.589 2.753 1.00 43.40 H new ATOM 0 HG12 ILE A 40 8.758 7.943 2.926 1.00 60.44 H new ATOM 0 HG13 ILE A 40 7.852 7.958 1.426 1.00 60.44 H new ATOM 0 HG21 ILE A 40 7.042 7.005 4.977 1.00 41.55 H new ATOM 0 HG22 ILE A 40 6.939 5.268 4.603 1.00 41.55 H new ATOM 0 HG23 ILE A 40 8.501 6.113 4.485 1.00 41.55 H new ATOM 0 HD11 ILE A 40 7.483 10.023 2.694 1.00 71.01 H new ATOM 0 HD12 ILE A 40 5.968 9.097 2.560 1.00 71.01 H new ATOM 0 HD13 ILE A 40 6.888 9.082 4.083 1.00 71.01 H new ATOM 642 N ALA A 41 5.580 5.149 0.732 1.00 52.14 N ATOM 643 CA ALA A 41 4.632 5.153 -0.348 1.00 34.33 C ATOM 644 C ALA A 41 3.256 5.506 0.217 1.00 32.42 C ATOM 645 O ALA A 41 3.060 5.543 1.438 1.00 23.24 O ATOM 646 CB ALA A 41 4.638 3.779 -1.022 1.00 41.13 C ATOM 0 H ALA A 41 5.173 4.845 1.616 1.00 52.14 H new ATOM 0 HA ALA A 41 4.894 5.895 -1.102 1.00 34.33 H new ATOM 0 HB1 ALA A 41 3.921 3.773 -1.843 1.00 41.13 H new ATOM 0 HB2 ALA A 41 5.635 3.568 -1.409 1.00 41.13 H new ATOM 0 HB3 ALA A 41 4.362 3.016 -0.294 1.00 41.13 H new ATOM 652 N PHE A 42 2.317 5.778 -0.683 1.00 62.14 N ATOM 653 CA PHE A 42 0.936 6.107 -0.384 1.00 15.14 C ATOM 654 C PHE A 42 0.116 5.280 -1.358 1.00 4.53 C ATOM 655 O PHE A 42 0.471 5.193 -2.541 1.00 22.30 O ATOM 656 CB PHE A 42 0.620 7.594 -0.614 1.00 21.03 C ATOM 657 CG PHE A 42 1.400 8.589 0.221 1.00 74.51 C ATOM 658 CD1 PHE A 42 2.707 8.947 -0.157 1.00 24.22 C ATOM 659 CD2 PHE A 42 0.803 9.202 1.340 1.00 12.02 C ATOM 660 CE1 PHE A 42 3.412 9.912 0.580 1.00 52.41 C ATOM 661 CE2 PHE A 42 1.507 10.179 2.066 1.00 74.02 C ATOM 662 CZ PHE A 42 2.808 10.540 1.682 1.00 54.23 C ATOM 0 H PHE A 42 2.511 5.774 -1.684 1.00 62.14 H new ATOM 0 HA PHE A 42 0.719 5.901 0.664 1.00 15.14 H new ATOM 0 HB2 PHE A 42 0.794 7.821 -1.666 1.00 21.03 H new ATOM 0 HB3 PHE A 42 -0.442 7.750 -0.426 1.00 21.03 H new ATOM 0 HD1 PHE A 42 3.168 8.479 -1.014 1.00 24.22 H new ATOM 0 HD2 PHE A 42 -0.196 8.921 1.640 1.00 12.02 H new ATOM 0 HE1 PHE A 42 4.422 10.172 0.299 1.00 52.41 H new ATOM 0 HE2 PHE A 42 1.046 10.652 2.920 1.00 74.02 H new ATOM 0 HZ PHE A 42 3.344 11.299 2.233 1.00 54.23 H new ATOM 672 N LEU A 43 -0.965 4.679 -0.879 1.00 51.33 N ATOM 673 CA LEU A 43 -1.857 3.867 -1.687 1.00 23.21 C ATOM 674 C LEU A 43 -3.259 4.251 -1.273 1.00 11.31 C ATOM 675 O LEU A 43 -3.570 4.136 -0.090 1.00 34.13 O ATOM 676 CB LEU A 43 -1.615 2.366 -1.478 1.00 50.22 C ATOM 677 CG LEU A 43 -0.238 1.893 -1.972 1.00 12.14 C ATOM 678 CD1 LEU A 43 0.776 1.795 -0.828 1.00 74.13 C ATOM 679 CD2 LEU A 43 -0.343 0.539 -2.661 1.00 45.14 C ATOM 0 H LEU A 43 -1.249 4.745 0.098 1.00 51.33 H new ATOM 0 HA LEU A 43 -1.686 4.048 -2.748 1.00 23.21 H new ATOM 0 HB2 LEU A 43 -1.711 2.135 -0.417 1.00 50.22 H new ATOM 0 HB3 LEU A 43 -2.391 1.805 -1.998 1.00 50.22 H new ATOM 0 HG LEU A 43 0.112 2.640 -2.684 1.00 12.14 H new ATOM 0 HD11 LEU A 43 1.735 1.457 -1.220 1.00 74.13 H new ATOM 0 HD12 LEU A 43 0.898 2.774 -0.365 1.00 74.13 H new ATOM 0 HD13 LEU A 43 0.418 1.084 -0.084 1.00 74.13 H new ATOM 0 HD21 LEU A 43 0.644 0.226 -3.001 1.00 45.14 H new ATOM 0 HD22 LEU A 43 -0.735 -0.197 -1.959 1.00 45.14 H new ATOM 0 HD23 LEU A 43 -1.014 0.617 -3.517 1.00 45.14 H new ATOM 691 N GLU A 44 -4.044 4.820 -2.188 1.00 23.41 N ATOM 692 CA GLU A 44 -5.415 5.216 -1.885 1.00 2.44 C ATOM 693 C GLU A 44 -6.307 4.057 -2.303 1.00 5.02 C ATOM 694 O GLU A 44 -5.968 3.341 -3.250 1.00 35.25 O ATOM 695 CB GLU A 44 -5.837 6.494 -2.631 1.00 5.52 C ATOM 696 CG GLU A 44 -4.808 7.626 -2.520 1.00 2.30 C ATOM 697 CD GLU A 44 -5.377 8.993 -2.897 1.00 11.33 C ATOM 698 OE1 GLU A 44 -5.329 9.387 -4.091 1.00 53.41 O ATOM 699 OE2 GLU A 44 -5.712 9.760 -1.976 1.00 52.31 O ATOM 0 H GLU A 44 -3.752 5.016 -3.145 1.00 23.41 H new ATOM 0 HA GLU A 44 -5.502 5.439 -0.822 1.00 2.44 H new ATOM 0 HB2 GLU A 44 -5.995 6.257 -3.683 1.00 5.52 H new ATOM 0 HB3 GLU A 44 -6.792 6.840 -2.235 1.00 5.52 H new ATOM 0 HG2 GLU A 44 -4.430 7.666 -1.499 1.00 2.30 H new ATOM 0 HG3 GLU A 44 -3.959 7.402 -3.166 1.00 2.30 H new ATOM 706 N PHE A 45 -7.450 3.893 -1.647 1.00 13.02 N ATOM 707 CA PHE A 45 -8.415 2.844 -1.922 1.00 70.33 C ATOM 708 C PHE A 45 -9.789 3.483 -1.764 1.00 51.32 C ATOM 709 O PHE A 45 -10.164 3.894 -0.664 1.00 20.42 O ATOM 710 CB PHE A 45 -8.237 1.671 -0.955 1.00 23.34 C ATOM 711 CG PHE A 45 -6.912 0.928 -1.003 1.00 32.01 C ATOM 712 CD1 PHE A 45 -5.753 1.494 -0.436 1.00 3.00 C ATOM 713 CD2 PHE A 45 -6.872 -0.401 -1.466 1.00 62.14 C ATOM 714 CE1 PHE A 45 -4.567 0.746 -0.351 1.00 43.04 C ATOM 715 CE2 PHE A 45 -5.695 -1.156 -1.336 1.00 44.25 C ATOM 716 CZ PHE A 45 -4.533 -0.585 -0.795 1.00 42.42 C ATOM 0 H PHE A 45 -7.736 4.508 -0.885 1.00 13.02 H new ATOM 0 HA PHE A 45 -8.284 2.437 -2.925 1.00 70.33 H new ATOM 0 HB2 PHE A 45 -8.379 2.044 0.059 1.00 23.34 H new ATOM 0 HB3 PHE A 45 -9.035 0.953 -1.144 1.00 23.34 H new ATOM 0 HD1 PHE A 45 -5.777 2.508 -0.065 1.00 3.00 H new ATOM 0 HD2 PHE A 45 -7.747 -0.840 -1.922 1.00 62.14 H new ATOM 0 HE1 PHE A 45 -3.676 1.198 0.059 1.00 43.04 H new ATOM 0 HE2 PHE A 45 -5.684 -2.187 -1.656 1.00 44.25 H new ATOM 0 HZ PHE A 45 -3.624 -1.163 -0.721 1.00 42.42 H new ATOM 726 N ASP A 46 -10.515 3.624 -2.870 1.00 32.43 N ATOM 727 CA ASP A 46 -11.840 4.230 -2.899 1.00 13.33 C ATOM 728 C ASP A 46 -12.923 3.208 -2.549 1.00 24.14 C ATOM 729 O ASP A 46 -13.013 2.157 -3.183 1.00 64.31 O ATOM 730 CB ASP A 46 -12.038 4.933 -4.240 1.00 54.42 C ATOM 731 CG ASP A 46 -13.236 5.857 -4.140 1.00 14.43 C ATOM 732 OD1 ASP A 46 -13.126 6.901 -3.465 1.00 65.23 O ATOM 733 OD2 ASP A 46 -14.326 5.473 -4.616 1.00 3.31 O ATOM 0 H ASP A 46 -10.192 3.314 -3.787 1.00 32.43 H new ATOM 0 HA ASP A 46 -11.928 4.995 -2.127 1.00 13.33 H new ATOM 0 HB2 ASP A 46 -11.145 5.501 -4.503 1.00 54.42 H new ATOM 0 HB3 ASP A 46 -12.193 4.199 -5.031 1.00 54.42 H new ATOM 738 N ALA A 47 -13.718 3.475 -1.506 1.00 63.03 N ATOM 739 CA ALA A 47 -14.789 2.601 -1.038 1.00 14.32 C ATOM 740 C ALA A 47 -15.888 2.436 -2.083 1.00 14.44 C ATOM 741 O ALA A 47 -16.424 1.340 -2.217 1.00 30.33 O ATOM 742 CB ALA A 47 -15.381 3.108 0.280 1.00 54.03 C ATOM 0 H ALA A 47 -13.628 4.328 -0.953 1.00 63.03 H new ATOM 0 HA ALA A 47 -14.344 1.621 -0.865 1.00 14.32 H new ATOM 0 HB1 ALA A 47 -16.176 2.437 0.604 1.00 54.03 H new ATOM 0 HB2 ALA A 47 -14.601 3.140 1.041 1.00 54.03 H new ATOM 0 HB3 ALA A 47 -15.788 4.109 0.135 1.00 54.03 H new ATOM 748 N ASP A 48 -16.254 3.498 -2.807 1.00 53.20 N ATOM 749 CA ASP A 48 -17.283 3.412 -3.845 1.00 12.51 C ATOM 750 C ASP A 48 -16.812 2.445 -4.933 1.00 72.04 C ATOM 751 O ASP A 48 -17.641 1.736 -5.513 1.00 63.23 O ATOM 752 CB ASP A 48 -17.630 4.799 -4.405 1.00 51.24 C ATOM 753 CG ASP A 48 -18.566 4.761 -5.613 1.00 54.43 C ATOM 754 OD1 ASP A 48 -18.114 4.497 -6.747 1.00 72.31 O ATOM 755 OD2 ASP A 48 -19.761 5.113 -5.480 1.00 32.32 O ATOM 0 H ASP A 48 -15.852 4.428 -2.692 1.00 53.20 H new ATOM 0 HA ASP A 48 -18.206 3.024 -3.414 1.00 12.51 H new ATOM 0 HB2 ASP A 48 -18.093 5.393 -3.617 1.00 51.24 H new ATOM 0 HB3 ASP A 48 -16.708 5.307 -4.687 1.00 51.24 H new ATOM 760 N LYS A 49 -15.488 2.319 -5.139 1.00 42.02 N ATOM 761 CA LYS A 49 -14.934 1.416 -6.139 1.00 13.21 C ATOM 762 C LYS A 49 -15.291 -0.047 -5.856 1.00 54.14 C ATOM 763 O LYS A 49 -15.209 -0.844 -6.794 1.00 31.32 O ATOM 764 CB LYS A 49 -13.414 1.622 -6.207 1.00 51.13 C ATOM 765 CG LYS A 49 -12.836 1.217 -7.558 1.00 14.54 C ATOM 766 CD LYS A 49 -11.339 1.522 -7.655 1.00 12.13 C ATOM 767 CE LYS A 49 -10.836 1.045 -9.019 1.00 51.41 C ATOM 768 NZ LYS A 49 -9.443 1.453 -9.265 1.00 54.45 N ATOM 0 H LYS A 49 -14.785 2.841 -4.616 1.00 42.02 H new ATOM 0 HA LYS A 49 -15.375 1.651 -7.108 1.00 13.21 H new ATOM 0 HB2 LYS A 49 -13.182 2.670 -6.014 1.00 51.13 H new ATOM 0 HB3 LYS A 49 -12.935 1.040 -5.420 1.00 51.13 H new ATOM 0 HG2 LYS A 49 -13.000 0.151 -7.718 1.00 14.54 H new ATOM 0 HG3 LYS A 49 -13.366 1.744 -8.352 1.00 14.54 H new ATOM 0 HD2 LYS A 49 -11.161 2.591 -7.538 1.00 12.13 H new ATOM 0 HD3 LYS A 49 -10.797 1.019 -6.854 1.00 12.13 H new ATOM 0 HE2 LYS A 49 -10.911 -0.041 -9.074 1.00 51.41 H new ATOM 0 HE3 LYS A 49 -11.476 1.449 -9.803 1.00 51.41 H new ATOM 0 HZ1 LYS A 49 -9.295 1.586 -10.286 1.00 54.45 H new ATOM 0 HZ2 LYS A 49 -9.250 2.346 -8.768 1.00 54.45 H new ATOM 0 HZ3 LYS A 49 -8.798 0.716 -8.915 1.00 54.45 H new ATOM 782 N ASP A 50 -15.593 -0.425 -4.610 1.00 3.24 N ATOM 783 CA ASP A 50 -15.988 -1.773 -4.198 1.00 43.12 C ATOM 784 C ASP A 50 -16.620 -1.672 -2.813 1.00 55.11 C ATOM 785 O ASP A 50 -15.933 -1.767 -1.789 1.00 40.11 O ATOM 786 CB ASP A 50 -14.853 -2.805 -4.194 1.00 13.44 C ATOM 787 CG ASP A 50 -15.393 -4.231 -4.014 1.00 3.11 C ATOM 788 OD1 ASP A 50 -16.518 -4.427 -3.497 1.00 53.42 O ATOM 789 OD2 ASP A 50 -14.640 -5.177 -4.348 1.00 4.40 O ATOM 0 H ASP A 50 -15.567 0.230 -3.828 1.00 3.24 H new ATOM 0 HA ASP A 50 -16.692 -2.145 -4.942 1.00 43.12 H new ATOM 0 HB2 ASP A 50 -14.297 -2.740 -5.129 1.00 13.44 H new ATOM 0 HB3 ASP A 50 -14.153 -2.575 -3.391 1.00 13.44 H new ATOM 794 N ARG A 51 -17.940 -1.480 -2.790 1.00 32.30 N ATOM 795 CA ARG A 51 -18.758 -1.339 -1.584 1.00 53.23 C ATOM 796 C ARG A 51 -18.661 -2.486 -0.607 1.00 32.15 C ATOM 797 O ARG A 51 -19.085 -2.295 0.529 1.00 23.33 O ATOM 798 CB ARG A 51 -20.244 -1.149 -1.970 1.00 45.22 C ATOM 799 CG ARG A 51 -20.796 0.221 -1.558 1.00 21.01 C ATOM 800 CD ARG A 51 -21.167 0.325 -0.073 1.00 30.05 C ATOM 801 NE ARG A 51 -22.469 -0.290 0.230 1.00 23.35 N ATOM 802 CZ ARG A 51 -23.657 0.330 0.199 1.00 74.41 C ATOM 803 NH1 ARG A 51 -23.786 1.560 -0.290 1.00 31.41 N ATOM 804 NH2 ARG A 51 -24.730 -0.305 0.658 1.00 42.52 N ATOM 0 H ARG A 51 -18.491 -1.416 -3.646 1.00 32.30 H new ATOM 0 HA ARG A 51 -18.355 -0.463 -1.075 1.00 53.23 H new ATOM 0 HB2 ARG A 51 -20.353 -1.270 -3.048 1.00 45.22 H new ATOM 0 HB3 ARG A 51 -20.839 -1.932 -1.500 1.00 45.22 H new ATOM 0 HG2 ARG A 51 -20.054 0.985 -1.791 1.00 21.01 H new ATOM 0 HG3 ARG A 51 -21.679 0.441 -2.158 1.00 21.01 H new ATOM 0 HD2 ARG A 51 -20.394 -0.157 0.525 1.00 30.05 H new ATOM 0 HD3 ARG A 51 -21.188 1.375 0.220 1.00 30.05 H new ATOM 0 HE ARG A 51 -22.467 -1.277 0.487 1.00 23.35 H new ATOM 0 HH11 ARG A 51 -22.970 2.053 -0.653 1.00 31.41 H new ATOM 0 HH12 ARG A 51 -24.701 2.010 -0.303 1.00 31.41 H new ATOM 0 HH21 ARG A 51 -24.643 -1.252 1.028 1.00 42.52 H new ATOM 0 HH22 ARG A 51 -25.641 0.154 0.641 1.00 42.52 H new ATOM 818 N THR A 52 -18.152 -3.647 -0.995 1.00 14.12 N ATOM 819 CA THR A 52 -18.067 -4.767 -0.077 1.00 43.54 C ATOM 820 C THR A 52 -16.637 -5.283 0.082 1.00 31.12 C ATOM 821 O THR A 52 -16.320 -5.899 1.103 1.00 52.32 O ATOM 822 CB THR A 52 -19.075 -5.840 -0.525 1.00 15.10 C ATOM 823 OG1 THR A 52 -20.239 -5.279 -1.116 1.00 1.14 O ATOM 824 CG2 THR A 52 -19.540 -6.645 0.683 1.00 51.54 C ATOM 0 H THR A 52 -17.795 -3.834 -1.932 1.00 14.12 H new ATOM 0 HA THR A 52 -18.339 -4.445 0.928 1.00 43.54 H new ATOM 0 HB THR A 52 -18.559 -6.460 -1.259 1.00 15.10 H new ATOM 0 HG1 THR A 52 -20.848 -5.998 -1.386 1.00 1.14 H new ATOM 0 HG21 THR A 52 -20.254 -7.404 0.362 1.00 51.54 H new ATOM 0 HG22 THR A 52 -18.682 -7.128 1.150 1.00 51.54 H new ATOM 0 HG23 THR A 52 -20.017 -5.979 1.402 1.00 51.54 H new ATOM 832 N GLY A 53 -15.747 -4.974 -0.858 1.00 55.32 N ATOM 833 CA GLY A 53 -14.367 -5.414 -0.837 1.00 40.42 C ATOM 834 C GLY A 53 -13.384 -4.408 -0.263 1.00 41.03 C ATOM 835 O GLY A 53 -12.276 -4.826 0.059 1.00 44.05 O ATOM 0 H GLY A 53 -15.976 -4.399 -1.669 1.00 55.32 H new ATOM 0 HA2 GLY A 53 -14.303 -6.334 -0.257 1.00 40.42 H new ATOM 0 HA3 GLY A 53 -14.063 -5.657 -1.855 1.00 40.42 H new ATOM 839 N ILE A 54 -13.742 -3.128 -0.094 1.00 43.53 N ATOM 840 CA ILE A 54 -12.825 -2.118 0.449 1.00 73.43 C ATOM 841 C ILE A 54 -12.164 -2.597 1.754 1.00 21.01 C ATOM 842 O ILE A 54 -10.948 -2.472 1.909 1.00 44.12 O ATOM 843 CB ILE A 54 -13.526 -0.744 0.583 1.00 43.43 C ATOM 844 CG1 ILE A 54 -12.551 0.341 1.100 1.00 63.11 C ATOM 845 CG2 ILE A 54 -14.783 -0.765 1.464 1.00 22.53 C ATOM 846 CD1 ILE A 54 -11.538 0.788 0.047 1.00 52.04 C ATOM 0 H ILE A 54 -14.667 -2.766 -0.327 1.00 43.53 H new ATOM 0 HA ILE A 54 -12.010 -1.978 -0.261 1.00 73.43 H new ATOM 0 HB ILE A 54 -13.851 -0.498 -0.428 1.00 43.43 H new ATOM 0 HG12 ILE A 54 -13.124 1.206 1.435 1.00 63.11 H new ATOM 0 HG13 ILE A 54 -12.017 -0.043 1.969 1.00 63.11 H new ATOM 0 HG21 ILE A 54 -15.214 0.235 1.507 1.00 22.53 H new ATOM 0 HG22 ILE A 54 -15.512 -1.457 1.042 1.00 22.53 H new ATOM 0 HG23 ILE A 54 -14.517 -1.088 2.470 1.00 22.53 H new ATOM 0 HD11 ILE A 54 -10.884 1.549 0.472 1.00 52.04 H new ATOM 0 HD12 ILE A 54 -10.941 -0.067 -0.270 1.00 52.04 H new ATOM 0 HD13 ILE A 54 -12.065 1.201 -0.813 1.00 52.04 H new ATOM 858 N GLN A 55 -12.944 -3.186 2.661 1.00 44.42 N ATOM 859 CA GLN A 55 -12.466 -3.694 3.935 1.00 22.24 C ATOM 860 C GLN A 55 -11.440 -4.818 3.715 1.00 61.35 C ATOM 861 O GLN A 55 -10.300 -4.688 4.152 1.00 72.04 O ATOM 862 CB GLN A 55 -13.692 -4.071 4.778 1.00 35.55 C ATOM 863 CG GLN A 55 -13.370 -4.586 6.181 1.00 35.30 C ATOM 864 CD GLN A 55 -13.072 -6.079 6.151 1.00 14.35 C ATOM 865 OE1 GLN A 55 -13.983 -6.891 5.996 1.00 32.14 O ATOM 866 NE2 GLN A 55 -11.807 -6.429 6.234 1.00 64.12 N ATOM 0 H GLN A 55 -13.945 -3.323 2.522 1.00 44.42 H new ATOM 0 HA GLN A 55 -11.914 -2.943 4.500 1.00 22.24 H new ATOM 0 HB2 GLN A 55 -14.338 -3.197 4.866 1.00 35.55 H new ATOM 0 HB3 GLN A 55 -14.260 -4.835 4.247 1.00 35.55 H new ATOM 0 HG2 GLN A 55 -12.512 -4.047 6.584 1.00 35.30 H new ATOM 0 HG3 GLN A 55 -14.210 -4.391 6.847 1.00 35.30 H new ATOM 0 HE21 GLN A 55 -11.088 -5.717 6.363 1.00 64.12 H new ATOM 0 HE22 GLN A 55 -11.545 -7.413 6.170 1.00 64.12 H new ATOM 875 N ARG A 56 -11.782 -5.912 3.021 1.00 74.31 N ATOM 876 CA ARG A 56 -10.834 -7.011 2.770 1.00 41.12 C ATOM 877 C ARG A 56 -9.607 -6.514 2.009 1.00 52.11 C ATOM 878 O ARG A 56 -8.518 -7.051 2.190 1.00 51.31 O ATOM 879 CB ARG A 56 -11.519 -8.166 2.029 1.00 74.24 C ATOM 880 CG ARG A 56 -12.357 -9.016 2.997 1.00 61.42 C ATOM 881 CD ARG A 56 -11.559 -10.150 3.648 1.00 62.14 C ATOM 882 NE ARG A 56 -11.499 -11.345 2.782 1.00 35.51 N ATOM 883 CZ ARG A 56 -11.144 -12.573 3.193 1.00 52.03 C ATOM 884 NH1 ARG A 56 -10.596 -12.775 4.383 1.00 42.33 N ATOM 885 NH2 ARG A 56 -11.353 -13.622 2.405 1.00 0.42 N ATOM 0 H ARG A 56 -12.709 -6.061 2.622 1.00 74.31 H new ATOM 0 HA ARG A 56 -10.493 -7.389 3.734 1.00 41.12 H new ATOM 0 HB2 ARG A 56 -12.158 -7.769 1.240 1.00 74.24 H new ATOM 0 HB3 ARG A 56 -10.767 -8.791 1.547 1.00 74.24 H new ATOM 0 HG2 ARG A 56 -12.764 -8.372 3.777 1.00 61.42 H new ATOM 0 HG3 ARG A 56 -13.205 -9.439 2.458 1.00 61.42 H new ATOM 0 HD2 ARG A 56 -10.547 -9.806 3.863 1.00 62.14 H new ATOM 0 HD3 ARG A 56 -12.015 -10.415 4.602 1.00 62.14 H new ATOM 0 HE ARG A 56 -11.745 -11.229 1.799 1.00 35.51 H new ATOM 0 HH11 ARG A 56 -10.435 -11.987 5.011 1.00 42.33 H new ATOM 0 HH12 ARG A 56 -10.335 -13.718 4.671 1.00 42.33 H new ATOM 0 HH21 ARG A 56 -11.783 -13.494 1.489 1.00 0.42 H new ATOM 0 HH22 ARG A 56 -11.084 -14.555 2.716 1.00 0.42 H new ATOM 899 N ARG A 57 -9.744 -5.499 1.153 1.00 30.14 N ATOM 900 CA ARG A 57 -8.601 -4.951 0.432 1.00 63.11 C ATOM 901 C ARG A 57 -7.629 -4.382 1.472 1.00 54.23 C ATOM 902 O ARG A 57 -6.425 -4.601 1.330 1.00 1.12 O ATOM 903 CB ARG A 57 -9.057 -3.917 -0.605 1.00 35.23 C ATOM 904 CG ARG A 57 -9.619 -4.586 -1.866 1.00 61.03 C ATOM 905 CD ARG A 57 -10.106 -3.521 -2.855 1.00 3.23 C ATOM 906 NE ARG A 57 -10.228 -4.078 -4.209 1.00 41.10 N ATOM 907 CZ ARG A 57 -10.895 -3.529 -5.230 1.00 14.42 C ATOM 908 NH1 ARG A 57 -11.547 -2.374 -5.103 1.00 33.13 N ATOM 909 NH2 ARG A 57 -10.922 -4.131 -6.413 1.00 64.24 N ATOM 0 H ARG A 57 -10.633 -5.044 0.945 1.00 30.14 H new ATOM 0 HA ARG A 57 -8.086 -5.722 -0.140 1.00 63.11 H new ATOM 0 HB2 ARG A 57 -9.818 -3.272 -0.165 1.00 35.23 H new ATOM 0 HB3 ARG A 57 -8.216 -3.279 -0.876 1.00 35.23 H new ATOM 0 HG2 ARG A 57 -8.851 -5.203 -2.333 1.00 61.03 H new ATOM 0 HG3 ARG A 57 -10.442 -5.249 -1.599 1.00 61.03 H new ATOM 0 HD2 ARG A 57 -11.071 -3.131 -2.530 1.00 3.23 H new ATOM 0 HD3 ARG A 57 -9.410 -2.682 -2.864 1.00 3.23 H new ATOM 0 HE ARG A 57 -9.760 -4.967 -4.387 1.00 41.10 H new ATOM 0 HH11 ARG A 57 -11.546 -1.884 -4.209 1.00 33.13 H new ATOM 0 HH12 ARG A 57 -12.047 -1.980 -5.900 1.00 33.13 H new ATOM 0 HH21 ARG A 57 -10.433 -5.016 -6.546 1.00 64.24 H new ATOM 0 HH22 ARG A 57 -11.432 -3.708 -7.189 1.00 64.24 H new ATOM 923 N MET A 58 -8.130 -3.703 2.515 1.00 51.11 N ATOM 924 CA MET A 58 -7.287 -3.161 3.575 1.00 33.45 C ATOM 925 C MET A 58 -6.653 -4.332 4.325 1.00 31.43 C ATOM 926 O MET A 58 -5.455 -4.287 4.569 1.00 10.45 O ATOM 927 CB MET A 58 -8.064 -2.283 4.585 1.00 44.41 C ATOM 928 CG MET A 58 -8.241 -0.837 4.133 1.00 4.31 C ATOM 929 SD MET A 58 -8.991 0.258 5.359 1.00 54.12 S ATOM 930 CE MET A 58 -10.463 0.720 4.420 1.00 52.52 C ATOM 0 H MET A 58 -9.125 -3.519 2.641 1.00 51.11 H new ATOM 0 HA MET A 58 -6.540 -2.520 3.107 1.00 33.45 H new ATOM 0 HB2 MET A 58 -9.046 -2.724 4.755 1.00 44.41 H new ATOM 0 HB3 MET A 58 -7.540 -2.294 5.541 1.00 44.41 H new ATOM 0 HG2 MET A 58 -7.266 -0.436 3.858 1.00 4.31 H new ATOM 0 HG3 MET A 58 -8.856 -0.826 3.233 1.00 4.31 H new ATOM 0 HE1 MET A 58 -11.139 1.288 5.059 1.00 52.52 H new ATOM 0 HE2 MET A 58 -10.173 1.331 3.565 1.00 52.52 H new ATOM 0 HE3 MET A 58 -10.967 -0.180 4.068 1.00 52.52 H new ATOM 940 N ASP A 59 -7.400 -5.403 4.631 1.00 54.03 N ATOM 941 CA ASP A 59 -6.879 -6.579 5.348 1.00 53.24 C ATOM 942 C ASP A 59 -5.647 -7.133 4.636 1.00 23.03 C ATOM 943 O ASP A 59 -4.618 -7.390 5.262 1.00 25.33 O ATOM 944 CB ASP A 59 -7.879 -7.740 5.426 1.00 34.41 C ATOM 945 CG ASP A 59 -9.029 -7.554 6.402 1.00 52.22 C ATOM 946 OD1 ASP A 59 -9.123 -6.478 7.043 1.00 4.43 O ATOM 947 OD2 ASP A 59 -9.902 -8.448 6.427 1.00 23.44 O ATOM 0 H ASP A 59 -8.388 -5.479 4.387 1.00 54.03 H new ATOM 0 HA ASP A 59 -6.658 -6.221 6.354 1.00 53.24 H new ATOM 0 HB2 ASP A 59 -8.294 -7.906 4.432 1.00 34.41 H new ATOM 0 HB3 ASP A 59 -7.337 -8.645 5.700 1.00 34.41 H new ATOM 952 N ILE A 60 -5.770 -7.336 3.319 1.00 10.53 N ATOM 953 CA ILE A 60 -4.727 -7.858 2.447 1.00 24.33 C ATOM 954 C ILE A 60 -3.527 -6.911 2.464 1.00 44.11 C ATOM 955 O ILE A 60 -2.390 -7.383 2.550 1.00 32.41 O ATOM 956 CB ILE A 60 -5.305 -8.103 1.029 1.00 10.33 C ATOM 957 CG1 ILE A 60 -6.365 -9.232 1.033 1.00 3.44 C ATOM 958 CG2 ILE A 60 -4.202 -8.468 0.018 1.00 34.41 C ATOM 959 CD1 ILE A 60 -7.288 -9.209 -0.193 1.00 65.35 C ATOM 0 H ILE A 60 -6.635 -7.131 2.818 1.00 10.53 H new ATOM 0 HA ILE A 60 -4.369 -8.823 2.805 1.00 24.33 H new ATOM 0 HB ILE A 60 -5.774 -7.166 0.727 1.00 10.33 H new ATOM 0 HG12 ILE A 60 -5.858 -10.196 1.078 1.00 3.44 H new ATOM 0 HG13 ILE A 60 -6.970 -9.148 1.935 1.00 3.44 H new ATOM 0 HG21 ILE A 60 -4.648 -8.632 -0.963 1.00 34.41 H new ATOM 0 HG22 ILE A 60 -3.480 -7.654 -0.043 1.00 34.41 H new ATOM 0 HG23 ILE A 60 -3.697 -9.377 0.343 1.00 34.41 H new ATOM 0 HD11 ILE A 60 -8.005 -10.027 -0.124 1.00 65.35 H new ATOM 0 HD12 ILE A 60 -7.823 -8.260 -0.228 1.00 65.35 H new ATOM 0 HD13 ILE A 60 -6.693 -9.324 -1.099 1.00 65.35 H new ATOM 971 N ALA A 61 -3.753 -5.598 2.366 1.00 24.13 N ATOM 972 CA ALA A 61 -2.672 -4.624 2.387 1.00 34.44 C ATOM 973 C ALA A 61 -1.972 -4.647 3.752 1.00 14.01 C ATOM 974 O ALA A 61 -0.745 -4.622 3.808 1.00 71.45 O ATOM 975 CB ALA A 61 -3.219 -3.227 2.066 1.00 64.42 C ATOM 0 H ALA A 61 -4.683 -5.189 2.271 1.00 24.13 H new ATOM 0 HA ALA A 61 -1.937 -4.883 1.625 1.00 34.44 H new ATOM 0 HB1 ALA A 61 -2.403 -2.504 2.084 1.00 64.42 H new ATOM 0 HB2 ALA A 61 -3.676 -3.234 1.077 1.00 64.42 H new ATOM 0 HB3 ALA A 61 -3.966 -2.949 2.809 1.00 64.42 H new ATOM 981 N LEU A 62 -2.732 -4.736 4.848 1.00 23.11 N ATOM 982 CA LEU A 62 -2.205 -4.754 6.214 1.00 63.34 C ATOM 983 C LEU A 62 -1.412 -6.023 6.487 1.00 15.23 C ATOM 984 O LEU A 62 -0.464 -6.007 7.275 1.00 24.33 O ATOM 985 CB LEU A 62 -3.343 -4.608 7.228 1.00 54.13 C ATOM 986 CG LEU A 62 -3.881 -3.166 7.308 1.00 32.34 C ATOM 987 CD1 LEU A 62 -5.279 -3.163 7.933 1.00 51.02 C ATOM 988 CD2 LEU A 62 -2.945 -2.257 8.118 1.00 64.22 C ATOM 0 H LEU A 62 -3.749 -4.799 4.809 1.00 23.11 H new ATOM 0 HA LEU A 62 -1.527 -3.907 6.320 1.00 63.34 H new ATOM 0 HB2 LEU A 62 -4.156 -5.281 6.956 1.00 54.13 H new ATOM 0 HB3 LEU A 62 -2.990 -4.916 8.212 1.00 54.13 H new ATOM 0 HG LEU A 62 -3.933 -2.773 6.293 1.00 32.34 H new ATOM 0 HD11 LEU A 62 -5.652 -2.140 7.986 1.00 51.02 H new ATOM 0 HD12 LEU A 62 -5.952 -3.763 7.321 1.00 51.02 H new ATOM 0 HD13 LEU A 62 -5.229 -3.583 8.937 1.00 51.02 H new ATOM 0 HD21 LEU A 62 -3.357 -1.249 8.152 1.00 64.22 H new ATOM 0 HD22 LEU A 62 -2.849 -2.645 9.132 1.00 64.22 H new ATOM 0 HD23 LEU A 62 -1.963 -2.232 7.645 1.00 64.22 H new ATOM 1000 N LEU A 63 -1.763 -7.131 5.832 1.00 11.13 N ATOM 1001 CA LEU A 63 -1.046 -8.387 5.997 1.00 42.02 C ATOM 1002 C LEU A 63 0.386 -8.244 5.467 1.00 52.20 C ATOM 1003 O LEU A 63 1.226 -9.076 5.801 1.00 61.00 O ATOM 1004 CB LEU A 63 -1.792 -9.540 5.300 1.00 52.24 C ATOM 1005 CG LEU A 63 -2.896 -10.158 6.179 1.00 22.12 C ATOM 1006 CD1 LEU A 63 -3.874 -10.956 5.309 1.00 35.02 C ATOM 1007 CD2 LEU A 63 -2.313 -11.083 7.257 1.00 3.14 C ATOM 0 H LEU A 63 -2.545 -7.179 5.179 1.00 11.13 H new ATOM 0 HA LEU A 63 -0.996 -8.629 7.059 1.00 42.02 H new ATOM 0 HB2 LEU A 63 -2.235 -9.172 4.374 1.00 52.24 H new ATOM 0 HB3 LEU A 63 -1.077 -10.315 5.025 1.00 52.24 H new ATOM 0 HG LEU A 63 -3.417 -9.338 6.674 1.00 22.12 H new ATOM 0 HD11 LEU A 63 -4.651 -11.389 5.939 1.00 35.02 H new ATOM 0 HD12 LEU A 63 -4.330 -10.294 4.573 1.00 35.02 H new ATOM 0 HD13 LEU A 63 -3.337 -11.753 4.795 1.00 35.02 H new ATOM 0 HD21 LEU A 63 -3.123 -11.499 7.856 1.00 3.14 H new ATOM 0 HD22 LEU A 63 -1.760 -11.893 6.781 1.00 3.14 H new ATOM 0 HD23 LEU A 63 -1.641 -10.514 7.900 1.00 3.14 H new ATOM 1019 N GLN A 64 0.698 -7.176 4.717 1.00 21.32 N ATOM 1020 CA GLN A 64 2.034 -6.959 4.176 1.00 22.45 C ATOM 1021 C GLN A 64 2.939 -6.247 5.202 1.00 44.44 C ATOM 1022 O GLN A 64 4.083 -5.910 4.896 1.00 64.43 O ATOM 1023 CB GLN A 64 1.994 -6.190 2.841 1.00 33.33 C ATOM 1024 CG GLN A 64 0.974 -6.659 1.798 1.00 72.34 C ATOM 1025 CD GLN A 64 1.028 -8.156 1.529 1.00 61.35 C ATOM 1026 OE1 GLN A 64 2.019 -8.684 1.039 1.00 74.21 O ATOM 1027 NE2 GLN A 64 -0.066 -8.859 1.773 1.00 3.42 N ATOM 0 H GLN A 64 0.029 -6.445 4.473 1.00 21.32 H new ATOM 0 HA GLN A 64 2.464 -7.939 3.970 1.00 22.45 H new ATOM 0 HB2 GLN A 64 1.796 -5.141 3.060 1.00 33.33 H new ATOM 0 HB3 GLN A 64 2.986 -6.240 2.391 1.00 33.33 H new ATOM 0 HG2 GLN A 64 -0.028 -6.394 2.136 1.00 72.34 H new ATOM 0 HG3 GLN A 64 1.148 -6.123 0.865 1.00 72.34 H new ATOM 0 HE21 GLN A 64 -0.883 -8.405 2.181 1.00 3.42 H new ATOM 0 HE22 GLN A 64 -0.092 -9.855 1.553 1.00 3.42 H new ATOM 1036 N HIS A 65 2.458 -5.962 6.414 1.00 21.31 N ATOM 1037 CA HIS A 65 3.246 -5.318 7.448 1.00 71.11 C ATOM 1038 C HIS A 65 4.350 -6.277 7.884 1.00 63.34 C ATOM 1039 O HIS A 65 4.080 -7.317 8.494 1.00 53.33 O ATOM 1040 CB HIS A 65 2.335 -4.947 8.615 1.00 22.11 C ATOM 1041 CG HIS A 65 2.961 -4.033 9.619 1.00 64.23 C ATOM 1042 ND1 HIS A 65 4.181 -3.378 9.463 1.00 33.04 N ATOM 1043 CD2 HIS A 65 2.341 -3.588 10.745 1.00 22.43 C ATOM 1044 CE1 HIS A 65 4.284 -2.578 10.533 1.00 70.11 C ATOM 1045 NE2 HIS A 65 3.192 -2.671 11.305 1.00 53.30 N ATOM 0 H HIS A 65 1.503 -6.176 6.700 1.00 21.31 H new ATOM 0 HA HIS A 65 3.706 -4.403 7.075 1.00 71.11 H new ATOM 0 HB2 HIS A 65 1.435 -4.474 8.222 1.00 22.11 H new ATOM 0 HB3 HIS A 65 2.020 -5.861 9.119 1.00 22.11 H new ATOM 0 HD2 HIS A 65 1.376 -3.894 11.121 1.00 22.43 H new ATOM 0 HE1 HIS A 65 5.132 -1.944 10.745 1.00 70.11 H new ATOM 0 HE2 HIS A 65 3.023 -2.148 12.164 1.00 53.30 H new ATOM 1053 N GLY A 66 5.592 -5.926 7.576 1.00 73.51 N ATOM 1054 CA GLY A 66 6.780 -6.711 7.897 1.00 0.15 C ATOM 1055 C GLY A 66 7.269 -7.579 6.740 1.00 3.12 C ATOM 1056 O GLY A 66 8.128 -8.432 6.962 1.00 42.14 O ATOM 0 H GLY A 66 5.808 -5.061 7.081 1.00 73.51 H new ATOM 0 HA2 GLY A 66 7.581 -6.036 8.198 1.00 0.15 H new ATOM 0 HA3 GLY A 66 6.563 -7.350 8.753 1.00 0.15 H new ATOM 1060 N THR A 67 6.751 -7.412 5.521 1.00 32.41 N ATOM 1061 CA THR A 67 7.214 -8.215 4.398 1.00 54.14 C ATOM 1062 C THR A 67 8.645 -7.836 4.034 1.00 4.31 C ATOM 1063 O THR A 67 9.012 -6.657 4.098 1.00 32.44 O ATOM 1064 CB THR A 67 6.323 -7.986 3.163 1.00 62.41 C ATOM 1065 OG1 THR A 67 6.093 -6.607 2.941 1.00 0.41 O ATOM 1066 CG2 THR A 67 4.977 -8.691 3.293 1.00 1.22 C ATOM 0 H THR A 67 6.021 -6.737 5.293 1.00 32.41 H new ATOM 0 HA THR A 67 7.167 -9.263 4.696 1.00 54.14 H new ATOM 0 HB THR A 67 6.864 -8.407 2.316 1.00 62.41 H new ATOM 0 HG1 THR A 67 5.348 -6.305 3.502 1.00 0.41 H new ATOM 0 HG21 THR A 67 4.380 -8.503 2.400 1.00 1.22 H new ATOM 0 HG22 THR A 67 5.137 -9.764 3.403 1.00 1.22 H new ATOM 0 HG23 THR A 67 4.450 -8.311 4.168 1.00 1.22 H new ATOM 1074 N LEU A 68 9.471 -8.822 3.686 1.00 70.15 N ATOM 1075 CA LEU A 68 10.831 -8.562 3.247 1.00 63.44 C ATOM 1076 C LEU A 68 10.643 -8.340 1.757 1.00 13.03 C ATOM 1077 O LEU A 68 10.243 -9.253 1.027 1.00 32.12 O ATOM 1078 CB LEU A 68 11.793 -9.720 3.498 1.00 45.21 C ATOM 1079 CG LEU A 68 12.308 -9.823 4.939 1.00 24.45 C ATOM 1080 CD1 LEU A 68 13.255 -11.008 5.036 1.00 35.03 C ATOM 1081 CD2 LEU A 68 13.128 -8.602 5.363 1.00 64.32 C ATOM 0 H LEU A 68 9.216 -9.809 3.702 1.00 70.15 H new ATOM 0 HA LEU A 68 11.283 -7.730 3.788 1.00 63.44 H new ATOM 0 HB2 LEU A 68 11.293 -10.653 3.237 1.00 45.21 H new ATOM 0 HB3 LEU A 68 12.646 -9.618 2.828 1.00 45.21 H new ATOM 0 HG LEU A 68 11.430 -9.914 5.578 1.00 24.45 H new ATOM 0 HD11 LEU A 68 13.629 -11.093 6.056 1.00 35.03 H new ATOM 0 HD12 LEU A 68 12.724 -11.921 4.767 1.00 35.03 H new ATOM 0 HD13 LEU A 68 14.092 -10.861 4.354 1.00 35.03 H new ATOM 0 HD21 LEU A 68 13.466 -8.730 6.391 1.00 64.32 H new ATOM 0 HD22 LEU A 68 13.992 -8.498 4.707 1.00 64.32 H new ATOM 0 HD23 LEU A 68 12.510 -7.707 5.293 1.00 64.32 H new ATOM 1093 N LEU A 69 10.839 -7.098 1.347 1.00 34.41 N ATOM 1094 CA LEU A 69 10.703 -6.630 -0.014 1.00 64.51 C ATOM 1095 C LEU A 69 12.066 -6.174 -0.503 1.00 11.33 C ATOM 1096 O LEU A 69 12.659 -5.274 0.092 1.00 24.14 O ATOM 1097 CB LEU A 69 9.705 -5.459 -0.036 1.00 44.11 C ATOM 1098 CG LEU A 69 9.397 -4.989 -1.468 1.00 35.13 C ATOM 1099 CD1 LEU A 69 8.461 -5.983 -2.142 1.00 71.41 C ATOM 1100 CD2 LEU A 69 8.705 -3.629 -1.480 1.00 22.13 C ATOM 0 H LEU A 69 11.111 -6.355 1.990 1.00 34.41 H new ATOM 0 HA LEU A 69 10.334 -7.423 -0.664 1.00 64.51 H new ATOM 0 HB2 LEU A 69 8.779 -5.763 0.452 1.00 44.11 H new ATOM 0 HB3 LEU A 69 10.111 -4.627 0.539 1.00 44.11 H new ATOM 0 HG LEU A 69 10.349 -4.915 -1.995 1.00 35.13 H new ATOM 0 HD11 LEU A 69 8.244 -5.648 -3.156 1.00 71.41 H new ATOM 0 HD12 LEU A 69 8.936 -6.964 -2.177 1.00 71.41 H new ATOM 0 HD13 LEU A 69 7.532 -6.050 -1.576 1.00 71.41 H new ATOM 0 HD21 LEU A 69 8.504 -3.332 -2.509 1.00 22.13 H new ATOM 0 HD22 LEU A 69 7.765 -3.694 -0.931 1.00 22.13 H new ATOM 0 HD23 LEU A 69 9.350 -2.888 -1.008 1.00 22.13 H new ATOM 1112 N LYS A 70 12.558 -6.772 -1.585 1.00 71.22 N ATOM 1113 CA LYS A 70 13.841 -6.431 -2.195 1.00 52.32 C ATOM 1114 C LYS A 70 14.994 -6.392 -1.175 1.00 74.13 C ATOM 1115 O LYS A 70 15.804 -5.464 -1.184 1.00 12.01 O ATOM 1116 CB LYS A 70 13.676 -5.115 -2.960 1.00 14.54 C ATOM 1117 CG LYS A 70 12.591 -5.176 -4.041 1.00 22.35 C ATOM 1118 CD LYS A 70 12.232 -3.765 -4.499 1.00 74.54 C ATOM 1119 CE LYS A 70 12.842 -3.401 -5.847 1.00 41.03 C ATOM 1120 NZ LYS A 70 14.321 -3.429 -5.883 1.00 22.25 N ATOM 0 H LYS A 70 12.067 -7.522 -2.072 1.00 71.22 H new ATOM 0 HA LYS A 70 14.127 -7.216 -2.895 1.00 52.32 H new ATOM 0 HB2 LYS A 70 13.433 -4.320 -2.255 1.00 14.54 H new ATOM 0 HB3 LYS A 70 14.626 -4.850 -3.423 1.00 14.54 H new ATOM 0 HG2 LYS A 70 12.943 -5.764 -4.889 1.00 22.35 H new ATOM 0 HG3 LYS A 70 11.705 -5.677 -3.651 1.00 22.35 H new ATOM 0 HD2 LYS A 70 11.148 -3.675 -4.561 1.00 74.54 H new ATOM 0 HD3 LYS A 70 12.569 -3.049 -3.749 1.00 74.54 H new ATOM 0 HE2 LYS A 70 12.460 -4.089 -6.601 1.00 41.03 H new ATOM 0 HE3 LYS A 70 12.504 -2.403 -6.126 1.00 41.03 H new ATOM 0 HZ1 LYS A 70 14.673 -2.572 -6.356 1.00 22.25 H new ATOM 0 HZ2 LYS A 70 14.691 -3.466 -4.912 1.00 22.25 H new ATOM 0 HZ3 LYS A 70 14.640 -4.269 -6.407 1.00 22.25 H new ATOM 1134 N GLU A 71 15.056 -7.394 -0.291 1.00 54.21 N ATOM 1135 CA GLU A 71 16.063 -7.587 0.760 1.00 74.44 C ATOM 1136 C GLU A 71 15.971 -6.515 1.862 1.00 71.42 C ATOM 1137 O GLU A 71 16.950 -6.259 2.577 1.00 72.43 O ATOM 1138 CB GLU A 71 17.478 -7.687 0.140 1.00 64.32 C ATOM 1139 CG GLU A 71 17.603 -8.763 -0.954 1.00 42.13 C ATOM 1140 CD GLU A 71 18.900 -8.680 -1.766 1.00 71.53 C ATOM 1141 OE1 GLU A 71 19.482 -7.583 -1.908 1.00 51.31 O ATOM 1142 OE2 GLU A 71 19.287 -9.720 -2.350 1.00 12.22 O ATOM 0 H GLU A 71 14.360 -8.140 -0.290 1.00 54.21 H new ATOM 0 HA GLU A 71 15.854 -8.534 1.258 1.00 74.44 H new ATOM 0 HB2 GLU A 71 17.748 -6.719 -0.283 1.00 64.32 H new ATOM 0 HB3 GLU A 71 18.197 -7.901 0.931 1.00 64.32 H new ATOM 0 HG2 GLU A 71 17.540 -9.747 -0.490 1.00 42.13 H new ATOM 0 HG3 GLU A 71 16.755 -8.676 -1.633 1.00 42.13 H new ATOM 1149 N LYS A 72 14.800 -5.896 2.043 1.00 13.44 N ATOM 1150 CA LYS A 72 14.536 -4.840 3.021 1.00 31.11 C ATOM 1151 C LYS A 72 13.165 -5.032 3.647 1.00 40.20 C ATOM 1152 O LYS A 72 12.181 -5.215 2.941 1.00 55.21 O ATOM 1153 CB LYS A 72 14.630 -3.479 2.304 1.00 10.53 C ATOM 1154 CG LYS A 72 15.996 -2.804 2.519 1.00 5.41 C ATOM 1155 CD LYS A 72 16.083 -2.011 3.827 1.00 22.32 C ATOM 1156 CE LYS A 72 15.120 -0.823 3.793 1.00 51.35 C ATOM 1157 NZ LYS A 72 15.509 0.263 4.708 1.00 42.31 N ATOM 0 H LYS A 72 13.977 -6.128 1.488 1.00 13.44 H new ATOM 0 HA LYS A 72 15.272 -4.879 3.824 1.00 31.11 H new ATOM 0 HB2 LYS A 72 14.460 -3.620 1.237 1.00 10.53 H new ATOM 0 HB3 LYS A 72 13.840 -2.822 2.669 1.00 10.53 H new ATOM 0 HG2 LYS A 72 16.775 -3.566 2.512 1.00 5.41 H new ATOM 0 HG3 LYS A 72 16.198 -2.135 1.683 1.00 5.41 H new ATOM 0 HD2 LYS A 72 15.842 -2.659 4.670 1.00 22.32 H new ATOM 0 HD3 LYS A 72 17.103 -1.657 3.978 1.00 22.32 H new ATOM 0 HE2 LYS A 72 15.070 -0.433 2.776 1.00 51.35 H new ATOM 0 HE3 LYS A 72 14.119 -1.167 4.052 1.00 51.35 H new ATOM 0 HZ1 LYS A 72 14.819 1.038 4.640 1.00 42.31 H new ATOM 0 HZ2 LYS A 72 15.531 -0.096 5.684 1.00 42.31 H new ATOM 0 HZ3 LYS A 72 16.452 0.615 4.448 1.00 42.31 H new ATOM 1171 N LYS A 73 13.083 -5.071 4.978 1.00 51.12 N ATOM 1172 CA LYS A 73 11.797 -5.226 5.632 1.00 75.51 C ATOM 1173 C LYS A 73 11.095 -3.884 5.525 1.00 22.22 C ATOM 1174 O LYS A 73 11.746 -2.843 5.625 1.00 71.03 O ATOM 1175 CB LYS A 73 11.961 -5.680 7.093 1.00 0.10 C ATOM 1176 CG LYS A 73 10.694 -6.422 7.561 1.00 34.04 C ATOM 1177 CD LYS A 73 10.971 -7.598 8.510 1.00 72.45 C ATOM 1178 CE LYS A 73 11.256 -7.182 9.952 1.00 33.44 C ATOM 1179 NZ LYS A 73 12.560 -6.511 10.118 1.00 12.22 N ATOM 0 H LYS A 73 13.881 -4.998 5.609 1.00 51.12 H new ATOM 0 HA LYS A 73 11.203 -6.004 5.153 1.00 75.51 H new ATOM 0 HB2 LYS A 73 12.829 -6.333 7.184 1.00 0.10 H new ATOM 0 HB3 LYS A 73 12.143 -4.816 7.732 1.00 0.10 H new ATOM 0 HG2 LYS A 73 10.034 -5.713 8.061 1.00 34.04 H new ATOM 0 HG3 LYS A 73 10.159 -6.793 6.687 1.00 34.04 H new ATOM 0 HD2 LYS A 73 10.112 -8.269 8.500 1.00 72.45 H new ATOM 0 HD3 LYS A 73 11.822 -8.164 8.131 1.00 72.45 H new ATOM 0 HE2 LYS A 73 10.465 -6.514 10.293 1.00 33.44 H new ATOM 0 HE3 LYS A 73 11.225 -8.065 10.591 1.00 33.44 H new ATOM 0 HZ1 LYS A 73 12.810 -6.482 11.127 1.00 12.22 H new ATOM 0 HZ2 LYS A 73 13.290 -7.037 9.596 1.00 12.22 H new ATOM 0 HZ3 LYS A 73 12.501 -5.541 9.748 1.00 12.22 H new ATOM 1193 N ILE A 74 9.786 -3.919 5.340 1.00 13.03 N ATOM 1194 CA ILE A 74 8.946 -2.731 5.224 1.00 63.24 C ATOM 1195 C ILE A 74 7.774 -2.839 6.196 1.00 64.45 C ATOM 1196 O ILE A 74 7.460 -3.924 6.684 1.00 43.55 O ATOM 1197 CB ILE A 74 8.536 -2.477 3.758 1.00 40.13 C ATOM 1198 CG1 ILE A 74 7.634 -3.592 3.199 1.00 24.40 C ATOM 1199 CG2 ILE A 74 9.800 -2.278 2.895 1.00 54.32 C ATOM 1200 CD1 ILE A 74 7.111 -3.275 1.798 1.00 54.22 C ATOM 0 H ILE A 74 9.263 -4.791 5.264 1.00 13.03 H new ATOM 0 HA ILE A 74 9.510 -1.844 5.512 1.00 63.24 H new ATOM 0 HB ILE A 74 7.938 -1.566 3.725 1.00 40.13 H new ATOM 0 HG12 ILE A 74 8.193 -4.527 3.172 1.00 24.40 H new ATOM 0 HG13 ILE A 74 6.790 -3.744 3.872 1.00 24.40 H new ATOM 0 HG21 ILE A 74 9.509 -2.099 1.860 1.00 54.32 H new ATOM 0 HG22 ILE A 74 10.364 -1.422 3.267 1.00 54.32 H new ATOM 0 HG23 ILE A 74 10.421 -3.172 2.948 1.00 54.32 H new ATOM 0 HD11 ILE A 74 6.481 -4.094 1.451 1.00 54.22 H new ATOM 0 HD12 ILE A 74 6.527 -2.355 1.827 1.00 54.22 H new ATOM 0 HD13 ILE A 74 7.952 -3.150 1.115 1.00 54.22 H new ATOM 1212 N ASN A 75 7.124 -1.715 6.476 1.00 51.44 N ATOM 1213 CA ASN A 75 5.992 -1.598 7.395 1.00 43.34 C ATOM 1214 C ASN A 75 4.762 -1.071 6.700 1.00 75.32 C ATOM 1215 O ASN A 75 4.880 -0.393 5.684 1.00 54.22 O ATOM 1216 CB ASN A 75 6.323 -0.594 8.517 1.00 21.32 C ATOM 1217 CG ASN A 75 6.760 0.767 8.000 1.00 32.33 C ATOM 1218 OD1 ASN A 75 7.948 1.042 7.892 1.00 74.31 O ATOM 1219 ND2 ASN A 75 5.840 1.649 7.650 1.00 54.44 N ATOM 0 H ASN A 75 7.380 -0.823 6.053 1.00 51.44 H new ATOM 0 HA ASN A 75 5.804 -2.598 7.787 1.00 43.34 H new ATOM 0 HB2 ASN A 75 5.446 -0.469 9.152 1.00 21.32 H new ATOM 0 HB3 ASN A 75 7.114 -1.008 9.143 1.00 21.32 H new ATOM 0 HD21 ASN A 75 6.119 2.561 7.289 1.00 54.44 H new ATOM 0 HD22 ASN A 75 4.851 1.417 7.741 1.00 54.44 H new ATOM 1226 N VAL A 76 3.597 -1.327 7.297 1.00 40.43 N ATOM 1227 CA VAL A 76 2.305 -0.876 6.798 1.00 65.54 C ATOM 1228 C VAL A 76 1.497 -0.339 7.994 1.00 54.34 C ATOM 1229 O VAL A 76 1.684 -0.810 9.115 1.00 23.13 O ATOM 1230 CB VAL A 76 1.611 -2.054 6.082 1.00 14.02 C ATOM 1231 CG1 VAL A 76 0.233 -1.649 5.548 1.00 51.12 C ATOM 1232 CG2 VAL A 76 2.402 -2.600 4.888 1.00 53.13 C ATOM 0 H VAL A 76 3.528 -1.866 8.160 1.00 40.43 H new ATOM 0 HA VAL A 76 2.402 -0.071 6.070 1.00 65.54 H new ATOM 0 HB VAL A 76 1.534 -2.827 6.846 1.00 14.02 H new ATOM 0 HG11 VAL A 76 -0.229 -2.501 5.049 1.00 51.12 H new ATOM 0 HG12 VAL A 76 -0.398 -1.328 6.376 1.00 51.12 H new ATOM 0 HG13 VAL A 76 0.344 -0.830 4.838 1.00 51.12 H new ATOM 0 HG21 VAL A 76 1.853 -3.425 4.435 1.00 53.13 H new ATOM 0 HG22 VAL A 76 2.541 -1.809 4.151 1.00 53.13 H new ATOM 0 HG23 VAL A 76 3.375 -2.955 5.228 1.00 53.13 H new ATOM 1242 N GLU A 77 0.636 0.662 7.791 1.00 13.11 N ATOM 1243 CA GLU A 77 -0.232 1.268 8.806 1.00 61.11 C ATOM 1244 C GLU A 77 -1.360 2.035 8.098 1.00 14.23 C ATOM 1245 O GLU A 77 -1.268 2.315 6.900 1.00 71.53 O ATOM 1246 CB GLU A 77 0.534 2.094 9.864 1.00 1.15 C ATOM 1247 CG GLU A 77 1.736 2.941 9.410 1.00 14.12 C ATOM 1248 CD GLU A 77 2.813 3.074 10.496 1.00 34.55 C ATOM 1249 OE1 GLU A 77 2.520 3.447 11.655 1.00 21.54 O ATOM 1250 OE2 GLU A 77 3.990 2.716 10.244 1.00 74.30 O ATOM 0 H GLU A 77 0.519 1.092 6.873 1.00 13.11 H new ATOM 0 HA GLU A 77 -0.683 0.476 9.404 1.00 61.11 H new ATOM 0 HB2 GLU A 77 -0.181 2.764 10.342 1.00 1.15 H new ATOM 0 HB3 GLU A 77 0.886 1.404 10.631 1.00 1.15 H new ATOM 0 HG2 GLU A 77 2.177 2.491 8.521 1.00 14.12 H new ATOM 0 HG3 GLU A 77 1.388 3.934 9.126 1.00 14.12 H new ATOM 1257 N LEU A 78 -2.448 2.334 8.815 1.00 42.22 N ATOM 1258 CA LEU A 78 -3.616 3.034 8.295 1.00 14.13 C ATOM 1259 C LEU A 78 -3.477 4.551 8.341 1.00 61.04 C ATOM 1260 O LEU A 78 -2.803 5.102 9.212 1.00 14.41 O ATOM 1261 CB LEU A 78 -4.842 2.606 9.123 1.00 1.01 C ATOM 1262 CG LEU A 78 -6.018 2.051 8.311 1.00 63.20 C ATOM 1263 CD1 LEU A 78 -6.728 3.105 7.453 1.00 1.12 C ATOM 1264 CD2 LEU A 78 -5.608 0.856 7.443 1.00 63.34 C ATOM 0 H LEU A 78 -2.538 2.087 9.800 1.00 42.22 H new ATOM 0 HA LEU A 78 -3.726 2.764 7.245 1.00 14.13 H new ATOM 0 HB2 LEU A 78 -4.528 1.849 9.842 1.00 1.01 H new ATOM 0 HB3 LEU A 78 -5.191 3.465 9.696 1.00 1.01 H new ATOM 0 HG LEU A 78 -6.735 1.713 9.059 1.00 63.20 H new ATOM 0 HD11 LEU A 78 -7.548 2.638 6.908 1.00 1.12 H new ATOM 0 HD12 LEU A 78 -7.121 3.893 8.096 1.00 1.12 H new ATOM 0 HD13 LEU A 78 -6.020 3.535 6.745 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -6.473 0.497 6.886 1.00 63.34 H new ATOM 0 HD22 LEU A 78 -4.829 1.164 6.745 1.00 63.34 H new ATOM 0 HD23 LEU A 78 -5.229 0.057 8.080 1.00 63.34 H new ATOM 1276 N THR A 79 -4.169 5.218 7.418 1.00 41.42 N ATOM 1277 CA THR A 79 -4.203 6.663 7.276 1.00 62.12 C ATOM 1278 C THR A 79 -5.583 7.063 6.729 1.00 0.00 C ATOM 1279 O THR A 79 -6.014 6.540 5.702 1.00 31.54 O ATOM 1280 CB THR A 79 -3.056 7.132 6.354 1.00 34.02 C ATOM 1281 OG1 THR A 79 -2.774 6.219 5.315 1.00 14.34 O ATOM 1282 CG2 THR A 79 -1.742 7.297 7.110 1.00 62.23 C ATOM 0 H THR A 79 -4.743 4.741 6.723 1.00 41.42 H new ATOM 0 HA THR A 79 -4.055 7.149 8.240 1.00 62.12 H new ATOM 0 HB THR A 79 -3.415 8.080 5.953 1.00 34.02 H new ATOM 0 HG1 THR A 79 -2.043 6.567 4.763 1.00 14.34 H new ATOM 0 HG21 THR A 79 -0.965 7.628 6.421 1.00 62.23 H new ATOM 0 HG22 THR A 79 -1.867 8.038 7.899 1.00 62.23 H new ATOM 0 HG23 THR A 79 -1.454 6.343 7.551 1.00 62.23 H new