USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 584 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 Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 1.02 K(o=1,f=-5.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.08 F(o=-2.3!,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.2 (180deg=0.989) USER MOD Single : A 27 SER OG : rot 156:sc= -2.3! USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.38 (180deg=0.597) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0654) USER MOD Single : A 39 SER OG : rot 91:sc= 0.38 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.646 F(o=-3.1!,f=-0.65) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0354 (180deg=-0.311) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-0.9!) USER MOD Single : A 80 GLN : amide:sc= -0.98 X(o=-0.98,f=-1) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -9.123 -5.180 -9.353 1.00 54.21 N ATOM 35 CA VAL A 3 -8.747 -4.941 -7.958 1.00 41.41 C ATOM 36 C VAL A 3 -7.782 -5.997 -7.409 1.00 51.23 C ATOM 37 O VAL A 3 -6.891 -5.676 -6.626 1.00 2.53 O ATOM 38 CB VAL A 3 -9.995 -4.836 -7.049 1.00 53.42 C ATOM 39 CG1 VAL A 3 -10.728 -6.167 -6.944 1.00 45.33 C ATOM 40 CG2 VAL A 3 -9.619 -4.306 -5.671 1.00 63.22 C ATOM 0 HA VAL A 3 -8.220 -3.987 -7.950 1.00 41.41 H new ATOM 0 HB VAL A 3 -10.680 -4.125 -7.511 1.00 53.42 H new ATOM 0 HG11 VAL A 3 -11.598 -6.053 -6.298 1.00 45.33 H new ATOM 0 HG12 VAL A 3 -11.051 -6.483 -7.936 1.00 45.33 H new ATOM 0 HG13 VAL A 3 -10.060 -6.918 -6.523 1.00 45.33 H new ATOM 0 HG21 VAL A 3 -10.512 -4.241 -5.050 1.00 63.22 H new ATOM 0 HG22 VAL A 3 -8.901 -4.981 -5.205 1.00 63.22 H new ATOM 0 HG23 VAL A 3 -9.174 -3.316 -5.771 1.00 63.22 H new ATOM 50 N ASP A 4 -7.938 -7.244 -7.832 1.00 70.42 N ATOM 51 CA ASP A 4 -7.061 -8.311 -7.354 1.00 53.32 C ATOM 52 C ASP A 4 -5.635 -8.096 -7.848 1.00 43.15 C ATOM 53 O ASP A 4 -4.671 -8.360 -7.130 1.00 21.22 O ATOM 54 CB ASP A 4 -7.571 -9.685 -7.786 1.00 25.15 C ATOM 55 CG ASP A 4 -8.875 -10.055 -7.109 1.00 44.50 C ATOM 56 OD1 ASP A 4 -8.836 -10.548 -5.962 1.00 35.41 O ATOM 57 OD2 ASP A 4 -9.945 -9.856 -7.719 1.00 23.21 O ATOM 0 H ASP A 4 -8.653 -7.542 -8.496 1.00 70.42 H new ATOM 0 HA ASP A 4 -7.063 -8.278 -6.264 1.00 53.32 H new ATOM 0 HB2 ASP A 4 -7.710 -9.695 -8.867 1.00 25.15 H new ATOM 0 HB3 ASP A 4 -6.818 -10.438 -7.555 1.00 25.15 H new ATOM 62 N HIS A 5 -5.505 -7.600 -9.073 1.00 32.25 N ATOM 63 CA HIS A 5 -4.200 -7.250 -9.619 1.00 24.10 C ATOM 64 C HIS A 5 -3.619 -6.056 -8.882 1.00 24.23 C ATOM 65 O HIS A 5 -2.422 -6.022 -8.599 1.00 22.33 O ATOM 66 CB HIS A 5 -4.291 -6.936 -11.114 1.00 71.14 C ATOM 67 CG HIS A 5 -4.219 -8.143 -11.997 1.00 12.31 C ATOM 68 ND1 HIS A 5 -5.236 -8.524 -12.844 1.00 42.12 N ATOM 69 CD2 HIS A 5 -3.223 -9.041 -12.185 1.00 14.22 C ATOM 70 CE1 HIS A 5 -4.868 -9.602 -13.512 1.00 11.21 C ATOM 71 NE2 HIS A 5 -3.649 -9.936 -13.132 1.00 73.03 N ATOM 0 H HIS A 5 -6.287 -7.431 -9.706 1.00 32.25 H new ATOM 0 HA HIS A 5 -3.544 -8.110 -9.485 1.00 24.10 H new ATOM 0 HB2 HIS A 5 -5.227 -6.412 -11.308 1.00 71.14 H new ATOM 0 HB3 HIS A 5 -3.483 -6.255 -11.381 1.00 71.14 H new ATOM 0 HD2 HIS A 5 -2.268 -9.050 -11.681 1.00 14.22 H new ATOM 0 HE1 HIS A 5 -5.465 -10.123 -14.246 1.00 11.21 H new ATOM 0 HE2 HIS A 5 -3.113 -10.729 -13.485 1.00 73.03 H new ATOM 80 N GLU A 6 -4.476 -5.086 -8.567 1.00 24.32 N ATOM 81 CA GLU A 6 -4.054 -3.888 -7.844 1.00 23.54 C ATOM 82 C GLU A 6 -3.408 -4.274 -6.516 1.00 0.22 C ATOM 83 O GLU A 6 -2.383 -3.717 -6.128 1.00 4.11 O ATOM 84 CB GLU A 6 -5.247 -2.966 -7.562 1.00 5.13 C ATOM 85 CG GLU A 6 -6.207 -2.784 -8.731 1.00 60.21 C ATOM 86 CD GLU A 6 -5.598 -2.073 -9.922 1.00 10.15 C ATOM 87 OE1 GLU A 6 -5.030 -2.755 -10.801 1.00 35.24 O ATOM 88 OE2 GLU A 6 -5.725 -0.838 -10.007 1.00 1.42 O ATOM 0 H GLU A 6 -5.468 -5.107 -8.802 1.00 24.32 H new ATOM 0 HA GLU A 6 -3.334 -3.360 -8.470 1.00 23.54 H new ATOM 0 HB2 GLU A 6 -5.803 -3.364 -6.713 1.00 5.13 H new ATOM 0 HB3 GLU A 6 -4.869 -1.988 -7.265 1.00 5.13 H new ATOM 0 HG2 GLU A 6 -6.566 -3.763 -9.049 1.00 60.21 H new ATOM 0 HG3 GLU A 6 -7.076 -2.221 -8.390 1.00 60.21 H new ATOM 95 N VAL A 7 -4.015 -5.242 -5.831 1.00 63.25 N ATOM 96 CA VAL A 7 -3.528 -5.702 -4.531 1.00 70.50 C ATOM 97 C VAL A 7 -2.104 -6.249 -4.630 1.00 5.33 C ATOM 98 O VAL A 7 -1.242 -5.904 -3.821 1.00 52.04 O ATOM 99 CB VAL A 7 -4.448 -6.793 -3.934 1.00 72.45 C ATOM 100 CG1 VAL A 7 -3.910 -7.285 -2.595 1.00 42.24 C ATOM 101 CG2 VAL A 7 -5.865 -6.268 -3.765 1.00 70.14 C ATOM 0 H VAL A 7 -4.851 -5.726 -6.158 1.00 63.25 H new ATOM 0 HA VAL A 7 -3.532 -4.834 -3.872 1.00 70.50 H new ATOM 0 HB VAL A 7 -4.466 -7.632 -4.630 1.00 72.45 H new ATOM 0 HG11 VAL A 7 -4.574 -8.051 -2.196 1.00 42.24 H new ATOM 0 HG12 VAL A 7 -2.914 -7.705 -2.735 1.00 42.24 H new ATOM 0 HG13 VAL A 7 -3.857 -6.451 -1.896 1.00 42.24 H new ATOM 0 HG21 VAL A 7 -6.495 -7.051 -3.344 1.00 70.14 H new ATOM 0 HG22 VAL A 7 -5.857 -5.409 -3.094 1.00 70.14 H new ATOM 0 HG23 VAL A 7 -6.260 -5.967 -4.735 1.00 70.14 H new ATOM 111 N ASN A 8 -1.857 -7.098 -5.622 1.00 24.40 N ATOM 112 CA ASN A 8 -0.531 -7.684 -5.798 1.00 54.04 C ATOM 113 C ASN A 8 0.448 -6.626 -6.275 1.00 5.40 C ATOM 114 O ASN A 8 1.603 -6.607 -5.869 1.00 73.03 O ATOM 115 CB ASN A 8 -0.568 -8.834 -6.804 1.00 40.03 C ATOM 116 CG ASN A 8 0.640 -9.745 -6.687 1.00 62.45 C ATOM 117 OD1 ASN A 8 0.609 -10.738 -5.960 1.00 40.11 O ATOM 118 ND2 ASN A 8 1.714 -9.414 -7.388 1.00 51.34 N ATOM 0 H ASN A 8 -2.549 -7.394 -6.310 1.00 24.40 H new ATOM 0 HA ASN A 8 -0.206 -8.075 -4.834 1.00 54.04 H new ATOM 0 HB2 ASN A 8 -1.476 -9.418 -6.651 1.00 40.03 H new ATOM 0 HB3 ASN A 8 -0.617 -8.428 -7.814 1.00 40.03 H new ATOM 0 HD21 ASN A 8 2.554 -9.990 -7.336 1.00 51.34 H new ATOM 0 HD22 ASN A 8 1.701 -8.583 -7.979 1.00 51.34 H new ATOM 125 N LEU A 9 -0.024 -5.737 -7.132 1.00 71.14 N ATOM 126 CA LEU A 9 0.789 -4.637 -7.598 1.00 74.42 C ATOM 127 C LEU A 9 1.217 -3.782 -6.408 1.00 5.21 C ATOM 128 O LEU A 9 2.361 -3.345 -6.320 1.00 42.20 O ATOM 129 CB LEU A 9 0.000 -3.805 -8.608 1.00 34.04 C ATOM 130 CG LEU A 9 0.713 -2.564 -9.127 1.00 12.43 C ATOM 131 CD1 LEU A 9 1.969 -2.937 -9.900 1.00 51.23 C ATOM 132 CD2 LEU A 9 -0.231 -1.746 -9.993 1.00 31.23 C ATOM 0 H LEU A 9 -0.968 -5.759 -7.517 1.00 71.14 H new ATOM 0 HA LEU A 9 1.682 -5.021 -8.091 1.00 74.42 H new ATOM 0 HB2 LEU A 9 -0.254 -4.440 -9.457 1.00 34.04 H new ATOM 0 HB3 LEU A 9 -0.939 -3.498 -8.147 1.00 34.04 H new ATOM 0 HG LEU A 9 1.019 -1.959 -8.273 1.00 12.43 H new ATOM 0 HD11 LEU A 9 2.458 -2.031 -10.259 1.00 51.23 H new ATOM 0 HD12 LEU A 9 2.650 -3.482 -9.246 1.00 51.23 H new ATOM 0 HD13 LEU A 9 1.700 -3.565 -10.749 1.00 51.23 H new ATOM 0 HD21 LEU A 9 0.287 -0.860 -10.360 1.00 31.23 H new ATOM 0 HD22 LEU A 9 -0.563 -2.348 -10.839 1.00 31.23 H new ATOM 0 HD23 LEU A 9 -1.095 -1.442 -9.402 1.00 31.23 H new ATOM 144 N LEU A 10 0.285 -3.584 -5.483 1.00 42.31 N ATOM 145 CA LEU A 10 0.540 -2.831 -4.262 1.00 21.03 C ATOM 146 C LEU A 10 1.687 -3.449 -3.470 1.00 55.30 C ATOM 147 O LEU A 10 2.642 -2.762 -3.108 1.00 34.14 O ATOM 148 CB LEU A 10 -0.729 -2.794 -3.401 1.00 21.54 C ATOM 149 CG LEU A 10 -0.624 -2.008 -2.095 1.00 63.32 C ATOM 150 CD1 LEU A 10 -0.423 -0.528 -2.376 1.00 4.41 C ATOM 151 CD2 LEU A 10 -1.864 -2.231 -1.243 1.00 21.02 C ATOM 0 H LEU A 10 -0.668 -3.941 -5.559 1.00 42.31 H new ATOM 0 HA LEU A 10 0.823 -1.815 -4.537 1.00 21.03 H new ATOM 0 HB2 LEU A 10 -1.537 -2.367 -3.996 1.00 21.54 H new ATOM 0 HB3 LEU A 10 -1.015 -3.819 -3.164 1.00 21.54 H new ATOM 0 HG LEU A 10 0.243 -2.369 -1.542 1.00 63.32 H new ATOM 0 HD11 LEU A 10 -0.351 0.015 -1.434 1.00 4.41 H new ATOM 0 HD12 LEU A 10 0.495 -0.387 -2.947 1.00 4.41 H new ATOM 0 HD13 LEU A 10 -1.269 -0.148 -2.949 1.00 4.41 H new ATOM 0 HD21 LEU A 10 -1.775 -1.665 -0.316 1.00 21.02 H new ATOM 0 HD22 LEU A 10 -2.746 -1.896 -1.789 1.00 21.02 H new ATOM 0 HD23 LEU A 10 -1.961 -3.292 -1.012 1.00 21.02 H new ATOM 163 N VAL A 11 1.600 -4.753 -3.222 1.00 60.11 N ATOM 164 CA VAL A 11 2.601 -5.437 -2.414 1.00 33.21 C ATOM 165 C VAL A 11 3.960 -5.458 -3.113 1.00 74.32 C ATOM 166 O VAL A 11 5.003 -5.444 -2.454 1.00 33.23 O ATOM 167 CB VAL A 11 2.163 -6.871 -2.030 1.00 62.24 C ATOM 168 CG1 VAL A 11 0.827 -6.837 -1.312 1.00 61.12 C ATOM 169 CG2 VAL A 11 2.095 -7.788 -3.237 1.00 24.52 C ATOM 0 H VAL A 11 0.851 -5.353 -3.567 1.00 60.11 H new ATOM 0 HA VAL A 11 2.699 -4.867 -1.490 1.00 33.21 H new ATOM 0 HB VAL A 11 2.920 -7.277 -1.358 1.00 62.24 H new ATOM 0 HG11 VAL A 11 0.530 -7.852 -1.047 1.00 61.12 H new ATOM 0 HG12 VAL A 11 0.916 -6.237 -0.406 1.00 61.12 H new ATOM 0 HG13 VAL A 11 0.074 -6.398 -1.966 1.00 61.12 H new ATOM 0 HG21 VAL A 11 1.784 -8.784 -2.921 1.00 24.52 H new ATOM 0 HG22 VAL A 11 1.375 -7.393 -3.954 1.00 24.52 H new ATOM 0 HG23 VAL A 11 3.078 -7.847 -3.705 1.00 24.52 H new ATOM 179 N GLU A 12 3.948 -5.472 -4.445 1.00 73.14 N ATOM 180 CA GLU A 12 5.183 -5.399 -5.218 1.00 11.34 C ATOM 181 C GLU A 12 5.828 -4.028 -5.052 1.00 52.34 C ATOM 182 O GLU A 12 7.034 -3.919 -4.821 1.00 42.24 O ATOM 183 CB GLU A 12 4.923 -5.670 -6.702 1.00 14.44 C ATOM 184 CG GLU A 12 4.426 -7.076 -6.989 1.00 73.22 C ATOM 185 CD GLU A 12 4.359 -7.386 -8.467 1.00 55.34 C ATOM 186 OE1 GLU A 12 5.431 -7.519 -9.094 1.00 52.41 O ATOM 187 OE2 GLU A 12 3.239 -7.522 -9.008 1.00 54.41 O ATOM 0 H GLU A 12 3.100 -5.533 -5.008 1.00 73.14 H new ATOM 0 HA GLU A 12 5.860 -6.166 -4.841 1.00 11.34 H new ATOM 0 HB2 GLU A 12 4.189 -4.953 -7.070 1.00 14.44 H new ATOM 0 HB3 GLU A 12 5.844 -5.499 -7.260 1.00 14.44 H new ATOM 0 HG2 GLU A 12 5.084 -7.795 -6.502 1.00 73.22 H new ATOM 0 HG3 GLU A 12 3.436 -7.202 -6.551 1.00 73.22 H new ATOM 194 N GLU A 13 5.012 -2.986 -5.147 1.00 63.32 N ATOM 195 CA GLU A 13 5.498 -1.622 -5.007 1.00 4.10 C ATOM 196 C GLU A 13 6.027 -1.367 -3.601 1.00 61.41 C ATOM 197 O GLU A 13 7.032 -0.685 -3.428 1.00 24.44 O ATOM 198 CB GLU A 13 4.399 -0.620 -5.359 1.00 21.34 C ATOM 199 CG GLU A 13 3.991 -0.681 -6.821 1.00 0.43 C ATOM 200 CD GLU A 13 5.189 -0.670 -7.751 1.00 73.32 C ATOM 201 OE1 GLU A 13 5.803 0.403 -7.918 1.00 73.44 O ATOM 202 OE2 GLU A 13 5.533 -1.739 -8.298 1.00 14.33 O ATOM 0 H GLU A 13 4.010 -3.061 -5.321 1.00 63.32 H new ATOM 0 HA GLU A 13 6.324 -1.488 -5.705 1.00 4.10 H new ATOM 0 HB2 GLU A 13 3.526 -0.811 -4.735 1.00 21.34 H new ATOM 0 HB3 GLU A 13 4.744 0.387 -5.125 1.00 21.34 H new ATOM 0 HG2 GLU A 13 3.406 -1.584 -6.996 1.00 0.43 H new ATOM 0 HG3 GLU A 13 3.346 0.167 -7.052 1.00 0.43 H new ATOM 209 N ILE A 14 5.369 -1.931 -2.598 1.00 61.12 N ATOM 210 CA ILE A 14 5.844 -1.808 -1.224 1.00 53.22 C ATOM 211 C ILE A 14 7.204 -2.490 -1.075 1.00 44.11 C ATOM 212 O ILE A 14 8.059 -2.034 -0.318 1.00 45.34 O ATOM 213 CB ILE A 14 4.832 -2.398 -0.216 1.00 54.11 C ATOM 214 CG1 ILE A 14 3.487 -1.681 -0.360 1.00 1.45 C ATOM 215 CG2 ILE A 14 5.356 -2.267 1.214 1.00 13.51 C ATOM 216 CD1 ILE A 14 2.386 -2.278 0.480 1.00 35.11 C ATOM 0 H ILE A 14 4.512 -2.474 -2.706 1.00 61.12 H new ATOM 0 HA ILE A 14 5.950 -0.746 -1.001 1.00 53.22 H new ATOM 0 HB ILE A 14 4.697 -3.458 -0.430 1.00 54.11 H new ATOM 0 HG12 ILE A 14 3.613 -0.634 -0.086 1.00 1.45 H new ATOM 0 HG13 ILE A 14 3.185 -1.702 -1.407 1.00 1.45 H new ATOM 0 HG21 ILE A 14 4.629 -2.688 1.908 1.00 13.51 H new ATOM 0 HG22 ILE A 14 6.300 -2.805 1.306 1.00 13.51 H new ATOM 0 HG23 ILE A 14 5.514 -1.214 1.449 1.00 13.51 H new ATOM 0 HD11 ILE A 14 1.465 -1.717 0.325 1.00 35.11 H new ATOM 0 HD12 ILE A 14 2.231 -3.317 0.191 1.00 35.11 H new ATOM 0 HD13 ILE A 14 2.666 -2.232 1.532 1.00 35.11 H new ATOM 228 N HIS A 15 7.403 -3.570 -1.823 1.00 31.35 N ATOM 229 CA HIS A 15 8.678 -4.285 -1.823 1.00 31.25 C ATOM 230 C HIS A 15 9.815 -3.412 -2.362 1.00 54.43 C ATOM 231 O HIS A 15 10.928 -3.449 -1.846 1.00 55.12 O ATOM 232 CB HIS A 15 8.577 -5.567 -2.656 1.00 20.24 C ATOM 233 CG HIS A 15 8.322 -6.802 -1.851 1.00 33.44 C ATOM 234 ND1 HIS A 15 9.253 -7.806 -1.718 1.00 12.42 N ATOM 235 CD2 HIS A 15 7.238 -7.204 -1.144 1.00 72.52 C ATOM 236 CE1 HIS A 15 8.759 -8.769 -0.970 1.00 55.41 C ATOM 237 NE2 HIS A 15 7.539 -8.431 -0.606 1.00 14.33 N ATOM 0 H HIS A 15 6.697 -3.972 -2.439 1.00 31.35 H new ATOM 0 HA HIS A 15 8.904 -4.542 -0.788 1.00 31.25 H new ATOM 0 HB2 HIS A 15 7.776 -5.451 -3.386 1.00 20.24 H new ATOM 0 HB3 HIS A 15 9.503 -5.697 -3.217 1.00 20.24 H new ATOM 0 HD2 HIS A 15 6.312 -6.661 -1.026 1.00 72.52 H new ATOM 0 HE1 HIS A 15 9.268 -9.683 -0.700 1.00 55.41 H new ATOM 0 HE2 HIS A 15 6.919 -8.990 -0.020 1.00 14.33 H new ATOM 246 N ARG A 16 9.536 -2.633 -3.407 1.00 31.34 N ATOM 247 CA ARG A 16 10.567 -1.811 -4.037 1.00 32.41 C ATOM 248 C ARG A 16 10.702 -0.450 -3.361 1.00 23.12 C ATOM 249 O ARG A 16 11.802 0.087 -3.242 1.00 35.43 O ATOM 250 CB ARG A 16 10.278 -1.612 -5.531 1.00 31.25 C ATOM 251 CG ARG A 16 8.872 -1.116 -5.829 1.00 33.20 C ATOM 252 CD ARG A 16 8.776 -0.464 -7.199 1.00 11.50 C ATOM 253 NE ARG A 16 9.558 0.774 -7.263 1.00 45.44 N ATOM 254 CZ ARG A 16 9.051 1.968 -7.582 1.00 60.12 C ATOM 255 NH1 ARG A 16 7.765 2.103 -7.875 1.00 65.53 N ATOM 256 NH2 ARG A 16 9.835 3.036 -7.598 1.00 74.24 N ATOM 0 H ARG A 16 8.612 -2.554 -3.832 1.00 31.34 H new ATOM 0 HA ARG A 16 11.508 -2.348 -3.921 1.00 32.41 H new ATOM 0 HB2 ARG A 16 10.997 -0.901 -5.938 1.00 31.25 H new ATOM 0 HB3 ARG A 16 10.436 -2.557 -6.050 1.00 31.25 H new ATOM 0 HG2 ARG A 16 8.174 -1.951 -5.776 1.00 33.20 H new ATOM 0 HG3 ARG A 16 8.571 -0.400 -5.065 1.00 33.20 H new ATOM 0 HD2 ARG A 16 9.132 -1.159 -7.959 1.00 11.50 H new ATOM 0 HD3 ARG A 16 7.732 -0.248 -7.428 1.00 11.50 H new ATOM 0 HE ARG A 16 10.554 0.720 -7.050 1.00 45.44 H new ATOM 0 HH11 ARG A 16 7.150 1.289 -7.858 1.00 65.53 H new ATOM 0 HH12 ARG A 16 7.391 3.020 -8.117 1.00 65.53 H new ATOM 0 HH21 ARG A 16 10.824 2.946 -7.367 1.00 74.24 H new ATOM 0 HH22 ARG A 16 9.449 3.948 -7.841 1.00 74.24 H new ATOM 270 N LEU A 17 9.583 0.108 -2.930 1.00 41.13 N ATOM 271 CA LEU A 17 9.546 1.482 -2.456 1.00 61.00 C ATOM 272 C LEU A 17 9.731 1.572 -0.948 1.00 61.41 C ATOM 273 O LEU A 17 10.069 2.631 -0.416 1.00 61.11 O ATOM 274 CB LEU A 17 8.206 2.095 -2.838 1.00 10.43 C ATOM 275 CG LEU A 17 8.243 3.563 -3.221 1.00 1.42 C ATOM 276 CD1 LEU A 17 9.227 3.782 -4.354 1.00 21.02 C ATOM 277 CD2 LEU A 17 6.853 4.011 -3.624 1.00 55.35 C ATOM 0 H LEU A 17 8.684 -0.372 -2.899 1.00 41.13 H new ATOM 0 HA LEU A 17 10.369 2.025 -2.921 1.00 61.00 H new ATOM 0 HB2 LEU A 17 7.793 1.530 -3.674 1.00 10.43 H new ATOM 0 HB3 LEU A 17 7.519 1.973 -2.001 1.00 10.43 H new ATOM 0 HG LEU A 17 8.572 4.155 -2.367 1.00 1.42 H new ATOM 0 HD11 LEU A 17 9.245 4.839 -4.621 1.00 21.02 H new ATOM 0 HD12 LEU A 17 10.222 3.470 -4.037 1.00 21.02 H new ATOM 0 HD13 LEU A 17 8.922 3.195 -5.220 1.00 21.02 H new ATOM 0 HD21 LEU A 17 6.876 5.065 -3.900 1.00 55.35 H new ATOM 0 HD22 LEU A 17 6.513 3.421 -4.475 1.00 55.35 H new ATOM 0 HD23 LEU A 17 6.168 3.870 -2.788 1.00 55.35 H new ATOM 289 N GLY A 18 9.508 0.466 -0.262 1.00 14.31 N ATOM 290 CA GLY A 18 9.533 0.482 1.181 1.00 32.10 C ATOM 291 C GLY A 18 10.850 0.014 1.758 1.00 71.25 C ATOM 292 O GLY A 18 11.828 -0.176 1.035 1.00 30.10 O ATOM 0 H GLY A 18 9.310 -0.443 -0.679 1.00 14.31 H new ATOM 0 HA2 GLY A 18 9.330 1.494 1.530 1.00 32.10 H new ATOM 0 HA3 GLY A 18 8.732 -0.153 1.559 1.00 32.10 H new ATOM 296 N SER A 19 10.867 -0.156 3.070 1.00 53.25 N ATOM 297 CA SER A 19 12.036 -0.636 3.784 1.00 14.45 C ATOM 298 C SER A 19 11.574 -1.538 4.925 1.00 35.23 C ATOM 299 O SER A 19 10.431 -1.427 5.378 1.00 44.20 O ATOM 300 CB SER A 19 12.843 0.555 4.318 1.00 74.41 C ATOM 301 OG SER A 19 14.081 0.143 4.878 1.00 14.24 O ATOM 0 H SER A 19 10.066 0.036 3.671 1.00 53.25 H new ATOM 0 HA SER A 19 12.681 -1.207 3.116 1.00 14.45 H new ATOM 0 HB2 SER A 19 13.027 1.262 3.509 1.00 74.41 H new ATOM 0 HB3 SER A 19 12.259 1.081 5.074 1.00 74.41 H new ATOM 0 HG SER A 19 14.569 0.927 5.206 1.00 14.24 H new ATOM 307 N LYS A 20 12.434 -2.443 5.372 1.00 22.34 N ATOM 308 CA LYS A 20 12.059 -3.379 6.422 1.00 44.40 C ATOM 309 C LYS A 20 12.223 -2.763 7.801 1.00 54.30 C ATOM 310 O LYS A 20 13.226 -2.112 8.099 1.00 33.11 O ATOM 311 CB LYS A 20 12.866 -4.675 6.325 1.00 53.43 C ATOM 312 CG LYS A 20 12.410 -5.584 5.198 1.00 51.32 C ATOM 313 CD LYS A 20 13.128 -6.924 5.226 1.00 11.34 C ATOM 314 CE LYS A 20 12.639 -7.836 4.111 1.00 32.51 C ATOM 315 NZ LYS A 20 13.198 -9.207 4.224 1.00 4.20 N ATOM 0 H LYS A 20 13.388 -2.549 5.027 1.00 22.34 H new ATOM 0 HA LYS A 20 11.005 -3.617 6.277 1.00 44.40 H new ATOM 0 HB2 LYS A 20 13.918 -4.430 6.181 1.00 53.43 H new ATOM 0 HB3 LYS A 20 12.790 -5.213 7.270 1.00 53.43 H new ATOM 0 HG2 LYS A 20 11.335 -5.746 5.275 1.00 51.32 H new ATOM 0 HG3 LYS A 20 12.591 -5.095 4.241 1.00 51.32 H new ATOM 0 HD2 LYS A 20 14.202 -6.766 5.125 1.00 11.34 H new ATOM 0 HD3 LYS A 20 12.966 -7.406 6.190 1.00 11.34 H new ATOM 0 HE2 LYS A 20 11.550 -7.886 4.135 1.00 32.51 H new ATOM 0 HE3 LYS A 20 12.917 -7.410 3.147 1.00 32.51 H new ATOM 0 HZ1 LYS A 20 12.838 -9.794 3.444 1.00 4.20 H new ATOM 0 HZ2 LYS A 20 14.236 -9.164 4.175 1.00 4.20 H new ATOM 0 HZ3 LYS A 20 12.912 -9.625 5.132 1.00 4.20 H new ATOM 329 N ASN A 21 11.219 -2.971 8.629 1.00 22.32 N ATOM 330 CA ASN A 21 11.220 -2.482 10.002 1.00 44.51 C ATOM 331 C ASN A 21 12.017 -3.418 10.895 1.00 2.53 C ATOM 332 O ASN A 21 12.494 -4.457 10.441 1.00 64.33 O ATOM 333 CB ASN A 21 9.786 -2.379 10.528 1.00 41.11 C ATOM 334 CG ASN A 21 8.962 -1.328 9.812 1.00 2.24 C ATOM 335 OD1 ASN A 21 7.665 -1.571 9.699 1.00 53.30 O flip ATOM 336 ND2 ASN A 21 9.486 -0.311 9.364 1.00 32.31 N flip ATOM 0 H ASN A 21 10.376 -3.484 8.373 1.00 22.32 H new ATOM 0 HA ASN A 21 11.681 -1.494 10.014 1.00 44.51 H new ATOM 0 HB2 ASN A 21 9.297 -3.348 10.424 1.00 41.11 H new ATOM 0 HB3 ASN A 21 9.812 -2.148 11.593 1.00 41.11 H new ATOM 0 HD21 ASN A 21 10.489 -0.164 9.473 1.00 32.31 H new ATOM 0 HD22 ASN A 21 8.918 0.386 8.883 1.00 32.31 H new ATOM 343 N ALA A 22 12.131 -3.064 12.168 1.00 15.21 N ATOM 344 CA ALA A 22 12.799 -3.913 13.146 1.00 53.34 C ATOM 345 C ALA A 22 11.960 -5.152 13.429 1.00 73.44 C ATOM 346 O ALA A 22 12.427 -6.113 14.040 1.00 72.11 O ATOM 347 CB ALA A 22 13.057 -3.143 14.431 1.00 70.44 C ATOM 0 H ALA A 22 11.768 -2.190 12.549 1.00 15.21 H new ATOM 0 HA ALA A 22 13.758 -4.228 12.735 1.00 53.34 H new ATOM 0 HB1 ALA A 22 13.556 -3.792 15.150 1.00 70.44 H new ATOM 0 HB2 ALA A 22 13.691 -2.282 14.218 1.00 70.44 H new ATOM 0 HB3 ALA A 22 12.109 -2.802 14.847 1.00 70.44 H new ATOM 353 N ASP A 23 10.708 -5.106 12.989 1.00 5.43 N ATOM 354 CA ASP A 23 9.806 -6.249 13.079 1.00 21.25 C ATOM 355 C ASP A 23 10.128 -7.243 11.960 1.00 14.33 C ATOM 356 O ASP A 23 9.786 -8.421 12.035 1.00 62.42 O ATOM 357 CB ASP A 23 8.351 -5.760 12.951 1.00 13.24 C ATOM 358 CG ASP A 23 7.310 -6.820 13.277 1.00 31.31 C ATOM 359 OD1 ASP A 23 7.211 -7.823 12.543 1.00 71.22 O ATOM 360 OD2 ASP A 23 6.562 -6.634 14.262 1.00 54.43 O ATOM 0 H ASP A 23 10.290 -4.279 12.562 1.00 5.43 H new ATOM 0 HA ASP A 23 9.933 -6.745 14.041 1.00 21.25 H new ATOM 0 HB2 ASP A 23 8.206 -4.907 13.614 1.00 13.24 H new ATOM 0 HB3 ASP A 23 8.186 -5.405 11.934 1.00 13.24 H new ATOM 365 N GLY A 24 10.835 -6.760 10.943 1.00 2.05 N ATOM 366 CA GLY A 24 11.155 -7.588 9.796 1.00 14.44 C ATOM 367 C GLY A 24 10.155 -7.419 8.669 1.00 3.41 C ATOM 368 O GLY A 24 10.286 -8.043 7.618 1.00 73.13 O ATOM 0 H GLY A 24 11.193 -5.806 10.894 1.00 2.05 H new ATOM 0 HA2 GLY A 24 12.152 -7.336 9.435 1.00 14.44 H new ATOM 0 HA3 GLY A 24 11.182 -8.634 10.102 1.00 14.44 H new ATOM 372 N LYS A 25 9.153 -6.573 8.883 1.00 63.13 N ATOM 373 CA LYS A 25 8.121 -6.345 7.879 1.00 20.30 C ATOM 374 C LYS A 25 8.399 -5.073 7.088 1.00 4.14 C ATOM 375 O LYS A 25 9.026 -4.146 7.598 1.00 15.11 O ATOM 376 CB LYS A 25 6.740 -6.253 8.534 1.00 12.04 C ATOM 377 CG LYS A 25 6.310 -7.521 9.253 1.00 65.54 C ATOM 378 CD LYS A 25 4.837 -7.475 9.621 1.00 24.24 C ATOM 379 CE LYS A 25 4.403 -8.719 10.379 1.00 42.31 C ATOM 380 NZ LYS A 25 4.871 -8.709 11.789 1.00 25.55 N ATOM 0 H LYS A 25 9.034 -6.035 9.741 1.00 63.13 H new ATOM 0 HA LYS A 25 8.134 -7.192 7.194 1.00 20.30 H new ATOM 0 HB2 LYS A 25 6.741 -5.427 9.245 1.00 12.04 H new ATOM 0 HB3 LYS A 25 6.002 -6.014 7.769 1.00 12.04 H new ATOM 0 HG2 LYS A 25 6.501 -8.385 8.617 1.00 65.54 H new ATOM 0 HG3 LYS A 25 6.908 -7.651 10.155 1.00 65.54 H new ATOM 0 HD2 LYS A 25 4.642 -6.592 10.230 1.00 24.24 H new ATOM 0 HD3 LYS A 25 4.239 -7.375 8.715 1.00 24.24 H new ATOM 0 HE2 LYS A 25 3.316 -8.793 10.359 1.00 42.31 H new ATOM 0 HE3 LYS A 25 4.792 -9.604 9.875 1.00 42.31 H new ATOM 0 HZ1 LYS A 25 4.702 -9.641 12.217 1.00 25.55 H new ATOM 0 HZ2 LYS A 25 5.888 -8.495 11.816 1.00 25.55 H new ATOM 0 HZ3 LYS A 25 4.351 -7.984 12.322 1.00 25.55 H new ATOM 394 N LEU A 26 7.935 -5.041 5.844 1.00 4.13 N ATOM 395 CA LEU A 26 8.106 -3.876 4.978 1.00 35.42 C ATOM 396 C LEU A 26 7.200 -2.734 5.425 1.00 5.01 C ATOM 397 O LEU A 26 6.107 -2.967 5.934 1.00 44.44 O ATOM 398 CB LEU A 26 7.769 -4.234 3.522 1.00 53.44 C ATOM 399 CG LEU A 26 8.809 -5.059 2.755 1.00 12.04 C ATOM 400 CD1 LEU A 26 10.124 -4.306 2.659 1.00 52.35 C ATOM 401 CD2 LEU A 26 9.015 -6.425 3.393 1.00 1.25 C ATOM 0 H LEU A 26 7.433 -5.815 5.408 1.00 4.13 H new ATOM 0 HA LEU A 26 9.147 -3.562 5.047 1.00 35.42 H new ATOM 0 HB2 LEU A 26 6.828 -4.784 3.516 1.00 53.44 H new ATOM 0 HB3 LEU A 26 7.600 -3.307 2.975 1.00 53.44 H new ATOM 0 HG LEU A 26 8.428 -5.220 1.746 1.00 12.04 H new ATOM 0 HD11 LEU A 26 10.849 -4.908 2.111 1.00 52.35 H new ATOM 0 HD12 LEU A 26 9.966 -3.363 2.135 1.00 52.35 H new ATOM 0 HD13 LEU A 26 10.502 -4.105 3.661 1.00 52.35 H new ATOM 0 HD21 LEU A 26 9.758 -6.984 2.824 1.00 1.25 H new ATOM 0 HD22 LEU A 26 9.362 -6.299 4.419 1.00 1.25 H new ATOM 0 HD23 LEU A 26 8.072 -6.972 3.394 1.00 1.25 H new ATOM 413 N SER A 27 7.665 -1.510 5.257 1.00 61.41 N ATOM 414 CA SER A 27 6.843 -0.338 5.503 1.00 40.52 C ATOM 415 C SER A 27 7.185 0.749 4.500 1.00 63.14 C ATOM 416 O SER A 27 8.311 0.805 4.001 1.00 45.45 O ATOM 417 CB SER A 27 7.066 0.181 6.921 1.00 64.11 C ATOM 418 OG SER A 27 6.199 1.257 7.228 1.00 35.34 O ATOM 0 H SER A 27 8.614 -1.300 4.949 1.00 61.41 H new ATOM 0 HA SER A 27 5.795 -0.617 5.392 1.00 40.52 H new ATOM 0 HB2 SER A 27 6.908 -0.628 7.634 1.00 64.11 H new ATOM 0 HB3 SER A 27 8.101 0.505 7.031 1.00 64.11 H new ATOM 0 HG SER A 27 6.080 1.315 8.199 1.00 35.34 H new ATOM 424 N VAL A 28 6.225 1.609 4.204 1.00 60.10 N ATOM 425 CA VAL A 28 6.471 2.722 3.307 1.00 3.15 C ATOM 426 C VAL A 28 5.517 3.885 3.598 1.00 61.41 C ATOM 427 O VAL A 28 4.352 3.670 3.919 1.00 12.14 O ATOM 428 CB VAL A 28 6.351 2.288 1.824 1.00 1.23 C ATOM 429 CG1 VAL A 28 4.959 1.754 1.519 1.00 34.22 C ATOM 430 CG2 VAL A 28 6.708 3.435 0.889 1.00 44.15 C ATOM 0 H VAL A 28 5.274 1.558 4.570 1.00 60.10 H new ATOM 0 HA VAL A 28 7.492 3.061 3.481 1.00 3.15 H new ATOM 0 HB VAL A 28 7.064 1.481 1.656 1.00 1.23 H new ATOM 0 HG11 VAL A 28 4.905 1.457 0.472 1.00 34.22 H new ATOM 0 HG12 VAL A 28 4.754 0.891 2.152 1.00 34.22 H new ATOM 0 HG13 VAL A 28 4.220 2.531 1.715 1.00 34.22 H new ATOM 0 HG21 VAL A 28 6.616 3.104 -0.145 1.00 44.15 H new ATOM 0 HG22 VAL A 28 6.031 4.271 1.064 1.00 44.15 H new ATOM 0 HG23 VAL A 28 7.733 3.753 1.078 1.00 44.15 H new ATOM 440 N LYS A 29 6.024 5.113 3.505 1.00 63.21 N ATOM 441 CA LYS A 29 5.192 6.302 3.680 1.00 71.52 C ATOM 442 C LYS A 29 4.110 6.365 2.614 1.00 21.33 C ATOM 443 O LYS A 29 4.376 6.117 1.434 1.00 62.51 O ATOM 444 CB LYS A 29 6.046 7.572 3.600 1.00 45.32 C ATOM 445 CG LYS A 29 6.871 7.839 4.843 1.00 51.43 C ATOM 446 CD LYS A 29 6.092 8.623 5.891 1.00 11.02 C ATOM 447 CE LYS A 29 6.250 10.135 5.725 1.00 12.22 C ATOM 448 NZ LYS A 29 5.525 10.674 4.539 1.00 41.21 N ATOM 0 H LYS A 29 7.005 5.311 3.310 1.00 63.21 H new ATOM 0 HA LYS A 29 4.725 6.238 4.663 1.00 71.52 H new ATOM 0 HB2 LYS A 29 6.714 7.495 2.742 1.00 45.32 H new ATOM 0 HB3 LYS A 29 5.393 8.426 3.419 1.00 45.32 H new ATOM 0 HG2 LYS A 29 7.199 6.891 5.270 1.00 51.43 H new ATOM 0 HG3 LYS A 29 7.769 8.393 4.569 1.00 51.43 H new ATOM 0 HD2 LYS A 29 5.036 8.362 5.826 1.00 11.02 H new ATOM 0 HD3 LYS A 29 6.431 8.332 6.885 1.00 11.02 H new ATOM 0 HE2 LYS A 29 5.885 10.633 6.623 1.00 12.22 H new ATOM 0 HE3 LYS A 29 7.309 10.376 5.636 1.00 12.22 H new ATOM 0 HZ1 LYS A 29 5.424 11.705 4.633 1.00 41.21 H new ATOM 0 HZ2 LYS A 29 6.062 10.456 3.675 1.00 41.21 H new ATOM 0 HZ3 LYS A 29 4.583 10.238 4.480 1.00 41.21 H new ATOM 462 N PHE A 30 2.895 6.704 3.031 1.00 60.31 N ATOM 463 CA PHE A 30 1.785 6.865 2.102 1.00 74.12 C ATOM 464 C PHE A 30 2.133 7.889 1.026 1.00 40.14 C ATOM 465 O PHE A 30 1.872 7.676 -0.158 1.00 51.23 O ATOM 466 CB PHE A 30 0.526 7.304 2.855 1.00 52.41 C ATOM 467 CG PHE A 30 -0.668 7.486 1.965 1.00 64.24 C ATOM 468 CD1 PHE A 30 -1.358 6.386 1.493 1.00 20.42 C ATOM 469 CD2 PHE A 30 -1.096 8.753 1.600 1.00 34.23 C ATOM 470 CE1 PHE A 30 -2.457 6.541 0.669 1.00 60.24 C ATOM 471 CE2 PHE A 30 -2.193 8.916 0.778 1.00 71.33 C ATOM 472 CZ PHE A 30 -2.875 7.809 0.312 1.00 52.11 C ATOM 0 H PHE A 30 2.655 6.873 4.008 1.00 60.31 H new ATOM 0 HA PHE A 30 1.595 5.905 1.621 1.00 74.12 H new ATOM 0 HB2 PHE A 30 0.291 6.562 3.618 1.00 52.41 H new ATOM 0 HB3 PHE A 30 0.730 8.241 3.373 1.00 52.41 H new ATOM 0 HD1 PHE A 30 -1.035 5.394 1.771 1.00 20.42 H new ATOM 0 HD2 PHE A 30 -0.566 9.621 1.962 1.00 34.23 H new ATOM 0 HE1 PHE A 30 -2.988 5.674 0.305 1.00 60.24 H new ATOM 0 HE2 PHE A 30 -2.518 9.908 0.500 1.00 71.33 H new ATOM 0 HZ PHE A 30 -3.734 7.934 -0.331 1.00 52.11 H new ATOM 482 N GLY A 31 2.754 8.984 1.451 1.00 12.50 N ATOM 483 CA GLY A 31 3.156 10.028 0.526 1.00 62.22 C ATOM 484 C GLY A 31 4.171 9.554 -0.498 1.00 12.53 C ATOM 485 O GLY A 31 4.141 9.983 -1.650 1.00 24.24 O ATOM 0 H GLY A 31 2.988 9.168 2.427 1.00 12.50 H new ATOM 0 HA2 GLY A 31 2.275 10.406 0.008 1.00 62.22 H new ATOM 0 HA3 GLY A 31 3.577 10.862 1.088 1.00 62.22 H new ATOM 489 N VAL A 32 5.068 8.663 -0.082 1.00 73.31 N ATOM 490 CA VAL A 32 6.089 8.127 -0.979 1.00 41.15 C ATOM 491 C VAL A 32 5.454 7.221 -2.024 1.00 44.31 C ATOM 492 O VAL A 32 5.720 7.351 -3.220 1.00 35.00 O ATOM 493 CB VAL A 32 7.175 7.342 -0.207 1.00 45.22 C ATOM 494 CG1 VAL A 32 8.132 6.641 -1.164 1.00 61.02 C ATOM 495 CG2 VAL A 32 7.943 8.274 0.716 1.00 22.55 C ATOM 0 H VAL A 32 5.109 8.297 0.869 1.00 73.31 H new ATOM 0 HA VAL A 32 6.566 8.975 -1.470 1.00 41.15 H new ATOM 0 HB VAL A 32 6.678 6.580 0.393 1.00 45.22 H new ATOM 0 HG11 VAL A 32 8.884 6.097 -0.593 1.00 61.02 H new ATOM 0 HG12 VAL A 32 7.575 5.942 -1.788 1.00 61.02 H new ATOM 0 HG13 VAL A 32 8.622 7.382 -1.796 1.00 61.02 H new ATOM 0 HG21 VAL A 32 8.704 7.708 1.253 1.00 22.55 H new ATOM 0 HG22 VAL A 32 8.421 9.057 0.127 1.00 22.55 H new ATOM 0 HG23 VAL A 32 7.255 8.726 1.431 1.00 22.55 H new ATOM 505 N LEU A 33 4.596 6.317 -1.562 1.00 25.54 N ATOM 506 CA LEU A 33 3.921 5.379 -2.449 1.00 45.54 C ATOM 507 C LEU A 33 3.043 6.144 -3.436 1.00 63.23 C ATOM 508 O LEU A 33 3.070 5.884 -4.637 1.00 51.50 O ATOM 509 CB LEU A 33 3.081 4.395 -1.623 1.00 30.32 C ATOM 510 CG LEU A 33 2.826 3.020 -2.259 1.00 42.22 C ATOM 511 CD1 LEU A 33 2.206 2.080 -1.242 1.00 41.24 C ATOM 512 CD2 LEU A 33 1.925 3.131 -3.481 1.00 40.41 C ATOM 0 H LEU A 33 4.352 6.215 -0.577 1.00 25.54 H new ATOM 0 HA LEU A 33 4.662 4.812 -3.012 1.00 45.54 H new ATOM 0 HB2 LEU A 33 3.577 4.242 -0.664 1.00 30.32 H new ATOM 0 HB3 LEU A 33 2.117 4.859 -1.413 1.00 30.32 H new ATOM 0 HG LEU A 33 3.786 2.619 -2.583 1.00 42.22 H new ATOM 0 HD11 LEU A 33 2.030 1.109 -1.704 1.00 41.24 H new ATOM 0 HD12 LEU A 33 2.883 1.962 -0.396 1.00 41.24 H new ATOM 0 HD13 LEU A 33 1.259 2.493 -0.894 1.00 41.24 H new ATOM 0 HD21 LEU A 33 1.765 2.140 -3.906 1.00 40.41 H new ATOM 0 HD22 LEU A 33 0.966 3.559 -3.189 1.00 40.41 H new ATOM 0 HD23 LEU A 33 2.398 3.773 -4.224 1.00 40.41 H new ATOM 524 N PHE A 34 2.293 7.108 -2.914 1.00 53.20 N ATOM 525 CA PHE A 34 1.409 7.931 -3.728 1.00 63.53 C ATOM 526 C PHE A 34 2.206 8.704 -4.776 1.00 32.31 C ATOM 527 O PHE A 34 1.828 8.753 -5.945 1.00 34.54 O ATOM 528 CB PHE A 34 0.629 8.893 -2.826 1.00 53.21 C ATOM 529 CG PHE A 34 -0.439 9.677 -3.536 1.00 75.21 C ATOM 530 CD1 PHE A 34 -1.543 9.036 -4.077 1.00 32.40 C ATOM 531 CD2 PHE A 34 -0.344 11.053 -3.650 1.00 64.41 C ATOM 532 CE1 PHE A 34 -2.533 9.754 -4.718 1.00 2.34 C ATOM 533 CE2 PHE A 34 -1.330 11.777 -4.291 1.00 13.41 C ATOM 534 CZ PHE A 34 -2.425 11.128 -4.826 1.00 31.33 C ATOM 0 H PHE A 34 2.281 7.339 -1.921 1.00 53.20 H new ATOM 0 HA PHE A 34 0.705 7.285 -4.252 1.00 63.53 H new ATOM 0 HB2 PHE A 34 0.169 8.323 -2.019 1.00 53.21 H new ATOM 0 HB3 PHE A 34 1.330 9.590 -2.366 1.00 53.21 H new ATOM 0 HD1 PHE A 34 -1.630 7.963 -3.996 1.00 32.40 H new ATOM 0 HD2 PHE A 34 0.510 11.566 -3.233 1.00 64.41 H new ATOM 0 HE1 PHE A 34 -3.389 9.244 -5.134 1.00 2.34 H new ATOM 0 HE2 PHE A 34 -1.245 12.850 -4.374 1.00 13.41 H new ATOM 0 HZ PHE A 34 -3.196 11.693 -5.328 1.00 31.33 H new ATOM 544 N ARG A 35 3.319 9.294 -4.351 1.00 73.33 N ATOM 545 CA ARG A 35 4.184 10.058 -5.248 1.00 11.14 C ATOM 546 C ARG A 35 4.694 9.202 -6.402 1.00 34.41 C ATOM 547 O ARG A 35 4.584 9.592 -7.565 1.00 63.03 O ATOM 548 CB ARG A 35 5.368 10.638 -4.472 1.00 3.13 C ATOM 549 CG ARG A 35 6.477 11.190 -5.358 1.00 64.32 C ATOM 550 CD ARG A 35 7.625 11.751 -4.532 1.00 10.14 C ATOM 551 NE ARG A 35 8.786 12.083 -5.357 1.00 31.52 N ATOM 552 CZ ARG A 35 9.182 13.324 -5.632 1.00 52.33 C ATOM 553 NH1 ARG A 35 8.515 14.362 -5.146 1.00 23.24 N ATOM 554 NH2 ARG A 35 10.253 13.526 -6.392 1.00 43.32 N ATOM 0 H ARG A 35 3.646 9.258 -3.385 1.00 73.33 H new ATOM 0 HA ARG A 35 3.589 10.870 -5.667 1.00 11.14 H new ATOM 0 HB2 ARG A 35 5.008 11.434 -3.820 1.00 3.13 H new ATOM 0 HB3 ARG A 35 5.783 9.862 -3.829 1.00 3.13 H new ATOM 0 HG2 ARG A 35 6.849 10.400 -6.011 1.00 64.32 H new ATOM 0 HG3 ARG A 35 6.074 11.972 -6.001 1.00 64.32 H new ATOM 0 HD2 ARG A 35 7.289 12.643 -4.004 1.00 10.14 H new ATOM 0 HD3 ARG A 35 7.915 11.023 -3.774 1.00 10.14 H new ATOM 0 HE ARG A 35 9.328 11.313 -5.748 1.00 31.52 H new ATOM 0 HH11 ARG A 35 7.695 14.211 -4.559 1.00 23.24 H new ATOM 0 HH12 ARG A 35 8.822 15.311 -5.359 1.00 23.24 H new ATOM 0 HH21 ARG A 35 10.771 12.730 -6.765 1.00 43.32 H new ATOM 0 HH22 ARG A 35 10.557 14.477 -6.603 1.00 43.32 H new ATOM 568 N ASP A 36 5.249 8.036 -6.084 1.00 63.34 N ATOM 569 CA ASP A 36 5.846 7.186 -7.108 1.00 32.31 C ATOM 570 C ASP A 36 4.763 6.620 -8.014 1.00 42.41 C ATOM 571 O ASP A 36 4.948 6.535 -9.229 1.00 22.43 O ATOM 572 CB ASP A 36 6.666 6.057 -6.480 1.00 75.53 C ATOM 573 CG ASP A 36 7.634 5.420 -7.465 1.00 42.41 C ATOM 574 OD1 ASP A 36 7.190 4.656 -8.345 1.00 53.45 O ATOM 575 OD2 ASP A 36 8.854 5.678 -7.364 1.00 51.42 O ATOM 0 H ASP A 36 5.298 7.662 -5.136 1.00 63.34 H new ATOM 0 HA ASP A 36 6.523 7.796 -7.706 1.00 32.31 H new ATOM 0 HB2 ASP A 36 7.224 6.448 -5.629 1.00 75.53 H new ATOM 0 HB3 ASP A 36 5.991 5.293 -6.094 1.00 75.53 H new ATOM 580 N ASP A 37 3.621 6.265 -7.423 1.00 4.42 N ATOM 581 CA ASP A 37 2.478 5.787 -8.198 1.00 51.33 C ATOM 582 C ASP A 37 2.091 6.793 -9.266 1.00 44.43 C ATOM 583 O ASP A 37 1.965 6.439 -10.432 1.00 0.01 O ATOM 584 CB ASP A 37 1.262 5.517 -7.310 1.00 3.30 C ATOM 585 CG ASP A 37 -0.011 5.369 -8.129 1.00 52.23 C ATOM 586 OD1 ASP A 37 -0.174 4.332 -8.807 1.00 64.42 O ATOM 587 OD2 ASP A 37 -0.839 6.305 -8.121 1.00 63.24 O ATOM 0 H ASP A 37 3.464 6.300 -6.416 1.00 4.42 H new ATOM 0 HA ASP A 37 2.786 4.852 -8.666 1.00 51.33 H new ATOM 0 HB2 ASP A 37 1.429 4.609 -6.730 1.00 3.30 H new ATOM 0 HB3 ASP A 37 1.143 6.333 -6.597 1.00 3.30 H new ATOM 592 N LYS A 38 1.943 8.055 -8.862 1.00 72.44 N ATOM 593 CA LYS A 38 1.466 9.119 -9.752 1.00 33.02 C ATOM 594 C LYS A 38 2.328 9.278 -11.002 1.00 10.42 C ATOM 595 O LYS A 38 1.921 9.943 -11.954 1.00 73.24 O ATOM 596 CB LYS A 38 1.392 10.453 -9.013 1.00 32.32 C ATOM 597 CG LYS A 38 0.319 10.501 -7.940 1.00 3.30 C ATOM 598 CD LYS A 38 0.061 11.927 -7.492 1.00 21.54 C ATOM 599 CE LYS A 38 -0.603 12.736 -8.594 1.00 3.12 C ATOM 600 NZ LYS A 38 -2.027 12.350 -8.786 1.00 61.55 N ATOM 0 H LYS A 38 2.149 8.370 -7.914 1.00 72.44 H new ATOM 0 HA LYS A 38 0.469 8.820 -10.074 1.00 33.02 H new ATOM 0 HB2 LYS A 38 2.360 10.658 -8.555 1.00 32.32 H new ATOM 0 HB3 LYS A 38 1.206 11.248 -9.735 1.00 32.32 H new ATOM 0 HG2 LYS A 38 -0.603 10.064 -8.323 1.00 3.30 H new ATOM 0 HG3 LYS A 38 0.627 9.898 -7.086 1.00 3.30 H new ATOM 0 HD2 LYS A 38 -0.574 11.924 -6.606 1.00 21.54 H new ATOM 0 HD3 LYS A 38 1.002 12.398 -7.208 1.00 21.54 H new ATOM 0 HE2 LYS A 38 -0.544 13.797 -8.351 1.00 3.12 H new ATOM 0 HE3 LYS A 38 -0.059 12.592 -9.528 1.00 3.12 H new ATOM 0 HZ1 LYS A 38 -2.480 13.012 -9.448 1.00 61.55 H new ATOM 0 HZ2 LYS A 38 -2.076 11.386 -9.173 1.00 61.55 H new ATOM 0 HZ3 LYS A 38 -2.522 12.382 -7.872 1.00 61.55 H new ATOM 614 N SER A 39 3.510 8.679 -11.000 1.00 72.13 N ATOM 615 CA SER A 39 4.375 8.718 -12.166 1.00 23.31 C ATOM 616 C SER A 39 3.729 7.959 -13.327 1.00 21.02 C ATOM 617 O SER A 39 3.841 8.357 -14.485 1.00 42.45 O ATOM 618 CB SER A 39 5.729 8.091 -11.838 1.00 13.14 C ATOM 619 OG SER A 39 6.301 8.675 -10.677 1.00 33.41 O ATOM 0 H SER A 39 3.889 8.163 -10.206 1.00 72.13 H new ATOM 0 HA SER A 39 4.522 9.759 -12.455 1.00 23.31 H new ATOM 0 HB2 SER A 39 5.608 7.018 -11.686 1.00 13.14 H new ATOM 0 HB3 SER A 39 6.406 8.219 -12.683 1.00 13.14 H new ATOM 0 HG SER A 39 6.019 8.171 -9.885 1.00 33.41 H new ATOM 625 N ALA A 40 3.050 6.863 -13.004 1.00 15.40 N ATOM 626 CA ALA A 40 2.390 6.042 -14.013 1.00 13.41 C ATOM 627 C ALA A 40 0.893 5.946 -13.748 1.00 4.11 C ATOM 628 O ALA A 40 0.117 5.597 -14.639 1.00 24.40 O ATOM 629 CB ALA A 40 3.003 4.648 -14.035 1.00 25.13 C ATOM 0 H ALA A 40 2.942 6.522 -12.049 1.00 15.40 H new ATOM 0 HA ALA A 40 2.536 6.516 -14.984 1.00 13.41 H new ATOM 0 HB1 ALA A 40 2.503 4.043 -14.791 1.00 25.13 H new ATOM 0 HB2 ALA A 40 4.065 4.721 -14.272 1.00 25.13 H new ATOM 0 HB3 ALA A 40 2.880 4.181 -13.058 1.00 25.13 H new ATOM 635 N ASN A 41 0.506 6.273 -12.517 1.00 53.24 N ATOM 636 CA ASN A 41 -0.847 6.047 -12.019 1.00 50.12 C ATOM 637 C ASN A 41 -1.233 4.597 -12.222 1.00 71.11 C ATOM 638 O ASN A 41 -2.073 4.257 -13.058 1.00 45.41 O ATOM 639 CB ASN A 41 -1.861 6.999 -12.654 1.00 64.14 C ATOM 640 CG ASN A 41 -1.964 8.317 -11.907 1.00 20.42 C ATOM 641 OD1 ASN A 41 -1.791 8.273 -10.592 1.00 42.13 O flip ATOM 642 ND2 ASN A 41 -2.202 9.367 -12.505 1.00 23.11 N flip ATOM 0 H ASN A 41 1.127 6.705 -11.833 1.00 53.24 H new ATOM 0 HA ASN A 41 -0.858 6.263 -10.951 1.00 50.12 H new ATOM 0 HB2 ASN A 41 -1.576 7.192 -13.688 1.00 64.14 H new ATOM 0 HB3 ASN A 41 -2.840 6.520 -12.677 1.00 64.14 H new ATOM 0 HD21 ASN A 41 -2.329 9.360 -13.517 1.00 23.11 H new ATOM 0 HD22 ASN A 41 -2.272 10.244 -11.988 1.00 23.11 H new ATOM 649 N LEU A 42 -0.572 3.744 -11.460 1.00 73.33 N ATOM 650 CA LEU A 42 -0.764 2.312 -11.553 1.00 60.11 C ATOM 651 C LEU A 42 -2.013 1.918 -10.790 1.00 15.13 C ATOM 652 O LEU A 42 -2.742 1.010 -11.192 1.00 24.20 O ATOM 653 CB LEU A 42 0.452 1.584 -10.979 1.00 1.31 C ATOM 654 CG LEU A 42 1.784 1.895 -11.664 1.00 31.21 C ATOM 655 CD1 LEU A 42 2.925 1.173 -10.969 1.00 40.21 C ATOM 656 CD2 LEU A 42 1.730 1.508 -13.132 1.00 44.22 C ATOM 0 H LEU A 42 0.113 4.027 -10.759 1.00 73.33 H new ATOM 0 HA LEU A 42 -0.879 2.031 -12.600 1.00 60.11 H new ATOM 0 HB2 LEU A 42 0.539 1.834 -9.922 1.00 1.31 H new ATOM 0 HB3 LEU A 42 0.274 0.510 -11.039 1.00 1.31 H new ATOM 0 HG LEU A 42 1.962 2.968 -11.594 1.00 31.21 H new ATOM 0 HD11 LEU A 42 3.864 1.407 -11.471 1.00 40.21 H new ATOM 0 HD12 LEU A 42 2.980 1.495 -9.929 1.00 40.21 H new ATOM 0 HD13 LEU A 42 2.752 0.098 -11.007 1.00 40.21 H new ATOM 0 HD21 LEU A 42 2.686 1.736 -13.604 1.00 44.22 H new ATOM 0 HD22 LEU A 42 1.528 0.441 -13.220 1.00 44.22 H new ATOM 0 HD23 LEU A 42 0.938 2.069 -13.627 1.00 44.22 H new ATOM 668 N PHE A 43 -2.247 2.610 -9.686 1.00 1.42 N ATOM 669 CA PHE A 43 -3.431 2.394 -8.882 1.00 70.41 C ATOM 670 C PHE A 43 -4.487 3.432 -9.232 1.00 73.55 C ATOM 671 O PHE A 43 -4.285 4.630 -9.014 1.00 73.04 O ATOM 672 CB PHE A 43 -3.087 2.476 -7.396 1.00 61.43 C ATOM 673 CG PHE A 43 -1.946 1.581 -6.999 1.00 65.21 C ATOM 674 CD1 PHE A 43 -2.094 0.203 -7.003 1.00 60.55 C ATOM 675 CD2 PHE A 43 -0.728 2.119 -6.620 1.00 43.13 C ATOM 676 CE1 PHE A 43 -1.048 -0.620 -6.635 1.00 60.02 C ATOM 677 CE2 PHE A 43 0.321 1.300 -6.253 1.00 74.41 C ATOM 678 CZ PHE A 43 0.160 -0.071 -6.260 1.00 70.13 C ATOM 0 H PHE A 43 -1.623 3.332 -9.327 1.00 1.42 H new ATOM 0 HA PHE A 43 -3.823 1.399 -9.093 1.00 70.41 H new ATOM 0 HB2 PHE A 43 -2.836 3.506 -7.145 1.00 61.43 H new ATOM 0 HB3 PHE A 43 -3.968 2.211 -6.811 1.00 61.43 H new ATOM 0 HD1 PHE A 43 -3.038 -0.232 -7.297 1.00 60.55 H new ATOM 0 HD2 PHE A 43 -0.597 3.191 -6.611 1.00 43.13 H new ATOM 0 HE1 PHE A 43 -1.176 -1.692 -6.641 1.00 60.02 H new ATOM 0 HE2 PHE A 43 1.267 1.732 -5.961 1.00 74.41 H new ATOM 0 HZ PHE A 43 0.979 -0.713 -5.972 1.00 70.13 H new ATOM 688 N GLU A 44 -5.595 2.970 -9.795 1.00 32.35 N ATOM 689 CA GLU A 44 -6.702 3.857 -10.137 1.00 24.51 C ATOM 690 C GLU A 44 -7.203 4.568 -8.883 1.00 21.00 C ATOM 691 O GLU A 44 -7.442 5.778 -8.883 1.00 4.20 O ATOM 692 CB GLU A 44 -7.833 3.055 -10.784 1.00 0.51 C ATOM 693 CG GLU A 44 -9.007 3.903 -11.247 1.00 33.42 C ATOM 694 CD GLU A 44 -10.110 3.075 -11.872 1.00 65.34 C ATOM 695 OE1 GLU A 44 -10.959 2.544 -11.125 1.00 30.32 O ATOM 696 OE2 GLU A 44 -10.136 2.948 -13.112 1.00 1.53 O ATOM 0 H GLU A 44 -5.753 1.989 -10.025 1.00 32.35 H new ATOM 0 HA GLU A 44 -6.355 4.606 -10.849 1.00 24.51 H new ATOM 0 HB2 GLU A 44 -7.434 2.508 -11.638 1.00 0.51 H new ATOM 0 HB3 GLU A 44 -8.193 2.313 -10.071 1.00 0.51 H new ATOM 0 HG2 GLU A 44 -9.409 4.456 -10.398 1.00 33.42 H new ATOM 0 HG3 GLU A 44 -8.656 4.640 -11.970 1.00 33.42 H new ATOM 703 N ALA A 45 -7.346 3.799 -7.816 1.00 42.34 N ATOM 704 CA ALA A 45 -7.693 4.340 -6.517 1.00 3.03 C ATOM 705 C ALA A 45 -6.839 3.684 -5.441 1.00 61.22 C ATOM 706 O ALA A 45 -7.169 2.602 -4.958 1.00 35.52 O ATOM 707 CB ALA A 45 -9.174 4.147 -6.221 1.00 14.24 C ATOM 0 H ALA A 45 -7.225 2.786 -7.828 1.00 42.34 H new ATOM 0 HA ALA A 45 -7.495 5.412 -6.523 1.00 3.03 H new ATOM 0 HB1 ALA A 45 -9.406 4.562 -5.240 1.00 14.24 H new ATOM 0 HB2 ALA A 45 -9.766 4.657 -6.981 1.00 14.24 H new ATOM 0 HB3 ALA A 45 -9.411 3.083 -6.230 1.00 14.24 H new ATOM 713 N LEU A 46 -5.738 4.337 -5.083 1.00 42.22 N ATOM 714 CA LEU A 46 -4.782 3.787 -4.123 1.00 71.12 C ATOM 715 C LEU A 46 -5.453 3.478 -2.787 1.00 45.34 C ATOM 716 O LEU A 46 -5.140 2.476 -2.144 1.00 72.45 O ATOM 717 CB LEU A 46 -3.614 4.761 -3.917 1.00 5.32 C ATOM 718 CG LEU A 46 -2.529 4.298 -2.935 1.00 44.12 C ATOM 719 CD1 LEU A 46 -1.922 2.977 -3.386 1.00 53.03 C ATOM 720 CD2 LEU A 46 -1.446 5.360 -2.800 1.00 53.41 C ATOM 0 H LEU A 46 -5.483 5.255 -5.446 1.00 42.22 H new ATOM 0 HA LEU A 46 -4.398 2.852 -4.531 1.00 71.12 H new ATOM 0 HB2 LEU A 46 -3.147 4.950 -4.884 1.00 5.32 H new ATOM 0 HB3 LEU A 46 -4.015 5.712 -3.566 1.00 5.32 H new ATOM 0 HG LEU A 46 -2.993 4.147 -1.960 1.00 44.12 H new ATOM 0 HD11 LEU A 46 -1.155 2.667 -2.676 1.00 53.03 H new ATOM 0 HD12 LEU A 46 -2.701 2.216 -3.434 1.00 53.03 H new ATOM 0 HD13 LEU A 46 -1.474 3.100 -4.372 1.00 53.03 H new ATOM 0 HD21 LEU A 46 -0.684 5.016 -2.100 1.00 53.41 H new ATOM 0 HD22 LEU A 46 -0.990 5.540 -3.773 1.00 53.41 H new ATOM 0 HD23 LEU A 46 -1.888 6.285 -2.430 1.00 53.41 H new ATOM 732 N VAL A 47 -6.380 4.339 -2.379 1.00 10.42 N ATOM 733 CA VAL A 47 -7.131 4.130 -1.143 1.00 14.14 C ATOM 734 C VAL A 47 -7.892 2.806 -1.191 1.00 42.32 C ATOM 735 O VAL A 47 -7.900 2.048 -0.222 1.00 1.10 O ATOM 736 CB VAL A 47 -8.124 5.286 -0.883 1.00 33.23 C ATOM 737 CG1 VAL A 47 -8.856 5.088 0.439 1.00 61.11 C ATOM 738 CG2 VAL A 47 -7.402 6.626 -0.902 1.00 15.54 C ATOM 0 H VAL A 47 -6.630 5.188 -2.885 1.00 10.42 H new ATOM 0 HA VAL A 47 -6.410 4.102 -0.326 1.00 14.14 H new ATOM 0 HB VAL A 47 -8.865 5.283 -1.683 1.00 33.23 H new ATOM 0 HG11 VAL A 47 -9.549 5.914 0.599 1.00 61.11 H new ATOM 0 HG12 VAL A 47 -9.411 4.150 0.411 1.00 61.11 H new ATOM 0 HG13 VAL A 47 -8.133 5.058 1.254 1.00 61.11 H new ATOM 0 HG21 VAL A 47 -8.117 7.427 -0.717 1.00 15.54 H new ATOM 0 HG22 VAL A 47 -6.636 6.638 -0.127 1.00 15.54 H new ATOM 0 HG23 VAL A 47 -6.935 6.774 -1.876 1.00 15.54 H new ATOM 748 N GLY A 48 -8.503 2.522 -2.336 1.00 31.33 N ATOM 749 CA GLY A 48 -9.253 1.289 -2.502 1.00 20.20 C ATOM 750 C GLY A 48 -8.354 0.070 -2.456 1.00 72.12 C ATOM 751 O GLY A 48 -8.696 -0.941 -1.840 1.00 1.25 O ATOM 0 H GLY A 48 -8.492 3.127 -3.157 1.00 31.33 H new ATOM 0 HA2 GLY A 48 -10.007 1.214 -1.718 1.00 20.20 H new ATOM 0 HA3 GLY A 48 -9.784 1.313 -3.453 1.00 20.20 H new ATOM 755 N THR A 49 -7.206 0.168 -3.114 1.00 60.14 N ATOM 756 CA THR A 49 -6.199 -0.882 -3.074 1.00 12.54 C ATOM 757 C THR A 49 -5.773 -1.170 -1.631 1.00 61.24 C ATOM 758 O THR A 49 -5.602 -2.328 -1.239 1.00 0.22 O ATOM 759 CB THR A 49 -4.969 -0.474 -3.907 1.00 32.40 C ATOM 760 OG1 THR A 49 -5.398 0.052 -5.169 1.00 35.45 O ATOM 761 CG2 THR A 49 -4.047 -1.658 -4.146 1.00 71.11 C ATOM 0 H THR A 49 -6.949 0.972 -3.686 1.00 60.14 H new ATOM 0 HA THR A 49 -6.635 -1.787 -3.498 1.00 12.54 H new ATOM 0 HB THR A 49 -4.419 0.284 -3.350 1.00 32.40 H new ATOM 0 HG1 THR A 49 -4.615 0.313 -5.698 1.00 35.45 H new ATOM 0 HG21 THR A 49 -3.189 -1.337 -4.737 1.00 71.11 H new ATOM 0 HG22 THR A 49 -3.703 -2.050 -3.189 1.00 71.11 H new ATOM 0 HG23 THR A 49 -4.587 -2.437 -4.684 1.00 71.11 H new ATOM 769 N LEU A 50 -5.619 -0.106 -0.844 1.00 31.32 N ATOM 770 CA LEU A 50 -5.272 -0.237 0.568 1.00 63.21 C ATOM 771 C LEU A 50 -6.396 -0.929 1.332 1.00 53.42 C ATOM 772 O LEU A 50 -6.148 -1.835 2.126 1.00 75.30 O ATOM 773 CB LEU A 50 -4.991 1.139 1.181 1.00 54.33 C ATOM 774 CG LEU A 50 -3.783 1.878 0.606 1.00 74.21 C ATOM 775 CD1 LEU A 50 -3.654 3.251 1.245 1.00 50.04 C ATOM 776 CD2 LEU A 50 -2.510 1.071 0.816 1.00 20.23 C ATOM 0 H LEU A 50 -5.729 0.857 -1.162 1.00 31.32 H new ATOM 0 HA LEU A 50 -4.371 -0.845 0.643 1.00 63.21 H new ATOM 0 HB2 LEU A 50 -5.874 1.764 1.049 1.00 54.33 H new ATOM 0 HB3 LEU A 50 -4.844 1.017 2.254 1.00 54.33 H new ATOM 0 HG LEU A 50 -3.933 2.005 -0.466 1.00 74.21 H new ATOM 0 HD11 LEU A 50 -2.790 3.767 0.827 1.00 50.04 H new ATOM 0 HD12 LEU A 50 -4.555 3.831 1.045 1.00 50.04 H new ATOM 0 HD13 LEU A 50 -3.525 3.141 2.322 1.00 50.04 H new ATOM 0 HD21 LEU A 50 -1.662 1.614 0.400 1.00 20.23 H new ATOM 0 HD22 LEU A 50 -2.351 0.913 1.883 1.00 20.23 H new ATOM 0 HD23 LEU A 50 -2.604 0.107 0.316 1.00 20.23 H new ATOM 788 N LYS A 51 -7.629 -0.497 1.076 1.00 5.23 N ATOM 789 CA LYS A 51 -8.813 -1.093 1.696 1.00 73.23 C ATOM 790 C LYS A 51 -8.844 -2.602 1.477 1.00 65.44 C ATOM 791 O LYS A 51 -9.096 -3.372 2.406 1.00 72.23 O ATOM 792 CB LYS A 51 -10.084 -0.472 1.107 1.00 63.51 C ATOM 793 CG LYS A 51 -10.274 1.001 1.447 1.00 53.02 C ATOM 794 CD LYS A 51 -10.893 1.192 2.823 1.00 53.20 C ATOM 795 CE LYS A 51 -12.293 0.603 2.879 1.00 23.13 C ATOM 796 NZ LYS A 51 -13.001 0.950 4.139 1.00 71.21 N ATOM 0 H LYS A 51 -7.836 0.271 0.437 1.00 5.23 H new ATOM 0 HA LYS A 51 -8.767 -0.894 2.767 1.00 73.23 H new ATOM 0 HB2 LYS A 51 -10.061 -0.583 0.023 1.00 63.51 H new ATOM 0 HB3 LYS A 51 -10.948 -1.031 1.466 1.00 63.51 H new ATOM 0 HG2 LYS A 51 -9.310 1.509 1.409 1.00 53.02 H new ATOM 0 HG3 LYS A 51 -10.910 1.468 0.695 1.00 53.02 H new ATOM 0 HD2 LYS A 51 -10.265 0.717 3.577 1.00 53.20 H new ATOM 0 HD3 LYS A 51 -10.932 2.254 3.063 1.00 53.20 H new ATOM 0 HE2 LYS A 51 -12.871 0.965 2.029 1.00 23.13 H new ATOM 0 HE3 LYS A 51 -12.233 -0.481 2.786 1.00 23.13 H new ATOM 0 HZ1 LYS A 51 -13.951 0.527 4.131 1.00 71.21 H new ATOM 0 HZ2 LYS A 51 -12.465 0.583 4.951 1.00 71.21 H new ATOM 0 HZ3 LYS A 51 -13.084 1.984 4.217 1.00 71.21 H new ATOM 810 N ALA A 52 -8.577 -3.010 0.244 1.00 42.11 N ATOM 811 CA ALA A 52 -8.591 -4.416 -0.130 1.00 13.12 C ATOM 812 C ALA A 52 -7.537 -5.209 0.638 1.00 40.42 C ATOM 813 O ALA A 52 -7.831 -6.248 1.234 1.00 4.10 O ATOM 814 CB ALA A 52 -8.361 -4.554 -1.627 1.00 4.51 C ATOM 0 H ALA A 52 -8.345 -2.378 -0.522 1.00 42.11 H new ATOM 0 HA ALA A 52 -9.568 -4.825 0.127 1.00 13.12 H new ATOM 0 HB1 ALA A 52 -8.372 -5.609 -1.901 1.00 4.51 H new ATOM 0 HB2 ALA A 52 -9.150 -4.030 -2.166 1.00 4.51 H new ATOM 0 HB3 ALA A 52 -7.395 -4.122 -1.888 1.00 4.51 H new ATOM 820 N ALA A 53 -6.313 -4.705 0.635 1.00 45.43 N ATOM 821 CA ALA A 53 -5.199 -5.406 1.256 1.00 61.55 C ATOM 822 C ALA A 53 -5.270 -5.343 2.777 1.00 10.34 C ATOM 823 O ALA A 53 -4.757 -6.226 3.461 1.00 44.03 O ATOM 824 CB ALA A 53 -3.881 -4.843 0.755 1.00 25.12 C ATOM 0 H ALA A 53 -6.065 -3.812 0.209 1.00 45.43 H new ATOM 0 HA ALA A 53 -5.265 -6.456 0.972 1.00 61.55 H new ATOM 0 HB1 ALA A 53 -3.055 -5.375 1.227 1.00 25.12 H new ATOM 0 HB2 ALA A 53 -3.821 -4.965 -0.326 1.00 25.12 H new ATOM 0 HB3 ALA A 53 -3.819 -3.784 1.005 1.00 25.12 H new ATOM 830 N LYS A 54 -5.899 -4.302 3.304 1.00 11.33 N ATOM 831 CA LYS A 54 -6.045 -4.165 4.746 1.00 51.21 C ATOM 832 C LYS A 54 -7.023 -5.202 5.283 1.00 3.54 C ATOM 833 O LYS A 54 -6.809 -5.772 6.353 1.00 20.24 O ATOM 834 CB LYS A 54 -6.507 -2.753 5.119 1.00 52.45 C ATOM 835 CG LYS A 54 -6.607 -2.525 6.620 1.00 44.14 C ATOM 836 CD LYS A 54 -6.995 -1.092 6.937 1.00 11.52 C ATOM 837 CE LYS A 54 -7.175 -0.881 8.431 1.00 22.42 C ATOM 838 NZ LYS A 54 -8.269 -1.722 8.984 1.00 74.21 N ATOM 0 H LYS A 54 -6.313 -3.545 2.760 1.00 11.33 H new ATOM 0 HA LYS A 54 -5.070 -4.335 5.202 1.00 51.21 H new ATOM 0 HB2 LYS A 54 -5.813 -2.028 4.695 1.00 52.45 H new ATOM 0 HB3 LYS A 54 -7.480 -2.566 4.665 1.00 52.45 H new ATOM 0 HG2 LYS A 54 -7.345 -3.206 7.045 1.00 44.14 H new ATOM 0 HG3 LYS A 54 -5.651 -2.757 7.089 1.00 44.14 H new ATOM 0 HD2 LYS A 54 -6.227 -0.415 6.563 1.00 11.52 H new ATOM 0 HD3 LYS A 54 -7.921 -0.842 6.419 1.00 11.52 H new ATOM 0 HE2 LYS A 54 -6.243 -1.115 8.945 1.00 22.42 H new ATOM 0 HE3 LYS A 54 -7.392 0.169 8.625 1.00 22.42 H new ATOM 0 HZ1 LYS A 54 -8.531 -1.374 9.929 1.00 74.21 H new ATOM 0 HZ2 LYS A 54 -9.096 -1.673 8.356 1.00 74.21 H new ATOM 0 HZ3 LYS A 54 -7.947 -2.708 9.055 1.00 74.21 H new ATOM 852 N ARG A 55 -8.088 -5.458 4.533 1.00 3.22 N ATOM 853 CA ARG A 55 -9.067 -6.466 4.928 1.00 54.15 C ATOM 854 C ARG A 55 -8.505 -7.870 4.748 1.00 10.14 C ATOM 855 O ARG A 55 -8.906 -8.803 5.445 1.00 2.23 O ATOM 856 CB ARG A 55 -10.375 -6.307 4.152 1.00 34.43 C ATOM 857 CG ARG A 55 -11.258 -5.198 4.692 1.00 50.23 C ATOM 858 CD ARG A 55 -12.639 -5.216 4.055 1.00 30.03 C ATOM 859 NE ARG A 55 -13.578 -4.367 4.786 1.00 3.51 N ATOM 860 CZ ARG A 55 -14.895 -4.556 4.817 1.00 13.13 C ATOM 861 NH1 ARG A 55 -15.446 -5.554 4.137 1.00 23.21 N ATOM 862 NH2 ARG A 55 -15.657 -3.749 5.542 1.00 52.34 N ATOM 0 H ARG A 55 -8.296 -4.986 3.653 1.00 3.22 H new ATOM 0 HA ARG A 55 -9.285 -6.316 5.985 1.00 54.15 H new ATOM 0 HB2 ARG A 55 -10.147 -6.104 3.106 1.00 34.43 H new ATOM 0 HB3 ARG A 55 -10.925 -7.248 4.182 1.00 34.43 H new ATOM 0 HG2 ARG A 55 -11.355 -5.304 5.773 1.00 50.23 H new ATOM 0 HG3 ARG A 55 -10.785 -4.234 4.507 1.00 50.23 H new ATOM 0 HD2 ARG A 55 -12.568 -4.876 3.022 1.00 30.03 H new ATOM 0 HD3 ARG A 55 -13.016 -6.239 4.029 1.00 30.03 H new ATOM 0 HE ARG A 55 -13.198 -3.577 5.307 1.00 3.51 H new ATOM 0 HH11 ARG A 55 -14.859 -6.181 3.587 1.00 23.21 H new ATOM 0 HH12 ARG A 55 -16.456 -5.694 4.165 1.00 23.21 H new ATOM 0 HH21 ARG A 55 -15.233 -2.988 6.072 1.00 52.34 H new ATOM 0 HH22 ARG A 55 -16.667 -3.889 5.569 1.00 52.34 H new ATOM 876 N ARG A 56 -7.562 -8.013 3.824 1.00 71.14 N ATOM 877 CA ARG A 56 -6.873 -9.284 3.636 1.00 64.34 C ATOM 878 C ARG A 56 -5.699 -9.404 4.605 1.00 55.35 C ATOM 879 O ARG A 56 -4.945 -10.378 4.567 1.00 40.25 O ATOM 880 CB ARG A 56 -6.377 -9.433 2.197 1.00 24.02 C ATOM 881 CG ARG A 56 -7.489 -9.591 1.175 1.00 22.14 C ATOM 882 CD ARG A 56 -6.935 -9.874 -0.214 1.00 75.01 C ATOM 883 NE ARG A 56 -8.002 -10.010 -1.207 1.00 63.03 N ATOM 884 CZ ARG A 56 -7.799 -10.190 -2.513 1.00 45.51 C ATOM 885 NH1 ARG A 56 -6.567 -10.327 -2.996 1.00 34.51 N ATOM 886 NH2 ARG A 56 -8.838 -10.252 -3.336 1.00 35.02 N ATOM 0 H ARG A 56 -7.258 -7.269 3.196 1.00 71.14 H new ATOM 0 HA ARG A 56 -7.586 -10.083 3.840 1.00 64.34 H new ATOM 0 HB2 ARG A 56 -5.780 -8.559 1.937 1.00 24.02 H new ATOM 0 HB3 ARG A 56 -5.718 -10.299 2.138 1.00 24.02 H new ATOM 0 HG2 ARG A 56 -8.149 -10.404 1.477 1.00 22.14 H new ATOM 0 HG3 ARG A 56 -8.092 -8.684 1.149 1.00 22.14 H new ATOM 0 HD2 ARG A 56 -6.264 -9.067 -0.509 1.00 75.01 H new ATOM 0 HD3 ARG A 56 -6.342 -10.788 -0.190 1.00 75.01 H new ATOM 0 HE ARG A 56 -8.966 -9.964 -0.878 1.00 63.03 H new ATOM 0 HH11 ARG A 56 -5.766 -10.295 -2.366 1.00 34.51 H new ATOM 0 HH12 ARG A 56 -6.424 -10.464 -3.997 1.00 34.51 H new ATOM 0 HH21 ARG A 56 -9.785 -10.162 -2.969 1.00 35.02 H new ATOM 0 HH22 ARG A 56 -8.689 -10.389 -4.336 1.00 35.02 H new ATOM 900 N LYS A 57 -5.554 -8.392 5.466 1.00 53.12 N ATOM 901 CA LYS A 57 -4.505 -8.349 6.484 1.00 21.41 C ATOM 902 C LYS A 57 -3.120 -8.420 5.859 1.00 61.05 C ATOM 903 O LYS A 57 -2.163 -8.889 6.475 1.00 25.23 O ATOM 904 CB LYS A 57 -4.717 -9.472 7.491 1.00 71.13 C ATOM 905 CG LYS A 57 -6.025 -9.338 8.245 1.00 24.03 C ATOM 906 CD LYS A 57 -6.425 -10.643 8.893 1.00 21.52 C ATOM 907 CE LYS A 57 -7.748 -10.508 9.624 1.00 61.04 C ATOM 908 NZ LYS A 57 -8.194 -11.796 10.210 1.00 10.41 N ATOM 0 H LYS A 57 -6.166 -7.576 5.475 1.00 53.12 H new ATOM 0 HA LYS A 57 -4.568 -7.395 7.007 1.00 21.41 H new ATOM 0 HB2 LYS A 57 -4.698 -10.430 6.971 1.00 71.13 H new ATOM 0 HB3 LYS A 57 -3.891 -9.479 8.202 1.00 71.13 H new ATOM 0 HG2 LYS A 57 -5.929 -8.566 9.008 1.00 24.03 H new ATOM 0 HG3 LYS A 57 -6.809 -9.014 7.561 1.00 24.03 H new ATOM 0 HD2 LYS A 57 -6.504 -11.421 8.133 1.00 21.52 H new ATOM 0 HD3 LYS A 57 -5.650 -10.958 9.592 1.00 21.52 H new ATOM 0 HE2 LYS A 57 -7.651 -9.764 10.415 1.00 61.04 H new ATOM 0 HE3 LYS A 57 -8.508 -10.142 8.934 1.00 61.04 H new ATOM 0 HZ1 LYS A 57 -9.101 -11.659 10.700 1.00 10.41 H new ATOM 0 HZ2 LYS A 57 -8.312 -12.499 9.453 1.00 10.41 H new ATOM 0 HZ3 LYS A 57 -7.482 -12.134 10.888 1.00 10.41 H new ATOM 922 N ILE A 58 -3.024 -7.923 4.637 1.00 22.45 N ATOM 923 CA ILE A 58 -1.767 -7.877 3.923 1.00 40.41 C ATOM 924 C ILE A 58 -1.001 -6.621 4.307 1.00 31.44 C ATOM 925 O ILE A 58 0.220 -6.641 4.425 1.00 35.35 O ATOM 926 CB ILE A 58 -1.994 -7.905 2.399 1.00 74.53 C ATOM 927 CG1 ILE A 58 -2.795 -9.148 2.012 1.00 2.45 C ATOM 928 CG2 ILE A 58 -0.664 -7.880 1.662 1.00 52.32 C ATOM 929 CD1 ILE A 58 -3.244 -9.157 0.570 1.00 73.13 C ATOM 0 H ILE A 58 -3.814 -7.542 4.117 1.00 22.45 H new ATOM 0 HA ILE A 58 -1.186 -8.757 4.198 1.00 40.41 H new ATOM 0 HB ILE A 58 -2.561 -7.019 2.113 1.00 74.53 H new ATOM 0 HG12 ILE A 58 -2.188 -10.034 2.200 1.00 2.45 H new ATOM 0 HG13 ILE A 58 -3.671 -9.220 2.656 1.00 2.45 H new ATOM 0 HG21 ILE A 58 -0.843 -7.900 0.587 1.00 52.32 H new ATOM 0 HG22 ILE A 58 -0.121 -6.972 1.922 1.00 52.32 H new ATOM 0 HG23 ILE A 58 -0.073 -8.750 1.948 1.00 52.32 H new ATOM 0 HD11 ILE A 58 -3.806 -10.069 0.370 1.00 73.13 H new ATOM 0 HD12 ILE A 58 -3.878 -8.291 0.381 1.00 73.13 H new ATOM 0 HD13 ILE A 58 -2.372 -9.117 -0.083 1.00 73.13 H new ATOM 941 N VAL A 59 -1.729 -5.532 4.515 1.00 22.34 N ATOM 942 CA VAL A 59 -1.127 -4.279 4.949 1.00 35.23 C ATOM 943 C VAL A 59 -1.929 -3.679 6.093 1.00 32.51 C ATOM 944 O VAL A 59 -3.086 -4.044 6.305 1.00 0.21 O ATOM 945 CB VAL A 59 -1.043 -3.240 3.807 1.00 64.15 C ATOM 946 CG1 VAL A 59 -0.186 -3.753 2.660 1.00 31.23 C ATOM 947 CG2 VAL A 59 -2.432 -2.870 3.313 1.00 53.13 C ATOM 0 H VAL A 59 -2.740 -5.492 4.390 1.00 22.34 H new ATOM 0 HA VAL A 59 -0.114 -4.515 5.274 1.00 35.23 H new ATOM 0 HB VAL A 59 -0.569 -2.343 4.206 1.00 64.15 H new ATOM 0 HG11 VAL A 59 -0.145 -3.001 1.872 1.00 31.23 H new ATOM 0 HG12 VAL A 59 0.822 -3.955 3.021 1.00 31.23 H new ATOM 0 HG13 VAL A 59 -0.620 -4.671 2.264 1.00 31.23 H new ATOM 0 HG21 VAL A 59 -2.349 -2.138 2.510 1.00 53.13 H new ATOM 0 HG22 VAL A 59 -2.935 -3.762 2.940 1.00 53.13 H new ATOM 0 HG23 VAL A 59 -3.009 -2.444 4.134 1.00 53.13 H new ATOM 957 N THR A 60 -1.313 -2.771 6.828 1.00 4.32 N ATOM 958 CA THR A 60 -1.999 -2.063 7.889 1.00 24.31 C ATOM 959 C THR A 60 -1.550 -0.609 7.937 1.00 73.35 C ATOM 960 O THR A 60 -0.402 -0.283 7.613 1.00 13.35 O ATOM 961 CB THR A 60 -1.762 -2.718 9.269 1.00 54.11 C ATOM 962 OG1 THR A 60 -2.602 -2.105 10.256 1.00 33.34 O ATOM 963 CG2 THR A 60 -0.304 -2.596 9.696 1.00 23.24 C ATOM 0 H THR A 60 -0.335 -2.507 6.707 1.00 4.32 H new ATOM 0 HA THR A 60 -3.065 -2.112 7.667 1.00 24.31 H new ATOM 0 HB THR A 60 -2.009 -3.776 9.183 1.00 54.11 H new ATOM 0 HG1 THR A 60 -2.446 -2.528 11.126 1.00 33.34 H new ATOM 0 HG21 THR A 60 -0.170 -3.066 10.670 1.00 23.24 H new ATOM 0 HG22 THR A 60 0.332 -3.092 8.963 1.00 23.24 H new ATOM 0 HG23 THR A 60 -0.031 -1.543 9.761 1.00 23.24 H new ATOM 971 N TYR A 61 -2.471 0.252 8.325 1.00 34.55 N ATOM 972 CA TYR A 61 -2.201 1.668 8.497 1.00 22.02 C ATOM 973 C TYR A 61 -3.303 2.271 9.362 1.00 62.20 C ATOM 974 O TYR A 61 -4.459 1.866 9.248 1.00 35.33 O ATOM 975 CB TYR A 61 -2.116 2.378 7.134 1.00 13.41 C ATOM 976 CG TYR A 61 -3.400 2.374 6.328 1.00 52.50 C ATOM 977 CD1 TYR A 61 -3.940 1.193 5.830 1.00 50.33 C ATOM 978 CD2 TYR A 61 -4.070 3.561 6.065 1.00 45.25 C ATOM 979 CE1 TYR A 61 -5.109 1.196 5.097 1.00 4.44 C ATOM 980 CE2 TYR A 61 -5.241 3.572 5.330 1.00 5.43 C ATOM 981 CZ TYR A 61 -5.758 2.386 4.851 1.00 15.52 C ATOM 982 OH TYR A 61 -6.925 2.386 4.123 1.00 31.53 O ATOM 0 H TYR A 61 -3.434 -0.012 8.531 1.00 34.55 H new ATOM 0 HA TYR A 61 -1.238 1.802 8.990 1.00 22.02 H new ATOM 0 HB2 TYR A 61 -1.811 3.412 7.298 1.00 13.41 H new ATOM 0 HB3 TYR A 61 -1.332 1.904 6.543 1.00 13.41 H new ATOM 0 HD1 TYR A 61 -3.436 0.257 6.020 1.00 50.33 H new ATOM 0 HD2 TYR A 61 -3.670 4.491 6.441 1.00 45.25 H new ATOM 0 HE1 TYR A 61 -5.514 0.269 4.718 1.00 4.44 H new ATOM 0 HE2 TYR A 61 -5.749 4.504 5.132 1.00 5.43 H new ATOM 0 HH TYR A 61 -7.258 3.304 4.039 1.00 31.53 H new ATOM 992 N PRO A 62 -2.955 3.197 10.276 1.00 42.44 N ATOM 993 CA PRO A 62 -3.930 3.836 11.175 1.00 43.32 C ATOM 994 C PRO A 62 -5.155 4.370 10.437 1.00 12.41 C ATOM 995 O PRO A 62 -5.039 4.979 9.369 1.00 33.03 O ATOM 996 CB PRO A 62 -3.135 4.989 11.790 1.00 73.21 C ATOM 997 CG PRO A 62 -1.720 4.528 11.759 1.00 71.01 C ATOM 998 CD PRO A 62 -1.584 3.675 10.525 1.00 33.02 C ATOM 0 HA PRO A 62 -4.330 3.131 11.904 1.00 43.32 H new ATOM 0 HB2 PRO A 62 -3.265 5.909 11.220 1.00 73.21 H new ATOM 0 HB3 PRO A 62 -3.462 5.197 12.809 1.00 73.21 H new ATOM 0 HG2 PRO A 62 -1.035 5.375 11.724 1.00 71.01 H new ATOM 0 HG3 PRO A 62 -1.476 3.958 12.655 1.00 71.01 H new ATOM 0 HD2 PRO A 62 -1.201 4.250 9.682 1.00 33.02 H new ATOM 0 HD3 PRO A 62 -0.894 2.846 10.685 1.00 33.02 H new ATOM 1125 N HIS A 71 -2.429 12.522 6.808 1.00 53.22 N ATOM 1126 CA HIS A 71 -1.945 11.190 7.147 1.00 53.42 C ATOM 1127 C HIS A 71 -0.761 10.781 6.275 1.00 32.13 C ATOM 1128 O HIS A 71 -0.420 9.604 6.197 1.00 44.43 O ATOM 1129 CB HIS A 71 -3.062 10.160 7.044 1.00 71.12 C ATOM 1130 CG HIS A 71 -3.731 9.889 8.357 1.00 44.03 C ATOM 1131 ND1 HIS A 71 -3.202 10.259 9.576 1.00 20.10 N ATOM 1132 CD2 HIS A 71 -4.890 9.261 8.633 1.00 22.25 C ATOM 1133 CE1 HIS A 71 -4.009 9.867 10.541 1.00 61.24 C ATOM 1134 NE2 HIS A 71 -5.043 9.257 9.999 1.00 71.24 N ATOM 0 HA HIS A 71 -1.601 11.226 8.181 1.00 53.42 H new ATOM 0 HB2 HIS A 71 -3.806 10.510 6.329 1.00 71.12 H new ATOM 0 HB3 HIS A 71 -2.655 9.229 6.651 1.00 71.12 H new ATOM 0 HD2 HIS A 71 -5.574 8.838 7.913 1.00 22.25 H new ATOM 0 HE1 HIS A 71 -3.850 10.020 11.598 1.00 61.24 H new ATOM 0 HE2 HIS A 71 -5.827 8.849 10.508 1.00 71.24 H new ATOM 1143 N ASP A 72 -0.143 11.758 5.614 1.00 4.33 N ATOM 1144 CA ASP A 72 1.039 11.513 4.775 1.00 1.23 C ATOM 1145 C ASP A 72 2.145 10.806 5.558 1.00 42.13 C ATOM 1146 O ASP A 72 2.894 9.991 5.010 1.00 42.31 O ATOM 1147 CB ASP A 72 1.579 12.834 4.220 1.00 72.24 C ATOM 1148 CG ASP A 72 3.003 12.704 3.708 1.00 50.34 C ATOM 1149 OD1 ASP A 72 3.190 12.270 2.560 1.00 71.23 O ATOM 1150 OD2 ASP A 72 3.943 13.029 4.461 1.00 2.42 O ATOM 0 H ASP A 72 -0.440 12.733 5.641 1.00 4.33 H new ATOM 0 HA ASP A 72 0.729 10.867 3.954 1.00 1.23 H new ATOM 0 HB2 ASP A 72 0.934 13.176 3.411 1.00 72.24 H new ATOM 0 HB3 ASP A 72 1.543 13.595 5.000 1.00 72.24 H new ATOM 1155 N ASP A 73 2.220 11.105 6.846 1.00 54.10 N ATOM 1156 CA ASP A 73 3.276 10.579 7.702 1.00 64.00 C ATOM 1157 C ASP A 73 2.909 9.205 8.249 1.00 75.13 C ATOM 1158 O ASP A 73 3.603 8.656 9.108 1.00 11.25 O ATOM 1159 CB ASP A 73 3.544 11.541 8.856 1.00 1.53 C ATOM 1160 CG ASP A 73 2.357 11.677 9.787 1.00 51.02 C ATOM 1161 OD1 ASP A 73 1.339 12.278 9.380 1.00 14.11 O ATOM 1162 OD2 ASP A 73 2.442 11.205 10.940 1.00 33.12 O ATOM 0 H ASP A 73 1.557 11.714 7.326 1.00 54.10 H new ATOM 0 HA ASP A 73 4.178 10.477 7.099 1.00 64.00 H new ATOM 0 HB2 ASP A 73 4.407 11.192 9.422 1.00 1.53 H new ATOM 0 HB3 ASP A 73 3.801 12.521 8.455 1.00 1.53 H new ATOM 1167 N VAL A 74 1.824 8.650 7.743 1.00 11.44 N ATOM 1168 CA VAL A 74 1.427 7.302 8.093 1.00 4.14 C ATOM 1169 C VAL A 74 2.190 6.300 7.241 1.00 63.41 C ATOM 1170 O VAL A 74 2.207 6.390 6.009 1.00 23.32 O ATOM 1171 CB VAL A 74 -0.095 7.090 7.924 1.00 73.11 C ATOM 1172 CG1 VAL A 74 -0.457 5.614 7.972 1.00 31.05 C ATOM 1173 CG2 VAL A 74 -0.855 7.851 8.997 1.00 50.25 C ATOM 0 H VAL A 74 1.200 9.116 7.085 1.00 11.44 H new ATOM 0 HA VAL A 74 1.668 7.147 9.145 1.00 4.14 H new ATOM 0 HB VAL A 74 -0.380 7.475 6.945 1.00 73.11 H new ATOM 0 HG11 VAL A 74 -1.534 5.499 7.850 1.00 31.05 H new ATOM 0 HG12 VAL A 74 0.057 5.087 7.168 1.00 31.05 H new ATOM 0 HG13 VAL A 74 -0.154 5.196 8.932 1.00 31.05 H new ATOM 0 HG21 VAL A 74 -1.925 7.693 8.866 1.00 50.25 H new ATOM 0 HG22 VAL A 74 -0.553 7.492 9.981 1.00 50.25 H new ATOM 0 HG23 VAL A 74 -0.633 8.915 8.915 1.00 50.25 H new ATOM 1183 N ASP A 75 2.848 5.370 7.907 1.00 64.12 N ATOM 1184 CA ASP A 75 3.589 4.324 7.227 1.00 34.25 C ATOM 1185 C ASP A 75 2.697 3.115 7.007 1.00 40.01 C ATOM 1186 O ASP A 75 2.086 2.601 7.948 1.00 41.11 O ATOM 1187 CB ASP A 75 4.826 3.920 8.032 1.00 62.35 C ATOM 1188 CG ASP A 75 5.855 5.029 8.126 1.00 31.11 C ATOM 1189 OD1 ASP A 75 6.506 5.330 7.106 1.00 74.55 O ATOM 1190 OD2 ASP A 75 6.037 5.587 9.229 1.00 4.30 O ATOM 0 H ASP A 75 2.884 5.318 8.925 1.00 64.12 H new ATOM 0 HA ASP A 75 3.918 4.709 6.262 1.00 34.25 H new ATOM 0 HB2 ASP A 75 4.520 3.628 9.037 1.00 62.35 H new ATOM 0 HB3 ASP A 75 5.283 3.044 7.571 1.00 62.35 H new ATOM 1195 N ILE A 76 2.614 2.676 5.762 1.00 54.33 N ATOM 1196 CA ILE A 76 1.822 1.512 5.411 1.00 75.01 C ATOM 1197 C ILE A 76 2.669 0.263 5.616 1.00 70.22 C ATOM 1198 O ILE A 76 3.618 0.013 4.869 1.00 62.54 O ATOM 1199 CB ILE A 76 1.336 1.570 3.942 1.00 41.32 C ATOM 1200 CG1 ILE A 76 0.831 2.977 3.585 1.00 74.41 C ATOM 1201 CG2 ILE A 76 0.247 0.532 3.697 1.00 65.53 C ATOM 1202 CD1 ILE A 76 -0.299 3.483 4.454 1.00 75.34 C ATOM 0 H ILE A 76 3.090 3.113 4.973 1.00 54.33 H new ATOM 0 HA ILE A 76 0.940 1.490 6.051 1.00 75.01 H new ATOM 0 HB ILE A 76 2.184 1.341 3.296 1.00 41.32 H new ATOM 0 HG12 ILE A 76 1.665 3.676 3.654 1.00 74.41 H new ATOM 0 HG13 ILE A 76 0.500 2.977 2.546 1.00 74.41 H new ATOM 0 HG21 ILE A 76 -0.082 0.588 2.659 1.00 65.53 H new ATOM 0 HG22 ILE A 76 0.641 -0.464 3.900 1.00 65.53 H new ATOM 0 HG23 ILE A 76 -0.598 0.729 4.357 1.00 65.53 H new ATOM 0 HD11 ILE A 76 -0.589 4.482 4.128 1.00 75.34 H new ATOM 0 HD12 ILE A 76 -1.153 2.811 4.368 1.00 75.34 H new ATOM 0 HD13 ILE A 76 0.030 3.521 5.493 1.00 75.34 H new ATOM 1214 N ILE A 77 2.342 -0.502 6.641 1.00 33.51 N ATOM 1215 CA ILE A 77 3.147 -1.652 7.017 1.00 1.25 C ATOM 1216 C ILE A 77 2.608 -2.926 6.381 1.00 62.30 C ATOM 1217 O ILE A 77 1.413 -3.218 6.466 1.00 31.24 O ATOM 1218 CB ILE A 77 3.198 -1.818 8.552 1.00 65.23 C ATOM 1219 CG1 ILE A 77 3.716 -0.526 9.202 1.00 44.45 C ATOM 1220 CG2 ILE A 77 4.073 -3.003 8.938 1.00 4.11 C ATOM 1221 CD1 ILE A 77 3.727 -0.550 10.716 1.00 42.11 C ATOM 0 H ILE A 77 1.523 -0.348 7.230 1.00 33.51 H new ATOM 0 HA ILE A 77 4.158 -1.475 6.650 1.00 1.25 H new ATOM 0 HB ILE A 77 2.189 -2.013 8.916 1.00 65.23 H new ATOM 0 HG12 ILE A 77 4.728 -0.335 8.846 1.00 44.45 H new ATOM 0 HG13 ILE A 77 3.098 0.308 8.868 1.00 44.45 H new ATOM 0 HG21 ILE A 77 4.095 -3.101 10.023 1.00 4.11 H new ATOM 0 HG22 ILE A 77 3.666 -3.914 8.499 1.00 4.11 H new ATOM 0 HG23 ILE A 77 5.086 -2.843 8.568 1.00 4.11 H new ATOM 0 HD11 ILE A 77 4.107 0.400 11.092 1.00 42.11 H new ATOM 0 HD12 ILE A 77 2.713 -0.707 11.085 1.00 42.11 H new ATOM 0 HD13 ILE A 77 4.369 -1.360 11.062 1.00 42.11 H new ATOM 1233 N LEU A 78 3.498 -3.669 5.745 1.00 44.11 N ATOM 1234 CA LEU A 78 3.151 -4.931 5.114 1.00 31.50 C ATOM 1235 C LEU A 78 3.129 -6.037 6.163 1.00 50.45 C ATOM 1236 O LEU A 78 4.168 -6.416 6.698 1.00 64.22 O ATOM 1237 CB LEU A 78 4.167 -5.268 4.014 1.00 62.20 C ATOM 1238 CG LEU A 78 3.826 -6.480 3.145 1.00 31.45 C ATOM 1239 CD1 LEU A 78 2.643 -6.176 2.240 1.00 1.35 C ATOM 1240 CD2 LEU A 78 5.034 -6.900 2.323 1.00 54.30 C ATOM 0 H LEU A 78 4.481 -3.414 5.652 1.00 44.11 H new ATOM 0 HA LEU A 78 2.163 -4.846 4.662 1.00 31.50 H new ATOM 0 HB2 LEU A 78 4.275 -4.398 3.366 1.00 62.20 H new ATOM 0 HB3 LEU A 78 5.137 -5.440 4.481 1.00 62.20 H new ATOM 0 HG LEU A 78 3.550 -7.306 3.800 1.00 31.45 H new ATOM 0 HD11 LEU A 78 2.417 -7.051 1.630 1.00 1.35 H new ATOM 0 HD12 LEU A 78 1.775 -5.924 2.849 1.00 1.35 H new ATOM 0 HD13 LEU A 78 2.888 -5.335 1.591 1.00 1.35 H new ATOM 0 HD21 LEU A 78 4.775 -7.763 1.710 1.00 54.30 H new ATOM 0 HD22 LEU A 78 5.340 -6.076 1.678 1.00 54.30 H new ATOM 0 HD23 LEU A 78 5.855 -7.162 2.990 1.00 54.30 H new ATOM 1252 N LEU A 79 1.941 -6.541 6.459 1.00 32.04 N ATOM 1253 CA LEU A 79 1.771 -7.561 7.486 1.00 35.11 C ATOM 1254 C LEU A 79 1.900 -8.954 6.895 1.00 14.32 C ATOM 1255 O LEU A 79 2.321 -9.890 7.573 1.00 43.22 O ATOM 1256 CB LEU A 79 0.403 -7.432 8.157 1.00 61.30 C ATOM 1257 CG LEU A 79 0.149 -6.121 8.896 1.00 72.53 C ATOM 1258 CD1 LEU A 79 -1.268 -6.101 9.441 1.00 2.53 C ATOM 1259 CD2 LEU A 79 1.159 -5.935 10.022 1.00 71.43 C ATOM 0 H LEU A 79 1.075 -6.259 6.000 1.00 32.04 H new ATOM 0 HA LEU A 79 2.556 -7.410 8.228 1.00 35.11 H new ATOM 0 HB2 LEU A 79 -0.367 -7.554 7.396 1.00 61.30 H new ATOM 0 HB3 LEU A 79 0.286 -8.254 8.863 1.00 61.30 H new ATOM 0 HG LEU A 79 0.268 -5.295 8.195 1.00 72.53 H new ATOM 0 HD11 LEU A 79 -1.442 -5.162 9.967 1.00 2.53 H new ATOM 0 HD12 LEU A 79 -1.976 -6.192 8.617 1.00 2.53 H new ATOM 0 HD13 LEU A 79 -1.404 -6.934 10.130 1.00 2.53 H new ATOM 0 HD21 LEU A 79 0.961 -4.995 10.537 1.00 71.43 H new ATOM 0 HD22 LEU A 79 1.072 -6.761 10.728 1.00 71.43 H new ATOM 0 HD23 LEU A 79 2.167 -5.916 9.607 1.00 71.43 H new ATOM 1271 N GLN A 80 1.530 -9.088 5.635 1.00 62.23 N ATOM 1272 CA GLN A 80 1.518 -10.381 4.977 1.00 72.41 C ATOM 1273 C GLN A 80 2.286 -10.287 3.666 1.00 60.13 C ATOM 1274 O GLN A 80 2.068 -9.366 2.880 1.00 51.00 O ATOM 1275 CB GLN A 80 0.061 -10.810 4.749 1.00 20.42 C ATOM 1276 CG GLN A 80 -0.125 -12.257 4.319 1.00 31.13 C ATOM 1277 CD GLN A 80 -0.282 -12.421 2.822 1.00 22.33 C ATOM 1278 OE1 GLN A 80 0.690 -12.633 2.101 1.00 41.23 O ATOM 1279 NE2 GLN A 80 -1.515 -12.324 2.347 1.00 62.21 N ATOM 0 H GLN A 80 1.232 -8.312 5.044 1.00 62.23 H new ATOM 0 HA GLN A 80 2.005 -11.133 5.598 1.00 72.41 H new ATOM 0 HB2 GLN A 80 -0.498 -10.646 5.670 1.00 20.42 H new ATOM 0 HB3 GLN A 80 -0.378 -10.162 3.990 1.00 20.42 H new ATOM 0 HG2 GLN A 80 0.732 -12.841 4.654 1.00 31.13 H new ATOM 0 HG3 GLN A 80 -1.004 -12.667 4.817 1.00 31.13 H new ATOM 0 HE21 GLN A 80 -2.294 -12.147 2.982 1.00 62.21 H new ATOM 0 HE22 GLN A 80 -1.686 -12.426 1.347 1.00 62.21 H new ATOM 1288 N ASP A 81 3.182 -11.232 3.429 1.00 21.13 N ATOM 1289 CA ASP A 81 4.054 -11.163 2.263 1.00 65.44 C ATOM 1290 C ASP A 81 3.788 -12.306 1.297 1.00 4.14 C ATOM 1291 O ASP A 81 4.257 -13.429 1.491 1.00 10.53 O ATOM 1292 CB ASP A 81 5.522 -11.166 2.690 1.00 3.13 C ATOM 1293 CG ASP A 81 6.470 -11.101 1.509 1.00 31.11 C ATOM 1294 OD1 ASP A 81 6.204 -10.323 0.569 1.00 74.50 O ATOM 1295 OD2 ASP A 81 7.485 -11.830 1.516 1.00 60.30 O ATOM 0 H ASP A 81 3.325 -12.050 4.022 1.00 21.13 H new ATOM 0 HA ASP A 81 3.836 -10.229 1.746 1.00 65.44 H new ATOM 0 HB2 ASP A 81 5.707 -10.317 3.348 1.00 3.13 H new ATOM 0 HB3 ASP A 81 5.727 -12.067 3.267 1.00 3.13 H new