USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 819 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 94 SER OG : rot -149:sc= 1.32 USER MOD Set 1.2: A 97 ASN : amide:sc= 1.53 K(o=2.9,f=0.45!) USER MOD Set 2.1: A 62 CYS SG : rot -115:sc= -0.41 USER MOD Set 2.2: A 64 TYR OH : rot 165:sc= -0.423 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.0387 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.428 K(o=0.47,f=-5.9!) USER MOD Single : A 1 MET CE :methyl -174:sc= -0.3 (180deg=-0.362) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.283 (180deg=-0.31) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -20:sc= 1.12 USER MOD Single : A 17 SER OG : rot -92:sc= 1.15 USER MOD Single : A 22 ASN : amide:sc=-0.00308 K(o=-0.0031,f=-1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -55:sc= 1.31 USER MOD Single : A 44 SER OG : rot 180:sc= -0.765 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00115 X(o=-0.0011,f=-0.11) USER MOD Single : A 67 GLN : amide:sc= 0.598 K(o=0.6,f=-2.2) USER MOD Single : A 69 THR OG1 : rot -75:sc= 0.45 USER MOD Single : A 72 SER OG : rot 92:sc= 1.38 USER MOD Single : A 74 MET CE :methyl 164:sc= -0.0375 (180deg=-0.362) USER MOD Single : A 76 ASN : amide:sc= -0.0695 K(o=-0.07,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= -0.762 K(o=-0.76,f=-4.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.649 K(o=0.65,f=-7.1!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.15) USER MOD Single : A 102 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.16) USER MOD Single : A 103 SER OG : rot -33:sc= 1.23 USER MOD Single : A 106 THR OG1 : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.266 -1.607 -1.914 1.00 0.00 N ATOM 2 CA MET A 1 3.878 -1.187 -1.758 1.00 0.00 C ATOM 3 C MET A 1 3.019 -2.317 -1.207 1.00 0.00 C ATOM 4 O MET A 1 1.820 -2.387 -1.478 1.00 0.00 O ATOM 5 CB MET A 1 3.322 -0.697 -3.094 1.00 0.00 C ATOM 6 CG MET A 1 3.975 0.574 -3.619 1.00 0.00 C ATOM 7 SD MET A 1 3.729 1.986 -2.523 1.00 0.00 S ATOM 8 CE MET A 1 1.975 2.278 -2.737 1.00 0.00 C ATOM 0 H1 MET A 1 5.813 -0.840 -2.354 1.00 0.00 H new ATOM 0 H2 MET A 1 5.669 -1.829 -0.981 1.00 0.00 H new ATOM 0 H3 MET A 1 5.307 -2.452 -2.518 1.00 0.00 H new ATOM 0 HA MET A 1 3.851 -0.366 -1.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.444 -1.486 -3.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.251 -0.523 -2.986 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.043 0.402 -3.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.568 0.807 -4.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.690 3.187 -2.206 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.752 2.392 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.414 1.433 -2.337 1.00 0.00 H new ATOM 18 N ALA A 2 3.638 -3.202 -0.433 1.00 0.00 N ATOM 19 CA ALA A 2 2.944 -4.362 0.112 1.00 0.00 C ATOM 20 C ALA A 2 1.842 -3.942 1.076 1.00 0.00 C ATOM 21 O ALA A 2 2.114 -3.386 2.140 1.00 0.00 O ATOM 22 CB ALA A 2 3.929 -5.290 0.807 1.00 0.00 C ATOM 0 H ALA A 2 4.621 -3.137 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 2 2.481 -4.897 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.396 -6.152 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.678 -5.628 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.420 -4.756 1.620 1.00 0.00 H new ATOM 28 N GLY A 3 0.597 -4.211 0.698 1.00 0.00 N ATOM 29 CA GLY A 3 -0.546 -3.909 1.551 1.00 0.00 C ATOM 30 C GLY A 3 -0.949 -2.445 1.434 1.00 0.00 C ATOM 31 O GLY A 3 -1.747 -1.945 2.226 1.00 0.00 O ATOM 0 H GLY A 3 0.354 -4.639 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.388 -4.544 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.300 -4.140 2.588 1.00 0.00 H new ATOM 35 N LEU A 4 -0.392 -1.761 0.440 1.00 0.00 N ATOM 36 CA LEU A 4 -0.673 -0.345 0.232 1.00 0.00 C ATOM 37 C LEU A 4 -1.397 -0.115 -1.088 1.00 0.00 C ATOM 38 O LEU A 4 -1.216 -0.868 -2.045 1.00 0.00 O ATOM 39 CB LEU A 4 0.631 0.463 0.256 1.00 0.00 C ATOM 40 CG LEU A 4 1.457 0.356 1.544 1.00 0.00 C ATOM 41 CD1 LEU A 4 2.752 1.141 1.384 1.00 0.00 C ATOM 42 CD2 LEU A 4 0.640 0.881 2.716 1.00 0.00 C ATOM 0 H LEU A 4 0.257 -2.165 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.321 -0.010 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.252 0.140 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.390 1.512 0.087 1.00 0.00 H new ATOM 0 HG LEU A 4 1.709 -0.686 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.339 1.065 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.324 0.733 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.521 2.188 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.227 0.805 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.378 1.924 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.270 0.290 2.818 1.00 0.00 H new ATOM 54 N THR A 5 -2.216 0.930 -1.134 1.00 0.00 N ATOM 55 CA THR A 5 -2.957 1.270 -2.342 1.00 0.00 C ATOM 56 C THR A 5 -2.054 1.932 -3.375 1.00 0.00 C ATOM 57 O THR A 5 -1.291 2.843 -3.053 1.00 0.00 O ATOM 58 CB THR A 5 -4.143 2.199 -2.022 1.00 0.00 C ATOM 59 OG1 THR A 5 -5.041 1.538 -1.121 1.00 0.00 O ATOM 60 CG2 THR A 5 -4.890 2.569 -3.295 1.00 0.00 C ATOM 0 H THR A 5 -2.383 1.557 -0.347 1.00 0.00 H new ATOM 0 HA THR A 5 -3.341 0.338 -2.757 1.00 0.00 H new ATOM 0 HB THR A 5 -3.758 3.109 -1.561 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.794 2.131 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.725 3.226 -3.049 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.213 3.082 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.268 1.664 -3.771 1.00 0.00 H new ATOM 68 N VAL A 6 -2.144 1.467 -4.616 1.00 0.00 N ATOM 69 CA VAL A 6 -1.334 2.013 -5.699 1.00 0.00 C ATOM 70 C VAL A 6 -2.175 2.258 -6.946 1.00 0.00 C ATOM 71 O VAL A 6 -3.051 1.462 -7.282 1.00 0.00 O ATOM 72 CB VAL A 6 -0.181 1.051 -6.042 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.728 -0.278 -6.543 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.731 1.686 -7.081 1.00 0.00 C ATOM 0 H VAL A 6 -2.770 0.713 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.926 2.965 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 6 0.400 0.858 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.100 -0.946 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.349 -0.731 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.328 -0.111 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.544 1.000 -7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.160 1.899 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.143 2.614 -6.685 1.00 0.00 H new ATOM 84 N ARG A 7 -1.903 3.366 -7.628 1.00 0.00 N ATOM 85 CA ARG A 7 -2.707 3.777 -8.773 1.00 0.00 C ATOM 86 C ARG A 7 -2.453 2.878 -9.976 1.00 0.00 C ATOM 87 O ARG A 7 -3.379 2.528 -10.707 1.00 0.00 O ATOM 88 CB ARG A 7 -2.404 5.220 -9.149 1.00 0.00 C ATOM 89 CG ARG A 7 -2.896 6.257 -8.152 1.00 0.00 C ATOM 90 CD ARG A 7 -2.518 7.634 -8.562 1.00 0.00 C ATOM 91 NE ARG A 7 -2.986 8.630 -7.611 1.00 0.00 N ATOM 92 CZ ARG A 7 -2.685 9.942 -7.667 1.00 0.00 C ATOM 93 NH1 ARG A 7 -1.917 10.400 -8.631 1.00 0.00 N ATOM 94 NH2 ARG A 7 -3.161 10.769 -6.752 1.00 0.00 N ATOM 0 H ARG A 7 -1.131 3.996 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.755 3.690 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.326 5.331 -9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.853 5.429 -10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.980 6.189 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.479 6.043 -7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.434 7.701 -8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.935 7.847 -9.546 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.584 8.313 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.549 9.762 -9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.689 11.393 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.756 10.414 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.933 11.762 -6.794 1.00 0.00 H new ATOM 108 N ASP A 8 -1.193 2.507 -10.175 1.00 0.00 N ATOM 109 CA ASP A 8 -0.806 1.692 -11.321 1.00 0.00 C ATOM 110 C ASP A 8 -1.376 0.283 -11.212 1.00 0.00 C ATOM 111 O ASP A 8 -1.007 -0.479 -10.319 1.00 0.00 O ATOM 112 CB ASP A 8 0.718 1.624 -11.441 1.00 0.00 C ATOM 113 CG ASP A 8 1.182 0.915 -12.706 1.00 0.00 C ATOM 114 OD1 ASP A 8 0.361 0.324 -13.367 1.00 0.00 O ATOM 115 OD2 ASP A 8 2.352 0.970 -12.999 1.00 0.00 O ATOM 0 H ASP A 8 -0.421 2.758 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.215 2.163 -12.215 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.124 2.636 -11.428 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.123 1.107 -10.571 1.00 0.00 H new ATOM 120 N PRO A 9 -2.278 -0.057 -12.127 1.00 0.00 N ATOM 121 CA PRO A 9 -2.895 -1.378 -12.140 1.00 0.00 C ATOM 122 C PRO A 9 -1.843 -2.477 -12.205 1.00 0.00 C ATOM 123 O PRO A 9 -2.003 -3.540 -11.605 1.00 0.00 O ATOM 124 CB PRO A 9 -3.755 -1.344 -13.407 1.00 0.00 C ATOM 125 CG PRO A 9 -4.085 0.099 -13.586 1.00 0.00 C ATOM 126 CD PRO A 9 -2.827 0.823 -13.188 1.00 0.00 C ATOM 0 HA PRO A 9 -3.472 -1.594 -11.241 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.213 -1.738 -14.267 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.656 -1.947 -13.293 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.360 0.319 -14.618 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.928 0.394 -12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.137 0.930 -14.025 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.035 1.826 -12.817 1.00 0.00 H new ATOM 134 N ALA A 10 -0.765 -2.215 -12.937 1.00 0.00 N ATOM 135 CA ALA A 10 0.285 -3.207 -13.137 1.00 0.00 C ATOM 136 C ALA A 10 0.970 -3.558 -11.823 1.00 0.00 C ATOM 137 O ALA A 10 1.239 -4.726 -11.545 1.00 0.00 O ATOM 138 CB ALA A 10 1.304 -2.702 -14.148 1.00 0.00 C ATOM 0 H ALA A 10 -0.596 -1.323 -13.402 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.178 -4.114 -13.526 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.082 -3.453 -14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.809 -2.512 -15.100 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.753 -1.779 -13.782 1.00 0.00 H new ATOM 144 N VAL A 11 1.250 -2.539 -11.018 1.00 0.00 N ATOM 145 CA VAL A 11 1.855 -2.742 -9.707 1.00 0.00 C ATOM 146 C VAL A 11 0.898 -3.460 -8.764 1.00 0.00 C ATOM 147 O VAL A 11 1.293 -4.376 -8.042 1.00 0.00 O ATOM 148 CB VAL A 11 2.261 -1.390 -9.090 1.00 0.00 C ATOM 149 CG1 VAL A 11 2.738 -1.580 -7.658 1.00 0.00 C ATOM 150 CG2 VAL A 11 3.343 -0.738 -9.937 1.00 0.00 C ATOM 0 H VAL A 11 1.067 -1.563 -11.251 1.00 0.00 H new ATOM 0 HA VAL A 11 2.741 -3.362 -9.844 1.00 0.00 H new ATOM 0 HB VAL A 11 1.391 -0.734 -9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.021 -0.615 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.936 -2.014 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.600 -2.247 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.625 0.217 -9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.215 -1.390 -9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.965 -0.573 -10.946 1.00 0.00 H new ATOM 160 N ASP A 12 -0.362 -3.040 -8.776 1.00 0.00 N ATOM 161 CA ASP A 12 -1.386 -3.666 -7.948 1.00 0.00 C ATOM 162 C ASP A 12 -1.505 -5.154 -8.249 1.00 0.00 C ATOM 163 O ASP A 12 -1.653 -5.972 -7.341 1.00 0.00 O ATOM 164 CB ASP A 12 -2.740 -2.986 -8.163 1.00 0.00 C ATOM 165 CG ASP A 12 -3.817 -3.496 -7.215 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.624 -3.406 -6.025 1.00 0.00 O ATOM 167 OD2 ASP A 12 -4.822 -3.970 -7.689 1.00 0.00 O ATOM 0 H ASP A 12 -0.699 -2.268 -9.351 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.086 -3.547 -6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.626 -1.910 -8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.063 -3.147 -9.192 1.00 0.00 H new ATOM 172 N ARG A 13 -1.439 -5.500 -9.530 1.00 0.00 N ATOM 173 CA ARG A 13 -1.504 -6.895 -9.952 1.00 0.00 C ATOM 174 C ARG A 13 -0.301 -7.680 -9.444 1.00 0.00 C ATOM 175 O ARG A 13 -0.428 -8.837 -9.042 1.00 0.00 O ATOM 176 CB ARG A 13 -1.566 -6.993 -11.469 1.00 0.00 C ATOM 177 CG ARG A 13 -1.770 -8.399 -12.011 1.00 0.00 C ATOM 178 CD ARG A 13 -1.997 -8.394 -13.479 1.00 0.00 C ATOM 179 NE ARG A 13 -2.255 -9.730 -13.992 1.00 0.00 N ATOM 180 CZ ARG A 13 -2.533 -10.014 -15.279 1.00 0.00 C ATOM 181 NH1 ARG A 13 -2.584 -9.048 -16.170 1.00 0.00 N ATOM 182 NH2 ARG A 13 -2.754 -11.264 -15.647 1.00 0.00 N ATOM 0 H ARG A 13 -1.340 -4.833 -10.295 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.410 -7.325 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.378 -6.360 -11.827 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.642 -6.590 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.896 -9.008 -11.780 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.622 -8.861 -11.513 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.841 -7.746 -13.714 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.124 -7.975 -13.980 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.223 -10.506 -13.331 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.413 -8.083 -15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.795 -9.264 -17.144 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.714 -12.014 -14.956 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.965 -11.479 -16.622 1.00 0.00 H new ATOM 196 N SER A 14 0.866 -7.045 -9.465 1.00 0.00 N ATOM 197 CA SER A 14 2.083 -7.661 -8.950 1.00 0.00 C ATOM 198 C SER A 14 2.051 -7.757 -7.430 1.00 0.00 C ATOM 199 O SER A 14 2.761 -8.568 -6.835 1.00 0.00 O ATOM 200 CB SER A 14 3.297 -6.867 -9.390 1.00 0.00 C ATOM 201 OG SER A 14 3.355 -5.632 -8.730 1.00 0.00 O ATOM 0 H SER A 14 0.995 -6.103 -9.834 1.00 0.00 H new ATOM 0 HA SER A 14 2.146 -8.671 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.203 -7.437 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.260 -6.706 -10.467 1.00 0.00 H new ATOM 0 HG SER A 14 2.467 -5.404 -8.384 1.00 0.00 H new ATOM 207 N LEU A 15 1.223 -6.925 -6.807 1.00 0.00 N ATOM 208 CA LEU A 15 0.994 -7.007 -5.369 1.00 0.00 C ATOM 209 C LEU A 15 -0.034 -8.080 -5.036 1.00 0.00 C ATOM 210 O LEU A 15 0.008 -8.682 -3.963 1.00 0.00 O ATOM 211 CB LEU A 15 0.521 -5.651 -4.830 1.00 0.00 C ATOM 212 CG LEU A 15 1.559 -4.522 -4.865 1.00 0.00 C ATOM 213 CD1 LEU A 15 0.882 -3.199 -4.533 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.674 -4.828 -3.877 1.00 0.00 C ATOM 0 H LEU A 15 0.699 -6.186 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 15 1.938 -7.276 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.350 -5.336 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.192 -5.785 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 15 1.993 -4.445 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.619 -2.397 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.100 -2.996 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.441 -3.256 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.412 -4.026 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.258 -4.908 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.152 -5.769 -4.148 1.00 0.00 H new ATOM 226 N ARG A 16 -0.958 -8.315 -5.961 1.00 0.00 N ATOM 227 CA ARG A 16 -2.003 -9.313 -5.764 1.00 0.00 C ATOM 228 C ARG A 16 -1.534 -10.695 -6.198 1.00 0.00 C ATOM 229 O ARG A 16 -2.294 -11.663 -6.151 1.00 0.00 O ATOM 230 CB ARG A 16 -3.255 -8.938 -6.544 1.00 0.00 C ATOM 231 CG ARG A 16 -4.011 -7.736 -6.000 1.00 0.00 C ATOM 232 CD ARG A 16 -5.179 -7.391 -6.851 1.00 0.00 C ATOM 233 NE ARG A 16 -5.847 -6.184 -6.392 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.951 -6.167 -5.620 1.00 0.00 C ATOM 235 NH1 ARG A 16 -7.498 -7.297 -5.230 1.00 0.00 N ATOM 236 NH2 ARG A 16 -7.484 -5.014 -5.254 1.00 0.00 N ATOM 0 H ARG A 16 -1.005 -7.827 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.234 -9.339 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.975 -8.735 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.927 -9.796 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.349 -7.947 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.339 -6.880 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.850 -7.254 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.886 -8.220 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.452 -5.287 -6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.087 -8.187 -5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.334 -7.284 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.059 -4.137 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.320 -5.001 -4.670 1.00 0.00 H new ATOM 250 N SER A 17 -0.277 -10.782 -6.621 1.00 0.00 N ATOM 251 CA SER A 17 0.271 -12.028 -7.143 1.00 0.00 C ATOM 252 C SER A 17 1.662 -12.295 -6.583 1.00 0.00 C ATOM 253 O SER A 17 2.297 -11.404 -6.019 1.00 0.00 O ATOM 254 CB SER A 17 0.327 -11.980 -8.658 1.00 0.00 C ATOM 255 OG SER A 17 1.196 -10.971 -9.096 1.00 0.00 O ATOM 0 H SER A 17 0.382 -10.003 -6.612 1.00 0.00 H new ATOM 0 HA SER A 17 -0.385 -12.840 -6.831 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.659 -12.944 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.672 -11.803 -9.057 1.00 0.00 H new ATOM 0 HG SER A 17 0.692 -10.141 -9.231 1.00 0.00 H new ATOM 261 N VAL A 18 2.131 -13.528 -6.740 1.00 0.00 N ATOM 262 CA VAL A 18 3.434 -13.925 -6.220 1.00 0.00 C ATOM 263 C VAL A 18 4.236 -14.687 -7.267 1.00 0.00 C ATOM 264 O VAL A 18 3.678 -15.210 -8.231 1.00 0.00 O ATOM 265 CB VAL A 18 3.264 -14.805 -4.967 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.514 -14.046 -3.882 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.534 -16.088 -5.331 1.00 0.00 C ATOM 0 H VAL A 18 1.627 -14.271 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 18 3.977 -13.017 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 18 4.249 -15.063 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.402 -14.682 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.073 -13.150 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.529 -13.762 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.417 -16.705 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.551 -15.845 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.109 -16.634 -6.078 1.00 0.00 H new ATOM 277 N PHE A 19 5.549 -14.747 -7.070 1.00 0.00 N ATOM 278 CA PHE A 19 6.401 -15.636 -7.852 1.00 0.00 C ATOM 279 C PHE A 19 6.794 -16.869 -7.049 1.00 0.00 C ATOM 280 O PHE A 19 7.183 -16.766 -5.886 1.00 0.00 O ATOM 281 CB PHE A 19 7.660 -14.899 -8.314 1.00 0.00 C ATOM 282 CG PHE A 19 7.392 -13.812 -9.316 1.00 0.00 C ATOM 283 CD1 PHE A 19 8.082 -12.610 -9.257 1.00 0.00 C ATOM 284 CD2 PHE A 19 6.451 -13.988 -10.318 1.00 0.00 C ATOM 285 CE1 PHE A 19 7.837 -11.609 -10.178 1.00 0.00 C ATOM 286 CE2 PHE A 19 6.204 -12.990 -11.241 1.00 0.00 C ATOM 287 CZ PHE A 19 6.898 -11.799 -11.170 1.00 0.00 C ATOM 0 H PHE A 19 6.047 -14.190 -6.375 1.00 0.00 H new ATOM 0 HA PHE A 19 5.832 -15.958 -8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.156 -14.466 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.352 -15.619 -8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.819 -12.455 -8.483 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.904 -14.917 -10.378 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.381 -10.678 -10.121 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.469 -13.142 -12.017 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.706 -11.017 -11.890 1.00 0.00 H new ATOM 297 N VAL A 20 6.690 -18.035 -7.677 1.00 0.00 N ATOM 298 CA VAL A 20 6.898 -19.300 -6.983 1.00 0.00 C ATOM 299 C VAL A 20 8.091 -20.054 -7.556 1.00 0.00 C ATOM 300 O VAL A 20 8.234 -20.177 -8.772 1.00 0.00 O ATOM 301 CB VAL A 20 5.638 -20.181 -7.090 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.838 -21.489 -6.338 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.432 -19.427 -6.550 1.00 0.00 C ATOM 0 H VAL A 20 6.463 -18.130 -8.667 1.00 0.00 H new ATOM 0 HA VAL A 20 7.099 -19.074 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 20 5.460 -20.418 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.939 -22.099 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.684 -22.028 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.034 -21.278 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.545 -20.055 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.602 -19.169 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.283 -18.516 -7.129 1.00 0.00 H new ATOM 313 N GLY A 21 8.946 -20.558 -6.672 1.00 0.00 N ATOM 314 CA GLY A 21 10.110 -21.331 -7.088 1.00 0.00 C ATOM 315 C GLY A 21 10.261 -22.594 -6.249 1.00 0.00 C ATOM 316 O GLY A 21 9.469 -22.846 -5.342 1.00 0.00 O ATOM 0 H GLY A 21 8.854 -20.445 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.015 -21.599 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.008 -20.720 -6.995 1.00 0.00 H new ATOM 320 N ASN A 22 11.283 -23.385 -6.559 1.00 0.00 N ATOM 321 CA ASN A 22 11.525 -24.636 -5.851 1.00 0.00 C ATOM 322 C ASN A 22 10.331 -25.575 -5.969 1.00 0.00 C ATOM 323 O ASN A 22 9.976 -26.266 -5.014 1.00 0.00 O ATOM 324 CB ASN A 22 11.854 -24.371 -4.394 1.00 0.00 C ATOM 325 CG ASN A 22 13.118 -23.575 -4.222 1.00 0.00 C ATOM 326 OD1 ASN A 22 14.000 -23.594 -5.088 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.223 -22.875 -3.121 1.00 0.00 N ATOM 0 H ASN A 22 11.957 -23.181 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 22 12.382 -25.123 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.026 -23.835 -3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.953 -25.321 -3.869 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.058 -22.315 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.469 -22.889 -2.434 1.00 0.00 H new ATOM 334 N ILE A 23 9.715 -25.596 -7.146 1.00 0.00 N ATOM 335 CA ILE A 23 8.555 -26.445 -7.389 1.00 0.00 C ATOM 336 C ILE A 23 8.976 -27.854 -7.784 1.00 0.00 C ATOM 337 O ILE A 23 9.798 -28.038 -8.681 1.00 0.00 O ATOM 338 CB ILE A 23 7.659 -25.848 -8.490 1.00 0.00 C ATOM 339 CG1 ILE A 23 7.095 -24.496 -8.045 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.532 -26.809 -8.837 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.404 -23.730 -9.150 1.00 0.00 C ATOM 0 H ILE A 23 10.000 -25.034 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 23 7.990 -26.496 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 23 8.265 -25.691 -9.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.388 -24.658 -7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.907 -23.888 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.908 -26.372 -9.617 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.952 -27.749 -9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.927 -26.995 -7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.031 -22.784 -8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.112 -23.536 -9.956 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.570 -24.318 -9.534 1.00 0.00 H new ATOM 353 N PRO A 24 8.407 -28.847 -7.109 1.00 0.00 N ATOM 354 CA PRO A 24 8.677 -30.244 -7.428 1.00 0.00 C ATOM 355 C PRO A 24 8.077 -30.627 -8.774 1.00 0.00 C ATOM 356 O PRO A 24 6.940 -30.269 -9.083 1.00 0.00 O ATOM 357 CB PRO A 24 8.006 -30.997 -6.275 1.00 0.00 C ATOM 358 CG PRO A 24 6.904 -30.092 -5.840 1.00 0.00 C ATOM 359 CD PRO A 24 7.480 -28.708 -5.976 1.00 0.00 C ATOM 0 HA PRO A 24 9.740 -30.469 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.622 -31.964 -6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.707 -31.189 -5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.018 -30.217 -6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.603 -30.298 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.706 -27.966 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.996 -28.394 -5.068 1.00 0.00 H new ATOM 367 N TYR A 25 8.847 -31.358 -9.573 1.00 0.00 N ATOM 368 CA TYR A 25 8.445 -31.683 -10.937 1.00 0.00 C ATOM 369 C TYR A 25 7.292 -32.678 -10.949 1.00 0.00 C ATOM 370 O TYR A 25 6.618 -32.850 -11.965 1.00 0.00 O ATOM 371 CB TYR A 25 9.633 -32.238 -11.726 1.00 0.00 C ATOM 372 CG TYR A 25 10.071 -33.616 -11.282 1.00 0.00 C ATOM 373 CD1 TYR A 25 9.508 -34.744 -11.862 1.00 0.00 C ATOM 374 CD2 TYR A 25 11.035 -33.752 -10.294 1.00 0.00 C ATOM 375 CE1 TYR A 25 9.909 -36.002 -11.456 1.00 0.00 C ATOM 376 CE2 TYR A 25 11.436 -35.010 -9.888 1.00 0.00 C ATOM 377 CZ TYR A 25 10.876 -36.132 -10.465 1.00 0.00 C ATOM 378 OH TYR A 25 11.275 -37.385 -10.061 1.00 0.00 O ATOM 0 H TYR A 25 9.754 -31.737 -9.299 1.00 0.00 H new ATOM 0 HA TYR A 25 8.103 -30.764 -11.414 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.370 -32.274 -12.783 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.474 -31.551 -11.630 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.757 -34.638 -12.631 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.472 -32.874 -9.842 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.473 -36.881 -11.907 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.187 -35.116 -9.119 1.00 0.00 H new ATOM 0 HH TYR A 25 11.957 -37.302 -9.363 1.00 0.00 H new ATOM 388 N GLU A 26 7.068 -33.331 -9.814 1.00 0.00 N ATOM 389 CA GLU A 26 6.014 -34.333 -9.701 1.00 0.00 C ATOM 390 C GLU A 26 4.656 -33.680 -9.477 1.00 0.00 C ATOM 391 O GLU A 26 3.617 -34.323 -9.622 1.00 0.00 O ATOM 392 CB GLU A 26 6.320 -35.302 -8.556 1.00 0.00 C ATOM 393 CG GLU A 26 7.549 -36.172 -8.781 1.00 0.00 C ATOM 394 CD GLU A 26 7.793 -37.140 -7.656 1.00 0.00 C ATOM 395 OE1 GLU A 26 7.062 -37.102 -6.696 1.00 0.00 O ATOM 396 OE2 GLU A 26 8.713 -37.917 -7.758 1.00 0.00 O ATOM 0 H GLU A 26 7.603 -33.184 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 26 5.978 -34.887 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.458 -34.730 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.456 -35.948 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.430 -36.727 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.424 -35.533 -8.900 1.00 0.00 H new ATOM 403 N ALA A 27 4.672 -32.400 -9.123 1.00 0.00 N ATOM 404 CA ALA A 27 3.444 -31.672 -8.826 1.00 0.00 C ATOM 405 C ALA A 27 2.876 -31.016 -10.078 1.00 0.00 C ATOM 406 O ALA A 27 3.608 -30.411 -10.860 1.00 0.00 O ATOM 407 CB ALA A 27 3.695 -30.627 -7.749 1.00 0.00 C ATOM 0 H ALA A 27 5.523 -31.844 -9.035 1.00 0.00 H new ATOM 0 HA ALA A 27 2.709 -32.388 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.769 -30.092 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.045 -31.117 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.451 -29.922 -8.095 1.00 0.00 H new ATOM 413 N THR A 28 1.565 -31.139 -10.261 1.00 0.00 N ATOM 414 CA THR A 28 0.879 -30.468 -11.359 1.00 0.00 C ATOM 415 C THR A 28 0.393 -29.086 -10.941 1.00 0.00 C ATOM 416 O THR A 28 0.437 -28.731 -9.763 1.00 0.00 O ATOM 417 CB THR A 28 -0.312 -31.305 -11.862 1.00 0.00 C ATOM 418 OG1 THR A 28 -1.315 -31.376 -10.841 1.00 0.00 O ATOM 419 CG2 THR A 28 0.140 -32.711 -12.223 1.00 0.00 C ATOM 0 H THR A 28 0.956 -31.698 -9.663 1.00 0.00 H new ATOM 0 HA THR A 28 1.599 -30.356 -12.170 1.00 0.00 H new ATOM 0 HB THR A 28 -0.723 -30.827 -12.751 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.073 -31.907 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.714 -33.288 -12.576 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.894 -32.660 -13.009 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.565 -33.194 -11.343 1.00 0.00 H new ATOM 427 N GLU A 29 -0.070 -28.308 -11.914 1.00 0.00 N ATOM 428 CA GLU A 29 -0.600 -26.977 -11.644 1.00 0.00 C ATOM 429 C GLU A 29 -1.824 -27.044 -10.740 1.00 0.00 C ATOM 430 O GLU A 29 -2.020 -26.186 -9.880 1.00 0.00 O ATOM 431 CB GLU A 29 -0.959 -26.270 -12.953 1.00 0.00 C ATOM 432 CG GLU A 29 0.241 -25.845 -13.788 1.00 0.00 C ATOM 433 CD GLU A 29 -0.149 -25.242 -15.108 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.171 -25.616 -15.632 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.575 -24.405 -15.594 1.00 0.00 O ATOM 0 H GLU A 29 -0.089 -28.577 -12.898 1.00 0.00 H new ATOM 0 HA GLU A 29 0.175 -26.408 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.585 -26.933 -13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.557 -25.388 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.832 -25.123 -13.225 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.880 -26.711 -13.964 1.00 0.00 H new ATOM 442 N GLU A 30 -2.645 -28.069 -10.940 1.00 0.00 N ATOM 443 CA GLU A 30 -3.851 -28.252 -10.141 1.00 0.00 C ATOM 444 C GLU A 30 -3.509 -28.624 -8.704 1.00 0.00 C ATOM 445 O GLU A 30 -4.123 -28.126 -7.760 1.00 0.00 O ATOM 446 CB GLU A 30 -4.742 -29.331 -10.759 1.00 0.00 C ATOM 447 CG GLU A 30 -5.383 -28.936 -12.082 1.00 0.00 C ATOM 448 CD GLU A 30 -6.211 -30.037 -12.683 1.00 0.00 C ATOM 449 OE1 GLU A 30 -6.179 -31.128 -12.167 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.878 -29.787 -13.659 1.00 0.00 O ATOM 0 H GLU A 30 -2.497 -28.787 -11.650 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.390 -27.305 -10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.148 -30.232 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.529 -29.585 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.011 -28.059 -11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.602 -28.649 -12.787 1.00 0.00 H new ATOM 457 N GLN A 31 -2.524 -29.502 -8.544 1.00 0.00 N ATOM 458 CA GLN A 31 -2.078 -29.919 -7.220 1.00 0.00 C ATOM 459 C GLN A 31 -1.462 -28.756 -6.454 1.00 0.00 C ATOM 460 O GLN A 31 -1.704 -28.590 -5.258 1.00 0.00 O ATOM 461 CB GLN A 31 -1.068 -31.065 -7.332 1.00 0.00 C ATOM 462 CG GLN A 31 -1.672 -32.387 -7.774 1.00 0.00 C ATOM 463 CD GLN A 31 -0.623 -33.461 -7.983 1.00 0.00 C ATOM 464 OE1 GLN A 31 0.433 -33.212 -8.572 1.00 0.00 O ATOM 465 NE2 GLN A 31 -0.907 -34.666 -7.502 1.00 0.00 N ATOM 0 H GLN A 31 -2.019 -29.939 -9.315 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.952 -30.267 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.289 -30.780 -8.039 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.585 -31.204 -6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.389 -32.724 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.226 -32.238 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.792 -34.828 -7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.240 -35.430 -7.613 1.00 0.00 H new ATOM 474 N LEU A 32 -0.665 -27.952 -7.149 1.00 0.00 N ATOM 475 CA LEU A 32 -0.067 -26.763 -6.553 1.00 0.00 C ATOM 476 C LEU A 32 -1.131 -25.734 -6.191 1.00 0.00 C ATOM 477 O LEU A 32 -1.063 -25.102 -5.137 1.00 0.00 O ATOM 478 CB LEU A 32 0.948 -26.139 -7.519 1.00 0.00 C ATOM 479 CG LEU A 32 2.237 -26.942 -7.738 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.981 -26.388 -8.946 1.00 0.00 C ATOM 481 CD2 LEU A 32 3.099 -26.871 -6.486 1.00 0.00 C ATOM 0 H LEU A 32 -0.418 -28.102 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 32 0.443 -27.067 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.463 -25.995 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.216 -25.150 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 32 1.996 -27.987 -7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.897 -26.958 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.349 -26.467 -9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.230 -25.341 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.015 -27.442 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.351 -25.831 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.550 -27.289 -5.642 1.00 0.00 H new ATOM 493 N LYS A 33 -2.113 -25.571 -7.071 1.00 0.00 N ATOM 494 CA LYS A 33 -3.230 -24.669 -6.814 1.00 0.00 C ATOM 495 C LYS A 33 -3.970 -25.058 -5.540 1.00 0.00 C ATOM 496 O LYS A 33 -4.314 -24.202 -4.725 1.00 0.00 O ATOM 497 CB LYS A 33 -4.194 -24.660 -8.001 1.00 0.00 C ATOM 498 CG LYS A 33 -5.381 -23.719 -7.839 1.00 0.00 C ATOM 499 CD LYS A 33 -6.268 -23.732 -9.075 1.00 0.00 C ATOM 500 CE LYS A 33 -7.477 -22.824 -8.899 1.00 0.00 C ATOM 501 NZ LYS A 33 -8.377 -22.861 -10.083 1.00 0.00 N ATOM 0 H LYS A 33 -2.158 -26.052 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.825 -23.666 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.643 -24.380 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.567 -25.672 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.965 -24.013 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.023 -22.706 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.692 -23.409 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.602 -24.750 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.032 -23.127 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.141 -21.801 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.188 -22.229 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.855 -22.547 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.719 -23.832 -10.229 1.00 0.00 H new ATOM 515 N ASP A 34 -4.212 -26.353 -5.374 1.00 0.00 N ATOM 516 CA ASP A 34 -4.867 -26.863 -4.176 1.00 0.00 C ATOM 517 C ASP A 34 -4.094 -26.481 -2.920 1.00 0.00 C ATOM 518 O ASP A 34 -4.678 -26.052 -1.926 1.00 0.00 O ATOM 519 CB ASP A 34 -5.012 -28.385 -4.250 1.00 0.00 C ATOM 520 CG ASP A 34 -6.077 -28.831 -5.243 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.868 -28.011 -5.645 1.00 0.00 O ATOM 522 OD2 ASP A 34 -6.089 -29.988 -5.591 1.00 0.00 O ATOM 0 H ASP A 34 -3.964 -27.070 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.857 -26.411 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.054 -28.823 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.261 -28.770 -3.261 1.00 0.00 H new ATOM 527 N ILE A 35 -2.775 -26.640 -2.973 1.00 0.00 N ATOM 528 CA ILE A 35 -1.909 -26.215 -1.880 1.00 0.00 C ATOM 529 C ILE A 35 -1.995 -24.709 -1.663 1.00 0.00 C ATOM 530 O ILE A 35 -2.014 -24.236 -0.527 1.00 0.00 O ATOM 531 CB ILE A 35 -0.446 -26.612 -2.153 1.00 0.00 C ATOM 532 CG1 ILE A 35 -0.302 -28.136 -2.175 1.00 0.00 C ATOM 533 CG2 ILE A 35 0.474 -26.002 -1.107 1.00 0.00 C ATOM 534 CD1 ILE A 35 -0.689 -28.804 -0.875 1.00 0.00 C ATOM 0 H ILE A 35 -2.283 -27.060 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.253 -26.720 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.158 -26.225 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.920 -28.539 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.731 -28.391 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.504 -26.292 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.390 -24.916 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.188 -26.360 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.561 -29.882 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.054 -28.431 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.731 -28.581 -0.648 1.00 0.00 H new ATOM 546 N PHE A 36 -2.046 -23.961 -2.760 1.00 0.00 N ATOM 547 CA PHE A 36 -2.011 -22.504 -2.696 1.00 0.00 C ATOM 548 C PHE A 36 -3.330 -21.945 -2.178 1.00 0.00 C ATOM 549 O PHE A 36 -3.377 -20.840 -1.638 1.00 0.00 O ATOM 550 CB PHE A 36 -1.708 -21.916 -4.074 1.00 0.00 C ATOM 551 CG PHE A 36 -0.333 -22.243 -4.584 1.00 0.00 C ATOM 552 CD1 PHE A 36 0.016 -21.977 -5.900 1.00 0.00 C ATOM 553 CD2 PHE A 36 0.613 -22.820 -3.750 1.00 0.00 C ATOM 554 CE1 PHE A 36 1.281 -22.278 -6.370 1.00 0.00 C ATOM 555 CE2 PHE A 36 1.877 -23.121 -4.217 1.00 0.00 C ATOM 556 CZ PHE A 36 2.211 -22.850 -5.528 1.00 0.00 C ATOM 0 H PHE A 36 -2.112 -24.340 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.219 -22.221 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.447 -22.284 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.821 -20.833 -4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.708 -21.530 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.358 -23.036 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.541 -22.065 -7.396 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.604 -23.569 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.199 -23.086 -5.894 1.00 0.00 H new ATOM 566 N SER A 37 -4.400 -22.714 -2.346 1.00 0.00 N ATOM 567 CA SER A 37 -5.725 -22.290 -1.908 1.00 0.00 C ATOM 568 C SER A 37 -5.807 -22.222 -0.389 1.00 0.00 C ATOM 569 O SER A 37 -6.705 -21.588 0.166 1.00 0.00 O ATOM 570 CB SER A 37 -6.779 -23.242 -2.438 1.00 0.00 C ATOM 571 OG SER A 37 -6.751 -24.460 -1.745 1.00 0.00 O ATOM 0 H SER A 37 -4.376 -23.635 -2.783 1.00 0.00 H new ATOM 0 HA SER A 37 -5.907 -21.291 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.765 -22.788 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.612 -23.420 -3.500 1.00 0.00 H new ATOM 0 HG SER A 37 -5.848 -24.838 -1.784 1.00 0.00 H new ATOM 577 N GLU A 38 -4.865 -22.878 0.280 1.00 0.00 N ATOM 578 CA GLU A 38 -4.872 -22.957 1.735 1.00 0.00 C ATOM 579 C GLU A 38 -4.645 -21.587 2.362 1.00 0.00 C ATOM 580 O GLU A 38 -5.037 -21.343 3.503 1.00 0.00 O ATOM 581 CB GLU A 38 -3.800 -23.935 2.222 1.00 0.00 C ATOM 582 CG GLU A 38 -4.072 -25.391 1.873 1.00 0.00 C ATOM 583 CD GLU A 38 -3.024 -26.327 2.407 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.048 -25.854 2.937 1.00 0.00 O ATOM 585 OE2 GLU A 38 -3.200 -27.516 2.284 1.00 0.00 O ATOM 0 H GLU A 38 -4.086 -23.364 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.853 -23.318 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.840 -23.645 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.708 -23.845 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.045 -25.679 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.127 -25.495 0.789 1.00 0.00 H new ATOM 592 N VAL A 39 -4.009 -20.696 1.609 1.00 0.00 N ATOM 593 CA VAL A 39 -3.627 -19.388 2.128 1.00 0.00 C ATOM 594 C VAL A 39 -4.389 -18.272 1.425 1.00 0.00 C ATOM 595 O VAL A 39 -3.962 -17.117 1.429 1.00 0.00 O ATOM 596 CB VAL A 39 -2.114 -19.163 1.950 1.00 0.00 C ATOM 597 CG1 VAL A 39 -1.325 -20.171 2.772 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.746 -19.262 0.477 1.00 0.00 C ATOM 0 H VAL A 39 -3.747 -20.856 0.636 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.877 -19.367 3.189 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.860 -18.165 2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.258 -19.997 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.578 -20.058 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.573 -21.181 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.674 -19.102 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.009 -20.251 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.291 -18.504 -0.086 1.00 0.00 H new ATOM 608 N GLY A 40 -5.520 -18.623 0.823 1.00 0.00 N ATOM 609 CA GLY A 40 -6.392 -17.638 0.194 1.00 0.00 C ATOM 610 C GLY A 40 -6.833 -18.096 -1.190 1.00 0.00 C ATOM 611 O GLY A 40 -6.182 -18.934 -1.814 1.00 0.00 O ATOM 0 H GLY A 40 -5.855 -19.584 0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.268 -17.471 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.870 -16.684 0.115 1.00 0.00 H new ATOM 615 N PRO A 41 -7.943 -17.542 -1.665 1.00 0.00 N ATOM 616 CA PRO A 41 -8.473 -17.892 -2.977 1.00 0.00 C ATOM 617 C PRO A 41 -7.438 -17.658 -4.070 1.00 0.00 C ATOM 618 O PRO A 41 -6.799 -16.607 -4.118 1.00 0.00 O ATOM 619 CB PRO A 41 -9.674 -16.952 -3.126 1.00 0.00 C ATOM 620 CG PRO A 41 -10.102 -16.681 -1.724 1.00 0.00 C ATOM 621 CD PRO A 41 -8.815 -16.591 -0.950 1.00 0.00 C ATOM 0 HA PRO A 41 -8.744 -18.944 -3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.399 -16.033 -3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.473 -17.416 -3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.673 -15.755 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.740 -17.478 -1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.406 -15.581 -0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.950 -16.871 0.095 1.00 0.00 H new ATOM 629 N VAL A 42 -7.277 -18.643 -4.946 1.00 0.00 N ATOM 630 CA VAL A 42 -6.346 -18.532 -6.062 1.00 0.00 C ATOM 631 C VAL A 42 -7.069 -18.150 -7.347 1.00 0.00 C ATOM 632 O VAL A 42 -8.003 -18.831 -7.771 1.00 0.00 O ATOM 633 CB VAL A 42 -5.601 -19.864 -6.272 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.679 -19.774 -7.479 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.815 -20.220 -5.019 1.00 0.00 C ATOM 0 H VAL A 42 -7.780 -19.529 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.630 -17.747 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.330 -20.651 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.161 -20.724 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.267 -19.553 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.948 -18.981 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.291 -21.163 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.091 -19.433 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.499 -20.320 -4.176 1.00 0.00 H new ATOM 645 N VAL A 43 -6.632 -17.057 -7.964 1.00 0.00 N ATOM 646 CA VAL A 43 -7.207 -16.608 -9.226 1.00 0.00 C ATOM 647 C VAL A 43 -6.714 -17.458 -10.390 1.00 0.00 C ATOM 648 O VAL A 43 -7.506 -17.926 -11.208 1.00 0.00 O ATOM 649 CB VAL A 43 -6.845 -15.133 -9.483 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.282 -14.713 -10.878 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.492 -14.250 -8.427 1.00 0.00 C ATOM 0 H VAL A 43 -5.880 -16.465 -7.610 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.289 -16.712 -9.152 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.763 -15.018 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.019 -13.668 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.780 -15.335 -11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.361 -14.834 -10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.232 -13.208 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.575 -14.367 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.133 -14.541 -7.440 1.00 0.00 H new ATOM 661 N SER A 44 -5.402 -17.655 -10.458 1.00 0.00 N ATOM 662 CA SER A 44 -4.798 -18.429 -11.536 1.00 0.00 C ATOM 663 C SER A 44 -3.332 -18.724 -11.249 1.00 0.00 C ATOM 664 O SER A 44 -2.617 -17.887 -10.698 1.00 0.00 O ATOM 665 CB SER A 44 -4.925 -17.683 -12.850 1.00 0.00 C ATOM 666 OG SER A 44 -4.335 -18.404 -13.896 1.00 0.00 O ATOM 0 H SER A 44 -4.736 -17.289 -9.778 1.00 0.00 H new ATOM 0 HA SER A 44 -5.330 -19.378 -11.606 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.978 -17.508 -13.073 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.451 -16.705 -12.765 1.00 0.00 H new ATOM 0 HG SER A 44 -4.431 -17.904 -14.733 1.00 0.00 H new ATOM 672 N PHE A 45 -2.889 -19.919 -11.625 1.00 0.00 N ATOM 673 CA PHE A 45 -1.486 -20.293 -11.491 1.00 0.00 C ATOM 674 C PHE A 45 -0.936 -20.842 -12.801 1.00 0.00 C ATOM 675 O PHE A 45 -1.628 -21.558 -13.525 1.00 0.00 O ATOM 676 CB PHE A 45 -1.314 -21.335 -10.384 1.00 0.00 C ATOM 677 CG PHE A 45 0.045 -21.975 -10.360 1.00 0.00 C ATOM 678 CD1 PHE A 45 1.153 -21.269 -9.914 1.00 0.00 C ATOM 679 CD2 PHE A 45 0.219 -23.283 -10.785 1.00 0.00 C ATOM 680 CE1 PHE A 45 2.403 -21.857 -9.893 1.00 0.00 C ATOM 681 CE2 PHE A 45 1.467 -23.874 -10.763 1.00 0.00 C ATOM 682 CZ PHE A 45 2.561 -23.159 -10.316 1.00 0.00 C ATOM 0 H PHE A 45 -3.482 -20.646 -12.025 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.927 -19.395 -11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.499 -20.861 -9.420 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.069 -22.111 -10.508 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.037 -20.249 -9.580 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.632 -23.847 -11.138 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.257 -21.296 -9.545 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.587 -24.895 -11.095 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.538 -23.619 -10.298 1.00 0.00 H new ATOM 692 N ARG A 46 0.314 -20.503 -13.101 1.00 0.00 N ATOM 693 CA ARG A 46 0.985 -21.022 -14.286 1.00 0.00 C ATOM 694 C ARG A 46 2.361 -21.577 -13.941 1.00 0.00 C ATOM 695 O ARG A 46 3.176 -20.898 -13.316 1.00 0.00 O ATOM 696 CB ARG A 46 1.131 -19.933 -15.339 1.00 0.00 C ATOM 697 CG ARG A 46 -0.181 -19.395 -15.888 1.00 0.00 C ATOM 698 CD ARG A 46 -0.887 -20.408 -16.713 1.00 0.00 C ATOM 699 NE ARG A 46 -2.115 -19.880 -17.287 1.00 0.00 N ATOM 700 CZ ARG A 46 -3.308 -19.870 -16.662 1.00 0.00 C ATOM 701 NH1 ARG A 46 -3.419 -20.361 -15.448 1.00 0.00 N ATOM 702 NH2 ARG A 46 -4.368 -19.366 -17.271 1.00 0.00 N ATOM 0 H ARG A 46 0.883 -19.870 -12.538 1.00 0.00 H new ATOM 0 HA ARG A 46 0.370 -21.830 -14.683 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.695 -19.105 -14.909 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.721 -20.325 -16.167 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.822 -19.087 -15.062 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.013 -18.507 -16.489 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.229 -20.747 -17.513 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.118 -21.279 -16.099 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.069 -19.490 -18.228 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.601 -20.750 -14.978 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.323 -20.353 -14.975 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.282 -18.985 -18.213 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.272 -19.358 -16.798 1.00 0.00 H new ATOM 716 N LEU A 47 2.614 -22.816 -14.351 1.00 0.00 N ATOM 717 CA LEU A 47 3.906 -23.450 -14.120 1.00 0.00 C ATOM 718 C LEU A 47 4.773 -23.405 -15.372 1.00 0.00 C ATOM 719 O LEU A 47 4.346 -23.820 -16.450 1.00 0.00 O ATOM 720 CB LEU A 47 3.710 -24.906 -13.679 1.00 0.00 C ATOM 721 CG LEU A 47 4.995 -25.723 -13.493 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.814 -25.130 -12.354 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.637 -27.175 -13.210 1.00 0.00 C ATOM 0 H LEU A 47 1.940 -23.401 -14.845 1.00 0.00 H new ATOM 0 HA LEU A 47 4.414 -22.897 -13.330 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.159 -24.911 -12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.085 -25.409 -14.417 1.00 0.00 H new ATOM 0 HG LEU A 47 5.594 -25.687 -14.403 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.727 -25.710 -12.222 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.071 -24.097 -12.590 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.230 -25.157 -11.434 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.550 -27.756 -13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.036 -27.231 -12.302 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.068 -27.579 -14.047 1.00 0.00 H new ATOM 735 N VAL A 48 5.992 -22.898 -15.223 1.00 0.00 N ATOM 736 CA VAL A 48 6.936 -22.835 -16.332 1.00 0.00 C ATOM 737 C VAL A 48 7.612 -24.181 -16.558 1.00 0.00 C ATOM 738 O VAL A 48 8.122 -24.796 -15.621 1.00 0.00 O ATOM 739 CB VAL A 48 8.010 -21.764 -16.060 1.00 0.00 C ATOM 740 CG1 VAL A 48 9.049 -21.758 -17.171 1.00 0.00 C ATOM 741 CG2 VAL A 48 7.355 -20.398 -15.925 1.00 0.00 C ATOM 0 H VAL A 48 6.350 -22.524 -14.344 1.00 0.00 H new ATOM 0 HA VAL A 48 6.375 -22.571 -17.229 1.00 0.00 H new ATOM 0 HB VAL A 48 8.518 -22.001 -15.125 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.800 -20.996 -16.963 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.529 -22.735 -17.225 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.564 -21.539 -18.122 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.120 -19.645 -15.733 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.829 -20.154 -16.848 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.646 -20.415 -15.097 1.00 0.00 H new ATOM 751 N TYR A 49 7.613 -24.635 -17.807 1.00 0.00 N ATOM 752 CA TYR A 49 8.260 -25.891 -18.165 1.00 0.00 C ATOM 753 C TYR A 49 9.560 -25.645 -18.921 1.00 0.00 C ATOM 754 O TYR A 49 9.674 -24.684 -19.682 1.00 0.00 O ATOM 755 CB TYR A 49 7.318 -26.761 -19.000 1.00 0.00 C ATOM 756 CG TYR A 49 6.139 -27.303 -18.223 1.00 0.00 C ATOM 757 CD1 TYR A 49 5.030 -26.501 -17.996 1.00 0.00 C ATOM 758 CD2 TYR A 49 6.167 -28.602 -17.737 1.00 0.00 C ATOM 759 CE1 TYR A 49 3.953 -26.996 -17.286 1.00 0.00 C ATOM 760 CE2 TYR A 49 5.090 -29.097 -17.028 1.00 0.00 C ATOM 761 CZ TYR A 49 3.987 -28.299 -16.802 1.00 0.00 C ATOM 762 OH TYR A 49 2.914 -28.793 -16.095 1.00 0.00 O ATOM 0 H TYR A 49 7.172 -24.151 -18.589 1.00 0.00 H new ATOM 0 HA TYR A 49 8.499 -26.418 -17.242 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.948 -26.176 -19.842 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.882 -27.596 -19.416 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.008 -25.490 -18.374 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.031 -29.226 -17.913 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.089 -26.374 -17.108 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.111 -30.109 -16.650 1.00 0.00 H new ATOM 0 HH TYR A 49 3.096 -29.718 -15.829 1.00 0.00 H new ATOM 772 N ALA A 50 10.538 -26.519 -18.707 1.00 0.00 N ATOM 773 CA ALA A 50 11.800 -26.448 -19.433 1.00 0.00 C ATOM 774 C ALA A 50 11.753 -27.284 -20.705 1.00 0.00 C ATOM 775 O ALA A 50 11.817 -28.512 -20.655 1.00 0.00 O ATOM 776 CB ALA A 50 12.948 -26.903 -18.543 1.00 0.00 C ATOM 0 H ALA A 50 10.480 -27.285 -18.036 1.00 0.00 H new ATOM 0 HA ALA A 50 11.965 -25.409 -19.720 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.884 -26.845 -19.098 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.006 -26.259 -17.666 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.777 -27.932 -18.227 1.00 0.00 H new ATOM 782 N ARG A 51 11.640 -26.611 -21.845 1.00 0.00 N ATOM 783 CA ARG A 51 11.433 -27.291 -23.118 1.00 0.00 C ATOM 784 C ARG A 51 12.665 -28.092 -23.521 1.00 0.00 C ATOM 785 O ARG A 51 12.578 -29.018 -24.327 1.00 0.00 O ATOM 786 CB ARG A 51 11.104 -26.287 -24.214 1.00 0.00 C ATOM 787 CG ARG A 51 9.745 -25.618 -24.081 1.00 0.00 C ATOM 788 CD ARG A 51 9.513 -24.626 -25.161 1.00 0.00 C ATOM 789 NE ARG A 51 8.219 -23.976 -25.032 1.00 0.00 N ATOM 790 CZ ARG A 51 7.791 -22.961 -25.808 1.00 0.00 C ATOM 791 NH1 ARG A 51 8.566 -22.492 -26.762 1.00 0.00 N ATOM 792 NH2 ARG A 51 6.594 -22.437 -25.611 1.00 0.00 N ATOM 0 H ARG A 51 11.688 -25.594 -21.913 1.00 0.00 H new ATOM 0 HA ARG A 51 10.595 -27.976 -22.991 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.874 -25.515 -24.223 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.150 -26.794 -25.178 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.962 -26.376 -24.109 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.676 -25.124 -23.112 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.301 -23.873 -25.138 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.575 -25.123 -26.129 1.00 0.00 H new ATOM 0 HE ARG A 51 7.591 -24.312 -24.302 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.490 -22.897 -26.914 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.243 -21.724 -27.350 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.993 -22.801 -24.871 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.271 -21.669 -26.199 1.00 0.00 H new ATOM 806 N GLU A 52 13.811 -27.729 -22.956 1.00 0.00 N ATOM 807 CA GLU A 52 15.061 -28.423 -23.244 1.00 0.00 C ATOM 808 C GLU A 52 15.010 -29.870 -22.769 1.00 0.00 C ATOM 809 O GLU A 52 15.730 -30.727 -23.281 1.00 0.00 O ATOM 810 CB GLU A 52 16.237 -27.700 -22.584 1.00 0.00 C ATOM 811 CG GLU A 52 16.454 -26.276 -23.073 1.00 0.00 C ATOM 812 CD GLU A 52 15.561 -25.279 -22.387 1.00 0.00 C ATOM 813 OE1 GLU A 52 14.709 -25.691 -21.637 1.00 0.00 O ATOM 814 OE2 GLU A 52 15.732 -24.104 -22.614 1.00 0.00 O ATOM 0 H GLU A 52 13.900 -26.957 -22.295 1.00 0.00 H new ATOM 0 HA GLU A 52 15.201 -28.422 -24.325 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.077 -27.681 -21.506 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.146 -28.274 -22.761 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.495 -25.996 -22.910 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.277 -26.235 -24.148 1.00 0.00 H new ATOM 821 N THR A 53 14.154 -30.135 -21.788 1.00 0.00 N ATOM 822 CA THR A 53 14.043 -31.469 -21.208 1.00 0.00 C ATOM 823 C THR A 53 12.630 -32.018 -21.358 1.00 0.00 C ATOM 824 O THR A 53 12.428 -33.231 -21.411 1.00 0.00 O ATOM 825 CB THR A 53 14.441 -31.461 -19.721 1.00 0.00 C ATOM 826 OG1 THR A 53 13.544 -30.617 -18.988 1.00 0.00 O ATOM 827 CG2 THR A 53 15.864 -30.951 -19.551 1.00 0.00 C ATOM 0 H THR A 53 13.527 -29.444 -21.377 1.00 0.00 H new ATOM 0 HA THR A 53 14.730 -32.117 -21.752 1.00 0.00 H new ATOM 0 HB THR A 53 14.384 -32.481 -19.341 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.798 -30.614 -18.041 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.127 -30.953 -18.493 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.550 -31.599 -20.097 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.936 -29.936 -19.941 1.00 0.00 H new ATOM 835 N GLY A 54 11.655 -31.118 -21.425 1.00 0.00 N ATOM 836 CA GLY A 54 10.251 -31.511 -21.453 1.00 0.00 C ATOM 837 C GLY A 54 9.677 -31.605 -20.046 1.00 0.00 C ATOM 838 O GLY A 54 8.509 -31.949 -19.864 1.00 0.00 O ATOM 0 H GLY A 54 11.811 -30.111 -21.461 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.680 -30.787 -22.034 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.150 -32.473 -21.955 1.00 0.00 H new ATOM 842 N LYS A 55 10.504 -31.298 -19.053 1.00 0.00 N ATOM 843 CA LYS A 55 10.088 -31.374 -17.657 1.00 0.00 C ATOM 844 C LYS A 55 9.875 -29.984 -17.070 1.00 0.00 C ATOM 845 O LYS A 55 10.381 -28.993 -17.596 1.00 0.00 O ATOM 846 CB LYS A 55 11.120 -32.142 -16.831 1.00 0.00 C ATOM 847 CG LYS A 55 11.398 -33.555 -17.327 1.00 0.00 C ATOM 848 CD LYS A 55 10.157 -34.429 -17.227 1.00 0.00 C ATOM 849 CE LYS A 55 10.456 -35.865 -17.631 1.00 0.00 C ATOM 850 NZ LYS A 55 9.239 -36.721 -17.589 1.00 0.00 N ATOM 0 H LYS A 55 11.468 -30.994 -19.189 1.00 0.00 H new ATOM 0 HA LYS A 55 9.139 -31.908 -17.621 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.055 -31.581 -16.827 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.775 -32.194 -15.798 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.738 -33.519 -18.362 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.205 -33.996 -16.742 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.777 -34.408 -16.206 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.373 -34.025 -17.867 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.874 -35.879 -18.637 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.213 -36.279 -16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.487 -37.691 -17.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.854 -36.729 -16.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.525 -36.342 -18.243 1.00 0.00 H new ATOM 864 N PRO A 56 9.125 -29.919 -15.975 1.00 0.00 N ATOM 865 CA PRO A 56 8.880 -28.656 -15.289 1.00 0.00 C ATOM 866 C PRO A 56 10.186 -27.949 -14.952 1.00 0.00 C ATOM 867 O PRO A 56 11.157 -28.583 -14.540 1.00 0.00 O ATOM 868 CB PRO A 56 8.130 -29.090 -14.026 1.00 0.00 C ATOM 869 CG PRO A 56 7.434 -30.346 -14.427 1.00 0.00 C ATOM 870 CD PRO A 56 8.415 -31.046 -15.330 1.00 0.00 C ATOM 0 HA PRO A 56 8.320 -27.940 -15.890 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.815 -29.262 -13.196 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.421 -28.328 -13.702 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.186 -30.957 -13.559 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.499 -30.134 -14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.096 -31.686 -14.769 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.912 -31.679 -16.061 1.00 0.00 H new ATOM 878 N LYS A 57 10.204 -26.633 -15.130 1.00 0.00 N ATOM 879 CA LYS A 57 11.379 -25.832 -14.808 1.00 0.00 C ATOM 880 C LYS A 57 11.573 -25.720 -13.301 1.00 0.00 C ATOM 881 O LYS A 57 12.702 -25.672 -12.812 1.00 0.00 O ATOM 882 CB LYS A 57 11.264 -24.438 -15.428 1.00 0.00 C ATOM 883 CG LYS A 57 12.487 -23.555 -15.221 1.00 0.00 C ATOM 884 CD LYS A 57 13.683 -24.075 -16.005 1.00 0.00 C ATOM 885 CE LYS A 57 14.882 -23.149 -15.865 1.00 0.00 C ATOM 886 NZ LYS A 57 16.073 -23.666 -16.593 1.00 0.00 N ATOM 0 H LYS A 57 9.417 -26.097 -15.496 1.00 0.00 H new ATOM 0 HA LYS A 57 12.250 -26.335 -15.228 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.084 -24.543 -16.498 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.393 -23.937 -15.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.260 -22.536 -15.534 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.734 -23.515 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.947 -25.071 -15.651 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.416 -24.171 -17.057 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.624 -22.161 -16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.126 -23.029 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.867 -23.006 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.336 -24.597 -16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.849 -23.757 -17.605 1.00 0.00 H new ATOM 900 N GLY A 58 10.465 -25.680 -12.568 1.00 0.00 N ATOM 901 CA GLY A 58 10.511 -25.564 -11.116 1.00 0.00 C ATOM 902 C GLY A 58 10.124 -24.162 -10.662 1.00 0.00 C ATOM 903 O GLY A 58 10.184 -23.845 -9.474 1.00 0.00 O ATOM 0 H GLY A 58 9.523 -25.726 -12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.835 -26.293 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.514 -25.800 -10.761 1.00 0.00 H new ATOM 907 N TYR A 59 9.728 -23.326 -11.616 1.00 0.00 N ATOM 908 CA TYR A 59 9.332 -21.955 -11.316 1.00 0.00 C ATOM 909 C TYR A 59 8.002 -21.610 -11.973 1.00 0.00 C ATOM 910 O TYR A 59 7.622 -22.207 -12.980 1.00 0.00 O ATOM 911 CB TYR A 59 10.416 -20.974 -11.767 1.00 0.00 C ATOM 912 CG TYR A 59 11.732 -21.143 -11.040 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.684 -22.027 -11.526 1.00 0.00 C ATOM 914 CD2 TYR A 59 11.987 -20.414 -9.888 1.00 0.00 C ATOM 915 CE1 TYR A 59 13.886 -22.182 -10.863 1.00 0.00 C ATOM 916 CE2 TYR A 59 13.189 -20.568 -9.225 1.00 0.00 C ATOM 917 CZ TYR A 59 14.136 -21.448 -9.709 1.00 0.00 C ATOM 918 OH TYR A 59 15.333 -21.602 -9.048 1.00 0.00 O ATOM 0 H TYR A 59 9.673 -23.574 -12.604 1.00 0.00 H new ATOM 0 HA TYR A 59 9.208 -21.871 -10.236 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.584 -21.099 -12.837 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.057 -19.956 -11.617 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.485 -22.594 -12.423 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.246 -19.726 -9.509 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.628 -22.870 -11.239 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.388 -20.000 -8.328 1.00 0.00 H new ATOM 0 HH TYR A 59 15.350 -21.017 -8.262 1.00 0.00 H new ATOM 928 N GLY A 60 7.296 -20.642 -11.397 1.00 0.00 N ATOM 929 CA GLY A 60 6.039 -20.169 -11.964 1.00 0.00 C ATOM 930 C GLY A 60 5.553 -18.912 -11.254 1.00 0.00 C ATOM 931 O GLY A 60 6.332 -18.214 -10.605 1.00 0.00 O ATOM 0 H GLY A 60 7.574 -20.170 -10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.171 -19.962 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.284 -20.951 -11.883 1.00 0.00 H new ATOM 935 N PHE A 61 4.261 -18.629 -11.381 1.00 0.00 N ATOM 936 CA PHE A 61 3.652 -17.501 -10.687 1.00 0.00 C ATOM 937 C PHE A 61 2.181 -17.764 -10.392 1.00 0.00 C ATOM 938 O PHE A 61 1.529 -18.543 -11.087 1.00 0.00 O ATOM 939 CB PHE A 61 3.790 -16.224 -11.517 1.00 0.00 C ATOM 940 CG PHE A 61 3.050 -16.268 -12.824 1.00 0.00 C ATOM 941 CD1 PHE A 61 1.725 -15.867 -12.900 1.00 0.00 C ATOM 942 CD2 PHE A 61 3.677 -16.711 -13.979 1.00 0.00 C ATOM 943 CE1 PHE A 61 1.043 -15.907 -14.102 1.00 0.00 C ATOM 944 CE2 PHE A 61 2.999 -16.751 -15.181 1.00 0.00 C ATOM 945 CZ PHE A 61 1.680 -16.349 -15.242 1.00 0.00 C ATOM 0 H PHE A 61 3.615 -19.166 -11.959 1.00 0.00 H new ATOM 0 HA PHE A 61 4.177 -17.373 -9.740 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.425 -15.380 -10.932 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.846 -16.042 -11.714 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.220 -15.520 -12.011 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.708 -17.029 -13.938 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.011 -15.592 -14.148 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.500 -17.097 -16.073 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.148 -16.381 -16.181 1.00 0.00 H new ATOM 955 N CYS A 62 1.664 -17.111 -9.357 1.00 0.00 N ATOM 956 CA CYS A 62 0.303 -17.359 -8.898 1.00 0.00 C ATOM 957 C CYS A 62 -0.404 -16.057 -8.542 1.00 0.00 C ATOM 958 O CYS A 62 0.131 -15.231 -7.802 1.00 0.00 O ATOM 959 CB CYS A 62 0.305 -18.281 -7.678 1.00 0.00 C ATOM 960 SG CYS A 62 -1.344 -18.724 -7.083 1.00 0.00 S ATOM 0 H CYS A 62 2.168 -16.405 -8.820 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.234 -17.840 -9.715 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.847 -19.194 -7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.852 -17.795 -6.870 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.521 -18.237 -5.891 1.00 0.00 H new ATOM 966 N GLU A 63 -1.608 -15.879 -9.074 1.00 0.00 N ATOM 967 CA GLU A 63 -2.416 -14.704 -8.766 1.00 0.00 C ATOM 968 C GLU A 63 -3.443 -15.010 -7.684 1.00 0.00 C ATOM 969 O GLU A 63 -4.131 -16.030 -7.737 1.00 0.00 O ATOM 970 CB GLU A 63 -3.123 -14.198 -10.025 1.00 0.00 C ATOM 971 CG GLU A 63 -2.186 -13.675 -11.105 1.00 0.00 C ATOM 972 CD GLU A 63 -2.917 -13.143 -12.306 1.00 0.00 C ATOM 973 OE1 GLU A 63 -4.103 -13.351 -12.396 1.00 0.00 O ATOM 974 OE2 GLU A 63 -2.288 -12.528 -13.135 1.00 0.00 O ATOM 0 H GLU A 63 -2.047 -16.534 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.747 -13.928 -8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.721 -15.008 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.814 -13.403 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.562 -12.885 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.518 -14.477 -11.419 1.00 0.00 H new ATOM 981 N TYR A 64 -3.542 -14.121 -6.701 1.00 0.00 N ATOM 982 CA TYR A 64 -4.467 -14.308 -5.589 1.00 0.00 C ATOM 983 C TYR A 64 -5.570 -13.259 -5.608 1.00 0.00 C ATOM 984 O TYR A 64 -5.474 -12.255 -6.314 1.00 0.00 O ATOM 985 CB TYR A 64 -3.716 -14.266 -4.256 1.00 0.00 C ATOM 986 CG TYR A 64 -2.914 -15.515 -3.968 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.614 -15.630 -4.440 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.477 -16.546 -3.230 1.00 0.00 C ATOM 989 CE1 TYR A 64 -0.882 -16.771 -4.176 1.00 0.00 C ATOM 990 CE2 TYR A 64 -2.744 -17.687 -2.966 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.452 -17.801 -3.436 1.00 0.00 C ATOM 992 OH TYR A 64 -0.722 -18.937 -3.174 1.00 0.00 O ATOM 0 H TYR A 64 -2.992 -13.263 -6.652 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.931 -15.288 -5.700 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.046 -13.407 -4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.434 -14.112 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.175 -14.827 -5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.488 -16.457 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.130 -16.863 -4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.182 -18.490 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.157 -19.448 -2.460 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.618 -13.496 -4.826 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.759 -12.589 -4.778 1.00 0.00 C ATOM 1004 C GLN A 65 -7.309 -11.149 -4.565 1.00 0.00 C ATOM 1005 O GLN A 65 -7.704 -10.249 -5.307 1.00 0.00 O ATOM 1006 CB GLN A 65 -8.727 -13.003 -3.667 1.00 0.00 C ATOM 1007 CG GLN A 65 -9.967 -12.132 -3.564 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.885 -12.288 -4.761 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.232 -13.406 -5.153 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.284 -11.167 -5.350 1.00 0.00 N ATOM 0 H GLN A 65 -6.701 -14.309 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.272 -12.650 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.035 -14.035 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.200 -12.979 -2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.513 -12.388 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.668 -11.088 -3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.972 -10.264 -4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.902 -11.209 -6.160 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.480 -10.937 -3.548 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.061 -9.593 -3.169 1.00 0.00 C ATOM 1021 C ASP A 66 -4.634 -9.592 -2.636 1.00 0.00 C ATOM 1022 O ASP A 66 -3.953 -10.617 -2.656 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.006 -9.014 -2.114 1.00 0.00 C ATOM 1024 CG ASP A 66 -6.982 -9.792 -0.806 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.038 -10.511 -0.582 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -7.909 -9.659 -0.043 1.00 0.00 O ATOM 0 H ASP A 66 -6.085 -11.680 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.097 -8.970 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.733 -7.977 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.022 -9.007 -2.508 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.186 -8.435 -2.161 1.00 0.00 N ATOM 1032 CA GLN A 67 -2.807 -8.271 -1.717 1.00 0.00 C ATOM 1033 C GLN A 67 -2.536 -9.076 -0.452 1.00 0.00 C ATOM 1034 O GLN A 67 -1.455 -9.640 -0.284 1.00 0.00 O ATOM 1035 CB GLN A 67 -2.495 -6.792 -1.472 1.00 0.00 C ATOM 1036 CG GLN A 67 -2.504 -5.938 -2.728 1.00 0.00 C ATOM 1037 CD GLN A 67 -2.147 -4.490 -2.446 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -1.572 -4.170 -1.402 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -2.487 -3.606 -3.377 1.00 0.00 N ATOM 0 H GLN A 67 -4.759 -7.596 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.157 -8.646 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.223 -6.390 -0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.516 -6.712 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.798 -6.350 -3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.491 -5.983 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.961 -3.916 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.274 -2.617 -3.244 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.524 -9.125 0.435 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.361 -9.778 1.728 1.00 0.00 C ATOM 1050 C GLU A 68 -3.209 -11.286 1.568 1.00 0.00 C ATOM 1051 O GLU A 68 -2.417 -11.917 2.268 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.554 -9.470 2.635 1.00 0.00 C ATOM 1053 CG GLU A 68 -4.461 -10.083 4.026 1.00 0.00 C ATOM 1054 CD GLU A 68 -3.296 -9.559 4.819 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.841 -8.479 4.528 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -2.861 -10.240 5.717 1.00 0.00 O ATOM 0 H GLU A 68 -4.447 -8.720 0.281 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.452 -9.388 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.651 -8.389 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.464 -9.829 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.384 -9.881 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.375 -11.166 3.935 1.00 0.00 H new ATOM 1063 N THR A 69 -3.972 -11.858 0.643 1.00 0.00 N ATOM 1064 CA THR A 69 -3.890 -13.285 0.358 1.00 0.00 C ATOM 1065 C THR A 69 -2.600 -13.629 -0.374 1.00 0.00 C ATOM 1066 O THR A 69 -2.060 -14.724 -0.221 1.00 0.00 O ATOM 1067 CB THR A 69 -5.098 -13.754 -0.475 1.00 0.00 C ATOM 1068 OG1 THR A 69 -5.222 -12.935 -1.644 1.00 0.00 O ATOM 1069 CG2 THR A 69 -6.377 -13.662 0.343 1.00 0.00 C ATOM 0 H THR A 69 -4.655 -11.354 0.077 1.00 0.00 H new ATOM 0 HA THR A 69 -3.898 -13.805 1.316 1.00 0.00 H new ATOM 0 HB THR A 69 -4.939 -14.792 -0.766 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.589 -12.061 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.220 -13.997 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.290 -14.294 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.539 -12.629 0.650 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.109 -12.685 -1.171 1.00 0.00 N ATOM 1078 CA ALA A 70 -0.813 -12.832 -1.823 1.00 0.00 C ATOM 1079 C ALA A 70 0.324 -12.759 -0.812 1.00 0.00 C ATOM 1080 O ALA A 70 1.266 -13.551 -0.865 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.636 -11.766 -2.895 1.00 0.00 C ATOM 0 H ALA A 70 -2.589 -11.810 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.783 -13.815 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.336 -11.888 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.423 -11.867 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.694 -10.778 -2.439 1.00 0.00 H new ATOM 1087 N LEU A 71 0.231 -11.805 0.108 1.00 0.00 N ATOM 1088 CA LEU A 71 1.224 -11.662 1.166 1.00 0.00 C ATOM 1089 C LEU A 71 1.159 -12.828 2.144 1.00 0.00 C ATOM 1090 O LEU A 71 2.183 -13.277 2.658 1.00 0.00 O ATOM 1091 CB LEU A 71 1.010 -10.343 1.918 1.00 0.00 C ATOM 1092 CG LEU A 71 1.323 -9.067 1.126 1.00 0.00 C ATOM 1093 CD1 LEU A 71 0.884 -7.850 1.929 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.812 -9.012 0.819 1.00 0.00 C ATOM 0 H LEU A 71 -0.523 -11.119 0.142 1.00 0.00 H new ATOM 0 HA LEU A 71 2.210 -11.658 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.028 -10.298 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.629 -10.353 2.815 1.00 0.00 H new ATOM 0 HG LEU A 71 0.778 -9.071 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.106 -6.943 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.188 -7.906 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.419 -7.828 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.034 -8.105 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.376 -9.008 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.094 -9.884 0.229 1.00 0.00 H new ATOM 1106 N SER A 72 -0.051 -13.314 2.397 1.00 0.00 N ATOM 1107 CA SER A 72 -0.243 -14.497 3.228 1.00 0.00 C ATOM 1108 C SER A 72 0.455 -15.711 2.628 1.00 0.00 C ATOM 1109 O SER A 72 1.090 -16.489 3.340 1.00 0.00 O ATOM 1110 CB SER A 72 -1.723 -14.784 3.393 1.00 0.00 C ATOM 1111 OG SER A 72 -2.353 -13.768 4.123 1.00 0.00 O ATOM 0 H SER A 72 -0.915 -12.907 2.038 1.00 0.00 H new ATOM 0 HA SER A 72 0.198 -14.297 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.191 -14.876 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.857 -15.739 3.901 1.00 0.00 H new ATOM 0 HG SER A 72 -2.699 -13.089 3.507 1.00 0.00 H new ATOM 1117 N ALA A 73 0.334 -15.867 1.314 1.00 0.00 N ATOM 1118 CA ALA A 73 1.064 -16.904 0.595 1.00 0.00 C ATOM 1119 C ALA A 73 2.568 -16.754 0.788 1.00 0.00 C ATOM 1120 O ALA A 73 3.264 -17.723 1.090 1.00 0.00 O ATOM 1121 CB ALA A 73 0.715 -16.869 -0.885 1.00 0.00 C ATOM 0 H ALA A 73 -0.264 -15.287 0.725 1.00 0.00 H new ATOM 0 HA ALA A 73 0.766 -17.869 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.268 -17.649 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.355 -17.036 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.981 -15.896 -1.299 1.00 0.00 H new ATOM 1127 N MET A 74 3.063 -15.534 0.611 1.00 0.00 N ATOM 1128 CA MET A 74 4.478 -15.245 0.811 1.00 0.00 C ATOM 1129 C MET A 74 4.930 -15.643 2.210 1.00 0.00 C ATOM 1130 O MET A 74 6.014 -16.197 2.389 1.00 0.00 O ATOM 1131 CB MET A 74 4.754 -13.764 0.563 1.00 0.00 C ATOM 1132 CG MET A 74 6.200 -13.345 0.793 1.00 0.00 C ATOM 1133 SD MET A 74 6.444 -11.566 0.626 1.00 0.00 S ATOM 1134 CE MET A 74 5.613 -10.971 2.096 1.00 0.00 C ATOM 0 H MET A 74 2.504 -14.728 0.329 1.00 0.00 H new ATOM 0 HA MET A 74 5.049 -15.836 0.095 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.478 -13.523 -0.463 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.110 -13.173 1.214 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.511 -13.658 1.790 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.842 -13.864 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.911 -9.941 2.291 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.534 -11.015 1.947 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.887 -11.595 2.947 1.00 0.00 H new ATOM 1144 N ARG A 75 4.091 -15.357 3.201 1.00 0.00 N ATOM 1145 CA ARG A 75 4.466 -15.537 4.598 1.00 0.00 C ATOM 1146 C ARG A 75 4.274 -16.983 5.038 1.00 0.00 C ATOM 1147 O ARG A 75 4.996 -17.479 5.903 1.00 0.00 O ATOM 1148 CB ARG A 75 3.644 -14.623 5.495 1.00 0.00 C ATOM 1149 CG ARG A 75 3.943 -13.140 5.342 1.00 0.00 C ATOM 1150 CD ARG A 75 3.015 -12.307 6.149 1.00 0.00 C ATOM 1151 NE ARG A 75 1.649 -12.382 5.655 1.00 0.00 N ATOM 1152 CZ ARG A 75 0.632 -11.618 6.098 1.00 0.00 C ATOM 1153 NH1 ARG A 75 0.843 -10.727 7.043 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -0.576 -11.762 5.584 1.00 0.00 N ATOM 0 H ARG A 75 3.146 -14.999 3.061 1.00 0.00 H new ATOM 0 HA ARG A 75 5.521 -15.280 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.587 -14.789 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.814 -14.908 6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.970 -12.942 5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.864 -12.859 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.044 -12.635 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.350 -11.270 6.132 1.00 0.00 H new ATOM 0 HE ARG A 75 1.447 -13.061 4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.776 -10.615 7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.073 -10.148 7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.739 -12.452 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.346 -11.183 5.920 1.00 0.00 H new ATOM 1168 N ASN A 76 3.297 -17.654 4.439 1.00 0.00 N ATOM 1169 CA ASN A 76 2.880 -18.973 4.897 1.00 0.00 C ATOM 1170 C ASN A 76 3.524 -20.074 4.065 1.00 0.00 C ATOM 1171 O ASN A 76 4.141 -20.993 4.603 1.00 0.00 O ATOM 1172 CB ASN A 76 1.368 -19.096 4.867 1.00 0.00 C ATOM 1173 CG ASN A 76 0.700 -18.270 5.931 1.00 0.00 C ATOM 1174 OD1 ASN A 76 1.324 -17.903 6.933 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.559 -17.971 5.734 1.00 0.00 N ATOM 0 H ASN A 76 2.778 -17.305 3.633 1.00 0.00 H new ATOM 0 HA ASN A 76 3.216 -19.091 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.001 -18.787 3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.090 -20.142 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.065 -17.414 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.034 -18.295 4.892 1.00 0.00 H new ATOM 1182 N LEU A 77 3.375 -19.977 2.748 1.00 0.00 N ATOM 1183 CA LEU A 77 3.780 -21.052 1.850 1.00 0.00 C ATOM 1184 C LEU A 77 5.297 -21.145 1.750 1.00 0.00 C ATOM 1185 O LEU A 77 5.850 -22.227 1.553 1.00 0.00 O ATOM 1186 CB LEU A 77 3.182 -20.830 0.454 1.00 0.00 C ATOM 1187 CG LEU A 77 1.659 -20.978 0.352 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.210 -20.649 -1.066 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.260 -22.395 0.736 1.00 0.00 C ATOM 0 H LEU A 77 2.976 -19.164 2.279 1.00 0.00 H new ATOM 0 HA LEU A 77 3.405 -21.989 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.455 -19.830 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.644 -21.536 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 77 1.171 -20.285 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.128 -20.754 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.492 -19.624 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.689 -21.333 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.178 -22.500 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.740 -23.104 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.577 -22.598 1.759 1.00 0.00 H new ATOM 1201 N ASN A 78 5.965 -20.005 1.887 1.00 0.00 N ATOM 1202 CA ASN A 78 7.412 -19.940 1.720 1.00 0.00 C ATOM 1203 C ASN A 78 8.129 -20.709 2.822 1.00 0.00 C ATOM 1204 O ASN A 78 8.183 -20.264 3.968 1.00 0.00 O ATOM 1205 CB ASN A 78 7.881 -18.497 1.684 1.00 0.00 C ATOM 1206 CG ASN A 78 9.342 -18.373 1.352 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.170 -19.154 1.835 1.00 0.00 O ATOM 1208 ND2 ASN A 78 9.675 -17.405 0.536 1.00 0.00 N ATOM 0 H ASN A 78 5.527 -19.112 2.114 1.00 0.00 H new ATOM 0 HA ASN A 78 7.661 -20.409 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.296 -17.947 0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.691 -18.033 2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.652 -17.272 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.958 -16.784 0.162 1.00 0.00 H new ATOM 1215 N GLY A 79 8.678 -21.866 2.468 1.00 0.00 N ATOM 1216 CA GLY A 79 9.409 -22.691 3.422 1.00 0.00 C ATOM 1217 C GLY A 79 8.718 -24.031 3.635 1.00 0.00 C ATOM 1218 O GLY A 79 9.306 -24.964 4.183 1.00 0.00 O ATOM 0 H GLY A 79 8.630 -22.254 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.424 -22.856 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.490 -22.166 4.374 1.00 0.00 H new ATOM 1222 N ARG A 80 7.466 -24.122 3.200 1.00 0.00 N ATOM 1223 CA ARG A 80 6.679 -25.336 3.377 1.00 0.00 C ATOM 1224 C ARG A 80 7.118 -26.424 2.406 1.00 0.00 C ATOM 1225 O ARG A 80 7.096 -26.231 1.191 1.00 0.00 O ATOM 1226 CB ARG A 80 5.198 -25.048 3.176 1.00 0.00 C ATOM 1227 CG ARG A 80 4.534 -24.287 4.312 1.00 0.00 C ATOM 1228 CD ARG A 80 3.071 -24.145 4.097 1.00 0.00 C ATOM 1229 NE ARG A 80 2.387 -25.426 4.164 1.00 0.00 N ATOM 1230 CZ ARG A 80 1.087 -25.616 3.865 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.346 -24.600 3.483 1.00 0.00 N ATOM 1232 NH2 ARG A 80 0.557 -26.823 3.957 1.00 0.00 N ATOM 0 H ARG A 80 6.974 -23.368 2.721 1.00 0.00 H new ATOM 0 HA ARG A 80 6.844 -25.688 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.075 -24.477 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.674 -25.994 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.715 -24.807 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.986 -23.299 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.657 -23.473 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.890 -23.687 3.125 1.00 0.00 H new ATOM 0 HE ARG A 80 2.929 -26.238 4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.755 -23.668 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.638 -24.743 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.132 -27.611 4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.427 -26.966 3.731 1.00 0.00 H new ATOM 1246 N GLU A 81 7.517 -27.569 2.950 1.00 0.00 N ATOM 1247 CA GLU A 81 7.915 -28.708 2.131 1.00 0.00 C ATOM 1248 C GLU A 81 6.717 -29.315 1.412 1.00 0.00 C ATOM 1249 O GLU A 81 5.708 -29.643 2.035 1.00 0.00 O ATOM 1250 CB GLU A 81 8.597 -29.773 2.994 1.00 0.00 C ATOM 1251 CG GLU A 81 9.128 -30.968 2.215 1.00 0.00 C ATOM 1252 CD GLU A 81 9.819 -31.976 3.090 1.00 0.00 C ATOM 1253 OE1 GLU A 81 9.931 -31.735 4.268 1.00 0.00 O ATOM 1254 OE2 GLU A 81 10.235 -32.990 2.580 1.00 0.00 O ATOM 0 H GLU A 81 7.573 -27.733 3.955 1.00 0.00 H new ATOM 0 HA GLU A 81 8.620 -28.349 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.423 -29.311 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.887 -30.128 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.302 -31.452 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.824 -30.618 1.453 1.00 0.00 H new ATOM 1261 N PHE A 82 6.836 -29.461 0.096 1.00 0.00 N ATOM 1262 CA PHE A 82 5.799 -30.109 -0.699 1.00 0.00 C ATOM 1263 C PHE A 82 6.399 -31.118 -1.670 1.00 0.00 C ATOM 1264 O PHE A 82 7.188 -30.759 -2.544 1.00 0.00 O ATOM 1265 CB PHE A 82 4.991 -29.066 -1.473 1.00 0.00 C ATOM 1266 CG PHE A 82 3.864 -29.649 -2.278 1.00 0.00 C ATOM 1267 CD1 PHE A 82 2.949 -30.512 -1.693 1.00 0.00 C ATOM 1268 CD2 PHE A 82 3.717 -29.336 -3.621 1.00 0.00 C ATOM 1269 CE1 PHE A 82 1.912 -31.049 -2.433 1.00 0.00 C ATOM 1270 CE2 PHE A 82 2.681 -29.870 -4.362 1.00 0.00 C ATOM 1271 CZ PHE A 82 1.777 -30.728 -3.767 1.00 0.00 C ATOM 0 H PHE A 82 7.640 -29.139 -0.442 1.00 0.00 H new ATOM 0 HA PHE A 82 5.139 -30.640 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.585 -28.339 -0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.660 -28.524 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.048 -30.767 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.421 -28.667 -4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.207 -31.721 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.578 -29.617 -5.407 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.966 -31.146 -4.345 1.00 0.00 H new ATOM 1281 N SER A 83 6.020 -32.381 -1.511 1.00 0.00 N ATOM 1282 CA SER A 83 6.550 -33.450 -2.349 1.00 0.00 C ATOM 1283 C SER A 83 8.073 -33.461 -2.332 1.00 0.00 C ATOM 1284 O SER A 83 8.713 -33.759 -3.340 1.00 0.00 O ATOM 1285 CB SER A 83 6.053 -33.293 -3.773 1.00 0.00 C ATOM 1286 OG SER A 83 4.655 -33.372 -3.828 1.00 0.00 O ATOM 0 H SER A 83 5.347 -32.690 -0.809 1.00 0.00 H new ATOM 0 HA SER A 83 6.197 -34.399 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.383 -32.334 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.490 -34.069 -4.402 1.00 0.00 H new ATOM 0 HG SER A 83 4.358 -33.266 -4.756 1.00 0.00 H new ATOM 1292 N GLY A 84 8.649 -33.134 -1.180 1.00 0.00 N ATOM 1293 CA GLY A 84 10.087 -33.266 -0.977 1.00 0.00 C ATOM 1294 C GLY A 84 10.827 -32.025 -1.459 1.00 0.00 C ATOM 1295 O GLY A 84 12.048 -32.041 -1.617 1.00 0.00 O ATOM 0 H GLY A 84 8.141 -32.775 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.294 -33.428 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.454 -34.142 -1.512 1.00 0.00 H new ATOM 1299 N ARG A 85 10.081 -30.950 -1.691 1.00 0.00 N ATOM 1300 CA ARG A 85 10.672 -29.683 -2.104 1.00 0.00 C ATOM 1301 C ARG A 85 10.049 -28.514 -1.353 1.00 0.00 C ATOM 1302 O ARG A 85 8.852 -28.252 -1.474 1.00 0.00 O ATOM 1303 CB ARG A 85 10.494 -29.473 -3.601 1.00 0.00 C ATOM 1304 CG ARG A 85 11.262 -30.447 -4.479 1.00 0.00 C ATOM 1305 CD ARG A 85 12.727 -30.211 -4.411 1.00 0.00 C ATOM 1306 NE ARG A 85 13.461 -31.093 -5.304 1.00 0.00 N ATOM 1307 CZ ARG A 85 13.865 -32.339 -4.987 1.00 0.00 C ATOM 1308 NH1 ARG A 85 13.599 -32.834 -3.799 1.00 0.00 N ATOM 1309 NH2 ARG A 85 14.528 -33.063 -5.872 1.00 0.00 N ATOM 0 H ARG A 85 9.065 -30.931 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 85 11.735 -29.725 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.433 -29.549 -3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.805 -28.459 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.043 -31.468 -4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.925 -30.350 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.940 -29.174 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.072 -30.362 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 85 13.686 -30.744 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.087 -32.275 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.905 -33.777 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.734 -32.679 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.834 -34.006 -5.633 1.00 0.00 H new ATOM 1323 N ALA A 86 10.867 -27.812 -0.576 1.00 0.00 N ATOM 1324 CA ALA A 86 10.424 -26.607 0.114 1.00 0.00 C ATOM 1325 C ALA A 86 10.084 -25.499 -0.875 1.00 0.00 C ATOM 1326 O ALA A 86 10.956 -25.002 -1.587 1.00 0.00 O ATOM 1327 CB ALA A 86 11.489 -26.135 1.093 1.00 0.00 C ATOM 0 H ALA A 86 11.843 -28.058 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 86 9.519 -26.851 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.143 -25.234 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.678 -26.916 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.409 -25.916 0.552 1.00 0.00 H new ATOM 1333 N LEU A 87 8.812 -25.117 -0.913 1.00 0.00 N ATOM 1334 CA LEU A 87 8.337 -24.132 -1.878 1.00 0.00 C ATOM 1335 C LEU A 87 8.764 -22.724 -1.484 1.00 0.00 C ATOM 1336 O LEU A 87 8.691 -22.348 -0.314 1.00 0.00 O ATOM 1337 CB LEU A 87 6.809 -24.197 -1.992 1.00 0.00 C ATOM 1338 CG LEU A 87 6.238 -25.511 -2.541 1.00 0.00 C ATOM 1339 CD1 LEU A 87 4.718 -25.476 -2.464 1.00 0.00 C ATOM 1340 CD2 LEU A 87 6.708 -25.710 -3.974 1.00 0.00 C ATOM 0 H LEU A 87 8.091 -25.475 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 87 8.783 -24.368 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.382 -24.021 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.476 -23.381 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 87 6.594 -26.350 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.312 -26.409 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.409 -25.352 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.343 -24.642 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.302 -26.644 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.362 -24.879 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.797 -25.750 -3.998 1.00 0.00 H new ATOM 1352 N ARG A 88 9.209 -21.949 -2.467 1.00 0.00 N ATOM 1353 CA ARG A 88 9.534 -20.545 -2.249 1.00 0.00 C ATOM 1354 C ARG A 88 8.483 -19.633 -2.870 1.00 0.00 C ATOM 1355 O ARG A 88 8.255 -19.667 -4.079 1.00 0.00 O ATOM 1356 CB ARG A 88 10.899 -20.214 -2.834 1.00 0.00 C ATOM 1357 CG ARG A 88 11.300 -18.751 -2.734 1.00 0.00 C ATOM 1358 CD ARG A 88 12.615 -18.497 -3.375 1.00 0.00 C ATOM 1359 NE ARG A 88 12.923 -17.077 -3.437 1.00 0.00 N ATOM 1360 CZ ARG A 88 13.959 -16.548 -4.118 1.00 0.00 C ATOM 1361 NH1 ARG A 88 14.774 -17.332 -4.788 1.00 0.00 N ATOM 1362 NH2 ARG A 88 14.154 -15.241 -4.112 1.00 0.00 N ATOM 0 H ARG A 88 9.353 -22.271 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 88 9.552 -20.377 -1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.652 -20.818 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 88 10.909 -20.508 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.538 -18.132 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.343 -18.456 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.396 -19.014 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.614 -18.913 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 88 12.312 -16.437 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.622 -18.341 -4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.558 -16.932 -5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.521 -14.633 -3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.938 -14.840 -4.627 1.00 0.00 H new ATOM 1376 N VAL A 89 7.846 -18.819 -2.036 1.00 0.00 N ATOM 1377 CA VAL A 89 6.851 -17.864 -2.509 1.00 0.00 C ATOM 1378 C VAL A 89 7.223 -16.440 -2.114 1.00 0.00 C ATOM 1379 O VAL A 89 7.242 -16.099 -0.931 1.00 0.00 O ATOM 1380 CB VAL A 89 5.465 -18.208 -1.933 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.428 -17.197 -2.400 1.00 0.00 C ATOM 1382 CG2 VAL A 89 5.068 -19.617 -2.346 1.00 0.00 C ATOM 0 H VAL A 89 8.001 -18.801 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 89 6.821 -17.928 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 89 5.513 -18.164 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.454 -17.456 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.714 -16.201 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.372 -17.210 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.087 -19.854 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.031 -19.681 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.802 -20.328 -1.966 1.00 0.00 H new ATOM 1392 N ASP A 90 7.517 -15.613 -3.110 1.00 0.00 N ATOM 1393 CA ASP A 90 7.748 -14.191 -2.883 1.00 0.00 C ATOM 1394 C ASP A 90 6.756 -13.340 -3.666 1.00 0.00 C ATOM 1395 O ASP A 90 6.310 -13.726 -4.746 1.00 0.00 O ATOM 1396 CB ASP A 90 9.177 -13.810 -3.276 1.00 0.00 C ATOM 1397 CG ASP A 90 10.232 -14.551 -2.465 1.00 0.00 C ATOM 1398 OD1 ASP A 90 9.965 -14.870 -1.331 1.00 0.00 O ATOM 1399 OD2 ASP A 90 11.294 -14.791 -2.988 1.00 0.00 O ATOM 0 H ASP A 90 7.601 -15.903 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 90 7.605 -13.999 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.326 -14.021 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.311 -12.737 -3.143 1.00 0.00 H new ATOM 1404 N ASN A 91 6.414 -12.181 -3.114 1.00 0.00 N ATOM 1405 CA ASN A 91 5.491 -11.263 -3.770 1.00 0.00 C ATOM 1406 C ASN A 91 6.038 -10.797 -5.113 1.00 0.00 C ATOM 1407 O ASN A 91 7.212 -10.444 -5.227 1.00 0.00 O ATOM 1408 CB ASN A 91 5.192 -10.075 -2.874 1.00 0.00 C ATOM 1409 CG ASN A 91 4.032 -9.256 -3.368 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.164 -8.484 -4.325 1.00 0.00 O ATOM 1411 ND2 ASN A 91 2.897 -9.408 -2.734 1.00 0.00 N ATOM 0 H ASN A 91 6.763 -11.855 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 91 4.561 -11.800 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.978 -10.430 -1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.077 -9.442 -2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.075 -8.878 -3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.834 -10.057 -1.949 1.00 0.00 H new ATOM 1418 N ALA A 92 5.180 -10.797 -6.128 1.00 0.00 N ATOM 1419 CA ALA A 92 5.621 -10.595 -7.503 1.00 0.00 C ATOM 1420 C ALA A 92 6.103 -9.167 -7.723 1.00 0.00 C ATOM 1421 O ALA A 92 6.749 -8.868 -8.727 1.00 0.00 O ATOM 1422 CB ALA A 92 4.497 -10.929 -8.474 1.00 0.00 C ATOM 0 H ALA A 92 4.175 -10.935 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 92 6.460 -11.266 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.841 -10.773 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.202 -11.970 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.642 -10.283 -8.277 1.00 0.00 H new ATOM 1428 N ALA A 93 5.786 -8.289 -6.778 1.00 0.00 N ATOM 1429 CA ALA A 93 6.222 -6.899 -6.847 1.00 0.00 C ATOM 1430 C ALA A 93 7.726 -6.782 -6.631 1.00 0.00 C ATOM 1431 O ALA A 93 8.328 -5.754 -6.939 1.00 0.00 O ATOM 1432 CB ALA A 93 5.474 -6.058 -5.823 1.00 0.00 C ATOM 0 H ALA A 93 5.228 -8.515 -5.954 1.00 0.00 H new ATOM 0 HA ALA A 93 5.995 -6.524 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.810 -5.023 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.404 -6.105 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.671 -6.443 -4.822 1.00 0.00 H new ATOM 1438 N SER A 94 8.326 -7.842 -6.101 1.00 0.00 N ATOM 1439 CA SER A 94 9.763 -7.864 -5.853 1.00 0.00 C ATOM 1440 C SER A 94 10.548 -7.748 -7.154 1.00 0.00 C ATOM 1441 O SER A 94 10.425 -8.592 -8.042 1.00 0.00 O ATOM 1442 CB SER A 94 10.149 -9.140 -5.131 1.00 0.00 C ATOM 1443 OG SER A 94 11.542 -9.286 -5.078 1.00 0.00 O ATOM 0 H SER A 94 7.839 -8.698 -5.835 1.00 0.00 H new ATOM 0 HA SER A 94 10.009 -7.006 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.743 -9.127 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.709 -9.997 -5.640 1.00 0.00 H new ATOM 0 HG SER A 94 11.772 -10.239 -5.088 1.00 0.00 H new ATOM 1449 N GLU A 95 11.355 -6.698 -7.260 1.00 0.00 N ATOM 1450 CA GLU A 95 12.187 -6.488 -8.439 1.00 0.00 C ATOM 1451 C GLU A 95 13.336 -7.488 -8.488 1.00 0.00 C ATOM 1452 O GLU A 95 13.791 -7.873 -9.565 1.00 0.00 O ATOM 1453 CB GLU A 95 12.739 -5.061 -8.455 1.00 0.00 C ATOM 1454 CG GLU A 95 11.681 -3.979 -8.622 1.00 0.00 C ATOM 1455 CD GLU A 95 10.934 -4.087 -9.922 1.00 0.00 C ATOM 1456 OE1 GLU A 95 11.569 -4.211 -10.941 1.00 0.00 O ATOM 1457 OE2 GLU A 95 9.726 -4.046 -9.895 1.00 0.00 O ATOM 0 H GLU A 95 11.451 -5.979 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 95 11.562 -6.640 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.279 -4.883 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.462 -4.973 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.973 -4.040 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.157 -3.000 -8.562 1.00 0.00 H new ATOM 1464 N LYS A 96 13.801 -7.905 -7.315 1.00 0.00 N ATOM 1465 CA LYS A 96 14.867 -8.895 -7.222 1.00 0.00 C ATOM 1466 C LYS A 96 14.426 -10.235 -7.797 1.00 0.00 C ATOM 1467 O LYS A 96 15.206 -10.929 -8.448 1.00 0.00 O ATOM 1468 CB LYS A 96 15.313 -9.066 -5.769 1.00 0.00 C ATOM 1469 CG LYS A 96 16.071 -7.875 -5.199 1.00 0.00 C ATOM 1470 CD LYS A 96 16.465 -8.113 -3.749 1.00 0.00 C ATOM 1471 CE LYS A 96 17.215 -6.920 -3.175 1.00 0.00 C ATOM 1472 NZ LYS A 96 17.573 -7.123 -1.745 1.00 0.00 N ATOM 0 H LYS A 96 13.456 -7.572 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 96 15.710 -8.534 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.434 -9.251 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.945 -9.951 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.965 -7.691 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.452 -6.981 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.572 -8.304 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.089 -9.004 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.122 -6.748 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.601 -6.025 -3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.082 -6.288 -1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.707 -7.261 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.181 -7.962 -1.655 1.00 0.00 H new ATOM 1486 N ASN A 97 13.170 -10.593 -7.551 1.00 0.00 N ATOM 1487 CA ASN A 97 12.608 -11.828 -8.085 1.00 0.00 C ATOM 1488 C ASN A 97 12.402 -11.734 -9.591 1.00 0.00 C ATOM 1489 O ASN A 97 12.506 -12.731 -10.305 1.00 0.00 O ATOM 1490 CB ASN A 97 11.302 -12.165 -7.388 1.00 0.00 C ATOM 1491 CG ASN A 97 11.510 -12.683 -5.992 1.00 0.00 C ATOM 1492 OD1 ASN A 97 11.630 -11.904 -5.039 1.00 0.00 O ATOM 1493 ND2 ASN A 97 11.553 -13.983 -5.851 1.00 0.00 N ATOM 0 H ASN A 97 12.522 -10.045 -6.985 1.00 0.00 H new ATOM 0 HA ASN A 97 13.321 -12.630 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 97 10.673 -11.275 -7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.764 -12.912 -7.973 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.690 -14.391 -4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.449 -14.588 -6.666 1.00 0.00 H new ATOM 1500 N LYS A 98 12.111 -10.529 -10.069 1.00 0.00 N ATOM 1501 CA LYS A 98 12.046 -10.268 -11.502 1.00 0.00 C ATOM 1502 C LYS A 98 13.400 -10.491 -12.164 1.00 0.00 C ATOM 1503 O LYS A 98 13.480 -11.011 -13.277 1.00 0.00 O ATOM 1504 CB LYS A 98 11.560 -8.842 -11.766 1.00 0.00 C ATOM 1505 CG LYS A 98 10.094 -8.604 -11.428 1.00 0.00 C ATOM 1506 CD LYS A 98 9.693 -7.162 -11.695 1.00 0.00 C ATOM 1507 CE LYS A 98 8.261 -6.894 -11.255 1.00 0.00 C ATOM 1508 NZ LYS A 98 7.871 -5.473 -11.462 1.00 0.00 N ATOM 0 H LYS A 98 11.916 -9.717 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 98 11.334 -10.970 -11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.171 -8.150 -11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.721 -8.605 -12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.469 -9.273 -12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.916 -8.845 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.370 -6.491 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.795 -6.945 -12.758 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.583 -7.541 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.152 -7.150 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.920 -5.314 -11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.552 -4.852 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.868 -5.258 -12.480 1.00 0.00 H new ATOM 1522 N GLU A 99 14.463 -10.094 -11.473 1.00 0.00 N ATOM 1523 CA GLU A 99 15.819 -10.292 -11.971 1.00 0.00 C ATOM 1524 C GLU A 99 16.175 -11.772 -12.026 1.00 0.00 C ATOM 1525 O GLU A 99 16.898 -12.214 -12.919 1.00 0.00 O ATOM 1526 CB GLU A 99 16.825 -9.548 -11.091 1.00 0.00 C ATOM 1527 CG GLU A 99 16.742 -8.031 -11.185 1.00 0.00 C ATOM 1528 CD GLU A 99 17.034 -7.513 -12.566 1.00 0.00 C ATOM 1529 OE1 GLU A 99 18.013 -7.927 -13.140 1.00 0.00 O ATOM 1530 OE2 GLU A 99 16.278 -6.703 -13.047 1.00 0.00 O ATOM 0 H GLU A 99 14.411 -9.632 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 99 15.863 -9.890 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.671 -9.844 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.832 -9.862 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.745 -7.707 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.447 -7.589 -10.480 1.00 0.00 H new ATOM 1537 N GLU A 100 15.663 -12.535 -11.066 1.00 0.00 N ATOM 1538 CA GLU A 100 15.798 -13.986 -11.086 1.00 0.00 C ATOM 1539 C GLU A 100 15.118 -14.586 -12.310 1.00 0.00 C ATOM 1540 O GLU A 100 15.661 -15.482 -12.957 1.00 0.00 O ATOM 1541 CB GLU A 100 15.207 -14.595 -9.813 1.00 0.00 C ATOM 1542 CG GLU A 100 16.019 -14.328 -8.553 1.00 0.00 C ATOM 1543 CD GLU A 100 15.373 -14.881 -7.313 1.00 0.00 C ATOM 1544 OE1 GLU A 100 14.203 -15.178 -7.357 1.00 0.00 O ATOM 1545 OE2 GLU A 100 16.050 -15.006 -6.320 1.00 0.00 O ATOM 0 H GLU A 100 15.150 -12.171 -10.263 1.00 0.00 H new ATOM 0 HA GLU A 100 16.861 -14.220 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.200 -14.204 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.114 -15.672 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.011 -14.766 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.157 -13.253 -8.436 1.00 0.00 H new ATOM 1552 N LEU A 101 13.927 -14.086 -12.623 1.00 0.00 N ATOM 1553 CA LEU A 101 13.192 -14.538 -13.798 1.00 0.00 C ATOM 1554 C LEU A 101 13.961 -14.239 -15.078 1.00 0.00 C ATOM 1555 O LEU A 101 13.924 -15.016 -16.032 1.00 0.00 O ATOM 1556 CB LEU A 101 11.814 -13.866 -13.852 1.00 0.00 C ATOM 1557 CG LEU A 101 10.813 -14.313 -12.779 1.00 0.00 C ATOM 1558 CD1 LEU A 101 9.574 -13.430 -12.842 1.00 0.00 C ATOM 1559 CD2 LEU A 101 10.455 -15.775 -12.997 1.00 0.00 C ATOM 0 H LEU A 101 13.450 -13.367 -12.079 1.00 0.00 H new ATOM 0 HA LEU A 101 13.065 -15.618 -13.718 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.952 -12.788 -13.767 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.376 -14.055 -14.832 1.00 0.00 H new ATOM 0 HG LEU A 101 11.257 -14.212 -11.789 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.862 -13.747 -12.080 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.857 -12.392 -12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.114 -13.518 -13.826 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.744 -16.093 -12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.008 -15.897 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.356 -16.384 -12.929 1.00 0.00 H new ATOM 1571 N LYS A 102 14.657 -13.107 -15.093 1.00 0.00 N ATOM 1572 CA LYS A 102 15.492 -12.736 -16.229 1.00 0.00 C ATOM 1573 C LYS A 102 16.615 -13.744 -16.439 1.00 0.00 C ATOM 1574 O LYS A 102 16.926 -14.115 -17.571 1.00 0.00 O ATOM 1575 CB LYS A 102 16.074 -11.335 -16.032 1.00 0.00 C ATOM 1576 CG LYS A 102 15.054 -10.210 -16.142 1.00 0.00 C ATOM 1577 CD LYS A 102 15.698 -8.854 -15.895 1.00 0.00 C ATOM 1578 CE LYS A 102 14.667 -7.735 -15.931 1.00 0.00 C ATOM 1579 NZ LYS A 102 15.274 -6.409 -15.635 1.00 0.00 N ATOM 0 H LYS A 102 14.659 -12.430 -14.330 1.00 0.00 H new ATOM 0 HA LYS A 102 14.863 -12.736 -17.119 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.547 -11.286 -15.051 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.857 -11.173 -16.772 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.599 -10.224 -17.133 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.253 -10.371 -15.421 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.199 -8.858 -14.927 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.463 -8.670 -16.649 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.196 -7.707 -16.914 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.880 -7.944 -15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.535 -5.677 -15.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.716 -6.432 -14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.996 -6.190 -16.351 1.00 0.00 H new ATOM 1593 N SER A 103 17.220 -14.185 -15.342 1.00 0.00 N ATOM 1594 CA SER A 103 18.290 -15.174 -15.402 1.00 0.00 C ATOM 1595 C SER A 103 17.745 -16.555 -15.744 1.00 0.00 C ATOM 1596 O SER A 103 18.451 -17.388 -16.314 1.00 0.00 O ATOM 1597 CB SER A 103 19.028 -15.226 -14.078 1.00 0.00 C ATOM 1598 OG SER A 103 18.221 -15.780 -13.075 1.00 0.00 O ATOM 0 H SER A 103 16.987 -13.873 -14.399 1.00 0.00 H new ATOM 0 HA SER A 103 18.981 -14.874 -16.190 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.937 -15.818 -14.187 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.335 -14.221 -13.789 1.00 0.00 H new ATOM 0 HG SER A 103 17.286 -15.534 -13.234 1.00 0.00 H new ATOM 1604 N LEU A 104 16.485 -16.792 -15.395 1.00 0.00 N ATOM 1605 CA LEU A 104 15.803 -18.022 -15.776 1.00 0.00 C ATOM 1606 C LEU A 104 15.406 -17.999 -17.246 1.00 0.00 C ATOM 1607 O LEU A 104 15.358 -19.039 -17.903 1.00 0.00 O ATOM 1608 CB LEU A 104 14.556 -18.228 -14.906 1.00 0.00 C ATOM 1609 CG LEU A 104 14.820 -18.548 -13.430 1.00 0.00 C ATOM 1610 CD1 LEU A 104 13.509 -18.503 -12.657 1.00 0.00 C ATOM 1611 CD2 LEU A 104 15.475 -19.917 -13.316 1.00 0.00 C ATOM 0 H LEU A 104 15.915 -16.147 -14.848 1.00 0.00 H new ATOM 0 HA LEU A 104 16.494 -18.850 -15.620 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.945 -17.327 -14.960 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.966 -19.038 -15.335 1.00 0.00 H new ATOM 0 HG LEU A 104 15.496 -17.807 -13.004 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.697 -18.731 -11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.072 -17.508 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.818 -19.238 -13.069 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.663 -20.144 -12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.813 -20.673 -13.738 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.419 -19.915 -13.861 1.00 0.00 H new ATOM 1623 N GLY A 105 15.120 -16.806 -17.758 1.00 0.00 N ATOM 1624 CA GLY A 105 14.733 -16.645 -19.155 1.00 0.00 C ATOM 1625 C GLY A 105 13.248 -16.919 -19.350 1.00 0.00 C ATOM 1626 O GLY A 105 12.843 -17.518 -20.346 1.00 0.00 O ATOM 0 H GLY A 105 15.149 -15.936 -17.226 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.965 -15.632 -19.485 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.316 -17.324 -19.777 1.00 0.00 H new ATOM 1630 N THR A 106 12.439 -16.476 -18.393 1.00 0.00 N ATOM 1631 CA THR A 106 10.999 -16.696 -18.444 1.00 0.00 C ATOM 1632 C THR A 106 10.242 -15.539 -17.806 1.00 0.00 C ATOM 1633 O THR A 106 10.770 -14.841 -16.940 1.00 0.00 O ATOM 1634 CB THR A 106 10.614 -18.014 -17.747 1.00 0.00 C ATOM 1635 OG1 THR A 106 9.216 -18.269 -17.941 1.00 0.00 O ATOM 1636 CG2 THR A 106 10.909 -17.935 -16.257 1.00 0.00 C ATOM 0 H THR A 106 12.757 -15.962 -17.572 1.00 0.00 H new ATOM 0 HA THR A 106 10.720 -16.760 -19.496 1.00 0.00 H new ATOM 0 HB THR A 106 11.202 -18.823 -18.181 1.00 0.00 H new ATOM 0 HG1 THR A 106 9.078 -19.224 -18.111 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.631 -18.875 -15.781 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.973 -17.753 -16.106 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.335 -17.121 -15.815 1.00 0.00 H new ATOM 1644 N GLY A 107 9.001 -15.340 -18.238 1.00 0.00 N ATOM 1645 CA GLY A 107 8.167 -14.269 -17.705 1.00 0.00 C ATOM 1646 C GLY A 107 6.866 -14.143 -18.488 1.00 0.00 C ATOM 1647 O GLY A 107 5.957 -14.895 -18.267 1.00 0.00 O ATOM 0 H GLY A 107 8.550 -15.907 -18.956 1.00 0.00 H new ATOM 0 HA2 GLY A 107 7.946 -14.465 -16.656 1.00 0.00 H new ATOM 0 HA3 GLY A 107 8.712 -13.326 -17.745 1.00 0.00 H new TER 1651 GLY A 107