USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.961 (180deg=0.857) USER MOD Single : A 2 ASN : amide:sc= 0.303 K(o=0.3,f=-8.9!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc=-0.00483 K(o=-0.0048,f=-1.5) USER MOD Single : A 15 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-10!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.336 K(o=-0.34,f=-0.87) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.977) USER MOD Single : A 27 SER OG : rot 60:sc= -1.43 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.13) USER MOD Single : A 38 LYS NZ :NH3+ -117:sc= 0.0018 (180deg=0) USER MOD Single : A 39 SER OG : rot 72:sc= 0.432 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.136 F(o=-1.6!,f=-0.14) USER MOD Single : A 49 THR OG1 : rot 72:sc= 0.607 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 1.23 (180deg=0.867) USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= 1.8 (180deg=1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 68 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.5) USER MOD Single : A 71 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.94) USER MOD Single : A 80 GLN :FLIP amide:sc= -1.31 F(o=-4.6!,f=-1.3) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HE2:sc= 0.874 K(o=0.87,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.863 -0.990 -12.995 1.00 3.04 N ATOM 2 CA MET A 1 -8.125 -2.137 -13.891 1.00 2.40 C ATOM 3 C MET A 1 -8.755 -3.281 -13.099 1.00 63.44 C ATOM 4 O MET A 1 -9.955 -3.268 -12.828 1.00 72.21 O ATOM 5 CB MET A 1 -6.829 -2.593 -14.575 1.00 11.44 C ATOM 6 CG MET A 1 -7.039 -3.620 -15.675 1.00 72.51 C ATOM 7 SD MET A 1 -5.484 -4.187 -16.395 1.00 11.04 S ATOM 8 CE MET A 1 -6.081 -5.362 -17.610 1.00 20.43 C ATOM 0 H1 MET A 1 -7.216 -0.324 -13.464 1.00 3.04 H new ATOM 0 H2 MET A 1 -8.758 -0.508 -12.778 1.00 3.04 H new ATOM 0 H3 MET A 1 -7.430 -1.330 -12.113 1.00 3.04 H new ATOM 0 HA MET A 1 -8.823 -1.827 -14.669 1.00 2.40 H new ATOM 0 HB2 MET A 1 -6.327 -1.722 -14.996 1.00 11.44 H new ATOM 0 HB3 MET A 1 -6.161 -3.013 -13.823 1.00 11.44 H new ATOM 0 HG2 MET A 1 -7.582 -4.475 -15.271 1.00 72.51 H new ATOM 0 HG3 MET A 1 -7.662 -3.187 -16.458 1.00 72.51 H new ATOM 0 HE1 MET A 1 -5.235 -5.799 -18.140 1.00 20.43 H new ATOM 0 HE2 MET A 1 -6.642 -6.151 -17.109 1.00 20.43 H new ATOM 0 HE3 MET A 1 -6.730 -4.852 -18.322 1.00 20.43 H new ATOM 20 N ASN A 2 -7.941 -4.258 -12.715 1.00 3.10 N ATOM 21 CA ASN A 2 -8.400 -5.356 -11.874 1.00 13.14 C ATOM 22 C ASN A 2 -7.800 -5.207 -10.486 1.00 72.41 C ATOM 23 O ASN A 2 -6.597 -5.408 -10.305 1.00 10.53 O ATOM 24 CB ASN A 2 -8.010 -6.706 -12.487 1.00 12.13 C ATOM 25 CG ASN A 2 -8.341 -7.874 -11.575 1.00 51.44 C ATOM 26 OD1 ASN A 2 -7.519 -8.291 -10.764 1.00 34.31 O ATOM 27 ND2 ASN A 2 -9.541 -8.410 -11.705 1.00 63.13 N ATOM 0 H ASN A 2 -6.956 -4.311 -12.974 1.00 3.10 H new ATOM 0 HA ASN A 2 -9.487 -5.323 -11.802 1.00 13.14 H new ATOM 0 HB2 ASN A 2 -8.528 -6.833 -13.438 1.00 12.13 H new ATOM 0 HB3 ASN A 2 -6.942 -6.709 -12.703 1.00 12.13 H new ATOM 0 HD21 ASN A 2 -9.813 -9.200 -11.119 1.00 63.13 H new ATOM 0 HD22 ASN A 2 -10.196 -8.034 -12.391 1.00 63.13 H new ATOM 34 N VAL A 3 -8.634 -4.858 -9.513 1.00 0.25 N ATOM 35 CA VAL A 3 -8.154 -4.513 -8.178 1.00 44.31 C ATOM 36 C VAL A 3 -7.438 -5.688 -7.513 1.00 42.31 C ATOM 37 O VAL A 3 -6.511 -5.493 -6.732 1.00 5.11 O ATOM 38 CB VAL A 3 -9.303 -4.010 -7.269 1.00 25.44 C ATOM 39 CG1 VAL A 3 -10.268 -5.129 -6.914 1.00 50.11 C ATOM 40 CG2 VAL A 3 -8.746 -3.352 -6.013 1.00 63.15 C ATOM 0 H VAL A 3 -9.647 -4.806 -9.623 1.00 0.25 H new ATOM 0 HA VAL A 3 -7.437 -3.702 -8.306 1.00 44.31 H new ATOM 0 HB VAL A 3 -9.864 -3.262 -7.829 1.00 25.44 H new ATOM 0 HG11 VAL A 3 -11.060 -4.738 -6.276 1.00 50.11 H new ATOM 0 HG12 VAL A 3 -10.705 -5.536 -7.826 1.00 50.11 H new ATOM 0 HG13 VAL A 3 -9.732 -5.917 -6.385 1.00 50.11 H new ATOM 0 HG21 VAL A 3 -9.569 -3.006 -5.388 1.00 63.15 H new ATOM 0 HG22 VAL A 3 -8.148 -4.075 -5.458 1.00 63.15 H new ATOM 0 HG23 VAL A 3 -8.121 -2.504 -6.293 1.00 63.15 H new ATOM 50 N ASP A 4 -7.845 -6.903 -7.849 1.00 52.32 N ATOM 51 CA ASP A 4 -7.239 -8.098 -7.272 1.00 61.13 C ATOM 52 C ASP A 4 -5.764 -8.184 -7.655 1.00 0.31 C ATOM 53 O ASP A 4 -4.900 -8.419 -6.810 1.00 54.44 O ATOM 54 CB ASP A 4 -7.993 -9.344 -7.733 1.00 53.51 C ATOM 55 CG ASP A 4 -7.469 -10.619 -7.101 1.00 54.24 C ATOM 56 OD1 ASP A 4 -7.539 -10.741 -5.859 1.00 70.13 O ATOM 57 OD2 ASP A 4 -7.002 -11.508 -7.847 1.00 63.30 O ATOM 0 H ASP A 4 -8.592 -7.089 -8.518 1.00 52.32 H new ATOM 0 HA ASP A 4 -7.305 -8.037 -6.186 1.00 61.13 H new ATOM 0 HB2 ASP A 4 -9.050 -9.233 -7.492 1.00 53.51 H new ATOM 0 HB3 ASP A 4 -7.921 -9.426 -8.818 1.00 53.51 H new ATOM 62 N HIS A 5 -5.480 -7.959 -8.935 1.00 32.40 N ATOM 63 CA HIS A 5 -4.106 -7.912 -9.422 1.00 61.22 C ATOM 64 C HIS A 5 -3.396 -6.666 -8.896 1.00 43.22 C ATOM 65 O HIS A 5 -2.188 -6.682 -8.652 1.00 22.43 O ATOM 66 CB HIS A 5 -4.078 -7.926 -10.958 1.00 33.55 C ATOM 67 CG HIS A 5 -2.702 -7.785 -11.544 1.00 11.35 C ATOM 68 ND1 HIS A 5 -2.265 -6.638 -12.177 1.00 12.25 N ATOM 69 CD2 HIS A 5 -1.665 -8.654 -11.592 1.00 30.33 C ATOM 70 CE1 HIS A 5 -1.021 -6.811 -12.586 1.00 54.14 C ATOM 71 NE2 HIS A 5 -0.635 -8.024 -12.243 1.00 41.32 N ATOM 0 H HIS A 5 -6.186 -7.806 -9.655 1.00 32.40 H new ATOM 0 HA HIS A 5 -3.583 -8.795 -9.055 1.00 61.22 H new ATOM 0 HB2 HIS A 5 -4.519 -8.858 -11.311 1.00 33.55 H new ATOM 0 HB3 HIS A 5 -4.705 -7.116 -11.330 1.00 33.55 H new ATOM 0 HD2 HIS A 5 -1.651 -9.657 -11.192 1.00 30.33 H new ATOM 0 HE1 HIS A 5 -0.422 -6.082 -13.112 1.00 54.14 H new ATOM 0 HE2 HIS A 5 0.282 -8.429 -12.431 1.00 41.32 H new ATOM 80 N GLU A 6 -4.150 -5.587 -8.726 1.00 52.32 N ATOM 81 CA GLU A 6 -3.592 -4.330 -8.240 1.00 70.23 C ATOM 82 C GLU A 6 -3.134 -4.460 -6.785 1.00 43.34 C ATOM 83 O GLU A 6 -2.195 -3.788 -6.365 1.00 43.32 O ATOM 84 CB GLU A 6 -4.602 -3.188 -8.403 1.00 10.15 C ATOM 85 CG GLU A 6 -4.908 -2.873 -9.862 1.00 3.42 C ATOM 86 CD GLU A 6 -5.873 -1.716 -10.048 1.00 31.32 C ATOM 87 OE1 GLU A 6 -5.526 -0.581 -9.672 1.00 20.44 O ATOM 88 OE2 GLU A 6 -6.970 -1.931 -10.611 1.00 3.10 O ATOM 0 H GLU A 6 -5.151 -5.557 -8.918 1.00 52.32 H new ATOM 0 HA GLU A 6 -2.716 -4.092 -8.843 1.00 70.23 H new ATOM 0 HB2 GLU A 6 -5.528 -3.452 -7.891 1.00 10.15 H new ATOM 0 HB3 GLU A 6 -4.213 -2.293 -7.917 1.00 10.15 H new ATOM 0 HG2 GLU A 6 -3.976 -2.643 -10.378 1.00 3.42 H new ATOM 0 HG3 GLU A 6 -5.324 -3.762 -10.337 1.00 3.42 H new ATOM 95 N VAL A 7 -3.790 -5.333 -6.024 1.00 65.41 N ATOM 96 CA VAL A 7 -3.367 -5.629 -4.654 1.00 2.23 C ATOM 97 C VAL A 7 -1.962 -6.233 -4.645 1.00 21.02 C ATOM 98 O VAL A 7 -1.106 -5.836 -3.853 1.00 1.00 O ATOM 99 CB VAL A 7 -4.344 -6.598 -3.944 1.00 14.23 C ATOM 100 CG1 VAL A 7 -3.825 -6.989 -2.568 1.00 13.33 C ATOM 101 CG2 VAL A 7 -5.727 -5.976 -3.829 1.00 25.53 C ATOM 0 H VAL A 7 -4.615 -5.848 -6.331 1.00 65.41 H new ATOM 0 HA VAL A 7 -3.366 -4.684 -4.110 1.00 2.23 H new ATOM 0 HB VAL A 7 -4.417 -7.501 -4.549 1.00 14.23 H new ATOM 0 HG11 VAL A 7 -4.531 -7.670 -2.093 1.00 13.33 H new ATOM 0 HG12 VAL A 7 -2.858 -7.482 -2.670 1.00 13.33 H new ATOM 0 HG13 VAL A 7 -3.713 -6.095 -1.954 1.00 13.33 H new ATOM 0 HG21 VAL A 7 -6.399 -6.673 -3.327 1.00 25.53 H new ATOM 0 HG22 VAL A 7 -5.664 -5.053 -3.252 1.00 25.53 H new ATOM 0 HG23 VAL A 7 -6.111 -5.756 -4.825 1.00 25.53 H new ATOM 111 N ASN A 8 -1.728 -7.183 -5.544 1.00 42.02 N ATOM 112 CA ASN A 8 -0.419 -7.820 -5.679 1.00 13.33 C ATOM 113 C ASN A 8 0.614 -6.816 -6.177 1.00 51.51 C ATOM 114 O ASN A 8 1.799 -6.909 -5.855 1.00 21.30 O ATOM 115 CB ASN A 8 -0.496 -9.013 -6.639 1.00 41.20 C ATOM 116 CG ASN A 8 -1.231 -10.208 -6.055 1.00 44.01 C ATOM 117 OD1 ASN A 8 -2.085 -10.064 -5.181 1.00 54.01 O ATOM 118 ND2 ASN A 8 -0.912 -11.397 -6.546 1.00 60.12 N ATOM 0 H ASN A 8 -2.432 -7.532 -6.195 1.00 42.02 H new ATOM 0 HA ASN A 8 -0.113 -8.181 -4.697 1.00 13.33 H new ATOM 0 HB2 ASN A 8 -0.995 -8.701 -7.556 1.00 41.20 H new ATOM 0 HB3 ASN A 8 0.515 -9.315 -6.913 1.00 41.20 H new ATOM 0 HD21 ASN A 8 -1.380 -12.234 -6.199 1.00 60.12 H new ATOM 0 HD22 ASN A 8 -0.198 -11.475 -7.270 1.00 60.12 H new ATOM 125 N LEU A 9 0.161 -5.857 -6.971 1.00 33.14 N ATOM 126 CA LEU A 9 1.019 -4.775 -7.412 1.00 4.13 C ATOM 127 C LEU A 9 1.372 -3.887 -6.222 1.00 33.25 C ATOM 128 O LEU A 9 2.519 -3.471 -6.059 1.00 0.54 O ATOM 129 CB LEU A 9 0.320 -3.961 -8.502 1.00 62.24 C ATOM 130 CG LEU A 9 1.107 -2.765 -9.018 1.00 74.20 C ATOM 131 CD1 LEU A 9 2.356 -3.223 -9.754 1.00 14.11 C ATOM 132 CD2 LEU A 9 0.234 -1.912 -9.917 1.00 14.42 C ATOM 0 H LEU A 9 -0.796 -5.809 -7.321 1.00 33.14 H new ATOM 0 HA LEU A 9 1.937 -5.188 -7.829 1.00 4.13 H new ATOM 0 HB2 LEU A 9 0.099 -4.621 -9.341 1.00 62.24 H new ATOM 0 HB3 LEU A 9 -0.635 -3.608 -8.114 1.00 62.24 H new ATOM 0 HG LEU A 9 1.420 -2.160 -8.167 1.00 74.20 H new ATOM 0 HD11 LEU A 9 2.905 -2.353 -10.115 1.00 14.11 H new ATOM 0 HD12 LEU A 9 2.989 -3.795 -9.076 1.00 14.11 H new ATOM 0 HD13 LEU A 9 2.071 -3.849 -10.600 1.00 14.11 H new ATOM 0 HD21 LEU A 9 0.809 -1.060 -10.280 1.00 14.42 H new ATOM 0 HD22 LEU A 9 -0.107 -2.507 -10.764 1.00 14.42 H new ATOM 0 HD23 LEU A 9 -0.629 -1.555 -9.354 1.00 14.42 H new ATOM 144 N LEU A 10 0.374 -3.630 -5.382 1.00 51.14 N ATOM 145 CA LEU A 10 0.546 -2.815 -4.187 1.00 62.32 C ATOM 146 C LEU A 10 1.606 -3.412 -3.273 1.00 42.22 C ATOM 147 O LEU A 10 2.550 -2.731 -2.880 1.00 54.22 O ATOM 148 CB LEU A 10 -0.784 -2.709 -3.433 1.00 25.02 C ATOM 149 CG LEU A 10 -0.771 -1.815 -2.191 1.00 61.53 C ATOM 150 CD1 LEU A 10 -0.593 -0.357 -2.582 1.00 1.32 C ATOM 151 CD2 LEU A 10 -2.048 -2.006 -1.384 1.00 34.24 C ATOM 0 H LEU A 10 -0.575 -3.981 -5.511 1.00 51.14 H new ATOM 0 HA LEU A 10 0.872 -1.821 -4.494 1.00 62.32 H new ATOM 0 HB2 LEU A 10 -1.542 -2.334 -4.121 1.00 25.02 H new ATOM 0 HB3 LEU A 10 -1.092 -3.711 -3.134 1.00 25.02 H new ATOM 0 HG LEU A 10 0.075 -2.104 -1.567 1.00 61.53 H new ATOM 0 HD11 LEU A 10 -0.586 0.262 -1.685 1.00 1.32 H new ATOM 0 HD12 LEU A 10 0.351 -0.235 -3.114 1.00 1.32 H new ATOM 0 HD13 LEU A 10 -1.416 -0.051 -3.228 1.00 1.32 H new ATOM 0 HD21 LEU A 10 -2.022 -1.363 -0.504 1.00 34.24 H new ATOM 0 HD22 LEU A 10 -2.909 -1.745 -1.999 1.00 34.24 H new ATOM 0 HD23 LEU A 10 -2.128 -3.047 -1.070 1.00 34.24 H new ATOM 163 N VAL A 11 1.455 -4.695 -2.958 1.00 65.35 N ATOM 164 CA VAL A 11 2.376 -5.367 -2.046 1.00 22.32 C ATOM 165 C VAL A 11 3.796 -5.378 -2.610 1.00 64.42 C ATOM 166 O VAL A 11 4.772 -5.332 -1.859 1.00 52.20 O ATOM 167 CB VAL A 11 1.918 -6.809 -1.715 1.00 22.44 C ATOM 168 CG1 VAL A 11 0.513 -6.789 -1.145 1.00 53.03 C ATOM 169 CG2 VAL A 11 1.984 -7.720 -2.929 1.00 63.25 C ATOM 0 H VAL A 11 0.708 -5.288 -3.319 1.00 65.35 H new ATOM 0 HA VAL A 11 2.373 -4.798 -1.117 1.00 22.32 H new ATOM 0 HB VAL A 11 2.605 -7.212 -0.970 1.00 22.44 H new ATOM 0 HG11 VAL A 11 0.199 -7.807 -0.915 1.00 53.03 H new ATOM 0 HG12 VAL A 11 0.498 -6.190 -0.234 1.00 53.03 H new ATOM 0 HG13 VAL A 11 -0.170 -6.355 -1.875 1.00 53.03 H new ATOM 0 HG21 VAL A 11 1.654 -8.721 -2.651 1.00 63.25 H new ATOM 0 HG22 VAL A 11 1.336 -7.329 -3.713 1.00 63.25 H new ATOM 0 HG23 VAL A 11 3.010 -7.765 -3.295 1.00 63.25 H new ATOM 179 N GLU A 12 3.905 -5.417 -3.937 1.00 40.12 N ATOM 180 CA GLU A 12 5.198 -5.347 -4.597 1.00 62.32 C ATOM 181 C GLU A 12 5.810 -3.963 -4.455 1.00 62.02 C ATOM 182 O GLU A 12 6.958 -3.836 -4.039 1.00 1.12 O ATOM 183 CB GLU A 12 5.069 -5.733 -6.067 1.00 15.35 C ATOM 184 CG GLU A 12 5.197 -7.225 -6.294 1.00 3.24 C ATOM 185 CD GLU A 12 6.621 -7.644 -6.592 1.00 33.41 C ATOM 186 OE1 GLU A 12 7.173 -7.204 -7.621 1.00 2.41 O ATOM 187 OE2 GLU A 12 7.194 -8.415 -5.800 1.00 41.23 O ATOM 0 H GLU A 12 3.111 -5.497 -4.572 1.00 40.12 H new ATOM 0 HA GLU A 12 5.865 -6.059 -4.111 1.00 62.32 H new ATOM 0 HB2 GLU A 12 4.104 -5.394 -6.444 1.00 15.35 H new ATOM 0 HB3 GLU A 12 5.836 -5.215 -6.643 1.00 15.35 H new ATOM 0 HG2 GLU A 12 4.842 -7.756 -5.410 1.00 3.24 H new ATOM 0 HG3 GLU A 12 4.553 -7.520 -7.123 1.00 3.24 H new ATOM 194 N GLU A 13 5.034 -2.934 -4.766 1.00 60.11 N ATOM 195 CA GLU A 13 5.510 -1.561 -4.659 1.00 52.41 C ATOM 196 C GLU A 13 5.893 -1.229 -3.223 1.00 23.10 C ATOM 197 O GLU A 13 6.908 -0.584 -2.978 1.00 74.22 O ATOM 198 CB GLU A 13 4.450 -0.583 -5.164 1.00 23.34 C ATOM 199 CG GLU A 13 4.209 -0.676 -6.664 1.00 3.32 C ATOM 200 CD GLU A 13 5.444 -0.330 -7.476 1.00 23.54 C ATOM 201 OE1 GLU A 13 6.410 -1.125 -7.470 1.00 12.44 O ATOM 202 OE2 GLU A 13 5.457 0.736 -8.119 1.00 55.32 O ATOM 0 H GLU A 13 4.072 -3.023 -5.094 1.00 60.11 H new ATOM 0 HA GLU A 13 6.399 -1.464 -5.282 1.00 52.41 H new ATOM 0 HB2 GLU A 13 3.513 -0.772 -4.640 1.00 23.34 H new ATOM 0 HB3 GLU A 13 4.755 0.433 -4.915 1.00 23.34 H new ATOM 0 HG2 GLU A 13 3.885 -1.686 -6.914 1.00 3.32 H new ATOM 0 HG3 GLU A 13 3.397 -0.003 -6.940 1.00 3.32 H new ATOM 209 N ILE A 14 5.087 -1.691 -2.276 1.00 31.31 N ATOM 210 CA ILE A 14 5.361 -1.468 -0.862 1.00 24.52 C ATOM 211 C ILE A 14 6.708 -2.064 -0.462 1.00 74.50 C ATOM 212 O ILE A 14 7.540 -1.381 0.128 1.00 73.00 O ATOM 213 CB ILE A 14 4.246 -2.058 0.029 1.00 1.34 C ATOM 214 CG1 ILE A 14 2.946 -1.288 -0.198 1.00 72.43 C ATOM 215 CG2 ILE A 14 4.640 -2.015 1.502 1.00 3.31 C ATOM 216 CD1 ILE A 14 1.750 -1.890 0.500 1.00 73.30 C ATOM 0 H ILE A 14 4.237 -2.223 -2.462 1.00 31.31 H new ATOM 0 HA ILE A 14 5.393 -0.389 -0.709 1.00 24.52 H new ATOM 0 HB ILE A 14 4.098 -3.102 -0.245 1.00 1.34 H new ATOM 0 HG12 ILE A 14 3.078 -0.262 0.147 1.00 72.43 H new ATOM 0 HG13 ILE A 14 2.745 -1.241 -1.268 1.00 72.43 H new ATOM 0 HG21 ILE A 14 3.837 -2.437 2.106 1.00 3.31 H new ATOM 0 HG22 ILE A 14 5.550 -2.596 1.652 1.00 3.31 H new ATOM 0 HG23 ILE A 14 4.815 -0.982 1.802 1.00 3.31 H new ATOM 0 HD11 ILE A 14 0.866 -1.288 0.291 1.00 73.30 H new ATOM 0 HD12 ILE A 14 1.591 -2.906 0.138 1.00 73.30 H new ATOM 0 HD13 ILE A 14 1.929 -1.912 1.575 1.00 73.30 H new ATOM 228 N HIS A 15 6.930 -3.330 -0.793 1.00 25.43 N ATOM 229 CA HIS A 15 8.172 -3.991 -0.408 1.00 10.31 C ATOM 230 C HIS A 15 9.356 -3.458 -1.219 1.00 4.04 C ATOM 231 O HIS A 15 10.485 -3.416 -0.733 1.00 74.53 O ATOM 232 CB HIS A 15 8.056 -5.525 -0.521 1.00 75.35 C ATOM 233 CG HIS A 15 8.311 -6.119 -1.870 1.00 40.00 C ATOM 234 ND1 HIS A 15 9.563 -6.224 -2.442 1.00 5.30 N ATOM 235 CD2 HIS A 15 7.458 -6.687 -2.739 1.00 2.15 C ATOM 236 CE1 HIS A 15 9.458 -6.825 -3.609 1.00 54.50 C ATOM 237 NE2 HIS A 15 8.191 -7.118 -3.813 1.00 54.11 N ATOM 0 H HIS A 15 6.278 -3.912 -1.319 1.00 25.43 H new ATOM 0 HA HIS A 15 8.357 -3.757 0.640 1.00 10.31 H new ATOM 0 HB2 HIS A 15 8.755 -5.972 0.186 1.00 75.35 H new ATOM 0 HB3 HIS A 15 7.054 -5.815 -0.205 1.00 75.35 H new ATOM 0 HD2 HIS A 15 6.390 -6.786 -2.614 1.00 2.15 H new ATOM 0 HE1 HIS A 15 10.273 -7.041 -4.284 1.00 54.50 H new ATOM 0 HE2 HIS A 15 7.816 -7.589 -4.636 1.00 54.11 H new ATOM 246 N ARG A 16 9.084 -3.051 -2.451 1.00 63.22 N ATOM 247 CA ARG A 16 10.125 -2.591 -3.363 1.00 73.41 C ATOM 248 C ARG A 16 10.562 -1.158 -3.048 1.00 14.32 C ATOM 249 O ARG A 16 11.753 -0.849 -3.075 1.00 45.32 O ATOM 250 CB ARG A 16 9.631 -2.715 -4.809 1.00 73.13 C ATOM 251 CG ARG A 16 10.590 -2.181 -5.861 1.00 21.33 C ATOM 252 CD ARG A 16 10.287 -2.765 -7.236 1.00 44.13 C ATOM 253 NE ARG A 16 8.868 -2.680 -7.585 1.00 53.43 N ATOM 254 CZ ARG A 16 8.173 -3.679 -8.131 1.00 51.45 C ATOM 255 NH1 ARG A 16 8.760 -4.842 -8.396 1.00 61.52 N ATOM 256 NH2 ARG A 16 6.891 -3.510 -8.410 1.00 71.32 N ATOM 0 H ARG A 16 8.144 -3.030 -2.845 1.00 63.22 H new ATOM 0 HA ARG A 16 11.003 -3.223 -3.232 1.00 73.41 H new ATOM 0 HB2 ARG A 16 9.431 -3.765 -5.020 1.00 73.13 H new ATOM 0 HB3 ARG A 16 8.683 -2.185 -4.900 1.00 73.13 H new ATOM 0 HG2 ARG A 16 10.519 -1.094 -5.902 1.00 21.33 H new ATOM 0 HG3 ARG A 16 11.614 -2.423 -5.579 1.00 21.33 H new ATOM 0 HD2 ARG A 16 10.874 -2.238 -7.988 1.00 44.13 H new ATOM 0 HD3 ARG A 16 10.601 -3.808 -7.260 1.00 44.13 H new ATOM 0 HE ARG A 16 8.381 -1.803 -7.399 1.00 53.43 H new ATOM 0 HH11 ARG A 16 9.748 -4.975 -8.182 1.00 61.52 H new ATOM 0 HH12 ARG A 16 8.222 -5.601 -8.814 1.00 61.52 H new ATOM 0 HH21 ARG A 16 6.438 -2.619 -8.208 1.00 71.32 H new ATOM 0 HH22 ARG A 16 6.355 -4.271 -8.828 1.00 71.32 H new ATOM 270 N LEU A 17 9.608 -0.290 -2.742 1.00 32.31 N ATOM 271 CA LEU A 17 9.919 1.098 -2.408 1.00 31.12 C ATOM 272 C LEU A 17 10.227 1.248 -0.924 1.00 74.52 C ATOM 273 O LEU A 17 10.871 2.209 -0.508 1.00 70.22 O ATOM 274 CB LEU A 17 8.757 2.032 -2.778 1.00 4.41 C ATOM 275 CG LEU A 17 8.692 2.496 -4.239 1.00 2.21 C ATOM 276 CD1 LEU A 17 8.407 1.334 -5.179 1.00 32.42 C ATOM 277 CD2 LEU A 17 7.634 3.582 -4.396 1.00 51.14 C ATOM 0 H LEU A 17 8.614 -0.519 -2.717 1.00 32.31 H new ATOM 0 HA LEU A 17 10.799 1.377 -2.987 1.00 31.12 H new ATOM 0 HB2 LEU A 17 7.822 1.525 -2.539 1.00 4.41 H new ATOM 0 HB3 LEU A 17 8.813 2.915 -2.141 1.00 4.41 H new ATOM 0 HG LEU A 17 9.665 2.906 -4.508 1.00 2.21 H new ATOM 0 HD11 LEU A 17 8.368 1.698 -6.206 1.00 32.42 H new ATOM 0 HD12 LEU A 17 9.198 0.590 -5.088 1.00 32.42 H new ATOM 0 HD13 LEU A 17 7.451 0.881 -4.918 1.00 32.42 H new ATOM 0 HD21 LEU A 17 7.596 3.905 -5.436 1.00 51.14 H new ATOM 0 HD22 LEU A 17 6.661 3.188 -4.102 1.00 51.14 H new ATOM 0 HD23 LEU A 17 7.888 4.431 -3.762 1.00 51.14 H new ATOM 289 N GLY A 18 9.767 0.294 -0.132 1.00 13.54 N ATOM 290 CA GLY A 18 9.875 0.412 1.305 1.00 64.24 C ATOM 291 C GLY A 18 11.140 -0.190 1.877 1.00 21.42 C ATOM 292 O GLY A 18 12.086 -0.504 1.150 1.00 73.01 O ATOM 0 H GLY A 18 9.320 -0.562 -0.460 1.00 13.54 H new ATOM 0 HA2 GLY A 18 9.831 1.467 1.577 1.00 64.24 H new ATOM 0 HA3 GLY A 18 9.014 -0.072 1.765 1.00 64.24 H new ATOM 296 N SER A 19 11.137 -0.362 3.187 1.00 52.13 N ATOM 297 CA SER A 19 12.292 -0.853 3.920 1.00 45.32 C ATOM 298 C SER A 19 11.836 -1.767 5.053 1.00 5.05 C ATOM 299 O SER A 19 10.679 -1.698 5.479 1.00 43.34 O ATOM 300 CB SER A 19 13.100 0.326 4.469 1.00 5.14 C ATOM 301 OG SER A 19 12.256 1.263 5.124 1.00 11.32 O ATOM 0 H SER A 19 10.328 -0.164 3.776 1.00 52.13 H new ATOM 0 HA SER A 19 12.930 -1.426 3.247 1.00 45.32 H new ATOM 0 HB2 SER A 19 13.854 -0.039 5.167 1.00 5.14 H new ATOM 0 HB3 SER A 19 13.631 0.818 3.654 1.00 5.14 H new ATOM 0 HG SER A 19 12.796 2.005 5.467 1.00 11.32 H new ATOM 307 N LYS A 20 12.727 -2.629 5.520 1.00 20.43 N ATOM 308 CA LYS A 20 12.395 -3.575 6.574 1.00 74.35 C ATOM 309 C LYS A 20 12.384 -2.912 7.938 1.00 55.21 C ATOM 310 O LYS A 20 13.272 -2.124 8.272 1.00 43.31 O ATOM 311 CB LYS A 20 13.388 -4.732 6.610 1.00 45.03 C ATOM 312 CG LYS A 20 13.332 -5.630 5.395 1.00 32.43 C ATOM 313 CD LYS A 20 14.423 -6.685 5.453 1.00 11.40 C ATOM 314 CE LYS A 20 15.801 -6.047 5.559 1.00 51.23 C ATOM 315 NZ LYS A 20 16.868 -7.048 5.813 1.00 63.55 N ATOM 0 H LYS A 20 13.688 -2.693 5.184 1.00 20.43 H new ATOM 0 HA LYS A 20 11.397 -3.951 6.347 1.00 74.35 H new ATOM 0 HB2 LYS A 20 14.396 -4.329 6.705 1.00 45.03 H new ATOM 0 HB3 LYS A 20 13.199 -5.331 7.501 1.00 45.03 H new ATOM 0 HG2 LYS A 20 12.356 -6.112 5.338 1.00 32.43 H new ATOM 0 HG3 LYS A 20 13.445 -5.033 4.490 1.00 32.43 H new ATOM 0 HD2 LYS A 20 14.255 -7.339 6.309 1.00 11.40 H new ATOM 0 HD3 LYS A 20 14.376 -7.310 4.561 1.00 11.40 H new ATOM 0 HE2 LYS A 20 16.022 -5.510 4.637 1.00 51.23 H new ATOM 0 HE3 LYS A 20 15.797 -5.311 6.363 1.00 51.23 H new ATOM 0 HZ1 LYS A 20 17.788 -6.566 5.877 1.00 63.55 H new ATOM 0 HZ2 LYS A 20 16.673 -7.544 6.706 1.00 63.55 H new ATOM 0 HZ3 LYS A 20 16.891 -7.736 5.033 1.00 63.55 H new ATOM 329 N ASN A 21 11.370 -3.238 8.709 1.00 23.10 N ATOM 330 CA ASN A 21 11.320 -2.860 10.115 1.00 33.05 C ATOM 331 C ASN A 21 12.052 -3.914 10.933 1.00 2.43 C ATOM 332 O ASN A 21 12.403 -4.968 10.403 1.00 41.34 O ATOM 333 CB ASN A 21 9.872 -2.738 10.605 1.00 21.44 C ATOM 334 CG ASN A 21 9.135 -1.565 9.992 1.00 12.44 C ATOM 335 OD1 ASN A 21 9.727 -0.533 9.682 1.00 51.24 O ATOM 336 ND2 ASN A 21 7.829 -1.713 9.820 1.00 63.13 N ATOM 0 H ASN A 21 10.560 -3.768 8.388 1.00 23.10 H new ATOM 0 HA ASN A 21 11.798 -1.888 10.235 1.00 33.05 H new ATOM 0 HB2 ASN A 21 9.337 -3.658 10.371 1.00 21.44 H new ATOM 0 HB3 ASN A 21 9.869 -2.634 11.690 1.00 21.44 H new ATOM 0 HD21 ASN A 21 7.278 -0.955 9.417 1.00 63.13 H new ATOM 0 HD22 ASN A 21 7.375 -2.585 10.090 1.00 63.13 H new ATOM 343 N ALA A 22 12.266 -3.649 12.217 1.00 51.33 N ATOM 344 CA ALA A 22 12.928 -4.613 13.096 1.00 60.40 C ATOM 345 C ALA A 22 12.111 -5.896 13.214 1.00 72.43 C ATOM 346 O ALA A 22 12.634 -6.961 13.547 1.00 71.23 O ATOM 347 CB ALA A 22 13.149 -4.009 14.470 1.00 22.12 C ATOM 0 H ALA A 22 11.993 -2.779 12.674 1.00 51.33 H new ATOM 0 HA ALA A 22 13.895 -4.861 12.657 1.00 60.40 H new ATOM 0 HB1 ALA A 22 13.642 -4.738 15.113 1.00 22.12 H new ATOM 0 HB2 ALA A 22 13.775 -3.121 14.381 1.00 22.12 H new ATOM 0 HB3 ALA A 22 12.188 -3.733 14.905 1.00 22.12 H new ATOM 353 N ASP A 23 10.827 -5.786 12.911 1.00 1.23 N ATOM 354 CA ASP A 23 9.912 -6.918 12.982 1.00 23.32 C ATOM 355 C ASP A 23 10.089 -7.823 11.765 1.00 44.42 C ATOM 356 O ASP A 23 9.652 -8.971 11.756 1.00 71.42 O ATOM 357 CB ASP A 23 8.470 -6.409 13.062 1.00 54.04 C ATOM 358 CG ASP A 23 7.462 -7.518 13.293 1.00 4.21 C ATOM 359 OD1 ASP A 23 7.003 -8.125 12.308 1.00 1.54 O ATOM 360 OD2 ASP A 23 7.108 -7.767 14.462 1.00 41.13 O ATOM 0 H ASP A 23 10.390 -4.915 12.610 1.00 1.23 H new ATOM 0 HA ASP A 23 10.135 -7.500 13.876 1.00 23.32 H new ATOM 0 HB2 ASP A 23 8.392 -5.681 13.869 1.00 54.04 H new ATOM 0 HB3 ASP A 23 8.223 -5.888 12.137 1.00 54.04 H new ATOM 365 N GLY A 24 10.762 -7.305 10.744 1.00 24.35 N ATOM 366 CA GLY A 24 10.977 -8.069 9.531 1.00 42.35 C ATOM 367 C GLY A 24 9.924 -7.786 8.482 1.00 32.40 C ATOM 368 O GLY A 24 9.976 -8.327 7.377 1.00 21.25 O ATOM 0 H GLY A 24 11.163 -6.367 10.735 1.00 24.35 H new ATOM 0 HA2 GLY A 24 11.962 -7.836 9.127 1.00 42.35 H new ATOM 0 HA3 GLY A 24 10.974 -9.133 9.769 1.00 42.35 H new ATOM 372 N LYS A 25 8.970 -6.931 8.824 1.00 22.42 N ATOM 373 CA LYS A 25 7.931 -6.543 7.886 1.00 65.22 C ATOM 374 C LYS A 25 8.406 -5.390 7.011 1.00 24.43 C ATOM 375 O LYS A 25 9.235 -4.578 7.430 1.00 42.11 O ATOM 376 CB LYS A 25 6.642 -6.161 8.619 1.00 25.41 C ATOM 377 CG LYS A 25 6.022 -7.309 9.405 1.00 60.52 C ATOM 378 CD LYS A 25 4.589 -6.997 9.806 1.00 62.24 C ATOM 379 CE LYS A 25 3.955 -8.140 10.588 1.00 61.11 C ATOM 380 NZ LYS A 25 4.429 -8.184 11.997 1.00 23.24 N ATOM 0 H LYS A 25 8.896 -6.495 9.743 1.00 22.42 H new ATOM 0 HA LYS A 25 7.716 -7.400 7.248 1.00 65.22 H new ATOM 0 HB2 LYS A 25 6.853 -5.337 9.301 1.00 25.41 H new ATOM 0 HB3 LYS A 25 5.916 -5.796 7.893 1.00 25.41 H new ATOM 0 HG2 LYS A 25 6.043 -8.217 8.803 1.00 60.52 H new ATOM 0 HG3 LYS A 25 6.617 -7.504 10.297 1.00 60.52 H new ATOM 0 HD2 LYS A 25 4.571 -6.090 10.410 1.00 62.24 H new ATOM 0 HD3 LYS A 25 3.998 -6.797 8.913 1.00 62.24 H new ATOM 0 HE2 LYS A 25 2.871 -8.031 10.574 1.00 61.11 H new ATOM 0 HE3 LYS A 25 4.186 -9.086 10.098 1.00 61.11 H new ATOM 0 HZ1 LYS A 25 4.197 -9.109 12.412 1.00 23.24 H new ATOM 0 HZ2 LYS A 25 5.459 -8.042 12.021 1.00 23.24 H new ATOM 0 HZ3 LYS A 25 3.963 -7.432 12.544 1.00 23.24 H new ATOM 394 N LEU A 26 7.876 -5.327 5.801 1.00 41.42 N ATOM 395 CA LEU A 26 8.279 -4.325 4.827 1.00 71.05 C ATOM 396 C LEU A 26 7.329 -3.136 4.868 1.00 52.11 C ATOM 397 O LEU A 26 6.134 -3.279 4.634 1.00 43.34 O ATOM 398 CB LEU A 26 8.318 -4.963 3.434 1.00 42.45 C ATOM 399 CG LEU A 26 9.368 -6.069 3.294 1.00 74.14 C ATOM 400 CD1 LEU A 26 8.978 -7.062 2.216 1.00 43.13 C ATOM 401 CD2 LEU A 26 10.730 -5.468 2.985 1.00 41.44 C ATOM 0 H LEU A 26 7.156 -5.967 5.466 1.00 41.42 H new ATOM 0 HA LEU A 26 9.276 -3.956 5.069 1.00 71.05 H new ATOM 0 HB2 LEU A 26 7.335 -5.376 3.205 1.00 42.45 H new ATOM 0 HB3 LEU A 26 8.518 -4.188 2.694 1.00 42.45 H new ATOM 0 HG LEU A 26 9.422 -6.603 4.243 1.00 74.14 H new ATOM 0 HD11 LEU A 26 9.742 -7.835 2.140 1.00 43.13 H new ATOM 0 HD12 LEU A 26 8.023 -7.520 2.472 1.00 43.13 H new ATOM 0 HD13 LEU A 26 8.888 -6.545 1.261 1.00 43.13 H new ATOM 0 HD21 LEU A 26 11.466 -6.266 2.888 1.00 41.44 H new ATOM 0 HD22 LEU A 26 10.677 -4.908 2.051 1.00 41.44 H new ATOM 0 HD23 LEU A 26 11.024 -4.799 3.794 1.00 41.44 H new ATOM 413 N SER A 27 7.861 -1.969 5.188 1.00 12.14 N ATOM 414 CA SER A 27 7.038 -0.782 5.353 1.00 62.32 C ATOM 415 C SER A 27 7.487 0.320 4.415 1.00 51.40 C ATOM 416 O SER A 27 8.680 0.469 4.147 1.00 11.30 O ATOM 417 CB SER A 27 7.122 -0.283 6.794 1.00 73.34 C ATOM 418 OG SER A 27 6.257 0.814 7.021 1.00 4.34 O ATOM 0 H SER A 27 8.858 -1.817 5.339 1.00 12.14 H new ATOM 0 HA SER A 27 6.008 -1.049 5.116 1.00 62.32 H new ATOM 0 HB2 SER A 27 6.866 -1.095 7.475 1.00 73.34 H new ATOM 0 HB3 SER A 27 8.148 0.010 7.018 1.00 73.34 H new ATOM 0 HG SER A 27 5.332 0.544 6.841 1.00 4.34 H new ATOM 424 N VAL A 28 6.534 1.091 3.921 1.00 63.00 N ATOM 425 CA VAL A 28 6.854 2.245 3.107 1.00 21.32 C ATOM 426 C VAL A 28 5.939 3.413 3.462 1.00 42.10 C ATOM 427 O VAL A 28 4.779 3.212 3.818 1.00 4.13 O ATOM 428 CB VAL A 28 6.753 1.929 1.591 1.00 42.43 C ATOM 429 CG1 VAL A 28 5.323 1.589 1.187 1.00 24.43 C ATOM 430 CG2 VAL A 28 7.288 3.086 0.755 1.00 72.15 C ATOM 0 H VAL A 28 5.537 0.938 4.070 1.00 63.00 H new ATOM 0 HA VAL A 28 7.887 2.519 3.319 1.00 21.32 H new ATOM 0 HB VAL A 28 7.372 1.053 1.397 1.00 42.43 H new ATOM 0 HG11 VAL A 28 5.288 1.373 0.119 1.00 24.43 H new ATOM 0 HG12 VAL A 28 4.985 0.716 1.745 1.00 24.43 H new ATOM 0 HG13 VAL A 28 4.672 2.435 1.408 1.00 24.43 H new ATOM 0 HG21 VAL A 28 7.206 2.839 -0.303 1.00 72.15 H new ATOM 0 HG22 VAL A 28 6.708 3.985 0.964 1.00 72.15 H new ATOM 0 HG23 VAL A 28 8.334 3.263 1.006 1.00 72.15 H new ATOM 440 N LYS A 29 6.469 4.625 3.385 1.00 33.35 N ATOM 441 CA LYS A 29 5.689 5.820 3.679 1.00 10.41 C ATOM 442 C LYS A 29 4.570 6.003 2.659 1.00 1.53 C ATOM 443 O LYS A 29 4.786 5.853 1.450 1.00 53.13 O ATOM 444 CB LYS A 29 6.590 7.053 3.670 1.00 44.54 C ATOM 445 CG LYS A 29 6.658 7.777 5.001 1.00 1.14 C ATOM 446 CD LYS A 29 7.260 9.163 4.840 1.00 34.44 C ATOM 447 CE LYS A 29 7.236 9.940 6.143 1.00 60.35 C ATOM 448 NZ LYS A 29 7.577 11.372 5.941 1.00 23.22 N ATOM 0 H LYS A 29 7.437 4.808 3.121 1.00 33.35 H new ATOM 0 HA LYS A 29 5.247 5.699 4.668 1.00 10.41 H new ATOM 0 HB2 LYS A 29 7.597 6.753 3.380 1.00 44.54 H new ATOM 0 HB3 LYS A 29 6.232 7.746 2.909 1.00 44.54 H new ATOM 0 HG2 LYS A 29 5.657 7.859 5.425 1.00 1.14 H new ATOM 0 HG3 LYS A 29 7.256 7.197 5.704 1.00 1.14 H new ATOM 0 HD2 LYS A 29 8.288 9.075 4.488 1.00 34.44 H new ATOM 0 HD3 LYS A 29 6.708 9.713 4.078 1.00 34.44 H new ATOM 0 HE2 LYS A 29 6.247 9.863 6.594 1.00 60.35 H new ATOM 0 HE3 LYS A 29 7.941 9.494 6.844 1.00 60.35 H new ATOM 0 HZ1 LYS A 29 7.749 11.821 6.863 1.00 23.22 H new ATOM 0 HZ2 LYS A 29 8.433 11.446 5.355 1.00 23.22 H new ATOM 0 HZ3 LYS A 29 6.788 11.853 5.464 1.00 23.22 H new ATOM 462 N PHE A 30 3.379 6.330 3.152 1.00 4.22 N ATOM 463 CA PHE A 30 2.233 6.589 2.296 1.00 11.13 C ATOM 464 C PHE A 30 2.544 7.696 1.297 1.00 52.32 C ATOM 465 O PHE A 30 2.205 7.588 0.120 1.00 41.32 O ATOM 466 CB PHE A 30 1.020 6.982 3.145 1.00 43.42 C ATOM 467 CG PHE A 30 -0.198 7.300 2.331 1.00 15.42 C ATOM 468 CD1 PHE A 30 -0.914 6.287 1.724 1.00 32.33 C ATOM 469 CD2 PHE A 30 -0.620 8.609 2.172 1.00 43.22 C ATOM 470 CE1 PHE A 30 -2.033 6.571 0.967 1.00 54.24 C ATOM 471 CE2 PHE A 30 -1.738 8.901 1.417 1.00 61.25 C ATOM 472 CZ PHE A 30 -2.447 7.879 0.813 1.00 34.30 C ATOM 0 H PHE A 30 3.185 6.422 4.149 1.00 4.22 H new ATOM 0 HA PHE A 30 2.006 5.677 1.744 1.00 11.13 H new ATOM 0 HB2 PHE A 30 0.787 6.168 3.831 1.00 43.42 H new ATOM 0 HB3 PHE A 30 1.277 7.849 3.754 1.00 43.42 H new ATOM 0 HD1 PHE A 30 -0.595 5.262 1.843 1.00 32.33 H new ATOM 0 HD2 PHE A 30 -0.069 9.409 2.643 1.00 43.22 H new ATOM 0 HE1 PHE A 30 -2.584 5.771 0.496 1.00 54.24 H new ATOM 0 HE2 PHE A 30 -2.058 9.926 1.298 1.00 61.25 H new ATOM 0 HZ PHE A 30 -3.323 8.103 0.222 1.00 34.30 H new ATOM 482 N GLY A 31 3.219 8.740 1.769 1.00 61.24 N ATOM 483 CA GLY A 31 3.542 9.871 0.919 1.00 24.30 C ATOM 484 C GLY A 31 4.415 9.481 -0.256 1.00 23.32 C ATOM 485 O GLY A 31 4.296 10.049 -1.342 1.00 3.04 O ATOM 0 H GLY A 31 3.549 8.822 2.731 1.00 61.24 H new ATOM 0 HA2 GLY A 31 2.620 10.319 0.550 1.00 24.30 H new ATOM 0 HA3 GLY A 31 4.052 10.632 1.510 1.00 24.30 H new ATOM 489 N VAL A 32 5.276 8.491 -0.046 1.00 74.10 N ATOM 490 CA VAL A 32 6.172 8.022 -1.092 1.00 73.40 C ATOM 491 C VAL A 32 5.381 7.332 -2.197 1.00 13.44 C ATOM 492 O VAL A 32 5.507 7.670 -3.372 1.00 11.32 O ATOM 493 CB VAL A 32 7.225 7.045 -0.520 1.00 13.23 C ATOM 494 CG1 VAL A 32 8.080 6.448 -1.626 1.00 13.20 C ATOM 495 CG2 VAL A 32 8.098 7.750 0.506 1.00 51.44 C ATOM 0 H VAL A 32 5.371 7.998 0.842 1.00 74.10 H new ATOM 0 HA VAL A 32 6.688 8.889 -1.506 1.00 73.40 H new ATOM 0 HB VAL A 32 6.696 6.228 -0.029 1.00 13.23 H new ATOM 0 HG11 VAL A 32 8.811 5.765 -1.193 1.00 13.20 H new ATOM 0 HG12 VAL A 32 7.444 5.903 -2.324 1.00 13.20 H new ATOM 0 HG13 VAL A 32 8.599 7.247 -2.156 1.00 13.20 H new ATOM 0 HG21 VAL A 32 8.834 7.050 0.900 1.00 51.44 H new ATOM 0 HG22 VAL A 32 8.611 8.588 0.033 1.00 51.44 H new ATOM 0 HG23 VAL A 32 7.476 8.119 1.321 1.00 51.44 H new ATOM 505 N LEU A 33 4.536 6.391 -1.800 1.00 23.33 N ATOM 506 CA LEU A 33 3.702 5.660 -2.744 1.00 54.24 C ATOM 507 C LEU A 33 2.712 6.612 -3.419 1.00 31.20 C ATOM 508 O LEU A 33 2.505 6.554 -4.630 1.00 25.02 O ATOM 509 CB LEU A 33 2.952 4.544 -2.007 1.00 1.24 C ATOM 510 CG LEU A 33 2.787 3.227 -2.775 1.00 54.52 C ATOM 511 CD1 LEU A 33 2.120 2.183 -1.895 1.00 70.11 C ATOM 512 CD2 LEU A 33 1.982 3.433 -4.049 1.00 14.21 C ATOM 0 H LEU A 33 4.410 6.115 -0.826 1.00 23.33 H new ATOM 0 HA LEU A 33 4.333 5.216 -3.514 1.00 54.24 H new ATOM 0 HB2 LEU A 33 3.476 4.335 -1.074 1.00 1.24 H new ATOM 0 HB3 LEU A 33 1.962 4.913 -1.740 1.00 1.24 H new ATOM 0 HG LEU A 33 3.779 2.873 -3.054 1.00 54.52 H new ATOM 0 HD11 LEU A 33 2.009 1.253 -2.453 1.00 70.11 H new ATOM 0 HD12 LEU A 33 2.734 2.005 -1.012 1.00 70.11 H new ATOM 0 HD13 LEU A 33 1.137 2.541 -1.587 1.00 70.11 H new ATOM 0 HD21 LEU A 33 1.881 2.483 -4.573 1.00 14.21 H new ATOM 0 HD22 LEU A 33 0.993 3.815 -3.797 1.00 14.21 H new ATOM 0 HD23 LEU A 33 2.495 4.149 -4.692 1.00 14.21 H new ATOM 524 N PHE A 34 2.132 7.503 -2.622 1.00 53.24 N ATOM 525 CA PHE A 34 1.151 8.468 -3.106 1.00 22.52 C ATOM 526 C PHE A 34 1.766 9.368 -4.178 1.00 44.42 C ATOM 527 O PHE A 34 1.136 9.665 -5.192 1.00 52.01 O ATOM 528 CB PHE A 34 0.640 9.304 -1.925 1.00 11.32 C ATOM 529 CG PHE A 34 -0.565 10.153 -2.221 1.00 22.30 C ATOM 530 CD1 PHE A 34 -1.779 9.567 -2.544 1.00 13.03 C ATOM 531 CD2 PHE A 34 -0.491 11.535 -2.149 1.00 74.42 C ATOM 532 CE1 PHE A 34 -2.895 10.343 -2.793 1.00 4.20 C ATOM 533 CE2 PHE A 34 -1.601 12.316 -2.400 1.00 24.12 C ATOM 534 CZ PHE A 34 -2.806 11.719 -2.722 1.00 63.01 C ATOM 0 H PHE A 34 2.328 7.577 -1.624 1.00 53.24 H new ATOM 0 HA PHE A 34 0.314 7.935 -3.558 1.00 22.52 H new ATOM 0 HB2 PHE A 34 0.399 8.632 -1.101 1.00 11.32 H new ATOM 0 HB3 PHE A 34 1.447 9.952 -1.582 1.00 11.32 H new ATOM 0 HD1 PHE A 34 -1.854 8.491 -2.602 1.00 13.03 H new ATOM 0 HD2 PHE A 34 0.446 12.007 -1.893 1.00 74.42 H new ATOM 0 HE1 PHE A 34 -3.835 9.874 -3.043 1.00 4.20 H new ATOM 0 HE2 PHE A 34 -1.528 13.392 -2.345 1.00 24.12 H new ATOM 0 HZ PHE A 34 -3.676 12.328 -2.918 1.00 63.01 H new ATOM 544 N ARG A 35 3.008 9.781 -3.948 1.00 4.21 N ATOM 545 CA ARG A 35 3.737 10.619 -4.893 1.00 25.05 C ATOM 546 C ARG A 35 3.989 9.875 -6.202 1.00 71.51 C ATOM 547 O ARG A 35 3.682 10.370 -7.291 1.00 42.21 O ATOM 548 CB ARG A 35 5.081 11.037 -4.292 1.00 2.43 C ATOM 549 CG ARG A 35 5.870 12.001 -5.161 1.00 23.33 C ATOM 550 CD ARG A 35 7.360 11.912 -4.876 1.00 53.01 C ATOM 551 NE ARG A 35 7.943 10.669 -5.389 1.00 2.11 N ATOM 552 CZ ARG A 35 9.187 10.565 -5.855 1.00 54.01 C ATOM 553 NH1 ARG A 35 10.026 11.586 -5.759 1.00 3.41 N ATOM 554 NH2 ARG A 35 9.599 9.423 -6.389 1.00 31.12 N ATOM 0 H ARG A 35 3.535 9.546 -3.107 1.00 4.21 H new ATOM 0 HA ARG A 35 3.130 11.501 -5.098 1.00 25.05 H new ATOM 0 HB2 ARG A 35 4.906 11.499 -3.321 1.00 2.43 H new ATOM 0 HB3 ARG A 35 5.683 10.145 -4.117 1.00 2.43 H new ATOM 0 HG2 ARG A 35 5.685 11.780 -6.212 1.00 23.33 H new ATOM 0 HG3 ARG A 35 5.524 13.019 -4.984 1.00 23.33 H new ATOM 0 HD2 ARG A 35 7.867 12.764 -5.328 1.00 53.01 H new ATOM 0 HD3 ARG A 35 7.528 11.975 -3.801 1.00 53.01 H new ATOM 0 HE ARG A 35 7.360 9.832 -5.389 1.00 2.11 H new ATOM 0 HH11 ARG A 35 9.721 12.458 -5.326 1.00 3.41 H new ATOM 0 HH12 ARG A 35 10.977 11.500 -6.118 1.00 3.41 H new ATOM 0 HH21 ARG A 35 8.964 8.627 -6.442 1.00 31.12 H new ATOM 0 HH22 ARG A 35 10.551 9.341 -6.746 1.00 31.12 H new ATOM 568 N ASP A 36 4.548 8.681 -6.081 1.00 40.11 N ATOM 569 CA ASP A 36 4.976 7.910 -7.238 1.00 61.04 C ATOM 570 C ASP A 36 3.795 7.393 -8.053 1.00 61.50 C ATOM 571 O ASP A 36 3.857 7.365 -9.286 1.00 24.43 O ATOM 572 CB ASP A 36 5.886 6.759 -6.801 1.00 74.54 C ATOM 573 CG ASP A 36 7.291 7.238 -6.474 1.00 30.43 C ATOM 574 OD1 ASP A 36 7.472 7.908 -5.438 1.00 14.22 O ATOM 575 OD2 ASP A 36 8.224 6.964 -7.255 1.00 21.14 O ATOM 0 H ASP A 36 4.717 8.222 -5.186 1.00 40.11 H new ATOM 0 HA ASP A 36 5.541 8.578 -7.889 1.00 61.04 H new ATOM 0 HB2 ASP A 36 5.457 6.269 -5.927 1.00 74.54 H new ATOM 0 HB3 ASP A 36 5.933 6.012 -7.594 1.00 74.54 H new ATOM 580 N ASP A 37 2.710 7.005 -7.387 1.00 42.23 N ATOM 581 CA ASP A 37 1.527 6.535 -8.104 1.00 14.41 C ATOM 582 C ASP A 37 0.902 7.664 -8.907 1.00 74.14 C ATOM 583 O ASP A 37 0.435 7.451 -10.017 1.00 75.40 O ATOM 584 CB ASP A 37 0.482 5.930 -7.170 1.00 41.13 C ATOM 585 CG ASP A 37 -0.759 5.500 -7.938 1.00 42.50 C ATOM 586 OD1 ASP A 37 -0.665 4.549 -8.751 1.00 34.32 O ATOM 587 OD2 ASP A 37 -1.821 6.125 -7.749 1.00 13.34 O ATOM 0 H ASP A 37 2.625 7.006 -6.371 1.00 42.23 H new ATOM 0 HA ASP A 37 1.864 5.749 -8.780 1.00 14.41 H new ATOM 0 HB2 ASP A 37 0.908 5.071 -6.651 1.00 41.13 H new ATOM 0 HB3 ASP A 37 0.207 6.659 -6.407 1.00 41.13 H new ATOM 592 N LYS A 38 0.916 8.874 -8.365 1.00 43.25 N ATOM 593 CA LYS A 38 0.416 10.035 -9.097 1.00 63.12 C ATOM 594 C LYS A 38 1.189 10.242 -10.395 1.00 22.41 C ATOM 595 O LYS A 38 0.672 10.810 -11.356 1.00 53.10 O ATOM 596 CB LYS A 38 0.516 11.303 -8.252 1.00 3.33 C ATOM 597 CG LYS A 38 -0.609 11.473 -7.249 1.00 22.05 C ATOM 598 CD LYS A 38 -0.534 12.836 -6.585 1.00 33.12 C ATOM 599 CE LYS A 38 -1.759 13.120 -5.739 1.00 13.11 C ATOM 600 NZ LYS A 38 -1.726 14.490 -5.165 1.00 35.22 N ATOM 0 H LYS A 38 1.265 9.079 -7.429 1.00 43.25 H new ATOM 0 HA LYS A 38 -0.631 9.839 -9.330 1.00 63.12 H new ATOM 0 HB2 LYS A 38 1.466 11.296 -7.718 1.00 3.33 H new ATOM 0 HB3 LYS A 38 0.530 12.168 -8.915 1.00 3.33 H new ATOM 0 HG2 LYS A 38 -1.570 11.360 -7.750 1.00 22.05 H new ATOM 0 HG3 LYS A 38 -0.550 10.691 -6.492 1.00 22.05 H new ATOM 0 HD2 LYS A 38 0.358 12.887 -5.961 1.00 33.12 H new ATOM 0 HD3 LYS A 38 -0.433 13.607 -7.349 1.00 33.12 H new ATOM 0 HE2 LYS A 38 -2.656 13.002 -6.347 1.00 13.11 H new ATOM 0 HE3 LYS A 38 -1.822 12.389 -4.933 1.00 13.11 H new ATOM 0 HZ1 LYS A 38 -1.693 14.431 -4.127 1.00 35.22 H new ATOM 0 HZ2 LYS A 38 -0.882 14.991 -5.510 1.00 35.22 H new ATOM 0 HZ3 LYS A 38 -2.579 15.009 -5.456 1.00 35.22 H new ATOM 614 N SER A 39 2.419 9.754 -10.422 1.00 74.31 N ATOM 615 CA SER A 39 3.309 9.981 -11.546 1.00 22.21 C ATOM 616 C SER A 39 3.057 8.982 -12.680 1.00 3.43 C ATOM 617 O SER A 39 3.260 9.303 -13.851 1.00 53.51 O ATOM 618 CB SER A 39 4.757 9.887 -11.069 1.00 52.44 C ATOM 619 OG SER A 39 4.957 10.671 -9.900 1.00 1.02 O ATOM 0 H SER A 39 2.825 9.194 -9.672 1.00 74.31 H new ATOM 0 HA SER A 39 3.114 10.977 -11.943 1.00 22.21 H new ATOM 0 HB2 SER A 39 5.009 8.847 -10.862 1.00 52.44 H new ATOM 0 HB3 SER A 39 5.427 10.227 -11.859 1.00 52.44 H new ATOM 0 HG SER A 39 4.514 10.242 -9.138 1.00 1.02 H new ATOM 625 N ALA A 40 2.606 7.780 -12.335 1.00 31.40 N ATOM 626 CA ALA A 40 2.438 6.719 -13.327 1.00 43.30 C ATOM 627 C ALA A 40 0.991 6.243 -13.426 1.00 10.31 C ATOM 628 O ALA A 40 0.564 5.753 -14.472 1.00 42.53 O ATOM 629 CB ALA A 40 3.351 5.550 -12.990 1.00 73.52 C ATOM 0 H ALA A 40 2.351 7.516 -11.383 1.00 31.40 H new ATOM 0 HA ALA A 40 2.709 7.132 -14.299 1.00 43.30 H new ATOM 0 HB1 ALA A 40 3.222 4.762 -13.732 1.00 73.52 H new ATOM 0 HB2 ALA A 40 4.388 5.886 -12.993 1.00 73.52 H new ATOM 0 HB3 ALA A 40 3.098 5.164 -12.003 1.00 73.52 H new ATOM 635 N ASN A 41 0.243 6.406 -12.338 1.00 34.50 N ATOM 636 CA ASN A 41 -1.120 5.894 -12.227 1.00 52.14 C ATOM 637 C ASN A 41 -1.129 4.384 -12.406 1.00 71.23 C ATOM 638 O ASN A 41 -1.744 3.846 -13.332 1.00 65.54 O ATOM 639 CB ASN A 41 -2.064 6.577 -13.226 1.00 31.41 C ATOM 640 CG ASN A 41 -2.360 8.021 -12.853 1.00 12.14 C ATOM 641 OD1 ASN A 41 -2.434 8.305 -11.561 1.00 64.41 O flip ATOM 642 ND2 ASN A 41 -2.537 8.876 -13.723 1.00 61.43 N flip ATOM 0 H ASN A 41 0.566 6.899 -11.505 1.00 34.50 H new ATOM 0 HA ASN A 41 -1.489 6.127 -11.228 1.00 52.14 H new ATOM 0 HB2 ASN A 41 -1.619 6.546 -14.221 1.00 31.41 H new ATOM 0 HB3 ASN A 41 -2.999 6.019 -13.277 1.00 31.41 H new ATOM 0 HD21 ASN A 41 -2.472 8.622 -14.709 1.00 61.43 H new ATOM 0 HD22 ASN A 41 -2.748 9.838 -13.457 1.00 61.43 H new ATOM 649 N LEU A 42 -0.418 3.709 -11.516 1.00 34.15 N ATOM 650 CA LEU A 42 -0.315 2.262 -11.555 1.00 63.25 C ATOM 651 C LEU A 42 -1.549 1.647 -10.929 1.00 24.43 C ATOM 652 O LEU A 42 -2.036 0.604 -11.367 1.00 62.32 O ATOM 653 CB LEU A 42 0.937 1.797 -10.813 1.00 12.52 C ATOM 654 CG LEU A 42 2.259 2.334 -11.374 1.00 2.52 C ATOM 655 CD1 LEU A 42 3.432 1.846 -10.539 1.00 43.04 C ATOM 656 CD2 LEU A 42 2.429 1.921 -12.829 1.00 51.42 C ATOM 0 H LEU A 42 0.099 4.146 -10.753 1.00 34.15 H new ATOM 0 HA LEU A 42 -0.240 1.940 -12.594 1.00 63.25 H new ATOM 0 HB2 LEU A 42 0.854 2.097 -9.768 1.00 12.52 H new ATOM 0 HB3 LEU A 42 0.968 0.708 -10.830 1.00 12.52 H new ATOM 0 HG LEU A 42 2.235 3.423 -11.327 1.00 2.52 H new ATOM 0 HD11 LEU A 42 4.361 2.238 -10.953 1.00 43.04 H new ATOM 0 HD12 LEU A 42 3.317 2.194 -9.512 1.00 43.04 H new ATOM 0 HD13 LEU A 42 3.460 0.756 -10.552 1.00 43.04 H new ATOM 0 HD21 LEU A 42 3.373 2.311 -13.210 1.00 51.42 H new ATOM 0 HD22 LEU A 42 2.431 0.833 -12.901 1.00 51.42 H new ATOM 0 HD23 LEU A 42 1.606 2.322 -13.420 1.00 51.42 H new ATOM 668 N PHE A 43 -2.047 2.310 -9.900 1.00 74.25 N ATOM 669 CA PHE A 43 -3.257 1.885 -9.234 1.00 31.14 C ATOM 670 C PHE A 43 -4.419 2.740 -9.704 1.00 73.04 C ATOM 671 O PHE A 43 -4.330 3.971 -9.718 1.00 2.15 O ATOM 672 CB PHE A 43 -3.090 1.995 -7.719 1.00 54.31 C ATOM 673 CG PHE A 43 -1.868 1.288 -7.209 1.00 3.13 C ATOM 674 CD1 PHE A 43 -1.804 -0.094 -7.207 1.00 65.32 C ATOM 675 CD2 PHE A 43 -0.781 2.005 -6.733 1.00 31.44 C ATOM 676 CE1 PHE A 43 -0.683 -0.747 -6.741 1.00 3.12 C ATOM 677 CE2 PHE A 43 0.344 1.355 -6.265 1.00 43.04 C ATOM 678 CZ PHE A 43 0.394 -0.021 -6.268 1.00 44.12 C ATOM 0 H PHE A 43 -1.625 3.152 -9.508 1.00 74.25 H new ATOM 0 HA PHE A 43 -3.460 0.843 -9.481 1.00 31.14 H new ATOM 0 HB2 PHE A 43 -3.036 3.048 -7.441 1.00 54.31 H new ATOM 0 HB3 PHE A 43 -3.972 1.581 -7.231 1.00 54.31 H new ATOM 0 HD1 PHE A 43 -2.642 -0.668 -7.575 1.00 65.32 H new ATOM 0 HD2 PHE A 43 -0.814 3.084 -6.728 1.00 31.44 H new ATOM 0 HE1 PHE A 43 -0.646 -1.826 -6.745 1.00 3.12 H new ATOM 0 HE2 PHE A 43 1.184 1.926 -5.897 1.00 43.04 H new ATOM 0 HZ PHE A 43 1.272 -0.532 -5.902 1.00 44.12 H new ATOM 688 N GLU A 44 -5.496 2.093 -10.115 1.00 72.43 N ATOM 689 CA GLU A 44 -6.669 2.811 -10.573 1.00 74.41 C ATOM 690 C GLU A 44 -7.323 3.480 -9.377 1.00 3.31 C ATOM 691 O GLU A 44 -7.550 4.691 -9.363 1.00 10.05 O ATOM 692 CB GLU A 44 -7.641 1.850 -11.267 1.00 55.13 C ATOM 693 CG GLU A 44 -8.593 2.522 -12.250 1.00 23.31 C ATOM 694 CD GLU A 44 -9.557 3.486 -11.593 1.00 43.24 C ATOM 695 OE1 GLU A 44 -10.437 3.030 -10.833 1.00 61.24 O ATOM 696 OE2 GLU A 44 -9.438 4.706 -11.833 1.00 12.14 O ATOM 0 H GLU A 44 -5.581 1.077 -10.140 1.00 72.43 H new ATOM 0 HA GLU A 44 -6.384 3.572 -11.300 1.00 74.41 H new ATOM 0 HB2 GLU A 44 -7.066 1.091 -11.797 1.00 55.13 H new ATOM 0 HB3 GLU A 44 -8.227 1.333 -10.507 1.00 55.13 H new ATOM 0 HG2 GLU A 44 -8.010 3.057 -13.000 1.00 23.31 H new ATOM 0 HG3 GLU A 44 -9.161 1.755 -12.776 1.00 23.31 H new ATOM 703 N ALA A 45 -7.598 2.682 -8.362 1.00 61.31 N ATOM 704 CA ALA A 45 -8.134 3.190 -7.116 1.00 11.30 C ATOM 705 C ALA A 45 -7.152 2.927 -5.986 1.00 2.42 C ATOM 706 O ALA A 45 -7.255 1.919 -5.292 1.00 12.15 O ATOM 707 CB ALA A 45 -9.486 2.559 -6.810 1.00 43.14 C ATOM 0 H ALA A 45 -7.457 1.672 -8.378 1.00 61.31 H new ATOM 0 HA ALA A 45 -8.281 4.266 -7.212 1.00 11.30 H new ATOM 0 HB1 ALA A 45 -9.868 2.956 -5.870 1.00 43.14 H new ATOM 0 HB2 ALA A 45 -10.186 2.791 -7.613 1.00 43.14 H new ATOM 0 HB3 ALA A 45 -9.373 1.478 -6.728 1.00 43.14 H new ATOM 713 N LEU A 46 -6.194 3.834 -5.825 1.00 34.54 N ATOM 714 CA LEU A 46 -5.131 3.677 -4.835 1.00 5.24 C ATOM 715 C LEU A 46 -5.704 3.439 -3.442 1.00 0.11 C ATOM 716 O LEU A 46 -5.253 2.549 -2.720 1.00 10.01 O ATOM 717 CB LEU A 46 -4.223 4.913 -4.836 1.00 74.21 C ATOM 718 CG LEU A 46 -3.094 4.903 -3.799 1.00 63.20 C ATOM 719 CD1 LEU A 46 -2.154 3.730 -4.031 1.00 4.52 C ATOM 720 CD2 LEU A 46 -2.326 6.214 -3.841 1.00 11.25 C ATOM 0 H LEU A 46 -6.131 4.693 -6.372 1.00 34.54 H new ATOM 0 HA LEU A 46 -4.540 2.802 -5.107 1.00 5.24 H new ATOM 0 HB2 LEU A 46 -3.782 5.017 -5.827 1.00 74.21 H new ATOM 0 HB3 LEU A 46 -4.840 5.796 -4.667 1.00 74.21 H new ATOM 0 HG LEU A 46 -3.540 4.790 -2.811 1.00 63.20 H new ATOM 0 HD11 LEU A 46 -1.362 3.745 -3.283 1.00 4.52 H new ATOM 0 HD12 LEU A 46 -2.711 2.796 -3.951 1.00 4.52 H new ATOM 0 HD13 LEU A 46 -1.715 3.807 -5.026 1.00 4.52 H new ATOM 0 HD21 LEU A 46 -1.528 6.192 -3.099 1.00 11.25 H new ATOM 0 HD22 LEU A 46 -1.896 6.352 -4.833 1.00 11.25 H new ATOM 0 HD23 LEU A 46 -3.003 7.039 -3.621 1.00 11.25 H new ATOM 732 N VAL A 47 -6.721 4.213 -3.080 1.00 32.55 N ATOM 733 CA VAL A 47 -7.350 4.075 -1.773 1.00 12.14 C ATOM 734 C VAL A 47 -8.070 2.726 -1.656 1.00 23.22 C ATOM 735 O VAL A 47 -8.067 2.101 -0.599 1.00 34.03 O ATOM 736 CB VAL A 47 -8.335 5.236 -1.487 1.00 30.03 C ATOM 737 CG1 VAL A 47 -9.457 5.280 -2.514 1.00 45.13 C ATOM 738 CG2 VAL A 47 -8.902 5.135 -0.079 1.00 32.31 C ATOM 0 H VAL A 47 -7.126 4.939 -3.671 1.00 32.55 H new ATOM 0 HA VAL A 47 -6.558 4.117 -1.025 1.00 12.14 H new ATOM 0 HB VAL A 47 -7.774 6.167 -1.565 1.00 30.03 H new ATOM 0 HG11 VAL A 47 -10.129 6.106 -2.283 1.00 45.13 H new ATOM 0 HG12 VAL A 47 -9.035 5.423 -3.509 1.00 45.13 H new ATOM 0 HG13 VAL A 47 -10.012 4.342 -2.487 1.00 45.13 H new ATOM 0 HG21 VAL A 47 -9.590 5.962 0.096 1.00 32.31 H new ATOM 0 HG22 VAL A 47 -9.434 4.190 0.032 1.00 32.31 H new ATOM 0 HG23 VAL A 47 -8.088 5.181 0.645 1.00 32.31 H new ATOM 748 N GLY A 48 -8.644 2.268 -2.763 1.00 41.43 N ATOM 749 CA GLY A 48 -9.345 0.999 -2.768 1.00 14.10 C ATOM 750 C GLY A 48 -8.395 -0.173 -2.653 1.00 65.14 C ATOM 751 O GLY A 48 -8.675 -1.140 -1.945 1.00 14.41 O ATOM 0 H GLY A 48 -8.636 2.755 -3.659 1.00 41.43 H new ATOM 0 HA2 GLY A 48 -10.054 0.973 -1.941 1.00 14.10 H new ATOM 0 HA3 GLY A 48 -9.924 0.908 -3.687 1.00 14.10 H new ATOM 755 N THR A 49 -7.270 -0.083 -3.347 1.00 30.04 N ATOM 756 CA THR A 49 -6.234 -1.103 -3.275 1.00 62.22 C ATOM 757 C THR A 49 -5.708 -1.225 -1.842 1.00 65.33 C ATOM 758 O THR A 49 -5.477 -2.330 -1.345 1.00 53.00 O ATOM 759 CB THR A 49 -5.079 -0.764 -4.237 1.00 14.12 C ATOM 760 OG1 THR A 49 -5.612 -0.421 -5.523 1.00 22.00 O ATOM 761 CG2 THR A 49 -4.123 -1.937 -4.385 1.00 31.15 C ATOM 0 H THR A 49 -7.050 0.693 -3.972 1.00 30.04 H new ATOM 0 HA THR A 49 -6.667 -2.058 -3.573 1.00 62.22 H new ATOM 0 HB THR A 49 -4.527 0.079 -3.822 1.00 14.12 H new ATOM 0 HG1 THR A 49 -6.040 0.459 -5.476 1.00 22.00 H new ATOM 0 HG21 THR A 49 -3.319 -1.667 -5.070 1.00 31.15 H new ATOM 0 HG22 THR A 49 -3.702 -2.188 -3.412 1.00 31.15 H new ATOM 0 HG23 THR A 49 -4.662 -2.798 -4.780 1.00 31.15 H new ATOM 769 N LEU A 50 -5.543 -0.079 -1.183 1.00 65.04 N ATOM 770 CA LEU A 50 -5.126 -0.045 0.216 1.00 52.13 C ATOM 771 C LEU A 50 -6.162 -0.732 1.100 1.00 53.45 C ATOM 772 O LEU A 50 -5.823 -1.585 1.923 1.00 63.11 O ATOM 773 CB LEU A 50 -4.932 1.401 0.683 1.00 55.32 C ATOM 774 CG LEU A 50 -3.809 2.173 -0.009 1.00 33.45 C ATOM 775 CD1 LEU A 50 -3.820 3.626 0.436 1.00 71.30 C ATOM 776 CD2 LEU A 50 -2.459 1.536 0.284 1.00 72.24 C ATOM 0 H LEU A 50 -5.693 0.841 -1.598 1.00 65.04 H new ATOM 0 HA LEU A 50 -4.178 -0.577 0.299 1.00 52.13 H new ATOM 0 HB2 LEU A 50 -5.867 1.941 0.532 1.00 55.32 H new ATOM 0 HB3 LEU A 50 -4.737 1.395 1.755 1.00 55.32 H new ATOM 0 HG LEU A 50 -3.976 2.136 -1.086 1.00 33.45 H new ATOM 0 HD11 LEU A 50 -3.016 4.166 -0.064 1.00 71.30 H new ATOM 0 HD12 LEU A 50 -4.777 4.079 0.176 1.00 71.30 H new ATOM 0 HD13 LEU A 50 -3.676 3.677 1.515 1.00 71.30 H new ATOM 0 HD21 LEU A 50 -1.674 2.101 -0.218 1.00 72.24 H new ATOM 0 HD22 LEU A 50 -2.280 1.542 1.359 1.00 72.24 H new ATOM 0 HD23 LEU A 50 -2.455 0.508 -0.079 1.00 72.24 H new ATOM 788 N LYS A 51 -7.424 -0.351 0.916 1.00 34.34 N ATOM 789 CA LYS A 51 -8.536 -0.946 1.654 1.00 63.25 C ATOM 790 C LYS A 51 -8.561 -2.461 1.484 1.00 41.05 C ATOM 791 O LYS A 51 -8.644 -3.202 2.463 1.00 71.43 O ATOM 792 CB LYS A 51 -9.861 -0.355 1.165 1.00 62.42 C ATOM 793 CG LYS A 51 -10.090 1.094 1.566 1.00 63.34 C ATOM 794 CD LYS A 51 -10.628 1.205 2.980 1.00 63.22 C ATOM 795 CE LYS A 51 -10.975 2.641 3.337 1.00 44.34 C ATOM 796 NZ LYS A 51 -11.896 2.708 4.502 1.00 35.03 N ATOM 0 H LYS A 51 -7.704 0.374 0.256 1.00 34.34 H new ATOM 0 HA LYS A 51 -8.399 -0.720 2.711 1.00 63.25 H new ATOM 0 HB2 LYS A 51 -9.898 -0.428 0.078 1.00 62.42 H new ATOM 0 HB3 LYS A 51 -10.680 -0.960 1.554 1.00 62.42 H new ATOM 0 HG2 LYS A 51 -9.153 1.646 1.488 1.00 63.34 H new ATOM 0 HG3 LYS A 51 -10.791 1.557 0.872 1.00 63.34 H new ATOM 0 HD2 LYS A 51 -11.515 0.580 3.082 1.00 63.22 H new ATOM 0 HD3 LYS A 51 -9.887 0.824 3.683 1.00 63.22 H new ATOM 0 HE2 LYS A 51 -10.062 3.191 3.562 1.00 44.34 H new ATOM 0 HE3 LYS A 51 -11.437 3.128 2.479 1.00 44.34 H new ATOM 0 HZ1 LYS A 51 -11.951 3.688 4.845 1.00 35.03 H new ATOM 0 HZ2 LYS A 51 -12.843 2.388 4.215 1.00 35.03 H new ATOM 0 HZ3 LYS A 51 -11.539 2.095 5.262 1.00 35.03 H new ATOM 810 N ALA A 52 -8.465 -2.906 0.238 1.00 35.41 N ATOM 811 CA ALA A 52 -8.535 -4.325 -0.093 1.00 61.32 C ATOM 812 C ALA A 52 -7.451 -5.125 0.622 1.00 2.44 C ATOM 813 O ALA A 52 -7.730 -6.148 1.246 1.00 10.20 O ATOM 814 CB ALA A 52 -8.418 -4.514 -1.597 1.00 73.44 C ATOM 0 H ALA A 52 -8.337 -2.297 -0.570 1.00 35.41 H new ATOM 0 HA ALA A 52 -9.501 -4.699 0.246 1.00 61.32 H new ATOM 0 HB1 ALA A 52 -8.471 -5.576 -1.835 1.00 73.44 H new ATOM 0 HB2 ALA A 52 -9.234 -3.989 -2.094 1.00 73.44 H new ATOM 0 HB3 ALA A 52 -7.465 -4.112 -1.941 1.00 73.44 H new ATOM 820 N ALA A 53 -6.213 -4.657 0.534 1.00 1.05 N ATOM 821 CA ALA A 53 -5.094 -5.368 1.137 1.00 22.21 C ATOM 822 C ALA A 53 -5.139 -5.286 2.659 1.00 23.21 C ATOM 823 O ALA A 53 -4.695 -6.202 3.352 1.00 54.53 O ATOM 824 CB ALA A 53 -3.777 -4.826 0.608 1.00 72.11 C ATOM 0 H ALA A 53 -5.959 -3.794 0.054 1.00 1.05 H new ATOM 0 HA ALA A 53 -5.175 -6.419 0.861 1.00 22.21 H new ATOM 0 HB1 ALA A 53 -2.950 -5.367 1.068 1.00 72.11 H new ATOM 0 HB2 ALA A 53 -3.739 -4.955 -0.474 1.00 72.11 H new ATOM 0 HB3 ALA A 53 -3.696 -3.766 0.850 1.00 72.11 H new ATOM 830 N LYS A 54 -5.683 -4.194 3.173 1.00 52.41 N ATOM 831 CA LYS A 54 -5.833 -4.022 4.613 1.00 42.34 C ATOM 832 C LYS A 54 -6.861 -5.013 5.151 1.00 60.42 C ATOM 833 O LYS A 54 -6.659 -5.626 6.197 1.00 54.01 O ATOM 834 CB LYS A 54 -6.257 -2.584 4.935 1.00 41.43 C ATOM 835 CG LYS A 54 -6.295 -2.265 6.424 1.00 32.24 C ATOM 836 CD LYS A 54 -6.668 -0.810 6.668 1.00 12.00 C ATOM 837 CE LYS A 54 -6.667 -0.468 8.149 1.00 62.02 C ATOM 838 NZ LYS A 54 -6.985 0.966 8.390 1.00 32.02 N ATOM 0 H LYS A 54 -6.029 -3.412 2.616 1.00 52.41 H new ATOM 0 HA LYS A 54 -4.874 -4.215 5.094 1.00 42.34 H new ATOM 0 HB2 LYS A 54 -5.569 -1.895 4.444 1.00 41.43 H new ATOM 0 HB3 LYS A 54 -7.245 -2.404 4.511 1.00 41.43 H new ATOM 0 HG2 LYS A 54 -7.016 -2.915 6.919 1.00 32.24 H new ATOM 0 HG3 LYS A 54 -5.321 -2.472 6.868 1.00 32.24 H new ATOM 0 HD2 LYS A 54 -5.965 -0.162 6.145 1.00 12.00 H new ATOM 0 HD3 LYS A 54 -7.655 -0.613 6.250 1.00 12.00 H new ATOM 0 HE2 LYS A 54 -7.395 -1.093 8.666 1.00 62.02 H new ATOM 0 HE3 LYS A 54 -5.690 -0.699 8.574 1.00 62.02 H new ATOM 0 HZ1 LYS A 54 -7.447 1.068 9.316 1.00 32.02 H new ATOM 0 HZ2 LYS A 54 -6.107 1.523 8.378 1.00 32.02 H new ATOM 0 HZ3 LYS A 54 -7.624 1.310 7.645 1.00 32.02 H new ATOM 852 N ARG A 55 -7.948 -5.189 4.407 1.00 33.31 N ATOM 853 CA ARG A 55 -9.012 -6.106 4.802 1.00 15.42 C ATOM 854 C ARG A 55 -8.580 -7.556 4.621 1.00 44.35 C ATOM 855 O ARG A 55 -9.106 -8.455 5.273 1.00 61.52 O ATOM 856 CB ARG A 55 -10.281 -5.824 3.997 1.00 72.43 C ATOM 857 CG ARG A 55 -10.854 -4.442 4.255 1.00 70.34 C ATOM 858 CD ARG A 55 -11.191 -4.259 5.723 1.00 35.42 C ATOM 859 NE ARG A 55 -11.461 -2.865 6.064 1.00 60.32 N ATOM 860 CZ ARG A 55 -11.621 -2.430 7.310 1.00 23.20 C ATOM 861 NH1 ARG A 55 -11.631 -3.286 8.322 1.00 41.14 N ATOM 862 NH2 ARG A 55 -11.787 -1.139 7.550 1.00 32.12 N ATOM 0 H ARG A 55 -8.116 -4.707 3.524 1.00 33.31 H new ATOM 0 HA ARG A 55 -9.223 -5.946 5.859 1.00 15.42 H new ATOM 0 HB2 ARG A 55 -10.061 -5.927 2.934 1.00 72.43 H new ATOM 0 HB3 ARG A 55 -11.033 -6.574 4.241 1.00 72.43 H new ATOM 0 HG2 ARG A 55 -10.136 -3.683 3.946 1.00 70.34 H new ATOM 0 HG3 ARG A 55 -11.750 -4.297 3.652 1.00 70.34 H new ATOM 0 HD2 ARG A 55 -12.062 -4.866 5.971 1.00 35.42 H new ATOM 0 HD3 ARG A 55 -10.364 -4.625 6.331 1.00 35.42 H new ATOM 0 HE ARG A 55 -11.531 -2.188 5.304 1.00 60.32 H new ATOM 0 HH11 ARG A 55 -11.516 -4.284 8.147 1.00 41.14 H new ATOM 0 HH12 ARG A 55 -11.754 -2.947 9.276 1.00 41.14 H new ATOM 0 HH21 ARG A 55 -11.793 -0.473 6.777 1.00 32.12 H new ATOM 0 HH22 ARG A 55 -11.909 -0.810 8.508 1.00 32.12 H new ATOM 876 N ARG A 56 -7.613 -7.777 3.739 1.00 21.30 N ATOM 877 CA ARG A 56 -7.050 -9.108 3.546 1.00 53.43 C ATOM 878 C ARG A 56 -5.943 -9.375 4.561 1.00 60.34 C ATOM 879 O ARG A 56 -5.284 -10.417 4.510 1.00 55.41 O ATOM 880 CB ARG A 56 -6.495 -9.275 2.131 1.00 3.52 C ATOM 881 CG ARG A 56 -7.551 -9.321 1.041 1.00 1.42 C ATOM 882 CD ARG A 56 -6.920 -9.594 -0.315 1.00 35.03 C ATOM 883 NE ARG A 56 -7.913 -9.630 -1.391 1.00 20.54 N ATOM 884 CZ ARG A 56 -7.634 -9.949 -2.659 1.00 34.52 C ATOM 885 NH1 ARG A 56 -6.390 -10.232 -3.027 1.00 63.42 N ATOM 886 NH2 ARG A 56 -8.596 -9.970 -3.569 1.00 55.03 N ATOM 0 H ARG A 56 -7.203 -7.054 3.147 1.00 21.30 H new ATOM 0 HA ARG A 56 -7.855 -9.828 3.692 1.00 53.43 H new ATOM 0 HB2 ARG A 56 -5.812 -8.451 1.923 1.00 3.52 H new ATOM 0 HB3 ARG A 56 -5.909 -10.193 2.090 1.00 3.52 H new ATOM 0 HG2 ARG A 56 -8.281 -10.097 1.269 1.00 1.42 H new ATOM 0 HG3 ARG A 56 -8.090 -8.374 1.012 1.00 1.42 H new ATOM 0 HD2 ARG A 56 -6.180 -8.823 -0.531 1.00 35.03 H new ATOM 0 HD3 ARG A 56 -6.389 -10.545 -0.282 1.00 35.03 H new ATOM 0 HE ARG A 56 -8.878 -9.397 -1.158 1.00 20.54 H new ATOM 0 HH11 ARG A 56 -5.637 -10.207 -2.340 1.00 63.42 H new ATOM 0 HH12 ARG A 56 -6.188 -10.474 -3.997 1.00 63.42 H new ATOM 0 HH21 ARG A 56 -9.554 -9.742 -3.304 1.00 55.03 H new ATOM 0 HH22 ARG A 56 -8.379 -10.214 -4.535 1.00 55.03 H new ATOM 900 N LYS A 57 -5.736 -8.414 5.465 1.00 63.11 N ATOM 901 CA LYS A 57 -4.719 -8.516 6.515 1.00 30.32 C ATOM 902 C LYS A 57 -3.322 -8.581 5.908 1.00 43.44 C ATOM 903 O LYS A 57 -2.384 -9.092 6.519 1.00 41.45 O ATOM 904 CB LYS A 57 -4.976 -9.742 7.399 1.00 13.23 C ATOM 905 CG LYS A 57 -6.256 -9.657 8.217 1.00 51.32 C ATOM 906 CD LYS A 57 -6.114 -8.695 9.387 1.00 64.32 C ATOM 907 CE LYS A 57 -7.386 -8.640 10.221 1.00 72.42 C ATOM 908 NZ LYS A 57 -7.211 -7.832 11.459 1.00 41.41 N ATOM 0 H LYS A 57 -6.268 -7.544 5.490 1.00 63.11 H new ATOM 0 HA LYS A 57 -4.782 -7.623 7.137 1.00 30.32 H new ATOM 0 HB2 LYS A 57 -5.018 -10.630 6.768 1.00 13.23 H new ATOM 0 HB3 LYS A 57 -4.132 -9.872 8.076 1.00 13.23 H new ATOM 0 HG2 LYS A 57 -7.076 -9.332 7.577 1.00 51.32 H new ATOM 0 HG3 LYS A 57 -6.516 -10.648 8.590 1.00 51.32 H new ATOM 0 HD2 LYS A 57 -5.279 -9.005 10.015 1.00 64.32 H new ATOM 0 HD3 LYS A 57 -5.879 -7.698 9.014 1.00 64.32 H new ATOM 0 HE2 LYS A 57 -8.193 -8.216 9.623 1.00 72.42 H new ATOM 0 HE3 LYS A 57 -7.687 -9.653 10.489 1.00 72.42 H new ATOM 0 HZ1 LYS A 57 -8.102 -7.822 11.996 1.00 41.41 H new ATOM 0 HZ2 LYS A 57 -6.459 -8.250 12.043 1.00 41.41 H new ATOM 0 HZ3 LYS A 57 -6.950 -6.858 11.204 1.00 41.41 H new ATOM 922 N ILE A 58 -3.190 -8.039 4.706 1.00 42.54 N ATOM 923 CA ILE A 58 -1.920 -8.037 4.001 1.00 2.13 C ATOM 924 C ILE A 58 -1.103 -6.819 4.392 1.00 15.21 C ATOM 925 O ILE A 58 0.115 -6.891 4.500 1.00 44.55 O ATOM 926 CB ILE A 58 -2.117 -8.043 2.470 1.00 34.42 C ATOM 927 CG1 ILE A 58 -3.028 -9.195 2.055 1.00 44.31 C ATOM 928 CG2 ILE A 58 -0.775 -8.157 1.763 1.00 42.31 C ATOM 929 CD1 ILE A 58 -3.388 -9.188 0.586 1.00 42.32 C ATOM 0 H ILE A 58 -3.953 -7.593 4.197 1.00 42.54 H new ATOM 0 HA ILE A 58 -1.391 -8.947 4.285 1.00 2.13 H new ATOM 0 HB ILE A 58 -2.587 -7.103 2.180 1.00 34.42 H new ATOM 0 HG12 ILE A 58 -2.538 -10.138 2.295 1.00 44.31 H new ATOM 0 HG13 ILE A 58 -3.944 -9.152 2.644 1.00 44.31 H new ATOM 0 HG21 ILE A 58 -0.931 -8.160 0.684 1.00 42.31 H new ATOM 0 HG22 ILE A 58 -0.147 -7.309 2.036 1.00 42.31 H new ATOM 0 HG23 ILE A 58 -0.284 -9.084 2.061 1.00 42.31 H new ATOM 0 HD11 ILE A 58 -4.037 -10.036 0.366 1.00 42.32 H new ATOM 0 HD12 ILE A 58 -3.907 -8.261 0.343 1.00 42.32 H new ATOM 0 HD13 ILE A 58 -2.479 -9.262 -0.012 1.00 42.32 H new ATOM 941 N VAL A 59 -1.778 -5.699 4.607 1.00 45.24 N ATOM 942 CA VAL A 59 -1.113 -4.467 5.010 1.00 70.25 C ATOM 943 C VAL A 59 -1.889 -3.794 6.129 1.00 51.01 C ATOM 944 O VAL A 59 -3.062 -4.096 6.349 1.00 22.20 O ATOM 945 CB VAL A 59 -0.966 -3.468 3.840 1.00 73.12 C ATOM 946 CG1 VAL A 59 -0.148 -4.067 2.706 1.00 63.44 C ATOM 947 CG2 VAL A 59 -2.329 -3.025 3.337 1.00 24.43 C ATOM 0 H VAL A 59 -2.790 -5.618 4.509 1.00 45.24 H new ATOM 0 HA VAL A 59 -0.116 -4.746 5.350 1.00 70.25 H new ATOM 0 HB VAL A 59 -0.434 -2.593 4.214 1.00 73.12 H new ATOM 0 HG11 VAL A 59 -0.061 -3.341 1.897 1.00 63.44 H new ATOM 0 HG12 VAL A 59 0.846 -4.324 3.071 1.00 63.44 H new ATOM 0 HG13 VAL A 59 -0.642 -4.965 2.336 1.00 63.44 H new ATOM 0 HG21 VAL A 59 -2.202 -2.322 2.514 1.00 24.43 H new ATOM 0 HG22 VAL A 59 -2.889 -3.894 2.990 1.00 24.43 H new ATOM 0 HG23 VAL A 59 -2.876 -2.541 4.146 1.00 24.43 H new ATOM 957 N THR A 60 -1.237 -2.893 6.836 1.00 62.51 N ATOM 958 CA THR A 60 -1.899 -2.128 7.871 1.00 54.31 C ATOM 959 C THR A 60 -1.432 -0.680 7.837 1.00 2.14 C ATOM 960 O THR A 60 -0.283 -0.390 7.486 1.00 61.43 O ATOM 961 CB THR A 60 -1.653 -2.731 9.274 1.00 52.22 C ATOM 962 OG1 THR A 60 -2.479 -2.080 10.248 1.00 52.11 O ATOM 963 CG2 THR A 60 -0.191 -2.603 9.683 1.00 62.04 C ATOM 0 H THR A 60 -0.249 -2.673 6.712 1.00 62.51 H new ATOM 0 HA THR A 60 -2.970 -2.166 7.674 1.00 54.31 H new ATOM 0 HB THR A 60 -1.909 -3.790 9.227 1.00 52.22 H new ATOM 0 HG1 THR A 60 -2.315 -2.472 11.131 1.00 52.11 H new ATOM 0 HG21 THR A 60 -0.051 -3.036 10.673 1.00 62.04 H new ATOM 0 HG22 THR A 60 0.435 -3.131 8.964 1.00 62.04 H new ATOM 0 HG23 THR A 60 0.090 -1.550 9.704 1.00 62.04 H new ATOM 971 N TYR A 61 -2.337 0.219 8.182 1.00 13.30 N ATOM 972 CA TYR A 61 -2.040 1.636 8.255 1.00 33.01 C ATOM 973 C TYR A 61 -3.146 2.349 9.026 1.00 12.55 C ATOM 974 O TYR A 61 -4.331 2.081 8.808 1.00 3.22 O ATOM 975 CB TYR A 61 -1.867 2.240 6.850 1.00 31.54 C ATOM 976 CG TYR A 61 -3.095 2.160 5.961 1.00 54.42 C ATOM 977 CD1 TYR A 61 -3.491 0.959 5.384 1.00 32.43 C ATOM 978 CD2 TYR A 61 -3.852 3.294 5.693 1.00 14.12 C ATOM 979 CE1 TYR A 61 -4.606 0.890 4.573 1.00 13.43 C ATOM 980 CE2 TYR A 61 -4.970 3.231 4.882 1.00 61.04 C ATOM 981 CZ TYR A 61 -5.343 2.028 4.327 1.00 50.02 C ATOM 982 OH TYR A 61 -6.457 1.962 3.522 1.00 62.41 O ATOM 0 H TYR A 61 -3.301 -0.015 8.420 1.00 13.30 H new ATOM 0 HA TYR A 61 -1.096 1.772 8.783 1.00 33.01 H new ATOM 0 HB2 TYR A 61 -1.580 3.286 6.954 1.00 31.54 H new ATOM 0 HB3 TYR A 61 -1.042 1.731 6.351 1.00 31.54 H new ATOM 0 HD1 TYR A 61 -2.916 0.064 5.573 1.00 32.43 H new ATOM 0 HD2 TYR A 61 -3.562 4.240 6.125 1.00 14.12 H new ATOM 0 HE1 TYR A 61 -4.899 -0.052 4.133 1.00 13.43 H new ATOM 0 HE2 TYR A 61 -5.548 4.122 4.685 1.00 61.04 H new ATOM 0 HH TYR A 61 -6.863 2.851 3.452 1.00 62.41 H new ATOM 992 N PRO A 62 -2.770 3.237 9.960 1.00 12.42 N ATOM 993 CA PRO A 62 -3.728 3.983 10.776 1.00 53.11 C ATOM 994 C PRO A 62 -4.598 4.915 9.940 1.00 54.11 C ATOM 995 O PRO A 62 -4.119 5.564 9.004 1.00 42.42 O ATOM 996 CB PRO A 62 -2.847 4.799 11.732 1.00 32.15 C ATOM 997 CG PRO A 62 -1.509 4.145 11.682 1.00 70.32 C ATOM 998 CD PRO A 62 -1.383 3.574 10.300 1.00 64.21 C ATOM 0 HA PRO A 62 -4.422 3.315 11.286 1.00 53.11 H new ATOM 0 HB2 PRO A 62 -2.788 5.842 11.420 1.00 32.15 H new ATOM 0 HB3 PRO A 62 -3.252 4.792 12.744 1.00 32.15 H new ATOM 0 HG2 PRO A 62 -0.715 4.864 11.882 1.00 70.32 H new ATOM 0 HG3 PRO A 62 -1.428 3.363 12.437 1.00 70.32 H new ATOM 0 HD2 PRO A 62 -0.959 4.295 9.601 1.00 64.21 H new ATOM 0 HD3 PRO A 62 -0.737 2.696 10.282 1.00 64.21 H new ATOM 1006 N GLY A 63 -5.872 4.983 10.293 1.00 35.33 N ATOM 1007 CA GLY A 63 -6.792 5.836 9.580 1.00 14.10 C ATOM 1008 C GLY A 63 -7.549 5.094 8.494 1.00 72.50 C ATOM 1009 O GLY A 63 -6.971 4.298 7.753 1.00 34.31 O ATOM 0 H GLY A 63 -6.285 4.459 11.065 1.00 35.33 H new ATOM 0 HA2 GLY A 63 -7.503 6.267 10.285 1.00 14.10 H new ATOM 0 HA3 GLY A 63 -6.243 6.665 9.134 1.00 14.10 H new ATOM 1013 N GLU A 64 -8.848 5.343 8.420 1.00 34.35 N ATOM 1014 CA GLU A 64 -9.687 4.779 7.369 1.00 35.54 C ATOM 1015 C GLU A 64 -10.023 5.844 6.335 1.00 54.41 C ATOM 1016 O GLU A 64 -10.487 5.541 5.234 1.00 13.12 O ATOM 1017 CB GLU A 64 -10.974 4.207 7.965 1.00 33.33 C ATOM 1018 CG GLU A 64 -10.803 2.817 8.549 1.00 3.02 C ATOM 1019 CD GLU A 64 -10.508 1.787 7.480 1.00 3.04 C ATOM 1020 OE1 GLU A 64 -11.447 1.403 6.751 1.00 45.43 O ATOM 1021 OE2 GLU A 64 -9.345 1.360 7.363 1.00 24.25 O ATOM 0 H GLU A 64 -9.349 5.937 9.081 1.00 34.35 H new ATOM 0 HA GLU A 64 -9.137 3.974 6.882 1.00 35.54 H new ATOM 0 HB2 GLU A 64 -11.334 4.878 8.744 1.00 33.33 H new ATOM 0 HB3 GLU A 64 -11.741 4.176 7.191 1.00 33.33 H new ATOM 0 HG2 GLU A 64 -9.992 2.827 9.277 1.00 3.02 H new ATOM 0 HG3 GLU A 64 -11.709 2.535 9.085 1.00 3.02 H new ATOM 1028 N LEU A 65 -9.777 7.093 6.706 1.00 10.43 N ATOM 1029 CA LEU A 65 -10.051 8.228 5.842 1.00 61.44 C ATOM 1030 C LEU A 65 -8.905 9.223 5.895 1.00 22.03 C ATOM 1031 O LEU A 65 -8.103 9.217 6.833 1.00 53.22 O ATOM 1032 CB LEU A 65 -11.348 8.930 6.256 1.00 21.35 C ATOM 1033 CG LEU A 65 -12.640 8.183 5.928 1.00 10.10 C ATOM 1034 CD1 LEU A 65 -13.839 8.950 6.463 1.00 62.25 C ATOM 1035 CD2 LEU A 65 -12.767 7.981 4.425 1.00 21.42 C ATOM 0 H LEU A 65 -9.383 7.345 7.612 1.00 10.43 H new ATOM 0 HA LEU A 65 -10.160 7.853 4.825 1.00 61.44 H new ATOM 0 HB2 LEU A 65 -11.316 9.108 7.331 1.00 21.35 H new ATOM 0 HB3 LEU A 65 -11.382 9.906 5.772 1.00 21.35 H new ATOM 0 HG LEU A 65 -12.610 7.204 6.407 1.00 10.10 H new ATOM 0 HD11 LEU A 65 -14.754 8.408 6.223 1.00 62.25 H new ATOM 0 HD12 LEU A 65 -13.751 9.054 7.545 1.00 62.25 H new ATOM 0 HD13 LEU A 65 -13.872 9.939 6.005 1.00 62.25 H new ATOM 0 HD21 LEU A 65 -13.692 7.448 4.206 1.00 21.42 H new ATOM 0 HD22 LEU A 65 -12.781 8.951 3.927 1.00 21.42 H new ATOM 0 HD23 LEU A 65 -11.919 7.400 4.063 1.00 21.42 H new ATOM 1047 N LEU A 66 -8.837 10.064 4.879 1.00 31.14 N ATOM 1048 CA LEU A 66 -7.850 11.124 4.808 1.00 45.30 C ATOM 1049 C LEU A 66 -8.347 12.201 3.860 1.00 33.45 C ATOM 1050 O LEU A 66 -9.092 11.911 2.924 1.00 51.34 O ATOM 1051 CB LEU A 66 -6.480 10.597 4.345 1.00 23.04 C ATOM 1052 CG LEU A 66 -6.437 9.945 2.957 1.00 65.30 C ATOM 1053 CD1 LEU A 66 -5.020 9.981 2.409 1.00 41.42 C ATOM 1054 CD2 LEU A 66 -6.929 8.503 3.014 1.00 64.03 C ATOM 0 H LEU A 66 -9.467 10.030 4.078 1.00 31.14 H new ATOM 0 HA LEU A 66 -7.716 11.539 5.807 1.00 45.30 H new ATOM 0 HB2 LEU A 66 -5.773 11.426 4.356 1.00 23.04 H new ATOM 0 HB3 LEU A 66 -6.128 9.869 5.076 1.00 23.04 H new ATOM 0 HG LEU A 66 -7.097 10.509 2.297 1.00 65.30 H new ATOM 0 HD11 LEU A 66 -4.999 9.516 1.423 1.00 41.42 H new ATOM 0 HD12 LEU A 66 -4.687 11.016 2.329 1.00 41.42 H new ATOM 0 HD13 LEU A 66 -4.356 9.437 3.081 1.00 41.42 H new ATOM 0 HD21 LEU A 66 -6.888 8.065 2.017 1.00 64.03 H new ATOM 0 HD22 LEU A 66 -6.295 7.929 3.689 1.00 64.03 H new ATOM 0 HD23 LEU A 66 -7.957 8.483 3.377 1.00 64.03 H new ATOM 1066 N LEU A 67 -7.960 13.440 4.117 1.00 23.12 N ATOM 1067 CA LEU A 67 -8.381 14.552 3.281 1.00 3.43 C ATOM 1068 C LEU A 67 -7.296 14.880 2.261 1.00 33.04 C ATOM 1069 O LEU A 67 -7.394 14.515 1.089 1.00 41.12 O ATOM 1070 CB LEU A 67 -8.690 15.780 4.143 1.00 62.04 C ATOM 1071 CG LEU A 67 -9.668 15.544 5.299 1.00 4.13 C ATOM 1072 CD1 LEU A 67 -9.868 16.823 6.096 1.00 41.04 C ATOM 1073 CD2 LEU A 67 -11.001 15.026 4.781 1.00 5.22 C ATOM 0 H LEU A 67 -7.356 13.701 4.897 1.00 23.12 H new ATOM 0 HA LEU A 67 -9.288 14.266 2.749 1.00 3.43 H new ATOM 0 HB2 LEU A 67 -7.754 16.159 4.553 1.00 62.04 H new ATOM 0 HB3 LEU A 67 -9.096 16.561 3.500 1.00 62.04 H new ATOM 0 HG LEU A 67 -9.241 14.788 5.958 1.00 4.13 H new ATOM 0 HD11 LEU A 67 -10.565 16.637 6.913 1.00 41.04 H new ATOM 0 HD12 LEU A 67 -8.912 17.151 6.503 1.00 41.04 H new ATOM 0 HD13 LEU A 67 -10.271 17.599 5.444 1.00 41.04 H new ATOM 0 HD21 LEU A 67 -11.679 14.866 5.619 1.00 5.22 H new ATOM 0 HD22 LEU A 67 -11.434 15.756 4.098 1.00 5.22 H new ATOM 0 HD23 LEU A 67 -10.846 14.084 4.255 1.00 5.22 H new ATOM 1085 N GLN A 68 -6.253 15.556 2.722 1.00 10.21 N ATOM 1086 CA GLN A 68 -5.120 15.886 1.875 1.00 2.34 C ATOM 1087 C GLN A 68 -3.997 14.881 2.104 1.00 23.11 C ATOM 1088 O GLN A 68 -4.189 13.871 2.785 1.00 71.03 O ATOM 1089 CB GLN A 68 -4.616 17.307 2.164 1.00 33.33 C ATOM 1090 CG GLN A 68 -5.498 18.430 1.626 1.00 51.10 C ATOM 1091 CD GLN A 68 -6.845 18.531 2.318 1.00 55.34 C ATOM 1092 OE1 GLN A 68 -7.833 17.943 1.877 1.00 33.33 O ATOM 1093 NE2 GLN A 68 -6.893 19.275 3.411 1.00 44.14 N ATOM 0 H GLN A 68 -6.170 15.887 3.683 1.00 10.21 H new ATOM 0 HA GLN A 68 -5.442 15.842 0.835 1.00 2.34 H new ATOM 0 HB2 GLN A 68 -4.518 17.428 3.243 1.00 33.33 H new ATOM 0 HB3 GLN A 68 -3.618 17.415 1.739 1.00 33.33 H new ATOM 0 HG2 GLN A 68 -4.971 19.378 1.735 1.00 51.10 H new ATOM 0 HG3 GLN A 68 -5.658 18.275 0.559 1.00 51.10 H new ATOM 0 HE21 GLN A 68 -6.052 19.746 3.744 1.00 44.14 H new ATOM 0 HE22 GLN A 68 -7.771 19.377 3.920 1.00 44.14 H new ATOM 1102 N GLY A 69 -2.819 15.171 1.564 1.00 71.32 N ATOM 1103 CA GLY A 69 -1.690 14.268 1.710 1.00 2.32 C ATOM 1104 C GLY A 69 -0.987 14.427 3.048 1.00 24.43 C ATOM 1105 O GLY A 69 0.234 14.337 3.132 1.00 52.34 O ATOM 0 H GLY A 69 -2.624 16.016 1.027 1.00 71.32 H new ATOM 0 HA2 GLY A 69 -2.035 13.240 1.605 1.00 2.32 H new ATOM 0 HA3 GLY A 69 -0.978 14.449 0.905 1.00 2.32 H new ATOM 1109 N VAL A 70 -1.768 14.646 4.100 1.00 44.24 N ATOM 1110 CA VAL A 70 -1.223 14.849 5.438 1.00 40.32 C ATOM 1111 C VAL A 70 -0.784 13.516 6.042 1.00 22.12 C ATOM 1112 O VAL A 70 -0.004 13.469 6.992 1.00 23.14 O ATOM 1113 CB VAL A 70 -2.258 15.536 6.360 1.00 72.24 C ATOM 1114 CG1 VAL A 70 -3.439 14.616 6.633 1.00 34.53 C ATOM 1115 CG2 VAL A 70 -1.611 15.998 7.660 1.00 50.41 C ATOM 0 H VAL A 70 -2.786 14.688 4.052 1.00 44.24 H new ATOM 0 HA VAL A 70 -0.354 15.502 5.353 1.00 40.32 H new ATOM 0 HB VAL A 70 -2.634 16.419 5.843 1.00 72.24 H new ATOM 0 HG11 VAL A 70 -4.152 15.123 7.283 1.00 34.53 H new ATOM 0 HG12 VAL A 70 -3.925 14.359 5.692 1.00 34.53 H new ATOM 0 HG13 VAL A 70 -3.087 13.706 7.120 1.00 34.53 H new ATOM 0 HG21 VAL A 70 -2.361 16.477 8.289 1.00 50.41 H new ATOM 0 HG22 VAL A 70 -1.193 15.138 8.184 1.00 50.41 H new ATOM 0 HG23 VAL A 70 -0.815 16.709 7.438 1.00 50.41 H new ATOM 1125 N HIS A 71 -1.261 12.428 5.449 1.00 43.10 N ATOM 1126 CA HIS A 71 -0.941 11.086 5.921 1.00 44.31 C ATOM 1127 C HIS A 71 0.426 10.633 5.423 1.00 13.20 C ATOM 1128 O HIS A 71 0.741 9.448 5.461 1.00 73.12 O ATOM 1129 CB HIS A 71 -2.021 10.083 5.500 1.00 54.22 C ATOM 1130 CG HIS A 71 -3.171 9.998 6.460 1.00 24.13 C ATOM 1131 ND1 HIS A 71 -3.697 8.802 6.903 1.00 71.05 N ATOM 1132 CD2 HIS A 71 -3.898 10.968 7.062 1.00 72.51 C ATOM 1133 CE1 HIS A 71 -4.697 9.042 7.733 1.00 13.43 C ATOM 1134 NE2 HIS A 71 -4.841 10.349 7.844 1.00 52.24 N ATOM 0 H HIS A 71 -1.875 12.450 4.635 1.00 43.10 H new ATOM 0 HA HIS A 71 -0.909 11.123 7.010 1.00 44.31 H new ATOM 0 HB2 HIS A 71 -2.400 10.362 4.517 1.00 54.22 H new ATOM 0 HB3 HIS A 71 -1.569 9.096 5.400 1.00 54.22 H new ATOM 0 HD2 HIS A 71 -3.761 12.033 6.948 1.00 72.51 H new ATOM 0 HE1 HIS A 71 -5.295 8.296 8.235 1.00 13.43 H new ATOM 0 HE2 HIS A 71 -5.539 10.822 8.417 1.00 52.24 H new ATOM 1143 N ASP A 72 1.232 11.583 4.956 1.00 51.32 N ATOM 1144 CA ASP A 72 2.591 11.296 4.491 1.00 2.25 C ATOM 1145 C ASP A 72 3.408 10.583 5.562 1.00 21.35 C ATOM 1146 O ASP A 72 4.236 9.732 5.256 1.00 42.44 O ATOM 1147 CB ASP A 72 3.303 12.590 4.083 1.00 3.21 C ATOM 1148 CG ASP A 72 4.787 12.381 3.821 1.00 52.41 C ATOM 1149 OD1 ASP A 72 5.138 11.798 2.779 1.00 30.11 O ATOM 1150 OD2 ASP A 72 5.612 12.812 4.660 1.00 34.23 O ATOM 0 H ASP A 72 0.967 12.566 4.888 1.00 51.32 H new ATOM 0 HA ASP A 72 2.507 10.639 3.626 1.00 2.25 H new ATOM 0 HB2 ASP A 72 2.832 12.993 3.186 1.00 3.21 H new ATOM 0 HB3 ASP A 72 3.178 13.334 4.870 1.00 3.21 H new ATOM 1155 N ASP A 73 3.132 10.897 6.822 1.00 0.21 N ATOM 1156 CA ASP A 73 3.907 10.356 7.937 1.00 5.11 C ATOM 1157 C ASP A 73 3.382 8.974 8.334 1.00 13.53 C ATOM 1158 O ASP A 73 3.940 8.300 9.203 1.00 62.41 O ATOM 1159 CB ASP A 73 3.841 11.321 9.129 1.00 11.42 C ATOM 1160 CG ASP A 73 4.680 10.873 10.314 1.00 5.11 C ATOM 1161 OD1 ASP A 73 5.909 11.104 10.301 1.00 23.45 O ATOM 1162 OD2 ASP A 73 4.110 10.319 11.280 1.00 1.01 O ATOM 0 H ASP A 73 2.377 11.524 7.100 1.00 0.21 H new ATOM 0 HA ASP A 73 4.946 10.247 7.627 1.00 5.11 H new ATOM 0 HB2 ASP A 73 4.176 12.307 8.808 1.00 11.42 H new ATOM 0 HB3 ASP A 73 2.803 11.425 9.446 1.00 11.42 H new ATOM 1167 N VAL A 74 2.317 8.548 7.674 1.00 1.11 N ATOM 1168 CA VAL A 74 1.767 7.221 7.890 1.00 44.21 C ATOM 1169 C VAL A 74 2.527 6.203 7.052 1.00 22.04 C ATOM 1170 O VAL A 74 2.598 6.317 5.827 1.00 24.14 O ATOM 1171 CB VAL A 74 0.262 7.160 7.536 1.00 51.51 C ATOM 1172 CG1 VAL A 74 -0.270 5.741 7.670 1.00 52.25 C ATOM 1173 CG2 VAL A 74 -0.535 8.108 8.416 1.00 34.31 C ATOM 0 H VAL A 74 1.815 9.105 6.982 1.00 1.11 H new ATOM 0 HA VAL A 74 1.875 6.987 8.949 1.00 44.21 H new ATOM 0 HB VAL A 74 0.148 7.472 6.498 1.00 51.51 H new ATOM 0 HG11 VAL A 74 -1.330 5.724 7.416 1.00 52.25 H new ATOM 0 HG12 VAL A 74 0.276 5.083 6.994 1.00 52.25 H new ATOM 0 HG13 VAL A 74 -0.138 5.398 8.696 1.00 52.25 H new ATOM 0 HG21 VAL A 74 -1.591 8.050 8.151 1.00 34.31 H new ATOM 0 HG22 VAL A 74 -0.407 7.828 9.462 1.00 34.31 H new ATOM 0 HG23 VAL A 74 -0.179 9.128 8.268 1.00 34.31 H new ATOM 1183 N ASP A 75 3.111 5.223 7.717 1.00 44.22 N ATOM 1184 CA ASP A 75 3.820 4.158 7.031 1.00 72.50 C ATOM 1185 C ASP A 75 2.893 2.981 6.805 1.00 61.02 C ATOM 1186 O ASP A 75 2.247 2.501 7.740 1.00 1.44 O ATOM 1187 CB ASP A 75 5.043 3.701 7.829 1.00 3.45 C ATOM 1188 CG ASP A 75 6.160 4.720 7.839 1.00 22.42 C ATOM 1189 OD1 ASP A 75 6.924 4.779 6.857 1.00 23.41 O ATOM 1190 OD2 ASP A 75 6.302 5.444 8.849 1.00 23.31 O ATOM 0 H ASP A 75 3.108 5.142 8.734 1.00 44.22 H new ATOM 0 HA ASP A 75 4.162 4.546 6.072 1.00 72.50 H new ATOM 0 HB2 ASP A 75 4.742 3.491 8.855 1.00 3.45 H new ATOM 0 HB3 ASP A 75 5.415 2.767 7.408 1.00 3.45 H new ATOM 1195 N ILE A 76 2.821 2.530 5.566 1.00 62.24 N ATOM 1196 CA ILE A 76 2.011 1.379 5.220 1.00 73.23 C ATOM 1197 C ILE A 76 2.836 0.117 5.439 1.00 75.53 C ATOM 1198 O ILE A 76 3.793 -0.145 4.708 1.00 44.42 O ATOM 1199 CB ILE A 76 1.525 1.432 3.755 1.00 33.55 C ATOM 1200 CG1 ILE A 76 1.039 2.843 3.384 1.00 30.12 C ATOM 1201 CG2 ILE A 76 0.418 0.408 3.533 1.00 73.12 C ATOM 1202 CD1 ILE A 76 -0.090 3.364 4.245 1.00 64.43 C ATOM 0 H ILE A 76 3.318 2.947 4.779 1.00 62.24 H new ATOM 0 HA ILE A 76 1.127 1.379 5.857 1.00 73.23 H new ATOM 0 HB ILE A 76 2.366 1.188 3.106 1.00 33.55 H new ATOM 0 HG12 ILE A 76 1.880 3.533 3.453 1.00 30.12 H new ATOM 0 HG13 ILE A 76 0.714 2.840 2.344 1.00 30.12 H new ATOM 0 HG21 ILE A 76 0.083 0.454 2.497 1.00 73.12 H new ATOM 0 HG22 ILE A 76 0.798 -0.591 3.748 1.00 73.12 H new ATOM 0 HG23 ILE A 76 -0.419 0.628 4.195 1.00 73.12 H new ATOM 0 HD11 ILE A 76 -0.369 4.364 3.913 1.00 64.43 H new ATOM 0 HD12 ILE A 76 -0.950 2.700 4.158 1.00 64.43 H new ATOM 0 HD13 ILE A 76 0.234 3.404 5.285 1.00 64.43 H new ATOM 1214 N ILE A 77 2.481 -0.643 6.461 1.00 5.12 N ATOM 1215 CA ILE A 77 3.264 -1.804 6.856 1.00 15.03 C ATOM 1216 C ILE A 77 2.704 -3.077 6.235 1.00 11.35 C ATOM 1217 O ILE A 77 1.516 -3.371 6.367 1.00 11.12 O ATOM 1218 CB ILE A 77 3.298 -1.951 8.393 1.00 22.23 C ATOM 1219 CG1 ILE A 77 3.783 -0.650 9.039 1.00 34.23 C ATOM 1220 CG2 ILE A 77 4.199 -3.112 8.796 1.00 41.33 C ATOM 1221 CD1 ILE A 77 3.756 -0.670 10.552 1.00 61.14 C ATOM 0 H ILE A 77 1.654 -0.477 7.034 1.00 5.12 H new ATOM 0 HA ILE A 77 4.280 -1.651 6.493 1.00 15.03 H new ATOM 0 HB ILE A 77 2.288 -2.160 8.745 1.00 22.23 H new ATOM 0 HG12 ILE A 77 4.801 -0.448 8.706 1.00 34.23 H new ATOM 0 HG13 ILE A 77 3.163 0.173 8.685 1.00 34.23 H new ATOM 0 HG21 ILE A 77 4.212 -3.202 9.882 1.00 41.33 H new ATOM 0 HG22 ILE A 77 3.819 -4.036 8.360 1.00 41.33 H new ATOM 0 HG23 ILE A 77 5.211 -2.930 8.435 1.00 41.33 H new ATOM 0 HD11 ILE A 77 4.114 0.286 10.935 1.00 61.14 H new ATOM 0 HD12 ILE A 77 2.736 -0.840 10.895 1.00 61.14 H new ATOM 0 HD13 ILE A 77 4.399 -1.471 10.917 1.00 61.14 H new ATOM 1233 N LEU A 78 3.566 -3.822 5.555 1.00 2.44 N ATOM 1234 CA LEU A 78 3.182 -5.093 4.963 1.00 31.10 C ATOM 1235 C LEU A 78 3.173 -6.178 6.037 1.00 31.31 C ATOM 1236 O LEU A 78 4.221 -6.558 6.559 1.00 44.45 O ATOM 1237 CB LEU A 78 4.159 -5.466 3.842 1.00 41.02 C ATOM 1238 CG LEU A 78 3.777 -6.690 3.010 1.00 75.32 C ATOM 1239 CD1 LEU A 78 2.547 -6.397 2.169 1.00 4.04 C ATOM 1240 CD2 LEU A 78 4.942 -7.115 2.130 1.00 31.04 C ATOM 0 H LEU A 78 4.541 -3.564 5.400 1.00 2.44 H new ATOM 0 HA LEU A 78 2.182 -5.004 4.539 1.00 31.10 H new ATOM 0 HB2 LEU A 78 4.259 -4.611 3.173 1.00 41.02 H new ATOM 0 HB3 LEU A 78 5.140 -5.641 4.284 1.00 41.02 H new ATOM 0 HG LEU A 78 3.540 -7.511 3.686 1.00 75.32 H new ATOM 0 HD11 LEU A 78 2.289 -7.279 1.583 1.00 4.04 H new ATOM 0 HD12 LEU A 78 1.713 -6.138 2.822 1.00 4.04 H new ATOM 0 HD13 LEU A 78 2.755 -5.564 1.498 1.00 4.04 H new ATOM 0 HD21 LEU A 78 4.655 -7.988 1.543 1.00 31.04 H new ATOM 0 HD22 LEU A 78 5.208 -6.298 1.459 1.00 31.04 H new ATOM 0 HD23 LEU A 78 5.799 -7.364 2.756 1.00 31.04 H new ATOM 1252 N LEU A 79 1.984 -6.651 6.371 1.00 22.03 N ATOM 1253 CA LEU A 79 1.809 -7.663 7.404 1.00 54.22 C ATOM 1254 C LEU A 79 2.007 -9.057 6.831 1.00 73.25 C ATOM 1255 O LEU A 79 2.546 -9.944 7.494 1.00 64.54 O ATOM 1256 CB LEU A 79 0.408 -7.566 8.011 1.00 55.41 C ATOM 1257 CG LEU A 79 0.075 -6.243 8.695 1.00 52.42 C ATOM 1258 CD1 LEU A 79 -1.379 -6.233 9.136 1.00 15.12 C ATOM 1259 CD2 LEU A 79 0.992 -6.013 9.887 1.00 1.25 C ATOM 0 H LEU A 79 1.113 -6.346 5.936 1.00 22.03 H new ATOM 0 HA LEU A 79 2.556 -7.485 8.178 1.00 54.22 H new ATOM 0 HB2 LEU A 79 -0.323 -7.740 7.222 1.00 55.41 H new ATOM 0 HB3 LEU A 79 0.290 -8.370 8.738 1.00 55.41 H new ATOM 0 HG LEU A 79 0.230 -5.434 7.981 1.00 52.42 H new ATOM 0 HD11 LEU A 79 -1.605 -5.284 9.623 1.00 15.12 H new ATOM 0 HD12 LEU A 79 -2.024 -6.357 8.266 1.00 15.12 H new ATOM 0 HD13 LEU A 79 -1.553 -7.050 9.836 1.00 15.12 H new ATOM 0 HD21 LEU A 79 0.740 -5.065 10.362 1.00 1.25 H new ATOM 0 HD22 LEU A 79 0.866 -6.824 10.605 1.00 1.25 H new ATOM 0 HD23 LEU A 79 2.028 -5.985 9.549 1.00 1.25 H new ATOM 1271 N GLN A 80 1.563 -9.245 5.598 1.00 40.32 N ATOM 1272 CA GLN A 80 1.644 -10.541 4.956 1.00 34.45 C ATOM 1273 C GLN A 80 2.463 -10.440 3.678 1.00 12.10 C ATOM 1274 O GLN A 80 2.220 -9.568 2.845 1.00 23.11 O ATOM 1275 CB GLN A 80 0.235 -11.049 4.638 1.00 32.44 C ATOM 1276 CG GLN A 80 0.192 -12.481 4.135 1.00 24.34 C ATOM 1277 CD GLN A 80 -1.212 -12.937 3.774 1.00 32.34 C ATOM 1278 OE1 GLN A 80 -2.035 -12.022 3.276 1.00 30.24 O flip ATOM 1279 NE2 GLN A 80 -1.554 -14.106 3.932 1.00 11.43 N flip ATOM 0 H GLN A 80 1.143 -8.514 5.024 1.00 40.32 H new ATOM 0 HA GLN A 80 2.133 -11.244 5.631 1.00 34.45 H new ATOM 0 HB2 GLN A 80 -0.379 -10.972 5.535 1.00 32.44 H new ATOM 0 HB3 GLN A 80 -0.214 -10.398 3.888 1.00 32.44 H new ATOM 0 HG2 GLN A 80 0.835 -12.573 3.260 1.00 24.34 H new ATOM 0 HG3 GLN A 80 0.598 -13.142 4.900 1.00 24.34 H new ATOM 0 HE21 GLN A 80 -0.895 -14.782 4.317 1.00 11.43 H new ATOM 0 HE22 GLN A 80 -2.497 -14.400 3.678 1.00 11.43 H new ATOM 1288 N ASP A 81 3.414 -11.346 3.518 1.00 52.34 N ATOM 1289 CA ASP A 81 4.261 -11.364 2.335 1.00 72.21 C ATOM 1290 C ASP A 81 3.614 -12.211 1.252 1.00 74.51 C ATOM 1291 O ASP A 81 3.575 -13.435 1.347 1.00 51.31 O ATOM 1292 CB ASP A 81 5.651 -11.903 2.680 1.00 13.15 C ATOM 1293 CG ASP A 81 6.553 -12.032 1.466 1.00 43.12 C ATOM 1294 OD1 ASP A 81 7.048 -11.001 0.971 1.00 73.53 O ATOM 1295 OD2 ASP A 81 6.776 -13.174 1.012 1.00 62.41 O ATOM 0 H ASP A 81 3.620 -12.081 4.195 1.00 52.34 H new ATOM 0 HA ASP A 81 4.374 -10.345 1.965 1.00 72.21 H new ATOM 0 HB2 ASP A 81 6.122 -11.241 3.407 1.00 13.15 H new ATOM 0 HB3 ASP A 81 5.549 -12.878 3.156 1.00 13.15 H new ATOM 1300 N LEU A 82 3.069 -11.550 0.245 1.00 4.33 N ATOM 1301 CA LEU A 82 2.365 -12.242 -0.822 1.00 63.31 C ATOM 1302 C LEU A 82 3.310 -12.509 -1.988 1.00 11.51 C ATOM 1303 O LEU A 82 3.630 -13.659 -2.292 1.00 52.12 O ATOM 1304 CB LEU A 82 1.142 -11.419 -1.263 1.00 60.45 C ATOM 1305 CG LEU A 82 0.070 -12.175 -2.068 1.00 31.11 C ATOM 1306 CD1 LEU A 82 0.474 -12.326 -3.524 1.00 21.41 C ATOM 1307 CD2 LEU A 82 -0.191 -13.542 -1.450 1.00 41.12 C ATOM 0 H LEU A 82 3.100 -10.536 0.144 1.00 4.33 H new ATOM 0 HA LEU A 82 2.009 -13.205 -0.456 1.00 63.31 H new ATOM 0 HB2 LEU A 82 0.671 -11.001 -0.373 1.00 60.45 H new ATOM 0 HB3 LEU A 82 1.492 -10.579 -1.863 1.00 60.45 H new ATOM 0 HG LEU A 82 -0.848 -11.588 -2.033 1.00 31.11 H new ATOM 0 HD11 LEU A 82 -0.305 -12.864 -4.064 1.00 21.41 H new ATOM 0 HD12 LEU A 82 0.608 -11.340 -3.968 1.00 21.41 H new ATOM 0 HD13 LEU A 82 1.409 -12.882 -3.586 1.00 21.41 H new ATOM 0 HD21 LEU A 82 -0.951 -14.065 -2.030 1.00 41.12 H new ATOM 0 HD22 LEU A 82 0.731 -14.124 -1.452 1.00 41.12 H new ATOM 0 HD23 LEU A 82 -0.539 -13.417 -0.425 1.00 41.12 H new ATOM 1319 N GLU A 83 3.758 -11.445 -2.627 1.00 30.21 N ATOM 1320 CA GLU A 83 4.698 -11.559 -3.731 1.00 43.43 C ATOM 1321 C GLU A 83 6.123 -11.360 -3.229 1.00 44.11 C ATOM 1322 O GLU A 83 6.582 -10.229 -3.056 1.00 3.51 O ATOM 1323 CB GLU A 83 4.374 -10.534 -4.823 1.00 22.14 C ATOM 1324 CG GLU A 83 3.042 -10.774 -5.515 1.00 63.55 C ATOM 1325 CD GLU A 83 3.049 -12.009 -6.394 1.00 22.03 C ATOM 1326 OE1 GLU A 83 2.933 -13.133 -5.864 1.00 61.14 O ATOM 1327 OE2 GLU A 83 3.170 -11.861 -7.626 1.00 3.32 O ATOM 0 H GLU A 83 3.486 -10.488 -2.401 1.00 30.21 H new ATOM 0 HA GLU A 83 4.610 -12.558 -4.159 1.00 43.43 H new ATOM 0 HB2 GLU A 83 4.369 -9.537 -4.382 1.00 22.14 H new ATOM 0 HB3 GLU A 83 5.168 -10.549 -5.569 1.00 22.14 H new ATOM 0 HG2 GLU A 83 2.260 -10.874 -4.762 1.00 63.55 H new ATOM 0 HG3 GLU A 83 2.791 -9.904 -6.121 1.00 63.55 H new ATOM 1334 N HIS A 84 6.813 -12.460 -2.982 1.00 31.44 N ATOM 1335 CA HIS A 84 8.156 -12.399 -2.432 1.00 11.42 C ATOM 1336 C HIS A 84 9.186 -12.349 -3.550 1.00 64.31 C ATOM 1337 O HIS A 84 9.461 -13.358 -4.198 1.00 61.50 O ATOM 1338 CB HIS A 84 8.421 -13.607 -1.529 1.00 30.24 C ATOM 1339 CG HIS A 84 9.686 -13.498 -0.734 1.00 21.22 C ATOM 1340 ND1 HIS A 84 10.819 -14.231 -1.012 1.00 60.24 N ATOM 1341 CD2 HIS A 84 9.992 -12.732 0.342 1.00 13.00 C ATOM 1342 CE1 HIS A 84 11.763 -13.922 -0.144 1.00 4.23 C ATOM 1343 NE2 HIS A 84 11.289 -13.014 0.686 1.00 24.01 N ATOM 0 H HIS A 84 6.467 -13.404 -3.153 1.00 31.44 H new ATOM 0 HA HIS A 84 8.241 -11.491 -1.836 1.00 11.42 H new ATOM 0 HB2 HIS A 84 7.581 -13.729 -0.845 1.00 30.24 H new ATOM 0 HB3 HIS A 84 8.465 -14.506 -2.143 1.00 30.24 H new ATOM 0 HD2 HIS A 84 9.336 -12.030 0.836 1.00 13.00 H new ATOM 0 HE1 HIS A 84 12.757 -14.342 -0.118 1.00 4.23 H new ATOM 0 HE2 HIS A 84 11.803 -12.590 1.458 1.00 24.01 H new ATOM 1352 N HIS A 85 9.731 -11.169 -3.791 1.00 51.30 N ATOM 1353 CA HIS A 85 10.769 -10.993 -4.797 1.00 55.33 C ATOM 1354 C HIS A 85 11.885 -10.139 -4.227 1.00 24.13 C ATOM 1355 O HIS A 85 12.968 -10.683 -3.952 1.00 4.32 O ATOM 1356 CB HIS A 85 10.211 -10.348 -6.069 1.00 1.21 C ATOM 1357 CG HIS A 85 9.133 -11.150 -6.726 1.00 25.42 C ATOM 1358 ND1 HIS A 85 7.825 -10.732 -6.794 1.00 43.23 N ATOM 1359 CD2 HIS A 85 9.172 -12.356 -7.336 1.00 13.44 C ATOM 1360 CE1 HIS A 85 7.104 -11.646 -7.411 1.00 71.44 C ATOM 1361 NE2 HIS A 85 7.896 -12.645 -7.752 1.00 72.13 N ATOM 0 H HIS A 85 9.471 -10.313 -3.301 1.00 51.30 H new ATOM 0 HA HIS A 85 11.157 -11.975 -5.066 1.00 55.33 H new ATOM 0 HB2 HIS A 85 9.819 -9.361 -5.824 1.00 1.21 H new ATOM 0 HB3 HIS A 85 11.025 -10.200 -6.778 1.00 1.21 H new ATOM 0 HD1 HIS A 85 7.468 -9.851 -6.424 1.00 43.23 H new ATOM 0 HD2 HIS A 85 10.045 -12.977 -7.471 1.00 13.44 H new ATOM 0 HE1 HIS A 85 6.043 -11.587 -7.605 1.00 71.44 H new TER 1370 HIS A 85