USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 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 73 SER OG : rot -106:sc= -0.861! USER MOD Set 1.2: A 101 THR OG1 : rot -157:sc= 0.271 USER MOD Set 2.1: A 5 TYR OH : rot 97:sc= -1.71! USER MOD Set 2.2: A 57 TYR OH : rot -112:sc= 0.21! USER MOD Set 3.1: A 7 ASN : amide:sc= -1.29 X(o=-0.86,f=-0.58!) USER MOD Set 3.2: A 10 THR OG1 : rot 40:sc= 0.432 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 63:sc= 1.11 USER MOD Single : A 14 GLN : amide:sc= -2.65! C(o=-2.7!,f=-5.9!) USER MOD Single : A 18 MET CE :methyl 169:sc= 0 (180deg=-0.221) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 25:sc= 0.053 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 40 MET CE :methyl -122:sc= -9.01! (180deg=-17!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.91! X(o=-2.9!,f=-2.4) USER MOD Single : A 76 LYS NZ :NH3+ -142:sc= -0.0382 (180deg=-0.465) USER MOD Single : A 82 MET CE :methyl -172:sc= 0 (180deg=-0.0496) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= -3.14! USER MOD Single : A 105 SER OG : rot 180:sc= -0.325 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -25:sc= 0.914 USER MOD Single : A 116 ASN : amide:sc= -0.115 X(o=-0.11,f=0.12) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -28.6! C(o=-29!,f=-29!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.656 5.780 30.849 1.00 3.92 N ATOM 2 CA PRO A 1 2.892 6.961 29.972 1.00 3.44 C ATOM 3 C PRO A 1 1.843 8.043 30.242 1.00 3.50 C ATOM 4 O PRO A 1 0.711 7.753 30.574 1.00 4.94 O ATOM 5 CB PRO A 1 2.742 6.402 28.560 1.00 2.00 C ATOM 6 CG PRO A 1 1.867 5.204 28.716 1.00 4.99 C ATOM 7 CD PRO A 1 2.136 4.641 30.087 1.00 3.38 C ATOM 0 H2 PRO A 1 1.996 6.028 31.586 1.00 3.92 H new ATOM 0 H3 PRO A 1 3.528 5.515 31.307 1.00 3.92 H new ATOM 0 HA PRO A 1 3.863 7.427 30.137 1.00 3.44 H new ATOM 0 HB2 PRO A 1 2.293 7.135 27.890 1.00 2.00 H new ATOM 0 HB3 PRO A 1 3.709 6.133 28.136 1.00 2.00 H new ATOM 0 HG2 PRO A 1 0.817 5.476 28.610 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.084 4.464 27.945 1.00 4.99 H new ATOM 0 HD2 PRO A 1 1.228 4.241 30.538 1.00 3.38 H new ATOM 0 HD3 PRO A 1 2.858 3.825 30.048 1.00 3.38 H new ATOM 17 N THR A 2 2.210 9.288 30.103 1.00 3.08 N ATOM 18 CA THR A 2 1.229 10.384 30.354 1.00 2.08 C ATOM 19 C THR A 2 0.996 11.184 29.071 1.00 2.52 C ATOM 20 O THR A 2 1.922 11.525 28.364 1.00 2.28 O ATOM 21 CB THR A 2 1.878 11.261 31.425 1.00 3.47 C ATOM 22 OG1 THR A 2 2.055 10.503 32.614 1.00 3.73 O ATOM 23 CG2 THR A 2 0.981 12.466 31.713 1.00 3.09 C ATOM 0 H THR A 2 3.143 9.594 29.827 1.00 3.08 H new ATOM 0 HA THR A 2 0.258 10.006 30.674 1.00 2.08 H new ATOM 0 HB THR A 2 2.848 11.610 31.070 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.473 11.064 33.300 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.445 13.090 32.477 1.00 3.09 H new ATOM 0 HG22 THR A 2 0.848 13.047 30.800 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.010 12.120 32.067 1.00 3.09 H new ATOM 31 N VAL A 3 -0.234 11.487 28.765 1.00 10.00 N ATOM 32 CA VAL A 3 -0.523 12.267 27.529 1.00 10.00 C ATOM 33 C VAL A 3 -1.191 13.596 27.889 1.00 10.00 C ATOM 34 O VAL A 3 -1.546 13.835 29.027 1.00 10.00 O ATOM 35 CB VAL A 3 -1.474 11.386 26.718 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.623 11.962 25.308 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.904 9.969 26.633 1.00 10.00 C ATOM 0 H VAL A 3 -1.052 11.229 29.317 1.00 10.00 H new ATOM 0 HA VAL A 3 0.381 12.509 26.970 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.449 11.358 27.204 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.301 11.335 24.729 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.026 12.973 25.369 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -0.648 11.989 24.821 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.580 9.339 26.055 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.071 9.997 26.146 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.796 9.560 27.637 1.00 10.00 H new ATOM 47 N GLU A 4 -1.362 14.464 26.932 1.00 10.00 N ATOM 48 CA GLU A 4 -2.003 15.777 27.225 1.00 10.00 C ATOM 49 C GLU A 4 -3.085 16.082 26.187 1.00 10.00 C ATOM 50 O GLU A 4 -2.814 16.182 25.006 1.00 10.00 O ATOM 51 CB GLU A 4 -0.869 16.797 27.132 1.00 50.00 C ATOM 52 CG GLU A 4 -0.906 17.715 28.355 1.00 50.00 C ATOM 53 CD GLU A 4 0.516 17.905 28.888 1.00 50.00 C ATOM 54 OE1 GLU A 4 1.433 17.902 28.084 1.00 50.00 O ATOM 55 OE2 GLU A 4 0.661 18.052 30.090 1.00 50.00 O ATOM 0 H GLU A 4 -1.086 14.322 25.960 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.488 15.792 28.201 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.092 16.285 27.078 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.969 17.385 26.220 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.338 18.679 28.087 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.542 17.284 29.128 1.00 50.00 H new ATOM 62 N TYR A 5 -4.308 16.234 26.616 1.00 10.00 N ATOM 63 CA TYR A 5 -5.403 16.535 25.649 1.00 10.00 C ATOM 64 C TYR A 5 -5.771 18.020 25.717 1.00 10.00 C ATOM 65 O TYR A 5 -5.865 18.596 26.782 1.00 10.00 O ATOM 66 CB TYR A 5 -6.580 15.666 26.095 1.00 10.00 C ATOM 67 CG TYR A 5 -7.079 16.144 27.438 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.074 17.124 27.507 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.544 15.603 28.614 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.535 17.566 28.754 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.005 16.045 29.859 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.000 17.026 29.930 1.00 50.00 C ATOM 73 OH TYR A 5 -8.455 17.462 31.158 1.00 50.00 O ATOM 0 H TYR A 5 -4.597 16.163 27.592 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.114 16.326 24.619 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.382 15.716 25.359 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.271 14.623 26.160 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.487 17.540 26.600 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.776 14.845 28.560 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.303 18.323 28.808 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.592 15.628 30.766 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.134 16.841 31.495 1.00 50.00 H new ATOM 83 N LEU A 6 -5.976 18.644 24.588 1.00 10.00 N ATOM 84 CA LEU A 6 -6.334 20.092 24.589 1.00 10.00 C ATOM 85 C LEU A 6 -7.532 20.344 23.665 1.00 10.00 C ATOM 86 O LEU A 6 -7.481 20.077 22.481 1.00 10.00 O ATOM 87 CB LEU A 6 -5.089 20.807 24.059 1.00 12.50 C ATOM 88 CG LEU A 6 -5.036 22.232 24.615 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.948 23.024 23.889 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.388 22.914 24.401 1.00 50.00 C ATOM 0 H LEU A 6 -5.911 18.214 23.665 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.618 20.446 25.580 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.192 20.260 24.349 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.108 20.832 22.969 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.810 22.196 25.681 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.911 24.039 24.285 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.983 22.540 24.040 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.173 23.059 22.823 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -6.350 23.929 24.797 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.613 22.948 23.335 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -7.165 22.351 24.918 1.00 50.00 H new ATOM 102 N ASN A 7 -8.610 20.855 24.200 1.00 10.00 N ATOM 103 CA ASN A 7 -9.810 21.123 23.354 1.00 10.00 C ATOM 104 C ASN A 7 -9.454 22.057 22.200 1.00 10.00 C ATOM 105 O ASN A 7 -9.145 23.215 22.400 1.00 10.00 O ATOM 106 CB ASN A 7 -10.806 21.806 24.290 1.00 10.00 C ATOM 107 CG ASN A 7 -12.083 22.147 23.517 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.767 23.097 23.842 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.434 21.408 22.499 1.00 12.50 N ATOM 0 H ASN A 7 -8.711 21.098 25.185 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.210 20.210 22.914 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.040 21.151 25.129 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.367 22.713 24.706 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.282 21.629 21.977 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -11.860 20.610 22.226 1.00 12.50 H new ATOM 116 N TYR A 8 -9.505 21.573 20.990 1.00 50.00 N ATOM 117 CA TYR A 8 -9.179 22.456 19.836 1.00 50.00 C ATOM 118 C TYR A 8 -10.141 23.650 19.815 1.00 50.00 C ATOM 119 O TYR A 8 -9.781 24.744 19.425 1.00 50.00 O ATOM 120 CB TYR A 8 -9.371 21.576 18.600 1.00 50.00 C ATOM 121 CG TYR A 8 -9.611 22.440 17.385 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.870 23.012 17.179 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.582 22.655 16.461 1.00 50.00 C ATOM 124 CE1 TYR A 8 -11.104 23.801 16.048 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.815 23.449 15.331 1.00 50.00 C ATOM 126 CZ TYR A 8 -10.076 24.020 15.124 1.00 50.00 C ATOM 127 OH TYR A 8 -10.306 24.799 14.009 1.00 50.00 O ATOM 0 H TYR A 8 -9.756 20.613 20.752 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.168 22.861 19.885 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.490 20.954 18.446 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.215 20.902 18.750 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.662 22.845 17.894 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.611 22.210 16.619 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -12.077 24.241 15.888 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -8.021 23.621 14.619 1.00 50.00 H new ATOM 0 HH TYR A 8 -10.519 25.714 14.288 1.00 50.00 H new ATOM 137 N GLU A 9 -11.362 23.446 20.232 1.00 25.00 N ATOM 138 CA GLU A 9 -12.345 24.566 20.235 1.00 25.00 C ATOM 139 C GLU A 9 -11.877 25.674 21.183 1.00 25.00 C ATOM 140 O GLU A 9 -12.054 26.846 20.917 1.00 25.00 O ATOM 141 CB GLU A 9 -13.650 23.945 20.734 1.00 50.00 C ATOM 142 CG GLU A 9 -14.825 24.531 19.946 1.00 50.00 C ATOM 143 CD GLU A 9 -15.880 23.445 19.720 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.693 22.643 18.821 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.858 23.437 20.450 1.00 50.00 O ATOM 0 H GLU A 9 -11.720 22.553 20.570 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.462 25.019 19.251 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.620 22.862 20.613 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.776 24.143 21.798 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -15.261 25.368 20.491 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.477 24.920 18.989 1.00 50.00 H new ATOM 152 N THR A 10 -11.278 25.311 22.285 1.00 50.00 N ATOM 153 CA THR A 10 -10.797 26.347 23.244 1.00 50.00 C ATOM 154 C THR A 10 -9.728 27.218 22.577 1.00 50.00 C ATOM 155 O THR A 10 -9.592 28.388 22.877 1.00 50.00 O ATOM 156 CB THR A 10 -10.205 25.564 24.416 1.00 50.00 C ATOM 157 OG1 THR A 10 -11.240 24.835 25.064 1.00 50.00 O ATOM 158 CG2 THR A 10 -9.560 26.534 25.407 1.00 50.00 C ATOM 0 H THR A 10 -11.101 24.345 22.562 1.00 50.00 H new ATOM 0 HA THR A 10 -11.595 27.014 23.570 1.00 50.00 H new ATOM 0 HB THR A 10 -9.448 24.872 24.048 1.00 50.00 H new ATOM 0 HG1 THR A 10 -11.847 24.461 24.392 1.00 50.00 H new ATOM 0 HG21 THR A 10 -9.138 25.974 26.242 1.00 50.00 H new ATOM 0 HG22 THR A 10 -8.768 27.092 24.907 1.00 50.00 H new ATOM 0 HG23 THR A 10 -10.313 27.228 25.779 1.00 50.00 H new ATOM 166 N LEU A 11 -8.976 26.658 21.668 1.00 50.00 N ATOM 167 CA LEU A 11 -7.925 27.458 20.976 1.00 50.00 C ATOM 168 C LEU A 11 -8.587 28.514 20.089 1.00 50.00 C ATOM 169 O LEU A 11 -8.250 29.681 20.137 1.00 50.00 O ATOM 170 CB LEU A 11 -7.144 26.446 20.132 1.00 50.00 C ATOM 171 CG LEU A 11 -6.392 27.169 19.007 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.724 28.431 19.558 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.322 26.239 18.431 1.00 50.00 C ATOM 0 H LEU A 11 -9.044 25.683 21.375 1.00 50.00 H new ATOM 0 HA LEU A 11 -7.271 27.986 21.670 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.439 25.903 20.761 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.827 25.709 19.709 1.00 50.00 H new ATOM 0 HG LEU A 11 -7.097 27.447 18.224 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -5.191 28.941 18.755 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -6.484 29.096 19.968 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -5.020 28.157 20.344 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.787 26.751 17.631 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.620 25.961 19.217 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.796 25.341 18.033 1.00 50.00 H new ATOM 185 N ASP A 12 -9.535 28.115 19.285 1.00 50.00 N ATOM 186 CA ASP A 12 -10.227 29.098 18.404 1.00 50.00 C ATOM 187 C ASP A 12 -11.076 30.041 19.256 1.00 50.00 C ATOM 188 O ASP A 12 -11.160 31.225 18.996 1.00 50.00 O ATOM 189 CB ASP A 12 -11.112 28.255 17.485 1.00 50.00 C ATOM 190 CG ASP A 12 -10.252 27.628 16.385 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.174 28.141 16.137 1.00 50.00 O ATOM 192 OD2 ASP A 12 -10.687 26.643 15.810 1.00 50.00 O ATOM 0 H ASP A 12 -9.860 27.152 19.200 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.531 29.715 17.835 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -11.613 27.475 18.059 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.891 28.876 17.043 1.00 50.00 H new ATOM 197 N ASP A 13 -11.702 29.525 20.280 1.00 50.00 N ATOM 198 CA ASP A 13 -12.538 30.394 21.156 1.00 50.00 C ATOM 199 C ASP A 13 -11.647 31.394 21.896 1.00 50.00 C ATOM 200 O ASP A 13 -11.924 32.575 21.939 1.00 50.00 O ATOM 201 CB ASP A 13 -13.208 29.437 22.144 1.00 50.00 C ATOM 202 CG ASP A 13 -14.355 28.701 21.447 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.359 28.671 20.227 1.00 50.00 O ATOM 204 OD2 ASP A 13 -15.208 28.179 22.146 1.00 50.00 O ATOM 0 H ASP A 13 -11.670 28.541 20.547 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.271 30.971 20.593 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.479 28.720 22.523 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -13.587 29.991 23.003 1.00 50.00 H new ATOM 209 N GLN A 14 -10.574 30.925 22.473 1.00 50.00 N ATOM 210 CA GLN A 14 -9.657 31.845 23.206 1.00 50.00 C ATOM 211 C GLN A 14 -9.001 32.821 22.226 1.00 50.00 C ATOM 212 O GLN A 14 -8.706 33.950 22.564 1.00 50.00 O ATOM 213 CB GLN A 14 -8.607 30.932 23.840 1.00 50.00 C ATOM 214 CG GLN A 14 -9.145 30.374 25.158 1.00 50.00 C ATOM 215 CD GLN A 14 -9.160 31.483 26.213 1.00 50.00 C ATOM 216 OE1 GLN A 14 -9.863 32.464 26.071 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.407 31.368 27.273 1.00 50.00 N ATOM 0 H GLN A 14 -10.292 29.945 22.469 1.00 50.00 H new ATOM 0 HA GLN A 14 -10.178 32.445 23.952 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.362 30.116 23.161 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.686 31.487 24.017 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -10.151 29.980 25.015 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -8.523 29.545 25.495 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -7.817 30.545 27.392 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -8.409 32.101 27.982 1.00 50.00 H new ATOM 226 N GLY A 15 -8.776 32.394 21.014 1.00 50.00 N ATOM 227 CA GLY A 15 -8.143 33.296 20.011 1.00 50.00 C ATOM 228 C GLY A 15 -6.623 33.122 20.049 1.00 50.00 C ATOM 229 O GLY A 15 -5.877 34.038 19.770 1.00 50.00 O ATOM 0 H GLY A 15 -9.003 31.459 20.675 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -8.520 33.069 19.014 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -8.406 34.333 20.223 1.00 50.00 H new ATOM 233 N TRP A 16 -6.158 31.952 20.396 1.00 50.00 N ATOM 234 CA TRP A 16 -4.685 31.726 20.454 1.00 50.00 C ATOM 235 C TRP A 16 -4.204 31.012 19.187 1.00 50.00 C ATOM 236 O TRP A 16 -4.990 30.606 18.353 1.00 50.00 O ATOM 237 CB TRP A 16 -4.470 30.844 21.684 1.00 50.00 C ATOM 238 CG TRP A 16 -4.588 31.676 22.923 1.00 50.00 C ATOM 239 CD1 TRP A 16 -4.378 33.012 22.986 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.942 31.255 24.273 1.00 50.00 C ATOM 241 NE1 TRP A 16 -4.577 33.435 24.288 1.00 50.00 N ATOM 242 CE2 TRP A 16 -4.927 32.389 25.118 1.00 50.00 C ATOM 243 CE3 TRP A 16 -5.270 30.010 24.842 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -5.226 32.294 26.477 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.572 29.910 26.210 1.00 50.00 C ATOM 246 CH2 TRP A 16 -5.550 31.050 27.026 1.00 50.00 C ATOM 0 H TRP A 16 -6.732 31.145 20.641 1.00 50.00 H new ATOM 0 HA TRP A 16 -4.127 32.660 20.518 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.206 30.040 21.701 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.487 30.375 21.641 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.100 33.644 22.156 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.477 34.402 24.597 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.290 29.126 24.222 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -5.207 33.175 27.101 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.823 28.950 26.636 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.783 30.967 28.077 1.00 50.00 H new ATOM 257 N ASP A 17 -2.916 30.859 19.035 1.00 50.00 N ATOM 258 CA ASP A 17 -2.382 30.174 17.822 1.00 50.00 C ATOM 259 C ASP A 17 -2.186 28.681 18.095 1.00 50.00 C ATOM 260 O ASP A 17 -2.566 28.174 19.132 1.00 50.00 O ATOM 261 CB ASP A 17 -1.036 30.848 17.548 1.00 50.00 C ATOM 262 CG ASP A 17 -1.167 31.778 16.340 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.992 31.494 15.486 1.00 50.00 O ATOM 264 OD2 ASP A 17 -0.442 32.757 16.290 1.00 50.00 O ATOM 0 H ASP A 17 -2.210 31.179 19.698 1.00 50.00 H new ATOM 0 HA ASP A 17 -3.061 30.253 16.973 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.716 31.414 18.423 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -0.272 30.094 17.359 1.00 50.00 H new ATOM 269 N MET A 18 -1.594 27.973 17.172 1.00 50.00 N ATOM 270 CA MET A 18 -1.371 26.512 17.376 1.00 50.00 C ATOM 271 C MET A 18 -0.182 26.285 18.313 1.00 50.00 C ATOM 272 O MET A 18 -0.287 25.595 19.309 1.00 50.00 O ATOM 273 CB MET A 18 -1.068 25.960 15.983 1.00 50.00 C ATOM 274 CG MET A 18 -1.776 24.617 15.799 1.00 50.00 C ATOM 275 SD MET A 18 -1.912 24.242 14.032 1.00 50.00 S ATOM 276 CE MET A 18 -0.158 23.908 13.733 1.00 50.00 C ATOM 0 H MET A 18 -1.255 28.343 16.284 1.00 50.00 H new ATOM 0 HA MET A 18 -2.232 26.022 17.831 1.00 50.00 H new ATOM 0 HB2 MET A 18 -1.400 26.665 15.221 1.00 50.00 H new ATOM 0 HB3 MET A 18 0.007 25.836 15.856 1.00 50.00 H new ATOM 0 HG2 MET A 18 -1.221 23.829 16.307 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.767 24.651 16.252 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.035 23.465 12.745 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.404 24.841 13.785 1.00 50.00 H new ATOM 0 HE3 MET A 18 0.215 23.217 14.489 1.00 50.00 H new ATOM 286 N ASP A 19 0.949 26.858 18.003 1.00 50.00 N ATOM 287 CA ASP A 19 2.144 26.671 18.877 1.00 50.00 C ATOM 288 C ASP A 19 2.630 28.023 19.408 1.00 50.00 C ATOM 289 O ASP A 19 3.491 28.091 20.263 1.00 50.00 O ATOM 290 CB ASP A 19 3.202 26.040 17.972 1.00 50.00 C ATOM 291 CG ASP A 19 4.435 25.681 18.803 1.00 50.00 C ATOM 292 OD1 ASP A 19 4.288 24.925 19.749 1.00 50.00 O ATOM 293 OD2 ASP A 19 5.505 26.167 18.479 1.00 50.00 O ATOM 0 H ASP A 19 1.098 27.447 17.184 1.00 50.00 H new ATOM 0 HA ASP A 19 1.926 26.049 19.745 1.00 50.00 H new ATOM 0 HB2 ASP A 19 2.800 25.147 17.493 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.476 26.733 17.176 1.00 50.00 H new ATOM 298 N ASP A 20 2.088 29.098 18.906 1.00 50.00 N ATOM 299 CA ASP A 20 2.520 30.444 19.381 1.00 50.00 C ATOM 300 C ASP A 20 2.041 30.683 20.816 1.00 50.00 C ATOM 301 O ASP A 20 2.800 31.088 21.675 1.00 50.00 O ATOM 302 CB ASP A 20 1.856 31.433 18.423 1.00 50.00 C ATOM 303 CG ASP A 20 2.902 32.419 17.898 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.025 31.998 17.676 1.00 50.00 O ATOM 305 OD2 ASP A 20 2.561 33.578 17.725 1.00 50.00 O ATOM 0 H ASP A 20 1.364 29.103 18.187 1.00 50.00 H new ATOM 0 HA ASP A 20 3.605 30.548 19.390 1.00 50.00 H new ATOM 0 HB2 ASP A 20 1.397 30.898 17.592 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.058 31.971 18.935 1.00 50.00 H new ATOM 310 N ASP A 21 0.785 30.441 21.081 1.00 50.00 N ATOM 311 CA ASP A 21 0.256 30.661 22.459 1.00 50.00 C ATOM 312 C ASP A 21 0.643 29.498 23.376 1.00 50.00 C ATOM 313 O ASP A 21 0.428 29.542 24.571 1.00 50.00 O ATOM 314 CB ASP A 21 -1.261 30.728 22.293 1.00 50.00 C ATOM 315 CG ASP A 21 -1.721 32.185 22.372 1.00 50.00 C ATOM 316 OD1 ASP A 21 -1.788 32.705 23.474 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.996 32.756 21.330 1.00 50.00 O ATOM 0 H ASP A 21 0.103 30.101 20.404 1.00 50.00 H new ATOM 0 HA ASP A 21 0.660 31.566 22.913 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -1.552 30.295 21.336 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -1.749 30.139 23.070 1.00 50.00 H new ATOM 322 N ASP A 22 1.210 28.456 22.831 1.00 50.00 N ATOM 323 CA ASP A 22 1.602 27.297 23.682 1.00 50.00 C ATOM 324 C ASP A 22 0.432 26.890 24.582 1.00 50.00 C ATOM 325 O ASP A 22 0.565 26.782 25.784 1.00 50.00 O ATOM 326 CB ASP A 22 2.777 27.801 24.521 1.00 50.00 C ATOM 327 CG ASP A 22 4.013 26.949 24.231 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.362 26.821 23.070 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.590 26.438 25.178 1.00 50.00 O ATOM 0 H ASP A 22 1.418 28.357 21.837 1.00 50.00 H new ATOM 0 HA ASP A 22 1.872 26.420 23.093 1.00 50.00 H new ATOM 0 HB2 ASP A 22 2.981 28.847 24.290 1.00 50.00 H new ATOM 0 HB3 ASP A 22 2.528 27.751 25.581 1.00 50.00 H new ATOM 334 N LEU A 23 -0.714 26.670 24.002 1.00 50.00 N ATOM 335 CA LEU A 23 -1.905 26.274 24.810 1.00 50.00 C ATOM 336 C LEU A 23 -1.557 25.121 25.758 1.00 50.00 C ATOM 337 O LEU A 23 -1.852 25.166 26.936 1.00 50.00 O ATOM 338 CB LEU A 23 -2.945 25.827 23.784 1.00 50.00 C ATOM 339 CG LEU A 23 -3.408 27.034 22.967 1.00 50.00 C ATOM 340 CD1 LEU A 23 -2.850 26.933 21.547 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.937 27.056 22.914 1.00 50.00 C ATOM 0 H LEU A 23 -0.880 26.747 22.999 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.266 27.092 25.434 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.519 25.070 23.125 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.795 25.368 24.289 1.00 50.00 H new ATOM 0 HG LEU A 23 -3.047 27.950 23.434 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.180 27.793 20.964 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -1.761 26.916 21.584 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.211 26.017 21.078 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -5.269 27.916 22.332 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.298 26.140 22.446 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -5.335 27.128 23.926 1.00 50.00 H new ATOM 353 N PHE A 24 -0.935 24.089 25.256 1.00 50.00 N ATOM 354 CA PHE A 24 -0.574 22.938 26.134 1.00 50.00 C ATOM 355 C PHE A 24 0.220 23.430 27.343 1.00 50.00 C ATOM 356 O PHE A 24 0.311 22.764 28.356 1.00 50.00 O ATOM 357 CB PHE A 24 0.294 22.028 25.264 1.00 50.00 C ATOM 358 CG PHE A 24 -0.582 21.070 24.494 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.230 20.020 25.160 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.744 21.229 23.113 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.036 19.129 24.441 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.552 20.339 22.396 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.197 19.289 23.060 1.00 50.00 C ATOM 0 H PHE A 24 -0.661 23.993 24.278 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.454 22.419 26.515 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.888 22.627 24.574 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.995 21.473 25.888 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.108 19.899 26.226 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -0.246 22.038 22.601 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.534 18.318 24.952 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.678 20.462 21.330 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.819 18.602 22.506 1.00 50.00 H new ATOM 373 N GLU A 25 0.802 24.593 27.243 1.00 50.00 N ATOM 374 CA GLU A 25 1.597 25.130 28.385 1.00 50.00 C ATOM 375 C GLU A 25 0.846 26.276 29.070 1.00 50.00 C ATOM 376 O GLU A 25 0.642 26.268 30.269 1.00 50.00 O ATOM 377 CB GLU A 25 2.896 25.640 27.759 1.00 50.00 C ATOM 378 CG GLU A 25 4.026 24.650 28.051 1.00 50.00 C ATOM 379 CD GLU A 25 4.315 24.632 29.554 1.00 50.00 C ATOM 380 OE1 GLU A 25 3.616 23.927 30.265 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.230 25.324 29.969 1.00 50.00 O ATOM 0 H GLU A 25 0.762 25.195 26.421 1.00 50.00 H new ATOM 0 HA GLU A 25 1.779 24.373 29.148 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.771 25.759 26.683 1.00 50.00 H new ATOM 0 HB3 GLU A 25 3.145 26.622 28.161 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.746 23.653 27.712 1.00 50.00 H new ATOM 0 HG3 GLU A 25 4.923 24.934 27.501 1.00 50.00 H new ATOM 388 N LYS A 26 0.437 27.263 28.322 1.00 50.00 N ATOM 389 CA LYS A 26 -0.296 28.408 28.937 1.00 50.00 C ATOM 390 C LYS A 26 -1.630 27.936 29.520 1.00 50.00 C ATOM 391 O LYS A 26 -2.078 28.421 30.539 1.00 50.00 O ATOM 392 CB LYS A 26 -0.530 29.392 27.791 1.00 50.00 C ATOM 393 CG LYS A 26 -0.819 30.780 28.364 1.00 50.00 C ATOM 394 CD LYS A 26 -1.012 31.777 27.221 1.00 50.00 C ATOM 395 CE LYS A 26 -1.187 33.183 27.796 1.00 50.00 C ATOM 396 NZ LYS A 26 0.120 33.858 27.563 1.00 50.00 N ATOM 0 H LYS A 26 0.578 27.327 27.314 1.00 50.00 H new ATOM 0 HA LYS A 26 0.263 28.861 29.756 1.00 50.00 H new ATOM 0 HB2 LYS A 26 0.346 29.429 27.144 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.366 29.059 27.176 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -1.713 30.748 28.987 1.00 50.00 H new ATOM 0 HG3 LYS A 26 0.004 31.099 29.003 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -0.152 31.751 26.552 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -1.885 31.503 26.629 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -2.000 33.714 27.301 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -1.430 33.148 28.858 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 0.079 34.830 27.931 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 0.873 33.334 28.052 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 0.321 33.882 26.543 1.00 50.00 H new ATOM 410 N ALA A 27 -2.264 26.992 28.883 1.00 50.00 N ATOM 411 CA ALA A 27 -3.567 26.490 29.403 1.00 50.00 C ATOM 412 C ALA A 27 -3.383 25.909 30.808 1.00 50.00 C ATOM 413 O ALA A 27 -4.254 26.007 31.649 1.00 50.00 O ATOM 414 CB ALA A 27 -3.994 25.398 28.421 1.00 50.00 C ATOM 0 H ALA A 27 -1.937 26.546 28.026 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.314 27.280 29.480 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -4.949 24.978 28.737 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.098 25.826 27.424 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.240 24.611 28.401 1.00 50.00 H new ATOM 420 N ALA A 28 -2.254 25.311 31.067 1.00 50.00 N ATOM 421 CA ALA A 28 -2.013 24.728 32.418 1.00 50.00 C ATOM 422 C ALA A 28 -1.925 25.843 33.463 1.00 50.00 C ATOM 423 O ALA A 28 -2.214 25.644 34.626 1.00 50.00 O ATOM 424 CB ALA A 28 -0.676 23.995 32.302 1.00 50.00 C ATOM 0 H ALA A 28 -1.488 25.200 30.403 1.00 50.00 H new ATOM 0 HA ALA A 28 -2.816 24.060 32.730 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -0.428 23.537 33.260 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -0.750 23.221 31.538 1.00 50.00 H new ATOM 0 HB3 ALA A 28 0.105 24.704 32.025 1.00 50.00 H new ATOM 430 N ASP A 29 -1.528 27.017 33.055 1.00 50.00 N ATOM 431 CA ASP A 29 -1.422 28.148 34.021 1.00 50.00 C ATOM 432 C ASP A 29 -2.596 29.114 33.835 1.00 50.00 C ATOM 433 O ASP A 29 -2.579 30.228 34.320 1.00 50.00 O ATOM 434 CB ASP A 29 -0.103 28.840 33.678 1.00 50.00 C ATOM 435 CG ASP A 29 1.055 27.858 33.875 1.00 50.00 C ATOM 436 OD1 ASP A 29 1.351 27.129 32.943 1.00 50.00 O ATOM 437 OD2 ASP A 29 1.624 27.853 34.953 1.00 50.00 O ATOM 0 H ASP A 29 -1.272 27.243 32.094 1.00 50.00 H new ATOM 0 HA ASP A 29 -1.448 27.809 35.057 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.123 29.193 32.647 1.00 50.00 H new ATOM 0 HB3 ASP A 29 0.036 29.715 34.312 1.00 50.00 H new ATOM 442 N ALA A 30 -3.614 28.696 33.134 1.00 50.00 N ATOM 443 CA ALA A 30 -4.786 29.593 32.917 1.00 50.00 C ATOM 444 C ALA A 30 -6.008 29.063 33.670 1.00 50.00 C ATOM 445 O ALA A 30 -6.833 29.819 34.143 1.00 50.00 O ATOM 446 CB ALA A 30 -5.031 29.563 31.408 1.00 50.00 C ATOM 0 H ALA A 30 -3.686 27.774 32.703 1.00 50.00 H new ATOM 0 HA ALA A 30 -4.605 30.604 33.282 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -5.881 30.201 31.165 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.144 29.926 30.888 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.243 28.541 31.094 1.00 50.00 H new ATOM 452 N GLY A 31 -6.130 27.771 33.783 1.00 50.00 N ATOM 453 CA GLY A 31 -7.298 27.191 34.504 1.00 50.00 C ATOM 454 C GLY A 31 -8.381 26.804 33.495 1.00 50.00 C ATOM 455 O GLY A 31 -9.442 27.396 33.451 1.00 50.00 O ATOM 0 H GLY A 31 -5.471 27.090 33.407 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.988 26.315 35.075 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.693 27.913 35.218 1.00 50.00 H new ATOM 459 N LEU A 32 -8.123 25.816 32.683 1.00 50.00 N ATOM 460 CA LEU A 32 -9.139 25.393 31.676 1.00 50.00 C ATOM 461 C LEU A 32 -9.951 24.211 32.209 1.00 50.00 C ATOM 462 O LEU A 32 -9.632 23.636 33.232 1.00 50.00 O ATOM 463 CB LEU A 32 -8.330 24.981 30.447 1.00 50.00 C ATOM 464 CG LEU A 32 -8.439 26.071 29.379 1.00 50.00 C ATOM 465 CD1 LEU A 32 -9.880 26.145 28.870 1.00 50.00 C ATOM 466 CD2 LEU A 32 -8.046 27.420 29.986 1.00 50.00 C ATOM 0 H LEU A 32 -7.253 25.283 32.673 1.00 50.00 H new ATOM 0 HA LEU A 32 -9.850 26.187 31.447 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.286 24.827 30.720 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -8.700 24.034 30.055 1.00 50.00 H new ATOM 0 HG LEU A 32 -7.771 25.835 28.550 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -9.958 26.922 28.109 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -10.163 25.185 28.439 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -10.547 26.381 29.699 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -8.123 28.197 29.226 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -8.714 27.655 30.814 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -7.020 27.370 30.351 1.00 50.00 H new ATOM 478 N ASP A 33 -10.999 23.843 31.526 1.00 50.00 N ATOM 479 CA ASP A 33 -11.831 22.699 31.996 1.00 50.00 C ATOM 480 C ASP A 33 -11.079 21.380 31.800 1.00 50.00 C ATOM 481 O ASP A 33 -10.103 21.312 31.079 1.00 50.00 O ATOM 482 CB ASP A 33 -13.086 22.735 31.125 1.00 50.00 C ATOM 483 CG ASP A 33 -14.288 22.259 31.944 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.770 23.030 32.757 1.00 50.00 O ATOM 485 OD2 ASP A 33 -14.705 21.130 31.743 1.00 50.00 O ATOM 0 H ASP A 33 -11.316 24.285 30.663 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.070 22.773 33.057 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.259 23.747 30.759 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -12.953 22.098 30.250 1.00 50.00 H new ATOM 490 N GLY A 34 -11.524 20.331 32.437 1.00 50.00 N ATOM 491 CA GLY A 34 -10.835 19.018 32.288 1.00 50.00 C ATOM 492 C GLY A 34 -11.365 18.303 31.045 1.00 50.00 C ATOM 493 O GLY A 34 -10.650 17.581 30.378 1.00 50.00 O ATOM 0 H GLY A 34 -12.336 20.327 33.055 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.759 19.168 32.203 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.003 18.404 33.173 1.00 50.00 H new ATOM 497 N GLU A 35 -12.614 18.497 30.726 1.00 50.00 N ATOM 498 CA GLU A 35 -13.186 17.830 29.522 1.00 50.00 C ATOM 499 C GLU A 35 -12.614 18.463 28.252 1.00 50.00 C ATOM 500 O GLU A 35 -12.879 18.022 27.151 1.00 50.00 O ATOM 501 CB GLU A 35 -14.692 18.080 29.609 1.00 50.00 C ATOM 502 CG GLU A 35 -15.443 16.780 29.311 1.00 50.00 C ATOM 503 CD GLU A 35 -16.735 16.739 30.129 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.729 17.262 29.654 1.00 50.00 O ATOM 505 OE2 GLU A 35 -16.707 16.188 31.217 1.00 50.00 O ATOM 0 H GLU A 35 -13.263 19.088 31.246 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.950 16.766 29.486 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.954 18.444 30.602 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.985 18.853 28.898 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -15.671 16.715 28.247 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.817 15.922 29.556 1.00 50.00 H new ATOM 512 N ASP A 36 -11.833 19.498 28.398 1.00 50.00 N ATOM 513 CA ASP A 36 -11.246 20.166 27.202 1.00 50.00 C ATOM 514 C ASP A 36 -9.717 20.108 27.255 1.00 50.00 C ATOM 515 O ASP A 36 -9.072 19.697 26.310 1.00 50.00 O ATOM 516 CB ASP A 36 -11.731 21.614 27.285 1.00 50.00 C ATOM 517 CG ASP A 36 -13.203 21.685 26.873 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.687 20.719 26.308 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.822 22.705 27.131 1.00 50.00 O ATOM 0 H ASP A 36 -11.576 19.910 29.295 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.546 19.685 26.271 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.608 21.992 28.300 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.129 22.248 26.634 1.00 50.00 H new ATOM 524 N TYR A 37 -9.131 20.518 28.345 1.00 12.50 N ATOM 525 CA TYR A 37 -7.644 20.483 28.442 1.00 12.50 C ATOM 526 C TYR A 37 -7.206 19.846 29.762 1.00 12.50 C ATOM 527 O TYR A 37 -7.909 19.898 30.752 1.00 12.50 O ATOM 528 CB TYR A 37 -7.203 21.944 28.385 1.00 12.50 C ATOM 529 CG TYR A 37 -5.742 22.039 28.753 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.774 21.450 27.932 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.356 22.711 29.919 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.419 21.534 28.274 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.001 22.795 30.262 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.032 22.207 29.440 1.00 12.50 C ATOM 535 OH TYR A 37 -1.697 22.290 29.779 1.00 50.00 O ATOM 0 H TYR A 37 -9.614 20.874 29.170 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.200 19.890 27.642 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.365 22.346 27.385 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.802 22.544 29.070 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -5.072 20.930 27.034 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.103 23.164 30.554 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.672 21.080 27.639 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.703 23.314 31.161 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.149 22.206 28.971 1.00 50.00 H new ATOM 545 N GLY A 38 -6.047 19.245 29.784 1.00 10.00 N ATOM 546 CA GLY A 38 -5.562 18.607 31.039 1.00 10.00 C ATOM 547 C GLY A 38 -4.636 17.442 30.688 1.00 10.00 C ATOM 548 O GLY A 38 -4.597 16.984 29.564 1.00 10.00 O ATOM 0 H GLY A 38 -5.416 19.169 28.986 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.031 19.337 31.650 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.406 18.251 31.629 1.00 10.00 H new ATOM 552 N THR A 39 -3.890 16.957 31.641 1.00 10.00 N ATOM 553 CA THR A 39 -2.969 15.820 31.357 1.00 10.00 C ATOM 554 C THR A 39 -3.749 14.504 31.367 1.00 10.00 C ATOM 555 O THR A 39 -4.505 14.227 32.276 1.00 10.00 O ATOM 556 CB THR A 39 -1.941 15.846 32.488 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.899 17.148 33.057 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.562 15.483 31.936 1.00 50.00 C ATOM 0 H THR A 39 -3.878 17.297 32.602 1.00 10.00 H new ATOM 0 HA THR A 39 -2.494 15.904 30.380 1.00 10.00 H new ATOM 0 HB THR A 39 -2.224 15.123 33.253 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.242 17.166 33.784 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.170 15.502 32.744 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.596 14.484 31.500 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.276 16.203 31.170 1.00 50.00 H new ATOM 566 N MET A 40 -3.574 13.692 30.361 1.00 10.00 N ATOM 567 CA MET A 40 -4.311 12.397 30.317 1.00 10.00 C ATOM 568 C MET A 40 -3.410 11.254 30.793 1.00 10.00 C ATOM 569 O MET A 40 -2.462 10.880 30.131 1.00 10.00 O ATOM 570 CB MET A 40 -4.690 12.204 28.849 1.00 10.00 C ATOM 571 CG MET A 40 -5.939 11.326 28.760 1.00 10.00 C ATOM 572 SD MET A 40 -5.709 10.079 27.468 1.00 12.50 S ATOM 573 CE MET A 40 -6.570 10.962 26.145 1.00 50.00 C ATOM 0 H MET A 40 -2.955 13.868 29.570 1.00 10.00 H new ATOM 0 HA MET A 40 -5.186 12.401 30.967 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.876 13.170 28.380 1.00 10.00 H new ATOM 0 HB3 MET A 40 -3.866 11.740 28.307 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.125 10.842 29.719 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.812 11.939 28.537 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.389 10.348 25.771 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.967 11.900 26.532 1.00 50.00 H new ATOM 0 HE3 MET A 40 -5.873 11.171 25.333 1.00 50.00 H new ATOM 583 N GLU A 41 -3.701 10.693 31.936 1.00 10.00 N ATOM 584 CA GLU A 41 -2.861 9.572 32.450 1.00 10.00 C ATOM 585 C GLU A 41 -3.289 8.255 31.796 1.00 10.00 C ATOM 586 O GLU A 41 -4.384 7.775 32.008 1.00 10.00 O ATOM 587 CB GLU A 41 -3.130 9.533 33.955 1.00 10.00 C ATOM 588 CG GLU A 41 -2.203 10.522 34.666 1.00 10.00 C ATOM 589 CD GLU A 41 -2.838 10.952 35.990 1.00 12.50 C ATOM 590 OE1 GLU A 41 -3.764 11.747 35.949 1.00 12.50 O ATOM 591 OE2 GLU A 41 -2.388 10.481 37.021 1.00 12.50 O ATOM 0 H GLU A 41 -4.482 10.961 32.535 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.803 9.711 32.229 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -4.171 9.786 34.156 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.967 8.526 34.338 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.232 10.061 34.848 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.029 11.393 34.034 1.00 10.00 H new ATOM 598 N VAL A 42 -2.435 7.669 31.003 1.00 10.00 N ATOM 599 CA VAL A 42 -2.798 6.384 30.338 1.00 10.00 C ATOM 600 C VAL A 42 -1.811 5.283 30.732 1.00 10.00 C ATOM 601 O VAL A 42 -0.690 5.243 30.264 1.00 10.00 O ATOM 602 CB VAL A 42 -2.706 6.671 28.840 1.00 10.00 C ATOM 603 CG1 VAL A 42 -2.822 5.359 28.061 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.843 7.608 28.427 1.00 10.00 C ATOM 0 H VAL A 42 -1.503 8.023 30.786 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.790 6.039 30.628 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.748 7.143 28.621 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.756 5.563 26.992 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.013 4.690 28.353 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.780 4.888 28.282 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.776 7.812 27.358 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.801 7.137 28.647 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.763 8.543 28.981 1.00 10.00 H new ATOM 614 N ALA A 43 -2.220 4.385 31.587 1.00 10.00 N ATOM 615 CA ALA A 43 -1.307 3.286 32.007 1.00 10.00 C ATOM 616 C ALA A 43 -0.949 2.411 30.802 1.00 10.00 C ATOM 617 O ALA A 43 -1.752 2.202 29.915 1.00 10.00 O ATOM 618 CB ALA A 43 -2.103 2.482 33.036 1.00 50.00 C ATOM 0 H ALA A 43 -3.147 4.366 32.012 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.370 3.660 32.419 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.497 1.650 33.396 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.369 3.126 33.874 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.011 2.096 32.573 1.00 50.00 H new ATOM 624 N GLU A 44 0.251 1.897 30.764 1.00 10.00 N ATOM 625 CA GLU A 44 0.658 1.038 29.614 1.00 10.00 C ATOM 626 C GLU A 44 -0.341 -0.108 29.429 1.00 10.00 C ATOM 627 O GLU A 44 -0.519 -0.936 30.300 1.00 10.00 O ATOM 628 CB GLU A 44 2.035 0.493 29.993 1.00 10.00 C ATOM 629 CG GLU A 44 2.477 -0.539 28.953 1.00 10.00 C ATOM 630 CD GLU A 44 2.696 -1.889 29.638 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.747 -2.068 30.231 1.00 25.00 O ATOM 632 OE2 GLU A 44 1.810 -2.723 29.555 1.00 25.00 O ATOM 0 H GLU A 44 0.966 2.034 31.478 1.00 10.00 H new ATOM 0 HA GLU A 44 0.683 1.591 28.675 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.759 1.306 30.045 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.998 0.036 30.982 1.00 10.00 H new ATOM 0 HG2 GLU A 44 1.721 -0.633 28.173 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.396 -0.212 28.468 1.00 10.00 H new ATOM 639 N GLY A 45 -0.993 -0.161 28.300 1.00 10.00 N ATOM 640 CA GLY A 45 -1.978 -1.253 28.061 1.00 10.00 C ATOM 641 C GLY A 45 -3.391 -0.666 28.009 1.00 10.00 C ATOM 642 O GLY A 45 -4.356 -1.367 27.778 1.00 10.00 O ATOM 0 H GLY A 45 -0.886 0.504 27.534 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.751 -1.764 27.125 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.911 -1.997 28.855 1.00 10.00 H new ATOM 646 N GLU A 46 -3.521 0.617 28.220 1.00 10.00 N ATOM 647 CA GLU A 46 -4.873 1.245 28.182 1.00 10.00 C ATOM 648 C GLU A 46 -5.010 2.130 26.940 1.00 10.00 C ATOM 649 O GLU A 46 -4.154 2.942 26.648 1.00 10.00 O ATOM 650 CB GLU A 46 -4.955 2.088 29.455 1.00 10.00 C ATOM 651 CG GLU A 46 -6.033 1.513 30.378 1.00 10.00 C ATOM 652 CD GLU A 46 -6.322 2.507 31.504 1.00 10.00 C ATOM 653 OE1 GLU A 46 -6.355 3.694 31.226 1.00 10.00 O ATOM 654 OE2 GLU A 46 -6.509 2.064 32.626 1.00 10.00 O ATOM 0 H GLU A 46 -2.751 1.256 28.417 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.671 0.505 28.133 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.991 2.094 29.963 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -5.189 3.123 29.205 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.943 1.313 29.812 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -5.701 0.562 30.794 1.00 10.00 H new ATOM 661 N TYR A 47 -6.078 1.980 26.205 1.00 10.00 N ATOM 662 CA TYR A 47 -6.263 2.815 24.984 1.00 10.00 C ATOM 663 C TYR A 47 -6.564 4.263 25.378 1.00 10.00 C ATOM 664 O TYR A 47 -7.301 4.523 26.308 1.00 10.00 O ATOM 665 CB TYR A 47 -7.457 2.198 24.253 1.00 10.00 C ATOM 666 CG TYR A 47 -7.320 0.693 24.234 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.053 0.101 24.306 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.463 -0.112 24.143 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.928 -1.293 24.287 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.338 -1.507 24.124 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.070 -2.097 24.195 1.00 10.00 C ATOM 672 OH TYR A 47 -6.947 -3.471 24.177 1.00 10.00 O ATOM 0 H TYR A 47 -6.829 1.317 26.396 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.371 2.833 24.358 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.385 2.482 24.748 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.509 2.581 23.234 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.171 0.721 24.376 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.441 0.343 24.087 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.950 -1.748 24.343 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.219 -2.127 24.055 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.836 -3.878 24.111 1.00 10.00 H new ATOM 682 N ILE A 48 -5.999 5.208 24.678 1.00 10.00 N ATOM 683 CA ILE A 48 -6.252 6.639 25.016 1.00 10.00 C ATOM 684 C ILE A 48 -7.742 6.865 25.294 1.00 10.00 C ATOM 685 O ILE A 48 -8.135 7.155 26.407 1.00 10.00 O ATOM 686 CB ILE A 48 -5.809 7.422 23.779 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.294 7.288 23.607 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.172 8.899 23.951 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.967 7.034 22.134 1.00 10.00 C ATOM 0 H ILE A 48 -5.374 5.052 23.887 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.714 6.953 25.911 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.313 7.024 22.898 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.797 8.196 23.949 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.919 6.469 24.220 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.856 9.456 23.069 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.251 8.997 24.075 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.668 9.297 24.832 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.888 6.939 22.012 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.452 6.114 21.807 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.328 7.868 21.532 1.00 10.00 H new ATOM 701 N LEU A 49 -8.573 6.735 24.297 1.00 10.00 N ATOM 702 CA LEU A 49 -10.034 6.945 24.515 1.00 10.00 C ATOM 703 C LEU A 49 -10.489 6.211 25.779 1.00 10.00 C ATOM 704 O LEU A 49 -11.468 6.575 26.400 1.00 10.00 O ATOM 705 CB LEU A 49 -10.713 6.355 23.278 1.00 10.00 C ATOM 706 CG LEU A 49 -11.397 7.471 22.489 1.00 10.00 C ATOM 707 CD1 LEU A 49 -10.368 8.177 21.603 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.498 6.872 21.610 1.00 10.00 C ATOM 0 H LEU A 49 -8.306 6.493 23.343 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.283 7.998 24.650 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -9.977 5.851 22.652 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -11.445 5.604 23.576 1.00 10.00 H new ATOM 0 HG LEU A 49 -11.833 8.190 23.182 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -10.857 8.973 21.041 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -9.582 8.603 22.227 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -9.931 7.459 20.910 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -12.987 7.667 21.047 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.060 6.153 20.918 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -13.232 6.369 22.239 1.00 10.00 H new ATOM 720 N GLU A 50 -9.785 5.184 26.167 1.00 10.00 N ATOM 721 CA GLU A 50 -10.178 4.434 27.394 1.00 10.00 C ATOM 722 C GLU A 50 -9.850 5.264 28.637 1.00 10.00 C ATOM 723 O GLU A 50 -10.699 5.520 29.467 1.00 10.00 O ATOM 724 CB GLU A 50 -9.341 3.154 27.365 1.00 10.00 C ATOM 725 CG GLU A 50 -9.988 2.100 28.265 1.00 10.00 C ATOM 726 CD GLU A 50 -10.672 1.039 27.400 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.980 0.395 26.631 1.00 50.00 O ATOM 728 OE2 GLU A 50 -11.877 0.890 27.524 1.00 50.00 O ATOM 0 H GLU A 50 -8.956 4.832 25.689 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.246 4.217 27.425 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.266 2.779 26.344 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.326 3.363 27.703 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -9.233 1.636 28.899 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -10.716 2.569 28.927 1.00 10.00 H new ATOM 735 N ALA A 51 -8.623 5.690 28.768 1.00 10.00 N ATOM 736 CA ALA A 51 -8.245 6.509 29.955 1.00 10.00 C ATOM 737 C ALA A 51 -8.905 7.885 29.870 1.00 10.00 C ATOM 738 O ALA A 51 -9.192 8.511 30.871 1.00 10.00 O ATOM 739 CB ALA A 51 -6.724 6.638 29.883 1.00 12.50 C ATOM 0 H ALA A 51 -7.868 5.507 28.107 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.568 6.055 30.892 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.369 7.230 30.726 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.273 5.647 29.920 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.444 7.130 28.951 1.00 12.50 H new ATOM 745 N ALA A 52 -9.152 8.359 28.681 1.00 10.00 N ATOM 746 CA ALA A 52 -9.797 9.695 28.531 1.00 10.00 C ATOM 747 C ALA A 52 -11.305 9.575 28.745 1.00 10.00 C ATOM 748 O ALA A 52 -11.925 10.411 29.372 1.00 10.00 O ATOM 749 CB ALA A 52 -9.488 10.124 27.097 1.00 10.00 C ATOM 0 H ALA A 52 -8.936 7.880 27.807 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.430 10.419 29.259 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.930 11.102 26.907 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.408 10.181 26.959 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.905 9.396 26.401 1.00 10.00 H new ATOM 755 N GLU A 53 -11.898 8.537 28.229 1.00 10.00 N ATOM 756 CA GLU A 53 -13.368 8.353 28.399 1.00 10.00 C ATOM 757 C GLU A 53 -13.717 8.290 29.884 1.00 10.00 C ATOM 758 O GLU A 53 -14.670 8.892 30.337 1.00 10.00 O ATOM 759 CB GLU A 53 -13.687 7.025 27.712 1.00 10.00 C ATOM 760 CG GLU A 53 -15.159 6.672 27.935 1.00 10.00 C ATOM 761 CD GLU A 53 -15.727 6.042 26.662 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.487 6.587 25.596 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.391 5.026 26.773 1.00 10.00 O ATOM 0 H GLU A 53 -11.429 7.805 27.695 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.941 9.175 27.971 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.477 7.097 26.645 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.049 6.236 28.110 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.256 5.980 28.771 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.724 7.567 28.195 1.00 10.00 H new ATOM 770 N ALA A 54 -12.946 7.568 30.642 1.00 10.00 N ATOM 771 CA ALA A 54 -13.220 7.465 32.103 1.00 10.00 C ATOM 772 C ALA A 54 -13.159 8.855 32.741 1.00 10.00 C ATOM 773 O ALA A 54 -13.706 9.090 33.799 1.00 10.00 O ATOM 774 CB ALA A 54 -12.109 6.568 32.654 1.00 50.00 C ATOM 0 H ALA A 54 -12.135 7.043 30.315 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.209 7.058 32.315 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.241 6.443 33.729 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.153 5.594 32.168 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.140 7.027 32.459 1.00 50.00 H new ATOM 780 N GLN A 55 -12.497 9.779 32.097 1.00 10.00 N ATOM 781 CA GLN A 55 -12.398 11.158 32.654 1.00 10.00 C ATOM 782 C GLN A 55 -13.591 11.997 32.191 1.00 10.00 C ATOM 783 O GLN A 55 -13.929 13.000 32.790 1.00 10.00 O ATOM 784 CB GLN A 55 -11.095 11.719 32.080 1.00 10.00 C ATOM 785 CG GLN A 55 -9.953 11.517 33.082 1.00 10.00 C ATOM 786 CD GLN A 55 -10.034 10.112 33.685 1.00 10.00 C ATOM 787 OE1 GLN A 55 -9.955 9.129 32.978 1.00 10.00 O ATOM 788 NE2 GLN A 55 -10.193 9.977 34.973 1.00 10.00 N ATOM 0 H GLN A 55 -12.020 9.637 31.207 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.404 11.169 33.744 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.858 11.221 31.140 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -11.212 12.780 31.858 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -8.993 11.655 32.585 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.013 12.266 33.872 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -10.259 10.803 35.568 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -10.251 9.046 35.385 1.00 10.00 H new ATOM 797 N GLY A 56 -14.229 11.596 31.127 1.00 10.00 N ATOM 798 CA GLY A 56 -15.397 12.370 30.620 1.00 10.00 C ATOM 799 C GLY A 56 -15.033 13.022 29.283 1.00 10.00 C ATOM 800 O GLY A 56 -15.828 13.723 28.689 1.00 10.00 O ATOM 0 H GLY A 56 -13.992 10.765 30.586 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -16.257 11.712 30.494 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.683 13.133 31.344 1.00 10.00 H new ATOM 804 N TYR A 57 -13.838 12.797 28.804 1.00 10.00 N ATOM 805 CA TYR A 57 -13.429 13.405 27.505 1.00 10.00 C ATOM 806 C TYR A 57 -14.304 12.858 26.373 1.00 10.00 C ATOM 807 O TYR A 57 -14.193 11.711 25.987 1.00 10.00 O ATOM 808 CB TYR A 57 -11.967 12.985 27.315 1.00 10.00 C ATOM 809 CG TYR A 57 -11.111 13.551 28.433 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.680 14.365 29.426 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.743 13.258 28.474 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.879 14.878 30.454 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.944 13.773 29.503 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.512 14.583 30.492 1.00 12.50 C ATOM 815 OH TYR A 57 -8.725 15.089 31.506 1.00 12.50 O ATOM 0 H TYR A 57 -13.129 12.219 29.256 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.542 14.489 27.497 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.892 11.898 27.304 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.601 13.340 26.351 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.735 14.595 29.397 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.302 12.634 27.711 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.317 15.502 31.219 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -7.889 13.545 29.533 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.099 15.746 31.137 1.00 12.50 H new ATOM 825 N ASP A 58 -15.175 13.672 25.841 1.00 10.00 N ATOM 826 CA ASP A 58 -16.060 13.204 24.735 1.00 10.00 C ATOM 827 C ASP A 58 -15.304 13.228 23.404 1.00 10.00 C ATOM 828 O ASP A 58 -14.637 14.189 23.077 1.00 10.00 O ATOM 829 CB ASP A 58 -17.218 14.202 24.709 1.00 10.00 C ATOM 830 CG ASP A 58 -18.547 13.447 24.628 1.00 10.00 C ATOM 831 OD1 ASP A 58 -18.611 12.475 23.893 1.00 10.00 O ATOM 832 OD2 ASP A 58 -19.479 13.855 25.302 1.00 10.00 O ATOM 0 H ASP A 58 -15.312 14.642 26.125 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.404 12.181 24.886 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.196 14.823 25.604 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.116 14.871 23.854 1.00 10.00 H new ATOM 837 N TRP A 59 -15.405 12.181 22.633 1.00 10.00 N ATOM 838 CA TRP A 59 -14.691 12.154 21.326 1.00 10.00 C ATOM 839 C TRP A 59 -15.697 12.014 20.179 1.00 10.00 C ATOM 840 O TRP A 59 -16.513 11.114 20.174 1.00 10.00 O ATOM 841 CB TRP A 59 -13.772 10.937 21.402 1.00 10.00 C ATOM 842 CG TRP A 59 -12.769 11.164 22.484 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.950 10.850 23.786 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.442 11.759 22.387 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.824 11.221 24.495 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.865 11.782 23.678 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.691 12.277 21.316 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.590 12.299 23.901 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.406 12.797 21.537 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.856 12.809 22.828 1.00 50.00 C ATOM 0 H TRP A 59 -15.949 11.346 22.850 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.129 13.069 21.138 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.352 10.037 21.607 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.270 10.782 20.447 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.831 10.385 24.204 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.715 11.095 25.501 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -11.105 12.275 20.319 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.172 12.305 24.897 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.837 13.191 20.708 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.867 13.212 22.991 1.00 50.00 H new ATOM 861 N PRO A 60 -15.609 12.926 19.249 1.00 10.00 N ATOM 862 CA PRO A 60 -16.527 12.924 18.083 1.00 10.00 C ATOM 863 C PRO A 60 -16.203 11.771 17.129 1.00 10.00 C ATOM 864 O PRO A 60 -15.171 11.136 17.232 1.00 10.00 O ATOM 865 CB PRO A 60 -16.255 14.268 17.413 1.00 10.00 C ATOM 866 CG PRO A 60 -14.864 14.629 17.829 1.00 10.00 C ATOM 867 CD PRO A 60 -14.651 14.036 19.195 1.00 10.00 C ATOM 0 HA PRO A 60 -17.570 12.791 18.369 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -16.336 14.193 16.329 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.972 15.023 17.735 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -14.135 14.238 17.120 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.736 15.711 17.853 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.627 13.687 19.324 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.840 14.766 19.982 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.632 10.836 15.888 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.561 12.273 15.492 1.00 10.00 C ATOM 1013 C ALA A 72 -9.701 13.077 16.477 1.00 10.00 C ATOM 1014 O ALA A 72 -10.198 13.901 17.226 1.00 10.00 O ATOM 1015 CB ALA A 72 -12.013 12.752 15.525 1.00 10.00 C ATOM 0 HA ALA A 72 -10.101 12.406 14.513 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.055 13.805 15.245 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.606 12.166 14.822 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.415 12.627 16.531 1.00 10.00 H new ATOM 1021 N SER A 73 -8.414 12.852 16.471 1.00 10.00 N ATOM 1022 CA SER A 73 -7.516 13.606 17.392 1.00 10.00 C ATOM 1023 C SER A 73 -6.387 14.269 16.595 1.00 10.00 C ATOM 1024 O SER A 73 -6.184 13.976 15.435 1.00 10.00 O ATOM 1025 CB SER A 73 -6.953 12.556 18.348 1.00 50.00 C ATOM 1026 OG SER A 73 -8.009 12.006 19.122 1.00 50.00 O ATOM 0 H SER A 73 -7.946 12.177 15.867 1.00 10.00 H new ATOM 0 HA SER A 73 -8.040 14.399 17.926 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.452 11.768 17.786 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.206 13.007 19.001 1.00 50.00 H new ATOM 0 HG SER A 73 -7.959 12.353 20.037 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.656 15.160 17.206 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.546 15.843 16.484 1.00 10.00 C ATOM 1034 C ILE A 74 -3.293 15.871 17.365 1.00 10.00 C ATOM 1035 O ILE A 74 -3.004 16.851 18.022 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.070 17.257 16.233 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.382 17.180 15.450 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -4.043 18.054 15.427 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.112 16.615 14.053 1.00 10.00 C ATOM 0 H ILE A 74 -5.780 15.445 18.177 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.267 15.341 15.557 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.241 17.753 17.188 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.096 16.548 15.978 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.830 18.171 15.373 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.421 19.061 15.251 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.108 18.110 15.984 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.868 17.560 14.471 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.047 16.560 13.496 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.413 17.265 13.526 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.683 15.617 14.141 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.555 14.795 17.389 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.324 14.745 18.237 1.00 10.00 C ATOM 1053 C VAL A 75 -0.466 15.998 18.027 1.00 10.00 C ATOM 1054 O VAL A 75 -0.010 16.272 16.937 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.572 13.502 17.760 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.275 13.629 16.265 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.743 13.374 18.532 1.00 50.00 C ATOM 0 H VAL A 75 -2.749 13.946 16.858 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.563 14.705 19.300 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.184 12.617 17.935 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.261 12.743 15.924 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.211 13.721 15.715 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.337 14.514 16.090 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.280 12.488 18.192 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.355 14.259 18.357 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.532 13.284 19.598 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.231 16.758 19.064 1.00 10.00 N ATOM 1068 CA LYS A 76 0.607 17.982 18.907 1.00 10.00 C ATOM 1069 C LYS A 76 2.081 17.642 19.134 1.00 10.00 C ATOM 1070 O LYS A 76 2.959 18.448 18.897 1.00 10.00 O ATOM 1071 CB LYS A 76 0.108 18.953 19.977 1.00 25.00 C ATOM 1072 CG LYS A 76 0.230 20.386 19.455 1.00 25.00 C ATOM 1073 CD LYS A 76 1.288 21.137 20.266 1.00 50.00 C ATOM 1074 CE LYS A 76 1.624 22.458 19.567 1.00 50.00 C ATOM 1075 NZ LYS A 76 2.504 22.078 18.424 1.00 50.00 N ATOM 0 H LYS A 76 -0.581 16.586 20.007 1.00 10.00 H new ATOM 0 HA LYS A 76 0.528 18.409 17.907 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.929 18.733 20.229 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.690 18.836 20.891 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.504 20.378 18.400 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -0.731 20.895 19.531 1.00 25.00 H new ATOM 0 HD2 LYS A 76 0.920 21.330 21.274 1.00 50.00 H new ATOM 0 HD3 LYS A 76 2.186 20.527 20.366 1.00 50.00 H new ATOM 0 HE2 LYS A 76 0.722 22.961 19.220 1.00 50.00 H new ATOM 0 HE3 LYS A 76 2.132 23.145 20.244 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 3.248 22.795 18.305 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 2.942 21.154 18.615 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 1.937 22.019 17.554 1.00 50.00 H new ATOM 1089 N GLU A 77 2.359 16.451 19.590 1.00 10.00 N ATOM 1090 CA GLU A 77 3.776 16.056 19.831 1.00 10.00 C ATOM 1091 C GLU A 77 3.830 14.706 20.551 1.00 10.00 C ATOM 1092 O GLU A 77 3.157 14.491 21.539 1.00 10.00 O ATOM 1093 CB GLU A 77 4.350 17.161 20.718 1.00 10.00 C ATOM 1094 CG GLU A 77 5.533 17.820 20.005 1.00 10.00 C ATOM 1095 CD GLU A 77 6.843 17.255 20.561 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.953 16.043 20.645 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.711 18.044 20.892 1.00 25.00 O ATOM 0 H GLU A 77 1.666 15.734 19.806 1.00 10.00 H new ATOM 0 HA GLU A 77 4.339 15.946 18.904 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.582 17.904 20.936 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.672 16.746 21.673 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.472 17.638 18.932 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.501 18.900 20.147 1.00 10.00 H new ATOM 1104 N GLY A 78 4.629 13.795 20.064 1.00 10.00 N ATOM 1105 CA GLY A 78 4.726 12.461 20.720 1.00 10.00 C ATOM 1106 C GLY A 78 4.489 11.363 19.681 1.00 10.00 C ATOM 1107 O GLY A 78 4.544 11.601 18.490 1.00 10.00 O ATOM 0 H GLY A 78 5.218 13.918 19.240 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.708 12.339 21.176 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.991 12.383 21.521 1.00 10.00 H new ATOM 1111 N GLU A 79 4.228 10.163 20.121 1.00 10.00 N ATOM 1112 CA GLU A 79 3.988 9.051 19.158 1.00 10.00 C ATOM 1113 C GLU A 79 3.123 7.968 19.808 1.00 10.00 C ATOM 1114 O GLU A 79 3.297 7.633 20.963 1.00 10.00 O ATOM 1115 CB GLU A 79 5.378 8.505 18.829 1.00 25.00 C ATOM 1116 CG GLU A 79 5.246 7.294 17.904 1.00 25.00 C ATOM 1117 CD GLU A 79 6.571 7.062 17.176 1.00 50.00 C ATOM 1118 OE1 GLU A 79 7.605 7.246 17.797 1.00 50.00 O ATOM 1119 OE2 GLU A 79 6.529 6.704 16.011 1.00 50.00 O ATOM 0 H GLU A 79 4.170 9.904 21.106 1.00 10.00 H new ATOM 0 HA GLU A 79 3.460 9.384 18.264 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.980 9.278 18.350 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.895 8.221 19.746 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.976 6.410 18.481 1.00 25.00 H new ATOM 0 HG3 GLU A 79 4.446 7.460 17.182 1.00 25.00 H new ATOM 1126 N ILE A 80 2.192 7.421 19.077 1.00 10.00 N ATOM 1127 CA ILE A 80 1.315 6.364 19.659 1.00 10.00 C ATOM 1128 C ILE A 80 1.540 5.028 18.945 1.00 10.00 C ATOM 1129 O ILE A 80 1.819 4.983 17.764 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.111 6.863 19.427 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.288 8.227 20.097 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.104 5.865 20.026 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.123 9.137 19.194 1.00 50.00 C ATOM 0 H ILE A 80 2.000 7.659 18.104 1.00 10.00 H new ATOM 0 HA ILE A 80 1.523 6.194 20.715 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.294 6.958 18.357 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.778 8.108 21.063 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.685 8.680 20.286 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.121 6.220 19.861 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -0.977 4.894 19.548 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -0.922 5.769 21.096 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.248 10.108 19.672 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -0.615 9.266 18.238 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.101 8.686 19.027 1.00 50.00 H new ATOM 1145 N ASP A 81 1.417 3.940 19.657 1.00 10.00 N ATOM 1146 CA ASP A 81 1.619 2.605 19.024 1.00 10.00 C ATOM 1147 C ASP A 81 0.265 1.961 18.710 1.00 10.00 C ATOM 1148 O ASP A 81 -0.623 1.929 19.538 1.00 10.00 O ATOM 1149 CB ASP A 81 2.375 1.783 20.067 1.00 10.00 C ATOM 1150 CG ASP A 81 3.104 0.629 19.379 1.00 10.00 C ATOM 1151 OD1 ASP A 81 2.904 0.455 18.187 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.849 -0.062 20.053 1.00 10.00 O ATOM 0 H ASP A 81 1.185 3.918 20.650 1.00 10.00 H new ATOM 0 HA ASP A 81 2.166 2.671 18.083 1.00 10.00 H new ATOM 0 HB2 ASP A 81 3.089 2.415 20.595 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.681 1.395 20.812 1.00 10.00 H new ATOM 1157 N MET A 82 0.100 1.451 17.520 1.00 12.50 N ATOM 1158 CA MET A 82 -1.199 0.813 17.158 1.00 12.50 C ATOM 1159 C MET A 82 -0.966 -0.387 16.238 1.00 12.50 C ATOM 1160 O MET A 82 0.149 -0.684 15.858 1.00 12.50 O ATOM 1161 CB MET A 82 -1.981 1.904 16.425 1.00 12.50 C ATOM 1162 CG MET A 82 -1.150 2.420 15.249 1.00 12.50 C ATOM 1163 SD MET A 82 -2.255 2.945 13.915 1.00 12.50 S ATOM 1164 CE MET A 82 -1.008 3.027 12.607 1.00 50.00 C ATOM 0 H MET A 82 0.806 1.448 16.784 1.00 12.50 H new ATOM 0 HA MET A 82 -1.733 0.441 18.032 1.00 12.50 H new ATOM 0 HB2 MET A 82 -2.931 1.508 16.067 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.213 2.722 17.107 1.00 12.50 H new ATOM 0 HG2 MET A 82 -0.526 3.255 15.569 1.00 12.50 H new ATOM 0 HG3 MET A 82 -0.479 1.638 14.893 1.00 12.50 H new ATOM 0 HE1 MET A 82 -1.446 3.472 11.714 1.00 50.00 H new ATOM 0 HE2 MET A 82 -0.169 3.637 12.942 1.00 50.00 H new ATOM 0 HE3 MET A 82 -0.656 2.021 12.376 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.013 -1.077 15.874 1.00 50.00 N ATOM 1175 CA ASP A 83 -1.856 -2.256 14.975 1.00 50.00 C ATOM 1176 C ASP A 83 -1.619 -1.791 13.536 1.00 50.00 C ATOM 1177 O ASP A 83 -2.076 -0.741 13.131 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.180 -3.015 15.082 1.00 50.00 C ATOM 1179 CG ASP A 83 -2.919 -4.445 15.559 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -1.808 -4.715 15.984 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -3.836 -5.246 15.489 1.00 50.00 O ATOM 0 H ASP A 83 -2.971 -0.875 16.161 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.006 -2.879 15.253 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.847 -2.506 15.778 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.681 -3.030 14.114 1.00 50.00 H new ATOM 1275 N SER A 89 -1.956 8.364 6.612 1.00 12.50 N ATOM 1276 CA SER A 89 -0.642 8.444 5.912 1.00 12.50 C ATOM 1277 C SER A 89 0.337 9.303 6.718 1.00 12.50 C ATOM 1278 O SER A 89 -0.060 10.157 7.487 1.00 12.50 O ATOM 1279 CB SER A 89 -0.949 9.101 4.566 1.00 12.50 C ATOM 1280 OG SER A 89 -0.922 8.117 3.542 1.00 12.50 O ATOM 0 HA SER A 89 -0.179 7.465 5.791 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.927 9.581 4.598 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.218 9.881 4.355 1.00 12.50 H new ATOM 0 HG SER A 89 -1.120 8.537 2.679 1.00 12.50 H new ATOM 1286 N ASP A 90 1.613 9.083 6.549 1.00 10.00 N ATOM 1287 CA ASP A 90 2.616 9.886 7.307 1.00 10.00 C ATOM 1288 C ASP A 90 2.291 11.376 7.203 1.00 10.00 C ATOM 1289 O ASP A 90 2.219 12.079 8.192 1.00 10.00 O ATOM 1290 CB ASP A 90 3.955 9.581 6.635 1.00 10.00 C ATOM 1291 CG ASP A 90 5.010 10.574 7.127 1.00 10.00 C ATOM 1292 OD1 ASP A 90 5.583 10.329 8.176 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.228 11.563 6.446 1.00 10.00 O ATOM 0 H ASP A 90 2.004 8.382 5.919 1.00 10.00 H new ATOM 0 HA ASP A 90 2.626 9.638 8.368 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.265 8.561 6.864 1.00 10.00 H new ATOM 0 HB3 ASP A 90 3.854 9.648 5.552 1.00 10.00 H new ATOM 1298 N GLU A 91 2.092 11.861 6.012 1.00 12.50 N ATOM 1299 CA GLU A 91 1.771 13.306 5.837 1.00 12.50 C ATOM 1300 C GLU A 91 0.536 13.671 6.664 1.00 12.50 C ATOM 1301 O GLU A 91 0.316 14.818 6.996 1.00 12.50 O ATOM 1302 CB GLU A 91 1.484 13.469 4.344 1.00 12.50 C ATOM 1303 CG GLU A 91 1.535 14.953 3.973 1.00 12.50 C ATOM 1304 CD GLU A 91 2.171 15.113 2.590 1.00 50.00 C ATOM 1305 OE1 GLU A 91 3.384 15.224 2.528 1.00 50.00 O ATOM 1306 OE2 GLU A 91 1.434 15.122 1.618 1.00 50.00 O ATOM 0 H GLU A 91 2.137 11.320 5.149 1.00 12.50 H new ATOM 0 HA GLU A 91 2.581 13.955 6.168 1.00 12.50 H new ATOM 0 HB2 GLU A 91 2.216 12.912 3.759 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.504 13.057 4.104 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.529 15.373 3.973 1.00 12.50 H new ATOM 0 HG3 GLU A 91 2.111 15.505 4.716 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.268 12.701 6.999 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.489 12.989 7.806 1.00 10.00 C ATOM 1315 C GLU A 92 -1.106 13.254 9.264 1.00 10.00 C ATOM 1316 O GLU A 92 -1.634 14.141 9.905 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.341 11.725 7.699 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.808 12.074 7.962 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.661 11.611 6.780 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -4.680 10.420 6.518 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.283 12.457 6.157 1.00 50.00 O ATOM 0 H GLU A 92 -0.134 11.721 6.750 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.021 13.871 7.450 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.233 11.284 6.708 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.999 10.981 8.418 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.148 11.595 8.880 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.917 13.149 8.104 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.189 12.489 9.792 1.00 10.00 N ATOM 1329 CA VAL A 93 0.230 12.693 11.208 1.00 10.00 C ATOM 1330 C VAL A 93 1.158 13.908 11.311 1.00 10.00 C ATOM 1331 O VAL A 93 1.321 14.491 12.365 1.00 10.00 O ATOM 1332 CB VAL A 93 0.974 11.413 11.594 1.00 10.00 C ATOM 1333 CG1 VAL A 93 1.071 11.318 13.117 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.217 10.194 11.056 1.00 10.00 C ATOM 0 H VAL A 93 0.288 11.731 9.304 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.618 12.882 11.867 1.00 10.00 H new ATOM 0 HB VAL A 93 1.976 11.436 11.165 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.601 10.406 13.392 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.612 12.182 13.502 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.069 11.298 13.545 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.749 9.284 11.333 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -0.786 10.171 11.482 1.00 10.00 H new ATOM 0 HG23 VAL A 93 0.148 10.258 9.970 1.00 10.00 H new ATOM 1344 N GLU A 94 1.764 14.296 10.222 1.00 12.50 N ATOM 1345 CA GLU A 94 2.677 15.475 10.256 1.00 12.50 C ATOM 1346 C GLU A 94 1.921 16.731 9.817 1.00 12.50 C ATOM 1347 O GLU A 94 2.151 17.814 10.319 1.00 12.50 O ATOM 1348 CB GLU A 94 3.791 15.144 9.263 1.00 12.50 C ATOM 1349 CG GLU A 94 5.094 15.800 9.724 1.00 12.50 C ATOM 1350 CD GLU A 94 6.284 15.044 9.130 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.073 13.962 8.608 1.00 12.50 O ATOM 1352 OE2 GLU A 94 7.387 15.561 9.205 1.00 12.50 O ATOM 0 H GLU A 94 1.667 13.848 9.311 1.00 12.50 H new ATOM 0 HA GLU A 94 3.070 15.669 11.254 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.920 14.064 9.191 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.524 15.500 8.268 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.119 16.844 9.410 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.152 15.793 10.812 1.00 12.50 H new ATOM 1359 N GLU A 95 1.018 16.595 8.885 1.00 12.50 N ATOM 1360 CA GLU A 95 0.244 17.779 8.415 1.00 12.50 C ATOM 1361 C GLU A 95 -1.094 17.860 9.154 1.00 12.50 C ATOM 1362 O GLU A 95 -1.605 18.929 9.419 1.00 12.50 O ATOM 1363 CB GLU A 95 0.016 17.535 6.923 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.570 18.796 6.284 1.00 25.00 C ATOM 1365 CD GLU A 95 0.421 19.360 5.264 1.00 50.00 C ATOM 1366 OE1 GLU A 95 1.559 18.921 5.267 1.00 50.00 O ATOM 1367 OE2 GLU A 95 0.025 20.222 4.496 1.00 50.00 O ATOM 0 H GLU A 95 0.782 15.714 8.428 1.00 12.50 H new ATOM 0 HA GLU A 95 0.768 18.716 8.600 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.956 17.272 6.439 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.662 16.693 6.781 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.517 18.563 5.796 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.781 19.541 7.051 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.663 16.734 9.491 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.966 16.742 10.215 1.00 25.00 C ATOM 1376 C LYS A 96 -2.764 16.303 11.668 1.00 25.00 C ATOM 1377 O LYS A 96 -3.541 16.636 12.541 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.841 15.738 9.463 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.219 16.352 9.202 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.378 16.637 7.707 1.00 25.00 C ATOM 1381 CE LYS A 96 -6.003 18.021 7.516 1.00 25.00 C ATOM 1382 NZ LYS A 96 -5.008 18.782 6.709 1.00 25.00 N ATOM 0 H LYS A 96 -1.281 15.808 9.296 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.419 17.733 10.245 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.369 15.464 8.519 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.944 14.822 10.045 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -6.001 15.671 9.538 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.332 17.274 9.772 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -4.408 16.593 7.212 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.006 15.875 7.245 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -6.961 17.954 7.001 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -6.189 18.506 8.474 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -5.364 19.744 6.535 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -4.108 18.835 7.227 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -4.856 18.300 5.800 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.722 15.562 11.934 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.466 15.104 13.333 1.00 10.00 C ATOM 1398 C ASP A 97 -2.555 14.131 13.779 1.00 10.00 C ATOM 1399 O ASP A 97 -2.721 13.866 14.953 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.510 16.367 14.198 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.916 17.554 13.433 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.272 17.521 13.157 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.660 18.475 13.138 1.00 50.00 O ATOM 0 H ASP A 97 -1.037 15.253 11.244 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.510 14.587 13.416 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.539 16.586 14.482 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.953 16.204 15.121 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.302 13.600 12.855 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.384 12.650 13.232 1.00 10.00 C ATOM 1410 C VAL A 98 -3.813 11.242 13.410 1.00 10.00 C ATOM 1411 O VAL A 98 -2.709 10.952 12.991 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.368 12.689 12.063 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.312 11.487 12.147 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.183 13.983 12.123 1.00 50.00 C ATOM 0 H VAL A 98 -3.211 13.782 11.855 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.861 12.918 14.175 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.815 12.651 11.124 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.013 11.516 11.313 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -5.732 10.565 12.102 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -6.864 11.523 13.086 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.884 14.010 11.289 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.734 14.023 13.062 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -5.511 14.839 12.060 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.553 10.363 14.029 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.045 8.975 14.229 1.00 10.00 C ATOM 1426 C ARG A 99 -5.029 8.161 15.072 1.00 10.00 C ATOM 1427 O ARG A 99 -5.862 8.703 15.771 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.717 9.143 14.970 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.604 8.446 14.184 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.260 8.694 14.874 1.00 50.00 C ATOM 1431 NE ARG A 99 0.119 7.376 15.457 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.805 6.520 14.747 1.00 50.00 C ATOM 1433 NH1 ARG A 99 0.422 6.224 13.536 1.00 50.00 N ATOM 1434 NH2 ARG A 99 1.872 5.961 15.250 1.00 50.00 N ATOM 0 H ARG A 99 -5.484 10.544 14.404 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.924 8.443 13.286 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.485 10.202 15.088 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -2.791 8.719 15.971 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.802 7.376 14.124 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -1.575 8.823 13.162 1.00 50.00 H new ATOM 0 HD2 ARG A 99 0.490 9.043 14.164 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.347 9.458 15.647 1.00 50.00 H new ATOM 0 HE ARG A 99 -0.157 7.142 16.411 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -0.412 6.661 13.144 1.00 50.00 H new ATOM 0 HH12 ARG A 99 0.957 5.556 12.981 1.00 50.00 H new ATOM 0 HH21 ARG A 99 2.170 6.192 16.198 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.407 5.293 14.696 1.00 50.00 H new ATOM 1448 N LEU A 100 -4.938 6.861 15.010 1.00 10.00 N ATOM 1449 CA LEU A 100 -5.863 6.002 15.802 1.00 10.00 C ATOM 1450 C LEU A 100 -5.765 6.342 17.292 1.00 10.00 C ATOM 1451 O LEU A 100 -4.729 6.190 17.907 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.385 4.573 15.551 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.565 3.706 15.108 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -6.432 3.388 13.617 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -6.566 2.401 15.908 1.00 10.00 C ATOM 0 H LEU A 100 -4.259 6.354 14.442 1.00 10.00 H new ATOM 0 HA LEU A 100 -6.904 6.145 15.513 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.609 4.568 14.785 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -4.940 4.163 16.458 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.497 4.243 15.284 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -7.272 2.770 13.300 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -6.429 4.316 13.046 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.500 2.851 13.441 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -7.406 1.782 15.593 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -5.634 1.865 15.730 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -6.659 2.626 16.971 1.00 10.00 H new ATOM 1467 N THR A 101 -6.839 6.798 17.878 1.00 10.00 N ATOM 1468 CA THR A 101 -6.810 7.142 19.327 1.00 10.00 C ATOM 1469 C THR A 101 -7.459 6.023 20.145 1.00 10.00 C ATOM 1470 O THR A 101 -7.361 5.988 21.355 1.00 10.00 O ATOM 1471 CB THR A 101 -7.624 8.432 19.446 1.00 10.00 C ATOM 1472 OG1 THR A 101 -7.632 9.102 18.194 1.00 10.00 O ATOM 1473 CG2 THR A 101 -6.996 9.336 20.508 1.00 10.00 C ATOM 0 H THR A 101 -7.735 6.947 17.415 1.00 10.00 H new ATOM 0 HA THR A 101 -5.794 7.266 19.702 1.00 10.00 H new ATOM 0 HB THR A 101 -8.647 8.192 19.735 1.00 10.00 H new ATOM 0 HG1 THR A 101 -7.813 10.055 18.334 1.00 10.00 H new ATOM 0 HG21 THR A 101 -7.576 10.255 20.593 1.00 10.00 H new ATOM 0 HG22 THR A 101 -6.991 8.820 21.468 1.00 10.00 H new ATOM 0 HG23 THR A 101 -5.973 9.578 20.221 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.122 5.108 19.491 1.00 10.00 N ATOM 1482 CA CYS A 102 -8.777 3.989 20.232 1.00 10.00 C ATOM 1483 C CYS A 102 -7.906 2.733 20.155 1.00 10.00 C ATOM 1484 O CYS A 102 -7.086 2.589 19.271 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.116 3.747 19.523 1.00 10.00 C ATOM 1486 SG CYS A 102 -10.871 5.323 19.042 1.00 10.00 S ATOM 0 H CYS A 102 -8.239 5.086 18.478 1.00 10.00 H new ATOM 0 HA CYS A 102 -8.918 4.228 21.286 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.960 3.127 18.640 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -10.790 3.200 20.182 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.002 5.097 18.442 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.077 1.824 21.074 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.256 0.579 21.050 1.00 10.00 C ATOM 1493 C ILE A 103 -5.790 0.919 20.763 1.00 10.00 C ATOM 1494 O ILE A 103 -5.044 0.108 20.253 1.00 10.00 O ATOM 1495 CB ILE A 103 -7.844 -0.261 19.914 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -9.363 -0.342 20.073 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.251 -1.670 19.961 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -10.037 0.161 18.796 1.00 50.00 C ATOM 0 H ILE A 103 -8.748 1.888 21.840 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.279 0.050 22.003 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.603 0.203 18.958 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -9.664 -1.370 20.275 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -9.683 0.257 20.926 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -7.670 -2.268 19.152 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -6.168 -1.613 19.847 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -7.491 -2.134 20.917 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -11.120 0.103 18.909 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.746 1.195 18.614 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -9.727 -0.457 17.953 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.375 2.113 21.089 1.00 10.00 N ATOM 1511 CA GLY A 104 -3.960 2.504 20.836 1.00 10.00 C ATOM 1512 C GLY A 104 -3.331 3.012 22.136 1.00 10.00 C ATOM 1513 O GLY A 104 -4.000 3.570 22.982 1.00 10.00 O ATOM 0 H GLY A 104 -5.955 2.834 21.519 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.398 1.651 20.457 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -3.917 3.279 20.071 1.00 10.00 H new ATOM 1517 N SER A 105 -2.051 2.821 22.301 1.00 10.00 N ATOM 1518 CA SER A 105 -1.382 3.291 23.549 1.00 10.00 C ATOM 1519 C SER A 105 -0.225 4.234 23.208 1.00 10.00 C ATOM 1520 O SER A 105 0.421 4.083 22.191 1.00 10.00 O ATOM 1521 CB SER A 105 -0.860 2.019 24.218 1.00 10.00 C ATOM 1522 OG SER A 105 -0.016 2.368 25.305 1.00 10.00 O ATOM 0 H SER A 105 -1.439 2.361 21.627 1.00 10.00 H new ATOM 0 HA SER A 105 -2.059 3.846 24.198 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.694 1.413 24.571 1.00 10.00 H new ATOM 0 HB3 SER A 105 -0.310 1.415 23.496 1.00 10.00 H new ATOM 0 HG SER A 105 0.317 1.553 25.735 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.005 5.181 24.079 1.00 10.00 N ATOM 1529 CA PRO A 106 1.084 6.166 23.877 1.00 10.00 C ATOM 1530 C PRO A 106 2.448 5.508 24.114 1.00 10.00 C ATOM 1531 O PRO A 106 2.744 5.050 25.199 1.00 10.00 O ATOM 1532 CB PRO A 106 0.804 7.231 24.932 1.00 10.00 C ATOM 1533 CG PRO A 106 0.027 6.525 25.998 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.746 5.421 25.324 1.00 10.00 C ATOM 0 HA PRO A 106 1.113 6.573 22.866 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.730 7.647 25.329 1.00 10.00 H new ATOM 0 HB3 PRO A 106 0.235 8.061 24.513 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.695 6.119 26.757 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.648 7.215 26.504 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.786 4.525 25.944 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -1.776 5.718 25.125 1.00 10.00 H new ATOM 1542 N ALA A 107 3.277 5.458 23.108 1.00 10.00 N ATOM 1543 CA ALA A 107 4.618 4.828 23.282 1.00 10.00 C ATOM 1544 C ALA A 107 5.603 5.838 23.876 1.00 10.00 C ATOM 1545 O ALA A 107 6.652 5.479 24.372 1.00 10.00 O ATOM 1546 CB ALA A 107 5.051 4.420 21.873 1.00 50.00 C ATOM 0 H ALA A 107 3.086 5.825 22.176 1.00 10.00 H new ATOM 0 HA ALA A 107 4.589 3.976 23.961 1.00 10.00 H new ATOM 0 HB1 ALA A 107 6.032 3.947 21.916 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.328 3.717 21.459 1.00 50.00 H new ATOM 0 HB3 ALA A 107 5.102 5.304 21.238 1.00 50.00 H new ATOM 1552 N ALA A 108 5.274 7.100 23.828 1.00 10.00 N ATOM 1553 CA ALA A 108 6.193 8.132 24.389 1.00 10.00 C ATOM 1554 C ALA A 108 5.736 8.543 25.791 1.00 10.00 C ATOM 1555 O ALA A 108 4.573 8.445 26.130 1.00 10.00 O ATOM 1556 CB ALA A 108 6.091 9.316 23.426 1.00 50.00 C ATOM 0 H ALA A 108 4.409 7.461 23.425 1.00 10.00 H new ATOM 0 HA ALA A 108 7.216 7.767 24.483 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.740 10.121 23.769 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.399 9.002 22.429 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.061 9.670 23.392 1.00 50.00 H new ATOM 1562 N ASP A 109 6.641 9.007 26.610 1.00 50.00 N ATOM 1563 CA ASP A 109 6.255 9.425 27.987 1.00 50.00 C ATOM 1564 C ASP A 109 5.183 10.515 27.921 1.00 50.00 C ATOM 1565 O ASP A 109 4.003 10.245 28.016 1.00 50.00 O ATOM 1566 CB ASP A 109 7.539 9.975 28.609 1.00 50.00 C ATOM 1567 CG ASP A 109 8.112 8.950 29.590 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.791 7.780 29.449 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.861 9.351 30.465 1.00 50.00 O ATOM 0 H ASP A 109 7.630 9.114 26.385 1.00 50.00 H new ATOM 0 HA ASP A 109 5.841 8.602 28.570 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.268 10.195 27.829 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.333 10.912 29.126 1.00 50.00 H new ATOM 1574 N GLU A 110 5.584 11.746 27.752 1.00 10.00 N ATOM 1575 CA GLU A 110 4.586 12.850 27.675 1.00 10.00 C ATOM 1576 C GLU A 110 4.201 13.105 26.214 1.00 10.00 C ATOM 1577 O GLU A 110 5.008 13.544 25.418 1.00 10.00 O ATOM 1578 CB GLU A 110 5.295 14.070 28.263 1.00 10.00 C ATOM 1579 CG GLU A 110 4.764 14.338 29.674 1.00 10.00 C ATOM 1580 CD GLU A 110 5.638 13.607 30.696 1.00 50.00 C ATOM 1581 OE1 GLU A 110 6.840 13.811 30.670 1.00 50.00 O ATOM 1582 OE2 GLU A 110 5.090 12.856 31.484 1.00 50.00 O ATOM 0 H GLU A 110 6.558 12.034 27.664 1.00 10.00 H new ATOM 0 HA GLU A 110 3.667 12.617 28.214 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.371 13.899 28.294 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.129 14.941 27.629 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.766 15.409 29.878 1.00 10.00 H new ATOM 0 HG3 GLU A 110 3.731 14.000 29.755 1.00 10.00 H new ATOM 1589 N VAL A 111 2.977 12.829 25.854 1.00 10.00 N ATOM 1590 CA VAL A 111 2.547 13.050 24.443 1.00 10.00 C ATOM 1591 C VAL A 111 1.473 14.139 24.375 1.00 10.00 C ATOM 1592 O VAL A 111 0.569 14.186 25.186 1.00 10.00 O ATOM 1593 CB VAL A 111 1.977 11.706 23.993 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.383 11.844 22.591 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.095 10.660 23.973 1.00 12.50 C ATOM 0 H VAL A 111 2.257 12.460 26.475 1.00 10.00 H new ATOM 0 HA VAL A 111 3.369 13.381 23.808 1.00 10.00 H new ATOM 0 HB VAL A 111 1.197 11.393 24.687 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.977 10.884 22.272 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.587 12.588 22.605 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.161 12.158 21.895 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.690 9.700 23.652 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.875 10.975 23.280 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.517 10.559 24.973 1.00 12.50 H new ATOM 1605 N LYS A 112 1.563 15.017 23.411 1.00 10.00 N ATOM 1606 CA LYS A 112 0.546 16.103 23.291 1.00 10.00 C ATOM 1607 C LYS A 112 -0.437 15.786 22.160 1.00 10.00 C ATOM 1608 O LYS A 112 -0.059 15.298 21.114 1.00 10.00 O ATOM 1609 CB LYS A 112 1.344 17.366 22.969 1.00 25.00 C ATOM 1610 CG LYS A 112 2.294 17.677 24.128 1.00 25.00 C ATOM 1611 CD LYS A 112 2.398 19.191 24.314 1.00 25.00 C ATOM 1612 CE LYS A 112 3.327 19.774 23.246 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.291 20.624 24.001 1.00 25.00 N ATOM 0 H LYS A 112 2.296 15.029 22.702 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.043 16.216 24.201 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.910 17.227 22.048 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.668 18.205 22.804 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.930 17.212 25.044 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.279 17.257 23.927 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.410 19.646 24.240 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.781 19.421 25.309 1.00 25.00 H new ATOM 0 HE2 LYS A 112 3.841 18.986 22.696 1.00 25.00 H new ATOM 0 HE3 LYS A 112 2.770 20.361 22.515 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 4.963 21.060 23.338 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 3.773 21.369 24.509 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 4.811 20.037 24.684 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.695 16.058 22.367 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.708 15.773 21.311 1.00 10.00 C ATOM 1629 C ILE A 113 -3.974 16.596 21.556 1.00 10.00 C ATOM 1630 O ILE A 113 -4.415 16.759 22.678 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.002 14.279 21.441 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.117 13.891 20.469 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.446 13.971 22.872 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.760 12.569 19.784 1.00 10.00 C ATOM 0 H ILE A 113 -2.067 16.467 23.224 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.352 16.033 20.314 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.102 13.710 21.207 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.062 13.792 21.003 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.253 14.674 19.723 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.656 12.906 22.966 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.653 14.247 23.567 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.346 14.540 23.104 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.555 12.292 19.091 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.825 12.684 19.236 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.646 11.788 20.536 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.565 17.114 20.514 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.806 17.925 20.685 1.00 10.00 C ATOM 1648 C VAL A 114 -7.035 17.046 20.437 1.00 10.00 C ATOM 1649 O VAL A 114 -7.002 16.134 19.635 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.712 19.031 19.630 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.688 20.155 19.979 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.288 19.591 19.599 1.00 50.00 C ATOM 0 H VAL A 114 -4.243 17.011 19.552 1.00 10.00 H new ATOM 0 HA VAL A 114 -5.900 18.336 21.690 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.963 18.618 18.653 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.621 20.942 19.228 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.704 19.761 20.001 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -6.436 20.565 20.957 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.223 20.378 18.848 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.037 20.001 20.577 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.589 18.793 19.350 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.118 17.304 21.119 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.333 16.468 20.912 1.00 10.00 C ATOM 1664 C TYR A 115 -10.440 17.289 20.229 1.00 10.00 C ATOM 1665 O TYR A 115 -10.305 18.484 20.028 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.722 15.985 22.325 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.932 16.721 22.858 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.786 17.993 23.420 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.195 16.121 22.799 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.904 18.668 23.921 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.315 16.797 23.299 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.168 18.072 23.860 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.271 18.739 24.355 1.00 50.00 O ATOM 0 H TYR A 115 -8.213 18.052 21.806 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.164 15.619 20.249 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.930 14.915 22.299 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.881 16.130 23.003 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.811 18.454 23.467 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.306 15.137 22.368 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.791 19.650 24.355 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.291 16.336 23.252 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.986 19.377 25.042 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.521 16.639 19.857 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.653 17.338 19.165 1.00 10.00 C ATOM 1685 C ASN A 116 -12.308 17.577 17.693 1.00 10.00 C ATOM 1686 O ASN A 116 -12.862 18.450 17.057 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.841 18.676 19.885 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.308 18.832 20.292 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.864 17.974 20.947 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -14.964 19.900 19.926 1.00 10.00 N ATOM 0 H ASN A 116 -11.667 15.641 20.006 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.563 16.739 19.197 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.201 18.721 20.766 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.544 19.497 19.233 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -15.943 20.013 20.190 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.498 20.621 19.376 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.403 16.806 17.143 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.023 16.997 15.709 1.00 10.00 C ATOM 1699 C ALA A 117 -12.252 17.321 14.850 1.00 10.00 C ATOM 1700 O ALA A 117 -12.141 17.950 13.816 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.407 15.667 15.278 1.00 50.00 C ATOM 0 H ALA A 117 -10.911 16.053 17.624 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.332 17.831 15.585 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.102 15.729 14.233 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.537 15.451 15.898 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.142 14.871 15.395 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.418 16.903 15.263 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.644 17.197 14.460 1.00 12.50 C ATOM 1709 C LYS A 118 -14.606 18.639 13.938 1.00 12.50 C ATOM 1710 O LYS A 118 -15.200 18.959 12.929 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.813 17.004 15.430 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.664 17.959 16.619 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.037 18.513 17.005 1.00 12.50 C ATOM 1714 CE LYS A 118 -17.627 19.278 15.820 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.678 20.156 16.409 1.00 50.00 N ATOM 0 H LYS A 118 -13.576 16.372 16.119 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.730 16.549 13.588 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.757 17.191 14.918 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.839 15.973 15.781 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.220 17.436 17.466 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -14.990 18.776 16.361 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.702 17.699 17.294 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -16.946 19.172 17.869 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -16.863 19.865 15.310 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.051 18.596 15.082 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.128 20.713 15.655 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.395 19.570 16.882 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.245 20.799 17.102 1.00 50.00 H new ATOM 1726 N HIS A 119 -13.913 19.509 14.621 1.00 50.00 N ATOM 1727 CA HIS A 119 -13.832 20.925 14.171 1.00 50.00 C ATOM 1728 C HIS A 119 -13.038 21.021 12.865 1.00 50.00 C ATOM 1729 O HIS A 119 -13.151 21.979 12.126 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.089 21.638 15.297 1.00 50.00 C ATOM 1731 CG HIS A 119 -11.749 20.980 15.498 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -10.775 20.977 14.511 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -11.205 20.302 16.563 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -9.707 20.318 14.997 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -9.916 19.885 16.244 1.00 50.00 N ATOM 0 H HIS A 119 -13.397 19.297 15.475 1.00 50.00 H new ATOM 0 HA HIS A 119 -14.813 21.360 13.978 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.957 22.692 15.052 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.671 21.595 16.218 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -11.702 20.120 17.504 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -8.792 20.158 14.446 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -9.270 19.362 16.835 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.229 20.036 12.584 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.416 20.061 11.334 1.00 12.50 C ATOM 1745 C LEU A 120 -12.243 20.601 10.163 1.00 12.50 C ATOM 1746 O LEU A 120 -13.335 20.142 9.896 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.030 18.603 11.086 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.526 18.430 11.301 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.285 17.353 12.362 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.869 18.006 9.986 1.00 12.50 C ATOM 0 H LEU A 120 -12.095 19.211 13.169 1.00 12.50 H new ATOM 0 HA LEU A 120 -10.544 20.708 11.427 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.582 17.950 11.761 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.299 18.312 10.070 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.094 19.374 11.635 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.213 17.228 12.517 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.754 17.654 13.299 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.716 16.409 12.027 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -7.797 17.882 10.138 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.299 17.062 9.652 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.042 18.771 9.229 1.00 12.50 H new