USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1000 hydrogens (45 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 121 THR OG1 : rot -111:sc= 0.93 USER MOD Set 1.2: A 123 THR OG1 : rot 180:sc= 0.274 USER MOD Set 2.1: A 49 ASN :FLIP amide:sc= -1.87 F(o=-10,f=-9.5) USER MOD Set 2.2: A 54 GLN :FLIP amide:sc= -7.68! C(o=-12!,f=-9.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.04 (180deg=-2.11!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HE2:sc= -5.15! C(o=-5.1!,f=-9.1!) USER MOD Single : A 73 MET CE :methyl -172:sc= 0 (180deg=-0.101) USER MOD Single : A 75 ASN : amide:sc= -4.83! C(o=-4.8!,f=-9.6!) USER MOD Single : A 92 HIS : no HD1:sc=-0.00548 X(o=-0.0055,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.41) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -3.14! C(o=-3.1!,f=-2.7!) USER MOD Single : A 113 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.2) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.456 24.980 -22.690 1.00 1.00 N ATOM 2 CA MET A 1 77.976 23.602 -22.934 1.00 1.00 C ATOM 3 C MET A 1 76.823 22.606 -22.843 1.00 1.00 C ATOM 4 O MET A 1 75.764 22.921 -22.300 1.00 1.00 O ATOM 5 CB MET A 1 79.019 23.284 -21.855 1.00 1.00 C ATOM 6 CG MET A 1 78.563 23.885 -20.514 1.00 1.00 C ATOM 7 SD MET A 1 79.097 25.613 -20.409 1.00 1.00 S ATOM 8 CE MET A 1 80.586 25.344 -19.413 1.00 1.00 C ATOM 0 H1 MET A 1 78.196 25.556 -22.240 1.00 1.00 H new ATOM 0 H2 MET A 1 77.183 25.413 -23.595 1.00 1.00 H new ATOM 0 H3 MET A 1 76.626 24.932 -22.065 1.00 1.00 H new ATOM 0 HA MET A 1 78.429 23.535 -23.923 1.00 1.00 H new ATOM 0 HB2 MET A 1 79.143 22.205 -21.760 1.00 1.00 H new ATOM 0 HB3 MET A 1 79.989 23.693 -22.139 1.00 1.00 H new ATOM 0 HG2 MET A 1 77.478 23.823 -20.426 1.00 1.00 H new ATOM 0 HG3 MET A 1 78.983 23.313 -19.686 1.00 1.00 H new ATOM 0 HE1 MET A 1 81.078 26.299 -19.228 1.00 1.00 H new ATOM 0 HE2 MET A 1 80.310 24.888 -18.462 1.00 1.00 H new ATOM 0 HE3 MET A 1 81.267 24.683 -19.948 1.00 1.00 H new ATOM 18 N SER A 2 77.032 21.403 -23.375 1.00 1.00 N ATOM 19 CA SER A 2 76.010 20.356 -23.360 1.00 1.00 C ATOM 20 C SER A 2 76.065 19.548 -22.063 1.00 1.00 C ATOM 21 O SER A 2 75.372 18.543 -21.939 1.00 1.00 O ATOM 22 CB SER A 2 76.215 19.417 -24.550 1.00 1.00 C ATOM 23 OG SER A 2 77.426 18.692 -24.373 1.00 1.00 O ATOM 0 H SER A 2 77.905 21.127 -23.825 1.00 1.00 H new ATOM 0 HA SER A 2 75.034 20.836 -23.427 1.00 1.00 H new ATOM 0 HB2 SER A 2 75.374 18.728 -24.634 1.00 1.00 H new ATOM 0 HB3 SER A 2 76.252 19.989 -25.477 1.00 1.00 H new ATOM 0 HG SER A 2 77.560 18.088 -25.133 1.00 1.00 H new ATOM 29 N ASP A 3 76.872 20.029 -21.106 1.00 1.00 N ATOM 30 CA ASP A 3 77.016 19.386 -19.782 1.00 1.00 C ATOM 31 C ASP A 3 78.411 19.620 -19.203 1.00 1.00 C ATOM 32 O ASP A 3 79.423 19.273 -19.811 1.00 1.00 O ATOM 33 CB ASP A 3 76.728 17.869 -19.854 1.00 1.00 C ATOM 34 CG ASP A 3 77.310 17.126 -18.647 1.00 1.00 C ATOM 35 OD1 ASP A 3 76.724 17.215 -17.580 1.00 1.00 O ATOM 36 OD2 ASP A 3 78.326 16.469 -18.813 1.00 1.00 O ATOM 0 H ASP A 3 77.441 20.868 -21.221 1.00 1.00 H new ATOM 0 HA ASP A 3 76.280 19.847 -19.123 1.00 1.00 H new ATOM 0 HB2 ASP A 3 75.651 17.704 -19.899 1.00 1.00 H new ATOM 0 HB3 ASP A 3 77.151 17.461 -20.772 1.00 1.00 H new ATOM 41 N PHE A 4 78.442 20.190 -18.005 1.00 1.00 N ATOM 42 CA PHE A 4 79.702 20.450 -17.320 1.00 1.00 C ATOM 43 C PHE A 4 79.484 20.517 -15.816 1.00 1.00 C ATOM 44 O PHE A 4 78.410 20.894 -15.349 1.00 1.00 O ATOM 45 CB PHE A 4 80.308 21.761 -17.814 1.00 1.00 C ATOM 46 CG PHE A 4 81.644 21.983 -17.149 1.00 1.00 C ATOM 47 CD1 PHE A 4 82.774 21.310 -17.626 1.00 1.00 C ATOM 48 CD2 PHE A 4 81.755 22.859 -16.062 1.00 1.00 C ATOM 49 CE1 PHE A 4 84.017 21.514 -17.018 1.00 1.00 C ATOM 50 CE2 PHE A 4 83.000 23.062 -15.452 1.00 1.00 C ATOM 51 CZ PHE A 4 84.131 22.389 -15.932 1.00 1.00 C ATOM 0 H PHE A 4 77.612 20.480 -17.489 1.00 1.00 H new ATOM 0 HA PHE A 4 80.390 19.634 -17.540 1.00 1.00 H new ATOM 0 HB2 PHE A 4 80.430 21.732 -18.897 1.00 1.00 H new ATOM 0 HB3 PHE A 4 79.637 22.590 -17.591 1.00 1.00 H new ATOM 0 HD1 PHE A 4 82.687 20.633 -18.463 1.00 1.00 H new ATOM 0 HD2 PHE A 4 80.882 23.378 -15.694 1.00 1.00 H new ATOM 0 HE1 PHE A 4 84.890 20.996 -17.387 1.00 1.00 H new ATOM 0 HE2 PHE A 4 83.088 23.736 -14.613 1.00 1.00 H new ATOM 0 HZ PHE A 4 85.091 22.546 -15.464 1.00 1.00 H new ATOM 61 N ASP A 5 80.513 20.154 -15.061 1.00 1.00 N ATOM 62 CA ASP A 5 80.437 20.183 -13.604 1.00 1.00 C ATOM 63 C ASP A 5 81.823 20.436 -13.022 1.00 1.00 C ATOM 64 O ASP A 5 82.828 20.035 -13.606 1.00 1.00 O ATOM 65 CB ASP A 5 79.881 18.852 -13.083 1.00 1.00 C ATOM 66 CG ASP A 5 78.413 18.705 -13.470 1.00 1.00 C ATOM 67 OD1 ASP A 5 77.701 19.694 -13.413 1.00 1.00 O ATOM 68 OD2 ASP A 5 78.022 17.602 -13.819 1.00 1.00 O ATOM 0 H ASP A 5 81.409 19.837 -15.431 1.00 1.00 H new ATOM 0 HA ASP A 5 79.770 20.988 -13.295 1.00 1.00 H new ATOM 0 HB2 ASP A 5 80.457 18.023 -13.494 1.00 1.00 H new ATOM 0 HB3 ASP A 5 79.985 18.806 -11.999 1.00 1.00 H new ATOM 73 N THR A 6 81.878 21.115 -11.879 1.00 1.00 N ATOM 74 CA THR A 6 83.159 21.417 -11.250 1.00 1.00 C ATOM 75 C THR A 6 83.788 20.143 -10.693 1.00 1.00 C ATOM 76 O THR A 6 83.165 19.126 -10.622 1.00 1.00 O ATOM 77 CB THR A 6 82.960 22.452 -10.116 1.00 1.00 C ATOM 78 OG1 THR A 6 81.651 22.994 -10.203 1.00 1.00 O ATOM 79 CG2 THR A 6 83.981 23.589 -10.234 1.00 1.00 C ATOM 0 H THR A 6 81.062 21.462 -11.376 1.00 1.00 H new ATOM 0 HA THR A 6 83.829 21.837 -12.000 1.00 1.00 H new ATOM 0 HB THR A 6 83.100 21.951 -9.158 1.00 1.00 H new ATOM 0 HG1 THR A 6 81.520 23.649 -9.486 1.00 1.00 H new ATOM 0 HG21 THR A 6 83.823 24.305 -9.427 1.00 1.00 H new ATOM 0 HG22 THR A 6 84.989 23.181 -10.165 1.00 1.00 H new ATOM 0 HG23 THR A 6 83.858 24.091 -11.194 1.00 1.00 H new ATOM 87 N GLU A 7 85.032 20.232 -10.328 1.00 1.00 N ATOM 88 CA GLU A 7 85.744 19.073 -9.795 1.00 1.00 C ATOM 89 C GLU A 7 85.020 18.523 -8.563 1.00 1.00 C ATOM 90 O GLU A 7 84.664 17.355 -8.505 1.00 1.00 O ATOM 91 CB GLU A 7 87.169 19.483 -9.427 1.00 1.00 C ATOM 92 CG GLU A 7 87.158 20.692 -8.465 1.00 1.00 C ATOM 93 CD GLU A 7 88.456 21.492 -8.603 1.00 1.00 C ATOM 94 OE1 GLU A 7 88.579 22.225 -9.572 1.00 1.00 O ATOM 95 OE2 GLU A 7 89.306 21.361 -7.739 1.00 1.00 O ATOM 0 H GLU A 7 85.587 21.086 -10.383 1.00 1.00 H new ATOM 0 HA GLU A 7 85.775 18.290 -10.553 1.00 1.00 H new ATOM 0 HB2 GLU A 7 87.685 18.644 -8.959 1.00 1.00 H new ATOM 0 HB3 GLU A 7 87.725 19.735 -10.330 1.00 1.00 H new ATOM 0 HG2 GLU A 7 86.303 21.332 -8.684 1.00 1.00 H new ATOM 0 HG3 GLU A 7 87.043 20.347 -7.437 1.00 1.00 H new ATOM 102 N ARG A 8 84.854 19.374 -7.573 1.00 1.00 N ATOM 103 CA ARG A 8 84.208 18.925 -6.340 1.00 1.00 C ATOM 104 C ARG A 8 82.877 18.272 -6.720 1.00 1.00 C ATOM 105 O ARG A 8 82.629 17.116 -6.435 1.00 1.00 O ATOM 106 CB ARG A 8 83.962 20.114 -5.397 1.00 1.00 C ATOM 107 CG ARG A 8 83.132 19.676 -4.149 1.00 1.00 C ATOM 108 CD ARG A 8 81.823 20.486 -4.034 1.00 1.00 C ATOM 109 NE ARG A 8 82.081 21.754 -3.354 1.00 1.00 N ATOM 110 CZ ARG A 8 81.414 22.869 -3.652 1.00 1.00 C ATOM 111 NH1 ARG A 8 80.532 22.884 -4.616 1.00 1.00 N ATOM 112 NH2 ARG A 8 81.651 23.958 -2.977 1.00 1.00 N ATOM 0 H ARG A 8 85.144 20.352 -7.585 1.00 1.00 H new ATOM 0 HA ARG A 8 84.848 18.213 -5.819 1.00 1.00 H new ATOM 0 HB2 ARG A 8 84.916 20.531 -5.075 1.00 1.00 H new ATOM 0 HB3 ARG A 8 83.433 20.903 -5.931 1.00 1.00 H new ATOM 0 HG2 ARG A 8 82.900 18.613 -4.219 1.00 1.00 H new ATOM 0 HG3 ARG A 8 83.728 19.814 -3.247 1.00 1.00 H new ATOM 0 HD2 ARG A 8 81.412 20.672 -5.026 1.00 1.00 H new ATOM 0 HD3 ARG A 8 81.078 19.913 -3.483 1.00 1.00 H new ATOM 0 HE ARG A 8 82.796 21.787 -2.627 1.00 1.00 H new ATOM 0 HH11 ARG A 8 80.347 22.036 -5.151 1.00 1.00 H new ATOM 0 HH12 ARG A 8 80.029 23.744 -4.833 1.00 1.00 H new ATOM 0 HH21 ARG A 8 82.342 23.953 -2.227 1.00 1.00 H new ATOM 0 HH22 ARG A 8 81.145 24.816 -3.198 1.00 1.00 H new ATOM 126 N VAL A 9 82.061 19.019 -7.414 1.00 1.00 N ATOM 127 CA VAL A 9 80.778 18.472 -7.847 1.00 1.00 C ATOM 128 C VAL A 9 81.010 17.316 -8.827 1.00 1.00 C ATOM 129 O VAL A 9 80.444 16.266 -8.669 1.00 1.00 O ATOM 130 CB VAL A 9 79.859 19.549 -8.461 1.00 1.00 C ATOM 131 CG1 VAL A 9 78.893 20.092 -7.399 1.00 1.00 C ATOM 132 CG2 VAL A 9 80.701 20.703 -8.972 1.00 1.00 C ATOM 0 H VAL A 9 82.242 19.983 -7.692 1.00 1.00 H new ATOM 0 HA VAL A 9 80.261 18.093 -6.965 1.00 1.00 H new ATOM 0 HB VAL A 9 79.294 19.098 -9.277 1.00 1.00 H new ATOM 0 HG11 VAL A 9 78.251 20.851 -7.846 1.00 1.00 H new ATOM 0 HG12 VAL A 9 78.279 19.277 -7.015 1.00 1.00 H new ATOM 0 HG13 VAL A 9 79.462 20.534 -6.581 1.00 1.00 H new ATOM 0 HG21 VAL A 9 80.051 21.463 -9.406 1.00 1.00 H new ATOM 0 HG22 VAL A 9 81.265 21.136 -8.146 1.00 1.00 H new ATOM 0 HG23 VAL A 9 81.392 20.340 -9.732 1.00 1.00 H new ATOM 142 N SER A 10 81.822 17.534 -9.839 1.00 1.00 N ATOM 143 CA SER A 10 82.052 16.465 -10.825 1.00 1.00 C ATOM 144 C SER A 10 82.767 15.270 -10.191 1.00 1.00 C ATOM 145 O SER A 10 82.229 14.174 -10.176 1.00 1.00 O ATOM 146 CB SER A 10 82.898 16.961 -12.002 1.00 1.00 C ATOM 147 OG SER A 10 82.926 15.956 -13.011 1.00 1.00 O ATOM 0 H SER A 10 82.325 18.405 -10.011 1.00 1.00 H new ATOM 0 HA SER A 10 81.069 16.159 -11.184 1.00 1.00 H new ATOM 0 HB2 SER A 10 82.480 17.885 -12.403 1.00 1.00 H new ATOM 0 HB3 SER A 10 83.911 17.187 -11.668 1.00 1.00 H new ATOM 0 HG SER A 10 83.464 16.268 -13.768 1.00 1.00 H new ATOM 153 N ARG A 11 83.996 15.469 -9.729 1.00 1.00 N ATOM 154 CA ARG A 11 84.776 14.354 -9.169 1.00 1.00 C ATOM 155 C ARG A 11 84.127 13.781 -7.906 1.00 1.00 C ATOM 156 O ARG A 11 83.840 12.597 -7.826 1.00 1.00 O ATOM 157 CB ARG A 11 86.188 14.858 -8.837 1.00 1.00 C ATOM 158 CG ARG A 11 87.170 13.672 -8.737 1.00 1.00 C ATOM 159 CD ARG A 11 87.801 13.379 -10.110 1.00 1.00 C ATOM 160 NE ARG A 11 88.452 14.577 -10.651 1.00 1.00 N ATOM 161 CZ ARG A 11 89.466 14.488 -11.518 1.00 1.00 C ATOM 162 NH1 ARG A 11 89.934 13.318 -11.861 1.00 1.00 N ATOM 163 NH2 ARG A 11 89.998 15.572 -12.019 1.00 1.00 N ATOM 0 H ARG A 11 84.473 16.371 -9.727 1.00 1.00 H new ATOM 0 HA ARG A 11 84.815 13.555 -9.910 1.00 1.00 H new ATOM 0 HB2 ARG A 11 86.524 15.553 -9.607 1.00 1.00 H new ATOM 0 HB3 ARG A 11 86.173 15.407 -7.896 1.00 1.00 H new ATOM 0 HG2 ARG A 11 87.951 13.899 -8.012 1.00 1.00 H new ATOM 0 HG3 ARG A 11 86.646 12.788 -8.375 1.00 1.00 H new ATOM 0 HD2 ARG A 11 88.530 12.575 -10.016 1.00 1.00 H new ATOM 0 HD3 ARG A 11 87.033 13.033 -10.802 1.00 1.00 H new ATOM 0 HE ARG A 11 88.124 15.498 -10.360 1.00 1.00 H new ATOM 0 HH11 ARG A 11 89.526 12.470 -11.467 1.00 1.00 H new ATOM 0 HH12 ARG A 11 90.708 13.252 -12.523 1.00 1.00 H new ATOM 0 HH21 ARG A 11 89.640 16.488 -11.749 1.00 1.00 H new ATOM 0 HH22 ARG A 11 90.771 15.502 -12.680 1.00 1.00 H new ATOM 177 N ALA A 12 83.956 14.621 -6.906 1.00 1.00 N ATOM 178 CA ALA A 12 83.397 14.125 -5.646 1.00 1.00 C ATOM 179 C ALA A 12 82.126 13.338 -5.985 1.00 1.00 C ATOM 180 O ALA A 12 81.959 12.192 -5.573 1.00 1.00 O ATOM 181 CB ALA A 12 83.114 15.266 -4.661 1.00 1.00 C ATOM 0 H ALA A 12 84.183 15.615 -6.927 1.00 1.00 H new ATOM 0 HA ALA A 12 84.117 13.477 -5.146 1.00 1.00 H new ATOM 0 HB1 ALA A 12 82.700 14.857 -3.739 1.00 1.00 H new ATOM 0 HB2 ALA A 12 84.042 15.794 -4.440 1.00 1.00 H new ATOM 0 HB3 ALA A 12 82.399 15.959 -5.103 1.00 1.00 H new ATOM 187 N VAL A 13 81.272 13.954 -6.785 1.00 1.00 N ATOM 188 CA VAL A 13 80.066 13.247 -7.201 1.00 1.00 C ATOM 189 C VAL A 13 80.492 12.004 -7.966 1.00 1.00 C ATOM 190 O VAL A 13 80.028 10.938 -7.675 1.00 1.00 O ATOM 191 CB VAL A 13 79.106 14.065 -8.069 1.00 1.00 C ATOM 192 CG1 VAL A 13 77.923 13.182 -8.499 1.00 1.00 C ATOM 193 CG2 VAL A 13 78.580 15.263 -7.262 1.00 1.00 C ATOM 0 H VAL A 13 81.379 14.901 -7.148 1.00 1.00 H new ATOM 0 HA VAL A 13 79.510 13.014 -6.293 1.00 1.00 H new ATOM 0 HB VAL A 13 79.633 14.423 -8.953 1.00 1.00 H new ATOM 0 HG11 VAL A 13 77.240 13.765 -9.117 1.00 1.00 H new ATOM 0 HG12 VAL A 13 78.293 12.331 -9.071 1.00 1.00 H new ATOM 0 HG13 VAL A 13 77.396 12.823 -7.615 1.00 1.00 H new ATOM 0 HG21 VAL A 13 77.896 15.846 -7.880 1.00 1.00 H new ATOM 0 HG22 VAL A 13 78.053 14.903 -6.378 1.00 1.00 H new ATOM 0 HG23 VAL A 13 79.417 15.891 -6.955 1.00 1.00 H new ATOM 203 N ALA A 14 81.388 12.132 -8.939 1.00 1.00 N ATOM 204 CA ALA A 14 81.794 10.934 -9.678 1.00 1.00 C ATOM 205 C ALA A 14 82.356 9.891 -8.711 1.00 1.00 C ATOM 206 O ALA A 14 81.829 8.805 -8.601 1.00 1.00 O ATOM 207 CB ALA A 14 82.872 11.284 -10.704 1.00 1.00 C ATOM 0 H ALA A 14 81.830 13.005 -9.227 1.00 1.00 H new ATOM 0 HA ALA A 14 80.919 10.533 -10.190 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.164 10.385 -11.246 1.00 1.00 H new ATOM 0 HB2 ALA A 14 82.480 12.020 -11.407 1.00 1.00 H new ATOM 0 HB3 ALA A 14 83.741 11.698 -10.192 1.00 1.00 H new ATOM 213 N ALA A 15 83.442 10.239 -8.040 1.00 1.00 N ATOM 214 CA ALA A 15 84.093 9.302 -7.110 1.00 1.00 C ATOM 215 C ALA A 15 83.049 8.744 -6.142 1.00 1.00 C ATOM 216 O ALA A 15 82.911 7.542 -5.969 1.00 1.00 O ATOM 217 CB ALA A 15 85.173 10.040 -6.309 1.00 1.00 C ATOM 0 H ALA A 15 83.895 11.150 -8.113 1.00 1.00 H new ATOM 0 HA ALA A 15 84.548 8.489 -7.676 1.00 1.00 H new ATOM 0 HB1 ALA A 15 85.654 9.345 -5.621 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.918 10.448 -6.992 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.716 10.852 -5.744 1.00 1.00 H new ATOM 223 N ALA A 16 82.352 9.653 -5.509 1.00 1.00 N ATOM 224 CA ALA A 16 81.338 9.254 -4.540 1.00 1.00 C ATOM 225 C ALA A 16 80.240 8.454 -5.263 1.00 1.00 C ATOM 226 O ALA A 16 79.884 7.343 -4.874 1.00 1.00 O ATOM 227 CB ALA A 16 80.737 10.485 -3.862 1.00 1.00 C ATOM 0 H ALA A 16 82.457 10.659 -5.637 1.00 1.00 H new ATOM 0 HA ALA A 16 81.796 8.632 -3.771 1.00 1.00 H new ATOM 0 HB1 ALA A 16 79.982 10.171 -3.141 1.00 1.00 H new ATOM 0 HB2 ALA A 16 81.523 11.037 -3.347 1.00 1.00 H new ATOM 0 HB3 ALA A 16 80.277 11.126 -4.614 1.00 1.00 H new ATOM 233 N LEU A 17 79.700 9.090 -6.286 1.00 1.00 N ATOM 234 CA LEU A 17 78.591 8.484 -7.053 1.00 1.00 C ATOM 235 C LEU A 17 79.032 7.110 -7.570 1.00 1.00 C ATOM 236 O LEU A 17 78.372 6.109 -7.306 1.00 1.00 O ATOM 237 CB LEU A 17 78.105 9.360 -8.232 1.00 1.00 C ATOM 238 CG LEU A 17 76.853 8.720 -8.905 1.00 1.00 C ATOM 239 CD1 LEU A 17 75.781 9.791 -9.177 1.00 1.00 C ATOM 240 CD2 LEU A 17 77.249 8.072 -10.239 1.00 1.00 C ATOM 0 H LEU A 17 79.994 10.010 -6.613 1.00 1.00 H new ATOM 0 HA LEU A 17 77.744 8.391 -6.374 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.862 10.360 -7.874 1.00 1.00 H new ATOM 0 HB3 LEU A 17 78.904 9.469 -8.965 1.00 1.00 H new ATOM 0 HG LEU A 17 76.451 7.966 -8.228 1.00 1.00 H new ATOM 0 HD11 LEU A 17 74.914 9.327 -9.647 1.00 1.00 H new ATOM 0 HD12 LEU A 17 75.480 10.252 -8.236 1.00 1.00 H new ATOM 0 HD13 LEU A 17 76.189 10.554 -9.841 1.00 1.00 H new ATOM 0 HD21 LEU A 17 76.369 7.627 -10.703 1.00 1.00 H new ATOM 0 HD22 LEU A 17 77.665 8.830 -10.903 1.00 1.00 H new ATOM 0 HD23 LEU A 17 77.995 7.298 -10.060 1.00 1.00 H new ATOM 252 N VAL A 18 80.162 7.067 -8.279 1.00 1.00 N ATOM 253 CA VAL A 18 80.665 5.783 -8.777 1.00 1.00 C ATOM 254 C VAL A 18 81.147 4.943 -7.589 1.00 1.00 C ATOM 255 O VAL A 18 80.671 3.830 -7.378 1.00 1.00 O ATOM 256 CB VAL A 18 81.774 5.953 -9.857 1.00 1.00 C ATOM 257 CG1 VAL A 18 81.427 7.099 -10.853 1.00 1.00 C ATOM 258 CG2 VAL A 18 83.142 6.215 -9.207 1.00 1.00 C ATOM 0 H VAL A 18 80.732 7.879 -8.516 1.00 1.00 H new ATOM 0 HA VAL A 18 79.850 5.262 -9.279 1.00 1.00 H new ATOM 0 HB VAL A 18 81.827 5.019 -10.416 1.00 1.00 H new ATOM 0 HG11 VAL A 18 82.222 7.191 -11.593 1.00 1.00 H new ATOM 0 HG12 VAL A 18 80.487 6.872 -11.356 1.00 1.00 H new ATOM 0 HG13 VAL A 18 81.329 8.038 -10.308 1.00 1.00 H new ATOM 0 HG21 VAL A 18 83.898 6.330 -9.984 1.00 1.00 H new ATOM 0 HG22 VAL A 18 83.093 7.126 -8.611 1.00 1.00 H new ATOM 0 HG23 VAL A 18 83.406 5.375 -8.565 1.00 1.00 H new ATOM 268 N GLY A 19 82.092 5.479 -6.810 1.00 1.00 N ATOM 269 CA GLY A 19 82.616 4.763 -5.648 1.00 1.00 C ATOM 270 C GLY A 19 81.494 4.420 -4.677 1.00 1.00 C ATOM 271 O GLY A 19 80.335 4.535 -5.025 1.00 1.00 O ATOM 0 H GLY A 19 82.505 6.399 -6.963 1.00 1.00 H new ATOM 0 HA2 GLY A 19 83.115 3.850 -5.972 1.00 1.00 H new ATOM 0 HA3 GLY A 19 83.365 5.375 -5.145 1.00 1.00 H new ATOM 275 N PRO A 20 81.820 3.967 -3.492 1.00 1.00 N ATOM 276 CA PRO A 20 80.807 3.556 -2.467 1.00 1.00 C ATOM 277 C PRO A 20 80.160 4.715 -1.684 1.00 1.00 C ATOM 278 O PRO A 20 79.020 4.607 -1.248 1.00 1.00 O ATOM 279 CB PRO A 20 81.603 2.643 -1.499 1.00 1.00 C ATOM 280 CG PRO A 20 83.055 2.708 -1.923 1.00 1.00 C ATOM 281 CD PRO A 20 83.188 3.806 -2.986 1.00 1.00 C ATOM 0 HA PRO A 20 79.962 3.075 -2.960 1.00 1.00 H new ATOM 0 HB2 PRO A 20 81.487 2.979 -0.469 1.00 1.00 H new ATOM 0 HB3 PRO A 20 81.234 1.618 -1.544 1.00 1.00 H new ATOM 0 HG2 PRO A 20 83.693 2.927 -1.067 1.00 1.00 H new ATOM 0 HG3 PRO A 20 83.379 1.748 -2.324 1.00 1.00 H new ATOM 0 HD2 PRO A 20 83.569 4.734 -2.558 1.00 1.00 H new ATOM 0 HD3 PRO A 20 83.877 3.514 -3.779 1.00 1.00 H new ATOM 289 N GLY A 21 80.915 5.793 -1.486 1.00 1.00 N ATOM 290 CA GLY A 21 80.413 6.928 -0.688 1.00 1.00 C ATOM 291 C GLY A 21 79.143 7.545 -1.275 1.00 1.00 C ATOM 292 O GLY A 21 78.142 7.698 -0.586 1.00 1.00 O ATOM 0 H GLY A 21 81.858 5.912 -1.855 1.00 1.00 H new ATOM 0 HA2 GLY A 21 80.212 6.591 0.329 1.00 1.00 H new ATOM 0 HA3 GLY A 21 81.187 7.692 -0.624 1.00 1.00 H new ATOM 296 N GLY A 22 79.212 7.985 -2.508 1.00 1.00 N ATOM 297 CA GLY A 22 78.042 8.673 -3.069 1.00 1.00 C ATOM 298 C GLY A 22 76.864 7.747 -2.947 1.00 1.00 C ATOM 299 O GLY A 22 75.832 8.090 -2.374 1.00 1.00 O ATOM 0 H GLY A 22 80.017 7.894 -3.128 1.00 1.00 H new ATOM 0 HA2 GLY A 22 77.853 9.604 -2.534 1.00 1.00 H new ATOM 0 HA3 GLY A 22 78.216 8.934 -4.113 1.00 1.00 H new ATOM 303 N VAL A 23 77.044 6.567 -3.472 1.00 1.00 N ATOM 304 CA VAL A 23 75.997 5.563 -3.406 1.00 1.00 C ATOM 305 C VAL A 23 75.683 5.245 -1.945 1.00 1.00 C ATOM 306 O VAL A 23 74.541 4.940 -1.617 1.00 1.00 O ATOM 307 CB VAL A 23 76.372 4.294 -4.209 1.00 1.00 C ATOM 308 CG1 VAL A 23 75.672 4.305 -5.580 1.00 1.00 C ATOM 309 CG2 VAL A 23 77.871 4.280 -4.452 1.00 1.00 C ATOM 0 H VAL A 23 77.896 6.270 -3.949 1.00 1.00 H new ATOM 0 HA VAL A 23 75.096 5.963 -3.872 1.00 1.00 H new ATOM 0 HB VAL A 23 76.061 3.418 -3.639 1.00 1.00 H new ATOM 0 HG11 VAL A 23 75.944 3.407 -6.135 1.00 1.00 H new ATOM 0 HG12 VAL A 23 74.592 4.330 -5.437 1.00 1.00 H new ATOM 0 HG13 VAL A 23 75.984 5.186 -6.141 1.00 1.00 H new ATOM 0 HG21 VAL A 23 78.140 3.388 -5.017 1.00 1.00 H new ATOM 0 HG22 VAL A 23 78.156 5.167 -5.017 1.00 1.00 H new ATOM 0 HG23 VAL A 23 78.395 4.275 -3.496 1.00 1.00 H new ATOM 319 N ALA A 24 76.691 5.322 -1.064 1.00 1.00 N ATOM 320 CA ALA A 24 76.402 5.025 0.335 1.00 1.00 C ATOM 321 C ALA A 24 75.272 5.936 0.826 1.00 1.00 C ATOM 322 O ALA A 24 74.224 5.442 1.221 1.00 1.00 O ATOM 323 CB ALA A 24 77.627 5.231 1.230 1.00 1.00 C ATOM 0 H ALA A 24 77.656 5.572 -1.281 1.00 1.00 H new ATOM 0 HA ALA A 24 76.109 3.977 0.395 1.00 1.00 H new ATOM 0 HB1 ALA A 24 77.366 4.999 2.263 1.00 1.00 H new ATOM 0 HB2 ALA A 24 78.432 4.573 0.902 1.00 1.00 H new ATOM 0 HB3 ALA A 24 77.956 6.268 1.163 1.00 1.00 H new ATOM 329 N LEU A 25 75.474 7.262 0.829 1.00 1.00 N ATOM 330 CA LEU A 25 74.437 8.166 1.320 1.00 1.00 C ATOM 331 C LEU A 25 73.179 8.154 0.450 1.00 1.00 C ATOM 332 O LEU A 25 72.067 8.146 0.976 1.00 1.00 O ATOM 333 CB LEU A 25 74.993 9.599 1.388 1.00 1.00 C ATOM 334 CG LEU A 25 76.074 9.716 2.513 1.00 1.00 C ATOM 335 CD1 LEU A 25 77.423 10.133 1.910 1.00 1.00 C ATOM 336 CD2 LEU A 25 75.655 10.773 3.544 1.00 1.00 C ATOM 0 H LEU A 25 76.326 7.719 0.504 1.00 1.00 H new ATOM 0 HA LEU A 25 74.150 7.815 2.311 1.00 1.00 H new ATOM 0 HB2 LEU A 25 75.429 9.872 0.427 1.00 1.00 H new ATOM 0 HB3 LEU A 25 74.182 10.301 1.581 1.00 1.00 H new ATOM 0 HG LEU A 25 76.168 8.744 2.996 1.00 1.00 H new ATOM 0 HD11 LEU A 25 78.167 10.211 2.703 1.00 1.00 H new ATOM 0 HD12 LEU A 25 77.743 9.386 1.184 1.00 1.00 H new ATOM 0 HD13 LEU A 25 77.317 11.098 1.415 1.00 1.00 H new ATOM 0 HD21 LEU A 25 76.416 10.845 4.321 1.00 1.00 H new ATOM 0 HD22 LEU A 25 75.548 11.739 3.051 1.00 1.00 H new ATOM 0 HD23 LEU A 25 74.704 10.487 3.993 1.00 1.00 H new ATOM 348 N VAL A 26 73.330 8.205 -0.872 1.00 1.00 N ATOM 349 CA VAL A 26 72.139 8.253 -1.716 1.00 1.00 C ATOM 350 C VAL A 26 71.281 7.008 -1.490 1.00 1.00 C ATOM 351 O VAL A 26 70.112 7.120 -1.128 1.00 1.00 O ATOM 352 CB VAL A 26 72.562 8.330 -3.188 1.00 1.00 C ATOM 353 CG1 VAL A 26 71.331 8.290 -4.095 1.00 1.00 C ATOM 354 CG2 VAL A 26 73.321 9.636 -3.439 1.00 1.00 C ATOM 0 H VAL A 26 74.223 8.214 -1.365 1.00 1.00 H new ATOM 0 HA VAL A 26 71.553 9.135 -1.457 1.00 1.00 H new ATOM 0 HB VAL A 26 73.204 7.478 -3.411 1.00 1.00 H new ATOM 0 HG11 VAL A 26 71.645 8.345 -5.137 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.787 7.360 -3.929 1.00 1.00 H new ATOM 0 HG13 VAL A 26 70.683 9.136 -3.866 1.00 1.00 H new ATOM 0 HG21 VAL A 26 73.620 9.688 -4.486 1.00 1.00 H new ATOM 0 HG22 VAL A 26 72.676 10.483 -3.204 1.00 1.00 H new ATOM 0 HG23 VAL A 26 74.208 9.669 -2.806 1.00 1.00 H new ATOM 364 N VAL A 27 71.844 5.825 -1.731 1.00 1.00 N ATOM 365 CA VAL A 27 71.091 4.578 -1.578 1.00 1.00 C ATOM 366 C VAL A 27 70.574 4.394 -0.151 1.00 1.00 C ATOM 367 O VAL A 27 69.506 3.831 0.066 1.00 1.00 O ATOM 368 CB VAL A 27 71.983 3.374 -1.982 1.00 1.00 C ATOM 369 CG1 VAL A 27 72.844 2.891 -0.797 1.00 1.00 C ATOM 370 CG2 VAL A 27 71.107 2.211 -2.467 1.00 1.00 C ATOM 0 H VAL A 27 72.811 5.702 -2.031 1.00 1.00 H new ATOM 0 HA VAL A 27 70.223 4.630 -2.235 1.00 1.00 H new ATOM 0 HB VAL A 27 72.643 3.706 -2.783 1.00 1.00 H new ATOM 0 HG11 VAL A 27 73.457 2.047 -1.113 1.00 1.00 H new ATOM 0 HG12 VAL A 27 73.489 3.703 -0.461 1.00 1.00 H new ATOM 0 HG13 VAL A 27 72.195 2.581 0.022 1.00 1.00 H new ATOM 0 HG21 VAL A 27 71.741 1.370 -2.748 1.00 1.00 H new ATOM 0 HG22 VAL A 27 70.433 1.905 -1.667 1.00 1.00 H new ATOM 0 HG23 VAL A 27 70.524 2.530 -3.331 1.00 1.00 H new ATOM 380 N LYS A 28 71.360 4.840 0.804 1.00 1.00 N ATOM 381 CA LYS A 28 70.983 4.685 2.203 1.00 1.00 C ATOM 382 C LYS A 28 69.758 5.534 2.483 1.00 1.00 C ATOM 383 O LYS A 28 68.753 5.069 3.024 1.00 1.00 O ATOM 384 CB LYS A 28 72.170 5.100 3.087 1.00 1.00 C ATOM 385 CG LYS A 28 71.803 5.000 4.576 1.00 1.00 C ATOM 386 CD LYS A 28 73.065 5.126 5.458 1.00 1.00 C ATOM 387 CE LYS A 28 73.505 6.593 5.584 1.00 1.00 C ATOM 388 NZ LYS A 28 74.884 6.651 6.157 1.00 1.00 N ATOM 0 H LYS A 28 72.253 5.307 0.648 1.00 1.00 H new ATOM 0 HA LYS A 28 70.736 3.647 2.425 1.00 1.00 H new ATOM 0 HB2 LYS A 28 73.027 4.461 2.876 1.00 1.00 H new ATOM 0 HB3 LYS A 28 72.467 6.121 2.849 1.00 1.00 H new ATOM 0 HG2 LYS A 28 71.093 5.785 4.834 1.00 1.00 H new ATOM 0 HG3 LYS A 28 71.310 4.048 4.771 1.00 1.00 H new ATOM 0 HD2 LYS A 28 72.863 4.717 6.448 1.00 1.00 H new ATOM 0 HD3 LYS A 28 73.874 4.536 5.028 1.00 1.00 H new ATOM 0 HE2 LYS A 28 73.485 7.075 4.607 1.00 1.00 H new ATOM 0 HE3 LYS A 28 72.811 7.139 6.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 75.183 7.643 6.243 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 74.888 6.206 7.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 75.542 6.144 5.531 1.00 1.00 H new ATOM 402 N VAL A 29 69.901 6.792 2.144 1.00 1.00 N ATOM 403 CA VAL A 29 68.842 7.769 2.393 1.00 1.00 C ATOM 404 C VAL A 29 67.586 7.451 1.589 1.00 1.00 C ATOM 405 O VAL A 29 66.483 7.456 2.137 1.00 1.00 O ATOM 406 CB VAL A 29 69.320 9.189 2.086 1.00 1.00 C ATOM 407 CG1 VAL A 29 68.160 10.170 2.289 1.00 1.00 C ATOM 408 CG2 VAL A 29 70.456 9.560 3.042 1.00 1.00 C ATOM 0 H VAL A 29 70.734 7.173 1.696 1.00 1.00 H new ATOM 0 HA VAL A 29 68.591 7.708 3.452 1.00 1.00 H new ATOM 0 HB VAL A 29 69.672 9.238 1.056 1.00 1.00 H new ATOM 0 HG11 VAL A 29 68.498 11.183 2.071 1.00 1.00 H new ATOM 0 HG12 VAL A 29 67.341 9.909 1.619 1.00 1.00 H new ATOM 0 HG13 VAL A 29 67.815 10.117 3.322 1.00 1.00 H new ATOM 0 HG21 VAL A 29 70.798 10.572 2.825 1.00 1.00 H new ATOM 0 HG22 VAL A 29 70.097 9.511 4.070 1.00 1.00 H new ATOM 0 HG23 VAL A 29 71.283 8.862 2.913 1.00 1.00 H new ATOM 418 N CYS A 30 67.741 7.195 0.290 1.00 1.00 N ATOM 419 CA CYS A 30 66.566 6.903 -0.512 1.00 1.00 C ATOM 420 C CYS A 30 65.937 5.609 0.002 1.00 1.00 C ATOM 421 O CYS A 30 64.761 5.583 0.361 1.00 1.00 O ATOM 422 CB CYS A 30 66.953 6.822 -2.021 1.00 1.00 C ATOM 423 SG CYS A 30 66.749 5.150 -2.710 1.00 1.00 S ATOM 0 H CYS A 30 68.631 7.184 -0.208 1.00 1.00 H new ATOM 0 HA CYS A 30 65.828 7.700 -0.422 1.00 1.00 H new ATOM 0 HB2 CYS A 30 66.338 7.521 -2.588 1.00 1.00 H new ATOM 0 HB3 CYS A 30 67.989 7.137 -2.143 1.00 1.00 H new ATOM 428 N ALA A 31 66.707 4.529 -0.012 1.00 1.00 N ATOM 429 CA ALA A 31 66.216 3.217 0.401 1.00 1.00 C ATOM 430 C ALA A 31 65.775 3.195 1.850 1.00 1.00 C ATOM 431 O ALA A 31 64.659 2.779 2.160 1.00 1.00 O ATOM 432 CB ALA A 31 67.335 2.189 0.203 1.00 1.00 C ATOM 0 H ALA A 31 67.683 4.535 -0.307 1.00 1.00 H new ATOM 0 HA ALA A 31 65.346 2.978 -0.210 1.00 1.00 H new ATOM 0 HB1 ALA A 31 66.982 1.204 0.508 1.00 1.00 H new ATOM 0 HB2 ALA A 31 67.623 2.162 -0.848 1.00 1.00 H new ATOM 0 HB3 ALA A 31 68.197 2.469 0.808 1.00 1.00 H new ATOM 438 N GLY A 32 66.659 3.621 2.738 1.00 1.00 N ATOM 439 CA GLY A 32 66.353 3.621 4.157 1.00 1.00 C ATOM 440 C GLY A 32 66.691 2.274 4.779 1.00 1.00 C ATOM 441 O GLY A 32 65.798 1.478 5.074 1.00 1.00 O ATOM 0 H GLY A 32 67.588 3.969 2.502 1.00 1.00 H new ATOM 0 HA2 GLY A 32 66.917 4.409 4.656 1.00 1.00 H new ATOM 0 HA3 GLY A 32 65.296 3.841 4.306 1.00 1.00 H new ATOM 445 N LEU A 33 67.996 2.021 4.963 1.00 1.00 N ATOM 446 CA LEU A 33 68.477 0.765 5.549 1.00 1.00 C ATOM 447 C LEU A 33 68.627 -0.306 4.443 1.00 1.00 C ATOM 448 O LEU A 33 67.628 -0.859 3.985 1.00 1.00 O ATOM 449 CB LEU A 33 67.504 0.289 6.657 1.00 1.00 C ATOM 450 CG LEU A 33 68.266 -0.340 7.831 1.00 1.00 C ATOM 451 CD1 LEU A 33 67.270 -0.700 8.928 1.00 1.00 C ATOM 452 CD2 LEU A 33 69.002 -1.609 7.384 1.00 1.00 C ATOM 0 H LEU A 33 68.738 2.674 4.712 1.00 1.00 H new ATOM 0 HA LEU A 33 69.454 0.928 6.003 1.00 1.00 H new ATOM 0 HB2 LEU A 33 66.914 1.133 7.014 1.00 1.00 H new ATOM 0 HB3 LEU A 33 66.804 -0.437 6.243 1.00 1.00 H new ATOM 0 HG LEU A 33 69.000 0.376 8.200 1.00 1.00 H new ATOM 0 HD11 LEU A 33 67.800 -1.148 9.768 1.00 1.00 H new ATOM 0 HD12 LEU A 33 66.756 0.201 9.262 1.00 1.00 H new ATOM 0 HD13 LEU A 33 66.541 -1.411 8.539 1.00 1.00 H new ATOM 0 HD21 LEU A 33 69.535 -2.038 8.232 1.00 1.00 H new ATOM 0 HD22 LEU A 33 68.281 -2.333 7.005 1.00 1.00 H new ATOM 0 HD23 LEU A 33 69.713 -1.359 6.597 1.00 1.00 H new ATOM 464 N PRO A 34 69.840 -0.582 3.968 1.00 1.00 N ATOM 465 CA PRO A 34 70.057 -1.576 2.864 1.00 1.00 C ATOM 466 C PRO A 34 69.841 -3.032 3.284 1.00 1.00 C ATOM 467 O PRO A 34 69.543 -3.879 2.442 1.00 1.00 O ATOM 468 CB PRO A 34 71.512 -1.331 2.427 1.00 1.00 C ATOM 469 CG PRO A 34 72.194 -0.753 3.626 1.00 1.00 C ATOM 470 CD PRO A 34 71.124 0.006 4.418 1.00 1.00 C ATOM 0 HA PRO A 34 69.330 -1.433 2.064 1.00 1.00 H new ATOM 0 HB2 PRO A 34 71.989 -2.259 2.113 1.00 1.00 H new ATOM 0 HB3 PRO A 34 71.558 -0.646 1.580 1.00 1.00 H new ATOM 0 HG2 PRO A 34 72.640 -1.540 4.234 1.00 1.00 H new ATOM 0 HG3 PRO A 34 73.001 -0.084 3.327 1.00 1.00 H new ATOM 0 HD2 PRO A 34 71.263 -0.119 5.492 1.00 1.00 H new ATOM 0 HD3 PRO A 34 71.164 1.076 4.214 1.00 1.00 H new ATOM 478 N GLY A 35 70.018 -3.338 4.565 1.00 1.00 N ATOM 479 CA GLY A 35 69.846 -4.730 4.969 1.00 1.00 C ATOM 480 C GLY A 35 68.425 -5.167 4.639 1.00 1.00 C ATOM 481 O GLY A 35 68.223 -6.084 3.844 1.00 1.00 O ATOM 0 H GLY A 35 70.267 -2.683 5.306 1.00 1.00 H new ATOM 0 HA2 GLY A 35 70.565 -5.364 4.451 1.00 1.00 H new ATOM 0 HA3 GLY A 35 70.036 -4.839 6.037 1.00 1.00 H new ATOM 485 N VAL A 36 67.437 -4.482 5.214 1.00 1.00 N ATOM 486 CA VAL A 36 66.039 -4.791 4.919 1.00 1.00 C ATOM 487 C VAL A 36 65.627 -3.931 3.747 1.00 1.00 C ATOM 488 O VAL A 36 66.305 -2.944 3.477 1.00 1.00 O ATOM 489 CB VAL A 36 65.121 -4.509 6.124 1.00 1.00 C ATOM 490 CG1 VAL A 36 65.066 -3.007 6.401 1.00 1.00 C ATOM 491 CG2 VAL A 36 63.709 -5.020 5.813 1.00 1.00 C ATOM 0 H VAL A 36 67.575 -3.720 5.878 1.00 1.00 H new ATOM 0 HA VAL A 36 65.942 -5.852 4.690 1.00 1.00 H new ATOM 0 HB VAL A 36 65.516 -5.019 7.003 1.00 1.00 H new ATOM 0 HG11 VAL A 36 64.415 -2.818 7.254 1.00 1.00 H new ATOM 0 HG12 VAL A 36 66.069 -2.641 6.622 1.00 1.00 H new ATOM 0 HG13 VAL A 36 64.675 -2.490 5.525 1.00 1.00 H new ATOM 0 HG21 VAL A 36 63.055 -4.823 6.663 1.00 1.00 H new ATOM 0 HG22 VAL A 36 63.323 -4.508 4.932 1.00 1.00 H new ATOM 0 HG23 VAL A 36 63.744 -6.093 5.623 1.00 1.00 H new ATOM 501 N ILE A 37 64.526 -4.311 3.080 1.00 1.00 N ATOM 502 CA ILE A 37 63.971 -3.594 1.921 1.00 1.00 C ATOM 503 C ILE A 37 63.945 -4.507 0.707 1.00 1.00 C ATOM 504 O ILE A 37 64.984 -4.885 0.169 1.00 1.00 O ATOM 505 CB ILE A 37 64.734 -2.312 1.545 1.00 1.00 C ATOM 506 CG1 ILE A 37 63.891 -1.526 0.527 1.00 1.00 C ATOM 507 CG2 ILE A 37 66.109 -2.645 0.913 1.00 1.00 C ATOM 508 CD1 ILE A 37 64.582 -0.200 0.199 1.00 1.00 C ATOM 0 H ILE A 37 63.987 -5.139 3.335 1.00 1.00 H new ATOM 0 HA ILE A 37 62.967 -3.295 2.221 1.00 1.00 H new ATOM 0 HB ILE A 37 64.905 -1.725 2.447 1.00 1.00 H new ATOM 0 HG12 ILE A 37 63.760 -2.113 -0.382 1.00 1.00 H new ATOM 0 HG13 ILE A 37 62.896 -1.339 0.932 1.00 1.00 H new ATOM 0 HG21 ILE A 37 66.626 -1.720 0.657 1.00 1.00 H new ATOM 0 HG22 ILE A 37 66.709 -3.211 1.625 1.00 1.00 H new ATOM 0 HG23 ILE A 37 65.961 -3.239 0.011 1.00 1.00 H new ATOM 0 HD11 ILE A 37 63.982 0.354 -0.523 1.00 1.00 H new ATOM 0 HD12 ILE A 37 64.690 0.389 1.110 1.00 1.00 H new ATOM 0 HD13 ILE A 37 65.567 -0.398 -0.224 1.00 1.00 H new ATOM 520 N HIS A 38 62.749 -4.847 0.259 1.00 1.00 N ATOM 521 CA HIS A 38 62.597 -5.698 -0.913 1.00 1.00 C ATOM 522 C HIS A 38 61.434 -5.189 -1.741 1.00 1.00 C ATOM 523 O HIS A 38 60.376 -4.868 -1.199 1.00 1.00 O ATOM 524 CB HIS A 38 62.339 -7.143 -0.485 1.00 1.00 C ATOM 525 CG HIS A 38 63.301 -7.529 0.605 1.00 1.00 C ATOM 526 ND1 HIS A 38 64.465 -8.238 0.346 1.00 1.00 N ATOM 527 CD2 HIS A 38 63.284 -7.321 1.962 1.00 1.00 C ATOM 528 CE1 HIS A 38 65.092 -8.432 1.521 1.00 1.00 C ATOM 529 NE2 HIS A 38 64.414 -7.894 2.538 1.00 1.00 N ATOM 0 H HIS A 38 61.871 -4.550 0.685 1.00 1.00 H new ATOM 0 HA HIS A 38 63.512 -5.671 -1.505 1.00 1.00 H new ATOM 0 HB2 HIS A 38 61.313 -7.250 -0.133 1.00 1.00 H new ATOM 0 HB3 HIS A 38 62.454 -7.811 -1.338 1.00 1.00 H new ATOM 0 HD1 HIS A 38 64.787 -8.555 -0.569 1.00 1.00 H new ATOM 0 HD2 HIS A 38 62.511 -6.793 2.501 1.00 1.00 H new ATOM 0 HE1 HIS A 38 66.029 -8.958 1.628 1.00 1.00 H new ATOM 537 N THR A 39 61.624 -5.115 -3.056 1.00 1.00 N ATOM 538 CA THR A 39 60.571 -4.645 -3.951 1.00 1.00 C ATOM 539 C THR A 39 60.102 -5.806 -4.826 1.00 1.00 C ATOM 540 O THR A 39 60.922 -6.609 -5.275 1.00 1.00 O ATOM 541 CB THR A 39 61.100 -3.511 -4.833 1.00 1.00 C ATOM 542 OG1 THR A 39 62.075 -4.022 -5.731 1.00 1.00 O ATOM 543 CG2 THR A 39 61.726 -2.429 -3.950 1.00 1.00 C ATOM 0 H THR A 39 62.493 -5.373 -3.523 1.00 1.00 H new ATOM 0 HA THR A 39 59.735 -4.269 -3.361 1.00 1.00 H new ATOM 0 HB THR A 39 60.278 -3.080 -5.404 1.00 1.00 H new ATOM 0 HG1 THR A 39 62.412 -3.296 -6.296 1.00 1.00 H new ATOM 0 HG21 THR A 39 62.103 -1.621 -4.577 1.00 1.00 H new ATOM 0 HG22 THR A 39 60.973 -2.037 -3.266 1.00 1.00 H new ATOM 0 HG23 THR A 39 62.548 -2.858 -3.377 1.00 1.00 H new ATOM 551 N PRO A 40 58.820 -5.932 -5.075 1.00 1.00 N ATOM 552 CA PRO A 40 58.289 -7.047 -5.910 1.00 1.00 C ATOM 553 C PRO A 40 58.654 -6.883 -7.382 1.00 1.00 C ATOM 554 O PRO A 40 59.655 -7.412 -7.858 1.00 1.00 O ATOM 555 CB PRO A 40 56.767 -6.959 -5.703 1.00 1.00 C ATOM 556 CG PRO A 40 56.505 -5.524 -5.364 1.00 1.00 C ATOM 557 CD PRO A 40 57.742 -5.040 -4.605 1.00 1.00 C ATOM 0 HA PRO A 40 58.706 -8.013 -5.624 1.00 1.00 H new ATOM 0 HB2 PRO A 40 56.228 -7.257 -6.603 1.00 1.00 H new ATOM 0 HB3 PRO A 40 56.439 -7.620 -4.901 1.00 1.00 H new ATOM 0 HG2 PRO A 40 56.344 -4.933 -6.265 1.00 1.00 H new ATOM 0 HG3 PRO A 40 55.608 -5.424 -4.753 1.00 1.00 H new ATOM 0 HD2 PRO A 40 57.963 -3.996 -4.826 1.00 1.00 H new ATOM 0 HD3 PRO A 40 57.603 -5.115 -3.526 1.00 1.00 H new ATOM 565 N ALA A 41 57.809 -6.159 -8.082 1.00 1.00 N ATOM 566 CA ALA A 41 57.974 -5.909 -9.508 1.00 1.00 C ATOM 567 C ALA A 41 59.196 -5.059 -9.761 1.00 1.00 C ATOM 568 O ALA A 41 59.336 -3.970 -9.203 1.00 1.00 O ATOM 569 CB ALA A 41 56.734 -5.188 -10.048 1.00 1.00 C ATOM 0 H ALA A 41 56.980 -5.721 -7.680 1.00 1.00 H new ATOM 0 HA ALA A 41 58.099 -6.865 -10.017 1.00 1.00 H new ATOM 0 HB1 ALA A 41 56.858 -5.001 -11.115 1.00 1.00 H new ATOM 0 HB2 ALA A 41 55.853 -5.810 -9.888 1.00 1.00 H new ATOM 0 HB3 ALA A 41 56.608 -4.240 -9.526 1.00 1.00 H new ATOM 575 N ARG A 42 60.075 -5.563 -10.607 1.00 1.00 N ATOM 576 CA ARG A 42 61.286 -4.847 -10.936 1.00 1.00 C ATOM 577 C ARG A 42 61.996 -5.539 -12.094 1.00 1.00 C ATOM 578 O ARG A 42 61.650 -6.661 -12.471 1.00 1.00 O ATOM 579 CB ARG A 42 62.194 -4.797 -9.703 1.00 1.00 C ATOM 580 CG ARG A 42 62.763 -6.204 -9.399 1.00 1.00 C ATOM 581 CD ARG A 42 62.938 -6.416 -7.876 1.00 1.00 C ATOM 582 NE ARG A 42 64.152 -7.181 -7.613 1.00 1.00 N ATOM 583 CZ ARG A 42 64.276 -7.947 -6.532 1.00 1.00 C ATOM 584 NH1 ARG A 42 63.259 -8.131 -5.732 1.00 1.00 N ATOM 585 NH2 ARG A 42 65.414 -8.535 -6.281 1.00 1.00 N ATOM 0 H ARG A 42 59.971 -6.463 -11.076 1.00 1.00 H new ATOM 0 HA ARG A 42 61.041 -3.829 -11.239 1.00 1.00 H new ATOM 0 HB2 ARG A 42 63.011 -4.096 -9.872 1.00 1.00 H new ATOM 0 HB3 ARG A 42 61.632 -4.431 -8.844 1.00 1.00 H new ATOM 0 HG2 ARG A 42 62.094 -6.965 -9.801 1.00 1.00 H new ATOM 0 HG3 ARG A 42 63.723 -6.327 -9.899 1.00 1.00 H new ATOM 0 HD2 ARG A 42 62.990 -5.452 -7.370 1.00 1.00 H new ATOM 0 HD3 ARG A 42 62.073 -6.942 -7.472 1.00 1.00 H new ATOM 0 HE ARG A 42 64.926 -7.127 -8.275 1.00 1.00 H new ATOM 0 HH11 ARG A 42 62.364 -7.686 -5.935 1.00 1.00 H new ATOM 0 HH12 ARG A 42 63.361 -8.719 -4.905 1.00 1.00 H new ATOM 0 HH21 ARG A 42 66.205 -8.407 -6.913 1.00 1.00 H new ATOM 0 HH22 ARG A 42 65.513 -9.123 -5.453 1.00 1.00 H new ATOM 599 N ARG A 43 62.982 -4.865 -12.649 1.00 1.00 N ATOM 600 CA ARG A 43 63.731 -5.437 -13.763 1.00 1.00 C ATOM 601 C ARG A 43 64.468 -6.709 -13.315 1.00 1.00 C ATOM 602 O ARG A 43 65.469 -7.097 -13.917 1.00 1.00 O ATOM 603 CB ARG A 43 64.726 -4.397 -14.338 1.00 1.00 C ATOM 604 CG ARG A 43 64.461 -4.153 -15.836 1.00 1.00 C ATOM 605 CD ARG A 43 64.815 -5.412 -16.638 1.00 1.00 C ATOM 606 NE ARG A 43 64.959 -5.090 -18.050 1.00 1.00 N ATOM 607 CZ ARG A 43 65.467 -5.975 -18.898 1.00 1.00 C ATOM 608 NH1 ARG A 43 65.826 -7.151 -18.468 1.00 1.00 N ATOM 609 NH2 ARG A 43 65.605 -5.669 -20.159 1.00 1.00 N ATOM 0 H ARG A 43 63.285 -3.935 -12.358 1.00 1.00 H new ATOM 0 HA ARG A 43 63.029 -5.708 -14.552 1.00 1.00 H new ATOM 0 HB2 ARG A 43 64.634 -3.459 -13.791 1.00 1.00 H new ATOM 0 HB3 ARG A 43 65.748 -4.749 -14.198 1.00 1.00 H new ATOM 0 HG2 ARG A 43 63.414 -3.894 -15.992 1.00 1.00 H new ATOM 0 HG3 ARG A 43 65.054 -3.308 -16.187 1.00 1.00 H new ATOM 0 HD2 ARG A 43 65.742 -5.843 -16.260 1.00 1.00 H new ATOM 0 HD3 ARG A 43 64.037 -6.165 -16.508 1.00 1.00 H new ATOM 0 HE ARG A 43 64.666 -4.174 -18.391 1.00 1.00 H new ATOM 0 HH11 ARG A 43 65.716 -7.389 -17.482 1.00 1.00 H new ATOM 0 HH12 ARG A 43 66.217 -7.834 -19.117 1.00 1.00 H new ATOM 0 HH21 ARG A 43 65.322 -4.748 -20.494 1.00 1.00 H new ATOM 0 HH22 ARG A 43 65.996 -6.351 -20.809 1.00 1.00 H new ATOM 623 N GLY A 44 63.959 -7.362 -12.270 1.00 1.00 N ATOM 624 CA GLY A 44 64.560 -8.590 -11.757 1.00 1.00 C ATOM 625 C GLY A 44 65.646 -8.271 -10.744 1.00 1.00 C ATOM 626 O GLY A 44 65.907 -9.059 -9.839 1.00 1.00 O ATOM 0 H GLY A 44 63.129 -7.058 -11.762 1.00 1.00 H new ATOM 0 HA2 GLY A 44 63.793 -9.210 -11.293 1.00 1.00 H new ATOM 0 HA3 GLY A 44 64.981 -9.167 -12.580 1.00 1.00 H new ATOM 630 N PHE A 45 66.219 -7.080 -10.902 1.00 1.00 N ATOM 631 CA PHE A 45 67.266 -6.580 -10.004 1.00 1.00 C ATOM 632 C PHE A 45 67.510 -5.080 -10.236 1.00 1.00 C ATOM 633 O PHE A 45 66.946 -4.511 -11.151 1.00 1.00 O ATOM 634 CB PHE A 45 68.578 -7.352 -10.224 1.00 1.00 C ATOM 635 CG PHE A 45 68.383 -8.827 -9.924 1.00 1.00 C ATOM 636 CD1 PHE A 45 68.172 -9.253 -8.607 1.00 1.00 C ATOM 637 CD2 PHE A 45 68.402 -9.767 -10.964 1.00 1.00 C ATOM 638 CE1 PHE A 45 67.978 -10.614 -8.330 1.00 1.00 C ATOM 639 CE2 PHE A 45 68.211 -11.127 -10.687 1.00 1.00 C ATOM 640 CZ PHE A 45 67.999 -11.550 -9.372 1.00 1.00 C ATOM 0 H PHE A 45 65.974 -6.434 -11.652 1.00 1.00 H new ATOM 0 HA PHE A 45 66.929 -6.731 -8.979 1.00 1.00 H new ATOM 0 HB2 PHE A 45 68.913 -7.225 -11.253 1.00 1.00 H new ATOM 0 HB3 PHE A 45 69.359 -6.944 -9.582 1.00 1.00 H new ATOM 0 HD1 PHE A 45 68.159 -8.532 -7.803 1.00 1.00 H new ATOM 0 HD2 PHE A 45 68.564 -9.442 -11.981 1.00 1.00 H new ATOM 0 HE1 PHE A 45 67.812 -10.940 -7.314 1.00 1.00 H new ATOM 0 HE2 PHE A 45 68.228 -11.849 -11.490 1.00 1.00 H new ATOM 0 HZ PHE A 45 67.851 -12.598 -9.159 1.00 1.00 H new ATOM 650 N PHE A 46 68.381 -4.505 -9.390 1.00 1.00 N ATOM 651 CA PHE A 46 68.803 -3.075 -9.417 1.00 1.00 C ATOM 652 C PHE A 46 68.728 -2.493 -7.997 1.00 1.00 C ATOM 653 O PHE A 46 67.697 -1.932 -7.647 1.00 1.00 O ATOM 654 CB PHE A 46 67.938 -2.152 -10.349 1.00 1.00 C ATOM 655 CG PHE A 46 68.628 -1.888 -11.679 1.00 1.00 C ATOM 656 CD1 PHE A 46 69.698 -0.990 -11.706 1.00 1.00 C ATOM 657 CD2 PHE A 46 68.197 -2.491 -12.876 1.00 1.00 C ATOM 658 CE1 PHE A 46 70.343 -0.695 -12.907 1.00 1.00 C ATOM 659 CE2 PHE A 46 68.850 -2.197 -14.081 1.00 1.00 C ATOM 660 CZ PHE A 46 69.924 -1.300 -14.095 1.00 1.00 C ATOM 0 H PHE A 46 68.831 -5.031 -8.641 1.00 1.00 H new ATOM 0 HA PHE A 46 69.817 -3.083 -9.818 1.00 1.00 H new ATOM 0 HB2 PHE A 46 66.970 -2.621 -10.528 1.00 1.00 H new ATOM 0 HB3 PHE A 46 67.745 -1.205 -9.845 1.00 1.00 H new ATOM 0 HD1 PHE A 46 70.028 -0.521 -10.791 1.00 1.00 H new ATOM 0 HD2 PHE A 46 67.365 -3.179 -12.866 1.00 1.00 H new ATOM 0 HE1 PHE A 46 71.168 0.002 -12.919 1.00 1.00 H new ATOM 0 HE2 PHE A 46 68.524 -2.663 -14.999 1.00 1.00 H new ATOM 0 HZ PHE A 46 70.429 -1.075 -15.023 1.00 1.00 H new ATOM 670 N ARG A 47 69.827 -2.610 -7.227 1.00 1.00 N ATOM 671 CA ARG A 47 69.941 -2.080 -5.840 1.00 1.00 C ATOM 672 C ARG A 47 70.335 -3.190 -4.866 1.00 1.00 C ATOM 673 O ARG A 47 69.899 -4.337 -5.000 1.00 1.00 O ATOM 674 CB ARG A 47 68.663 -1.384 -5.322 1.00 1.00 C ATOM 675 CG ARG A 47 68.508 0.007 -5.982 1.00 1.00 C ATOM 676 CD ARG A 47 69.317 1.066 -5.204 1.00 1.00 C ATOM 677 NE ARG A 47 69.303 2.351 -5.913 1.00 1.00 N ATOM 678 CZ ARG A 47 70.366 2.811 -6.589 1.00 1.00 C ATOM 679 NH1 ARG A 47 71.460 2.098 -6.692 1.00 1.00 N ATOM 680 NH2 ARG A 47 70.306 3.984 -7.158 1.00 1.00 N ATOM 0 H ARG A 47 70.674 -3.079 -7.547 1.00 1.00 H new ATOM 0 HA ARG A 47 70.720 -1.319 -5.890 1.00 1.00 H new ATOM 0 HB2 ARG A 47 67.790 -1.999 -5.543 1.00 1.00 H new ATOM 0 HB3 ARG A 47 68.712 -1.277 -4.238 1.00 1.00 H new ATOM 0 HG2 ARG A 47 68.851 -0.034 -7.016 1.00 1.00 H new ATOM 0 HG3 ARG A 47 67.456 0.290 -6.006 1.00 1.00 H new ATOM 0 HD2 ARG A 47 68.897 1.191 -4.206 1.00 1.00 H new ATOM 0 HD3 ARG A 47 70.345 0.726 -5.077 1.00 1.00 H new ATOM 0 HE ARG A 47 68.453 2.915 -5.891 1.00 1.00 H new ATOM 0 HH11 ARG A 47 71.512 1.178 -6.254 1.00 1.00 H new ATOM 0 HH12 ARG A 47 72.260 2.463 -7.210 1.00 1.00 H new ATOM 0 HH21 ARG A 47 69.456 4.543 -7.086 1.00 1.00 H new ATOM 0 HH22 ARG A 47 71.110 4.342 -7.674 1.00 1.00 H new ATOM 694 N CYS A 48 71.181 -2.835 -3.902 1.00 1.00 N ATOM 695 CA CYS A 48 71.657 -3.803 -2.919 1.00 1.00 C ATOM 696 C CYS A 48 72.583 -4.789 -3.625 1.00 1.00 C ATOM 697 O CYS A 48 72.235 -5.948 -3.825 1.00 1.00 O ATOM 698 CB CYS A 48 70.468 -4.534 -2.279 1.00 1.00 C ATOM 699 SG CYS A 48 70.899 -5.085 -0.606 1.00 1.00 S ATOM 0 H CYS A 48 71.548 -1.891 -3.781 1.00 1.00 H new ATOM 0 HA CYS A 48 72.203 -3.296 -2.124 1.00 1.00 H new ATOM 0 HB2 CYS A 48 69.603 -3.872 -2.240 1.00 1.00 H new ATOM 0 HB3 CYS A 48 70.186 -5.391 -2.891 1.00 1.00 H new ATOM 704 N ASN A 49 73.767 -4.317 -4.014 1.00 1.00 N ATOM 705 CA ASN A 49 74.733 -5.157 -4.720 1.00 1.00 C ATOM 706 C ASN A 49 76.073 -5.155 -3.996 1.00 1.00 C ATOM 707 O ASN A 49 76.417 -4.181 -3.322 1.00 1.00 O ATOM 708 CB ASN A 49 74.927 -4.601 -6.129 1.00 1.00 C ATOM 709 CG ASN A 49 75.082 -3.089 -6.053 1.00 1.00 C ATOM 710 OD1 ASN A 49 74.019 -2.337 -6.021 1.00 1.00 O flip ATOM 711 ND2 ASN A 49 76.203 -2.580 -6.017 1.00 1.00 N flip ATOM 0 H ASN A 49 74.080 -3.360 -3.853 1.00 1.00 H new ATOM 0 HA ASN A 49 74.357 -6.179 -4.759 1.00 1.00 H new ATOM 0 HB2 ASN A 49 75.808 -5.046 -6.590 1.00 1.00 H new ATOM 0 HB3 ASN A 49 74.074 -4.860 -6.756 1.00 1.00 H new ATOM 0 HD21 ASN A 49 77.033 -3.172 -6.042 1.00 1.00 H new ATOM 0 HD22 ASN A 49 76.301 -1.566 -5.962 1.00 1.00 H new ATOM 718 N PRO A 50 76.849 -6.203 -4.130 1.00 1.00 N ATOM 719 CA PRO A 50 78.187 -6.283 -3.481 1.00 1.00 C ATOM 720 C PRO A 50 79.188 -5.373 -4.188 1.00 1.00 C ATOM 721 O PRO A 50 80.233 -5.827 -4.644 1.00 1.00 O ATOM 722 CB PRO A 50 78.568 -7.758 -3.639 1.00 1.00 C ATOM 723 CG PRO A 50 77.885 -8.171 -4.898 1.00 1.00 C ATOM 724 CD PRO A 50 76.553 -7.429 -4.900 1.00 1.00 C ATOM 0 HA PRO A 50 78.181 -5.958 -2.441 1.00 1.00 H new ATOM 0 HB2 PRO A 50 79.648 -7.886 -3.710 1.00 1.00 H new ATOM 0 HB3 PRO A 50 78.231 -8.351 -2.789 1.00 1.00 H new ATOM 0 HG2 PRO A 50 78.481 -7.910 -5.772 1.00 1.00 H new ATOM 0 HG3 PRO A 50 77.733 -9.250 -4.927 1.00 1.00 H new ATOM 0 HD2 PRO A 50 76.222 -7.199 -5.913 1.00 1.00 H new ATOM 0 HD3 PRO A 50 75.763 -8.017 -4.433 1.00 1.00 H new ATOM 732 N GLU A 51 78.846 -4.088 -4.287 1.00 1.00 N ATOM 733 CA GLU A 51 79.705 -3.109 -4.945 1.00 1.00 C ATOM 734 C GLU A 51 79.783 -3.369 -6.449 1.00 1.00 C ATOM 735 O GLU A 51 80.413 -2.609 -7.183 1.00 1.00 O ATOM 736 CB GLU A 51 81.111 -3.121 -4.334 1.00 1.00 C ATOM 737 CG GLU A 51 81.002 -3.051 -2.809 1.00 1.00 C ATOM 738 CD GLU A 51 80.287 -1.769 -2.399 1.00 1.00 C ATOM 739 OE1 GLU A 51 80.700 -0.714 -2.850 1.00 1.00 O ATOM 740 OE2 GLU A 51 79.336 -1.862 -1.639 1.00 1.00 O ATOM 0 H GLU A 51 77.977 -3.702 -3.918 1.00 1.00 H new ATOM 0 HA GLU A 51 79.265 -2.124 -4.789 1.00 1.00 H new ATOM 0 HB2 GLU A 51 81.641 -4.026 -4.631 1.00 1.00 H new ATOM 0 HB3 GLU A 51 81.689 -2.276 -4.708 1.00 1.00 H new ATOM 0 HG2 GLU A 51 80.457 -3.917 -2.434 1.00 1.00 H new ATOM 0 HG3 GLU A 51 81.996 -3.082 -2.363 1.00 1.00 H new ATOM 747 N ARG A 52 79.128 -4.435 -6.909 1.00 1.00 N ATOM 748 CA ARG A 52 79.127 -4.756 -8.339 1.00 1.00 C ATOM 749 C ARG A 52 78.151 -3.852 -9.092 1.00 1.00 C ATOM 750 O ARG A 52 77.247 -3.261 -8.499 1.00 1.00 O ATOM 751 CB ARG A 52 78.763 -6.229 -8.578 1.00 1.00 C ATOM 752 CG ARG A 52 79.964 -7.122 -8.249 1.00 1.00 C ATOM 753 CD ARG A 52 79.599 -8.586 -8.510 1.00 1.00 C ATOM 754 NE ARG A 52 80.779 -9.434 -8.365 1.00 1.00 N ATOM 755 CZ ARG A 52 81.188 -9.860 -7.175 1.00 1.00 C ATOM 756 NH1 ARG A 52 80.549 -9.505 -6.099 1.00 1.00 N ATOM 757 NH2 ARG A 52 82.236 -10.631 -7.085 1.00 1.00 N ATOM 0 H ARG A 52 78.599 -5.082 -6.325 1.00 1.00 H new ATOM 0 HA ARG A 52 80.135 -4.585 -8.716 1.00 1.00 H new ATOM 0 HB2 ARG A 52 77.911 -6.507 -7.958 1.00 1.00 H new ATOM 0 HB3 ARG A 52 78.463 -6.375 -9.616 1.00 1.00 H new ATOM 0 HG2 ARG A 52 80.821 -6.836 -8.858 1.00 1.00 H new ATOM 0 HG3 ARG A 52 80.255 -6.989 -7.207 1.00 1.00 H new ATOM 0 HD2 ARG A 52 78.825 -8.905 -7.812 1.00 1.00 H new ATOM 0 HD3 ARG A 52 79.187 -8.692 -9.514 1.00 1.00 H new ATOM 0 HE ARG A 52 81.302 -9.706 -9.198 1.00 1.00 H new ATOM 0 HH11 ARG A 52 79.732 -8.898 -6.168 1.00 1.00 H new ATOM 0 HH12 ARG A 52 80.865 -9.833 -5.186 1.00 1.00 H new ATOM 0 HH21 ARG A 52 82.741 -10.906 -7.928 1.00 1.00 H new ATOM 0 HH22 ARG A 52 82.551 -10.959 -6.172 1.00 1.00 H new ATOM 771 N ILE A 53 78.352 -3.744 -10.404 1.00 1.00 N ATOM 772 CA ILE A 53 77.501 -2.901 -11.240 1.00 1.00 C ATOM 773 C ILE A 53 76.170 -3.585 -11.540 1.00 1.00 C ATOM 774 O ILE A 53 76.112 -4.791 -11.775 1.00 1.00 O ATOM 775 CB ILE A 53 78.212 -2.581 -12.553 1.00 1.00 C ATOM 776 CG1 ILE A 53 77.370 -1.592 -13.362 1.00 1.00 C ATOM 777 CG2 ILE A 53 78.396 -3.867 -13.357 1.00 1.00 C ATOM 778 CD1 ILE A 53 78.179 -1.099 -14.564 1.00 1.00 C ATOM 0 H ILE A 53 79.094 -4.228 -10.909 1.00 1.00 H new ATOM 0 HA ILE A 53 77.302 -1.979 -10.693 1.00 1.00 H new ATOM 0 HB ILE A 53 79.186 -2.140 -12.341 1.00 1.00 H new ATOM 0 HG12 ILE A 53 76.451 -2.071 -13.700 1.00 1.00 H new ATOM 0 HG13 ILE A 53 77.078 -0.749 -12.736 1.00 1.00 H new ATOM 0 HG21 ILE A 53 78.903 -3.640 -14.295 1.00 1.00 H new ATOM 0 HG22 ILE A 53 78.995 -4.573 -12.782 1.00 1.00 H new ATOM 0 HG23 ILE A 53 77.421 -4.306 -13.569 1.00 1.00 H new ATOM 0 HD11 ILE A 53 77.580 -0.394 -15.141 1.00 1.00 H new ATOM 0 HD12 ILE A 53 79.085 -0.604 -14.214 1.00 1.00 H new ATOM 0 HD13 ILE A 53 78.449 -1.947 -15.194 1.00 1.00 H new ATOM 790 N GLN A 54 75.106 -2.799 -11.487 1.00 1.00 N ATOM 791 CA GLN A 54 73.772 -3.344 -11.711 1.00 1.00 C ATOM 792 C GLN A 54 73.651 -3.894 -13.132 1.00 1.00 C ATOM 793 O GLN A 54 73.090 -3.253 -14.020 1.00 1.00 O ATOM 794 CB GLN A 54 72.730 -2.241 -11.515 1.00 1.00 C ATOM 795 CG GLN A 54 73.058 -1.452 -10.248 1.00 1.00 C ATOM 796 CD GLN A 54 73.130 -2.402 -9.065 1.00 1.00 C ATOM 797 OE1 GLN A 54 74.292 -2.841 -8.668 1.00 1.00 O flip ATOM 798 NE2 GLN A 54 72.101 -2.769 -8.498 1.00 1.00 N flip ATOM 0 H GLN A 54 75.135 -1.798 -11.294 1.00 1.00 H new ATOM 0 HA GLN A 54 73.602 -4.152 -10.999 1.00 1.00 H new ATOM 0 HB2 GLN A 54 72.721 -1.576 -12.379 1.00 1.00 H new ATOM 0 HB3 GLN A 54 71.734 -2.676 -11.438 1.00 1.00 H new ATOM 0 HG2 GLN A 54 74.007 -0.930 -10.367 1.00 1.00 H new ATOM 0 HG3 GLN A 54 72.296 -0.692 -10.072 1.00 1.00 H new ATOM 0 HE21 GLN A 54 71.194 -2.423 -8.812 1.00 1.00 H new ATOM 0 HE22 GLN A 54 72.155 -3.419 -7.714 1.00 1.00 H new ATOM 807 N ILE A 55 74.149 -5.119 -13.313 1.00 1.00 N ATOM 808 CA ILE A 55 74.073 -5.818 -14.594 1.00 1.00 C ATOM 809 C ILE A 55 73.933 -7.321 -14.351 1.00 1.00 C ATOM 810 O ILE A 55 74.326 -7.808 -13.291 1.00 1.00 O ATOM 811 CB ILE A 55 75.321 -5.541 -15.443 1.00 1.00 C ATOM 812 CG1 ILE A 55 75.046 -5.950 -16.893 1.00 1.00 C ATOM 813 CG2 ILE A 55 76.519 -6.339 -14.907 1.00 1.00 C ATOM 814 CD1 ILE A 55 76.220 -5.530 -17.774 1.00 1.00 C ATOM 0 H ILE A 55 74.614 -5.651 -12.578 1.00 1.00 H new ATOM 0 HA ILE A 55 73.201 -5.453 -15.137 1.00 1.00 H new ATOM 0 HB ILE A 55 75.555 -4.478 -15.394 1.00 1.00 H new ATOM 0 HG12 ILE A 55 74.898 -7.028 -16.956 1.00 1.00 H new ATOM 0 HG13 ILE A 55 74.127 -5.481 -17.246 1.00 1.00 H new ATOM 0 HG21 ILE A 55 77.397 -6.132 -15.519 1.00 1.00 H new ATOM 0 HG22 ILE A 55 76.719 -6.047 -13.876 1.00 1.00 H new ATOM 0 HG23 ILE A 55 76.293 -7.405 -14.945 1.00 1.00 H new ATOM 0 HD11 ILE A 55 76.023 -5.822 -18.806 1.00 1.00 H new ATOM 0 HD12 ILE A 55 76.347 -4.449 -17.720 1.00 1.00 H new ATOM 0 HD13 ILE A 55 77.130 -6.019 -17.426 1.00 1.00 H new ATOM 826 N GLY A 56 73.374 -8.067 -15.310 1.00 1.00 N ATOM 827 CA GLY A 56 73.202 -9.513 -15.145 1.00 1.00 C ATOM 828 C GLY A 56 71.735 -9.863 -14.983 1.00 1.00 C ATOM 829 O GLY A 56 71.371 -11.035 -14.889 1.00 1.00 O ATOM 0 H GLY A 56 73.036 -7.698 -16.199 1.00 1.00 H new ATOM 0 HA2 GLY A 56 73.612 -10.034 -16.010 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.761 -9.854 -14.273 1.00 1.00 H new ATOM 833 N ASP A 57 70.889 -8.843 -14.972 1.00 1.00 N ATOM 834 CA ASP A 57 69.461 -9.076 -14.846 1.00 1.00 C ATOM 835 C ASP A 57 68.900 -9.492 -16.191 1.00 1.00 C ATOM 836 O ASP A 57 68.691 -8.663 -17.076 1.00 1.00 O ATOM 837 CB ASP A 57 68.772 -7.799 -14.386 1.00 1.00 C ATOM 838 CG ASP A 57 68.974 -6.699 -15.422 1.00 1.00 C ATOM 839 OD1 ASP A 57 70.094 -6.542 -15.881 1.00 1.00 O ATOM 840 OD2 ASP A 57 68.007 -6.031 -15.741 1.00 1.00 O ATOM 0 H ASP A 57 71.162 -7.863 -15.047 1.00 1.00 H new ATOM 0 HA ASP A 57 69.286 -9.865 -14.114 1.00 1.00 H new ATOM 0 HB2 ASP A 57 67.707 -7.982 -14.240 1.00 1.00 H new ATOM 0 HB3 ASP A 57 69.176 -7.483 -13.424 1.00 1.00 H new ATOM 845 N TRP A 58 68.712 -10.794 -16.363 1.00 1.00 N ATOM 846 CA TRP A 58 68.239 -11.329 -17.630 1.00 1.00 C ATOM 847 C TRP A 58 66.713 -11.418 -17.719 1.00 1.00 C ATOM 848 O TRP A 58 65.962 -11.217 -16.770 1.00 1.00 O ATOM 849 CB TRP A 58 68.886 -12.706 -17.910 1.00 1.00 C ATOM 850 CG TRP A 58 70.146 -12.549 -18.712 1.00 1.00 C ATOM 851 CD1 TRP A 58 71.010 -11.517 -18.597 1.00 1.00 C ATOM 852 CD2 TRP A 58 70.702 -13.433 -19.735 1.00 1.00 C ATOM 853 NE1 TRP A 58 72.058 -11.706 -19.477 1.00 1.00 N ATOM 854 CE2 TRP A 58 71.914 -12.871 -20.202 1.00 1.00 C ATOM 855 CE3 TRP A 58 70.280 -14.653 -20.300 1.00 1.00 C ATOM 856 CZ2 TRP A 58 72.681 -13.492 -21.188 1.00 1.00 C ATOM 857 CZ3 TRP A 58 71.053 -15.282 -21.296 1.00 1.00 C ATOM 858 CH2 TRP A 58 72.251 -14.701 -21.737 1.00 1.00 C ATOM 0 H TRP A 58 68.880 -11.496 -15.642 1.00 1.00 H new ATOM 0 HA TRP A 58 68.547 -10.622 -18.400 1.00 1.00 H new ATOM 0 HB2 TRP A 58 69.109 -13.207 -16.968 1.00 1.00 H new ATOM 0 HB3 TRP A 58 68.183 -13.341 -18.449 1.00 1.00 H new ATOM 0 HD1 TRP A 58 70.899 -10.679 -17.925 1.00 1.00 H new ATOM 0 HE1 TRP A 58 72.843 -11.062 -19.578 1.00 1.00 H new ATOM 0 HE3 TRP A 58 69.359 -15.108 -19.968 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 73.602 -13.040 -21.525 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 70.721 -16.217 -21.722 1.00 1.00 H new ATOM 0 HH2 TRP A 58 72.840 -15.188 -22.500 1.00 1.00 H new ATOM 869 N ARG A 59 66.343 -11.714 -18.942 1.00 1.00 N ATOM 870 CA ARG A 59 64.940 -11.840 -19.327 1.00 1.00 C ATOM 871 C ARG A 59 64.348 -13.224 -18.984 1.00 1.00 C ATOM 872 O ARG A 59 63.367 -13.313 -18.246 1.00 1.00 O ATOM 873 CB ARG A 59 64.741 -11.489 -20.819 1.00 1.00 C ATOM 874 CG ARG A 59 65.504 -12.446 -21.738 1.00 1.00 C ATOM 875 CD ARG A 59 65.313 -11.996 -23.184 1.00 1.00 C ATOM 876 NE ARG A 59 65.895 -12.977 -24.089 1.00 1.00 N ATOM 877 CZ ARG A 59 65.277 -14.128 -24.323 1.00 1.00 C ATOM 878 NH1 ARG A 59 64.149 -14.392 -23.720 1.00 1.00 N ATOM 879 NH2 ARG A 59 65.804 -14.998 -25.141 1.00 1.00 N ATOM 0 H ARG A 59 66.999 -11.876 -19.706 1.00 1.00 H new ATOM 0 HA ARG A 59 64.383 -11.116 -18.732 1.00 1.00 H new ATOM 0 HB2 ARG A 59 63.679 -11.523 -21.061 1.00 1.00 H new ATOM 0 HB3 ARG A 59 65.077 -10.468 -20.999 1.00 1.00 H new ATOM 0 HG2 ARG A 59 66.563 -12.452 -21.481 1.00 1.00 H new ATOM 0 HG3 ARG A 59 65.139 -13.465 -21.608 1.00 1.00 H new ATOM 0 HD2 ARG A 59 64.251 -11.875 -23.399 1.00 1.00 H new ATOM 0 HD3 ARG A 59 65.782 -11.024 -23.337 1.00 1.00 H new ATOM 0 HE ARG A 59 66.785 -12.778 -24.547 1.00 1.00 H new ATOM 0 HH11 ARG A 59 63.746 -13.715 -23.072 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.671 -15.275 -23.897 1.00 1.00 H new ATOM 0 HH21 ARG A 59 66.691 -14.793 -25.601 1.00 1.00 H new ATOM 0 HH22 ARG A 59 65.329 -15.882 -25.320 1.00 1.00 H new ATOM 893 N TYR A 60 64.948 -14.281 -19.511 1.00 1.00 N ATOM 894 CA TYR A 60 64.502 -15.678 -19.279 1.00 1.00 C ATOM 895 C TYR A 60 65.208 -16.354 -18.101 1.00 1.00 C ATOM 896 O TYR A 60 64.769 -17.405 -17.589 1.00 1.00 O ATOM 897 CB TYR A 60 64.671 -16.521 -20.553 1.00 1.00 C ATOM 898 CG TYR A 60 64.234 -17.948 -20.276 1.00 1.00 C ATOM 899 CD1 TYR A 60 62.875 -18.247 -20.079 1.00 1.00 C ATOM 900 CD2 TYR A 60 65.188 -18.969 -20.201 1.00 1.00 C ATOM 901 CE1 TYR A 60 62.480 -19.565 -19.809 1.00 1.00 C ATOM 902 CE2 TYR A 60 64.792 -20.284 -19.927 1.00 1.00 C ATOM 903 CZ TYR A 60 63.440 -20.582 -19.732 1.00 1.00 C ATOM 904 OH TYR A 60 63.053 -21.878 -19.456 1.00 1.00 O ATOM 0 H TYR A 60 65.765 -14.210 -20.118 1.00 1.00 H new ATOM 0 HA TYR A 60 63.445 -15.618 -19.018 1.00 1.00 H new ATOM 0 HB2 TYR A 60 64.077 -16.098 -21.363 1.00 1.00 H new ATOM 0 HB3 TYR A 60 65.711 -16.504 -20.878 1.00 1.00 H new ATOM 0 HD1 TYR A 60 62.135 -17.462 -20.136 1.00 1.00 H new ATOM 0 HD2 TYR A 60 66.233 -18.742 -20.355 1.00 1.00 H new ATOM 0 HE1 TYR A 60 61.436 -19.796 -19.660 1.00 1.00 H new ATOM 0 HE2 TYR A 60 65.532 -21.069 -19.866 1.00 1.00 H new ATOM 0 HH TYR A 60 63.842 -22.459 -19.440 1.00 1.00 H new ATOM 914 N GLU A 61 66.300 -15.767 -17.669 1.00 1.00 N ATOM 915 CA GLU A 61 67.067 -16.329 -16.575 1.00 1.00 C ATOM 916 C GLU A 61 66.407 -16.041 -15.243 1.00 1.00 C ATOM 917 O GLU A 61 66.816 -16.570 -14.226 1.00 1.00 O ATOM 918 CB GLU A 61 68.493 -15.750 -16.579 1.00 1.00 C ATOM 919 CG GLU A 61 69.506 -16.806 -16.132 1.00 1.00 C ATOM 920 CD GLU A 61 70.861 -16.153 -15.897 1.00 1.00 C ATOM 921 OE1 GLU A 61 70.988 -15.437 -14.917 1.00 1.00 O ATOM 922 OE2 GLU A 61 71.751 -16.381 -16.698 1.00 1.00 O ATOM 0 H GLU A 61 66.679 -14.902 -18.055 1.00 1.00 H new ATOM 0 HA GLU A 61 67.111 -17.409 -16.713 1.00 1.00 H new ATOM 0 HB2 GLU A 61 68.745 -15.397 -17.579 1.00 1.00 H new ATOM 0 HB3 GLU A 61 68.542 -14.887 -15.915 1.00 1.00 H new ATOM 0 HG2 GLU A 61 69.162 -17.290 -15.218 1.00 1.00 H new ATOM 0 HG3 GLU A 61 69.593 -17.584 -16.891 1.00 1.00 H new ATOM 929 N VAL A 62 65.456 -15.132 -15.213 1.00 1.00 N ATOM 930 CA VAL A 62 64.866 -14.752 -13.934 1.00 1.00 C ATOM 931 C VAL A 62 64.500 -15.984 -13.155 1.00 1.00 C ATOM 932 O VAL A 62 64.896 -16.118 -12.032 1.00 1.00 O ATOM 933 CB VAL A 62 63.638 -13.867 -14.146 1.00 1.00 C ATOM 934 CG1 VAL A 62 64.071 -12.557 -14.804 1.00 1.00 C ATOM 935 CG2 VAL A 62 62.634 -14.583 -15.053 1.00 1.00 C ATOM 0 H VAL A 62 65.079 -14.651 -16.030 1.00 1.00 H new ATOM 0 HA VAL A 62 65.600 -14.180 -13.366 1.00 1.00 H new ATOM 0 HB VAL A 62 63.169 -13.661 -13.184 1.00 1.00 H new ATOM 0 HG11 VAL A 62 63.199 -11.921 -14.958 1.00 1.00 H new ATOM 0 HG12 VAL A 62 64.784 -12.044 -14.159 1.00 1.00 H new ATOM 0 HG13 VAL A 62 64.539 -12.770 -15.765 1.00 1.00 H new ATOM 0 HG21 VAL A 62 61.760 -13.948 -15.201 1.00 1.00 H new ATOM 0 HG22 VAL A 62 63.099 -14.792 -16.017 1.00 1.00 H new ATOM 0 HG23 VAL A 62 62.327 -15.520 -14.588 1.00 1.00 H new ATOM 945 N ALA A 63 63.726 -16.876 -13.713 1.00 1.00 N ATOM 946 CA ALA A 63 63.362 -18.065 -12.983 1.00 1.00 C ATOM 947 C ALA A 63 64.598 -18.930 -12.797 1.00 1.00 C ATOM 948 O ALA A 63 64.919 -19.333 -11.682 1.00 1.00 O ATOM 949 CB ALA A 63 62.288 -18.859 -13.745 1.00 1.00 C ATOM 0 H ALA A 63 63.340 -16.807 -14.655 1.00 1.00 H new ATOM 0 HA ALA A 63 62.957 -17.777 -12.013 1.00 1.00 H new ATOM 0 HB1 ALA A 63 62.026 -19.753 -13.179 1.00 1.00 H new ATOM 0 HB2 ALA A 63 61.401 -18.239 -13.875 1.00 1.00 H new ATOM 0 HB3 ALA A 63 62.675 -19.149 -14.722 1.00 1.00 H new ATOM 955 N HIS A 64 65.315 -19.189 -13.898 1.00 1.00 N ATOM 956 CA HIS A 64 66.519 -20.018 -13.799 1.00 1.00 C ATOM 957 C HIS A 64 67.388 -19.512 -12.642 1.00 1.00 C ATOM 958 O HIS A 64 67.671 -20.233 -11.692 1.00 1.00 O ATOM 959 CB HIS A 64 67.302 -19.969 -15.131 1.00 1.00 C ATOM 960 CG HIS A 64 67.687 -21.358 -15.577 1.00 1.00 C ATOM 961 ND1 HIS A 64 67.370 -21.841 -16.836 1.00 1.00 N ATOM 962 CD2 HIS A 64 68.355 -22.372 -14.940 1.00 1.00 C ATOM 963 CE1 HIS A 64 67.844 -23.096 -16.918 1.00 1.00 C ATOM 964 NE2 HIS A 64 68.455 -23.470 -15.790 1.00 1.00 N ATOM 0 H HIS A 64 65.093 -18.850 -14.834 1.00 1.00 H new ATOM 0 HA HIS A 64 66.238 -21.053 -13.604 1.00 1.00 H new ATOM 0 HB2 HIS A 64 66.693 -19.491 -15.899 1.00 1.00 H new ATOM 0 HB3 HIS A 64 68.198 -19.360 -15.009 1.00 1.00 H new ATOM 0 HD2 HIS A 64 68.744 -22.326 -13.933 1.00 1.00 H new ATOM 0 HE1 HIS A 64 67.743 -23.726 -17.790 1.00 1.00 H new ATOM 0 HE2 HIS A 64 68.899 -24.367 -15.594 1.00 1.00 H new ATOM 972 N ASP A 65 67.771 -18.259 -12.738 1.00 1.00 N ATOM 973 CA ASP A 65 68.579 -17.625 -11.707 1.00 1.00 C ATOM 974 C ASP A 65 67.738 -17.385 -10.451 1.00 1.00 C ATOM 975 O ASP A 65 68.109 -17.790 -9.337 1.00 1.00 O ATOM 976 CB ASP A 65 69.148 -16.295 -12.221 1.00 1.00 C ATOM 977 CG ASP A 65 70.001 -15.627 -11.143 1.00 1.00 C ATOM 978 OD1 ASP A 65 69.611 -15.666 -9.989 1.00 1.00 O ATOM 979 OD2 ASP A 65 71.038 -15.086 -11.492 1.00 1.00 O ATOM 0 H ASP A 65 67.537 -17.651 -13.523 1.00 1.00 H new ATOM 0 HA ASP A 65 69.407 -18.288 -11.456 1.00 1.00 H new ATOM 0 HB2 ASP A 65 69.750 -16.470 -13.113 1.00 1.00 H new ATOM 0 HB3 ASP A 65 68.333 -15.632 -12.512 1.00 1.00 H new ATOM 984 N GLY A 66 66.569 -16.787 -10.611 1.00 1.00 N ATOM 985 CA GLY A 66 65.673 -16.543 -9.495 1.00 1.00 C ATOM 986 C GLY A 66 65.047 -17.840 -9.008 1.00 1.00 C ATOM 987 O GLY A 66 63.992 -17.836 -8.376 1.00 1.00 O ATOM 0 H GLY A 66 66.217 -16.460 -11.511 1.00 1.00 H new ATOM 0 HA2 GLY A 66 66.221 -16.071 -8.680 1.00 1.00 H new ATOM 0 HA3 GLY A 66 64.890 -15.848 -9.797 1.00 1.00 H new ATOM 991 N ARG A 67 65.746 -18.938 -9.245 1.00 1.00 N ATOM 992 CA ARG A 67 65.325 -20.237 -8.759 1.00 1.00 C ATOM 993 C ARG A 67 65.651 -20.247 -7.283 1.00 1.00 C ATOM 994 O ARG A 67 65.507 -21.279 -6.633 1.00 1.00 O ATOM 995 CB ARG A 67 66.054 -21.422 -9.424 1.00 1.00 C ATOM 996 CG ARG A 67 65.328 -21.947 -10.697 1.00 1.00 C ATOM 997 CD ARG A 67 64.868 -23.407 -10.520 1.00 1.00 C ATOM 998 NE ARG A 67 63.598 -23.424 -9.806 1.00 1.00 N ATOM 999 CZ ARG A 67 62.468 -23.135 -10.441 1.00 1.00 C ATOM 1000 NH1 ARG A 67 62.491 -22.901 -11.728 1.00 1.00 N ATOM 1001 NH2 ARG A 67 61.341 -23.089 -9.787 1.00 1.00 N ATOM 0 H ARG A 67 66.616 -18.952 -9.777 1.00 1.00 H new ATOM 0 HA ARG A 67 64.267 -20.368 -8.986 1.00 1.00 H new ATOM 0 HB2 ARG A 67 67.066 -21.116 -9.690 1.00 1.00 H new ATOM 0 HB3 ARG A 67 66.146 -22.235 -8.704 1.00 1.00 H new ATOM 0 HG2 ARG A 67 64.466 -21.316 -10.912 1.00 1.00 H new ATOM 0 HG3 ARG A 67 65.997 -21.876 -11.555 1.00 1.00 H new ATOM 0 HD2 ARG A 67 64.759 -23.887 -11.492 1.00 1.00 H new ATOM 0 HD3 ARG A 67 65.618 -23.973 -9.967 1.00 1.00 H new ATOM 0 HE ARG A 67 63.577 -23.659 -8.814 1.00 1.00 H new ATOM 0 HH11 ARG A 67 63.373 -22.941 -12.238 1.00 1.00 H new ATOM 0 HH12 ARG A 67 61.626 -22.679 -12.221 1.00 1.00 H new ATOM 0 HH21 ARG A 67 61.325 -23.275 -8.784 1.00 1.00 H new ATOM 0 HH22 ARG A 67 60.475 -22.867 -10.278 1.00 1.00 H new ATOM 1015 N LEU A 68 66.172 -19.101 -6.782 1.00 1.00 N ATOM 1016 CA LEU A 68 66.600 -19.021 -5.365 1.00 1.00 C ATOM 1017 C LEU A 68 65.649 -19.863 -4.541 1.00 1.00 C ATOM 1018 O LEU A 68 66.022 -20.397 -3.509 1.00 1.00 O ATOM 1019 CB LEU A 68 66.614 -17.572 -4.774 1.00 1.00 C ATOM 1020 CG LEU A 68 66.229 -16.529 -5.816 1.00 1.00 C ATOM 1021 CD1 LEU A 68 64.714 -16.561 -6.051 1.00 1.00 C ATOM 1022 CD2 LEU A 68 66.618 -15.128 -5.310 1.00 1.00 C ATOM 0 H LEU A 68 66.303 -18.244 -7.319 1.00 1.00 H new ATOM 0 HA LEU A 68 67.629 -19.379 -5.326 1.00 1.00 H new ATOM 0 HB2 LEU A 68 65.923 -17.517 -3.933 1.00 1.00 H new ATOM 0 HB3 LEU A 68 67.608 -17.348 -4.386 1.00 1.00 H new ATOM 0 HG LEU A 68 66.752 -16.751 -6.746 1.00 1.00 H new ATOM 0 HD11 LEU A 68 64.446 -15.813 -6.797 1.00 1.00 H new ATOM 0 HD12 LEU A 68 64.422 -17.549 -6.406 1.00 1.00 H new ATOM 0 HD13 LEU A 68 64.196 -16.344 -5.117 1.00 1.00 H new ATOM 0 HD21 LEU A 68 66.342 -14.382 -6.056 1.00 1.00 H new ATOM 0 HD22 LEU A 68 66.094 -14.919 -4.377 1.00 1.00 H new ATOM 0 HD23 LEU A 68 67.694 -15.089 -5.138 1.00 1.00 H new ATOM 1034 N LEU A 69 64.425 -20.005 -5.023 1.00 1.00 N ATOM 1035 CA LEU A 69 63.501 -20.848 -4.282 1.00 1.00 C ATOM 1036 C LEU A 69 64.072 -22.275 -4.275 1.00 1.00 C ATOM 1037 O LEU A 69 64.441 -22.785 -3.218 1.00 1.00 O ATOM 1038 CB LEU A 69 62.105 -20.824 -4.940 1.00 1.00 C ATOM 1039 CG LEU A 69 61.047 -21.528 -4.052 1.00 1.00 C ATOM 1040 CD1 LEU A 69 61.320 -23.042 -3.976 1.00 1.00 C ATOM 1041 CD2 LEU A 69 61.034 -20.919 -2.632 1.00 1.00 C ATOM 0 H LEU A 69 64.062 -19.576 -5.874 1.00 1.00 H new ATOM 0 HA LEU A 69 63.389 -20.483 -3.261 1.00 1.00 H new ATOM 0 HB2 LEU A 69 61.803 -19.792 -5.118 1.00 1.00 H new ATOM 0 HB3 LEU A 69 62.151 -21.315 -5.912 1.00 1.00 H new ATOM 0 HG LEU A 69 60.069 -21.373 -4.507 1.00 1.00 H new ATOM 0 HD11 LEU A 69 60.566 -23.517 -3.348 1.00 1.00 H new ATOM 0 HD12 LEU A 69 61.280 -23.470 -4.978 1.00 1.00 H new ATOM 0 HD13 LEU A 69 62.308 -23.213 -3.548 1.00 1.00 H new ATOM 0 HD21 LEU A 69 60.285 -21.427 -2.025 1.00 1.00 H new ATOM 0 HD22 LEU A 69 62.016 -21.042 -2.174 1.00 1.00 H new ATOM 0 HD23 LEU A 69 60.792 -19.858 -2.693 1.00 1.00 H new ATOM 1053 N ALA A 70 64.173 -22.905 -5.458 1.00 1.00 N ATOM 1054 CA ALA A 70 64.747 -24.267 -5.509 1.00 1.00 C ATOM 1055 C ALA A 70 66.257 -24.126 -5.435 1.00 1.00 C ATOM 1056 O ALA A 70 66.861 -24.410 -4.398 1.00 1.00 O ATOM 1057 CB ALA A 70 64.338 -24.982 -6.805 1.00 1.00 C ATOM 0 H ALA A 70 63.881 -22.518 -6.355 1.00 1.00 H new ATOM 0 HA ALA A 70 64.375 -24.866 -4.678 1.00 1.00 H new ATOM 0 HB1 ALA A 70 64.771 -25.982 -6.821 1.00 1.00 H new ATOM 0 HB2 ALA A 70 63.252 -25.057 -6.852 1.00 1.00 H new ATOM 0 HB3 ALA A 70 64.700 -24.416 -7.663 1.00 1.00 H new ATOM 1063 N ALA A 71 66.855 -23.689 -6.544 1.00 1.00 N ATOM 1064 CA ALA A 71 68.287 -23.458 -6.682 1.00 1.00 C ATOM 1065 C ALA A 71 68.874 -22.710 -5.491 1.00 1.00 C ATOM 1066 O ALA A 71 70.049 -22.366 -5.509 1.00 1.00 O ATOM 1067 CB ALA A 71 68.586 -22.689 -7.977 1.00 1.00 C ATOM 0 H ALA A 71 66.336 -23.480 -7.397 1.00 1.00 H new ATOM 0 HA ALA A 71 68.761 -24.439 -6.721 1.00 1.00 H new ATOM 0 HB1 ALA A 71 69.660 -22.525 -8.063 1.00 1.00 H new ATOM 0 HB2 ALA A 71 68.237 -23.267 -8.832 1.00 1.00 H new ATOM 0 HB3 ALA A 71 68.073 -21.727 -7.956 1.00 1.00 H new ATOM 1073 N HIS A 72 68.066 -22.442 -4.465 1.00 1.00 N ATOM 1074 CA HIS A 72 68.510 -21.722 -3.279 1.00 1.00 C ATOM 1075 C HIS A 72 69.987 -21.947 -2.987 1.00 1.00 C ATOM 1076 O HIS A 72 70.804 -21.064 -3.242 1.00 1.00 O ATOM 1077 CB HIS A 72 67.693 -22.246 -2.092 1.00 1.00 C ATOM 1078 CG HIS A 72 67.996 -21.449 -0.865 1.00 1.00 C ATOM 1079 ND1 HIS A 72 68.621 -20.216 -0.922 1.00 1.00 N ATOM 1080 CD2 HIS A 72 67.741 -21.685 0.461 1.00 1.00 C ATOM 1081 CE1 HIS A 72 68.715 -19.758 0.336 1.00 1.00 C ATOM 1082 NE2 HIS A 72 68.192 -20.613 1.215 1.00 1.00 N ATOM 0 H HIS A 72 67.085 -22.720 -4.436 1.00 1.00 H new ATOM 0 HA HIS A 72 68.366 -20.654 -3.444 1.00 1.00 H new ATOM 0 HB2 HIS A 72 66.629 -22.187 -2.319 1.00 1.00 H new ATOM 0 HB3 HIS A 72 67.924 -23.297 -1.918 1.00 1.00 H new ATOM 0 HD1 HIS A 72 68.949 -19.743 -1.764 1.00 1.00 H new ATOM 0 HD2 HIS A 72 67.263 -22.569 0.857 1.00 1.00 H new ATOM 0 HE1 HIS A 72 69.160 -18.811 0.604 1.00 1.00 H new ATOM 1090 N MET A 73 70.358 -23.122 -2.490 1.00 1.00 N ATOM 1091 CA MET A 73 71.770 -23.356 -2.236 1.00 1.00 C ATOM 1092 C MET A 73 72.488 -23.166 -3.569 1.00 1.00 C ATOM 1093 O MET A 73 73.469 -22.430 -3.658 1.00 1.00 O ATOM 1094 CB MET A 73 72.029 -24.772 -1.653 1.00 1.00 C ATOM 1095 CG MET A 73 70.720 -25.570 -1.562 1.00 1.00 C ATOM 1096 SD MET A 73 69.572 -24.754 -0.422 1.00 1.00 S ATOM 1097 CE MET A 73 70.125 -25.559 1.098 1.00 1.00 C ATOM 0 H MET A 73 69.731 -23.894 -2.264 1.00 1.00 H new ATOM 0 HA MET A 73 72.142 -22.658 -1.486 1.00 1.00 H new ATOM 0 HB2 MET A 73 72.742 -25.305 -2.282 1.00 1.00 H new ATOM 0 HB3 MET A 73 72.478 -24.687 -0.663 1.00 1.00 H new ATOM 0 HG2 MET A 73 70.266 -25.653 -2.550 1.00 1.00 H new ATOM 0 HG3 MET A 73 70.926 -26.584 -1.219 1.00 1.00 H new ATOM 0 HE1 MET A 73 69.448 -25.302 1.913 1.00 1.00 H new ATOM 0 HE2 MET A 73 70.129 -26.640 0.957 1.00 1.00 H new ATOM 0 HE3 MET A 73 71.132 -25.222 1.343 1.00 1.00 H new ATOM 1107 N VAL A 74 72.030 -23.899 -4.579 1.00 1.00 N ATOM 1108 CA VAL A 74 72.676 -23.877 -5.882 1.00 1.00 C ATOM 1109 C VAL A 74 73.067 -22.457 -6.295 1.00 1.00 C ATOM 1110 O VAL A 74 74.136 -22.316 -6.880 1.00 1.00 O ATOM 1111 CB VAL A 74 71.762 -24.499 -6.919 1.00 1.00 C ATOM 1112 CG1 VAL A 74 72.440 -24.520 -8.290 1.00 1.00 C ATOM 1113 CG2 VAL A 74 71.395 -25.921 -6.486 1.00 1.00 C ATOM 0 H VAL A 74 71.217 -24.512 -4.519 1.00 1.00 H new ATOM 0 HA VAL A 74 73.594 -24.460 -5.814 1.00 1.00 H new ATOM 0 HB VAL A 74 70.855 -23.900 -6.998 1.00 1.00 H new ATOM 0 HG11 VAL A 74 71.768 -24.970 -9.021 1.00 1.00 H new ATOM 0 HG12 VAL A 74 72.677 -23.501 -8.594 1.00 1.00 H new ATOM 0 HG13 VAL A 74 73.358 -25.104 -8.233 1.00 1.00 H new ATOM 0 HG21 VAL A 74 70.738 -26.370 -7.231 1.00 1.00 H new ATOM 0 HG22 VAL A 74 72.302 -26.519 -6.395 1.00 1.00 H new ATOM 0 HG23 VAL A 74 70.884 -25.888 -5.524 1.00 1.00 H new ATOM 1123 N ASN A 75 72.236 -21.399 -6.042 1.00 1.00 N ATOM 1124 CA ASN A 75 72.592 -20.002 -6.423 1.00 1.00 C ATOM 1125 C ASN A 75 74.090 -19.765 -6.273 1.00 1.00 C ATOM 1126 O ASN A 75 74.680 -18.861 -6.886 1.00 1.00 O ATOM 1127 CB ASN A 75 71.850 -18.996 -5.526 1.00 1.00 C ATOM 1128 CG ASN A 75 72.376 -19.044 -4.093 1.00 1.00 C ATOM 1129 OD1 ASN A 75 72.893 -20.068 -3.651 1.00 1.00 O ATOM 1130 ND2 ASN A 75 72.284 -17.977 -3.341 1.00 1.00 N ATOM 0 H ASN A 75 71.330 -21.489 -5.583 1.00 1.00 H new ATOM 0 HA ASN A 75 72.301 -19.860 -7.464 1.00 1.00 H new ATOM 0 HB2 ASN A 75 71.970 -17.990 -5.927 1.00 1.00 H new ATOM 0 HB3 ASN A 75 70.783 -19.217 -5.532 1.00 1.00 H new ATOM 0 HD21 ASN A 75 72.642 -17.994 -2.386 1.00 1.00 H new ATOM 0 HD22 ASN A 75 71.855 -17.129 -3.710 1.00 1.00 H new ATOM 1137 N GLY A 76 74.703 -20.681 -5.565 1.00 1.00 N ATOM 1138 CA GLY A 76 76.132 -20.712 -5.426 1.00 1.00 C ATOM 1139 C GLY A 76 76.726 -20.600 -6.829 1.00 1.00 C ATOM 1140 O GLY A 76 77.887 -20.272 -7.011 1.00 1.00 O ATOM 0 H GLY A 76 74.219 -21.429 -5.068 1.00 1.00 H new ATOM 0 HA2 GLY A 76 76.475 -19.891 -4.797 1.00 1.00 H new ATOM 0 HA3 GLY A 76 76.452 -21.637 -4.946 1.00 1.00 H new ATOM 1144 N ILE A 77 75.910 -20.913 -7.837 1.00 1.00 N ATOM 1145 CA ILE A 77 76.383 -20.852 -9.194 1.00 1.00 C ATOM 1146 C ILE A 77 76.915 -19.464 -9.507 1.00 1.00 C ATOM 1147 O ILE A 77 78.027 -19.380 -9.994 1.00 1.00 O ATOM 1148 CB ILE A 77 75.297 -21.261 -10.188 1.00 1.00 C ATOM 1149 CG1 ILE A 77 74.017 -20.492 -9.884 1.00 1.00 C ATOM 1150 CG2 ILE A 77 75.042 -22.764 -10.060 1.00 1.00 C ATOM 1151 CD1 ILE A 77 72.916 -20.886 -10.871 1.00 1.00 C ATOM 0 H ILE A 77 74.938 -21.205 -7.729 1.00 1.00 H new ATOM 0 HA ILE A 77 77.199 -21.567 -9.297 1.00 1.00 H new ATOM 0 HB ILE A 77 75.619 -21.032 -11.204 1.00 1.00 H new ATOM 0 HG12 ILE A 77 73.693 -20.700 -8.864 1.00 1.00 H new ATOM 0 HG13 ILE A 77 74.205 -19.420 -9.946 1.00 1.00 H new ATOM 0 HG21 ILE A 77 74.268 -23.063 -10.767 1.00 1.00 H new ATOM 0 HG22 ILE A 77 75.961 -23.309 -10.276 1.00 1.00 H new ATOM 0 HG23 ILE A 77 74.715 -22.993 -9.046 1.00 1.00 H new ATOM 0 HD11 ILE A 77 72.007 -20.330 -10.643 1.00 1.00 H new ATOM 0 HD12 ILE A 77 73.238 -20.655 -11.886 1.00 1.00 H new ATOM 0 HD13 ILE A 77 72.718 -21.955 -10.788 1.00 1.00 H new ATOM 1163 N VAL A 78 76.183 -18.359 -9.240 1.00 1.00 N ATOM 1164 CA VAL A 78 76.698 -17.031 -9.535 1.00 1.00 C ATOM 1165 C VAL A 78 78.051 -16.753 -8.901 1.00 1.00 C ATOM 1166 O VAL A 78 78.779 -15.884 -9.380 1.00 1.00 O ATOM 1167 CB VAL A 78 75.720 -15.987 -8.982 1.00 1.00 C ATOM 1168 CG1 VAL A 78 76.153 -14.591 -9.431 1.00 1.00 C ATOM 1169 CG2 VAL A 78 74.302 -16.270 -9.484 1.00 1.00 C ATOM 0 H VAL A 78 75.250 -18.373 -8.827 1.00 1.00 H new ATOM 0 HA VAL A 78 76.810 -16.977 -10.618 1.00 1.00 H new ATOM 0 HB VAL A 78 75.726 -16.040 -7.893 1.00 1.00 H new ATOM 0 HG11 VAL A 78 75.457 -13.850 -9.037 1.00 1.00 H new ATOM 0 HG12 VAL A 78 77.155 -14.383 -9.056 1.00 1.00 H new ATOM 0 HG13 VAL A 78 76.156 -14.544 -10.520 1.00 1.00 H new ATOM 0 HG21 VAL A 78 73.618 -15.521 -9.084 1.00 1.00 H new ATOM 0 HG22 VAL A 78 74.287 -16.230 -10.573 1.00 1.00 H new ATOM 0 HG23 VAL A 78 73.990 -17.260 -9.153 1.00 1.00 H new ATOM 1179 N ILE A 79 78.413 -17.503 -7.857 1.00 1.00 N ATOM 1180 CA ILE A 79 79.731 -17.287 -7.253 1.00 1.00 C ATOM 1181 C ILE A 79 80.752 -18.210 -7.906 1.00 1.00 C ATOM 1182 O ILE A 79 81.868 -17.803 -8.196 1.00 1.00 O ATOM 1183 CB ILE A 79 79.752 -17.407 -5.718 1.00 1.00 C ATOM 1184 CG1 ILE A 79 79.340 -18.790 -5.246 1.00 1.00 C ATOM 1185 CG2 ILE A 79 78.789 -16.376 -5.146 1.00 1.00 C ATOM 1186 CD1 ILE A 79 79.656 -18.959 -3.748 1.00 1.00 C ATOM 0 H ILE A 79 77.843 -18.232 -7.428 1.00 1.00 H new ATOM 0 HA ILE A 79 80.000 -16.249 -7.448 1.00 1.00 H new ATOM 0 HB ILE A 79 80.771 -17.234 -5.373 1.00 1.00 H new ATOM 0 HG12 ILE A 79 78.274 -18.938 -5.419 1.00 1.00 H new ATOM 0 HG13 ILE A 79 79.865 -19.550 -5.824 1.00 1.00 H new ATOM 0 HG21 ILE A 79 78.788 -16.443 -4.058 1.00 1.00 H new ATOM 0 HG22 ILE A 79 79.104 -15.377 -5.447 1.00 1.00 H new ATOM 0 HG23 ILE A 79 77.784 -16.568 -5.522 1.00 1.00 H new ATOM 0 HD11 ILE A 79 79.355 -19.955 -3.423 1.00 1.00 H new ATOM 0 HD12 ILE A 79 80.726 -18.832 -3.585 1.00 1.00 H new ATOM 0 HD13 ILE A 79 79.110 -18.210 -3.174 1.00 1.00 H new ATOM 1198 N ALA A 80 80.356 -19.449 -8.174 1.00 1.00 N ATOM 1199 CA ALA A 80 81.260 -20.412 -8.812 1.00 1.00 C ATOM 1200 C ALA A 80 81.381 -20.228 -10.334 1.00 1.00 C ATOM 1201 O ALA A 80 82.329 -20.732 -10.934 1.00 1.00 O ATOM 1202 CB ALA A 80 80.782 -21.841 -8.525 1.00 1.00 C ATOM 0 H ALA A 80 79.426 -19.812 -7.964 1.00 1.00 H new ATOM 0 HA ALA A 80 82.246 -20.231 -8.385 1.00 1.00 H new ATOM 0 HB1 ALA A 80 81.457 -22.553 -9.001 1.00 1.00 H new ATOM 0 HB2 ALA A 80 80.774 -22.013 -7.449 1.00 1.00 H new ATOM 0 HB3 ALA A 80 79.775 -21.974 -8.921 1.00 1.00 H new ATOM 1208 N GLU A 81 80.416 -19.549 -10.980 1.00 1.00 N ATOM 1209 CA GLU A 81 80.472 -19.403 -12.438 1.00 1.00 C ATOM 1210 C GLU A 81 81.138 -18.115 -12.920 1.00 1.00 C ATOM 1211 O GLU A 81 82.236 -18.181 -13.472 1.00 1.00 O ATOM 1212 CB GLU A 81 79.054 -19.506 -13.035 1.00 1.00 C ATOM 1213 CG GLU A 81 78.111 -18.401 -12.484 1.00 1.00 C ATOM 1214 CD GLU A 81 77.816 -17.321 -13.527 1.00 1.00 C ATOM 1215 OE1 GLU A 81 77.787 -17.638 -14.708 1.00 1.00 O ATOM 1216 OE2 GLU A 81 77.615 -16.188 -13.118 1.00 1.00 O ATOM 0 H GLU A 81 79.614 -19.107 -10.530 1.00 1.00 H new ATOM 0 HA GLU A 81 81.102 -20.220 -12.790 1.00 1.00 H new ATOM 0 HB2 GLU A 81 79.111 -19.427 -14.121 1.00 1.00 H new ATOM 0 HB3 GLU A 81 78.635 -20.487 -12.809 1.00 1.00 H new ATOM 0 HG2 GLU A 81 77.175 -18.854 -12.158 1.00 1.00 H new ATOM 0 HG3 GLU A 81 78.566 -17.942 -11.606 1.00 1.00 H new ATOM 1223 N ASP A 82 80.500 -16.948 -12.762 1.00 1.00 N ATOM 1224 CA ASP A 82 81.089 -15.701 -13.245 1.00 1.00 C ATOM 1225 C ASP A 82 82.000 -14.992 -12.229 1.00 1.00 C ATOM 1226 O ASP A 82 82.724 -14.076 -12.604 1.00 1.00 O ATOM 1227 CB ASP A 82 79.981 -14.750 -13.695 1.00 1.00 C ATOM 1228 CG ASP A 82 80.577 -13.609 -14.505 1.00 1.00 C ATOM 1229 OD1 ASP A 82 81.141 -13.888 -15.551 1.00 1.00 O ATOM 1230 OD2 ASP A 82 80.460 -12.477 -14.069 1.00 1.00 O ATOM 0 H ASP A 82 79.591 -16.845 -12.311 1.00 1.00 H new ATOM 0 HA ASP A 82 81.732 -15.977 -14.081 1.00 1.00 H new ATOM 0 HB2 ASP A 82 79.248 -15.289 -14.295 1.00 1.00 H new ATOM 0 HB3 ASP A 82 79.454 -14.355 -12.827 1.00 1.00 H new ATOM 1235 N ALA A 83 81.950 -15.360 -10.947 1.00 1.00 N ATOM 1236 CA ALA A 83 82.790 -14.639 -9.989 1.00 1.00 C ATOM 1237 C ALA A 83 84.242 -14.531 -10.455 1.00 1.00 C ATOM 1238 O ALA A 83 84.825 -13.471 -10.359 1.00 1.00 O ATOM 1239 CB ALA A 83 82.767 -15.284 -8.622 1.00 1.00 C ATOM 0 H ALA A 83 81.373 -16.108 -10.563 1.00 1.00 H new ATOM 0 HA ALA A 83 82.364 -13.638 -9.924 1.00 1.00 H new ATOM 0 HB1 ALA A 83 83.403 -14.718 -7.942 1.00 1.00 H new ATOM 0 HB2 ALA A 83 81.746 -15.293 -8.241 1.00 1.00 H new ATOM 0 HB3 ALA A 83 83.135 -16.307 -8.696 1.00 1.00 H new ATOM 1245 N LEU A 84 84.832 -15.623 -10.931 1.00 1.00 N ATOM 1246 CA LEU A 84 86.240 -15.595 -11.355 1.00 1.00 C ATOM 1247 C LEU A 84 86.582 -14.293 -12.095 1.00 1.00 C ATOM 1248 O LEU A 84 87.612 -13.679 -11.819 1.00 1.00 O ATOM 1249 CB LEU A 84 86.516 -16.816 -12.257 1.00 1.00 C ATOM 1250 CG LEU A 84 88.031 -17.058 -12.505 1.00 1.00 C ATOM 1251 CD1 LEU A 84 88.639 -15.940 -13.378 1.00 1.00 C ATOM 1252 CD2 LEU A 84 88.795 -17.163 -11.169 1.00 1.00 C ATOM 0 H LEU A 84 84.372 -16.527 -11.034 1.00 1.00 H new ATOM 0 HA LEU A 84 86.873 -15.637 -10.469 1.00 1.00 H new ATOM 0 HB2 LEU A 84 86.082 -17.705 -11.799 1.00 1.00 H new ATOM 0 HB3 LEU A 84 86.015 -16.674 -13.215 1.00 1.00 H new ATOM 0 HG LEU A 84 88.131 -18.002 -13.040 1.00 1.00 H new ATOM 0 HD11 LEU A 84 89.700 -16.137 -13.534 1.00 1.00 H new ATOM 0 HD12 LEU A 84 88.129 -15.913 -14.341 1.00 1.00 H new ATOM 0 HD13 LEU A 84 88.518 -14.980 -12.876 1.00 1.00 H new ATOM 0 HD21 LEU A 84 89.853 -17.332 -11.367 1.00 1.00 H new ATOM 0 HD22 LEU A 84 88.675 -16.237 -10.607 1.00 1.00 H new ATOM 0 HD23 LEU A 84 88.397 -17.994 -10.587 1.00 1.00 H new ATOM 1264 N ILE A 85 85.732 -13.864 -13.024 1.00 1.00 N ATOM 1265 CA ILE A 85 86.023 -12.633 -13.760 1.00 1.00 C ATOM 1266 C ILE A 85 85.978 -11.419 -12.836 1.00 1.00 C ATOM 1267 O ILE A 85 86.743 -10.467 -13.017 1.00 1.00 O ATOM 1268 CB ILE A 85 85.069 -12.450 -14.963 1.00 1.00 C ATOM 1269 CG1 ILE A 85 85.767 -11.597 -16.034 1.00 1.00 C ATOM 1270 CG2 ILE A 85 83.760 -11.763 -14.531 1.00 1.00 C ATOM 1271 CD1 ILE A 85 84.841 -11.406 -17.231 1.00 1.00 C ATOM 0 H ILE A 85 84.863 -14.331 -13.281 1.00 1.00 H new ATOM 0 HA ILE A 85 87.035 -12.720 -14.155 1.00 1.00 H new ATOM 0 HB ILE A 85 84.823 -13.433 -15.366 1.00 1.00 H new ATOM 0 HG12 ILE A 85 86.042 -10.628 -15.617 1.00 1.00 H new ATOM 0 HG13 ILE A 85 86.691 -12.081 -16.351 1.00 1.00 H new ATOM 0 HG21 ILE A 85 83.107 -11.647 -15.396 1.00 1.00 H new ATOM 0 HG22 ILE A 85 83.260 -12.373 -13.779 1.00 1.00 H new ATOM 0 HG23 ILE A 85 83.985 -10.782 -14.112 1.00 1.00 H new ATOM 0 HD11 ILE A 85 85.342 -10.800 -17.986 1.00 1.00 H new ATOM 0 HD12 ILE A 85 84.589 -12.378 -17.654 1.00 1.00 H new ATOM 0 HD13 ILE A 85 83.929 -10.903 -16.909 1.00 1.00 H new ATOM 1283 N ALA A 86 85.085 -11.443 -11.850 1.00 1.00 N ATOM 1284 CA ALA A 86 84.963 -10.336 -10.913 1.00 1.00 C ATOM 1285 C ALA A 86 85.808 -10.564 -9.650 1.00 1.00 C ATOM 1286 O ALA A 86 86.160 -9.627 -8.969 1.00 1.00 O ATOM 1287 CB ALA A 86 83.494 -10.159 -10.531 1.00 1.00 C ATOM 0 H ALA A 86 84.439 -12.214 -11.682 1.00 1.00 H new ATOM 0 HA ALA A 86 85.335 -9.435 -11.400 1.00 1.00 H new ATOM 0 HB1 ALA A 86 83.398 -9.331 -9.829 1.00 1.00 H new ATOM 0 HB2 ALA A 86 82.909 -9.946 -11.426 1.00 1.00 H new ATOM 0 HB3 ALA A 86 83.126 -11.073 -10.066 1.00 1.00 H new ATOM 1293 N GLU A 87 86.114 -11.810 -9.322 1.00 1.00 N ATOM 1294 CA GLU A 87 86.893 -12.098 -8.119 1.00 1.00 C ATOM 1295 C GLU A 87 88.201 -11.305 -8.142 1.00 1.00 C ATOM 1296 O GLU A 87 88.827 -11.077 -7.104 1.00 1.00 O ATOM 1297 CB GLU A 87 87.183 -13.602 -8.029 1.00 1.00 C ATOM 1298 CG GLU A 87 87.738 -13.948 -6.643 1.00 1.00 C ATOM 1299 CD GLU A 87 86.631 -13.858 -5.593 1.00 1.00 C ATOM 1300 OE1 GLU A 87 85.485 -13.689 -5.980 1.00 1.00 O ATOM 1301 OE2 GLU A 87 86.946 -13.967 -4.421 1.00 1.00 O ATOM 0 H GLU A 87 85.841 -12.631 -9.862 1.00 1.00 H new ATOM 0 HA GLU A 87 86.318 -11.800 -7.242 1.00 1.00 H new ATOM 0 HB2 GLU A 87 86.271 -14.168 -8.216 1.00 1.00 H new ATOM 0 HB3 GLU A 87 87.900 -13.889 -8.799 1.00 1.00 H new ATOM 0 HG2 GLU A 87 88.159 -14.953 -6.653 1.00 1.00 H new ATOM 0 HG3 GLU A 87 88.548 -13.265 -6.387 1.00 1.00 H new ATOM 1308 N ALA A 88 88.577 -10.847 -9.336 1.00 1.00 N ATOM 1309 CA ALA A 88 89.796 -10.037 -9.500 1.00 1.00 C ATOM 1310 C ALA A 88 89.507 -8.645 -8.988 1.00 1.00 C ATOM 1311 O ALA A 88 90.381 -7.791 -8.853 1.00 1.00 O ATOM 1312 CB ALA A 88 90.225 -9.988 -10.964 1.00 1.00 C ATOM 0 H ALA A 88 88.064 -11.018 -10.201 1.00 1.00 H new ATOM 0 HA ALA A 88 90.614 -10.484 -8.936 1.00 1.00 H new ATOM 0 HB1 ALA A 88 91.127 -9.384 -11.059 1.00 1.00 H new ATOM 0 HB2 ALA A 88 90.426 -10.999 -11.318 1.00 1.00 H new ATOM 0 HB3 ALA A 88 89.428 -9.546 -11.562 1.00 1.00 H new ATOM 1318 N VAL A 89 88.241 -8.490 -8.656 1.00 1.00 N ATOM 1319 CA VAL A 89 87.743 -7.261 -8.083 1.00 1.00 C ATOM 1320 C VAL A 89 87.959 -7.324 -6.574 1.00 1.00 C ATOM 1321 O VAL A 89 87.139 -6.804 -5.815 1.00 1.00 O ATOM 1322 CB VAL A 89 86.263 -6.929 -8.436 1.00 1.00 C ATOM 1323 CG1 VAL A 89 85.996 -7.153 -9.951 1.00 1.00 C ATOM 1324 CG2 VAL A 89 85.254 -7.730 -7.553 1.00 1.00 C ATOM 0 H VAL A 89 87.531 -9.213 -8.777 1.00 1.00 H new ATOM 0 HA VAL A 89 88.305 -6.439 -8.526 1.00 1.00 H new ATOM 0 HB VAL A 89 86.102 -5.874 -8.215 1.00 1.00 H new ATOM 0 HG11 VAL A 89 84.956 -6.915 -10.176 1.00 1.00 H new ATOM 0 HG12 VAL A 89 86.651 -6.507 -10.535 1.00 1.00 H new ATOM 0 HG13 VAL A 89 86.193 -8.194 -10.205 1.00 1.00 H new ATOM 0 HG21 VAL A 89 84.235 -7.466 -7.835 1.00 1.00 H new ATOM 0 HG22 VAL A 89 85.407 -8.799 -7.704 1.00 1.00 H new ATOM 0 HG23 VAL A 89 85.415 -7.485 -6.503 1.00 1.00 H new ATOM 1334 N GLY A 90 89.094 -7.936 -6.103 1.00 1.00 N ATOM 1335 CA GLY A 90 89.382 -8.002 -4.686 1.00 1.00 C ATOM 1336 C GLY A 90 89.418 -6.639 -4.011 1.00 1.00 C ATOM 1337 O GLY A 90 89.207 -6.609 -2.802 1.00 1.00 O ATOM 0 H GLY A 90 89.796 -8.375 -6.699 1.00 1.00 H new ATOM 0 HA2 GLY A 90 88.629 -8.621 -4.198 1.00 1.00 H new ATOM 0 HA3 GLY A 90 90.343 -8.496 -4.541 1.00 1.00 H new ATOM 1341 N PRO A 91 89.589 -5.505 -4.718 1.00 1.00 N ATOM 1342 CA PRO A 91 89.467 -4.136 -4.120 1.00 1.00 C ATOM 1343 C PRO A 91 88.401 -4.037 -3.013 1.00 1.00 C ATOM 1344 O PRO A 91 88.158 -2.959 -2.485 1.00 1.00 O ATOM 1345 CB PRO A 91 89.083 -3.240 -5.340 1.00 1.00 C ATOM 1346 CG PRO A 91 89.146 -4.143 -6.550 1.00 1.00 C ATOM 1347 CD PRO A 91 90.035 -5.308 -6.117 1.00 1.00 C ATOM 0 HA PRO A 91 90.390 -3.839 -3.623 1.00 1.00 H new ATOM 0 HB2 PRO A 91 88.085 -2.819 -5.217 1.00 1.00 H new ATOM 0 HB3 PRO A 91 89.772 -2.401 -5.442 1.00 1.00 H new ATOM 0 HG2 PRO A 91 88.153 -4.488 -6.839 1.00 1.00 H new ATOM 0 HG3 PRO A 91 89.566 -3.623 -7.411 1.00 1.00 H new ATOM 0 HD2 PRO A 91 89.876 -6.196 -6.729 1.00 1.00 H new ATOM 0 HD3 PRO A 91 91.095 -5.063 -6.180 1.00 1.00 H new ATOM 1355 N HIS A 92 87.763 -5.154 -2.656 1.00 1.00 N ATOM 1356 CA HIS A 92 86.759 -5.148 -1.620 1.00 1.00 C ATOM 1357 C HIS A 92 87.359 -4.365 -0.456 1.00 1.00 C ATOM 1358 O HIS A 92 86.648 -3.610 0.192 1.00 1.00 O ATOM 1359 CB HIS A 92 86.458 -6.609 -1.191 1.00 1.00 C ATOM 1360 CG HIS A 92 85.005 -6.782 -0.822 1.00 1.00 C ATOM 1361 ND1 HIS A 92 84.296 -7.917 -1.177 1.00 1.00 N ATOM 1362 CD2 HIS A 92 84.119 -5.987 -0.132 1.00 1.00 C ATOM 1363 CE1 HIS A 92 83.044 -7.779 -0.710 1.00 1.00 C ATOM 1364 NE2 HIS A 92 82.880 -6.621 -0.066 1.00 1.00 N ATOM 0 H HIS A 92 87.932 -6.068 -3.076 1.00 1.00 H new ATOM 0 HA HIS A 92 85.825 -4.697 -1.955 1.00 1.00 H new ATOM 0 HB2 HIS A 92 86.713 -7.289 -2.004 1.00 1.00 H new ATOM 0 HB3 HIS A 92 87.086 -6.878 -0.342 1.00 1.00 H new ATOM 0 HD2 HIS A 92 84.348 -5.021 0.293 1.00 1.00 H new ATOM 0 HE1 HIS A 92 82.265 -8.515 -0.840 1.00 1.00 H new ATOM 0 HE2 HIS A 92 82.030 -6.275 0.379 1.00 1.00 H new ATOM 1372 N LEU A 93 88.684 -4.473 -0.221 1.00 1.00 N ATOM 1373 CA LEU A 93 89.324 -3.683 0.822 1.00 1.00 C ATOM 1374 C LEU A 93 89.178 -2.200 0.472 1.00 1.00 C ATOM 1375 O LEU A 93 88.805 -1.381 1.299 1.00 1.00 O ATOM 1376 CB LEU A 93 90.816 -4.046 0.851 1.00 1.00 C ATOM 1377 CG LEU A 93 91.536 -3.362 2.043 1.00 1.00 C ATOM 1378 CD1 LEU A 93 91.509 -4.277 3.274 1.00 1.00 C ATOM 1379 CD2 LEU A 93 93.001 -3.085 1.675 1.00 1.00 C ATOM 0 H LEU A 93 89.312 -5.091 -0.735 1.00 1.00 H new ATOM 0 HA LEU A 93 88.867 -3.882 1.791 1.00 1.00 H new ATOM 0 HB2 LEU A 93 90.929 -5.128 0.927 1.00 1.00 H new ATOM 0 HB3 LEU A 93 91.285 -3.741 -0.084 1.00 1.00 H new ATOM 0 HG LEU A 93 91.021 -2.428 2.267 1.00 1.00 H new ATOM 0 HD11 LEU A 93 92.017 -3.786 4.104 1.00 1.00 H new ATOM 0 HD12 LEU A 93 90.475 -4.482 3.552 1.00 1.00 H new ATOM 0 HD13 LEU A 93 92.015 -5.214 3.042 1.00 1.00 H new ATOM 0 HD21 LEU A 93 93.503 -2.605 2.515 1.00 1.00 H new ATOM 0 HD22 LEU A 93 93.502 -4.025 1.443 1.00 1.00 H new ATOM 0 HD23 LEU A 93 93.040 -2.429 0.806 1.00 1.00 H new ATOM 1391 N ALA A 94 89.450 -1.866 -0.789 1.00 1.00 N ATOM 1392 CA ALA A 94 89.307 -0.475 -1.212 1.00 1.00 C ATOM 1393 C ALA A 94 87.893 -0.055 -0.833 1.00 1.00 C ATOM 1394 O ALA A 94 87.678 0.873 -0.054 1.00 1.00 O ATOM 1395 CB ALA A 94 89.532 -0.337 -2.730 1.00 1.00 C ATOM 0 H ALA A 94 89.760 -2.514 -1.513 1.00 1.00 H new ATOM 0 HA ALA A 94 90.048 0.161 -0.728 1.00 1.00 H new ATOM 0 HB1 ALA A 94 89.420 0.708 -3.021 1.00 1.00 H new ATOM 0 HB2 ALA A 94 90.536 -0.678 -2.981 1.00 1.00 H new ATOM 0 HB3 ALA A 94 88.799 -0.942 -3.263 1.00 1.00 H new ATOM 1401 N ARG A 95 86.938 -0.791 -1.369 1.00 1.00 N ATOM 1402 CA ARG A 95 85.530 -0.560 -1.082 1.00 1.00 C ATOM 1403 C ARG A 95 85.294 -0.682 0.425 1.00 1.00 C ATOM 1404 O ARG A 95 84.363 -0.085 0.961 1.00 1.00 O ATOM 1405 CB ARG A 95 84.687 -1.632 -1.810 1.00 1.00 C ATOM 1406 CG ARG A 95 84.208 -1.141 -3.183 1.00 1.00 C ATOM 1407 CD ARG A 95 85.383 -0.607 -4.000 1.00 1.00 C ATOM 1408 NE ARG A 95 85.064 -0.674 -5.422 1.00 1.00 N ATOM 1409 CZ ARG A 95 84.141 0.121 -5.957 1.00 1.00 C ATOM 1410 NH1 ARG A 95 83.536 1.008 -5.219 1.00 1.00 N ATOM 1411 NH2 ARG A 95 83.846 0.019 -7.225 1.00 1.00 N ATOM 0 H ARG A 95 87.112 -1.563 -2.013 1.00 1.00 H new ATOM 0 HA ARG A 95 85.244 0.436 -1.420 1.00 1.00 H new ATOM 0 HB2 ARG A 95 85.279 -2.539 -1.934 1.00 1.00 H new ATOM 0 HB3 ARG A 95 83.825 -1.896 -1.197 1.00 1.00 H new ATOM 0 HG2 ARG A 95 83.726 -1.958 -3.720 1.00 1.00 H new ATOM 0 HG3 ARG A 95 83.461 -0.358 -3.055 1.00 1.00 H new ATOM 0 HD2 ARG A 95 85.599 0.422 -3.714 1.00 1.00 H new ATOM 0 HD3 ARG A 95 86.279 -1.191 -3.791 1.00 1.00 H new ATOM 0 HE ARG A 95 85.557 -1.341 -6.016 1.00 1.00 H new ATOM 0 HH11 ARG A 95 83.770 1.094 -4.230 1.00 1.00 H new ATOM 0 HH12 ARG A 95 82.829 1.617 -5.630 1.00 1.00 H new ATOM 0 HH21 ARG A 95 84.323 -0.670 -7.806 1.00 1.00 H new ATOM 0 HH22 ARG A 95 83.138 0.629 -7.635 1.00 1.00 H new ATOM 1425 N ALA A 96 86.106 -1.516 1.090 1.00 1.00 N ATOM 1426 CA ALA A 96 85.888 -1.754 2.531 1.00 1.00 C ATOM 1427 C ALA A 96 85.874 -0.431 3.215 1.00 1.00 C ATOM 1428 O ALA A 96 85.004 -0.134 3.985 1.00 1.00 O ATOM 1429 CB ALA A 96 86.938 -2.663 3.162 1.00 1.00 C ATOM 0 H ALA A 96 86.890 -2.021 0.678 1.00 1.00 H new ATOM 0 HA ALA A 96 84.938 -2.275 2.649 1.00 1.00 H new ATOM 0 HB1 ALA A 96 86.716 -2.795 4.221 1.00 1.00 H new ATOM 0 HB2 ALA A 96 86.925 -3.633 2.665 1.00 1.00 H new ATOM 0 HB3 ALA A 96 87.924 -2.212 3.051 1.00 1.00 H new ATOM 1435 N LEU A 97 86.903 0.320 2.930 1.00 1.00 N ATOM 1436 CA LEU A 97 87.074 1.634 3.545 1.00 1.00 C ATOM 1437 C LEU A 97 85.653 2.261 3.754 1.00 1.00 C ATOM 1438 O LEU A 97 85.357 2.881 4.790 1.00 1.00 O ATOM 1439 CB LEU A 97 87.950 2.487 2.604 1.00 1.00 C ATOM 1440 CG LEU A 97 88.138 3.932 3.117 1.00 1.00 C ATOM 1441 CD1 LEU A 97 86.897 4.808 2.829 1.00 1.00 C ATOM 1442 CD2 LEU A 97 88.446 3.924 4.625 1.00 1.00 C ATOM 0 H LEU A 97 87.642 0.056 2.278 1.00 1.00 H new ATOM 0 HA LEU A 97 87.567 1.576 4.515 1.00 1.00 H new ATOM 0 HB2 LEU A 97 88.926 2.014 2.494 1.00 1.00 H new ATOM 0 HB3 LEU A 97 87.495 2.513 1.614 1.00 1.00 H new ATOM 0 HG LEU A 97 88.981 4.367 2.580 1.00 1.00 H new ATOM 0 HD11 LEU A 97 87.068 5.817 3.205 1.00 1.00 H new ATOM 0 HD12 LEU A 97 86.720 4.846 1.754 1.00 1.00 H new ATOM 0 HD13 LEU A 97 86.026 4.379 3.325 1.00 1.00 H new ATOM 0 HD21 LEU A 97 88.577 4.948 4.975 1.00 1.00 H new ATOM 0 HD22 LEU A 97 87.620 3.459 5.163 1.00 1.00 H new ATOM 0 HD23 LEU A 97 89.360 3.359 4.807 1.00 1.00 H new ATOM 1454 N GLY A 98 84.712 1.860 2.879 1.00 1.00 N ATOM 1455 CA GLY A 98 83.277 2.204 3.078 1.00 1.00 C ATOM 1456 C GLY A 98 82.532 1.129 3.928 1.00 1.00 C ATOM 1457 O GLY A 98 81.894 1.400 4.981 1.00 1.00 O ATOM 0 H GLY A 98 84.905 1.309 2.042 1.00 1.00 H new ATOM 0 HA2 GLY A 98 83.201 3.173 3.571 1.00 1.00 H new ATOM 0 HA3 GLY A 98 82.789 2.301 2.108 1.00 1.00 H new ATOM 1461 N GLN A 99 82.653 -0.114 3.472 1.00 1.00 N ATOM 1462 CA GLN A 99 82.054 -1.247 4.127 1.00 1.00 C ATOM 1463 C GLN A 99 82.887 -1.564 5.346 1.00 1.00 C ATOM 1464 O GLN A 99 82.662 -2.556 6.034 1.00 1.00 O ATOM 1465 CB GLN A 99 81.954 -2.459 3.180 1.00 1.00 C ATOM 1466 CG GLN A 99 81.660 -1.989 1.750 1.00 1.00 C ATOM 1467 CD GLN A 99 80.368 -1.184 1.730 1.00 1.00 C ATOM 1468 OE1 GLN A 99 80.399 0.040 1.604 1.00 1.00 O ATOM 1469 NE2 GLN A 99 79.225 -1.802 1.855 1.00 1.00 N ATOM 0 H GLN A 99 83.176 -0.354 2.630 1.00 1.00 H new ATOM 0 HA GLN A 99 81.032 -1.010 4.424 1.00 1.00 H new ATOM 0 HB2 GLN A 99 82.886 -3.024 3.201 1.00 1.00 H new ATOM 0 HB3 GLN A 99 81.166 -3.131 3.519 1.00 1.00 H new ATOM 0 HG2 GLN A 99 82.485 -1.380 1.380 1.00 1.00 H new ATOM 0 HG3 GLN A 99 81.575 -2.848 1.085 1.00 1.00 H new ATOM 0 HE21 GLN A 99 79.202 -2.816 1.959 1.00 1.00 H new ATOM 0 HE22 GLN A 99 78.354 -1.270 1.848 1.00 1.00 H new ATOM 1478 N ILE A 100 83.859 -0.696 5.623 1.00 1.00 N ATOM 1479 CA ILE A 100 84.736 -0.869 6.756 1.00 1.00 C ATOM 1480 C ILE A 100 83.916 -0.791 7.975 1.00 1.00 C ATOM 1481 O ILE A 100 83.975 -1.672 8.816 1.00 1.00 O ATOM 1482 CB ILE A 100 85.829 0.211 6.813 1.00 1.00 C ATOM 1483 CG1 ILE A 100 86.790 -0.095 7.964 1.00 1.00 C ATOM 1484 CG2 ILE A 100 85.218 1.593 7.056 1.00 1.00 C ATOM 1485 CD1 ILE A 100 88.014 0.831 7.899 1.00 1.00 C ATOM 0 H ILE A 100 84.051 0.137 5.067 1.00 1.00 H new ATOM 0 HA ILE A 100 85.236 -1.833 6.667 1.00 1.00 H new ATOM 0 HB ILE A 100 86.356 0.210 5.859 1.00 1.00 H new ATOM 0 HG12 ILE A 100 86.278 0.034 8.918 1.00 1.00 H new ATOM 0 HG13 ILE A 100 87.110 -1.136 7.912 1.00 1.00 H new ATOM 0 HG21 ILE A 100 86.011 2.340 7.092 1.00 1.00 H new ATOM 0 HG22 ILE A 100 84.529 1.834 6.246 1.00 1.00 H new ATOM 0 HG23 ILE A 100 84.678 1.591 8.003 1.00 1.00 H new ATOM 0 HD11 ILE A 100 88.688 0.601 8.724 1.00 1.00 H new ATOM 0 HD12 ILE A 100 88.534 0.681 6.953 1.00 1.00 H new ATOM 0 HD13 ILE A 100 87.689 1.869 7.974 1.00 1.00 H new ATOM 1497 N VAL A 101 83.107 0.248 8.084 1.00 1.00 N ATOM 1498 CA VAL A 101 82.259 0.342 9.265 1.00 1.00 C ATOM 1499 C VAL A 101 81.522 -0.972 9.398 1.00 1.00 C ATOM 1500 O VAL A 101 81.600 -1.645 10.403 1.00 1.00 O ATOM 1501 CB VAL A 101 81.248 1.487 9.098 1.00 1.00 C ATOM 1502 CG1 VAL A 101 80.236 1.481 10.256 1.00 1.00 C ATOM 1503 CG2 VAL A 101 82.003 2.816 9.095 1.00 1.00 C ATOM 0 H VAL A 101 83.017 1.006 7.407 1.00 1.00 H new ATOM 0 HA VAL A 101 82.860 0.543 10.152 1.00 1.00 H new ATOM 0 HB VAL A 101 80.709 1.356 8.160 1.00 1.00 H new ATOM 0 HG11 VAL A 101 79.527 2.298 10.123 1.00 1.00 H new ATOM 0 HG12 VAL A 101 79.699 0.532 10.265 1.00 1.00 H new ATOM 0 HG13 VAL A 101 80.764 1.609 11.201 1.00 1.00 H new ATOM 0 HG21 VAL A 101 81.295 3.636 8.977 1.00 1.00 H new ATOM 0 HG22 VAL A 101 82.539 2.932 10.037 1.00 1.00 H new ATOM 0 HG23 VAL A 101 82.714 2.829 8.269 1.00 1.00 H new ATOM 1513 N CYS A 102 80.756 -1.290 8.389 1.00 1.00 N ATOM 1514 CA CYS A 102 79.948 -2.492 8.436 1.00 1.00 C ATOM 1515 C CYS A 102 80.802 -3.732 8.762 1.00 1.00 C ATOM 1516 O CYS A 102 80.301 -4.691 9.323 1.00 1.00 O ATOM 1517 CB CYS A 102 79.229 -2.635 7.071 1.00 1.00 C ATOM 1518 SG CYS A 102 79.078 -4.374 6.584 1.00 1.00 S ATOM 0 H CYS A 102 80.670 -0.745 7.531 1.00 1.00 H new ATOM 0 HA CYS A 102 79.210 -2.415 9.235 1.00 1.00 H new ATOM 0 HB2 CYS A 102 78.238 -2.185 7.131 1.00 1.00 H new ATOM 0 HB3 CYS A 102 79.782 -2.088 6.307 1.00 1.00 H new ATOM 1523 N ARG A 103 82.087 -3.651 8.436 1.00 1.00 N ATOM 1524 CA ARG A 103 83.055 -4.758 8.666 1.00 1.00 C ATOM 1525 C ARG A 103 83.640 -4.770 10.088 1.00 1.00 C ATOM 1526 O ARG A 103 83.590 -5.762 10.813 1.00 1.00 O ATOM 1527 CB ARG A 103 84.202 -4.573 7.673 1.00 1.00 C ATOM 1528 CG ARG A 103 85.129 -5.783 7.649 1.00 1.00 C ATOM 1529 CD ARG A 103 86.343 -5.449 6.772 1.00 1.00 C ATOM 1530 NE ARG A 103 85.902 -4.907 5.489 1.00 1.00 N ATOM 1531 CZ ARG A 103 85.480 -5.698 4.511 1.00 1.00 C ATOM 1532 NH1 ARG A 103 85.482 -6.990 4.677 1.00 1.00 N ATOM 1533 NH2 ARG A 103 85.074 -5.181 3.381 1.00 1.00 N ATOM 0 H ARG A 103 82.503 -2.825 8.005 1.00 1.00 H new ATOM 0 HA ARG A 103 82.526 -5.702 8.533 1.00 1.00 H new ATOM 0 HB2 ARG A 103 83.796 -4.406 6.675 1.00 1.00 H new ATOM 0 HB3 ARG A 103 84.773 -3.683 7.938 1.00 1.00 H new ATOM 0 HG2 ARG A 103 85.450 -6.035 8.660 1.00 1.00 H new ATOM 0 HG3 ARG A 103 84.605 -6.654 7.255 1.00 1.00 H new ATOM 0 HD2 ARG A 103 86.981 -4.726 7.281 1.00 1.00 H new ATOM 0 HD3 ARG A 103 86.942 -6.345 6.610 1.00 1.00 H new ATOM 0 HE ARG A 103 85.919 -3.898 5.342 1.00 1.00 H new ATOM 0 HH11 ARG A 103 85.807 -7.391 5.557 1.00 1.00 H new ATOM 0 HH12 ARG A 103 85.158 -7.601 3.927 1.00 1.00 H new ATOM 0 HH21 ARG A 103 85.082 -4.169 3.251 1.00 1.00 H new ATOM 0 HH22 ARG A 103 84.750 -5.789 2.629 1.00 1.00 H new ATOM 1547 N TYR A 104 84.135 -3.615 10.428 1.00 1.00 N ATOM 1548 CA TYR A 104 84.727 -3.250 11.704 1.00 1.00 C ATOM 1549 C TYR A 104 83.631 -2.575 12.522 1.00 1.00 C ATOM 1550 O TYR A 104 83.908 -1.846 13.476 1.00 1.00 O ATOM 1551 CB TYR A 104 85.992 -2.360 11.502 1.00 1.00 C ATOM 1552 CG TYR A 104 85.842 -1.020 12.196 1.00 1.00 C ATOM 1553 CD1 TYR A 104 85.155 -0.006 11.547 1.00 1.00 C ATOM 1554 CD2 TYR A 104 86.339 -0.815 13.490 1.00 1.00 C ATOM 1555 CE1 TYR A 104 84.957 1.231 12.167 1.00 1.00 C ATOM 1556 CE2 TYR A 104 86.137 0.421 14.125 1.00 1.00 C ATOM 1557 CZ TYR A 104 85.445 1.447 13.460 1.00 1.00 C ATOM 1558 OH TYR A 104 85.237 2.665 14.077 1.00 1.00 O ATOM 0 H TYR A 104 84.140 -2.833 9.773 1.00 1.00 H new ATOM 0 HA TYR A 104 85.089 -4.125 12.245 1.00 1.00 H new ATOM 0 HB2 TYR A 104 86.869 -2.877 11.892 1.00 1.00 H new ATOM 0 HB3 TYR A 104 86.162 -2.203 10.437 1.00 1.00 H new ATOM 0 HD1 TYR A 104 84.769 -0.173 10.552 1.00 1.00 H new ATOM 0 HD2 TYR A 104 86.875 -1.604 13.997 1.00 1.00 H new ATOM 0 HE1 TYR A 104 84.429 2.018 11.649 1.00 1.00 H new ATOM 0 HE2 TYR A 104 86.513 0.583 15.124 1.00 1.00 H new ATOM 0 HH TYR A 104 85.638 2.651 14.971 1.00 1.00 H new ATOM 1568 N GLY A 105 82.371 -2.841 12.179 1.00 1.00 N ATOM 1569 CA GLY A 105 81.258 -2.266 12.907 1.00 1.00 C ATOM 1570 C GLY A 105 80.003 -3.107 12.666 1.00 1.00 C ATOM 1571 O GLY A 105 79.768 -4.100 13.354 1.00 1.00 O ATOM 0 H GLY A 105 82.104 -3.449 11.405 1.00 1.00 H new ATOM 0 HA2 GLY A 105 81.486 -2.230 13.972 1.00 1.00 H new ATOM 0 HA3 GLY A 105 81.089 -1.239 12.583 1.00 1.00 H new ATOM 1575 N ALA A 106 79.168 -2.660 11.732 1.00 1.00 N ATOM 1576 CA ALA A 106 77.898 -3.315 11.454 1.00 1.00 C ATOM 1577 C ALA A 106 77.037 -3.287 12.717 1.00 1.00 C ATOM 1578 O ALA A 106 77.368 -3.940 13.706 1.00 1.00 O ATOM 1579 CB ALA A 106 78.108 -4.769 10.973 1.00 1.00 C ATOM 0 H ALA A 106 79.352 -1.841 11.153 1.00 1.00 H new ATOM 0 HA ALA A 106 77.392 -2.778 10.652 1.00 1.00 H new ATOM 0 HB1 ALA A 106 77.140 -5.230 10.774 1.00 1.00 H new ATOM 0 HB2 ALA A 106 78.704 -4.768 10.060 1.00 1.00 H new ATOM 0 HB3 ALA A 106 78.628 -5.336 11.745 1.00 1.00 H new ATOM 1585 N THR A 107 75.909 -2.560 12.672 1.00 1.00 N ATOM 1586 CA THR A 107 74.981 -2.495 13.800 1.00 1.00 C ATOM 1587 C THR A 107 73.585 -2.703 13.233 1.00 1.00 C ATOM 1588 O THR A 107 72.888 -3.583 13.641 1.00 1.00 O ATOM 1589 CB THR A 107 75.048 -1.152 14.536 1.00 1.00 C ATOM 1590 OG1 THR A 107 76.403 -0.840 14.840 1.00 1.00 O ATOM 1591 CG2 THR A 107 74.241 -1.267 15.836 1.00 1.00 C ATOM 0 H THR A 107 75.622 -2.010 11.862 1.00 1.00 H new ATOM 0 HA THR A 107 75.244 -3.260 14.531 1.00 1.00 H new ATOM 0 HB THR A 107 74.635 -0.362 13.909 1.00 1.00 H new ATOM 0 HG1 THR A 107 76.443 0.020 15.309 1.00 1.00 H new ATOM 0 HG21 THR A 107 74.278 -0.319 16.373 1.00 1.00 H new ATOM 0 HG22 THR A 107 73.205 -1.510 15.601 1.00 1.00 H new ATOM 0 HG23 THR A 107 74.666 -2.054 16.460 1.00 1.00 H new ATOM 1599 N VAL A 108 73.136 -1.826 12.358 1.00 1.00 N ATOM 1600 CA VAL A 108 71.803 -1.951 11.814 1.00 1.00 C ATOM 1601 C VAL A 108 71.760 -3.133 10.860 1.00 1.00 C ATOM 1602 O VAL A 108 70.967 -3.124 9.921 1.00 1.00 O ATOM 1603 CB VAL A 108 71.374 -0.670 11.091 1.00 1.00 C ATOM 1604 CG1 VAL A 108 71.401 0.497 12.077 1.00 1.00 C ATOM 1605 CG2 VAL A 108 72.325 -0.380 9.918 1.00 1.00 C ATOM 0 H VAL A 108 73.669 -1.028 12.013 1.00 1.00 H new ATOM 0 HA VAL A 108 71.106 -2.115 12.635 1.00 1.00 H new ATOM 0 HB VAL A 108 70.364 -0.798 10.701 1.00 1.00 H new ATOM 0 HG11 VAL A 108 71.096 1.411 11.567 1.00 1.00 H new ATOM 0 HG12 VAL A 108 70.715 0.294 12.899 1.00 1.00 H new ATOM 0 HG13 VAL A 108 72.411 0.619 12.469 1.00 1.00 H new ATOM 0 HG21 VAL A 108 72.010 0.533 9.412 1.00 1.00 H new ATOM 0 HG22 VAL A 108 73.340 -0.254 10.295 1.00 1.00 H new ATOM 0 HG23 VAL A 108 72.300 -1.212 9.215 1.00 1.00 H new ATOM 1615 N ILE A 109 72.580 -4.189 11.097 1.00 1.00 N ATOM 1616 CA ILE A 109 72.561 -5.388 10.240 1.00 1.00 C ATOM 1617 C ILE A 109 71.998 -6.618 11.017 1.00 1.00 C ATOM 1618 O ILE A 109 71.236 -7.391 10.446 1.00 1.00 O ATOM 1619 CB ILE A 109 73.978 -5.648 9.610 1.00 1.00 C ATOM 1620 CG1 ILE A 109 74.609 -6.975 10.106 1.00 1.00 C ATOM 1621 CG2 ILE A 109 74.908 -4.464 9.920 1.00 1.00 C ATOM 1622 CD1 ILE A 109 75.980 -7.230 9.432 1.00 1.00 C ATOM 0 H ILE A 109 73.251 -4.229 11.864 1.00 1.00 H new ATOM 0 HA ILE A 109 71.881 -5.216 9.406 1.00 1.00 H new ATOM 0 HB ILE A 109 73.849 -5.741 8.532 1.00 1.00 H new ATOM 0 HG12 ILE A 109 74.734 -6.939 11.188 1.00 1.00 H new ATOM 0 HG13 ILE A 109 73.935 -7.804 9.890 1.00 1.00 H new ATOM 0 HG21 ILE A 109 75.889 -4.648 9.482 1.00 1.00 H new ATOM 0 HG22 ILE A 109 74.487 -3.551 9.499 1.00 1.00 H new ATOM 0 HG23 ILE A 109 75.008 -4.353 11.000 1.00 1.00 H new ATOM 0 HD11 ILE A 109 76.397 -8.167 9.800 1.00 1.00 H new ATOM 0 HD12 ILE A 109 75.849 -7.290 8.352 1.00 1.00 H new ATOM 0 HD13 ILE A 109 76.660 -6.412 9.670 1.00 1.00 H new ATOM 1634 N PRO A 110 72.334 -6.831 12.298 1.00 1.00 N ATOM 1635 CA PRO A 110 71.815 -7.992 13.085 1.00 1.00 C ATOM 1636 C PRO A 110 70.295 -7.906 13.295 1.00 1.00 C ATOM 1637 O PRO A 110 69.635 -8.919 13.537 1.00 1.00 O ATOM 1638 CB PRO A 110 72.567 -7.911 14.427 1.00 1.00 C ATOM 1639 CG PRO A 110 73.755 -7.085 14.108 1.00 1.00 C ATOM 1640 CD PRO A 110 73.196 -6.038 13.166 1.00 1.00 C ATOM 0 HA PRO A 110 71.980 -8.938 12.570 1.00 1.00 H new ATOM 0 HB2 PRO A 110 71.955 -7.451 15.203 1.00 1.00 H new ATOM 0 HB3 PRO A 110 72.851 -8.899 14.789 1.00 1.00 H new ATOM 0 HG2 PRO A 110 74.186 -6.635 15.002 1.00 1.00 H new ATOM 0 HG3 PRO A 110 74.542 -7.674 13.637 1.00 1.00 H new ATOM 0 HD2 PRO A 110 72.639 -5.267 13.699 1.00 1.00 H new ATOM 0 HD3 PRO A 110 73.983 -5.533 12.606 1.00 1.00 H new ATOM 1648 N ASN A 111 69.735 -6.693 13.229 1.00 1.00 N ATOM 1649 CA ASN A 111 68.298 -6.553 13.435 1.00 1.00 C ATOM 1650 C ASN A 111 67.555 -7.242 12.282 1.00 1.00 C ATOM 1651 O ASN A 111 66.900 -8.263 12.493 1.00 1.00 O ATOM 1652 CB ASN A 111 67.922 -5.051 13.580 1.00 1.00 C ATOM 1653 CG ASN A 111 67.274 -4.482 12.318 1.00 1.00 C ATOM 1654 OD1 ASN A 111 67.926 -3.776 11.548 1.00 1.00 O ATOM 1655 ND2 ASN A 111 66.023 -4.750 12.056 1.00 1.00 N ATOM 0 H ASN A 111 70.237 -5.825 13.041 1.00 1.00 H new ATOM 0 HA ASN A 111 67.997 -7.041 14.362 1.00 1.00 H new ATOM 0 HB2 ASN A 111 67.238 -4.931 14.420 1.00 1.00 H new ATOM 0 HB3 ASN A 111 68.819 -4.477 13.814 1.00 1.00 H new ATOM 0 HD21 ASN A 111 65.587 -4.375 11.214 1.00 1.00 H new ATOM 0 HD22 ASN A 111 65.482 -5.335 12.693 1.00 1.00 H new ATOM 1662 N ILE A 112 67.673 -6.710 11.061 1.00 1.00 N ATOM 1663 CA ILE A 112 67.021 -7.318 9.907 1.00 1.00 C ATOM 1664 C ILE A 112 67.393 -8.776 9.841 1.00 1.00 C ATOM 1665 O ILE A 112 66.637 -9.618 9.403 1.00 1.00 O ATOM 1666 CB ILE A 112 67.512 -6.606 8.636 1.00 1.00 C ATOM 1667 CG1 ILE A 112 67.169 -7.435 7.353 1.00 1.00 C ATOM 1668 CG2 ILE A 112 69.024 -6.363 8.740 1.00 1.00 C ATOM 1669 CD1 ILE A 112 68.384 -8.235 6.850 1.00 1.00 C ATOM 0 H ILE A 112 68.209 -5.868 10.852 1.00 1.00 H new ATOM 0 HA ILE A 112 65.938 -7.224 9.992 1.00 1.00 H new ATOM 0 HB ILE A 112 66.999 -5.648 8.550 1.00 1.00 H new ATOM 0 HG12 ILE A 112 66.348 -8.118 7.570 1.00 1.00 H new ATOM 0 HG13 ILE A 112 66.825 -6.763 6.567 1.00 1.00 H new ATOM 0 HG21 ILE A 112 69.374 -5.858 7.840 1.00 1.00 H new ATOM 0 HG22 ILE A 112 69.233 -5.740 9.610 1.00 1.00 H new ATOM 0 HG23 ILE A 112 69.540 -7.318 8.844 1.00 1.00 H new ATOM 0 HD11 ILE A 112 68.106 -8.797 5.958 1.00 1.00 H new ATOM 0 HD12 ILE A 112 69.196 -7.549 6.608 1.00 1.00 H new ATOM 0 HD13 ILE A 112 68.712 -8.926 7.627 1.00 1.00 H new ATOM 1681 N ASN A 113 68.587 -9.022 10.282 1.00 1.00 N ATOM 1682 CA ASN A 113 69.104 -10.382 10.267 1.00 1.00 C ATOM 1683 C ASN A 113 68.125 -11.251 11.023 1.00 1.00 C ATOM 1684 O ASN A 113 67.629 -12.221 10.467 1.00 1.00 O ATOM 1685 CB ASN A 113 70.501 -10.505 10.859 1.00 1.00 C ATOM 1686 CG ASN A 113 71.565 -10.226 9.796 1.00 1.00 C ATOM 1687 OD1 ASN A 113 71.281 -9.579 8.784 1.00 1.00 O ATOM 1688 ND2 ASN A 113 72.771 -10.699 9.952 1.00 1.00 N ATOM 0 H ASN A 113 69.226 -8.319 10.655 1.00 1.00 H new ATOM 0 HA ASN A 113 69.202 -10.704 9.230 1.00 1.00 H new ATOM 0 HB2 ASN A 113 70.614 -9.804 11.686 1.00 1.00 H new ATOM 0 HB3 ASN A 113 70.641 -11.506 11.267 1.00 1.00 H new ATOM 0 HD21 ASN A 113 73.480 -10.534 9.237 1.00 1.00 H new ATOM 0 HD22 ASN A 113 73.005 -11.234 10.789 1.00 1.00 H new ATOM 1695 N ALA A 114 67.800 -10.918 12.274 1.00 1.00 N ATOM 1696 CA ALA A 114 66.851 -11.725 12.996 1.00 1.00 C ATOM 1697 C ALA A 114 65.513 -11.748 12.292 1.00 1.00 C ATOM 1698 O ALA A 114 64.792 -12.747 12.389 1.00 1.00 O ATOM 1699 CB ALA A 114 66.667 -11.183 14.420 1.00 1.00 C ATOM 0 H ALA A 114 68.174 -10.118 12.784 1.00 1.00 H new ATOM 0 HA ALA A 114 67.242 -12.741 13.040 1.00 1.00 H new ATOM 0 HB1 ALA A 114 65.947 -11.802 14.955 1.00 1.00 H new ATOM 0 HB2 ALA A 114 67.623 -11.204 14.943 1.00 1.00 H new ATOM 0 HB3 ALA A 114 66.300 -10.158 14.374 1.00 1.00 H new ATOM 1705 N ALA A 115 65.155 -10.682 11.557 1.00 1.00 N ATOM 1706 CA ALA A 115 63.886 -10.691 10.854 1.00 1.00 C ATOM 1707 C ALA A 115 63.997 -11.531 9.587 1.00 1.00 C ATOM 1708 O ALA A 115 63.264 -12.495 9.427 1.00 1.00 O ATOM 1709 CB ALA A 115 63.477 -9.259 10.489 1.00 1.00 C ATOM 0 H ALA A 115 65.713 -9.836 11.443 1.00 1.00 H new ATOM 0 HA ALA A 115 63.127 -11.125 11.506 1.00 1.00 H new ATOM 0 HB1 ALA A 115 62.523 -9.276 9.962 1.00 1.00 H new ATOM 0 HB2 ALA A 115 63.378 -8.666 11.398 1.00 1.00 H new ATOM 0 HB3 ALA A 115 64.238 -8.815 9.847 1.00 1.00 H new ATOM 1715 N ILE A 116 64.906 -11.165 8.662 1.00 1.00 N ATOM 1716 CA ILE A 116 65.051 -11.913 7.418 1.00 1.00 C ATOM 1717 C ILE A 116 65.195 -13.368 7.742 1.00 1.00 C ATOM 1718 O ILE A 116 64.534 -14.213 7.167 1.00 1.00 O ATOM 1719 CB ILE A 116 66.291 -11.369 6.645 1.00 1.00 C ATOM 1720 CG1 ILE A 116 66.029 -11.392 5.123 1.00 1.00 C ATOM 1721 CG2 ILE A 116 67.587 -12.170 6.940 1.00 1.00 C ATOM 1722 CD1 ILE A 116 65.251 -10.138 4.702 1.00 1.00 C ATOM 0 H ILE A 116 65.536 -10.369 8.758 1.00 1.00 H new ATOM 0 HA ILE A 116 64.174 -11.791 6.783 1.00 1.00 H new ATOM 0 HB ILE A 116 66.442 -10.347 6.993 1.00 1.00 H new ATOM 0 HG12 ILE A 116 66.975 -11.440 4.584 1.00 1.00 H new ATOM 0 HG13 ILE A 116 65.465 -12.286 4.857 1.00 1.00 H new ATOM 0 HG21 ILE A 116 68.415 -11.744 6.373 1.00 1.00 H new ATOM 0 HG22 ILE A 116 67.812 -12.119 8.005 1.00 1.00 H new ATOM 0 HG23 ILE A 116 67.446 -13.211 6.649 1.00 1.00 H new ATOM 0 HD11 ILE A 116 65.072 -10.165 3.627 1.00 1.00 H new ATOM 0 HD12 ILE A 116 64.297 -10.108 5.228 1.00 1.00 H new ATOM 0 HD13 ILE A 116 65.831 -9.249 4.951 1.00 1.00 H new ATOM 1734 N GLU A 117 66.081 -13.612 8.685 1.00 1.00 N ATOM 1735 CA GLU A 117 66.331 -14.987 9.127 1.00 1.00 C ATOM 1736 C GLU A 117 64.955 -15.647 9.137 1.00 1.00 C ATOM 1737 O GLU A 117 64.700 -16.587 8.402 1.00 1.00 O ATOM 1738 CB GLU A 117 67.028 -15.061 10.493 1.00 1.00 C ATOM 1739 CG GLU A 117 68.549 -14.993 10.289 1.00 1.00 C ATOM 1740 CD GLU A 117 69.264 -15.070 11.634 1.00 1.00 C ATOM 1741 OE1 GLU A 117 68.592 -15.299 12.625 1.00 1.00 O ATOM 1742 OE2 GLU A 117 70.474 -14.898 11.653 1.00 1.00 O ATOM 0 H GLU A 117 66.635 -12.899 9.158 1.00 1.00 H new ATOM 0 HA GLU A 117 67.024 -15.500 8.460 1.00 1.00 H new ATOM 0 HB2 GLU A 117 66.697 -14.239 11.128 1.00 1.00 H new ATOM 0 HB3 GLU A 117 66.758 -15.986 11.002 1.00 1.00 H new ATOM 0 HG2 GLU A 117 68.874 -15.813 9.648 1.00 1.00 H new ATOM 0 HG3 GLU A 117 68.814 -14.066 9.780 1.00 1.00 H new ATOM 1749 N VAL A 118 64.054 -15.075 9.913 1.00 1.00 N ATOM 1750 CA VAL A 118 62.687 -15.595 9.938 1.00 1.00 C ATOM 1751 C VAL A 118 62.099 -15.536 8.513 1.00 1.00 C ATOM 1752 O VAL A 118 61.576 -16.533 8.022 1.00 1.00 O ATOM 1753 CB VAL A 118 61.807 -14.791 10.910 1.00 1.00 C ATOM 1754 CG1 VAL A 118 60.371 -15.343 10.879 1.00 1.00 C ATOM 1755 CG2 VAL A 118 62.376 -14.907 12.330 1.00 1.00 C ATOM 0 H VAL A 118 64.228 -14.274 10.520 1.00 1.00 H new ATOM 0 HA VAL A 118 62.708 -16.628 10.286 1.00 1.00 H new ATOM 0 HB VAL A 118 61.796 -13.743 10.611 1.00 1.00 H new ATOM 0 HG11 VAL A 118 59.747 -14.773 11.568 1.00 1.00 H new ATOM 0 HG12 VAL A 118 59.970 -15.256 9.869 1.00 1.00 H new ATOM 0 HG13 VAL A 118 60.378 -16.391 11.178 1.00 1.00 H new ATOM 0 HG21 VAL A 118 61.753 -14.337 13.019 1.00 1.00 H new ATOM 0 HG22 VAL A 118 62.388 -15.954 12.633 1.00 1.00 H new ATOM 0 HG23 VAL A 118 63.392 -14.512 12.348 1.00 1.00 H new ATOM 1765 N LEU A 119 62.165 -14.361 7.861 1.00 1.00 N ATOM 1766 CA LEU A 119 61.582 -14.276 6.514 1.00 1.00 C ATOM 1767 C LEU A 119 62.245 -15.353 5.653 1.00 1.00 C ATOM 1768 O LEU A 119 61.604 -16.345 5.307 1.00 1.00 O ATOM 1769 CB LEU A 119 61.805 -12.877 5.910 1.00 1.00 C ATOM 1770 CG LEU A 119 60.721 -12.548 4.864 1.00 1.00 C ATOM 1771 CD1 LEU A 119 60.702 -13.635 3.787 1.00 1.00 C ATOM 1772 CD2 LEU A 119 59.329 -12.429 5.524 1.00 1.00 C ATOM 0 H LEU A 119 62.590 -13.505 8.219 1.00 1.00 H new ATOM 0 HA LEU A 119 60.505 -14.438 6.557 1.00 1.00 H new ATOM 0 HB2 LEU A 119 61.790 -12.128 6.702 1.00 1.00 H new ATOM 0 HB3 LEU A 119 62.790 -12.830 5.445 1.00 1.00 H new ATOM 0 HG LEU A 119 60.960 -11.587 4.408 1.00 1.00 H new ATOM 0 HD11 LEU A 119 59.935 -13.402 3.048 1.00 1.00 H new ATOM 0 HD12 LEU A 119 61.675 -13.680 3.298 1.00 1.00 H new ATOM 0 HD13 LEU A 119 60.482 -14.599 4.246 1.00 1.00 H new ATOM 0 HD21 LEU A 119 58.584 -12.196 4.763 1.00 1.00 H new ATOM 0 HD22 LEU A 119 59.073 -13.373 6.006 1.00 1.00 H new ATOM 0 HD23 LEU A 119 59.347 -11.634 6.269 1.00 1.00 H new ATOM 1784 N GLY A 120 63.525 -15.185 5.332 1.00 1.00 N ATOM 1785 CA GLY A 120 64.197 -16.204 4.550 1.00 1.00 C ATOM 1786 C GLY A 120 64.455 -17.479 5.392 1.00 1.00 C ATOM 1787 O GLY A 120 63.685 -18.439 5.363 1.00 1.00 O ATOM 0 H GLY A 120 64.096 -14.381 5.593 1.00 1.00 H new ATOM 0 HA2 GLY A 120 63.591 -16.456 3.680 1.00 1.00 H new ATOM 0 HA3 GLY A 120 65.144 -15.814 4.177 1.00 1.00 H new ATOM 1791 N THR A 121 65.573 -17.431 6.109 1.00 1.00 N ATOM 1792 CA THR A 121 66.063 -18.533 6.978 1.00 1.00 C ATOM 1793 C THR A 121 67.558 -18.423 7.317 1.00 1.00 C ATOM 1794 O THR A 121 68.001 -18.948 8.342 1.00 1.00 O ATOM 1795 CB THR A 121 65.834 -19.901 6.316 1.00 1.00 C ATOM 1796 OG1 THR A 121 66.572 -20.877 7.036 1.00 1.00 O ATOM 1797 CG2 THR A 121 66.308 -19.904 4.858 1.00 1.00 C ATOM 0 H THR A 121 66.187 -16.616 6.113 1.00 1.00 H new ATOM 0 HA THR A 121 65.489 -18.443 7.901 1.00 1.00 H new ATOM 0 HB THR A 121 64.766 -20.120 6.330 1.00 1.00 H new ATOM 0 HG1 THR A 121 67.314 -21.200 6.483 1.00 1.00 H new ATOM 0 HG21 THR A 121 66.131 -20.886 4.420 1.00 1.00 H new ATOM 0 HG22 THR A 121 65.757 -19.151 4.295 1.00 1.00 H new ATOM 0 HG23 THR A 121 67.373 -19.677 4.821 1.00 1.00 H new ATOM 1805 N GLY A 122 68.339 -17.796 6.436 1.00 1.00 N ATOM 1806 CA GLY A 122 69.797 -17.683 6.639 1.00 1.00 C ATOM 1807 C GLY A 122 70.468 -18.789 5.836 1.00 1.00 C ATOM 1808 O GLY A 122 71.630 -18.709 5.454 1.00 1.00 O ATOM 0 H GLY A 122 67.997 -17.360 5.580 1.00 1.00 H new ATOM 0 HA2 GLY A 122 70.153 -16.705 6.314 1.00 1.00 H new ATOM 0 HA3 GLY A 122 70.043 -17.776 7.697 1.00 1.00 H new ATOM 1812 N THR A 123 69.638 -19.790 5.572 1.00 1.00 N ATOM 1813 CA THR A 123 70.062 -20.939 4.764 1.00 1.00 C ATOM 1814 C THR A 123 70.750 -20.334 3.534 1.00 1.00 C ATOM 1815 O THR A 123 70.123 -20.060 2.517 1.00 1.00 O ATOM 1816 CB THR A 123 68.890 -21.832 4.354 1.00 1.00 C ATOM 1817 OG1 THR A 123 68.047 -22.061 5.475 1.00 1.00 O ATOM 1818 CG2 THR A 123 69.423 -23.168 3.828 1.00 1.00 C ATOM 0 H THR A 123 68.673 -19.835 5.900 1.00 1.00 H new ATOM 0 HA THR A 123 70.727 -21.589 5.333 1.00 1.00 H new ATOM 0 HB THR A 123 68.317 -21.338 3.570 1.00 1.00 H new ATOM 0 HG1 THR A 123 67.296 -22.632 5.209 1.00 1.00 H new ATOM 0 HG21 THR A 123 68.587 -23.804 3.536 1.00 1.00 H new ATOM 0 HG22 THR A 123 70.062 -22.990 2.963 1.00 1.00 H new ATOM 0 HG23 THR A 123 69.999 -23.663 4.610 1.00 1.00 H new ATOM 1826 N ASP A 124 72.057 -20.121 3.672 1.00 1.00 N ATOM 1827 CA ASP A 124 72.854 -19.542 2.600 1.00 1.00 C ATOM 1828 C ASP A 124 74.352 -19.695 2.843 1.00 1.00 C ATOM 1829 O ASP A 124 74.787 -20.126 3.911 1.00 1.00 O ATOM 1830 CB ASP A 124 72.505 -18.061 2.459 1.00 1.00 C ATOM 1831 CG ASP A 124 73.281 -17.444 1.298 1.00 1.00 C ATOM 1832 OD1 ASP A 124 72.876 -17.651 0.166 1.00 1.00 O ATOM 1833 OD2 ASP A 124 74.266 -16.776 1.560 1.00 1.00 O ATOM 0 H ASP A 124 72.584 -20.342 4.517 1.00 1.00 H new ATOM 0 HA ASP A 124 72.618 -20.080 1.682 1.00 1.00 H new ATOM 0 HB2 ASP A 124 71.434 -17.947 2.291 1.00 1.00 H new ATOM 0 HB3 ASP A 124 72.741 -17.535 3.384 1.00 1.00 H new ATOM 1838 N TYR A 125 75.131 -19.267 1.853 1.00 1.00 N ATOM 1839 CA TYR A 125 76.583 -19.274 1.949 1.00 1.00 C ATOM 1840 C TYR A 125 77.143 -18.078 1.171 1.00 1.00 C ATOM 1841 O TYR A 125 76.611 -17.696 0.130 1.00 1.00 O ATOM 1842 CB TYR A 125 77.159 -20.585 1.408 1.00 1.00 C ATOM 1843 CG TYR A 125 78.653 -20.444 1.231 1.00 1.00 C ATOM 1844 CD1 TYR A 125 79.504 -20.525 2.341 1.00 1.00 C ATOM 1845 CD2 TYR A 125 79.184 -20.218 -0.043 1.00 1.00 C ATOM 1846 CE1 TYR A 125 80.886 -20.379 2.172 1.00 1.00 C ATOM 1847 CE2 TYR A 125 80.563 -20.075 -0.211 1.00 1.00 C ATOM 1848 CZ TYR A 125 81.414 -20.154 0.894 1.00 1.00 C ATOM 1849 OH TYR A 125 82.774 -20.008 0.724 1.00 1.00 O ATOM 0 H TYR A 125 74.774 -18.908 0.968 1.00 1.00 H new ATOM 0 HA TYR A 125 76.873 -19.193 2.997 1.00 1.00 H new ATOM 0 HB2 TYR A 125 76.939 -21.402 2.095 1.00 1.00 H new ATOM 0 HB3 TYR A 125 76.691 -20.835 0.456 1.00 1.00 H new ATOM 0 HD1 TYR A 125 79.095 -20.700 3.325 1.00 1.00 H new ATOM 0 HD2 TYR A 125 78.527 -20.154 -0.898 1.00 1.00 H new ATOM 0 HE1 TYR A 125 81.544 -20.440 3.026 1.00 1.00 H new ATOM 0 HE2 TYR A 125 80.972 -19.903 -1.196 1.00 1.00 H new ATOM 0 HH TYR A 125 82.971 -19.860 -0.224 1.00 1.00 H new ATOM 1859 N ARG A 126 78.232 -17.513 1.677 1.00 1.00 N ATOM 1860 CA ARG A 126 78.901 -16.383 1.047 1.00 1.00 C ATOM 1861 C ARG A 126 80.408 -16.491 1.316 1.00 1.00 C ATOM 1862 O ARG A 126 80.821 -16.965 2.374 1.00 1.00 O ATOM 1863 CB ARG A 126 78.351 -15.059 1.631 1.00 1.00 C ATOM 1864 CG ARG A 126 77.123 -14.542 0.822 1.00 1.00 C ATOM 1865 CD ARG A 126 77.509 -13.295 0.009 1.00 1.00 C ATOM 1866 NE ARG A 126 78.550 -13.618 -0.960 1.00 1.00 N ATOM 1867 CZ ARG A 126 78.250 -14.079 -2.168 1.00 1.00 C ATOM 1868 NH1 ARG A 126 77.007 -14.317 -2.492 1.00 1.00 N ATOM 1869 NH2 ARG A 126 79.200 -14.304 -3.029 1.00 1.00 N ATOM 0 H ARG A 126 78.677 -17.827 2.539 1.00 1.00 H new ATOM 0 HA ARG A 126 78.718 -16.393 -0.028 1.00 1.00 H new ATOM 0 HB2 ARG A 126 78.064 -15.211 2.672 1.00 1.00 H new ATOM 0 HB3 ARG A 126 79.137 -14.303 1.624 1.00 1.00 H new ATOM 0 HG2 ARG A 126 76.764 -15.324 0.153 1.00 1.00 H new ATOM 0 HG3 ARG A 126 76.305 -14.303 1.502 1.00 1.00 H new ATOM 0 HD2 ARG A 126 76.632 -12.905 -0.507 1.00 1.00 H new ATOM 0 HD3 ARG A 126 77.859 -12.511 0.680 1.00 1.00 H new ATOM 0 HE ARG A 126 79.529 -13.487 -0.704 1.00 1.00 H new ATOM 0 HH11 ARG A 126 76.262 -14.149 -1.816 1.00 1.00 H new ATOM 0 HH12 ARG A 126 76.781 -14.671 -3.421 1.00 1.00 H new ATOM 0 HH21 ARG A 126 80.172 -14.126 -2.775 1.00 1.00 H new ATOM 0 HH22 ARG A 126 78.973 -14.658 -3.958 1.00 1.00 H new ATOM 1883 N PHE A 127 81.218 -16.047 0.356 1.00 1.00 N ATOM 1884 CA PHE A 127 82.680 -16.095 0.506 1.00 1.00 C ATOM 1885 C PHE A 127 83.217 -14.722 0.906 1.00 1.00 C ATOM 1886 O PHE A 127 82.412 -13.820 1.071 1.00 1.00 O ATOM 1887 CB PHE A 127 83.342 -16.563 -0.798 1.00 1.00 C ATOM 1888 CG PHE A 127 83.325 -15.462 -1.834 1.00 1.00 C ATOM 1889 CD1 PHE A 127 82.210 -15.287 -2.663 1.00 1.00 C ATOM 1890 CD2 PHE A 127 84.435 -14.619 -1.967 1.00 1.00 C ATOM 1891 CE1 PHE A 127 82.206 -14.268 -3.624 1.00 1.00 C ATOM 1892 CE2 PHE A 127 84.432 -13.601 -2.929 1.00 1.00 C ATOM 1893 CZ PHE A 127 83.317 -13.425 -3.756 1.00 1.00 C ATOM 1894 OXT PHE A 127 84.421 -14.595 1.048 1.00 1.00 O ATOM 0 H PHE A 127 80.895 -15.653 -0.528 1.00 1.00 H new ATOM 0 HA PHE A 127 82.921 -16.810 1.293 1.00 1.00 H new ATOM 0 HB2 PHE A 127 84.370 -16.867 -0.601 1.00 1.00 H new ATOM 0 HB3 PHE A 127 82.819 -17.439 -1.183 1.00 1.00 H new ATOM 0 HD1 PHE A 127 81.354 -15.937 -2.561 1.00 1.00 H new ATOM 0 HD2 PHE A 127 85.294 -14.754 -1.327 1.00 1.00 H new ATOM 0 HE1 PHE A 127 81.346 -14.132 -4.263 1.00 1.00 H new ATOM 0 HE2 PHE A 127 85.289 -12.953 -3.032 1.00 1.00 H new ATOM 0 HZ PHE A 127 83.313 -12.639 -4.496 1.00 1.00 H new TER 1904 PHE A 127 HETATM 1905 O1 MTN A 128 66.397 4.616 -10.520 1.00 1.00 O HETATM 1906 N1 MTN A 128 66.450 4.519 -9.258 1.00 1.00 N HETATM 1907 C1 MTN A 128 66.616 3.233 -8.556 1.00 1.00 C HETATM 1908 C2 MTN A 128 66.613 3.701 -7.145 1.00 1.00 C HETATM 1909 C3 MTN A 128 66.472 5.008 -7.015 1.00 1.00 C HETATM 1910 C4 MTN A 128 66.435 5.742 -5.703 1.00 1.00 C HETATM 1911 S1 MTN A 128 67.698 5.218 -4.506 1.00 1.00 S HETATM 1912 C5 MTN A 128 66.346 5.707 -8.360 1.00 1.00 C HETATM 1913 C6 MTN A 128 65.052 6.497 -8.511 1.00 1.00 C HETATM 1914 C7 MTN A 128 67.558 6.605 -8.603 1.00 1.00 C HETATM 1915 C8 MTN A 128 65.472 2.255 -8.825 1.00 1.00 C HETATM 1916 C9 MTN A 128 67.955 2.621 -8.916 1.00 1.00 C HETATM 0 H93 MTN A 128 68.001 2.453 -9.992 1.00 1.00 H new HETATM 0 H92 MTN A 128 68.756 3.299 -8.621 1.00 1.00 H new HETATM 0 H91 MTN A 128 68.073 1.671 -8.395 1.00 1.00 H new HETATM 0 H83 MTN A 128 64.532 2.695 -8.493 1.00 1.00 H new HETATM 0 H82 MTN A 128 65.417 2.045 -9.893 1.00 1.00 H new HETATM 0 H81 MTN A 128 65.651 1.327 -8.281 1.00 1.00 H new HETATM 0 H73 MTN A 128 68.471 6.051 -8.383 1.00 1.00 H new HETATM 0 H72 MTN A 128 67.570 6.926 -9.645 1.00 1.00 H new HETATM 0 H71 MTN A 128 67.499 7.479 -7.955 1.00 1.00 H new HETATM 0 H63 MTN A 128 64.967 6.863 -9.534 1.00 1.00 H new HETATM 0 H62 MTN A 128 64.203 5.852 -8.284 1.00 1.00 H new HETATM 0 H61 MTN A 128 65.059 7.342 -7.823 1.00 1.00 H new HETATM 0 H42 MTN A 128 66.555 6.808 -5.895 1.00 1.00 H new HETATM 0 H41 MTN A 128 65.451 5.608 -5.255 1.00 1.00 H new HETATM 0 H2 MTN A 128 66.718 3.027 -6.295 1.00 1.00 H new HETATM 1932 O1 MTN A 129 71.498 -9.945 -5.417 1.00 1.00 O HETATM 1933 N1 MTN A 129 71.173 -9.329 -4.358 1.00 1.00 N HETATM 1934 C1 MTN A 129 69.906 -8.584 -4.219 1.00 1.00 C HETATM 1935 C2 MTN A 129 70.062 -8.073 -2.839 1.00 1.00 C HETATM 1936 C3 MTN A 129 71.192 -8.431 -2.264 1.00 1.00 C HETATM 1937 C4 MTN A 129 71.625 -8.017 -0.900 1.00 1.00 C HETATM 1938 S1 MTN A 129 72.422 -6.391 -0.857 1.00 1.00 S HETATM 1939 C5 MTN A 129 72.049 -9.304 -3.157 1.00 1.00 C HETATM 1940 C6 MTN A 129 73.457 -8.755 -3.402 1.00 1.00 C HETATM 1941 C7 MTN A 129 72.089 -10.730 -2.585 1.00 1.00 C HETATM 1942 C8 MTN A 129 69.751 -7.460 -5.236 1.00 1.00 C HETATM 1943 C9 MTN A 129 68.737 -9.551 -4.298 1.00 1.00 C HETATM 0 H93 MTN A 129 68.753 -10.063 -5.260 1.00 1.00 H new HETATM 0 H92 MTN A 129 68.816 -10.284 -3.495 1.00 1.00 H new HETATM 0 H91 MTN A 129 67.802 -9.001 -4.195 1.00 1.00 H new HETATM 0 H83 MTN A 129 70.566 -6.746 -5.116 1.00 1.00 H new HETATM 0 H82 MTN A 129 69.778 -7.875 -6.244 1.00 1.00 H new HETATM 0 H81 MTN A 129 68.799 -6.954 -5.077 1.00 1.00 H new HETATM 0 H73 MTN A 129 71.080 -11.042 -2.314 1.00 1.00 H new HETATM 0 H72 MTN A 129 72.490 -11.412 -3.335 1.00 1.00 H new HETATM 0 H71 MTN A 129 72.725 -10.749 -1.700 1.00 1.00 H new HETATM 0 H63 MTN A 129 73.963 -9.369 -4.147 1.00 1.00 H new HETATM 0 H62 MTN A 129 73.390 -7.729 -3.763 1.00 1.00 H new HETATM 0 H61 MTN A 129 74.023 -8.775 -2.470 1.00 1.00 H new HETATM 0 H42 MTN A 129 70.758 -8.005 -0.240 1.00 1.00 H new HETATM 0 H41 MTN A 129 72.316 -8.762 -0.505 1.00 1.00 H new HETATM 0 H2 MTN A 129 69.311 -7.457 -2.344 1.00 1.00 H new HETATM 1959 O1 MTN A 130 80.938 -10.701 6.198 1.00 1.00 O HETATM 1960 N1 MTN A 130 81.191 -9.523 5.810 1.00 1.00 N HETATM 1961 C1 MTN A 130 82.558 -8.967 5.785 1.00 1.00 C HETATM 1962 C2 MTN A 130 82.259 -7.611 5.259 1.00 1.00 C HETATM 1963 C3 MTN A 130 80.975 -7.404 5.023 1.00 1.00 C HETATM 1964 C4 MTN A 130 80.402 -6.134 4.510 1.00 1.00 C HETATM 1965 S1 MTN A 130 80.779 -4.713 5.555 1.00 1.00 S HETATM 1966 C5 MTN A 130 80.123 -8.603 5.345 1.00 1.00 C HETATM 1967 C6 MTN A 130 79.034 -8.315 6.371 1.00 1.00 C HETATM 1968 C7 MTN A 130 79.526 -9.161 4.056 1.00 1.00 C HETATM 1969 C8 MTN A 130 83.208 -8.937 7.183 1.00 1.00 C HETATM 1970 C9 MTN A 130 83.402 -9.753 4.790 1.00 1.00 C HETATM 0 H93 MTN A 130 83.439 -10.800 5.091 1.00 1.00 H new HETATM 0 H92 MTN A 130 82.959 -9.677 3.797 1.00 1.00 H new HETATM 0 H91 MTN A 130 84.413 -9.345 4.768 1.00 1.00 H new HETATM 0 H83 MTN A 130 82.607 -8.320 7.851 1.00 1.00 H new HETATM 0 H82 MTN A 130 83.265 -9.951 7.579 1.00 1.00 H new HETATM 0 H81 MTN A 130 84.212 -8.519 7.109 1.00 1.00 H new HETATM 0 H73 MTN A 130 80.305 -9.238 3.298 1.00 1.00 H new HETATM 0 H72 MTN A 130 79.107 -10.149 4.247 1.00 1.00 H new HETATM 0 H71 MTN A 130 78.739 -8.495 3.702 1.00 1.00 H new HETATM 0 H63 MTN A 130 78.544 -9.247 6.653 1.00 1.00 H new HETATM 0 H62 MTN A 130 79.479 -7.857 7.255 1.00 1.00 H new HETATM 0 H61 MTN A 130 78.299 -7.634 5.941 1.00 1.00 H new HETATM 0 H42 MTN A 130 80.784 -5.950 3.506 1.00 1.00 H new HETATM 0 H41 MTN A 130 79.320 -6.238 4.426 1.00 1.00 H new HETATM 0 H2 MTN A 130 83.026 -6.857 5.084 1.00 1.00 H new