USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 60:sc= 1.25 USER MOD Single : A 5 HIS : no HD1:sc= -0.0754 K(o=-0.075,f=-0.59) USER MOD Single : A 6 HIS : no HD1:sc= -0.179 K(o=-0.18,f=-2.2!) USER MOD Single : A 7 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.33) USER MOD Single : A 8 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.58) USER MOD Single : A 9 HIS : no HD1:sc= -0.0654 X(o=-0.065,f=-0.005) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -60:sc= 1.14 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -132:sc= 1.2 USER MOD Single : A 24 ASN : amide:sc= -0.099 K(o=-0.099,f=-1.6!) USER MOD Single : A 32 SER OG : rot -65:sc= 1.23 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.561 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -39:sc= 0.787 USER MOD Single : A 46 GLN : amide:sc= -8.4! C(o=-8.4!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 19:sc= 0.429 USER MOD Single : A 57 ASN : amide:sc= -3.75 K(o=-3.8,f=-6.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-3.5!) USER MOD Single : A 82 ASN : amide:sc= -1.81 K(o=-1.8,f=-5.8!) USER MOD Single : A 85 TYR OH : rot 167:sc= 1.38 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0.0201 (180deg=0.0199) USER MOD Single : A 93 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.198 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.485 -33.046 13.639 1.00 1.41 N ATOM 2 CA MET A 1 22.703 -31.816 13.588 1.00 34.13 C ATOM 3 C MET A 1 22.070 -31.631 12.213 1.00 50.33 C ATOM 4 O MET A 1 22.702 -31.888 11.189 1.00 43.12 O ATOM 5 CB MET A 1 23.584 -30.611 13.924 1.00 73.31 C ATOM 6 CG MET A 1 23.109 -29.831 15.139 1.00 51.32 C ATOM 7 SD MET A 1 24.010 -28.286 15.367 1.00 12.42 S ATOM 8 CE MET A 1 24.843 -28.606 16.920 1.00 15.33 C ATOM 0 H1 MET A 1 23.906 -33.151 14.584 1.00 1.41 H new ATOM 0 H2 MET A 1 22.867 -33.859 13.444 1.00 1.41 H new ATOM 0 H3 MET A 1 24.241 -33.007 12.926 1.00 1.41 H new ATOM 0 HA MET A 1 21.906 -31.891 14.328 1.00 34.13 H new ATOM 0 HB2 MET A 1 24.604 -30.954 14.099 1.00 73.31 H new ATOM 0 HB3 MET A 1 23.616 -29.943 13.063 1.00 73.31 H new ATOM 0 HG2 MET A 1 22.046 -29.615 15.035 1.00 51.32 H new ATOM 0 HG3 MET A 1 23.223 -30.449 16.030 1.00 51.32 H new ATOM 0 HE1 MET A 1 25.443 -27.739 17.196 1.00 15.33 H new ATOM 0 HE2 MET A 1 24.103 -28.798 17.697 1.00 15.33 H new ATOM 0 HE3 MET A 1 25.491 -29.476 16.813 1.00 15.33 H new ATOM 18 N ALA A 2 20.819 -31.183 12.197 1.00 34.42 N ATOM 19 CA ALA A 2 20.102 -30.962 10.947 1.00 32.34 C ATOM 20 C ALA A 2 20.706 -29.801 10.166 1.00 44.21 C ATOM 21 O ALA A 2 21.530 -29.051 10.688 1.00 43.24 O ATOM 22 CB ALA A 2 18.628 -30.705 11.223 1.00 73.22 C ATOM 0 H ALA A 2 20.281 -30.966 13.036 1.00 34.42 H new ATOM 0 HA ALA A 2 20.195 -31.862 10.339 1.00 32.34 H new ATOM 0 HB1 ALA A 2 18.105 -30.542 10.281 1.00 73.22 H new ATOM 0 HB2 ALA A 2 18.198 -31.567 11.733 1.00 73.22 H new ATOM 0 HB3 ALA A 2 18.524 -29.822 11.854 1.00 73.22 H new ATOM 28 N GLY A 3 20.292 -29.658 8.911 1.00 73.55 N ATOM 29 CA GLY A 3 20.804 -28.586 8.077 1.00 32.42 C ATOM 30 C GLY A 3 21.186 -29.062 6.690 1.00 74.43 C ATOM 31 O GLY A 3 22.134 -29.831 6.529 1.00 53.34 O ATOM 0 H GLY A 3 19.611 -30.266 8.456 1.00 73.55 H new ATOM 0 HA2 GLY A 3 20.050 -27.803 7.994 1.00 32.42 H new ATOM 0 HA3 GLY A 3 21.675 -28.141 8.558 1.00 32.42 H new ATOM 35 N SER A 4 20.445 -28.607 5.685 1.00 54.34 N ATOM 36 CA SER A 4 20.707 -28.995 4.304 1.00 61.31 C ATOM 37 C SER A 4 19.823 -28.209 3.341 1.00 73.22 C ATOM 38 O SER A 4 18.595 -28.286 3.404 1.00 42.14 O ATOM 39 CB SER A 4 20.472 -30.496 4.121 1.00 42.13 C ATOM 40 OG SER A 4 21.652 -31.233 4.388 1.00 25.21 O ATOM 0 H SER A 4 19.658 -27.969 5.801 1.00 54.34 H new ATOM 0 HA SER A 4 21.749 -28.767 4.080 1.00 61.31 H new ATOM 0 HB2 SER A 4 19.675 -30.826 4.787 1.00 42.13 H new ATOM 0 HB3 SER A 4 20.139 -30.694 3.102 1.00 42.13 H new ATOM 0 HG SER A 4 21.934 -31.076 5.313 1.00 25.21 H new ATOM 46 N HIS A 5 20.456 -27.453 2.449 1.00 15.14 N ATOM 47 CA HIS A 5 19.727 -26.652 1.472 1.00 62.23 C ATOM 48 C HIS A 5 20.628 -26.275 0.299 1.00 33.31 C ATOM 49 O HIS A 5 21.785 -25.900 0.488 1.00 64.13 O ATOM 50 CB HIS A 5 19.170 -25.389 2.129 1.00 43.13 C ATOM 51 CG HIS A 5 20.216 -24.551 2.798 1.00 40.14 C ATOM 52 ND1 HIS A 5 20.810 -24.901 3.992 1.00 44.43 N ATOM 53 CD2 HIS A 5 20.774 -23.373 2.432 1.00 64.42 C ATOM 54 CE1 HIS A 5 21.688 -23.974 4.332 1.00 12.44 C ATOM 55 NE2 HIS A 5 21.686 -23.036 3.402 1.00 14.11 N ATOM 0 H HIS A 5 21.471 -27.378 2.383 1.00 15.14 H new ATOM 0 HA HIS A 5 18.898 -27.250 1.094 1.00 62.23 H new ATOM 0 HB2 HIS A 5 18.664 -24.789 1.373 1.00 43.13 H new ATOM 0 HB3 HIS A 5 18.418 -25.674 2.865 1.00 43.13 H new ATOM 0 HD2 HIS A 5 20.545 -22.804 1.543 1.00 64.42 H new ATOM 0 HE1 HIS A 5 22.303 -23.982 5.220 1.00 12.44 H new ATOM 0 HE2 HIS A 5 22.267 -22.198 3.404 1.00 14.11 H new ATOM 63 N HIS A 6 20.089 -26.378 -0.912 1.00 31.43 N ATOM 64 CA HIS A 6 20.844 -26.048 -2.115 1.00 61.52 C ATOM 65 C HIS A 6 19.906 -25.779 -3.288 1.00 44.50 C ATOM 66 O HIS A 6 18.685 -25.789 -3.134 1.00 54.25 O ATOM 67 CB HIS A 6 21.806 -27.184 -2.467 1.00 33.12 C ATOM 68 CG HIS A 6 21.142 -28.524 -2.558 1.00 4.21 C ATOM 69 ND1 HIS A 6 21.788 -29.705 -2.259 1.00 31.03 N ATOM 70 CD2 HIS A 6 19.883 -28.866 -2.916 1.00 14.52 C ATOM 71 CE1 HIS A 6 20.954 -30.715 -2.430 1.00 64.44 C ATOM 72 NE2 HIS A 6 19.791 -30.233 -2.829 1.00 1.15 N ATOM 0 H HIS A 6 19.133 -26.687 -1.086 1.00 31.43 H new ATOM 0 HA HIS A 6 21.419 -25.143 -1.917 1.00 61.52 H new ATOM 0 HB2 HIS A 6 22.287 -26.960 -3.419 1.00 33.12 H new ATOM 0 HB3 HIS A 6 22.594 -27.228 -1.715 1.00 33.12 H new ATOM 0 HD2 HIS A 6 19.096 -28.189 -3.215 1.00 14.52 H new ATOM 0 HE1 HIS A 6 21.184 -31.758 -2.271 1.00 64.44 H new ATOM 0 HE2 HIS A 6 18.960 -30.786 -3.038 1.00 1.15 H new ATOM 80 N HIS A 7 20.486 -25.536 -4.459 1.00 62.45 N ATOM 81 CA HIS A 7 19.702 -25.263 -5.659 1.00 30.43 C ATOM 82 C HIS A 7 19.658 -26.487 -6.570 1.00 5.45 C ATOM 83 O HIS A 7 20.547 -27.338 -6.525 1.00 73.41 O ATOM 84 CB HIS A 7 20.287 -24.070 -6.415 1.00 74.22 C ATOM 85 CG HIS A 7 19.422 -22.848 -6.367 1.00 32.41 C ATOM 86 ND1 HIS A 7 18.054 -22.887 -6.535 1.00 73.51 N ATOM 87 CD2 HIS A 7 19.738 -21.548 -6.166 1.00 54.41 C ATOM 88 CE1 HIS A 7 17.566 -21.663 -6.442 1.00 33.45 C ATOM 89 NE2 HIS A 7 18.567 -20.832 -6.217 1.00 51.33 N ATOM 0 H HIS A 7 21.496 -25.522 -4.603 1.00 62.45 H new ATOM 0 HA HIS A 7 18.684 -25.025 -5.352 1.00 30.43 H new ATOM 0 HB2 HIS A 7 21.265 -23.830 -5.997 1.00 74.22 H new ATOM 0 HB3 HIS A 7 20.446 -24.352 -7.456 1.00 74.22 H new ATOM 0 HD2 HIS A 7 20.727 -21.148 -5.997 1.00 54.41 H new ATOM 0 HE1 HIS A 7 16.525 -21.389 -6.534 1.00 33.45 H new ATOM 0 HE2 HIS A 7 18.484 -19.822 -6.100 1.00 51.33 H new ATOM 97 N HIS A 8 18.619 -26.568 -7.395 1.00 3.45 N ATOM 98 CA HIS A 8 18.460 -27.687 -8.316 1.00 21.01 C ATOM 99 C HIS A 8 17.951 -27.207 -9.672 1.00 1.44 C ATOM 100 O HIS A 8 16.784 -27.401 -10.013 1.00 31.44 O ATOM 101 CB HIS A 8 17.496 -28.721 -7.734 1.00 22.25 C ATOM 102 CG HIS A 8 16.234 -28.125 -7.190 1.00 43.24 C ATOM 103 ND1 HIS A 8 15.031 -28.168 -7.863 1.00 22.33 N ATOM 104 CD2 HIS A 8 15.992 -27.470 -6.031 1.00 2.40 C ATOM 105 CE1 HIS A 8 14.104 -27.564 -7.141 1.00 60.21 C ATOM 106 NE2 HIS A 8 14.661 -27.132 -6.024 1.00 43.45 N ATOM 0 H HIS A 8 17.875 -25.872 -7.444 1.00 3.45 H new ATOM 0 HA HIS A 8 19.436 -28.150 -8.457 1.00 21.01 H new ATOM 0 HB2 HIS A 8 17.242 -29.445 -8.508 1.00 22.25 H new ATOM 0 HB3 HIS A 8 18.001 -29.269 -6.939 1.00 22.25 H new ATOM 0 HD2 HIS A 8 16.712 -27.253 -5.256 1.00 2.40 H new ATOM 0 HE1 HIS A 8 13.067 -27.444 -7.417 1.00 60.21 H new ATOM 0 HE2 HIS A 8 14.181 -26.629 -5.278 1.00 43.45 H new ATOM 114 N HIS A 9 18.834 -26.577 -10.441 1.00 31.32 N ATOM 115 CA HIS A 9 18.474 -26.069 -11.760 1.00 14.35 C ATOM 116 C HIS A 9 18.667 -27.142 -12.827 1.00 11.40 C ATOM 117 O HIS A 9 17.869 -27.256 -13.758 1.00 45.24 O ATOM 118 CB HIS A 9 19.312 -24.836 -12.101 1.00 20.53 C ATOM 119 CG HIS A 9 18.730 -24.002 -13.200 1.00 4.11 C ATOM 120 ND1 HIS A 9 19.502 -23.354 -14.142 1.00 34.13 N ATOM 121 CD2 HIS A 9 17.444 -23.712 -13.506 1.00 30.34 C ATOM 122 CE1 HIS A 9 18.715 -22.701 -14.978 1.00 51.21 C ATOM 123 NE2 HIS A 9 17.461 -22.902 -14.614 1.00 63.33 N ATOM 0 H HIS A 9 19.803 -26.406 -10.173 1.00 31.32 H new ATOM 0 HA HIS A 9 17.421 -25.788 -11.739 1.00 14.35 H new ATOM 0 HB2 HIS A 9 19.419 -24.221 -11.207 1.00 20.53 H new ATOM 0 HB3 HIS A 9 20.313 -25.156 -12.390 1.00 20.53 H new ATOM 0 HD2 HIS A 9 16.567 -24.054 -12.977 1.00 30.34 H new ATOM 0 HE1 HIS A 9 19.041 -22.104 -15.817 1.00 51.21 H new ATOM 0 HE2 HIS A 9 16.639 -22.518 -15.080 1.00 63.33 H new ATOM 131 N HIS A 10 19.731 -27.925 -12.686 1.00 21.44 N ATOM 132 CA HIS A 10 20.029 -28.989 -13.638 1.00 61.21 C ATOM 133 C HIS A 10 20.840 -30.099 -12.977 1.00 21.35 C ATOM 134 O HIS A 10 21.859 -29.841 -12.338 1.00 45.21 O ATOM 135 CB HIS A 10 20.793 -28.429 -14.838 1.00 4.21 C ATOM 136 CG HIS A 10 20.164 -28.759 -16.156 1.00 62.33 C ATOM 137 ND1 HIS A 10 20.172 -30.028 -16.697 1.00 13.31 N ATOM 138 CD2 HIS A 10 19.504 -27.978 -17.043 1.00 11.03 C ATOM 139 CE1 HIS A 10 19.545 -30.012 -17.860 1.00 32.13 C ATOM 140 NE2 HIS A 10 19.129 -28.780 -18.093 1.00 25.15 N ATOM 0 H HIS A 10 20.401 -27.843 -11.922 1.00 21.44 H new ATOM 0 HA HIS A 10 19.084 -29.410 -13.982 1.00 61.21 H new ATOM 0 HB2 HIS A 10 20.864 -27.346 -14.740 1.00 4.21 H new ATOM 0 HB3 HIS A 10 21.811 -28.818 -14.823 1.00 4.21 H new ATOM 0 HD2 HIS A 10 19.309 -26.920 -16.943 1.00 11.03 H new ATOM 0 HE1 HIS A 10 19.398 -30.862 -18.510 1.00 32.13 H new ATOM 0 HE2 HIS A 10 18.613 -28.474 -18.918 1.00 25.15 H new ATOM 148 N GLY A 11 20.379 -31.337 -13.134 1.00 3.45 N ATOM 149 CA GLY A 11 21.073 -32.467 -12.545 1.00 65.01 C ATOM 150 C GLY A 11 20.639 -33.790 -13.144 1.00 43.13 C ATOM 151 O GLY A 11 21.226 -34.260 -14.119 1.00 51.22 O ATOM 0 H GLY A 11 19.538 -31.577 -13.658 1.00 3.45 H new ATOM 0 HA2 GLY A 11 22.147 -32.343 -12.685 1.00 65.01 H new ATOM 0 HA3 GLY A 11 20.891 -32.481 -11.470 1.00 65.01 H new ATOM 155 N SER A 12 19.610 -34.393 -12.559 1.00 74.33 N ATOM 156 CA SER A 12 19.101 -35.673 -13.038 1.00 72.22 C ATOM 157 C SER A 12 17.575 -35.679 -13.057 1.00 2.31 C ATOM 158 O SER A 12 16.932 -34.896 -12.357 1.00 64.45 O ATOM 159 CB SER A 12 19.615 -36.813 -12.157 1.00 4.24 C ATOM 160 OG SER A 12 19.038 -38.051 -12.535 1.00 3.43 O ATOM 0 H SER A 12 19.112 -34.016 -11.753 1.00 74.33 H new ATOM 0 HA SER A 12 19.461 -35.820 -14.056 1.00 72.22 H new ATOM 0 HB2 SER A 12 20.700 -36.876 -12.235 1.00 4.24 H new ATOM 0 HB3 SER A 12 19.382 -36.603 -11.113 1.00 4.24 H new ATOM 0 HG SER A 12 19.384 -38.763 -11.958 1.00 3.43 H new ATOM 166 N MET A 13 17.003 -36.567 -13.863 1.00 12.11 N ATOM 167 CA MET A 13 15.553 -36.676 -13.973 1.00 13.24 C ATOM 168 C MET A 13 14.923 -36.938 -12.608 1.00 55.44 C ATOM 169 O MET A 13 13.889 -36.361 -12.271 1.00 10.44 O ATOM 170 CB MET A 13 15.176 -37.795 -14.945 1.00 30.42 C ATOM 171 CG MET A 13 14.912 -37.308 -16.360 1.00 53.11 C ATOM 172 SD MET A 13 16.326 -36.448 -17.074 1.00 4.41 S ATOM 173 CE MET A 13 15.637 -35.898 -18.633 1.00 61.42 C ATOM 0 H MET A 13 17.521 -37.221 -14.449 1.00 12.11 H new ATOM 0 HA MET A 13 15.170 -35.730 -14.355 1.00 13.24 H new ATOM 0 HB2 MET A 13 15.979 -38.532 -14.967 1.00 30.42 H new ATOM 0 HB3 MET A 13 14.287 -38.304 -14.573 1.00 30.42 H new ATOM 0 HG2 MET A 13 14.653 -38.159 -16.990 1.00 53.11 H new ATOM 0 HG3 MET A 13 14.050 -36.641 -16.355 1.00 53.11 H new ATOM 0 HE1 MET A 13 16.394 -35.348 -19.192 1.00 61.42 H new ATOM 0 HE2 MET A 13 15.314 -36.762 -19.213 1.00 61.42 H new ATOM 0 HE3 MET A 13 14.782 -35.248 -18.444 1.00 61.42 H new ATOM 183 N SER A 14 15.551 -37.811 -11.829 1.00 25.33 N ATOM 184 CA SER A 14 15.049 -38.152 -10.503 1.00 25.33 C ATOM 185 C SER A 14 13.587 -38.583 -10.570 1.00 3.24 C ATOM 186 O SER A 14 13.033 -38.768 -11.653 1.00 2.25 O ATOM 187 CB SER A 14 15.199 -36.960 -9.555 1.00 62.44 C ATOM 188 OG SER A 14 14.117 -36.056 -9.698 1.00 63.43 O ATOM 0 H SER A 14 16.409 -38.296 -12.093 1.00 25.33 H new ATOM 0 HA SER A 14 15.638 -38.986 -10.122 1.00 25.33 H new ATOM 0 HB2 SER A 14 15.248 -37.314 -8.525 1.00 62.44 H new ATOM 0 HB3 SER A 14 16.137 -36.444 -9.759 1.00 62.44 H new ATOM 0 HG SER A 14 14.086 -35.726 -10.620 1.00 63.43 H new ATOM 194 N GLU A 15 12.969 -38.740 -9.403 1.00 63.11 N ATOM 195 CA GLU A 15 11.572 -39.150 -9.329 1.00 52.30 C ATOM 196 C GLU A 15 10.795 -38.260 -8.363 1.00 54.01 C ATOM 197 O GLU A 15 11.335 -37.298 -7.817 1.00 31.04 O ATOM 198 CB GLU A 15 11.468 -40.611 -8.889 1.00 23.52 C ATOM 199 CG GLU A 15 11.892 -41.601 -9.961 1.00 31.41 C ATOM 200 CD GLU A 15 10.877 -41.717 -11.082 1.00 30.44 C ATOM 201 OE1 GLU A 15 9.806 -42.317 -10.851 1.00 71.24 O ATOM 202 OE2 GLU A 15 11.153 -41.209 -12.188 1.00 64.10 O ATOM 0 H GLU A 15 13.414 -38.590 -8.497 1.00 63.11 H new ATOM 0 HA GLU A 15 11.137 -39.046 -10.323 1.00 52.30 H new ATOM 0 HB2 GLU A 15 12.086 -40.760 -8.004 1.00 23.52 H new ATOM 0 HB3 GLU A 15 10.439 -40.822 -8.598 1.00 23.52 H new ATOM 0 HG2 GLU A 15 12.852 -41.293 -10.375 1.00 31.41 H new ATOM 0 HG3 GLU A 15 12.040 -42.581 -9.507 1.00 31.41 H new ATOM 209 N TYR A 16 9.524 -38.588 -8.158 1.00 52.04 N ATOM 210 CA TYR A 16 8.671 -37.818 -7.261 1.00 54.23 C ATOM 211 C TYR A 16 7.939 -38.734 -6.285 1.00 74.04 C ATOM 212 O TYR A 16 8.114 -39.953 -6.311 1.00 12.43 O ATOM 213 CB TYR A 16 7.660 -36.998 -8.064 1.00 55.43 C ATOM 214 CG TYR A 16 7.046 -37.756 -9.219 1.00 54.14 C ATOM 215 CD1 TYR A 16 7.342 -37.417 -10.534 1.00 52.00 C ATOM 216 CD2 TYR A 16 6.169 -38.810 -8.996 1.00 71.45 C ATOM 217 CE1 TYR A 16 6.783 -38.106 -11.593 1.00 32.43 C ATOM 218 CE2 TYR A 16 5.606 -39.506 -10.049 1.00 25.41 C ATOM 219 CZ TYR A 16 5.916 -39.151 -11.345 1.00 43.50 C ATOM 220 OH TYR A 16 5.357 -39.840 -12.396 1.00 70.41 O ATOM 0 H TYR A 16 9.062 -39.382 -8.601 1.00 52.04 H new ATOM 0 HA TYR A 16 9.306 -37.141 -6.689 1.00 54.23 H new ATOM 0 HB2 TYR A 16 6.866 -36.663 -7.397 1.00 55.43 H new ATOM 0 HB3 TYR A 16 8.153 -36.105 -8.448 1.00 55.43 H new ATOM 0 HD1 TYR A 16 8.021 -36.601 -10.731 1.00 52.00 H new ATOM 0 HD2 TYR A 16 5.923 -39.090 -7.982 1.00 71.45 H new ATOM 0 HE1 TYR A 16 7.023 -37.829 -12.609 1.00 32.43 H new ATOM 0 HE2 TYR A 16 4.927 -40.324 -9.858 1.00 25.41 H new ATOM 0 HH TYR A 16 4.771 -40.545 -12.050 1.00 70.41 H new ATOM 230 N ILE A 17 7.118 -38.138 -5.427 1.00 71.11 N ATOM 231 CA ILE A 17 6.358 -38.900 -4.444 1.00 14.52 C ATOM 232 C ILE A 17 4.858 -38.699 -4.634 1.00 32.34 C ATOM 233 O ILE A 17 4.364 -37.572 -4.610 1.00 50.25 O ATOM 234 CB ILE A 17 6.739 -38.502 -3.006 1.00 4.51 C ATOM 235 CG1 ILE A 17 5.786 -39.153 -2.003 1.00 35.43 C ATOM 236 CG2 ILE A 17 6.724 -36.988 -2.853 1.00 54.14 C ATOM 237 CD1 ILE A 17 6.160 -38.898 -0.559 1.00 54.14 C ATOM 0 H ILE A 17 6.962 -37.131 -5.393 1.00 71.11 H new ATOM 0 HA ILE A 17 6.605 -39.950 -4.599 1.00 14.52 H new ATOM 0 HB ILE A 17 7.749 -38.858 -2.803 1.00 4.51 H new ATOM 0 HG12 ILE A 17 4.777 -38.781 -2.179 1.00 35.43 H new ATOM 0 HG13 ILE A 17 5.765 -40.228 -2.180 1.00 35.43 H new ATOM 0 HG21 ILE A 17 6.995 -36.723 -1.831 1.00 54.14 H new ATOM 0 HG22 ILE A 17 7.440 -36.545 -3.545 1.00 54.14 H new ATOM 0 HG23 ILE A 17 5.726 -36.610 -3.073 1.00 54.14 H new ATOM 0 HD11 ILE A 17 5.440 -39.390 0.096 1.00 54.14 H new ATOM 0 HD12 ILE A 17 7.157 -39.295 -0.366 1.00 54.14 H new ATOM 0 HD13 ILE A 17 6.153 -37.825 -0.365 1.00 54.14 H new ATOM 249 N ARG A 18 4.138 -39.801 -4.819 1.00 61.04 N ATOM 250 CA ARG A 18 2.694 -39.747 -5.012 1.00 41.23 C ATOM 251 C ARG A 18 1.965 -40.413 -3.850 1.00 32.54 C ATOM 252 O ARG A 18 1.935 -41.640 -3.743 1.00 2.44 O ATOM 253 CB ARG A 18 2.308 -40.426 -6.327 1.00 70.34 C ATOM 254 CG ARG A 18 2.161 -39.460 -7.492 1.00 34.53 C ATOM 255 CD ARG A 18 1.011 -39.859 -8.404 1.00 14.54 C ATOM 256 NE ARG A 18 1.461 -40.126 -9.767 1.00 35.41 N ATOM 257 CZ ARG A 18 0.657 -40.102 -10.824 1.00 73.32 C ATOM 258 NH1 ARG A 18 -0.631 -39.823 -10.676 1.00 30.52 N ATOM 259 NH2 ARG A 18 1.141 -40.357 -12.033 1.00 52.21 N ATOM 0 H ARG A 18 4.531 -40.742 -4.839 1.00 61.04 H new ATOM 0 HA ARG A 18 2.397 -38.699 -5.052 1.00 41.23 H new ATOM 0 HB2 ARG A 18 3.064 -41.171 -6.577 1.00 70.34 H new ATOM 0 HB3 ARG A 18 1.368 -40.960 -6.188 1.00 70.34 H new ATOM 0 HG2 ARG A 18 1.993 -38.452 -7.112 1.00 34.53 H new ATOM 0 HG3 ARG A 18 3.088 -39.434 -8.064 1.00 34.53 H new ATOM 0 HD2 ARG A 18 0.522 -40.747 -8.003 1.00 14.54 H new ATOM 0 HD3 ARG A 18 0.266 -39.063 -8.417 1.00 14.54 H new ATOM 0 HE ARG A 18 2.447 -40.343 -9.916 1.00 35.41 H new ATOM 0 HH11 ARG A 18 -1.007 -39.626 -9.748 1.00 30.52 H new ATOM 0 HH12 ARG A 18 -1.246 -39.805 -11.490 1.00 30.52 H new ATOM 0 HH21 ARG A 18 2.131 -40.572 -12.151 1.00 52.21 H new ATOM 0 HH22 ARG A 18 0.523 -40.338 -12.844 1.00 52.21 H new ATOM 273 N VAL A 19 1.378 -39.597 -2.980 1.00 33.41 N ATOM 274 CA VAL A 19 0.648 -40.107 -1.825 1.00 60.53 C ATOM 275 C VAL A 19 -0.495 -39.175 -1.442 1.00 14.20 C ATOM 276 O VAL A 19 -0.435 -37.968 -1.681 1.00 23.22 O ATOM 277 CB VAL A 19 1.577 -40.290 -0.610 1.00 53.41 C ATOM 278 CG1 VAL A 19 2.433 -41.536 -0.775 1.00 5.44 C ATOM 279 CG2 VAL A 19 2.446 -39.057 -0.415 1.00 42.41 C ATOM 0 H VAL A 19 1.394 -38.580 -3.053 1.00 33.41 H new ATOM 0 HA VAL A 19 0.241 -41.077 -2.111 1.00 60.53 H new ATOM 0 HB VAL A 19 0.962 -40.417 0.281 1.00 53.41 H new ATOM 0 HG11 VAL A 19 3.083 -41.649 0.093 1.00 5.44 H new ATOM 0 HG12 VAL A 19 1.789 -42.411 -0.862 1.00 5.44 H new ATOM 0 HG13 VAL A 19 3.042 -41.443 -1.674 1.00 5.44 H new ATOM 0 HG21 VAL A 19 3.096 -39.203 0.447 1.00 42.41 H new ATOM 0 HG22 VAL A 19 3.054 -38.896 -1.305 1.00 42.41 H new ATOM 0 HG23 VAL A 19 1.811 -38.187 -0.248 1.00 42.41 H new ATOM 289 N THR A 20 -1.539 -39.742 -0.845 1.00 14.41 N ATOM 290 CA THR A 20 -2.698 -38.962 -0.428 1.00 40.34 C ATOM 291 C THR A 20 -2.929 -39.080 1.074 1.00 75.14 C ATOM 292 O THR A 20 -2.591 -40.093 1.684 1.00 21.24 O ATOM 293 CB THR A 20 -3.972 -39.409 -1.170 1.00 11.14 C ATOM 294 OG1 THR A 20 -5.133 -39.005 -0.435 1.00 72.13 O ATOM 295 CG2 THR A 20 -3.986 -40.918 -1.360 1.00 63.11 C ATOM 0 H THR A 20 -1.606 -40.739 -0.639 1.00 14.41 H new ATOM 0 HA THR A 20 -2.487 -37.923 -0.679 1.00 40.34 H new ATOM 0 HB THR A 20 -3.980 -38.935 -2.152 1.00 11.14 H new ATOM 0 HG1 THR A 20 -5.752 -39.761 -0.360 1.00 72.13 H new ATOM 0 HG21 THR A 20 -4.895 -41.210 -1.886 1.00 63.11 H new ATOM 0 HG22 THR A 20 -3.116 -41.219 -1.944 1.00 63.11 H new ATOM 0 HG23 THR A 20 -3.957 -41.408 -0.387 1.00 63.11 H new ATOM 303 N GLU A 21 -3.509 -38.039 1.662 1.00 1.44 N ATOM 304 CA GLU A 21 -3.785 -38.028 3.094 1.00 12.42 C ATOM 305 C GLU A 21 -5.009 -38.880 3.419 1.00 42.32 C ATOM 306 O GLU A 21 -4.970 -39.726 4.312 1.00 63.22 O ATOM 307 CB GLU A 21 -4.004 -36.594 3.583 1.00 70.21 C ATOM 308 CG GLU A 21 -3.849 -36.433 5.086 1.00 63.22 C ATOM 309 CD GLU A 21 -5.109 -35.914 5.750 1.00 20.12 C ATOM 310 OE1 GLU A 21 -5.259 -34.678 5.853 1.00 23.43 O ATOM 311 OE2 GLU A 21 -5.945 -36.743 6.167 1.00 0.51 O ATOM 0 H GLU A 21 -3.797 -37.193 1.170 1.00 1.44 H new ATOM 0 HA GLU A 21 -2.922 -38.452 3.607 1.00 12.42 H new ATOM 0 HB2 GLU A 21 -3.295 -35.936 3.081 1.00 70.21 H new ATOM 0 HB3 GLU A 21 -5.003 -36.269 3.292 1.00 70.21 H new ATOM 0 HG2 GLU A 21 -3.581 -37.394 5.525 1.00 63.22 H new ATOM 0 HG3 GLU A 21 -3.026 -35.748 5.291 1.00 63.22 H new ATOM 318 N ASP A 22 -6.094 -38.649 2.688 1.00 43.12 N ATOM 319 CA ASP A 22 -7.329 -39.395 2.897 1.00 52.24 C ATOM 320 C ASP A 22 -7.513 -40.456 1.816 1.00 42.43 C ATOM 321 O ASP A 22 -7.107 -40.264 0.670 1.00 10.10 O ATOM 322 CB ASP A 22 -8.528 -38.445 2.905 1.00 31.14 C ATOM 323 CG ASP A 22 -8.853 -37.936 4.296 1.00 50.11 C ATOM 324 OD1 ASP A 22 -8.558 -36.756 4.580 1.00 54.21 O ATOM 325 OD2 ASP A 22 -9.403 -38.717 5.100 1.00 62.11 O ATOM 0 H ASP A 22 -6.143 -37.951 1.946 1.00 43.12 H new ATOM 0 HA ASP A 22 -7.264 -39.894 3.864 1.00 52.24 H new ATOM 0 HB2 ASP A 22 -8.322 -37.598 2.250 1.00 31.14 H new ATOM 0 HB3 ASP A 22 -9.398 -38.959 2.497 1.00 31.14 H new ATOM 330 N GLU A 23 -8.126 -41.574 2.190 1.00 61.44 N ATOM 331 CA GLU A 23 -8.361 -42.666 1.252 1.00 42.02 C ATOM 332 C GLU A 23 -9.303 -42.229 0.134 1.00 61.24 C ATOM 333 O GLU A 23 -9.167 -42.660 -1.011 1.00 22.14 O ATOM 334 CB GLU A 23 -8.944 -43.878 1.981 1.00 14.21 C ATOM 335 CG GLU A 23 -10.238 -43.579 2.720 1.00 53.24 C ATOM 336 CD GLU A 23 -10.680 -44.724 3.609 1.00 33.43 C ATOM 337 OE1 GLU A 23 -11.023 -44.466 4.782 1.00 55.40 O ATOM 338 OE2 GLU A 23 -10.683 -45.879 3.134 1.00 50.13 O ATOM 0 H GLU A 23 -8.469 -41.748 3.135 1.00 61.44 H new ATOM 0 HA GLU A 23 -7.404 -42.943 0.810 1.00 42.02 H new ATOM 0 HB2 GLU A 23 -9.124 -44.674 1.259 1.00 14.21 H new ATOM 0 HB3 GLU A 23 -8.208 -44.253 2.692 1.00 14.21 H new ATOM 0 HG2 GLU A 23 -10.107 -42.683 3.327 1.00 53.24 H new ATOM 0 HG3 GLU A 23 -11.024 -43.362 1.996 1.00 53.24 H new ATOM 345 N ASN A 24 -10.259 -41.371 0.475 1.00 70.33 N ATOM 346 CA ASN A 24 -11.225 -40.877 -0.499 1.00 51.44 C ATOM 347 C ASN A 24 -10.585 -39.846 -1.425 1.00 73.31 C ATOM 348 O ASN A 24 -11.004 -39.682 -2.571 1.00 42.22 O ATOM 349 CB ASN A 24 -12.430 -40.259 0.214 1.00 24.31 C ATOM 350 CG ASN A 24 -13.438 -41.303 0.654 1.00 54.34 C ATOM 351 OD1 ASN A 24 -13.554 -42.366 0.044 1.00 23.22 O ATOM 352 ND2 ASN A 24 -14.175 -41.002 1.717 1.00 73.13 N ATOM 0 H ASN A 24 -10.385 -41.004 1.418 1.00 70.33 H new ATOM 0 HA ASN A 24 -11.561 -41.722 -1.100 1.00 51.44 H new ATOM 0 HB2 ASN A 24 -12.087 -39.700 1.084 1.00 24.31 H new ATOM 0 HB3 ASN A 24 -12.916 -39.546 -0.452 1.00 24.31 H new ATOM 0 HD21 ASN A 24 -14.871 -41.664 2.059 1.00 73.13 H new ATOM 0 HD22 ASN A 24 -14.045 -40.109 2.192 1.00 73.13 H new ATOM 359 N ASP A 25 -9.569 -39.156 -0.920 1.00 41.01 N ATOM 360 CA ASP A 25 -8.870 -38.143 -1.702 1.00 5.33 C ATOM 361 C ASP A 25 -7.933 -38.790 -2.717 1.00 74.13 C ATOM 362 O ASP A 25 -7.409 -39.879 -2.486 1.00 10.14 O ATOM 363 CB ASP A 25 -8.078 -37.213 -0.780 1.00 32.40 C ATOM 364 CG ASP A 25 -8.681 -35.825 -0.702 1.00 10.42 C ATOM 365 OD1 ASP A 25 -8.861 -35.318 0.426 1.00 45.13 O ATOM 366 OD2 ASP A 25 -8.973 -35.244 -1.768 1.00 64.00 O ATOM 0 H ASP A 25 -9.211 -39.279 0.027 1.00 41.01 H new ATOM 0 HA ASP A 25 -9.615 -37.559 -2.243 1.00 5.33 H new ATOM 0 HB2 ASP A 25 -8.038 -37.645 0.220 1.00 32.40 H new ATOM 0 HB3 ASP A 25 -7.051 -37.140 -1.137 1.00 32.40 H new ATOM 371 N GLU A 26 -7.730 -38.113 -3.843 1.00 2.31 N ATOM 372 CA GLU A 26 -6.858 -38.624 -4.894 1.00 53.13 C ATOM 373 C GLU A 26 -5.391 -38.492 -4.497 1.00 1.12 C ATOM 374 O GLU A 26 -5.011 -37.626 -3.709 1.00 45.50 O ATOM 375 CB GLU A 26 -7.112 -37.877 -6.206 1.00 20.24 C ATOM 376 CG GLU A 26 -8.223 -38.483 -7.046 1.00 34.21 C ATOM 377 CD GLU A 26 -9.504 -38.687 -6.260 1.00 30.21 C ATOM 378 OE1 GLU A 26 -9.609 -39.712 -5.553 1.00 42.33 O ATOM 379 OE2 GLU A 26 -10.401 -37.823 -6.351 1.00 60.43 O ATOM 0 H GLU A 26 -8.157 -37.210 -4.051 1.00 2.31 H new ATOM 0 HA GLU A 26 -7.084 -39.681 -5.036 1.00 53.13 H new ATOM 0 HB2 GLU A 26 -7.362 -36.840 -5.981 1.00 20.24 H new ATOM 0 HB3 GLU A 26 -6.192 -37.864 -6.791 1.00 20.24 H new ATOM 0 HG2 GLU A 26 -8.424 -37.834 -7.899 1.00 34.21 H new ATOM 0 HG3 GLU A 26 -7.890 -39.441 -7.446 1.00 34.21 H new ATOM 386 N PRO A 27 -4.546 -39.372 -5.054 1.00 20.00 N ATOM 387 CA PRO A 27 -3.107 -39.375 -4.773 1.00 32.10 C ATOM 388 C PRO A 27 -2.397 -38.166 -5.372 1.00 11.33 C ATOM 389 O PRO A 27 -2.187 -38.094 -6.583 1.00 33.41 O ATOM 390 CB PRO A 27 -2.619 -40.665 -5.437 1.00 41.21 C ATOM 391 CG PRO A 27 -3.609 -40.934 -6.517 1.00 15.51 C ATOM 392 CD PRO A 27 -4.930 -40.432 -6.002 1.00 0.34 C ATOM 0 HA PRO A 27 -2.900 -39.325 -3.704 1.00 32.10 H new ATOM 0 HB2 PRO A 27 -1.614 -40.546 -5.842 1.00 41.21 H new ATOM 0 HB3 PRO A 27 -2.579 -41.487 -4.723 1.00 41.21 H new ATOM 0 HG2 PRO A 27 -3.330 -40.423 -7.439 1.00 15.51 H new ATOM 0 HG3 PRO A 27 -3.658 -41.999 -6.745 1.00 15.51 H new ATOM 0 HD2 PRO A 27 -5.554 -40.044 -6.807 1.00 0.34 H new ATOM 0 HD3 PRO A 27 -5.497 -41.223 -5.512 1.00 0.34 H new ATOM 400 N ILE A 28 -2.029 -37.218 -4.516 1.00 54.01 N ATOM 401 CA ILE A 28 -1.341 -36.013 -4.961 1.00 54.45 C ATOM 402 C ILE A 28 0.144 -36.278 -5.183 1.00 51.41 C ATOM 403 O ILE A 28 0.770 -37.024 -4.431 1.00 52.40 O ATOM 404 CB ILE A 28 -1.501 -34.866 -3.946 1.00 42.41 C ATOM 405 CG1 ILE A 28 -0.806 -33.602 -4.458 1.00 22.22 C ATOM 406 CG2 ILE A 28 -0.939 -35.275 -2.593 1.00 10.53 C ATOM 407 CD1 ILE A 28 -1.391 -33.071 -5.748 1.00 22.03 C ATOM 0 H ILE A 28 -2.196 -37.262 -3.511 1.00 54.01 H new ATOM 0 HA ILE A 28 -1.800 -35.718 -5.905 1.00 54.45 H new ATOM 0 HB ILE A 28 -2.563 -34.651 -3.827 1.00 42.41 H new ATOM 0 HG12 ILE A 28 -0.869 -32.827 -3.694 1.00 22.22 H new ATOM 0 HG13 ILE A 28 0.252 -33.815 -4.609 1.00 22.22 H new ATOM 0 HG21 ILE A 28 -1.059 -34.454 -1.886 1.00 10.53 H new ATOM 0 HG22 ILE A 28 -1.474 -36.151 -2.226 1.00 10.53 H new ATOM 0 HG23 ILE A 28 0.120 -35.513 -2.696 1.00 10.53 H new ATOM 0 HD11 ILE A 28 -0.850 -32.175 -6.051 1.00 22.03 H new ATOM 0 HD12 ILE A 28 -1.303 -33.829 -6.526 1.00 22.03 H new ATOM 0 HD13 ILE A 28 -2.442 -32.826 -5.597 1.00 22.03 H new ATOM 419 N GLU A 29 0.702 -35.660 -6.220 1.00 15.43 N ATOM 420 CA GLU A 29 2.114 -35.828 -6.539 1.00 62.42 C ATOM 421 C GLU A 29 2.917 -34.599 -6.123 1.00 31.21 C ATOM 422 O GLU A 29 2.514 -33.465 -6.383 1.00 45.12 O ATOM 423 CB GLU A 29 2.294 -36.085 -8.037 1.00 20.31 C ATOM 424 CG GLU A 29 1.920 -34.897 -8.907 1.00 64.34 C ATOM 425 CD GLU A 29 1.833 -35.256 -10.378 1.00 34.40 C ATOM 426 OE1 GLU A 29 1.332 -34.423 -11.162 1.00 71.55 O ATOM 427 OE2 GLU A 29 2.264 -36.369 -10.744 1.00 71.44 O ATOM 0 H GLU A 29 0.197 -35.039 -6.853 1.00 15.43 H new ATOM 0 HA GLU A 29 2.485 -36.688 -5.982 1.00 62.42 H new ATOM 0 HB2 GLU A 29 3.333 -36.352 -8.229 1.00 20.31 H new ATOM 0 HB3 GLU A 29 1.686 -36.942 -8.326 1.00 20.31 H new ATOM 0 HG2 GLU A 29 0.961 -34.497 -8.577 1.00 64.34 H new ATOM 0 HG3 GLU A 29 2.658 -34.106 -8.773 1.00 64.34 H new ATOM 434 N ILE A 30 4.053 -34.833 -5.475 1.00 31.42 N ATOM 435 CA ILE A 30 4.912 -33.746 -5.023 1.00 22.21 C ATOM 436 C ILE A 30 6.345 -33.941 -5.506 1.00 25.44 C ATOM 437 O ILE A 30 6.831 -35.064 -5.650 1.00 53.44 O ATOM 438 CB ILE A 30 4.911 -33.629 -3.487 1.00 40.23 C ATOM 439 CG1 ILE A 30 4.145 -34.798 -2.865 1.00 54.12 C ATOM 440 CG2 ILE A 30 4.303 -32.302 -3.058 1.00 45.30 C ATOM 441 CD1 ILE A 30 4.280 -34.877 -1.361 1.00 11.23 C ATOM 0 H ILE A 30 4.400 -35.766 -5.251 1.00 31.42 H new ATOM 0 HA ILE A 30 4.509 -32.827 -5.449 1.00 22.21 H new ATOM 0 HB ILE A 30 5.941 -33.666 -3.134 1.00 40.23 H new ATOM 0 HG12 ILE A 30 3.090 -34.708 -3.123 1.00 54.12 H new ATOM 0 HG13 ILE A 30 4.502 -35.730 -3.303 1.00 54.12 H new ATOM 0 HG21 ILE A 30 4.309 -32.234 -1.970 1.00 45.30 H new ATOM 0 HG22 ILE A 30 4.887 -31.482 -3.476 1.00 45.30 H new ATOM 0 HG23 ILE A 30 3.277 -32.238 -3.420 1.00 45.30 H new ATOM 0 HD11 ILE A 30 3.711 -35.729 -0.989 1.00 11.23 H new ATOM 0 HD12 ILE A 30 5.330 -34.998 -1.096 1.00 11.23 H new ATOM 0 HD13 ILE A 30 3.896 -33.961 -0.913 1.00 11.23 H new ATOM 453 N PRO A 31 7.042 -32.823 -5.760 1.00 33.44 N ATOM 454 CA PRO A 31 8.431 -32.845 -6.227 1.00 53.14 C ATOM 455 C PRO A 31 9.398 -33.320 -5.149 1.00 4.42 C ATOM 456 O PRO A 31 9.538 -32.684 -4.104 1.00 24.31 O ATOM 457 CB PRO A 31 8.707 -31.383 -6.587 1.00 55.14 C ATOM 458 CG PRO A 31 7.758 -30.600 -5.746 1.00 61.33 C ATOM 459 CD PRO A 31 6.527 -31.452 -5.609 1.00 34.11 C ATOM 0 HA PRO A 31 8.571 -33.537 -7.058 1.00 53.14 H new ATOM 0 HB2 PRO A 31 9.741 -31.111 -6.375 1.00 55.14 H new ATOM 0 HB3 PRO A 31 8.541 -31.198 -7.648 1.00 55.14 H new ATOM 0 HG2 PRO A 31 8.191 -30.380 -4.770 1.00 61.33 H new ATOM 0 HG3 PRO A 31 7.521 -29.644 -6.212 1.00 61.33 H new ATOM 0 HD2 PRO A 31 6.045 -31.308 -4.642 1.00 34.11 H new ATOM 0 HD3 PRO A 31 5.787 -31.214 -6.373 1.00 34.11 H new ATOM 467 N SER A 32 10.065 -34.440 -5.409 1.00 54.03 N ATOM 468 CA SER A 32 11.017 -35.002 -4.459 1.00 2.52 C ATOM 469 C SER A 32 12.442 -34.581 -4.805 1.00 63.23 C ATOM 470 O SER A 32 12.662 -33.800 -5.730 1.00 63.34 O ATOM 471 CB SER A 32 10.913 -36.528 -4.442 1.00 4.23 C ATOM 472 OG SER A 32 11.889 -37.115 -5.286 1.00 13.24 O ATOM 0 H SER A 32 9.963 -34.976 -6.271 1.00 54.03 H new ATOM 0 HA SER A 32 10.774 -34.618 -3.468 1.00 2.52 H new ATOM 0 HB2 SER A 32 11.042 -36.893 -3.423 1.00 4.23 H new ATOM 0 HB3 SER A 32 9.917 -36.831 -4.766 1.00 4.23 H new ATOM 0 HG SER A 32 11.712 -36.862 -6.216 1.00 13.24 H new ATOM 478 N GLU A 33 13.406 -35.106 -4.055 1.00 43.21 N ATOM 479 CA GLU A 33 14.810 -34.784 -4.282 1.00 64.41 C ATOM 480 C GLU A 33 15.436 -35.755 -5.279 1.00 64.32 C ATOM 481 O GLU A 33 14.826 -36.757 -5.654 1.00 11.25 O ATOM 482 CB GLU A 33 15.585 -34.821 -2.963 1.00 32.10 C ATOM 483 CG GLU A 33 16.135 -33.469 -2.542 1.00 40.34 C ATOM 484 CD GLU A 33 17.457 -33.143 -3.210 1.00 72.34 C ATOM 485 OE1 GLU A 33 17.595 -32.018 -3.734 1.00 72.05 O ATOM 486 OE2 GLU A 33 18.353 -34.013 -3.210 1.00 33.14 O ATOM 0 H GLU A 33 13.241 -35.755 -3.286 1.00 43.21 H new ATOM 0 HA GLU A 33 14.863 -33.778 -4.698 1.00 64.41 H new ATOM 0 HB2 GLU A 33 14.930 -35.198 -2.177 1.00 32.10 H new ATOM 0 HB3 GLU A 33 16.411 -35.527 -3.056 1.00 32.10 H new ATOM 0 HG2 GLU A 33 15.408 -32.694 -2.785 1.00 40.34 H new ATOM 0 HG3 GLU A 33 16.266 -33.455 -1.460 1.00 40.34 H new ATOM 493 N ASP A 34 16.657 -35.451 -5.705 1.00 42.13 N ATOM 494 CA ASP A 34 17.367 -36.296 -6.659 1.00 2.15 C ATOM 495 C ASP A 34 17.740 -37.633 -6.026 1.00 62.35 C ATOM 496 O ASP A 34 17.671 -38.678 -6.674 1.00 44.02 O ATOM 497 CB ASP A 34 18.625 -35.587 -7.162 1.00 64.25 C ATOM 498 CG ASP A 34 18.361 -34.745 -8.395 1.00 61.22 C ATOM 499 OD1 ASP A 34 19.288 -34.589 -9.218 1.00 22.25 O ATOM 500 OD2 ASP A 34 17.227 -34.243 -8.538 1.00 50.10 O ATOM 0 H ASP A 34 17.176 -34.626 -5.405 1.00 42.13 H new ATOM 0 HA ASP A 34 16.704 -36.486 -7.503 1.00 2.15 H new ATOM 0 HB2 ASP A 34 19.022 -34.952 -6.370 1.00 64.25 H new ATOM 0 HB3 ASP A 34 19.390 -36.329 -7.389 1.00 64.25 H new ATOM 505 N ASP A 35 18.136 -37.593 -4.759 1.00 42.31 N ATOM 506 CA ASP A 35 18.520 -38.801 -4.039 1.00 65.31 C ATOM 507 C ASP A 35 17.339 -39.757 -3.913 1.00 34.44 C ATOM 508 O ASP A 35 17.516 -40.953 -3.685 1.00 21.33 O ATOM 509 CB ASP A 35 19.055 -38.445 -2.651 1.00 63.31 C ATOM 510 CG ASP A 35 20.492 -37.963 -2.690 1.00 61.14 C ATOM 511 OD1 ASP A 35 21.092 -37.974 -3.786 1.00 1.41 O ATOM 512 OD2 ASP A 35 21.016 -37.574 -1.626 1.00 23.30 O ATOM 0 H ASP A 35 18.200 -36.736 -4.209 1.00 42.31 H new ATOM 0 HA ASP A 35 19.307 -39.298 -4.606 1.00 65.31 H new ATOM 0 HB2 ASP A 35 18.427 -37.671 -2.210 1.00 63.31 H new ATOM 0 HB3 ASP A 35 18.985 -39.319 -2.003 1.00 63.31 H new ATOM 517 N GLY A 36 16.131 -39.221 -4.061 1.00 40.11 N ATOM 518 CA GLY A 36 14.938 -40.040 -3.959 1.00 34.21 C ATOM 519 C GLY A 36 14.045 -39.623 -2.807 1.00 53.12 C ATOM 520 O GLY A 36 12.824 -39.775 -2.870 1.00 63.42 O ATOM 0 H GLY A 36 15.958 -38.234 -4.250 1.00 40.11 H new ATOM 0 HA2 GLY A 36 14.377 -39.976 -4.891 1.00 34.21 H new ATOM 0 HA3 GLY A 36 15.227 -41.083 -3.831 1.00 34.21 H new ATOM 524 N THR A 37 14.653 -39.095 -1.749 1.00 63.35 N ATOM 525 CA THR A 37 13.906 -38.657 -0.577 1.00 62.43 C ATOM 526 C THR A 37 13.038 -37.446 -0.899 1.00 64.33 C ATOM 527 O THR A 37 12.899 -37.061 -2.060 1.00 52.12 O ATOM 528 CB THR A 37 14.848 -38.304 0.590 1.00 72.45 C ATOM 529 OG1 THR A 37 15.600 -37.128 0.273 1.00 3.11 O ATOM 530 CG2 THR A 37 15.797 -39.455 0.886 1.00 63.41 C ATOM 0 H THR A 37 15.662 -38.960 -1.680 1.00 63.35 H new ATOM 0 HA THR A 37 13.268 -39.489 -0.280 1.00 62.43 H new ATOM 0 HB THR A 37 14.240 -38.118 1.476 1.00 72.45 H new ATOM 0 HG1 THR A 37 16.522 -37.234 0.588 1.00 3.11 H new ATOM 0 HG21 THR A 37 16.452 -39.183 1.713 1.00 63.41 H new ATOM 0 HG22 THR A 37 15.222 -40.341 1.155 1.00 63.41 H new ATOM 0 HG23 THR A 37 16.398 -39.668 0.002 1.00 63.41 H new ATOM 538 N VAL A 38 12.457 -36.849 0.136 1.00 51.41 N ATOM 539 CA VAL A 38 11.604 -35.679 -0.037 1.00 34.11 C ATOM 540 C VAL A 38 11.874 -34.637 1.042 1.00 3.14 C ATOM 541 O VAL A 38 11.970 -34.963 2.226 1.00 32.42 O ATOM 542 CB VAL A 38 10.112 -36.062 -0.002 1.00 62.45 C ATOM 543 CG1 VAL A 38 9.241 -34.816 0.024 1.00 52.03 C ATOM 544 CG2 VAL A 38 9.761 -36.943 -1.192 1.00 24.41 C ATOM 0 H VAL A 38 12.561 -37.156 1.103 1.00 51.41 H new ATOM 0 HA VAL A 38 11.841 -35.257 -1.014 1.00 34.11 H new ATOM 0 HB VAL A 38 9.921 -36.628 0.910 1.00 62.45 H new ATOM 0 HG11 VAL A 38 8.191 -35.107 0.049 1.00 52.03 H new ATOM 0 HG12 VAL A 38 9.475 -34.227 0.911 1.00 52.03 H new ATOM 0 HG13 VAL A 38 9.432 -34.220 -0.869 1.00 52.03 H new ATOM 0 HG21 VAL A 38 8.704 -37.204 -1.152 1.00 24.41 H new ATOM 0 HG22 VAL A 38 9.967 -36.404 -2.117 1.00 24.41 H new ATOM 0 HG23 VAL A 38 10.361 -37.853 -1.161 1.00 24.41 H new ATOM 554 N LEU A 39 11.997 -33.381 0.627 1.00 74.12 N ATOM 555 CA LEU A 39 12.256 -32.289 1.558 1.00 11.24 C ATOM 556 C LEU A 39 11.037 -32.019 2.434 1.00 14.02 C ATOM 557 O LEU A 39 9.913 -31.917 1.939 1.00 63.21 O ATOM 558 CB LEU A 39 12.640 -31.021 0.794 1.00 54.41 C ATOM 559 CG LEU A 39 13.954 -31.078 0.015 1.00 24.23 C ATOM 560 CD1 LEU A 39 14.102 -29.853 -0.874 1.00 23.32 C ATOM 561 CD2 LEU A 39 15.135 -31.193 0.969 1.00 15.21 C ATOM 0 H LEU A 39 11.921 -33.094 -0.349 1.00 74.12 H new ATOM 0 HA LEU A 39 13.085 -32.583 2.202 1.00 11.24 H new ATOM 0 HB2 LEU A 39 11.837 -30.785 0.096 1.00 54.41 H new ATOM 0 HB3 LEU A 39 12.698 -30.196 1.504 1.00 54.41 H new ATOM 0 HG LEU A 39 13.939 -31.963 -0.621 1.00 24.23 H new ATOM 0 HD11 LEU A 39 15.043 -29.912 -1.420 1.00 23.32 H new ATOM 0 HD12 LEU A 39 13.274 -29.815 -1.581 1.00 23.32 H new ATOM 0 HD13 LEU A 39 14.095 -28.954 -0.258 1.00 23.32 H new ATOM 0 HD21 LEU A 39 16.062 -31.232 0.397 1.00 15.21 H new ATOM 0 HD22 LEU A 39 15.154 -30.327 1.631 1.00 15.21 H new ATOM 0 HD23 LEU A 39 15.036 -32.102 1.563 1.00 15.21 H new ATOM 573 N LEU A 40 11.265 -31.902 3.738 1.00 61.05 N ATOM 574 CA LEU A 40 10.185 -31.641 4.683 1.00 25.33 C ATOM 575 C LEU A 40 9.327 -30.469 4.220 1.00 73.04 C ATOM 576 O LEU A 40 8.098 -30.525 4.278 1.00 24.02 O ATOM 577 CB LEU A 40 10.757 -31.352 6.072 1.00 13.35 C ATOM 578 CG LEU A 40 9.926 -31.848 7.256 1.00 22.35 C ATOM 579 CD1 LEU A 40 10.582 -31.454 8.571 1.00 73.01 C ATOM 580 CD2 LEU A 40 8.508 -31.301 7.180 1.00 23.22 C ATOM 0 H LEU A 40 12.188 -31.984 4.165 1.00 61.05 H new ATOM 0 HA LEU A 40 9.556 -32.530 4.733 1.00 25.33 H new ATOM 0 HB2 LEU A 40 11.748 -31.801 6.136 1.00 13.35 H new ATOM 0 HB3 LEU A 40 10.889 -30.275 6.172 1.00 13.35 H new ATOM 0 HG LEU A 40 9.877 -32.936 7.210 1.00 22.35 H new ATOM 0 HD11 LEU A 40 9.977 -31.815 9.402 1.00 73.01 H new ATOM 0 HD12 LEU A 40 11.577 -31.895 8.628 1.00 73.01 H new ATOM 0 HD13 LEU A 40 10.663 -30.368 8.626 1.00 73.01 H new ATOM 0 HD21 LEU A 40 7.932 -31.665 8.031 1.00 23.22 H new ATOM 0 HD22 LEU A 40 8.537 -30.212 7.200 1.00 23.22 H new ATOM 0 HD23 LEU A 40 8.039 -31.634 6.255 1.00 23.22 H new ATOM 592 N SER A 41 9.982 -29.409 3.757 1.00 54.11 N ATOM 593 CA SER A 41 9.278 -28.222 3.284 1.00 21.32 C ATOM 594 C SER A 41 8.215 -28.595 2.255 1.00 45.32 C ATOM 595 O SER A 41 7.148 -27.983 2.197 1.00 70.30 O ATOM 596 CB SER A 41 10.267 -27.226 2.676 1.00 51.13 C ATOM 597 OG SER A 41 10.111 -25.939 3.248 1.00 51.25 O ATOM 0 H SER A 41 10.999 -29.348 3.699 1.00 54.11 H new ATOM 0 HA SER A 41 8.784 -27.757 4.138 1.00 21.32 H new ATOM 0 HB2 SER A 41 11.286 -27.577 2.836 1.00 51.13 H new ATOM 0 HB3 SER A 41 10.115 -27.169 1.598 1.00 51.13 H new ATOM 0 HG SER A 41 10.756 -25.321 2.844 1.00 51.25 H new ATOM 603 N THR A 42 8.515 -29.603 1.442 1.00 24.21 N ATOM 604 CA THR A 42 7.588 -30.058 0.414 1.00 43.34 C ATOM 605 C THR A 42 6.404 -30.794 1.028 1.00 34.30 C ATOM 606 O THR A 42 5.277 -30.694 0.541 1.00 22.24 O ATOM 607 CB THR A 42 8.285 -30.985 -0.601 1.00 13.34 C ATOM 608 OG1 THR A 42 9.496 -30.380 -1.066 1.00 2.51 O ATOM 609 CG2 THR A 42 7.372 -31.277 -1.782 1.00 32.43 C ATOM 0 H THR A 42 9.394 -30.120 1.476 1.00 24.21 H new ATOM 0 HA THR A 42 7.230 -29.169 -0.104 1.00 43.34 H new ATOM 0 HB THR A 42 8.518 -31.925 -0.101 1.00 13.34 H new ATOM 0 HG1 THR A 42 9.934 -30.976 -1.709 1.00 2.51 H new ATOM 0 HG21 THR A 42 7.885 -31.933 -2.485 1.00 32.43 H new ATOM 0 HG22 THR A 42 6.464 -31.764 -1.428 1.00 32.43 H new ATOM 0 HG23 THR A 42 7.112 -30.343 -2.281 1.00 32.43 H new ATOM 617 N VAL A 43 6.665 -31.534 2.101 1.00 74.51 N ATOM 618 CA VAL A 43 5.619 -32.287 2.783 1.00 12.04 C ATOM 619 C VAL A 43 4.573 -31.354 3.384 1.00 24.02 C ATOM 620 O VAL A 43 3.376 -31.643 3.355 1.00 45.31 O ATOM 621 CB VAL A 43 6.203 -33.173 3.900 1.00 15.11 C ATOM 622 CG1 VAL A 43 5.137 -33.500 4.935 1.00 54.51 C ATOM 623 CG2 VAL A 43 6.796 -34.445 3.315 1.00 65.15 C ATOM 0 H VAL A 43 7.592 -31.628 2.517 1.00 74.51 H new ATOM 0 HA VAL A 43 5.147 -32.923 2.034 1.00 12.04 H new ATOM 0 HB VAL A 43 7.001 -32.622 4.397 1.00 15.11 H new ATOM 0 HG11 VAL A 43 5.568 -34.126 5.716 1.00 54.51 H new ATOM 0 HG12 VAL A 43 4.763 -32.576 5.376 1.00 54.51 H new ATOM 0 HG13 VAL A 43 4.315 -34.032 4.455 1.00 54.51 H new ATOM 0 HG21 VAL A 43 7.204 -35.059 4.118 1.00 65.15 H new ATOM 0 HG22 VAL A 43 6.019 -35.002 2.792 1.00 65.15 H new ATOM 0 HG23 VAL A 43 7.591 -34.187 2.615 1.00 65.15 H new ATOM 633 N THR A 44 5.033 -30.232 3.929 1.00 11.13 N ATOM 634 CA THR A 44 4.138 -29.256 4.538 1.00 1.30 C ATOM 635 C THR A 44 3.313 -28.532 3.480 1.00 34.04 C ATOM 636 O THR A 44 2.207 -28.067 3.754 1.00 54.21 O ATOM 637 CB THR A 44 4.919 -28.216 5.364 1.00 41.15 C ATOM 638 OG1 THR A 44 5.699 -27.386 4.495 1.00 34.10 O ATOM 639 CG2 THR A 44 5.830 -28.899 6.372 1.00 32.24 C ATOM 0 H THR A 44 6.020 -29.977 3.961 1.00 11.13 H new ATOM 0 HA THR A 44 3.471 -29.808 5.200 1.00 1.30 H new ATOM 0 HB THR A 44 4.200 -27.601 5.906 1.00 41.15 H new ATOM 0 HG1 THR A 44 6.077 -27.931 3.774 1.00 34.10 H new ATOM 0 HG21 THR A 44 6.371 -28.145 6.943 1.00 32.24 H new ATOM 0 HG22 THR A 44 5.231 -29.507 7.050 1.00 32.24 H new ATOM 0 HG23 THR A 44 6.542 -29.535 5.846 1.00 32.24 H new ATOM 647 N ALA A 45 3.857 -28.441 2.271 1.00 30.24 N ATOM 648 CA ALA A 45 3.169 -27.776 1.172 1.00 71.32 C ATOM 649 C ALA A 45 1.738 -28.284 1.033 1.00 73.14 C ATOM 650 O ALA A 45 0.799 -27.496 0.923 1.00 73.34 O ATOM 651 CB ALA A 45 3.932 -27.980 -0.129 1.00 21.14 C ATOM 0 H ALA A 45 4.772 -28.820 2.028 1.00 30.24 H new ATOM 0 HA ALA A 45 3.129 -26.710 1.393 1.00 71.32 H new ATOM 0 HB1 ALA A 45 3.407 -27.478 -0.941 1.00 21.14 H new ATOM 0 HB2 ALA A 45 4.934 -27.563 -0.032 1.00 21.14 H new ATOM 0 HB3 ALA A 45 4.002 -29.046 -0.346 1.00 21.14 H new ATOM 657 N GLN A 46 1.580 -29.604 1.038 1.00 52.34 N ATOM 658 CA GLN A 46 0.262 -30.215 0.910 1.00 23.42 C ATOM 659 C GLN A 46 -0.222 -30.749 2.254 1.00 32.13 C ATOM 660 O GLN A 46 -1.416 -30.713 2.554 1.00 22.23 O ATOM 661 CB GLN A 46 0.300 -31.347 -0.118 1.00 35.30 C ATOM 662 CG GLN A 46 1.316 -31.129 -1.227 1.00 53.52 C ATOM 663 CD GLN A 46 1.335 -32.263 -2.233 1.00 4.23 C ATOM 664 OE1 GLN A 46 1.333 -32.035 -3.443 1.00 24.21 O ATOM 665 NE2 GLN A 46 1.355 -33.494 -1.736 1.00 73.32 N ATOM 0 H GLN A 46 2.347 -30.270 1.129 1.00 52.34 H new ATOM 0 HA GLN A 46 -0.435 -29.449 0.571 1.00 23.42 H new ATOM 0 HB2 GLN A 46 0.528 -32.283 0.393 1.00 35.30 H new ATOM 0 HB3 GLN A 46 -0.690 -31.458 -0.560 1.00 35.30 H new ATOM 0 HG2 GLN A 46 1.091 -30.195 -1.742 1.00 53.52 H new ATOM 0 HG3 GLN A 46 2.308 -31.020 -0.789 1.00 53.52 H new ATOM 0 HE21 GLN A 46 1.356 -33.636 -0.726 1.00 73.32 H new ATOM 0 HE22 GLN A 46 1.370 -34.297 -2.364 1.00 73.32 H new ATOM 674 N PHE A 47 0.711 -31.244 3.060 1.00 63.40 N ATOM 675 CA PHE A 47 0.379 -31.787 4.372 1.00 22.21 C ATOM 676 C PHE A 47 1.011 -30.952 5.482 1.00 64.41 C ATOM 677 O PHE A 47 2.034 -31.318 6.063 1.00 53.14 O ATOM 678 CB PHE A 47 0.848 -33.239 4.480 1.00 25.44 C ATOM 679 CG PHE A 47 0.741 -34.002 3.191 1.00 41.12 C ATOM 680 CD1 PHE A 47 -0.439 -33.998 2.464 1.00 4.33 C ATOM 681 CD2 PHE A 47 1.820 -34.723 2.705 1.00 31.44 C ATOM 682 CE1 PHE A 47 -0.541 -34.698 1.277 1.00 43.01 C ATOM 683 CE2 PHE A 47 1.724 -35.425 1.519 1.00 71.14 C ATOM 684 CZ PHE A 47 0.542 -35.413 0.804 1.00 32.41 C ATOM 0 H PHE A 47 1.704 -31.280 2.828 1.00 63.40 H new ATOM 0 HA PHE A 47 -0.704 -31.753 4.488 1.00 22.21 H new ATOM 0 HB2 PHE A 47 1.885 -33.253 4.816 1.00 25.44 H new ATOM 0 HB3 PHE A 47 0.258 -33.747 5.243 1.00 25.44 H new ATOM 0 HD1 PHE A 47 -1.289 -33.441 2.830 1.00 4.33 H new ATOM 0 HD2 PHE A 47 2.747 -34.736 3.260 1.00 31.44 H new ATOM 0 HE1 PHE A 47 -1.466 -34.686 0.720 1.00 43.01 H new ATOM 0 HE2 PHE A 47 2.572 -35.983 1.151 1.00 71.14 H new ATOM 0 HZ PHE A 47 0.465 -35.962 -0.123 1.00 32.41 H new ATOM 694 N PRO A 48 0.390 -29.803 5.784 1.00 11.20 N ATOM 695 CA PRO A 48 0.873 -28.892 6.826 1.00 44.54 C ATOM 696 C PRO A 48 0.699 -29.468 8.227 1.00 42.25 C ATOM 697 O PRO A 48 -0.386 -29.918 8.593 1.00 43.51 O ATOM 698 CB PRO A 48 -0.003 -27.650 6.645 1.00 13.23 C ATOM 699 CG PRO A 48 -1.251 -28.156 6.009 1.00 35.41 C ATOM 700 CD PRO A 48 -0.833 -29.304 5.133 1.00 60.34 C ATOM 0 HA PRO A 48 1.941 -28.695 6.732 1.00 44.54 H new ATOM 0 HB2 PRO A 48 -0.212 -27.170 7.601 1.00 13.23 H new ATOM 0 HB3 PRO A 48 0.488 -26.907 6.017 1.00 13.23 H new ATOM 0 HG2 PRO A 48 -1.969 -28.481 6.762 1.00 35.41 H new ATOM 0 HG3 PRO A 48 -1.735 -27.374 5.423 1.00 35.41 H new ATOM 0 HD2 PRO A 48 -1.604 -30.073 5.083 1.00 60.34 H new ATOM 0 HD3 PRO A 48 -0.640 -28.980 4.110 1.00 60.34 H new ATOM 708 N GLY A 49 1.776 -29.451 9.007 1.00 52.32 N ATOM 709 CA GLY A 49 1.720 -29.974 10.359 1.00 21.22 C ATOM 710 C GLY A 49 2.111 -31.437 10.431 1.00 3.13 C ATOM 711 O GLY A 49 2.629 -31.898 11.448 1.00 64.44 O ATOM 0 H GLY A 49 2.686 -29.084 8.726 1.00 52.32 H new ATOM 0 HA2 GLY A 49 2.384 -29.392 10.998 1.00 21.22 H new ATOM 0 HA3 GLY A 49 0.711 -29.851 10.751 1.00 21.22 H new ATOM 715 N ALA A 50 1.861 -32.169 9.350 1.00 3.43 N ATOM 716 CA ALA A 50 2.191 -33.587 9.295 1.00 22.32 C ATOM 717 C ALA A 50 3.646 -33.828 9.685 1.00 34.31 C ATOM 718 O ALA A 50 4.564 -33.430 8.968 1.00 24.11 O ATOM 719 CB ALA A 50 1.917 -34.139 7.904 1.00 63.10 C ATOM 0 H ALA A 50 1.431 -31.803 8.501 1.00 3.43 H new ATOM 0 HA ALA A 50 1.559 -34.110 10.013 1.00 22.32 H new ATOM 0 HB1 ALA A 50 2.168 -35.199 7.877 1.00 63.10 H new ATOM 0 HB2 ALA A 50 0.862 -34.010 7.663 1.00 63.10 H new ATOM 0 HB3 ALA A 50 2.524 -33.604 7.174 1.00 63.10 H new ATOM 725 N CYS A 51 3.847 -34.481 10.824 1.00 22.02 N ATOM 726 CA CYS A 51 5.191 -34.774 11.310 1.00 1.32 C ATOM 727 C CYS A 51 5.722 -36.064 10.695 1.00 24.45 C ATOM 728 O CYS A 51 6.866 -36.125 10.246 1.00 21.33 O ATOM 729 CB CYS A 51 5.192 -34.883 12.836 1.00 53.14 C ATOM 730 SG CYS A 51 6.800 -34.566 13.598 1.00 65.22 S ATOM 0 H CYS A 51 3.097 -34.818 11.428 1.00 22.02 H new ATOM 0 HA CYS A 51 5.845 -33.955 11.012 1.00 1.32 H new ATOM 0 HB2 CYS A 51 4.465 -34.178 13.240 1.00 53.14 H new ATOM 0 HB3 CYS A 51 4.859 -35.882 13.118 1.00 53.14 H new ATOM 0 HG CYS A 51 6.698 -34.680 14.889 1.00 65.22 H new ATOM 736 N GLY A 52 4.884 -37.096 10.681 1.00 74.14 N ATOM 737 CA GLY A 52 5.287 -38.373 10.121 1.00 45.53 C ATOM 738 C GLY A 52 4.242 -38.954 9.190 1.00 31.31 C ATOM 739 O GLY A 52 3.042 -38.765 9.396 1.00 23.44 O ATOM 0 H GLY A 52 3.933 -37.071 11.048 1.00 74.14 H new ATOM 0 HA2 GLY A 52 6.224 -38.249 9.578 1.00 45.53 H new ATOM 0 HA3 GLY A 52 5.479 -39.077 10.931 1.00 45.53 H new ATOM 743 N LEU A 53 4.696 -39.662 8.162 1.00 72.50 N ATOM 744 CA LEU A 53 3.791 -40.273 7.194 1.00 13.13 C ATOM 745 C LEU A 53 3.868 -41.795 7.262 1.00 55.24 C ATOM 746 O LEU A 53 4.946 -42.365 7.428 1.00 12.04 O ATOM 747 CB LEU A 53 4.127 -39.796 5.780 1.00 1.14 C ATOM 748 CG LEU A 53 4.416 -38.302 5.627 1.00 73.22 C ATOM 749 CD1 LEU A 53 3.473 -37.484 6.496 1.00 23.32 C ATOM 750 CD2 LEU A 53 5.865 -38.000 5.978 1.00 63.21 C ATOM 0 H LEU A 53 5.685 -39.827 7.977 1.00 72.50 H new ATOM 0 HA LEU A 53 2.774 -39.968 7.441 1.00 13.13 H new ATOM 0 HB2 LEU A 53 4.996 -40.352 5.427 1.00 1.14 H new ATOM 0 HB3 LEU A 53 3.296 -40.054 5.124 1.00 1.14 H new ATOM 0 HG LEU A 53 4.250 -38.024 4.586 1.00 73.22 H new ATOM 0 HD11 LEU A 53 3.694 -36.424 6.374 1.00 23.32 H new ATOM 0 HD12 LEU A 53 2.443 -37.677 6.197 1.00 23.32 H new ATOM 0 HD13 LEU A 53 3.606 -37.764 7.541 1.00 23.32 H new ATOM 0 HD21 LEU A 53 6.052 -36.932 5.863 1.00 63.21 H new ATOM 0 HD22 LEU A 53 6.058 -38.294 7.010 1.00 63.21 H new ATOM 0 HD23 LEU A 53 6.524 -38.557 5.313 1.00 63.21 H new ATOM 762 N ARG A 54 2.717 -42.447 7.129 1.00 40.44 N ATOM 763 CA ARG A 54 2.654 -43.903 7.173 1.00 2.53 C ATOM 764 C ARG A 54 2.418 -44.479 5.780 1.00 24.55 C ATOM 765 O ARG A 54 2.039 -43.761 4.856 1.00 53.32 O ATOM 766 CB ARG A 54 1.542 -44.357 8.120 1.00 23.44 C ATOM 767 CG ARG A 54 1.902 -45.590 8.934 1.00 75.23 C ATOM 768 CD ARG A 54 1.736 -45.342 10.425 1.00 55.43 C ATOM 769 NE ARG A 54 0.458 -45.844 10.925 1.00 44.25 N ATOM 770 CZ ARG A 54 0.217 -47.128 11.165 1.00 10.30 C ATOM 771 NH1 ARG A 54 1.161 -48.034 10.953 1.00 30.20 N ATOM 772 NH2 ARG A 54 -0.971 -47.507 11.619 1.00 3.11 N ATOM 0 H ARG A 54 1.816 -41.990 6.990 1.00 40.44 H new ATOM 0 HA ARG A 54 3.610 -44.273 7.543 1.00 2.53 H new ATOM 0 HB2 ARG A 54 1.300 -43.541 8.800 1.00 23.44 H new ATOM 0 HB3 ARG A 54 0.644 -44.565 7.539 1.00 23.44 H new ATOM 0 HG2 ARG A 54 1.270 -46.425 8.630 1.00 75.23 H new ATOM 0 HG3 ARG A 54 2.932 -45.877 8.724 1.00 75.23 H new ATOM 0 HD2 ARG A 54 2.551 -45.824 10.965 1.00 55.43 H new ATOM 0 HD3 ARG A 54 1.809 -44.273 10.625 1.00 55.43 H new ATOM 0 HE ARG A 54 -0.289 -45.172 11.099 1.00 44.25 H new ATOM 0 HH11 ARG A 54 2.075 -47.746 10.605 1.00 30.20 H new ATOM 0 HH12 ARG A 54 0.973 -49.019 11.138 1.00 30.20 H new ATOM 0 HH21 ARG A 54 -1.699 -46.812 11.784 1.00 3.11 H new ATOM 0 HH22 ARG A 54 -1.156 -48.493 11.803 1.00 3.11 H new ATOM 786 N TYR A 55 2.646 -45.780 5.638 1.00 24.35 N ATOM 787 CA TYR A 55 2.462 -46.453 4.358 1.00 32.43 C ATOM 788 C TYR A 55 1.170 -47.264 4.350 1.00 35.34 C ATOM 789 O TYR A 55 0.920 -48.065 5.252 1.00 3.41 O ATOM 790 CB TYR A 55 3.652 -47.367 4.062 1.00 22.24 C ATOM 791 CG TYR A 55 4.445 -46.953 2.843 1.00 32.41 C ATOM 792 CD1 TYR A 55 3.859 -46.934 1.583 1.00 12.23 C ATOM 793 CD2 TYR A 55 5.780 -46.583 2.950 1.00 34.23 C ATOM 794 CE1 TYR A 55 4.579 -46.557 0.466 1.00 21.22 C ATOM 795 CE2 TYR A 55 6.507 -46.204 1.839 1.00 41.20 C ATOM 796 CZ TYR A 55 5.903 -46.193 0.599 1.00 14.43 C ATOM 797 OH TYR A 55 6.624 -45.817 -0.510 1.00 43.44 O ATOM 0 H TYR A 55 2.959 -46.389 6.394 1.00 24.35 H new ATOM 0 HA TYR A 55 2.396 -45.690 3.582 1.00 32.43 H new ATOM 0 HB2 TYR A 55 4.314 -47.380 4.928 1.00 22.24 H new ATOM 0 HB3 TYR A 55 3.291 -48.386 3.921 1.00 22.24 H new ATOM 0 HD1 TYR A 55 2.823 -47.219 1.475 1.00 12.23 H new ATOM 0 HD2 TYR A 55 6.257 -46.592 3.919 1.00 34.23 H new ATOM 0 HE1 TYR A 55 4.108 -46.547 -0.506 1.00 21.22 H new ATOM 0 HE2 TYR A 55 7.543 -45.918 1.940 1.00 41.20 H new ATOM 0 HH TYR A 55 6.009 -45.565 -1.230 1.00 43.44 H new ATOM 807 N ARG A 56 0.351 -47.051 3.325 1.00 22.12 N ATOM 808 CA ARG A 56 -0.916 -47.761 3.199 1.00 40.13 C ATOM 809 C ARG A 56 -1.039 -48.413 1.825 1.00 62.42 C ATOM 810 O ARG A 56 -1.390 -47.758 0.845 1.00 72.12 O ATOM 811 CB ARG A 56 -2.087 -46.803 3.427 1.00 44.35 C ATOM 812 CG ARG A 56 -3.406 -47.310 2.869 1.00 34.20 C ATOM 813 CD ARG A 56 -3.724 -48.708 3.375 1.00 33.45 C ATOM 814 NE ARG A 56 -4.895 -49.277 2.713 1.00 20.43 N ATOM 815 CZ ARG A 56 -5.626 -50.259 3.229 1.00 15.11 C ATOM 816 NH1 ARG A 56 -5.310 -50.777 4.408 1.00 62.24 N ATOM 817 NH2 ARG A 56 -6.678 -50.723 2.566 1.00 63.51 N ATOM 0 H ARG A 56 0.542 -46.392 2.570 1.00 22.12 H new ATOM 0 HA ARG A 56 -0.942 -48.543 3.958 1.00 40.13 H new ATOM 0 HB2 ARG A 56 -2.198 -46.627 4.497 1.00 44.35 H new ATOM 0 HB3 ARG A 56 -1.854 -45.842 2.969 1.00 44.35 H new ATOM 0 HG2 ARG A 56 -4.208 -46.628 3.152 1.00 34.20 H new ATOM 0 HG3 ARG A 56 -3.363 -47.317 1.780 1.00 34.20 H new ATOM 0 HD2 ARG A 56 -2.864 -49.357 3.211 1.00 33.45 H new ATOM 0 HD3 ARG A 56 -3.897 -48.674 4.451 1.00 33.45 H new ATOM 0 HE ARG A 56 -5.166 -48.900 1.805 1.00 20.43 H new ATOM 0 HH11 ARG A 56 -4.504 -50.422 4.922 1.00 62.24 H new ATOM 0 HH12 ARG A 56 -5.873 -51.531 4.801 1.00 62.24 H new ATOM 0 HH21 ARG A 56 -6.926 -50.326 1.660 1.00 63.51 H new ATOM 0 HH22 ARG A 56 -7.239 -51.477 2.963 1.00 63.51 H new ATOM 831 N ASN A 57 -0.746 -49.708 1.762 1.00 32.42 N ATOM 832 CA ASN A 57 -0.823 -50.449 0.508 1.00 22.55 C ATOM 833 C ASN A 57 -1.844 -51.578 0.605 1.00 34.54 C ATOM 834 O ASN A 57 -1.936 -52.282 1.612 1.00 43.31 O ATOM 835 CB ASN A 57 0.550 -51.019 0.144 1.00 52.44 C ATOM 836 CG ASN A 57 0.899 -50.795 -1.315 1.00 3.00 C ATOM 837 OD1 ASN A 57 0.449 -49.829 -1.932 1.00 21.33 O ATOM 838 ND2 ASN A 57 1.706 -51.690 -1.874 1.00 11.22 N ATOM 0 H ASN A 57 -0.453 -50.266 2.564 1.00 32.42 H new ATOM 0 HA ASN A 57 -1.143 -49.760 -0.274 1.00 22.55 H new ATOM 0 HB2 ASN A 57 1.311 -50.556 0.772 1.00 52.44 H new ATOM 0 HB3 ASN A 57 0.566 -52.087 0.359 1.00 52.44 H new ATOM 0 HD21 ASN A 57 1.976 -51.592 -2.853 1.00 11.22 H new ATOM 0 HD22 ASN A 57 2.055 -52.475 -1.325 1.00 11.22 H new ATOM 845 N PRO A 58 -2.632 -51.758 -0.466 1.00 4.34 N ATOM 846 CA PRO A 58 -3.660 -52.800 -0.527 1.00 31.54 C ATOM 847 C PRO A 58 -3.062 -54.201 -0.610 1.00 3.41 C ATOM 848 O PRO A 58 -3.634 -55.163 -0.097 1.00 4.52 O ATOM 849 CB PRO A 58 -4.426 -52.469 -1.810 1.00 2.01 C ATOM 850 CG PRO A 58 -3.447 -51.728 -2.654 1.00 53.21 C ATOM 851 CD PRO A 58 -2.578 -50.956 -1.700 1.00 20.41 C ATOM 0 HA PRO A 58 -4.283 -52.810 0.367 1.00 31.54 H new ATOM 0 HB2 PRO A 58 -4.774 -53.374 -2.308 1.00 2.01 H new ATOM 0 HB3 PRO A 58 -5.307 -51.862 -1.600 1.00 2.01 H new ATOM 0 HG2 PRO A 58 -2.852 -52.415 -3.255 1.00 53.21 H new ATOM 0 HG3 PRO A 58 -3.957 -51.058 -3.346 1.00 53.21 H new ATOM 0 HD2 PRO A 58 -1.558 -50.860 -2.073 1.00 20.41 H new ATOM 0 HD3 PRO A 58 -2.955 -49.946 -1.540 1.00 20.41 H new ATOM 859 N VAL A 59 -1.907 -54.308 -1.259 1.00 42.02 N ATOM 860 CA VAL A 59 -1.230 -55.591 -1.408 1.00 41.32 C ATOM 861 C VAL A 59 -0.422 -55.934 -0.162 1.00 2.32 C ATOM 862 O VAL A 59 -0.264 -57.104 0.186 1.00 40.03 O ATOM 863 CB VAL A 59 -0.293 -55.592 -2.631 1.00 30.33 C ATOM 864 CG1 VAL A 59 -1.084 -55.369 -3.910 1.00 53.23 C ATOM 865 CG2 VAL A 59 0.790 -54.536 -2.473 1.00 22.14 C ATOM 0 H VAL A 59 -1.421 -53.522 -1.690 1.00 42.02 H new ATOM 0 HA VAL A 59 -2.005 -56.343 -1.553 1.00 41.32 H new ATOM 0 HB VAL A 59 0.189 -56.567 -2.696 1.00 30.33 H new ATOM 0 HG11 VAL A 59 -0.405 -55.373 -4.763 1.00 53.23 H new ATOM 0 HG12 VAL A 59 -1.819 -56.166 -4.027 1.00 53.23 H new ATOM 0 HG13 VAL A 59 -1.596 -54.408 -3.858 1.00 53.23 H new ATOM 0 HG21 VAL A 59 1.443 -54.551 -3.346 1.00 22.14 H new ATOM 0 HG22 VAL A 59 0.329 -53.553 -2.381 1.00 22.14 H new ATOM 0 HG23 VAL A 59 1.376 -54.747 -1.578 1.00 22.14 H new ATOM 875 N SER A 60 0.088 -54.905 0.508 1.00 41.12 N ATOM 876 CA SER A 60 0.883 -55.097 1.715 1.00 65.12 C ATOM 877 C SER A 60 -0.014 -55.230 2.941 1.00 10.45 C ATOM 878 O SER A 60 0.340 -55.898 3.912 1.00 34.13 O ATOM 879 CB SER A 60 1.854 -53.930 1.903 1.00 41.53 C ATOM 880 OG SER A 60 2.771 -54.192 2.951 1.00 70.22 O ATOM 0 H SER A 60 -0.035 -53.930 0.235 1.00 41.12 H new ATOM 0 HA SER A 60 1.453 -56.019 1.602 1.00 65.12 H new ATOM 0 HB2 SER A 60 2.398 -53.753 0.975 1.00 41.53 H new ATOM 0 HB3 SER A 60 1.295 -53.020 2.123 1.00 41.53 H new ATOM 0 HG SER A 60 3.381 -53.432 3.049 1.00 70.22 H new ATOM 886 N GLN A 61 -1.176 -54.587 2.888 1.00 34.35 N ATOM 887 CA GLN A 61 -2.125 -54.632 3.995 1.00 23.52 C ATOM 888 C GLN A 61 -1.533 -53.991 5.246 1.00 43.12 C ATOM 889 O GLN A 61 -1.647 -54.532 6.346 1.00 24.32 O ATOM 890 CB GLN A 61 -2.527 -56.078 4.291 1.00 32.30 C ATOM 891 CG GLN A 61 -2.934 -56.862 3.054 1.00 52.24 C ATOM 892 CD GLN A 61 -3.159 -58.333 3.342 1.00 24.10 C ATOM 893 OE1 GLN A 61 -2.210 -59.114 3.422 1.00 43.33 O ATOM 894 NE2 GLN A 61 -4.419 -58.720 3.501 1.00 41.03 N ATOM 0 H GLN A 61 -1.483 -54.029 2.091 1.00 34.35 H new ATOM 0 HA GLN A 61 -3.011 -54.068 3.704 1.00 23.52 H new ATOM 0 HB2 GLN A 61 -1.693 -56.586 4.775 1.00 32.30 H new ATOM 0 HB3 GLN A 61 -3.355 -56.078 5.000 1.00 32.30 H new ATOM 0 HG2 GLN A 61 -3.847 -56.433 2.641 1.00 52.24 H new ATOM 0 HG3 GLN A 61 -2.161 -56.759 2.293 1.00 52.24 H new ATOM 0 HE21 GLN A 61 -5.175 -58.039 3.426 1.00 41.03 H new ATOM 0 HE22 GLN A 61 -4.631 -59.698 3.698 1.00 41.03 H new ATOM 903 N CYS A 62 -0.901 -52.836 5.069 1.00 2.14 N ATOM 904 CA CYS A 62 -0.289 -52.121 6.184 1.00 15.11 C ATOM 905 C CYS A 62 0.879 -52.913 6.763 1.00 55.31 C ATOM 906 O CYS A 62 0.700 -54.019 7.271 1.00 72.33 O ATOM 907 CB CYS A 62 -1.328 -51.850 7.274 1.00 44.20 C ATOM 908 SG CYS A 62 -1.481 -50.107 7.730 1.00 52.20 S ATOM 0 H CYS A 62 -0.799 -52.375 4.165 1.00 2.14 H new ATOM 0 HA CYS A 62 0.091 -51.171 5.810 1.00 15.11 H new ATOM 0 HB2 CYS A 62 -2.298 -52.212 6.934 1.00 44.20 H new ATOM 0 HB3 CYS A 62 -1.066 -52.425 8.162 1.00 44.20 H new ATOM 0 HG CYS A 62 -2.384 -49.978 8.656 1.00 52.20 H new ATOM 914 N MET A 63 2.074 -52.338 6.681 1.00 23.51 N ATOM 915 CA MET A 63 3.272 -52.991 7.197 1.00 60.44 C ATOM 916 C MET A 63 4.490 -52.085 7.052 1.00 3.12 C ATOM 917 O MET A 63 5.373 -52.075 7.910 1.00 2.10 O ATOM 918 CB MET A 63 3.515 -54.312 6.463 1.00 14.03 C ATOM 919 CG MET A 63 3.765 -55.487 7.394 1.00 31.15 C ATOM 920 SD MET A 63 5.331 -55.353 8.277 1.00 4.41 S ATOM 921 CE MET A 63 4.782 -55.536 9.972 1.00 60.41 C ATOM 0 H MET A 63 2.239 -51.422 6.263 1.00 23.51 H new ATOM 0 HA MET A 63 3.117 -53.195 8.256 1.00 60.44 H new ATOM 0 HB2 MET A 63 2.652 -54.534 5.835 1.00 14.03 H new ATOM 0 HB3 MET A 63 4.371 -54.197 5.798 1.00 14.03 H new ATOM 0 HG2 MET A 63 2.950 -55.554 8.115 1.00 31.15 H new ATOM 0 HG3 MET A 63 3.756 -56.411 6.816 1.00 31.15 H new ATOM 0 HE1 MET A 63 5.640 -55.475 10.641 1.00 60.41 H new ATOM 0 HE2 MET A 63 4.076 -54.741 10.214 1.00 60.41 H new ATOM 0 HE3 MET A 63 4.295 -56.503 10.094 1.00 60.41 H new ATOM 931 N ARG A 64 4.531 -51.325 5.962 1.00 23.44 N ATOM 932 CA ARG A 64 5.642 -50.417 5.706 1.00 42.13 C ATOM 933 C ARG A 64 5.400 -49.062 6.365 1.00 23.32 C ATOM 934 O ARG A 64 4.424 -48.879 7.091 1.00 60.20 O ATOM 935 CB ARG A 64 5.842 -50.235 4.200 1.00 4.50 C ATOM 936 CG ARG A 64 7.253 -50.552 3.730 1.00 35.32 C ATOM 937 CD ARG A 64 7.742 -49.536 2.710 1.00 2.05 C ATOM 938 NE ARG A 64 8.195 -50.173 1.477 1.00 54.04 N ATOM 939 CZ ARG A 64 7.371 -50.614 0.532 1.00 31.15 C ATOM 940 NH1 ARG A 64 6.059 -50.487 0.680 1.00 24.52 N ATOM 941 NH2 ARG A 64 7.859 -51.183 -0.563 1.00 13.24 N ATOM 0 H ARG A 64 3.808 -51.320 5.243 1.00 23.44 H new ATOM 0 HA ARG A 64 6.543 -50.855 6.136 1.00 42.13 H new ATOM 0 HB2 ARG A 64 5.139 -50.876 3.669 1.00 4.50 H new ATOM 0 HB3 ARG A 64 5.601 -49.206 3.932 1.00 4.50 H new ATOM 0 HG2 ARG A 64 7.928 -50.564 4.585 1.00 35.32 H new ATOM 0 HG3 ARG A 64 7.276 -51.550 3.291 1.00 35.32 H new ATOM 0 HD2 ARG A 64 6.938 -48.836 2.482 1.00 2.05 H new ATOM 0 HD3 ARG A 64 8.559 -48.956 3.139 1.00 2.05 H new ATOM 0 HE ARG A 64 9.198 -50.286 1.333 1.00 54.04 H new ATOM 0 HH11 ARG A 64 5.680 -50.050 1.520 1.00 24.52 H new ATOM 0 HH12 ARG A 64 5.429 -50.826 -0.047 1.00 24.52 H new ATOM 0 HH21 ARG A 64 8.867 -51.282 -0.680 1.00 13.24 H new ATOM 0 HH22 ARG A 64 7.226 -51.521 -1.288 1.00 13.24 H new ATOM 955 N GLY A 65 6.298 -48.115 6.107 1.00 34.44 N ATOM 956 CA GLY A 65 6.164 -46.790 6.684 1.00 62.31 C ATOM 957 C GLY A 65 7.259 -45.846 6.227 1.00 31.52 C ATOM 958 O GLY A 65 8.445 -46.148 6.361 1.00 32.24 O ATOM 0 H GLY A 65 7.115 -48.242 5.509 1.00 34.44 H new ATOM 0 HA2 GLY A 65 5.194 -46.375 6.412 1.00 62.31 H new ATOM 0 HA3 GLY A 65 6.185 -46.867 7.771 1.00 62.31 H new ATOM 962 N VAL A 66 6.861 -44.700 5.684 1.00 63.21 N ATOM 963 CA VAL A 66 7.817 -43.709 5.205 1.00 63.11 C ATOM 964 C VAL A 66 8.820 -43.342 6.293 1.00 62.20 C ATOM 965 O VAL A 66 8.446 -43.105 7.442 1.00 42.24 O ATOM 966 CB VAL A 66 7.106 -42.430 4.725 1.00 44.22 C ATOM 967 CG1 VAL A 66 8.123 -41.384 4.293 1.00 11.23 C ATOM 968 CG2 VAL A 66 6.144 -42.749 3.591 1.00 32.30 C ATOM 0 H VAL A 66 5.883 -44.435 5.565 1.00 63.21 H new ATOM 0 HA VAL A 66 8.346 -44.159 4.365 1.00 63.11 H new ATOM 0 HB VAL A 66 6.530 -42.022 5.556 1.00 44.22 H new ATOM 0 HG11 VAL A 66 7.602 -40.487 3.957 1.00 11.23 H new ATOM 0 HG12 VAL A 66 8.769 -41.135 5.135 1.00 11.23 H new ATOM 0 HG13 VAL A 66 8.728 -41.780 3.477 1.00 11.23 H new ATOM 0 HG21 VAL A 66 5.650 -41.834 3.264 1.00 32.30 H new ATOM 0 HG22 VAL A 66 6.696 -43.181 2.756 1.00 32.30 H new ATOM 0 HG23 VAL A 66 5.395 -43.461 3.938 1.00 32.30 H new ATOM 978 N ARG A 67 10.096 -43.297 5.923 1.00 31.13 N ATOM 979 CA ARG A 67 11.154 -42.960 6.868 1.00 13.41 C ATOM 980 C ARG A 67 11.360 -41.449 6.937 1.00 70.34 C ATOM 981 O ARG A 67 11.284 -40.755 5.922 1.00 3.10 O ATOM 982 CB ARG A 67 12.461 -43.646 6.469 1.00 23.12 C ATOM 983 CG ARG A 67 13.668 -43.163 7.257 1.00 31.13 C ATOM 984 CD ARG A 67 13.534 -43.490 8.736 1.00 2.24 C ATOM 985 NE ARG A 67 14.434 -42.685 9.558 1.00 10.12 N ATOM 986 CZ ARG A 67 15.719 -42.971 9.738 1.00 35.24 C ATOM 987 NH1 ARG A 67 16.251 -44.037 9.157 1.00 23.23 N ATOM 988 NH2 ARG A 67 16.473 -42.190 10.501 1.00 61.22 N ATOM 0 H ARG A 67 10.422 -43.490 4.976 1.00 31.13 H new ATOM 0 HA ARG A 67 10.853 -43.314 7.854 1.00 13.41 H new ATOM 0 HB2 ARG A 67 12.354 -44.722 6.608 1.00 23.12 H new ATOM 0 HB3 ARG A 67 12.640 -43.478 5.407 1.00 23.12 H new ATOM 0 HG2 ARG A 67 14.572 -43.626 6.861 1.00 31.13 H new ATOM 0 HG3 ARG A 67 13.780 -42.086 7.130 1.00 31.13 H new ATOM 0 HD2 ARG A 67 12.505 -43.321 9.053 1.00 2.24 H new ATOM 0 HD3 ARG A 67 13.747 -44.547 8.894 1.00 2.24 H new ATOM 0 HE ARG A 67 14.055 -41.858 10.019 1.00 10.12 H new ATOM 0 HH11 ARG A 67 15.674 -44.640 8.570 1.00 23.23 H new ATOM 0 HH12 ARG A 67 17.238 -44.255 9.296 1.00 23.23 H new ATOM 0 HH21 ARG A 67 16.066 -41.369 10.950 1.00 61.22 H new ATOM 0 HH22 ARG A 67 17.459 -42.410 10.639 1.00 61.22 H new ATOM 1002 N LEU A 68 11.620 -40.947 8.139 1.00 41.15 N ATOM 1003 CA LEU A 68 11.837 -39.518 8.340 1.00 31.52 C ATOM 1004 C LEU A 68 13.146 -39.266 9.082 1.00 54.30 C ATOM 1005 O LEU A 68 13.319 -39.699 10.221 1.00 25.11 O ATOM 1006 CB LEU A 68 10.670 -38.910 9.120 1.00 72.51 C ATOM 1007 CG LEU A 68 10.816 -37.439 9.507 1.00 12.55 C ATOM 1008 CD1 LEU A 68 11.587 -37.304 10.811 1.00 45.30 C ATOM 1009 CD2 LEU A 68 11.503 -36.660 8.395 1.00 4.14 C ATOM 0 H LEU A 68 11.686 -41.507 8.989 1.00 41.15 H new ATOM 0 HA LEU A 68 11.898 -39.043 7.361 1.00 31.52 H new ATOM 0 HB2 LEU A 68 9.764 -39.020 8.524 1.00 72.51 H new ATOM 0 HB3 LEU A 68 10.525 -39.492 10.030 1.00 72.51 H new ATOM 0 HG LEU A 68 9.820 -37.021 9.653 1.00 12.55 H new ATOM 0 HD11 LEU A 68 11.681 -36.250 11.071 1.00 45.30 H new ATOM 0 HD12 LEU A 68 11.054 -37.827 11.605 1.00 45.30 H new ATOM 0 HD13 LEU A 68 12.580 -37.739 10.693 1.00 45.30 H new ATOM 0 HD21 LEU A 68 11.598 -35.615 8.688 1.00 4.14 H new ATOM 0 HD22 LEU A 68 12.493 -37.078 8.216 1.00 4.14 H new ATOM 0 HD23 LEU A 68 10.910 -36.728 7.483 1.00 4.14 H new ATOM 1021 N VAL A 69 14.063 -38.560 8.429 1.00 2.51 N ATOM 1022 CA VAL A 69 15.355 -38.246 9.028 1.00 40.33 C ATOM 1023 C VAL A 69 15.767 -36.810 8.724 1.00 1.40 C ATOM 1024 O VAL A 69 15.922 -36.431 7.564 1.00 52.43 O ATOM 1025 CB VAL A 69 16.454 -39.201 8.524 1.00 13.34 C ATOM 1026 CG1 VAL A 69 16.435 -39.284 7.006 1.00 55.13 C ATOM 1027 CG2 VAL A 69 17.819 -38.753 9.025 1.00 54.11 C ATOM 0 H VAL A 69 13.936 -38.195 7.485 1.00 2.51 H new ATOM 0 HA VAL A 69 15.243 -38.369 10.105 1.00 40.33 H new ATOM 0 HB VAL A 69 16.256 -40.197 8.920 1.00 13.34 H new ATOM 0 HG11 VAL A 69 17.218 -39.963 6.669 1.00 55.13 H new ATOM 0 HG12 VAL A 69 15.465 -39.655 6.674 1.00 55.13 H new ATOM 0 HG13 VAL A 69 16.608 -38.293 6.585 1.00 55.13 H new ATOM 0 HG21 VAL A 69 18.584 -39.439 8.660 1.00 54.11 H new ATOM 0 HG22 VAL A 69 18.029 -37.748 8.660 1.00 54.11 H new ATOM 0 HG23 VAL A 69 17.824 -38.751 10.115 1.00 54.11 H new ATOM 1037 N GLU A 70 15.944 -36.015 9.775 1.00 34.54 N ATOM 1038 CA GLU A 70 16.338 -34.620 9.620 1.00 33.13 C ATOM 1039 C GLU A 70 15.285 -33.841 8.836 1.00 23.52 C ATOM 1040 O GLU A 70 15.595 -32.852 8.174 1.00 71.23 O ATOM 1041 CB GLU A 70 17.691 -34.525 8.912 1.00 12.03 C ATOM 1042 CG GLU A 70 18.752 -35.439 9.502 1.00 51.10 C ATOM 1043 CD GLU A 70 20.084 -34.740 9.691 1.00 63.13 C ATOM 1044 OE1 GLU A 70 20.719 -34.950 10.746 1.00 43.05 O ATOM 1045 OE2 GLU A 70 20.492 -33.984 8.785 1.00 51.33 O ATOM 0 H GLU A 70 15.821 -36.313 10.743 1.00 34.54 H new ATOM 0 HA GLU A 70 16.425 -34.181 10.614 1.00 33.13 H new ATOM 0 HB2 GLU A 70 17.558 -34.769 7.858 1.00 12.03 H new ATOM 0 HB3 GLU A 70 18.044 -33.495 8.958 1.00 12.03 H new ATOM 0 HG2 GLU A 70 18.406 -35.819 10.463 1.00 51.10 H new ATOM 0 HG3 GLU A 70 18.888 -36.301 8.849 1.00 51.10 H new ATOM 1052 N GLY A 71 14.039 -34.297 8.917 1.00 54.23 N ATOM 1053 CA GLY A 71 12.959 -33.633 8.210 1.00 41.51 C ATOM 1054 C GLY A 71 12.764 -34.174 6.808 1.00 61.52 C ATOM 1055 O GLY A 71 11.665 -34.108 6.257 1.00 32.21 O ATOM 0 H GLY A 71 13.758 -35.114 9.459 1.00 54.23 H new ATOM 0 HA2 GLY A 71 12.033 -33.751 8.774 1.00 41.51 H new ATOM 0 HA3 GLY A 71 13.166 -32.564 8.158 1.00 41.51 H new ATOM 1059 N ILE A 72 13.833 -34.710 6.228 1.00 21.34 N ATOM 1060 CA ILE A 72 13.774 -35.265 4.882 1.00 40.13 C ATOM 1061 C ILE A 72 13.185 -36.671 4.892 1.00 74.23 C ATOM 1062 O ILE A 72 13.785 -37.604 5.426 1.00 23.34 O ATOM 1063 CB ILE A 72 15.169 -35.310 4.230 1.00 54.54 C ATOM 1064 CG1 ILE A 72 15.766 -33.903 4.156 1.00 42.15 C ATOM 1065 CG2 ILE A 72 15.085 -35.929 2.843 1.00 61.24 C ATOM 1066 CD1 ILE A 72 17.049 -33.749 4.942 1.00 63.43 C ATOM 0 H ILE A 72 14.750 -34.771 6.670 1.00 21.34 H new ATOM 0 HA ILE A 72 13.130 -34.608 4.298 1.00 40.13 H new ATOM 0 HB ILE A 72 15.822 -35.930 4.844 1.00 54.54 H new ATOM 0 HG12 ILE A 72 15.956 -33.652 3.112 1.00 42.15 H new ATOM 0 HG13 ILE A 72 15.034 -33.186 4.527 1.00 42.15 H new ATOM 0 HG21 ILE A 72 16.078 -35.954 2.395 1.00 61.24 H new ATOM 0 HG22 ILE A 72 14.696 -36.944 2.921 1.00 61.24 H new ATOM 0 HG23 ILE A 72 14.420 -35.333 2.218 1.00 61.24 H new ATOM 0 HD11 ILE A 72 17.415 -32.727 4.844 1.00 63.43 H new ATOM 0 HD12 ILE A 72 16.860 -33.968 5.993 1.00 63.43 H new ATOM 0 HD13 ILE A 72 17.797 -34.441 4.556 1.00 63.43 H new ATOM 1078 N LEU A 73 12.006 -36.817 4.296 1.00 63.01 N ATOM 1079 CA LEU A 73 11.335 -38.111 4.234 1.00 42.21 C ATOM 1080 C LEU A 73 12.033 -39.040 3.246 1.00 43.43 C ATOM 1081 O LEU A 73 12.046 -38.785 2.041 1.00 74.32 O ATOM 1082 CB LEU A 73 9.870 -37.929 3.833 1.00 43.12 C ATOM 1083 CG LEU A 73 8.937 -37.400 4.922 1.00 33.54 C ATOM 1084 CD1 LEU A 73 8.986 -38.298 6.149 1.00 3.22 C ATOM 1085 CD2 LEU A 73 9.302 -35.970 5.290 1.00 5.15 C ATOM 0 H LEU A 73 11.495 -36.055 3.849 1.00 63.01 H new ATOM 0 HA LEU A 73 11.381 -38.564 5.224 1.00 42.21 H new ATOM 0 HB2 LEU A 73 9.829 -37.247 2.984 1.00 43.12 H new ATOM 0 HB3 LEU A 73 9.486 -38.889 3.489 1.00 43.12 H new ATOM 0 HG LEU A 73 7.918 -37.404 4.534 1.00 33.54 H new ATOM 0 HD11 LEU A 73 8.316 -37.906 6.914 1.00 3.22 H new ATOM 0 HD12 LEU A 73 8.674 -39.306 5.875 1.00 3.22 H new ATOM 0 HD13 LEU A 73 10.004 -38.327 6.539 1.00 3.22 H new ATOM 0 HD21 LEU A 73 8.627 -35.611 6.067 1.00 5.15 H new ATOM 0 HD22 LEU A 73 10.328 -35.939 5.658 1.00 5.15 H new ATOM 0 HD23 LEU A 73 9.213 -35.334 4.409 1.00 5.15 H new ATOM 1097 N HIS A 74 12.612 -40.119 3.763 1.00 1.42 N ATOM 1098 CA HIS A 74 13.310 -41.088 2.926 1.00 41.33 C ATOM 1099 C HIS A 74 12.329 -42.083 2.314 1.00 61.13 C ATOM 1100 O HIS A 74 11.270 -42.353 2.880 1.00 63.55 O ATOM 1101 CB HIS A 74 14.367 -41.832 3.743 1.00 52.24 C ATOM 1102 CG HIS A 74 15.726 -41.822 3.114 1.00 2.01 C ATOM 1103 ND1 HIS A 74 15.990 -42.383 1.882 1.00 0.24 N ATOM 1104 CD2 HIS A 74 16.901 -41.313 3.554 1.00 61.25 C ATOM 1105 CE1 HIS A 74 17.269 -42.221 1.592 1.00 34.01 C ATOM 1106 NE2 HIS A 74 17.844 -41.574 2.590 1.00 72.32 N ATOM 0 H HIS A 74 12.612 -40.344 4.758 1.00 1.42 H new ATOM 0 HA HIS A 74 13.802 -40.546 2.118 1.00 41.33 H new ATOM 0 HB2 HIS A 74 14.431 -41.383 4.734 1.00 52.24 H new ATOM 0 HB3 HIS A 74 14.047 -42.865 3.881 1.00 52.24 H new ATOM 0 HD2 HIS A 74 17.066 -40.798 4.489 1.00 61.25 H new ATOM 0 HE1 HIS A 74 17.761 -42.560 0.692 1.00 34.01 H new ATOM 0 HE2 HIS A 74 18.828 -41.311 2.637 1.00 72.32 H new ATOM 1114 N ALA A 75 12.689 -42.624 1.154 1.00 33.23 N ATOM 1115 CA ALA A 75 11.841 -43.590 0.467 1.00 71.14 C ATOM 1116 C ALA A 75 12.310 -45.017 0.729 1.00 63.13 C ATOM 1117 O ALA A 75 13.480 -45.268 1.021 1.00 53.11 O ATOM 1118 CB ALA A 75 11.821 -43.305 -1.028 1.00 22.11 C ATOM 0 H ALA A 75 13.562 -42.410 0.671 1.00 33.23 H new ATOM 0 HA ALA A 75 10.829 -43.491 0.859 1.00 71.14 H new ATOM 0 HB1 ALA A 75 11.184 -44.034 -1.529 1.00 22.11 H new ATOM 0 HB2 ALA A 75 11.431 -42.302 -1.202 1.00 22.11 H new ATOM 0 HB3 ALA A 75 12.834 -43.375 -1.425 1.00 22.11 H new ATOM 1124 N PRO A 76 11.378 -45.976 0.623 1.00 25.23 N ATOM 1125 CA PRO A 76 11.674 -47.395 0.845 1.00 12.34 C ATOM 1126 C PRO A 76 12.546 -47.985 -0.257 1.00 44.22 C ATOM 1127 O PRO A 76 13.009 -47.269 -1.145 1.00 44.13 O ATOM 1128 CB PRO A 76 10.290 -48.050 0.841 1.00 45.01 C ATOM 1129 CG PRO A 76 9.441 -47.136 0.026 1.00 22.44 C ATOM 1130 CD PRO A 76 9.965 -45.750 0.279 1.00 51.45 C ATOM 0 HA PRO A 76 12.234 -47.555 1.766 1.00 12.34 H new ATOM 0 HB2 PRO A 76 10.326 -49.049 0.407 1.00 45.01 H new ATOM 0 HB3 PRO A 76 9.899 -48.156 1.853 1.00 45.01 H new ATOM 0 HG2 PRO A 76 9.500 -47.389 -1.033 1.00 22.44 H new ATOM 0 HG3 PRO A 76 8.393 -47.216 0.315 1.00 22.44 H new ATOM 0 HD2 PRO A 76 9.862 -45.115 -0.601 1.00 51.45 H new ATOM 0 HD3 PRO A 76 9.428 -45.259 1.090 1.00 51.45 H new ATOM 1138 N ASP A 77 12.766 -49.293 -0.194 1.00 63.35 N ATOM 1139 CA ASP A 77 13.582 -49.980 -1.189 1.00 44.00 C ATOM 1140 C ASP A 77 12.792 -50.216 -2.472 1.00 55.30 C ATOM 1141 O ASP A 77 13.324 -50.728 -3.456 1.00 3.10 O ATOM 1142 CB ASP A 77 14.087 -51.313 -0.634 1.00 13.11 C ATOM 1143 CG ASP A 77 15.597 -51.355 -0.512 1.00 3.10 C ATOM 1144 OD1 ASP A 77 16.099 -51.988 0.441 1.00 74.54 O ATOM 1145 OD2 ASP A 77 16.278 -50.755 -1.370 1.00 22.05 O ATOM 0 H ASP A 77 12.391 -49.899 0.535 1.00 63.35 H new ATOM 0 HA ASP A 77 14.437 -49.345 -1.422 1.00 44.00 H new ATOM 0 HB2 ASP A 77 13.641 -51.488 0.345 1.00 13.11 H new ATOM 0 HB3 ASP A 77 13.755 -52.123 -1.284 1.00 13.11 H new ATOM 1150 N ALA A 78 11.517 -49.839 -2.453 1.00 61.31 N ATOM 1151 CA ALA A 78 10.653 -50.009 -3.615 1.00 1.23 C ATOM 1152 C ALA A 78 10.307 -48.663 -4.243 1.00 11.05 C ATOM 1153 O ALA A 78 9.977 -48.585 -5.425 1.00 63.12 O ATOM 1154 CB ALA A 78 9.385 -50.753 -3.225 1.00 72.50 C ATOM 0 H ALA A 78 11.060 -49.414 -1.646 1.00 61.31 H new ATOM 0 HA ALA A 78 11.193 -50.598 -4.356 1.00 1.23 H new ATOM 0 HB1 ALA A 78 8.749 -50.873 -4.102 1.00 72.50 H new ATOM 0 HB2 ALA A 78 9.646 -51.734 -2.829 1.00 72.50 H new ATOM 0 HB3 ALA A 78 8.850 -50.186 -2.464 1.00 72.50 H new ATOM 1160 N GLY A 79 10.383 -47.604 -3.442 1.00 24.23 N ATOM 1161 CA GLY A 79 10.074 -46.276 -3.937 1.00 42.40 C ATOM 1162 C GLY A 79 8.813 -45.705 -3.319 1.00 60.41 C ATOM 1163 O GLY A 79 8.141 -46.375 -2.534 1.00 42.22 O ATOM 0 H GLY A 79 10.653 -47.643 -2.459 1.00 24.23 H new ATOM 0 HA2 GLY A 79 10.911 -45.610 -3.728 1.00 42.40 H new ATOM 0 HA3 GLY A 79 9.959 -46.313 -5.020 1.00 42.40 H new ATOM 1167 N TRP A 80 8.492 -44.466 -3.672 1.00 33.13 N ATOM 1168 CA TRP A 80 7.303 -43.805 -3.144 1.00 60.55 C ATOM 1169 C TRP A 80 6.036 -44.526 -3.592 1.00 41.24 C ATOM 1170 O TRP A 80 5.246 -44.983 -2.768 1.00 22.05 O ATOM 1171 CB TRP A 80 7.262 -42.345 -3.599 1.00 21.54 C ATOM 1172 CG TRP A 80 8.332 -41.500 -2.976 1.00 54.34 C ATOM 1173 CD1 TRP A 80 9.334 -40.837 -3.626 1.00 20.34 C ATOM 1174 CD2 TRP A 80 8.506 -41.228 -1.582 1.00 12.54 C ATOM 1175 NE1 TRP A 80 10.121 -40.170 -2.718 1.00 50.33 N ATOM 1176 CE2 TRP A 80 9.633 -40.392 -1.458 1.00 24.43 C ATOM 1177 CE3 TRP A 80 7.818 -41.606 -0.426 1.00 30.14 C ATOM 1178 CZ2 TRP A 80 10.087 -39.932 -0.224 1.00 72.53 C ATOM 1179 CZ3 TRP A 80 8.269 -41.149 0.798 1.00 65.11 C ATOM 1180 CH2 TRP A 80 9.394 -40.319 0.891 1.00 4.10 C ATOM 0 H TRP A 80 9.037 -43.899 -4.321 1.00 33.13 H new ATOM 0 HA TRP A 80 7.352 -43.838 -2.056 1.00 60.55 H new ATOM 0 HB2 TRP A 80 7.364 -42.307 -4.684 1.00 21.54 H new ATOM 0 HB3 TRP A 80 6.287 -41.923 -3.355 1.00 21.54 H new ATOM 0 HD1 TRP A 80 9.485 -40.837 -4.695 1.00 20.34 H new ATOM 0 HE1 TRP A 80 10.937 -39.602 -2.946 1.00 50.33 H new ATOM 0 HE3 TRP A 80 6.949 -42.244 -0.488 1.00 30.14 H new ATOM 0 HZ2 TRP A 80 10.955 -39.293 -0.150 1.00 72.53 H new ATOM 0 HZ3 TRP A 80 7.745 -41.437 1.698 1.00 65.11 H new ATOM 0 HH2 TRP A 80 9.721 -39.978 1.862 1.00 4.10 H new ATOM 1191 N GLY A 81 5.848 -44.623 -4.905 1.00 63.51 N ATOM 1192 CA GLY A 81 4.675 -45.290 -5.439 1.00 50.11 C ATOM 1193 C GLY A 81 3.479 -44.364 -5.541 1.00 33.51 C ATOM 1194 O GLY A 81 3.622 -43.145 -5.470 1.00 54.32 O ATOM 0 H GLY A 81 6.487 -44.252 -5.608 1.00 63.51 H new ATOM 0 HA2 GLY A 81 4.906 -45.690 -6.426 1.00 50.11 H new ATOM 0 HA3 GLY A 81 4.421 -46.138 -4.803 1.00 50.11 H new ATOM 1198 N ASN A 82 2.295 -44.946 -5.709 1.00 44.22 N ATOM 1199 CA ASN A 82 1.069 -44.164 -5.823 1.00 63.55 C ATOM 1200 C ASN A 82 0.017 -44.656 -4.834 1.00 72.25 C ATOM 1201 O ASN A 82 -1.181 -44.629 -5.121 1.00 21.11 O ATOM 1202 CB ASN A 82 0.521 -44.243 -7.250 1.00 1.32 C ATOM 1203 CG ASN A 82 1.537 -43.798 -8.285 1.00 34.43 C ATOM 1204 OD1 ASN A 82 1.452 -42.692 -8.819 1.00 32.51 O ATOM 1205 ND2 ASN A 82 2.504 -44.661 -8.573 1.00 30.44 N ATOM 0 H ASN A 82 2.159 -45.955 -5.769 1.00 44.22 H new ATOM 0 HA ASN A 82 1.305 -43.126 -5.588 1.00 63.55 H new ATOM 0 HB2 ASN A 82 0.215 -45.267 -7.462 1.00 1.32 H new ATOM 0 HB3 ASN A 82 -0.370 -43.621 -7.329 1.00 1.32 H new ATOM 0 HD21 ASN A 82 3.216 -44.418 -9.262 1.00 30.44 H new ATOM 0 HD22 ASN A 82 2.535 -45.567 -8.105 1.00 30.44 H new ATOM 1212 N LEU A 83 0.471 -45.105 -3.670 1.00 4.44 N ATOM 1213 CA LEU A 83 -0.431 -45.602 -2.637 1.00 24.14 C ATOM 1214 C LEU A 83 -0.859 -44.477 -1.700 1.00 24.24 C ATOM 1215 O LEU A 83 -0.516 -43.314 -1.912 1.00 3.03 O ATOM 1216 CB LEU A 83 0.244 -46.718 -1.837 1.00 61.21 C ATOM 1217 CG LEU A 83 1.695 -46.466 -1.425 1.00 70.25 C ATOM 1218 CD1 LEU A 83 2.640 -46.801 -2.569 1.00 21.32 C ATOM 1219 CD2 LEU A 83 1.881 -45.022 -0.983 1.00 72.12 C ATOM 0 H LEU A 83 1.459 -45.135 -3.417 1.00 4.44 H new ATOM 0 HA LEU A 83 -1.320 -46.000 -3.126 1.00 24.14 H new ATOM 0 HB2 LEU A 83 -0.342 -46.897 -0.936 1.00 61.21 H new ATOM 0 HB3 LEU A 83 0.209 -47.633 -2.428 1.00 61.21 H new ATOM 0 HG LEU A 83 1.932 -47.116 -0.583 1.00 70.25 H new ATOM 0 HD11 LEU A 83 3.668 -46.616 -2.258 1.00 21.32 H new ATOM 0 HD12 LEU A 83 2.526 -47.851 -2.839 1.00 21.32 H new ATOM 0 HD13 LEU A 83 2.404 -46.177 -3.431 1.00 21.32 H new ATOM 0 HD21 LEU A 83 2.919 -44.861 -0.693 1.00 72.12 H new ATOM 0 HD22 LEU A 83 1.626 -44.354 -1.806 1.00 72.12 H new ATOM 0 HD23 LEU A 83 1.231 -44.815 -0.133 1.00 72.12 H new ATOM 1231 N VAL A 84 -1.609 -44.832 -0.661 1.00 64.10 N ATOM 1232 CA VAL A 84 -2.081 -43.853 0.311 1.00 62.31 C ATOM 1233 C VAL A 84 -1.140 -43.769 1.508 1.00 71.13 C ATOM 1234 O VAL A 84 -0.360 -44.687 1.763 1.00 44.42 O ATOM 1235 CB VAL A 84 -3.498 -44.195 0.809 1.00 63.23 C ATOM 1236 CG1 VAL A 84 -4.118 -43.000 1.516 1.00 54.14 C ATOM 1237 CG2 VAL A 84 -4.372 -44.654 -0.348 1.00 52.14 C ATOM 0 H VAL A 84 -1.903 -45.790 -0.471 1.00 64.10 H new ATOM 0 HA VAL A 84 -2.105 -42.889 -0.197 1.00 62.31 H new ATOM 0 HB VAL A 84 -3.426 -45.013 1.526 1.00 63.23 H new ATOM 0 HG11 VAL A 84 -5.119 -43.260 1.861 1.00 54.14 H new ATOM 0 HG12 VAL A 84 -3.501 -42.722 2.370 1.00 54.14 H new ATOM 0 HG13 VAL A 84 -4.180 -42.160 0.824 1.00 54.14 H new ATOM 0 HG21 VAL A 84 -5.370 -44.892 0.022 1.00 52.14 H new ATOM 0 HG22 VAL A 84 -4.440 -43.859 -1.090 1.00 52.14 H new ATOM 0 HG23 VAL A 84 -3.934 -45.541 -0.805 1.00 52.14 H new ATOM 1247 N TYR A 85 -1.220 -42.663 2.239 1.00 62.20 N ATOM 1248 CA TYR A 85 -0.374 -42.458 3.409 1.00 40.33 C ATOM 1249 C TYR A 85 -1.187 -41.919 4.581 1.00 15.44 C ATOM 1250 O TYR A 85 -2.154 -41.179 4.394 1.00 4.12 O ATOM 1251 CB TYR A 85 0.765 -41.492 3.077 1.00 22.32 C ATOM 1252 CG TYR A 85 0.518 -40.078 3.552 1.00 72.14 C ATOM 1253 CD1 TYR A 85 0.776 -39.710 4.866 1.00 24.44 C ATOM 1254 CD2 TYR A 85 0.025 -39.110 2.686 1.00 74.03 C ATOM 1255 CE1 TYR A 85 0.551 -38.420 5.305 1.00 43.34 C ATOM 1256 CE2 TYR A 85 -0.202 -37.817 3.115 1.00 51.33 C ATOM 1257 CZ TYR A 85 0.063 -37.476 4.425 1.00 75.50 C ATOM 1258 OH TYR A 85 -0.163 -36.189 4.857 1.00 74.54 O ATOM 0 H TYR A 85 -1.862 -41.895 2.042 1.00 62.20 H new ATOM 0 HA TYR A 85 0.047 -43.422 3.695 1.00 40.33 H new ATOM 0 HB2 TYR A 85 1.686 -41.862 3.527 1.00 22.32 H new ATOM 0 HB3 TYR A 85 0.919 -41.482 1.998 1.00 22.32 H new ATOM 0 HD1 TYR A 85 1.160 -40.446 5.557 1.00 24.44 H new ATOM 0 HD2 TYR A 85 -0.184 -39.373 1.660 1.00 74.03 H new ATOM 0 HE1 TYR A 85 0.756 -38.152 6.331 1.00 43.34 H new ATOM 0 HE2 TYR A 85 -0.585 -37.077 2.428 1.00 51.33 H new ATOM 0 HH TYR A 85 -0.306 -35.605 4.083 1.00 74.54 H new ATOM 1268 N VAL A 86 -0.789 -42.295 5.792 1.00 4.44 N ATOM 1269 CA VAL A 86 -1.478 -41.849 6.997 1.00 11.42 C ATOM 1270 C VAL A 86 -0.637 -40.838 7.769 1.00 33.03 C ATOM 1271 O VAL A 86 0.564 -41.028 7.957 1.00 24.41 O ATOM 1272 CB VAL A 86 -1.815 -43.033 7.922 1.00 21.12 C ATOM 1273 CG1 VAL A 86 -2.496 -42.543 9.191 1.00 23.21 C ATOM 1274 CG2 VAL A 86 -2.688 -44.045 7.195 1.00 11.34 C ATOM 0 H VAL A 86 0.008 -42.908 5.965 1.00 4.44 H new ATOM 0 HA VAL A 86 -2.405 -41.375 6.674 1.00 11.42 H new ATOM 0 HB VAL A 86 -0.885 -43.526 8.205 1.00 21.12 H new ATOM 0 HG11 VAL A 86 -2.726 -43.394 9.832 1.00 23.21 H new ATOM 0 HG12 VAL A 86 -1.832 -41.860 9.720 1.00 23.21 H new ATOM 0 HG13 VAL A 86 -3.419 -42.024 8.932 1.00 23.21 H new ATOM 0 HG21 VAL A 86 -2.917 -44.875 7.863 1.00 11.34 H new ATOM 0 HG22 VAL A 86 -3.615 -43.566 6.881 1.00 11.34 H new ATOM 0 HG23 VAL A 86 -2.158 -44.420 6.319 1.00 11.34 H new ATOM 1284 N VAL A 87 -1.277 -39.762 8.216 1.00 55.02 N ATOM 1285 CA VAL A 87 -0.589 -38.721 8.970 1.00 52.14 C ATOM 1286 C VAL A 87 -0.417 -39.123 10.430 1.00 11.32 C ATOM 1287 O VAL A 87 -1.262 -39.814 10.998 1.00 44.01 O ATOM 1288 CB VAL A 87 -1.350 -37.383 8.903 1.00 72.42 C ATOM 1289 CG1 VAL A 87 -0.423 -36.224 9.233 1.00 65.01 C ATOM 1290 CG2 VAL A 87 -1.981 -37.198 7.531 1.00 35.12 C ATOM 0 H VAL A 87 -2.271 -39.589 8.069 1.00 55.02 H new ATOM 0 HA VAL A 87 0.392 -38.595 8.513 1.00 52.14 H new ATOM 0 HB VAL A 87 -2.148 -37.401 9.646 1.00 72.42 H new ATOM 0 HG11 VAL A 87 -0.978 -35.288 9.181 1.00 65.01 H new ATOM 0 HG12 VAL A 87 -0.023 -36.353 10.239 1.00 65.01 H new ATOM 0 HG13 VAL A 87 0.398 -36.199 8.517 1.00 65.01 H new ATOM 0 HG21 VAL A 87 -2.515 -36.248 7.501 1.00 35.12 H new ATOM 0 HG22 VAL A 87 -1.202 -37.201 6.769 1.00 35.12 H new ATOM 0 HG23 VAL A 87 -2.679 -38.013 7.339 1.00 35.12 H new ATOM 1300 N ASN A 88 0.683 -38.684 11.033 1.00 0.22 N ATOM 1301 CA ASN A 88 0.967 -38.998 12.429 1.00 54.21 C ATOM 1302 C ASN A 88 1.693 -37.842 13.110 1.00 54.41 C ATOM 1303 O ASN A 88 2.817 -37.499 12.744 1.00 63.40 O ATOM 1304 CB ASN A 88 1.809 -40.271 12.526 1.00 71.42 C ATOM 1305 CG ASN A 88 1.927 -40.779 13.950 1.00 62.42 C ATOM 1306 OD1 ASN A 88 0.935 -41.167 14.567 1.00 51.02 O ATOM 1307 ND2 ASN A 88 3.145 -40.779 14.479 1.00 64.25 N ATOM 0 H ASN A 88 1.392 -38.110 10.577 1.00 0.22 H new ATOM 0 HA ASN A 88 0.017 -39.159 12.939 1.00 54.21 H new ATOM 0 HB2 ASN A 88 1.364 -41.046 11.902 1.00 71.42 H new ATOM 0 HB3 ASN A 88 2.805 -40.076 12.129 1.00 71.42 H new ATOM 0 HD21 ASN A 88 3.286 -41.110 15.433 1.00 64.25 H new ATOM 0 HD22 ASN A 88 3.939 -40.448 13.931 1.00 64.25 H new ATOM 1314 N TYR A 89 1.042 -37.244 14.102 1.00 21.42 N ATOM 1315 CA TYR A 89 1.624 -36.125 14.834 1.00 64.54 C ATOM 1316 C TYR A 89 0.724 -35.703 15.990 1.00 15.30 C ATOM 1317 O TYR A 89 0.177 -34.600 16.014 1.00 53.12 O ATOM 1318 CB TYR A 89 1.857 -34.941 13.894 1.00 2.24 C ATOM 1319 CG TYR A 89 0.587 -34.392 13.285 1.00 34.14 C ATOM 1320 CD1 TYR A 89 -0.164 -35.151 12.396 1.00 54.21 C ATOM 1321 CD2 TYR A 89 0.138 -33.115 13.598 1.00 33.25 C ATOM 1322 CE1 TYR A 89 -1.326 -34.654 11.836 1.00 4.54 C ATOM 1323 CE2 TYR A 89 -1.023 -32.610 13.045 1.00 61.40 C ATOM 1324 CZ TYR A 89 -1.751 -33.383 12.164 1.00 21.14 C ATOM 1325 OH TYR A 89 -2.907 -32.883 11.610 1.00 62.32 O ATOM 0 H TYR A 89 0.111 -37.516 14.418 1.00 21.42 H new ATOM 0 HA TYR A 89 2.581 -36.449 15.243 1.00 64.54 H new ATOM 0 HB2 TYR A 89 2.360 -34.145 14.443 1.00 2.24 H new ATOM 0 HB3 TYR A 89 2.530 -35.250 13.094 1.00 2.24 H new ATOM 0 HD1 TYR A 89 0.166 -36.147 12.138 1.00 54.21 H new ATOM 0 HD2 TYR A 89 0.707 -32.506 14.286 1.00 33.25 H new ATOM 0 HE1 TYR A 89 -1.898 -35.257 11.146 1.00 4.54 H new ATOM 0 HE2 TYR A 89 -1.359 -31.616 13.301 1.00 61.40 H new ATOM 0 HH TYR A 89 -3.065 -31.976 11.946 1.00 62.32 H new ATOM 1335 N PRO A 90 0.565 -36.600 16.974 1.00 61.51 N ATOM 1336 CA PRO A 90 -0.267 -36.344 18.153 1.00 73.11 C ATOM 1337 C PRO A 90 0.342 -35.294 19.076 1.00 63.51 C ATOM 1338 O PRO A 90 -0.368 -34.467 19.647 1.00 32.13 O ATOM 1339 CB PRO A 90 -0.321 -37.705 18.852 1.00 4.21 C ATOM 1340 CG PRO A 90 0.920 -38.404 18.415 1.00 73.44 C ATOM 1341 CD PRO A 90 1.187 -37.935 17.011 1.00 11.23 C ATOM 0 HA PRO A 90 -1.247 -35.950 17.882 1.00 73.11 H new ATOM 0 HB2 PRO A 90 -0.351 -37.593 19.936 1.00 4.21 H new ATOM 0 HB3 PRO A 90 -1.212 -38.263 18.564 1.00 4.21 H new ATOM 0 HG2 PRO A 90 1.756 -38.163 19.072 1.00 73.44 H new ATOM 0 HG3 PRO A 90 0.790 -39.486 18.447 1.00 73.44 H new ATOM 0 HD2 PRO A 90 2.255 -37.887 16.800 1.00 11.23 H new ATOM 0 HD3 PRO A 90 0.746 -38.605 16.273 1.00 11.23 H new ATOM 1349 N LYS A 91 1.663 -35.333 19.217 1.00 31.13 N ATOM 1350 CA LYS A 91 2.370 -34.384 20.070 1.00 74.34 C ATOM 1351 C LYS A 91 3.083 -33.328 19.232 1.00 0.43 C ATOM 1352 O LYS A 91 4.303 -33.370 19.070 1.00 73.33 O ATOM 1353 CB LYS A 91 3.380 -35.117 20.955 1.00 65.04 C ATOM 1354 CG LYS A 91 3.862 -34.294 22.137 1.00 64.30 C ATOM 1355 CD LYS A 91 5.263 -34.700 22.564 1.00 1.44 C ATOM 1356 CE LYS A 91 6.241 -33.541 22.442 1.00 55.24 C ATOM 1357 NZ LYS A 91 6.937 -33.539 21.125 1.00 34.51 N ATOM 0 H LYS A 91 2.266 -36.012 18.752 1.00 31.13 H new ATOM 0 HA LYS A 91 1.637 -33.885 20.704 1.00 74.34 H new ATOM 0 HB2 LYS A 91 2.927 -36.037 21.324 1.00 65.04 H new ATOM 0 HB3 LYS A 91 4.239 -35.406 20.349 1.00 65.04 H new ATOM 0 HG2 LYS A 91 3.853 -33.236 21.873 1.00 64.30 H new ATOM 0 HG3 LYS A 91 3.175 -34.420 22.974 1.00 64.30 H new ATOM 0 HD2 LYS A 91 5.242 -35.053 23.595 1.00 1.44 H new ATOM 0 HD3 LYS A 91 5.605 -35.532 21.949 1.00 1.44 H new ATOM 0 HE2 LYS A 91 5.707 -32.600 22.572 1.00 55.24 H new ATOM 0 HE3 LYS A 91 6.978 -33.602 23.242 1.00 55.24 H new ATOM 0 HZ1 LYS A 91 7.582 -32.725 21.074 1.00 34.51 H new ATOM 0 HZ2 LYS A 91 7.481 -34.419 21.019 1.00 34.51 H new ATOM 0 HZ3 LYS A 91 6.234 -33.472 20.361 1.00 34.51 H new ATOM 1371 N ASP A 92 2.316 -32.380 18.705 1.00 73.21 N ATOM 1372 CA ASP A 92 2.875 -31.311 17.886 1.00 1.45 C ATOM 1373 C ASP A 92 2.002 -30.061 17.954 1.00 24.25 C ATOM 1374 O ASP A 92 0.804 -30.114 17.682 1.00 40.12 O ATOM 1375 CB ASP A 92 3.016 -31.771 16.435 1.00 43.13 C ATOM 1376 CG ASP A 92 3.251 -30.616 15.481 1.00 13.33 C ATOM 1377 OD1 ASP A 92 4.162 -29.803 15.746 1.00 70.44 O ATOM 1378 OD2 ASP A 92 2.523 -30.524 14.471 1.00 64.45 O ATOM 0 H ASP A 92 1.305 -32.330 18.830 1.00 73.21 H new ATOM 0 HA ASP A 92 3.862 -31.065 18.278 1.00 1.45 H new ATOM 0 HB2 ASP A 92 3.844 -32.475 16.359 1.00 43.13 H new ATOM 0 HB3 ASP A 92 2.114 -32.306 16.137 1.00 43.13 H new ATOM 1383 N ASN A 93 2.612 -28.939 18.321 1.00 4.21 N ATOM 1384 CA ASN A 93 1.891 -27.676 18.427 1.00 55.03 C ATOM 1385 C ASN A 93 2.834 -26.492 18.235 1.00 71.44 C ATOM 1386 O ASN A 93 4.001 -26.545 18.623 1.00 0.31 O ATOM 1387 CB ASN A 93 1.196 -27.574 19.786 1.00 2.33 C ATOM 1388 CG ASN A 93 0.628 -26.191 20.043 1.00 71.23 C ATOM 1389 OD1 ASN A 93 1.028 -25.509 20.986 1.00 50.42 O ATOM 1390 ND2 ASN A 93 -0.311 -25.772 19.202 1.00 64.22 N ATOM 0 H ASN A 93 3.604 -28.879 18.550 1.00 4.21 H new ATOM 0 HA ASN A 93 1.139 -27.649 17.639 1.00 55.03 H new ATOM 0 HB2 ASN A 93 0.392 -28.309 19.836 1.00 2.33 H new ATOM 0 HB3 ASN A 93 1.906 -27.824 20.574 1.00 2.33 H new ATOM 0 HD21 ASN A 93 -0.731 -24.851 19.325 1.00 64.22 H new ATOM 0 HD22 ASN A 93 -0.612 -26.372 18.434 1.00 64.22 H new ATOM 1397 N LYS A 94 2.320 -25.425 17.633 1.00 10.11 N ATOM 1398 CA LYS A 94 3.114 -24.226 17.390 1.00 22.53 C ATOM 1399 C LYS A 94 4.183 -24.487 16.333 1.00 12.24 C ATOM 1400 O LYS A 94 4.053 -24.057 15.187 1.00 1.41 O ATOM 1401 CB LYS A 94 3.771 -23.753 18.689 1.00 71.10 C ATOM 1402 CG LYS A 94 3.278 -22.396 19.160 1.00 0.12 C ATOM 1403 CD LYS A 94 4.406 -21.379 19.210 1.00 23.41 C ATOM 1404 CE LYS A 94 4.185 -20.355 20.312 1.00 1.31 C ATOM 1405 NZ LYS A 94 4.665 -20.848 21.633 1.00 45.34 N ATOM 0 H LYS A 94 1.356 -25.366 17.304 1.00 10.11 H new ATOM 0 HA LYS A 94 2.447 -23.446 17.022 1.00 22.53 H new ATOM 0 HB2 LYS A 94 3.584 -24.490 19.470 1.00 71.10 H new ATOM 0 HB3 LYS A 94 4.851 -23.708 18.545 1.00 71.10 H new ATOM 0 HG2 LYS A 94 2.495 -22.040 18.490 1.00 0.12 H new ATOM 0 HG3 LYS A 94 2.831 -22.494 20.149 1.00 0.12 H new ATOM 0 HD2 LYS A 94 5.353 -21.893 19.374 1.00 23.41 H new ATOM 0 HD3 LYS A 94 4.481 -20.870 18.249 1.00 23.41 H new ATOM 0 HE2 LYS A 94 4.705 -19.431 20.059 1.00 1.31 H new ATOM 0 HE3 LYS A 94 3.124 -20.116 20.378 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 4.496 -20.121 22.357 1.00 45.34 H new ATOM 0 HZ2 LYS A 94 4.151 -21.716 21.887 1.00 45.34 H new ATOM 0 HZ3 LYS A 94 5.683 -21.052 21.578 1.00 45.34 H new ATOM 1419 N ARG A 95 5.237 -25.194 16.726 1.00 21.21 N ATOM 1420 CA ARG A 95 6.327 -25.512 15.812 1.00 45.20 C ATOM 1421 C ARG A 95 7.119 -24.258 15.454 1.00 44.42 C ATOM 1422 O ARG A 95 8.229 -24.049 15.946 1.00 55.43 O ATOM 1423 CB ARG A 95 5.782 -26.164 14.540 1.00 12.13 C ATOM 1424 CG ARG A 95 6.233 -27.603 14.352 1.00 70.01 C ATOM 1425 CD ARG A 95 6.966 -27.789 13.033 1.00 41.24 C ATOM 1426 NE ARG A 95 7.025 -29.192 12.632 1.00 21.01 N ATOM 1427 CZ ARG A 95 7.439 -29.598 11.437 1.00 21.41 C ATOM 1428 NH1 ARG A 95 7.829 -28.713 10.530 1.00 32.15 N ATOM 1429 NH2 ARG A 95 7.464 -30.893 11.147 1.00 22.13 N ATOM 0 H ARG A 95 5.359 -25.557 17.671 1.00 21.21 H new ATOM 0 HA ARG A 95 6.995 -26.213 16.313 1.00 45.20 H new ATOM 0 HB2 ARG A 95 4.693 -26.134 14.564 1.00 12.13 H new ATOM 0 HB3 ARG A 95 6.098 -25.577 13.677 1.00 12.13 H new ATOM 0 HG2 ARG A 95 6.886 -27.892 15.176 1.00 70.01 H new ATOM 0 HG3 ARG A 95 5.367 -28.264 14.385 1.00 70.01 H new ATOM 0 HD2 ARG A 95 6.466 -27.211 12.256 1.00 41.24 H new ATOM 0 HD3 ARG A 95 7.978 -27.395 13.122 1.00 41.24 H new ATOM 0 HE ARG A 95 6.732 -29.899 13.307 1.00 21.01 H new ATOM 0 HH11 ARG A 95 7.812 -27.717 10.749 1.00 32.15 H new ATOM 0 HH12 ARG A 95 8.146 -29.028 9.613 1.00 32.15 H new ATOM 0 HH21 ARG A 95 7.165 -31.577 11.842 1.00 22.13 H new ATOM 0 HH22 ARG A 95 7.782 -31.204 10.229 1.00 22.13 H new ATOM 1443 N LYS A 96 6.543 -23.426 14.593 1.00 15.32 N ATOM 1444 CA LYS A 96 7.192 -22.191 14.169 1.00 65.54 C ATOM 1445 C LYS A 96 8.579 -22.475 13.600 1.00 4.43 C ATOM 1446 O LYS A 96 9.570 -22.483 14.331 1.00 74.41 O ATOM 1447 CB LYS A 96 7.300 -21.217 15.344 1.00 64.31 C ATOM 1448 CG LYS A 96 5.956 -20.803 15.916 1.00 52.11 C ATOM 1449 CD LYS A 96 5.357 -19.638 15.146 1.00 42.22 C ATOM 1450 CE LYS A 96 5.982 -18.315 15.562 1.00 41.13 C ATOM 1451 NZ LYS A 96 5.813 -17.269 14.516 1.00 41.53 N ATOM 0 H LYS A 96 5.626 -23.585 14.175 1.00 15.32 H new ATOM 0 HA LYS A 96 6.582 -21.739 13.387 1.00 65.54 H new ATOM 0 HB2 LYS A 96 7.895 -21.677 16.133 1.00 64.31 H new ATOM 0 HB3 LYS A 96 7.837 -20.326 15.018 1.00 64.31 H new ATOM 0 HG2 LYS A 96 5.271 -21.650 15.887 1.00 52.11 H new ATOM 0 HG3 LYS A 96 6.075 -20.525 16.963 1.00 52.11 H new ATOM 0 HD2 LYS A 96 5.506 -19.792 14.077 1.00 42.22 H new ATOM 0 HD3 LYS A 96 4.281 -19.603 15.316 1.00 42.22 H new ATOM 0 HE2 LYS A 96 5.527 -17.975 16.492 1.00 41.13 H new ATOM 0 HE3 LYS A 96 7.044 -18.461 15.761 1.00 41.13 H new ATOM 0 HZ1 LYS A 96 6.252 -16.383 14.837 1.00 41.53 H new ATOM 0 HZ2 LYS A 96 6.269 -17.582 13.635 1.00 41.53 H new ATOM 0 HZ3 LYS A 96 4.800 -17.111 14.344 1.00 41.53 H new ATOM 1465 N MET A 97 8.643 -22.704 12.293 1.00 75.03 N ATOM 1466 CA MET A 97 9.909 -22.985 11.627 1.00 43.52 C ATOM 1467 C MET A 97 10.366 -21.787 10.800 1.00 12.31 C ATOM 1468 O MET A 97 11.427 -21.215 11.051 1.00 30.35 O ATOM 1469 CB MET A 97 9.777 -24.217 10.730 1.00 34.02 C ATOM 1470 CG MET A 97 11.101 -24.907 10.445 1.00 10.42 C ATOM 1471 SD MET A 97 11.322 -26.412 11.412 1.00 24.24 S ATOM 1472 CE MET A 97 13.082 -26.347 11.743 1.00 15.50 C ATOM 0 H MET A 97 7.833 -22.700 11.674 1.00 75.03 H new ATOM 0 HA MET A 97 10.658 -23.182 12.394 1.00 43.52 H new ATOM 0 HB2 MET A 97 9.100 -24.929 11.202 1.00 34.02 H new ATOM 0 HB3 MET A 97 9.320 -23.921 9.786 1.00 34.02 H new ATOM 0 HG2 MET A 97 11.159 -25.150 9.384 1.00 10.42 H new ATOM 0 HG3 MET A 97 11.919 -24.219 10.659 1.00 10.42 H new ATOM 0 HE1 MET A 97 13.373 -27.215 12.335 1.00 15.50 H new ATOM 0 HE2 MET A 97 13.630 -26.350 10.801 1.00 15.50 H new ATOM 0 HE3 MET A 97 13.315 -25.436 12.295 1.00 15.50 H new ATOM 1482 N ASP A 98 9.559 -21.412 9.814 1.00 74.12 N ATOM 1483 CA ASP A 98 9.880 -20.281 8.951 1.00 73.54 C ATOM 1484 C ASP A 98 11.180 -20.529 8.192 1.00 74.24 C ATOM 1485 O ASP A 98 11.829 -21.558 8.375 1.00 62.14 O ATOM 1486 CB ASP A 98 9.993 -18.999 9.776 1.00 53.55 C ATOM 1487 CG ASP A 98 8.939 -17.975 9.401 1.00 10.23 C ATOM 1488 OD1 ASP A 98 8.423 -17.294 10.312 1.00 35.25 O ATOM 1489 OD2 ASP A 98 8.631 -17.854 8.197 1.00 3.43 O ATOM 0 H ASP A 98 8.677 -21.875 9.592 1.00 74.12 H new ATOM 0 HA ASP A 98 9.073 -20.167 8.227 1.00 73.54 H new ATOM 0 HB2 ASP A 98 9.899 -19.242 10.834 1.00 53.55 H new ATOM 0 HB3 ASP A 98 10.983 -18.566 9.635 1.00 53.55 H new ATOM 1494 N GLU A 99 11.551 -19.579 7.339 1.00 25.40 N ATOM 1495 CA GLU A 99 12.773 -19.697 6.551 1.00 11.42 C ATOM 1496 C GLU A 99 13.384 -18.323 6.287 1.00 31.43 C ATOM 1497 O GLU A 99 13.764 -18.006 5.160 1.00 53.24 O ATOM 1498 CB GLU A 99 12.485 -20.402 5.224 1.00 33.35 C ATOM 1499 CG GLU A 99 13.615 -21.303 4.756 1.00 31.53 C ATOM 1500 CD GLU A 99 13.190 -22.753 4.629 1.00 62.54 C ATOM 1501 OE1 GLU A 99 13.543 -23.387 3.612 1.00 40.03 O ATOM 1502 OE2 GLU A 99 12.505 -23.255 5.544 1.00 2.44 O ATOM 0 H GLU A 99 11.024 -18.721 7.176 1.00 25.40 H new ATOM 0 HA GLU A 99 13.487 -20.291 7.122 1.00 11.42 H new ATOM 0 HB2 GLU A 99 11.577 -20.996 5.327 1.00 33.35 H new ATOM 0 HB3 GLU A 99 12.289 -19.651 4.458 1.00 33.35 H new ATOM 0 HG2 GLU A 99 13.981 -20.950 3.792 1.00 31.53 H new ATOM 0 HG3 GLU A 99 14.446 -21.232 5.458 1.00 31.53 H new ATOM 1509 N THR A 100 13.475 -17.511 7.336 1.00 63.31 N ATOM 1510 CA THR A 100 14.038 -16.172 7.219 1.00 51.03 C ATOM 1511 C THR A 100 13.261 -15.336 6.208 1.00 42.01 C ATOM 1512 O THR A 100 13.634 -15.256 5.037 1.00 1.44 O ATOM 1513 CB THR A 100 15.519 -16.220 6.798 1.00 0.43 C ATOM 1514 OG1 THR A 100 16.192 -17.276 7.493 1.00 53.12 O ATOM 1515 CG2 THR A 100 16.207 -14.895 7.090 1.00 3.25 C ATOM 0 H THR A 100 13.166 -17.758 8.276 1.00 63.31 H new ATOM 0 HA THR A 100 13.963 -15.710 8.203 1.00 51.03 H new ATOM 0 HB THR A 100 15.563 -16.406 5.725 1.00 0.43 H new ATOM 0 HG1 THR A 100 17.132 -17.301 7.219 1.00 53.12 H new ATOM 0 HG21 THR A 100 17.252 -14.952 6.785 1.00 3.25 H new ATOM 0 HG22 THR A 100 15.711 -14.098 6.537 1.00 3.25 H new ATOM 0 HG23 THR A 100 16.152 -14.684 8.158 1.00 3.25 H new ATOM 1523 N ASP A 101 12.181 -14.715 6.667 1.00 14.32 N ATOM 1524 CA ASP A 101 11.352 -13.882 5.803 1.00 72.42 C ATOM 1525 C ASP A 101 11.857 -12.443 5.787 1.00 23.21 C ATOM 1526 O ASP A 101 12.248 -11.901 6.820 1.00 11.24 O ATOM 1527 CB ASP A 101 9.895 -13.919 6.268 1.00 61.45 C ATOM 1528 CG ASP A 101 8.917 -13.782 5.117 1.00 31.05 C ATOM 1529 OD1 ASP A 101 9.066 -14.519 4.120 1.00 35.33 O ATOM 1530 OD2 ASP A 101 8.002 -12.938 5.215 1.00 1.20 O ATOM 0 H ASP A 101 11.858 -14.772 7.633 1.00 14.32 H new ATOM 0 HA ASP A 101 11.413 -14.280 4.790 1.00 72.42 H new ATOM 0 HB2 ASP A 101 9.707 -14.857 6.791 1.00 61.45 H new ATOM 0 HB3 ASP A 101 9.724 -13.115 6.984 1.00 61.45 H new ATOM 1535 N ALA A 102 11.848 -11.831 4.608 1.00 53.24 N ATOM 1536 CA ALA A 102 12.304 -10.455 4.458 1.00 41.34 C ATOM 1537 C ALA A 102 11.203 -9.571 3.882 1.00 11.30 C ATOM 1538 O ALA A 102 11.462 -8.706 3.045 1.00 12.45 O ATOM 1539 CB ALA A 102 13.541 -10.402 3.574 1.00 65.43 C ATOM 0 H ALA A 102 11.530 -12.267 3.742 1.00 53.24 H new ATOM 0 HA ALA A 102 12.560 -10.074 5.447 1.00 41.34 H new ATOM 0 HB1 ALA A 102 13.870 -9.368 3.471 1.00 65.43 H new ATOM 0 HB2 ALA A 102 14.337 -10.993 4.027 1.00 65.43 H new ATOM 0 HB3 ALA A 102 13.303 -10.807 2.590 1.00 65.43 H new ATOM 1545 N SER A 103 9.973 -9.794 4.335 1.00 24.40 N ATOM 1546 CA SER A 103 8.832 -9.021 3.861 1.00 13.13 C ATOM 1547 C SER A 103 7.699 -9.044 4.883 1.00 53.52 C ATOM 1548 O SER A 103 7.857 -9.556 5.991 1.00 61.24 O ATOM 1549 CB SER A 103 8.337 -9.570 2.522 1.00 60.12 C ATOM 1550 OG SER A 103 9.259 -10.499 1.980 1.00 63.52 O ATOM 0 H SER A 103 9.742 -10.504 5.030 1.00 24.40 H new ATOM 0 HA SER A 103 9.155 -7.989 3.725 1.00 13.13 H new ATOM 0 HB2 SER A 103 7.369 -10.051 2.658 1.00 60.12 H new ATOM 0 HB3 SER A 103 8.189 -8.749 1.821 1.00 60.12 H new ATOM 0 HG SER A 103 8.919 -10.837 1.125 1.00 63.52 H new ATOM 1556 N SER A 104 6.555 -8.484 4.501 1.00 1.33 N ATOM 1557 CA SER A 104 5.396 -8.435 5.384 1.00 33.43 C ATOM 1558 C SER A 104 4.876 -9.840 5.676 1.00 4.03 C ATOM 1559 O SER A 104 4.388 -10.531 4.783 1.00 72.11 O ATOM 1560 CB SER A 104 4.286 -7.589 4.758 1.00 72.12 C ATOM 1561 OG SER A 104 4.642 -6.218 4.734 1.00 42.24 O ATOM 0 H SER A 104 6.407 -8.058 3.586 1.00 1.33 H new ATOM 0 HA SER A 104 5.706 -7.977 6.324 1.00 33.43 H new ATOM 0 HB2 SER A 104 4.089 -7.935 3.743 1.00 72.12 H new ATOM 0 HB3 SER A 104 3.363 -7.718 5.323 1.00 72.12 H new ATOM 0 HG SER A 104 3.917 -5.699 4.328 1.00 42.24 H new ATOM 1567 N ALA A 105 4.986 -10.255 6.934 1.00 22.00 N ATOM 1568 CA ALA A 105 4.527 -11.576 7.346 1.00 55.44 C ATOM 1569 C ALA A 105 4.292 -11.631 8.851 1.00 5.24 C ATOM 1570 O ALA A 105 5.190 -11.984 9.617 1.00 74.32 O ATOM 1571 CB ALA A 105 5.531 -12.639 6.926 1.00 3.54 C ATOM 0 H ALA A 105 5.389 -9.695 7.685 1.00 22.00 H new ATOM 0 HA ALA A 105 3.577 -11.774 6.850 1.00 55.44 H new ATOM 0 HB1 ALA A 105 5.175 -13.620 7.240 1.00 3.54 H new ATOM 0 HB2 ALA A 105 5.644 -12.624 5.842 1.00 3.54 H new ATOM 0 HB3 ALA A 105 6.494 -12.435 7.394 1.00 3.54 H new ATOM 1577 N VAL A 106 3.081 -11.278 9.271 1.00 63.33 N ATOM 1578 CA VAL A 106 2.729 -11.288 10.686 1.00 62.25 C ATOM 1579 C VAL A 106 1.244 -11.006 10.884 1.00 22.43 C ATOM 1580 O VAL A 106 0.682 -10.109 10.257 1.00 55.22 O ATOM 1581 CB VAL A 106 3.548 -10.249 11.475 1.00 72.31 C ATOM 1582 CG1 VAL A 106 3.365 -8.861 10.880 1.00 65.45 C ATOM 1583 CG2 VAL A 106 3.152 -10.264 12.944 1.00 64.53 C ATOM 0 H VAL A 106 2.327 -10.981 8.651 1.00 63.33 H new ATOM 0 HA VAL A 106 2.960 -12.284 11.063 1.00 62.25 H new ATOM 0 HB VAL A 106 4.603 -10.513 11.403 1.00 72.31 H new ATOM 0 HG11 VAL A 106 3.951 -8.140 11.450 1.00 65.45 H new ATOM 0 HG12 VAL A 106 3.701 -8.862 9.843 1.00 65.45 H new ATOM 0 HG13 VAL A 106 2.311 -8.584 10.919 1.00 65.45 H new ATOM 0 HG21 VAL A 106 3.740 -9.524 13.487 1.00 64.53 H new ATOM 0 HG22 VAL A 106 2.093 -10.025 13.038 1.00 64.53 H new ATOM 0 HG23 VAL A 106 3.339 -11.253 13.361 1.00 64.53 H new ATOM 1593 N LYS A 107 0.613 -11.779 11.762 1.00 4.22 N ATOM 1594 CA LYS A 107 -0.807 -11.613 12.047 1.00 41.43 C ATOM 1595 C LYS A 107 -1.016 -10.765 13.298 1.00 63.04 C ATOM 1596 O LYS A 107 -1.266 -11.292 14.382 1.00 44.31 O ATOM 1597 CB LYS A 107 -1.476 -12.978 12.225 1.00 4.51 C ATOM 1598 CG LYS A 107 -1.090 -13.988 11.159 1.00 42.14 C ATOM 1599 CD LYS A 107 -0.201 -15.083 11.724 1.00 71.23 C ATOM 1600 CE LYS A 107 0.389 -15.947 10.620 1.00 60.13 C ATOM 1601 NZ LYS A 107 1.872 -16.038 10.720 1.00 60.35 N ATOM 0 H LYS A 107 1.064 -12.527 12.289 1.00 4.22 H new ATOM 0 HA LYS A 107 -1.264 -11.099 11.201 1.00 41.43 H new ATOM 0 HB2 LYS A 107 -1.213 -13.377 13.204 1.00 4.51 H new ATOM 0 HB3 LYS A 107 -2.558 -12.847 12.215 1.00 4.51 H new ATOM 0 HG2 LYS A 107 -1.990 -14.432 10.734 1.00 42.14 H new ATOM 0 HG3 LYS A 107 -0.571 -13.480 10.346 1.00 42.14 H new ATOM 0 HD2 LYS A 107 0.604 -14.635 12.306 1.00 71.23 H new ATOM 0 HD3 LYS A 107 -0.779 -15.707 12.406 1.00 71.23 H new ATOM 0 HE2 LYS A 107 -0.041 -16.947 10.673 1.00 60.13 H new ATOM 0 HE3 LYS A 107 0.115 -15.533 9.649 1.00 60.13 H new ATOM 0 HZ1 LYS A 107 2.236 -16.635 9.950 1.00 60.35 H new ATOM 0 HZ2 LYS A 107 2.284 -15.086 10.644 1.00 60.35 H new ATOM 0 HZ3 LYS A 107 2.133 -16.456 11.636 1.00 60.35 H new ATOM 1615 N VAL A 108 -0.913 -9.449 13.139 1.00 20.25 N ATOM 1616 CA VAL A 108 -1.093 -8.529 14.256 1.00 52.43 C ATOM 1617 C VAL A 108 -2.029 -7.386 13.880 1.00 54.33 C ATOM 1618 O VAL A 108 -1.941 -6.830 12.784 1.00 32.53 O ATOM 1619 CB VAL A 108 0.252 -7.943 14.723 1.00 45.10 C ATOM 1620 CG1 VAL A 108 0.870 -7.084 13.630 1.00 55.12 C ATOM 1621 CG2 VAL A 108 0.068 -7.141 16.002 1.00 4.14 C ATOM 0 H VAL A 108 -0.706 -8.997 12.249 1.00 20.25 H new ATOM 0 HA VAL A 108 -1.533 -9.103 15.071 1.00 52.43 H new ATOM 0 HB VAL A 108 0.934 -8.767 14.932 1.00 45.10 H new ATOM 0 HG11 VAL A 108 1.820 -6.679 13.979 1.00 55.12 H new ATOM 0 HG12 VAL A 108 1.040 -7.692 12.741 1.00 55.12 H new ATOM 0 HG13 VAL A 108 0.194 -6.265 13.385 1.00 55.12 H new ATOM 0 HG21 VAL A 108 1.029 -6.734 16.318 1.00 4.14 H new ATOM 0 HG22 VAL A 108 -0.631 -6.324 15.822 1.00 4.14 H new ATOM 0 HG23 VAL A 108 -0.326 -7.789 16.784 1.00 4.14 H new ATOM 1631 N LYS A 109 -2.927 -7.038 14.796 1.00 43.43 N ATOM 1632 CA LYS A 109 -3.880 -5.959 14.563 1.00 42.02 C ATOM 1633 C LYS A 109 -4.136 -5.173 15.845 1.00 71.12 C ATOM 1634 O LYS A 109 -4.786 -5.666 16.767 1.00 73.24 O ATOM 1635 CB LYS A 109 -5.197 -6.522 14.025 1.00 33.02 C ATOM 1636 CG LYS A 109 -5.395 -6.291 12.537 1.00 14.31 C ATOM 1637 CD LYS A 109 -6.194 -7.415 11.900 1.00 54.05 C ATOM 1638 CE LYS A 109 -5.968 -7.477 10.397 1.00 50.13 C ATOM 1639 NZ LYS A 109 -6.452 -8.760 9.815 1.00 1.43 N ATOM 0 H LYS A 109 -3.015 -7.488 15.707 1.00 43.43 H new ATOM 0 HA LYS A 109 -3.452 -5.283 13.823 1.00 42.02 H new ATOM 0 HB2 LYS A 109 -5.234 -7.593 14.226 1.00 33.02 H new ATOM 0 HB3 LYS A 109 -6.026 -6.067 14.568 1.00 33.02 H new ATOM 0 HG2 LYS A 109 -5.910 -5.343 12.380 1.00 14.31 H new ATOM 0 HG3 LYS A 109 -4.424 -6.211 12.048 1.00 14.31 H new ATOM 0 HD2 LYS A 109 -5.910 -8.366 12.351 1.00 54.05 H new ATOM 0 HD3 LYS A 109 -7.255 -7.270 12.104 1.00 54.05 H new ATOM 0 HE2 LYS A 109 -6.483 -6.644 9.918 1.00 50.13 H new ATOM 0 HE3 LYS A 109 -4.905 -7.360 10.185 1.00 50.13 H new ATOM 0 HZ1 LYS A 109 -6.280 -8.763 8.789 1.00 1.43 H new ATOM 0 HZ2 LYS A 109 -5.943 -9.554 10.254 1.00 1.43 H new ATOM 0 HZ3 LYS A 109 -7.471 -8.860 9.995 1.00 1.43 H new ATOM 1653 N ARG A 110 -3.622 -3.949 15.896 1.00 53.55 N ATOM 1654 CA ARG A 110 -3.796 -3.095 17.065 1.00 52.15 C ATOM 1655 C ARG A 110 -3.180 -1.719 16.830 1.00 43.04 C ATOM 1656 O ARG A 110 -2.623 -1.451 15.765 1.00 15.31 O ATOM 1657 CB ARG A 110 -3.164 -3.745 18.296 1.00 23.42 C ATOM 1658 CG ARG A 110 -1.727 -4.191 18.079 1.00 21.23 C ATOM 1659 CD ARG A 110 -1.015 -4.440 19.400 1.00 13.30 C ATOM 1660 NE ARG A 110 0.407 -4.711 19.213 1.00 45.43 N ATOM 1661 CZ ARG A 110 1.282 -4.771 20.211 1.00 33.50 C ATOM 1662 NH1 ARG A 110 0.880 -4.582 21.460 1.00 24.04 N ATOM 1663 NH2 ARG A 110 2.560 -5.023 19.961 1.00 42.25 N ATOM 0 H ARG A 110 -3.082 -3.526 15.141 1.00 53.55 H new ATOM 0 HA ARG A 110 -4.865 -2.971 17.237 1.00 52.15 H new ATOM 0 HB2 ARG A 110 -3.195 -3.039 19.126 1.00 23.42 H new ATOM 0 HB3 ARG A 110 -3.763 -4.607 18.589 1.00 23.42 H new ATOM 0 HG2 ARG A 110 -1.714 -5.102 17.480 1.00 21.23 H new ATOM 0 HG3 ARG A 110 -1.190 -3.430 17.513 1.00 21.23 H new ATOM 0 HD2 ARG A 110 -1.136 -3.571 20.046 1.00 13.30 H new ATOM 0 HD3 ARG A 110 -1.481 -5.284 19.909 1.00 13.30 H new ATOM 0 HE ARG A 110 0.748 -4.863 18.264 1.00 45.43 H new ATOM 0 HH11 ARG A 110 -0.102 -4.390 21.656 1.00 24.04 H new ATOM 0 HH12 ARG A 110 1.553 -4.628 22.225 1.00 24.04 H new ATOM 0 HH21 ARG A 110 2.872 -5.171 19.001 1.00 42.25 H new ATOM 0 HH22 ARG A 110 3.230 -5.069 20.728 1.00 42.25 H new ATOM 1677 N ALA A 111 -3.283 -0.851 17.831 1.00 73.13 N ATOM 1678 CA ALA A 111 -2.735 0.496 17.734 1.00 61.03 C ATOM 1679 C ALA A 111 -1.228 0.493 17.965 1.00 3.13 C ATOM 1680 O ALA A 111 -0.765 0.480 19.106 1.00 63.11 O ATOM 1681 CB ALA A 111 -3.422 1.419 18.730 1.00 71.55 C ATOM 0 H ALA A 111 -3.741 -1.057 18.719 1.00 73.13 H new ATOM 0 HA ALA A 111 -2.921 0.865 16.726 1.00 61.03 H new ATOM 0 HB1 ALA A 111 -3.003 2.422 18.646 1.00 71.55 H new ATOM 0 HB2 ALA A 111 -4.490 1.454 18.517 1.00 71.55 H new ATOM 0 HB3 ALA A 111 -3.266 1.044 19.741 1.00 71.55 H new ATOM 1687 N VAL A 112 -0.466 0.505 16.876 1.00 72.12 N ATOM 1688 CA VAL A 112 0.989 0.504 16.960 1.00 4.05 C ATOM 1689 C VAL A 112 1.503 1.787 17.604 1.00 42.01 C ATOM 1690 O VAL A 112 0.808 2.802 17.628 1.00 53.03 O ATOM 1691 CB VAL A 112 1.632 0.347 15.570 1.00 64.03 C ATOM 1692 CG1 VAL A 112 1.248 -0.988 14.951 1.00 33.41 C ATOM 1693 CG2 VAL A 112 1.228 1.500 14.663 1.00 25.12 C ATOM 0 H VAL A 112 -0.833 0.516 15.924 1.00 72.12 H new ATOM 0 HA VAL A 112 1.269 -0.348 17.579 1.00 4.05 H new ATOM 0 HB VAL A 112 2.716 0.368 15.686 1.00 64.03 H new ATOM 0 HG11 VAL A 112 1.712 -1.081 13.969 1.00 33.41 H new ATOM 0 HG12 VAL A 112 1.592 -1.799 15.593 1.00 33.41 H new ATOM 0 HG13 VAL A 112 0.164 -1.043 14.847 1.00 33.41 H new ATOM 0 HG21 VAL A 112 1.691 1.373 13.685 1.00 25.12 H new ATOM 0 HG22 VAL A 112 0.144 1.513 14.552 1.00 25.12 H new ATOM 0 HG23 VAL A 112 1.559 2.441 15.102 1.00 25.12 H new ATOM 1703 N GLN A 113 2.725 1.734 18.124 1.00 62.51 N ATOM 1704 CA GLN A 113 3.332 2.892 18.768 1.00 1.31 C ATOM 1705 C GLN A 113 3.423 4.068 17.800 1.00 31.45 C ATOM 1706 O GLN A 113 3.726 3.892 16.620 1.00 13.10 O ATOM 1707 CB GLN A 113 4.725 2.539 19.293 1.00 40.34 C ATOM 1708 CG GLN A 113 5.707 2.153 18.198 1.00 3.55 C ATOM 1709 CD GLN A 113 7.137 2.079 18.697 1.00 31.45 C ATOM 1710 OE1 GLN A 113 7.381 1.881 19.888 1.00 5.41 O ATOM 1711 NE2 GLN A 113 8.091 2.236 17.787 1.00 31.03 N ATOM 0 H GLN A 113 3.314 0.901 18.112 1.00 62.51 H new ATOM 0 HA GLN A 113 2.699 3.183 19.606 1.00 1.31 H new ATOM 0 HB2 GLN A 113 5.124 3.391 19.843 1.00 40.34 H new ATOM 0 HB3 GLN A 113 4.640 1.714 20.000 1.00 40.34 H new ATOM 0 HG2 GLN A 113 5.421 1.187 17.782 1.00 3.55 H new ATOM 0 HG3 GLN A 113 5.646 2.879 17.388 1.00 3.55 H new ATOM 0 HE21 GLN A 113 7.843 2.398 16.811 1.00 31.03 H new ATOM 0 HE22 GLN A 113 9.072 2.195 18.064 1.00 31.03 H new ATOM 1720 N LYS A 114 3.158 5.267 18.308 1.00 63.14 N ATOM 1721 CA LYS A 114 3.211 6.473 17.490 1.00 73.45 C ATOM 1722 C LYS A 114 4.652 6.831 17.140 1.00 74.44 C ATOM 1723 O LYS A 114 5.265 7.681 17.786 1.00 74.14 O ATOM 1724 CB LYS A 114 2.548 7.641 18.223 1.00 34.40 C ATOM 1725 CG LYS A 114 1.098 7.381 18.594 1.00 12.34 C ATOM 1726 CD LYS A 114 0.538 8.493 19.466 1.00 50.02 C ATOM 1727 CE LYS A 114 -0.021 9.631 18.626 1.00 11.42 C ATOM 1728 NZ LYS A 114 0.265 10.961 19.234 1.00 73.35 N ATOM 0 H LYS A 114 2.904 5.429 19.283 1.00 63.14 H new ATOM 0 HA LYS A 114 2.669 6.278 16.565 1.00 73.45 H new ATOM 0 HB2 LYS A 114 3.113 7.858 19.129 1.00 34.40 H new ATOM 0 HB3 LYS A 114 2.600 8.530 17.595 1.00 34.40 H new ATOM 0 HG2 LYS A 114 0.500 7.292 17.687 1.00 12.34 H new ATOM 0 HG3 LYS A 114 1.021 6.430 19.121 1.00 12.34 H new ATOM 0 HD2 LYS A 114 -0.247 8.093 20.108 1.00 50.02 H new ATOM 0 HD3 LYS A 114 1.322 8.873 20.121 1.00 50.02 H new ATOM 0 HE2 LYS A 114 0.409 9.589 17.625 1.00 11.42 H new ATOM 0 HE3 LYS A 114 -1.098 9.506 18.516 1.00 11.42 H new ATOM 0 HZ1 LYS A 114 -0.132 11.710 18.632 1.00 73.35 H new ATOM 0 HZ2 LYS A 114 -0.167 11.011 20.179 1.00 73.35 H new ATOM 0 HZ3 LYS A 114 1.294 11.091 19.316 1.00 73.35 H new TER 1742 LYS A 114