USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN : amide:sc= -0.173 K(o=-0.37,f=-10!) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -0.193 X(o=-0.37,f=0.11) USER MOD Set 2.1: A 61 GLN : amide:sc= -0.109 X(o=-1.1,f=-1.1) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.995 X(o=-1.1,f=-0.75) USER MOD Set 3.1: A 16 THR OG1 : rot -130:sc= 0.162 USER MOD Set 3.2: A 36 GLN : amide:sc= -0.62 K(o=-0.46,f=-1.8) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0812 (180deg=-0.495) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.655 (180deg=-0.114!) USER MOD Single : A 3 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.2 F(o=-0.78,f=-0.2) USER MOD Single : A 5 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.015) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.251 F(o=-1.4,f=-0.25) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-2.3) USER MOD Single : A 9 MET CE :methyl 164:sc= -0.089 (180deg=-0.573) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 15 GLN : amide:sc= -5.18! C(o=-5.2!,f=-10!) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0697 F(o=-2.7!,f=-0.07) USER MOD Single : A 33 ASN : amide:sc= -0.761 X(o=-0.76,f=-0.29) USER MOD Single : A 37 TYR OH : rot 160:sc= -0.267! USER MOD Single : A 38 SER OG : rot -12:sc= 0.777 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 31:sc= 0.0184 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0.648 (180deg=0.613) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 62 CYS SG : rot 90:sc= -3.93! USER MOD Single : A 68 GLN : amide:sc= -0.462 K(o=-0.46,f=-4.2!) USER MOD Single : A 71 THR OG1 : rot 150:sc= 0.201 USER MOD Single : A 73 MET CE :methyl 160:sc= -0.18 (180deg=-0.719) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0973 USER MOD Single : A 81 HIS : no HD1:sc= 0.614 K(o=0.61,f=-2.3!) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 86 SER OG : rot 10:sc= 1.18 USER MOD Single : A 92 TYR OH : rot 30:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.221 7.768 -15.004 1.00 73.22 N ATOM 2 CA MET A 1 -9.502 6.320 -14.876 1.00 15.13 C ATOM 3 C MET A 1 -10.591 6.084 -13.835 1.00 45.32 C ATOM 4 O MET A 1 -11.136 7.036 -13.273 1.00 32.32 O ATOM 5 CB MET A 1 -8.223 5.555 -14.496 1.00 22.50 C ATOM 6 CG MET A 1 -7.094 5.706 -15.510 1.00 70.23 C ATOM 7 SD MET A 1 -6.489 7.405 -15.645 1.00 24.24 S ATOM 8 CE MET A 1 -5.789 7.649 -14.011 1.00 64.32 C ATOM 0 H1 MET A 1 -8.264 7.903 -15.389 1.00 73.22 H new ATOM 0 H2 MET A 1 -9.916 8.201 -15.645 1.00 73.22 H new ATOM 0 H3 MET A 1 -9.285 8.218 -14.069 1.00 73.22 H new ATOM 0 HA MET A 1 -9.853 5.948 -15.839 1.00 15.13 H new ATOM 0 HB2 MET A 1 -7.876 5.906 -13.524 1.00 22.50 H new ATOM 0 HB3 MET A 1 -8.462 4.497 -14.386 1.00 22.50 H new ATOM 0 HG2 MET A 1 -6.268 5.054 -15.226 1.00 70.23 H new ATOM 0 HG3 MET A 1 -7.443 5.372 -16.487 1.00 70.23 H new ATOM 0 HE1 MET A 1 -5.095 8.489 -14.034 1.00 64.32 H new ATOM 0 HE2 MET A 1 -6.588 7.859 -13.300 1.00 64.32 H new ATOM 0 HE3 MET A 1 -5.258 6.748 -13.704 1.00 64.32 H new ATOM 20 N ALA A 2 -10.920 4.817 -13.599 1.00 54.21 N ATOM 21 CA ALA A 2 -11.931 4.443 -12.612 1.00 14.23 C ATOM 22 C ALA A 2 -11.540 3.144 -11.913 1.00 44.12 C ATOM 23 O ALA A 2 -11.302 3.131 -10.703 1.00 53.24 O ATOM 24 CB ALA A 2 -13.296 4.303 -13.279 1.00 73.44 C ATOM 0 H ALA A 2 -10.497 4.025 -14.082 1.00 54.21 H new ATOM 0 HA ALA A 2 -11.992 5.231 -11.861 1.00 14.23 H new ATOM 0 HB1 ALA A 2 -14.039 4.024 -12.532 1.00 73.44 H new ATOM 0 HB2 ALA A 2 -13.578 5.253 -13.734 1.00 73.44 H new ATOM 0 HB3 ALA A 2 -13.248 3.532 -14.048 1.00 73.44 H new ATOM 30 N HIS A 3 -11.459 2.060 -12.693 1.00 41.44 N ATOM 31 CA HIS A 3 -11.095 0.735 -12.178 1.00 1.43 C ATOM 32 C HIS A 3 -12.068 0.262 -11.098 1.00 4.31 C ATOM 33 O HIS A 3 -11.896 0.571 -9.921 1.00 2.31 O ATOM 34 CB HIS A 3 -9.656 0.717 -11.629 1.00 5.12 C ATOM 35 CG HIS A 3 -8.600 0.708 -12.694 1.00 63.14 C ATOM 36 ND1 HIS A 3 -7.705 -0.329 -12.858 1.00 24.54 N ATOM 37 CD2 HIS A 3 -8.296 1.617 -13.650 1.00 72.24 C ATOM 38 CE1 HIS A 3 -6.900 -0.056 -13.868 1.00 45.21 C ATOM 39 NE2 HIS A 3 -7.237 1.117 -14.366 1.00 10.03 N ATOM 0 H HIS A 3 -11.643 2.076 -13.696 1.00 41.44 H new ATOM 0 HA HIS A 3 -11.154 0.046 -13.021 1.00 1.43 H new ATOM 0 HB2 HIS A 3 -9.509 1.590 -10.993 1.00 5.12 H new ATOM 0 HB3 HIS A 3 -9.529 -0.163 -10.998 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -8.794 2.560 -13.818 1.00 72.24 H new ATOM 0 HE1 HIS A 3 -6.100 -0.687 -14.226 1.00 45.21 H new ATOM 0 HE2 HIS A 3 -6.784 1.578 -15.155 1.00 10.03 H new ATOM 48 N HIS A 4 -13.102 -0.457 -11.517 1.00 40.34 N ATOM 49 CA HIS A 4 -14.045 -1.098 -10.599 1.00 51.01 C ATOM 50 C HIS A 4 -14.633 -2.340 -11.257 1.00 53.23 C ATOM 51 O HIS A 4 -15.674 -2.272 -11.911 1.00 0.34 O ATOM 52 CB HIS A 4 -15.180 -0.142 -10.175 1.00 50.20 C ATOM 53 CG HIS A 4 -14.784 0.887 -9.156 1.00 33.32 C ATOM 54 ND1 HIS A 4 -14.029 0.784 -8.035 1.00 30.31 N flip ATOM 55 CD2 HIS A 4 -15.190 2.204 -9.217 1.00 2.31 C flip ATOM 56 CE1 HIS A 4 -13.992 2.024 -7.450 1.00 13.25 C flip ATOM 57 NE2 HIS A 4 -14.699 2.862 -8.184 1.00 22.43 N flip ATOM 0 H HIS A 4 -13.313 -0.614 -12.502 1.00 40.34 H new ATOM 0 HA HIS A 4 -13.497 -1.376 -9.699 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -15.556 0.369 -11.061 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -16.004 -0.733 -9.774 1.00 50.20 H new ATOM 0 HD2 HIS A 4 -15.813 2.630 -9.990 1.00 2.31 H new ATOM 0 HE1 HIS A 4 -13.470 2.274 -6.538 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -14.842 3.852 -7.986 1.00 22.43 H new ATOM 66 N HIS A 5 -13.933 -3.462 -11.129 1.00 52.40 N ATOM 67 CA HIS A 5 -14.381 -4.733 -11.695 1.00 51.23 C ATOM 68 C HIS A 5 -14.036 -5.882 -10.751 1.00 25.42 C ATOM 69 O HIS A 5 -12.902 -5.990 -10.282 1.00 52.12 O ATOM 70 CB HIS A 5 -13.749 -4.983 -13.078 1.00 11.32 C ATOM 71 CG HIS A 5 -14.203 -4.023 -14.140 1.00 24.41 C ATOM 72 ND1 HIS A 5 -15.264 -4.279 -14.982 1.00 1.43 N ATOM 73 CD2 HIS A 5 -13.740 -2.798 -14.490 1.00 64.02 C ATOM 74 CE1 HIS A 5 -15.435 -3.256 -15.797 1.00 33.02 C ATOM 75 NE2 HIS A 5 -14.524 -2.345 -15.519 1.00 22.00 N ATOM 0 H HIS A 5 -13.043 -3.518 -10.633 1.00 52.40 H new ATOM 0 HA HIS A 5 -15.463 -4.681 -11.819 1.00 51.23 H new ATOM 0 HB2 HIS A 5 -12.665 -4.922 -12.987 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -13.985 -5.999 -13.396 1.00 11.32 H new ATOM 0 HD2 HIS A 5 -12.908 -2.276 -14.041 1.00 64.02 H new ATOM 0 HE1 HIS A 5 -16.193 -3.178 -16.562 1.00 33.02 H new ATOM 0 HE2 HIS A 5 -14.419 -1.448 -15.993 1.00 22.00 H new ATOM 84 N HIS A 6 -15.021 -6.731 -10.473 1.00 34.21 N ATOM 85 CA HIS A 6 -14.824 -7.896 -9.609 1.00 74.21 C ATOM 86 C HIS A 6 -15.468 -9.135 -10.233 1.00 71.31 C ATOM 87 O HIS A 6 -16.658 -9.399 -10.058 1.00 5.52 O ATOM 88 CB HIS A 6 -15.360 -7.639 -8.183 1.00 64.32 C ATOM 89 CG HIS A 6 -16.777 -7.130 -8.100 1.00 13.35 C ATOM 90 ND1 HIS A 6 -17.739 -6.982 -9.046 1.00 0.10 N flip ATOM 91 CD2 HIS A 6 -17.344 -6.694 -6.922 1.00 40.24 C flip ATOM 92 CE1 HIS A 6 -18.849 -6.466 -8.429 1.00 55.12 C flip ATOM 93 NE2 HIS A 6 -18.584 -6.302 -7.148 1.00 52.24 N flip ATOM 0 H HIS A 6 -15.970 -6.635 -10.835 1.00 34.21 H new ATOM 0 HA HIS A 6 -13.753 -8.077 -9.520 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -15.293 -8.568 -7.616 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -14.705 -6.919 -7.693 1.00 64.32 H new ATOM 0 HD2 HIS A 6 -16.850 -6.676 -5.962 1.00 40.24 H new ATOM 0 HE1 HIS A 6 -19.786 -6.232 -8.913 1.00 55.12 H new ATOM 0 HE2 HIS A 6 -19.229 -5.934 -6.449 1.00 52.24 H new ATOM 102 N HIS A 7 -14.667 -9.881 -10.984 1.00 31.13 N ATOM 103 CA HIS A 7 -15.153 -11.038 -11.729 1.00 13.43 C ATOM 104 C HIS A 7 -15.433 -12.217 -10.795 1.00 13.23 C ATOM 105 O HIS A 7 -14.514 -12.935 -10.392 1.00 24.42 O ATOM 106 CB HIS A 7 -14.133 -11.449 -12.803 1.00 45.10 C ATOM 107 CG HIS A 7 -13.819 -10.358 -13.785 1.00 22.34 C ATOM 108 ND1 HIS A 7 -12.602 -9.714 -13.840 1.00 12.53 N ATOM 109 CD2 HIS A 7 -14.571 -9.806 -14.765 1.00 21.41 C ATOM 110 CE1 HIS A 7 -12.620 -8.819 -14.808 1.00 22.12 C ATOM 111 NE2 HIS A 7 -13.803 -8.854 -15.386 1.00 52.52 N ATOM 0 H HIS A 7 -13.669 -9.704 -11.094 1.00 31.13 H new ATOM 0 HA HIS A 7 -16.088 -10.756 -12.214 1.00 13.43 H new ATOM 0 HB2 HIS A 7 -13.211 -11.763 -12.314 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -14.517 -12.314 -13.344 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -15.589 -10.067 -15.013 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -11.803 -8.167 -15.081 1.00 22.12 H new ATOM 0 HE2 HIS A 7 -14.099 -8.269 -16.167 1.00 52.52 H new ATOM 120 N HIS A 8 -16.704 -12.401 -10.443 1.00 52.21 N ATOM 121 CA HIS A 8 -17.123 -13.541 -9.628 1.00 10.20 C ATOM 122 C HIS A 8 -17.096 -14.817 -10.473 1.00 44.12 C ATOM 123 O HIS A 8 -18.136 -15.325 -10.894 1.00 2.14 O ATOM 124 CB HIS A 8 -18.528 -13.299 -9.036 1.00 2.10 C ATOM 125 CG HIS A 8 -19.071 -14.450 -8.228 1.00 65.54 C ATOM 126 ND1 HIS A 8 -20.329 -14.982 -8.425 1.00 13.43 N ATOM 127 CD2 HIS A 8 -18.526 -15.157 -7.206 1.00 64.25 C ATOM 128 CE1 HIS A 8 -20.531 -15.961 -7.563 1.00 71.44 C ATOM 129 NE2 HIS A 8 -19.454 -16.088 -6.814 1.00 64.15 N ATOM 0 H HIS A 8 -17.463 -11.774 -10.710 1.00 52.21 H new ATOM 0 HA HIS A 8 -16.428 -13.659 -8.796 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -18.495 -12.411 -8.404 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -19.220 -13.085 -9.850 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -17.544 -15.013 -6.780 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -21.428 -16.558 -7.485 1.00 71.44 H new ATOM 0 HE2 HIS A 8 -19.331 -16.768 -6.064 1.00 64.15 H new ATOM 138 N MET A 9 -15.888 -15.303 -10.744 1.00 12.25 N ATOM 139 CA MET A 9 -15.692 -16.485 -11.578 1.00 2.23 C ATOM 140 C MET A 9 -16.039 -17.760 -10.811 1.00 52.43 C ATOM 141 O MET A 9 -17.134 -18.300 -10.955 1.00 54.21 O ATOM 142 CB MET A 9 -14.243 -16.540 -12.091 1.00 51.52 C ATOM 143 CG MET A 9 -13.869 -15.381 -13.007 1.00 71.54 C ATOM 144 SD MET A 9 -12.121 -15.382 -13.450 1.00 31.53 S ATOM 145 CE MET A 9 -11.958 -17.002 -14.196 1.00 44.51 C ATOM 0 H MET A 9 -15.023 -14.892 -10.394 1.00 12.25 H new ATOM 0 HA MET A 9 -16.364 -16.415 -12.434 1.00 2.23 H new ATOM 0 HB2 MET A 9 -13.566 -16.549 -11.237 1.00 51.52 H new ATOM 0 HB3 MET A 9 -14.093 -17.477 -12.627 1.00 51.52 H new ATOM 0 HG2 MET A 9 -14.470 -15.432 -13.915 1.00 71.54 H new ATOM 0 HG3 MET A 9 -14.115 -14.440 -12.515 1.00 71.54 H new ATOM 0 HE1 MET A 9 -11.031 -17.048 -14.768 1.00 44.51 H new ATOM 0 HE2 MET A 9 -11.941 -17.762 -13.415 1.00 44.51 H new ATOM 0 HE3 MET A 9 -12.803 -17.183 -14.860 1.00 44.51 H new ATOM 155 N GLY A 10 -15.112 -18.219 -9.973 1.00 33.52 N ATOM 156 CA GLY A 10 -15.324 -19.440 -9.218 1.00 73.32 C ATOM 157 C GLY A 10 -14.017 -20.023 -8.721 1.00 21.22 C ATOM 158 O GLY A 10 -13.230 -20.554 -9.506 1.00 31.32 O ATOM 0 H GLY A 10 -14.215 -17.764 -9.804 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -15.977 -19.235 -8.370 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -15.835 -20.172 -9.844 1.00 73.32 H new ATOM 162 N THR A 11 -13.779 -19.906 -7.422 1.00 23.20 N ATOM 163 CA THR A 11 -12.550 -20.389 -6.801 1.00 64.11 C ATOM 164 C THR A 11 -12.790 -20.620 -5.305 1.00 2.14 C ATOM 165 O THR A 11 -13.682 -20.003 -4.723 1.00 24.42 O ATOM 166 CB THR A 11 -11.391 -19.373 -7.000 1.00 61.21 C ATOM 167 OG1 THR A 11 -11.232 -19.073 -8.397 1.00 21.55 O ATOM 168 CG2 THR A 11 -10.073 -19.909 -6.449 1.00 2.40 C ATOM 0 H THR A 11 -14.431 -19.474 -6.768 1.00 23.20 H new ATOM 0 HA THR A 11 -12.265 -21.328 -7.276 1.00 64.11 H new ATOM 0 HB THR A 11 -11.651 -18.468 -6.451 1.00 61.21 H new ATOM 0 HG1 THR A 11 -10.501 -18.431 -8.513 1.00 21.55 H new ATOM 0 HG21 THR A 11 -9.286 -19.171 -6.606 1.00 2.40 H new ATOM 0 HG22 THR A 11 -10.178 -20.106 -5.382 1.00 2.40 H new ATOM 0 HG23 THR A 11 -9.812 -20.833 -6.965 1.00 2.40 H new ATOM 176 N LEU A 12 -12.017 -21.517 -4.695 1.00 10.11 N ATOM 177 CA LEU A 12 -12.141 -21.787 -3.262 1.00 62.34 C ATOM 178 C LEU A 12 -11.482 -20.666 -2.436 1.00 50.51 C ATOM 179 O LEU A 12 -11.586 -19.503 -2.814 1.00 4.12 O ATOM 180 CB LEU A 12 -11.584 -23.179 -2.934 1.00 73.43 C ATOM 181 CG LEU A 12 -12.422 -24.350 -3.473 1.00 43.20 C ATOM 182 CD1 LEU A 12 -11.796 -25.681 -3.074 1.00 34.05 C ATOM 183 CD2 LEU A 12 -13.871 -24.254 -2.979 1.00 2.42 C ATOM 0 H LEU A 12 -11.300 -22.068 -5.168 1.00 10.11 H new ATOM 0 HA LEU A 12 -13.195 -21.793 -2.986 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -10.575 -23.256 -3.338 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -11.502 -23.277 -1.851 1.00 73.43 H new ATOM 0 HG LEU A 12 -12.435 -24.293 -4.561 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -12.402 -26.499 -3.464 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -10.789 -25.747 -3.485 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -11.749 -25.750 -1.987 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -14.446 -25.092 -3.372 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -13.887 -24.283 -1.889 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -14.312 -23.319 -3.324 1.00 2.42 H new ATOM 195 N GLU A 13 -10.785 -21.006 -1.343 1.00 11.24 N ATOM 196 CA GLU A 13 -10.423 -20.033 -0.295 1.00 2.42 C ATOM 197 C GLU A 13 -9.588 -18.832 -0.806 1.00 25.54 C ATOM 198 O GLU A 13 -9.239 -17.947 -0.020 1.00 43.43 O ATOM 199 CB GLU A 13 -9.668 -20.730 0.854 1.00 52.23 C ATOM 200 CG GLU A 13 -10.401 -21.902 1.514 1.00 2.02 C ATOM 201 CD GLU A 13 -10.372 -23.176 0.682 1.00 23.10 C ATOM 202 OE1 GLU A 13 -9.268 -23.720 0.474 1.00 20.54 O ATOM 203 OE2 GLU A 13 -11.446 -23.635 0.243 1.00 31.04 O ATOM 0 H GLU A 13 -10.457 -21.954 -1.158 1.00 11.24 H new ATOM 0 HA GLU A 13 -11.369 -19.626 0.061 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -8.714 -21.091 0.471 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -9.444 -19.988 1.620 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -9.951 -22.101 2.487 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -11.438 -21.618 1.694 1.00 2.02 H new ATOM 210 N ALA A 14 -9.274 -18.791 -2.101 1.00 34.40 N ATOM 211 CA ALA A 14 -8.522 -17.672 -2.679 1.00 21.23 C ATOM 212 C ALA A 14 -9.368 -16.389 -2.705 1.00 55.24 C ATOM 213 O ALA A 14 -10.545 -16.415 -3.081 1.00 61.00 O ATOM 214 CB ALA A 14 -8.039 -18.025 -4.083 1.00 34.11 C ATOM 0 H ALA A 14 -9.527 -19.518 -2.771 1.00 34.40 H new ATOM 0 HA ALA A 14 -7.653 -17.486 -2.047 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -7.483 -17.185 -4.498 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -7.392 -18.901 -4.036 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -8.897 -18.242 -4.719 1.00 34.11 H new ATOM 220 N GLN A 15 -8.756 -15.266 -2.323 1.00 62.31 N ATOM 221 CA GLN A 15 -9.470 -13.993 -2.199 1.00 61.21 C ATOM 222 C GLN A 15 -8.526 -12.811 -2.438 1.00 41.33 C ATOM 223 O GLN A 15 -7.449 -12.973 -3.012 1.00 55.20 O ATOM 224 CB GLN A 15 -10.070 -13.874 -0.792 1.00 32.53 C ATOM 225 CG GLN A 15 -9.018 -13.676 0.299 1.00 2.10 C ATOM 226 CD GLN A 15 -9.617 -13.270 1.629 1.00 32.43 C ATOM 227 OE1 GLN A 15 -10.709 -12.708 1.683 1.00 73.03 O ATOM 228 NE2 GLN A 15 -8.874 -13.485 2.704 1.00 54.22 N ATOM 0 H GLN A 15 -7.764 -15.212 -2.093 1.00 62.31 H new ATOM 0 HA GLN A 15 -10.261 -13.971 -2.949 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -10.767 -13.036 -0.771 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -10.646 -14.773 -0.573 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -8.456 -14.601 0.427 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -8.308 -12.914 -0.022 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -7.973 -13.955 2.616 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -9.203 -13.180 3.620 1.00 54.22 H new ATOM 237 N THR A 16 -8.954 -11.621 -2.008 1.00 54.24 N ATOM 238 CA THR A 16 -8.094 -10.435 -1.985 1.00 21.43 C ATOM 239 C THR A 16 -7.584 -10.183 -0.559 1.00 75.24 C ATOM 240 O THR A 16 -6.386 -10.028 -0.338 1.00 55.04 O ATOM 241 CB THR A 16 -8.857 -9.187 -2.484 1.00 2.14 C ATOM 242 OG1 THR A 16 -9.588 -9.509 -3.678 1.00 30.03 O ATOM 243 CG2 THR A 16 -7.901 -8.030 -2.765 1.00 42.53 C ATOM 0 H THR A 16 -9.901 -11.453 -1.668 1.00 54.24 H new ATOM 0 HA THR A 16 -7.250 -10.618 -2.650 1.00 21.43 H new ATOM 0 HB THR A 16 -9.548 -8.877 -1.700 1.00 2.14 H new ATOM 0 HG1 THR A 16 -9.399 -8.839 -4.368 1.00 30.03 H new ATOM 0 HG21 THR A 16 -8.467 -7.167 -3.114 1.00 42.53 H new ATOM 0 HG22 THR A 16 -7.368 -7.768 -1.851 1.00 42.53 H new ATOM 0 HG23 THR A 16 -7.184 -8.328 -3.530 1.00 42.53 H new ATOM 251 N GLN A 17 -8.513 -10.148 0.398 1.00 13.34 N ATOM 252 CA GLN A 17 -8.190 -9.979 1.816 1.00 34.33 C ATOM 253 C GLN A 17 -9.465 -10.129 2.640 1.00 53.31 C ATOM 254 O GLN A 17 -10.537 -9.707 2.197 1.00 40.31 O ATOM 255 CB GLN A 17 -7.538 -8.612 2.089 1.00 1.43 C ATOM 256 CG GLN A 17 -7.108 -8.425 3.543 1.00 44.23 C ATOM 257 CD GLN A 17 -6.437 -7.085 3.813 1.00 62.21 C ATOM 258 OE1 GLN A 17 -5.723 -6.556 2.830 1.00 74.11 O flip ATOM 259 NE2 GLN A 17 -6.541 -6.541 4.913 1.00 32.34 N flip ATOM 0 H GLN A 17 -9.512 -10.236 0.211 1.00 13.34 H new ATOM 0 HA GLN A 17 -7.470 -10.746 2.101 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -6.668 -8.497 1.443 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -8.240 -7.823 1.821 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -7.982 -8.520 4.187 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -6.422 -9.227 3.816 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -7.099 -6.977 5.647 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -6.069 -5.654 5.090 1.00 32.34 H new ATOM 268 N GLY A 18 -9.354 -10.736 3.822 1.00 74.42 N ATOM 269 CA GLY A 18 -10.531 -11.014 4.636 1.00 12.00 C ATOM 270 C GLY A 18 -10.377 -10.549 6.075 1.00 35.14 C ATOM 271 O GLY A 18 -9.557 -11.095 6.818 1.00 43.04 O ATOM 0 H GLY A 18 -8.471 -11.040 4.231 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -11.398 -10.525 4.192 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -10.730 -12.086 4.625 1.00 12.00 H new ATOM 275 N PRO A 19 -11.145 -9.524 6.497 1.00 2.43 N ATOM 276 CA PRO A 19 -11.129 -9.043 7.880 1.00 73.41 C ATOM 277 C PRO A 19 -11.986 -9.922 8.801 1.00 73.01 C ATOM 278 O PRO A 19 -12.930 -10.575 8.350 1.00 12.24 O ATOM 279 CB PRO A 19 -11.719 -7.633 7.757 1.00 61.45 C ATOM 280 CG PRO A 19 -12.663 -7.721 6.603 1.00 2.54 C ATOM 281 CD PRO A 19 -12.080 -8.745 5.652 1.00 51.13 C ATOM 0 HA PRO A 19 -10.133 -9.062 8.323 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -12.235 -7.338 8.670 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -10.941 -6.891 7.577 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -13.657 -8.021 6.936 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -12.770 -6.753 6.114 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -12.856 -9.380 5.224 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -11.563 -8.268 4.819 1.00 51.13 H new ATOM 289 N GLY A 20 -11.651 -9.940 10.090 1.00 44.34 N ATOM 290 CA GLY A 20 -12.399 -10.743 11.042 1.00 15.12 C ATOM 291 C GLY A 20 -11.966 -10.497 12.473 1.00 30.50 C ATOM 292 O GLY A 20 -10.792 -10.219 12.732 1.00 30.22 O ATOM 0 H GLY A 20 -10.875 -9.413 10.491 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -13.462 -10.521 10.944 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -12.270 -11.799 10.803 1.00 15.12 H new ATOM 296 N SER A 21 -12.919 -10.584 13.394 1.00 5.35 N ATOM 297 CA SER A 21 -12.656 -10.415 14.820 1.00 13.22 C ATOM 298 C SER A 21 -12.382 -11.767 15.480 1.00 35.21 C ATOM 299 O SER A 21 -12.549 -12.813 14.852 1.00 61.22 O ATOM 300 CB SER A 21 -13.855 -9.730 15.483 1.00 65.31 C ATOM 301 OG SER A 21 -14.145 -8.495 14.845 1.00 31.31 O ATOM 0 H SER A 21 -13.897 -10.774 13.174 1.00 5.35 H new ATOM 0 HA SER A 21 -11.771 -9.791 14.947 1.00 13.22 H new ATOM 0 HB2 SER A 21 -14.726 -10.383 15.434 1.00 65.31 H new ATOM 0 HB3 SER A 21 -13.644 -9.559 16.539 1.00 65.31 H new ATOM 0 HG SER A 21 -14.915 -8.074 15.282 1.00 31.31 H new ATOM 307 N MET A 22 -11.963 -11.744 16.742 1.00 40.34 N ATOM 308 CA MET A 22 -11.649 -12.968 17.480 1.00 11.43 C ATOM 309 C MET A 22 -12.879 -13.489 18.228 1.00 25.31 C ATOM 310 O MET A 22 -13.352 -12.866 19.184 1.00 73.35 O ATOM 311 CB MET A 22 -10.496 -12.724 18.467 1.00 14.10 C ATOM 312 CG MET A 22 -9.167 -12.395 17.796 1.00 73.13 C ATOM 313 SD MET A 22 -7.838 -12.104 18.986 1.00 12.04 S ATOM 314 CE MET A 22 -6.458 -11.775 17.888 1.00 34.42 C ATOM 0 H MET A 22 -11.832 -10.887 17.279 1.00 40.34 H new ATOM 0 HA MET A 22 -11.340 -13.723 16.758 1.00 11.43 H new ATOM 0 HB2 MET A 22 -10.768 -11.905 19.133 1.00 14.10 H new ATOM 0 HB3 MET A 22 -10.369 -13.611 19.088 1.00 14.10 H new ATOM 0 HG2 MET A 22 -8.885 -13.215 17.136 1.00 73.13 H new ATOM 0 HG3 MET A 22 -9.289 -11.511 17.171 1.00 73.13 H new ATOM 0 HE1 MET A 22 -5.563 -11.577 18.478 1.00 34.42 H new ATOM 0 HE2 MET A 22 -6.287 -12.641 17.249 1.00 34.42 H new ATOM 0 HE3 MET A 22 -6.684 -10.907 17.269 1.00 34.42 H new ATOM 324 N ASP A 23 -13.395 -14.628 17.769 1.00 74.42 N ATOM 325 CA ASP A 23 -14.551 -15.289 18.388 1.00 12.13 C ATOM 326 C ASP A 23 -14.226 -16.765 18.625 1.00 74.30 C ATOM 327 O ASP A 23 -13.083 -17.189 18.440 1.00 71.42 O ATOM 328 CB ASP A 23 -15.800 -15.172 17.489 1.00 21.15 C ATOM 329 CG ASP A 23 -16.242 -13.734 17.243 1.00 3.10 C ATOM 330 OD1 ASP A 23 -15.498 -12.984 16.577 1.00 40.20 O ATOM 331 OD2 ASP A 23 -17.349 -13.361 17.678 1.00 33.13 O ATOM 0 H ASP A 23 -13.025 -15.122 16.957 1.00 74.42 H new ATOM 0 HA ASP A 23 -14.764 -14.798 19.338 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -15.594 -15.649 16.531 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -16.621 -15.722 17.949 1.00 21.15 H new ATOM 336 N ASP A 24 -15.234 -17.541 19.016 1.00 42.31 N ATOM 337 CA ASP A 24 -15.073 -18.975 19.271 1.00 42.05 C ATOM 338 C ASP A 24 -16.071 -19.771 18.420 1.00 40.34 C ATOM 339 O ASP A 24 -16.932 -19.171 17.768 1.00 21.12 O ATOM 340 CB ASP A 24 -15.277 -19.259 20.771 1.00 70.42 C ATOM 341 CG ASP A 24 -15.056 -20.717 21.155 1.00 43.13 C ATOM 342 OD1 ASP A 24 -13.902 -21.192 21.076 1.00 14.53 O ATOM 343 OD2 ASP A 24 -16.038 -21.397 21.528 1.00 1.13 O ATOM 0 H ASP A 24 -16.183 -17.198 19.165 1.00 42.31 H new ATOM 0 HA ASP A 24 -14.066 -19.286 18.994 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -14.594 -18.634 21.346 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -16.289 -18.968 21.052 1.00 70.42 H new ATOM 348 N GLU A 25 -15.945 -21.107 18.433 1.00 43.24 N ATOM 349 CA GLU A 25 -16.812 -22.012 17.661 1.00 32.13 C ATOM 350 C GLU A 25 -16.473 -21.977 16.166 1.00 71.11 C ATOM 351 O GLU A 25 -15.769 -21.076 15.698 1.00 11.21 O ATOM 352 CB GLU A 25 -18.300 -21.701 17.903 1.00 24.04 C ATOM 353 CG GLU A 25 -18.739 -21.968 19.339 1.00 41.52 C ATOM 354 CD GLU A 25 -20.191 -21.606 19.599 1.00 11.45 C ATOM 355 OE1 GLU A 25 -21.091 -22.360 19.170 1.00 40.34 O ATOM 356 OE2 GLU A 25 -20.441 -20.567 20.248 1.00 25.03 O ATOM 0 H GLU A 25 -15.236 -21.593 18.982 1.00 43.24 H new ATOM 0 HA GLU A 25 -16.623 -23.025 18.015 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -18.491 -20.656 17.659 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -18.906 -22.303 17.226 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -18.588 -23.023 19.568 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -18.103 -21.400 20.018 1.00 41.52 H new ATOM 363 N LEU A 26 -16.965 -22.975 15.427 1.00 21.21 N ATOM 364 CA LEU A 26 -16.624 -23.130 14.011 1.00 15.43 C ATOM 365 C LEU A 26 -17.229 -22.027 13.149 1.00 11.11 C ATOM 366 O LEU A 26 -18.345 -21.553 13.388 1.00 33.23 O ATOM 367 CB LEU A 26 -17.066 -24.499 13.455 1.00 3.44 C ATOM 368 CG LEU A 26 -16.265 -25.722 13.935 1.00 42.43 C ATOM 369 CD1 LEU A 26 -14.766 -25.481 13.817 1.00 63.11 C ATOM 370 CD2 LEU A 26 -16.644 -26.114 15.358 1.00 21.13 C ATOM 0 H LEU A 26 -17.601 -23.687 15.786 1.00 21.21 H new ATOM 0 HA LEU A 26 -15.537 -23.061 13.962 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.113 -24.652 13.716 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.011 -24.460 12.367 1.00 3.44 H new ATOM 0 HG LEU A 26 -16.523 -26.556 13.282 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -14.227 -26.363 14.164 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -14.510 -25.285 12.776 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -14.486 -24.622 14.427 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.059 -26.981 15.665 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -16.439 -25.282 16.031 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -17.705 -26.360 15.397 1.00 21.13 H new ATOM 382 N TYR A 27 -16.467 -21.647 12.136 1.00 5.01 N ATOM 383 CA TYR A 27 -16.865 -20.666 11.143 1.00 1.23 C ATOM 384 C TYR A 27 -16.458 -21.169 9.761 1.00 21.45 C ATOM 385 O TYR A 27 -15.473 -21.913 9.626 1.00 35.30 O ATOM 386 CB TYR A 27 -16.199 -19.302 11.425 1.00 52.12 C ATOM 387 CG TYR A 27 -16.929 -18.433 12.440 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.056 -18.816 13.775 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.494 -17.220 12.056 1.00 22.21 C ATOM 390 CE1 TYR A 27 -17.725 -18.019 14.688 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.159 -16.422 12.963 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.273 -16.824 14.274 1.00 13.21 C ATOM 393 OH TYR A 27 -18.942 -16.025 15.173 1.00 30.44 O ATOM 0 H TYR A 27 -15.532 -22.022 11.979 1.00 5.01 H new ATOM 0 HA TYR A 27 -17.946 -20.530 11.186 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.183 -19.476 11.780 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.119 -18.752 10.487 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -16.625 -19.751 14.102 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.410 -16.898 11.029 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -17.817 -18.331 15.718 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.589 -15.484 12.645 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.265 -15.219 14.718 1.00 30.44 H new ATOM 403 N PHE A 28 -17.235 -20.795 8.750 1.00 71.32 N ATOM 404 CA PHE A 28 -16.894 -21.077 7.360 1.00 10.14 C ATOM 405 C PHE A 28 -16.492 -19.785 6.667 1.00 42.44 C ATOM 406 O PHE A 28 -16.757 -18.696 7.175 1.00 44.14 O ATOM 407 CB PHE A 28 -18.070 -21.742 6.609 1.00 40.34 C ATOM 408 CG PHE A 28 -17.749 -23.134 6.134 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.491 -23.426 5.644 1.00 74.33 C ATOM 410 CD2 PHE A 28 -18.682 -24.155 6.205 1.00 65.42 C ATOM 411 CE1 PHE A 28 -16.177 -24.696 5.225 1.00 21.32 C ATOM 412 CE2 PHE A 28 -18.357 -25.435 5.784 1.00 62.14 C ATOM 413 CZ PHE A 28 -17.110 -25.698 5.297 1.00 60.33 C ATOM 0 H PHE A 28 -18.114 -20.291 8.869 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.059 -21.778 7.347 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.939 -21.779 7.265 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.343 -21.125 5.753 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.745 -22.647 5.590 1.00 74.33 H new ATOM 0 HD2 PHE A 28 -19.670 -23.952 6.591 1.00 65.42 H new ATOM 0 HE1 PHE A 28 -15.191 -24.906 4.837 1.00 21.32 H new ATOM 0 HE2 PHE A 28 -19.091 -26.225 5.842 1.00 62.14 H new ATOM 0 HZ PHE A 28 -16.858 -26.695 4.968 1.00 60.33 H new ATOM 423 N VAL A 29 -15.867 -19.902 5.504 1.00 31.31 N ATOM 424 CA VAL A 29 -15.414 -18.731 4.771 1.00 3.35 C ATOM 425 C VAL A 29 -16.389 -18.454 3.627 1.00 63.31 C ATOM 426 O VAL A 29 -16.518 -19.258 2.713 1.00 22.10 O ATOM 427 CB VAL A 29 -13.978 -18.935 4.223 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.463 -17.658 3.580 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.022 -19.411 5.325 1.00 71.30 C ATOM 0 H VAL A 29 -15.663 -20.792 5.050 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.388 -17.876 5.447 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.020 -19.713 3.461 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.454 -17.822 3.202 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.118 -17.376 2.756 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.447 -16.858 4.321 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.024 -19.544 4.908 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.986 -18.668 6.122 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.376 -20.359 5.729 1.00 71.30 H new ATOM 439 N VAL A 30 -17.082 -17.323 3.681 1.00 64.44 N ATOM 440 CA VAL A 30 -18.193 -17.053 2.764 1.00 74.31 C ATOM 441 C VAL A 30 -18.004 -15.732 2.032 1.00 41.10 C ATOM 442 O VAL A 30 -17.162 -14.914 2.418 1.00 44.12 O ATOM 443 CB VAL A 30 -19.541 -17.002 3.524 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.760 -18.286 4.322 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.610 -15.772 4.432 1.00 64.13 C ATOM 0 H VAL A 30 -16.897 -16.575 4.349 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.206 -17.868 2.041 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.342 -16.920 2.790 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.713 -18.229 4.848 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.771 -19.139 3.643 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.953 -18.407 5.045 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.566 -15.759 4.955 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.799 -15.811 5.159 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.514 -14.869 3.829 1.00 64.13 H new ATOM 455 N ARG A 31 -18.784 -15.537 0.970 1.00 74.21 N ATOM 456 CA ARG A 31 -18.764 -14.274 0.220 1.00 61.34 C ATOM 457 C ARG A 31 -19.917 -14.208 -0.768 1.00 65.32 C ATOM 458 O ARG A 31 -20.617 -15.196 -0.977 1.00 35.24 O ATOM 459 CB ARG A 31 -17.442 -14.100 -0.545 1.00 41.42 C ATOM 460 CG ARG A 31 -17.208 -15.139 -1.639 1.00 24.13 C ATOM 461 CD ARG A 31 -15.959 -14.831 -2.461 1.00 34.43 C ATOM 462 NE ARG A 31 -15.623 -15.918 -3.388 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.379 -16.215 -3.785 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.351 -15.465 -3.396 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.163 -17.260 -4.570 1.00 53.34 N ATOM 0 H ARG A 31 -19.437 -16.232 0.607 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.864 -13.470 0.949 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -17.423 -13.107 -0.993 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.616 -14.145 0.165 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.110 -16.126 -1.187 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -18.076 -15.174 -2.297 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -16.115 -13.911 -3.024 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -15.118 -14.656 -1.790 1.00 34.43 H new ATOM 0 HE ARG A 31 -16.388 -16.485 -3.754 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.508 -14.658 -2.792 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.406 -15.697 -3.702 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -14.945 -17.840 -4.873 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -13.215 -17.484 -4.871 1.00 53.34 H new ATOM 479 N ASN A 32 -20.124 -13.034 -1.365 1.00 2.23 N ATOM 480 CA ASN A 32 -21.026 -12.926 -2.509 1.00 31.43 C ATOM 481 C ASN A 32 -20.575 -11.815 -3.448 1.00 1.13 C ATOM 482 O ASN A 32 -20.181 -10.743 -3.002 1.00 32.34 O ATOM 483 CB ASN A 32 -22.479 -12.670 -2.052 1.00 44.45 C ATOM 484 CG ASN A 32 -22.719 -11.284 -1.441 1.00 22.14 C ATOM 485 OD1 ASN A 32 -21.758 -10.773 -0.679 1.00 21.30 O flip ATOM 486 ND2 ASN A 32 -23.783 -10.686 -1.636 1.00 21.21 N flip ATOM 0 H ASN A 32 -19.686 -12.158 -1.080 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.995 -13.875 -3.044 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -23.143 -12.796 -2.907 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.755 -13.429 -1.320 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -24.502 -11.104 -2.226 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -23.942 -9.774 -1.207 1.00 21.21 H new ATOM 493 N ASN A 33 -20.682 -12.096 -4.751 1.00 42.50 N ATOM 494 CA ASN A 33 -20.416 -11.151 -5.860 1.00 1.24 C ATOM 495 C ASN A 33 -19.293 -10.118 -5.583 1.00 14.24 C ATOM 496 O ASN A 33 -19.219 -9.092 -6.261 1.00 32.20 O ATOM 497 CB ASN A 33 -21.731 -10.434 -6.221 1.00 73.12 C ATOM 498 CG ASN A 33 -21.742 -9.872 -7.637 1.00 2.33 C ATOM 499 OD1 ASN A 33 -22.102 -10.567 -8.589 1.00 42.53 O ATOM 500 ND2 ASN A 33 -21.359 -8.614 -7.788 1.00 65.15 N ATOM 0 H ASN A 33 -20.966 -13.018 -5.082 1.00 42.50 H new ATOM 0 HA ASN A 33 -20.044 -11.745 -6.695 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -22.560 -11.132 -6.108 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -21.900 -9.622 -5.514 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -21.356 -8.190 -8.716 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -21.067 -8.069 -6.977 1.00 65.15 H new ATOM 507 N GLU A 34 -18.401 -10.391 -4.625 1.00 12.12 N ATOM 508 CA GLU A 34 -17.381 -9.410 -4.232 1.00 15.25 C ATOM 509 C GLU A 34 -15.969 -9.862 -4.613 1.00 55.43 C ATOM 510 O GLU A 34 -15.118 -9.039 -4.956 1.00 11.43 O ATOM 511 CB GLU A 34 -17.462 -9.167 -2.716 1.00 31.40 C ATOM 512 CG GLU A 34 -17.252 -10.430 -1.880 1.00 45.21 C ATOM 513 CD GLU A 34 -17.545 -10.219 -0.400 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.730 -9.564 0.285 1.00 52.32 O ATOM 515 OE2 GLU A 34 -18.591 -10.714 0.078 1.00 70.25 O ATOM 0 H GLU A 34 -18.363 -11.272 -4.112 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.582 -8.485 -4.772 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.713 -8.427 -2.435 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.436 -8.741 -2.477 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.894 -11.223 -2.262 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.223 -10.769 -1.996 1.00 45.21 H new ATOM 522 N GLY A 35 -15.734 -11.169 -4.588 1.00 13.30 N ATOM 523 CA GLY A 35 -14.410 -11.707 -4.880 1.00 3.53 C ATOM 524 C GLY A 35 -13.531 -11.816 -3.639 1.00 21.20 C ATOM 525 O GLY A 35 -12.597 -12.621 -3.602 1.00 11.05 O ATOM 0 H GLY A 35 -16.439 -11.873 -4.370 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.515 -12.693 -5.333 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.917 -11.069 -5.614 1.00 3.53 H new ATOM 529 N GLN A 36 -13.840 -11.024 -2.613 1.00 72.42 N ATOM 530 CA GLN A 36 -13.169 -11.138 -1.316 1.00 74.31 C ATOM 531 C GLN A 36 -13.947 -12.111 -0.448 1.00 21.04 C ATOM 532 O GLN A 36 -15.014 -12.562 -0.847 1.00 51.11 O ATOM 533 CB GLN A 36 -13.060 -9.775 -0.609 1.00 41.20 C ATOM 534 CG GLN A 36 -12.230 -8.744 -1.370 1.00 14.33 C ATOM 535 CD GLN A 36 -12.938 -8.197 -2.598 1.00 24.11 C ATOM 536 OE1 GLN A 36 -14.163 -8.070 -2.612 1.00 61.54 O ATOM 537 NE2 GLN A 36 -12.180 -7.898 -3.643 1.00 51.11 N ATOM 0 H GLN A 36 -14.552 -10.295 -2.654 1.00 72.42 H new ATOM 0 HA GLN A 36 -12.155 -11.502 -1.480 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.063 -9.376 -0.455 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -12.621 -9.923 0.377 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -11.985 -7.919 -0.701 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -11.287 -9.198 -1.674 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -11.168 -8.018 -3.590 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -12.608 -7.548 -4.500 1.00 51.11 H new ATOM 546 N TYR A 37 -13.422 -12.442 0.723 1.00 44.03 N ATOM 547 CA TYR A 37 -14.101 -13.375 1.619 1.00 31.33 C ATOM 548 C TYR A 37 -14.485 -12.724 2.939 1.00 72.14 C ATOM 549 O TYR A 37 -14.113 -11.588 3.238 1.00 73.10 O ATOM 550 CB TYR A 37 -13.235 -14.613 1.895 1.00 65.43 C ATOM 551 CG TYR A 37 -13.410 -15.723 0.878 1.00 23.52 C ATOM 552 CD1 TYR A 37 -14.667 -16.270 0.633 1.00 60.30 C ATOM 553 CD2 TYR A 37 -12.330 -16.231 0.171 1.00 24.31 C ATOM 554 CE1 TYR A 37 -14.838 -17.278 -0.281 1.00 72.34 C ATOM 555 CE2 TYR A 37 -12.499 -17.242 -0.752 1.00 24.44 C ATOM 556 CZ TYR A 37 -13.759 -17.758 -0.971 1.00 11.32 C ATOM 557 OH TYR A 37 -13.948 -18.751 -1.894 1.00 0.35 O ATOM 0 H TYR A 37 -12.535 -12.083 1.076 1.00 44.03 H new ATOM 0 HA TYR A 37 -15.014 -13.681 1.108 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -12.187 -14.314 1.916 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -13.476 -14.999 2.885 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -15.523 -15.893 1.173 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -11.343 -15.829 0.346 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -15.821 -17.691 -0.455 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -11.651 -17.627 -1.299 1.00 24.44 H new ATOM 0 HH TYR A 37 -13.188 -18.772 -2.512 1.00 0.35 H new ATOM 567 N SER A 38 -15.250 -13.483 3.702 1.00 71.15 N ATOM 568 CA SER A 38 -15.650 -13.139 5.050 1.00 73.51 C ATOM 569 C SER A 38 -15.831 -14.447 5.812 1.00 12.10 C ATOM 570 O SER A 38 -15.685 -15.520 5.223 1.00 11.10 O ATOM 571 CB SER A 38 -16.946 -12.313 5.027 1.00 52.44 C ATOM 572 OG SER A 38 -17.934 -12.919 4.209 1.00 71.45 O ATOM 0 H SER A 38 -15.620 -14.381 3.390 1.00 71.15 H new ATOM 0 HA SER A 38 -14.895 -12.525 5.541 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.328 -12.206 6.042 1.00 52.44 H new ATOM 0 HB3 SER A 38 -16.733 -11.309 4.659 1.00 52.44 H new ATOM 0 HG SER A 38 -17.527 -13.638 3.682 1.00 71.45 H new ATOM 578 N VAL A 39 -16.133 -14.384 7.098 1.00 63.03 N ATOM 579 CA VAL A 39 -16.303 -15.599 7.884 1.00 5.30 C ATOM 580 C VAL A 39 -17.671 -15.629 8.566 1.00 14.12 C ATOM 581 O VAL A 39 -18.074 -14.681 9.246 1.00 3.12 O ATOM 582 CB VAL A 39 -15.158 -15.758 8.912 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.862 -16.169 8.203 1.00 34.34 C ATOM 584 CG2 VAL A 39 -14.948 -14.460 9.686 1.00 24.42 C ATOM 0 H VAL A 39 -16.265 -13.516 7.617 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.258 -16.448 7.202 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.435 -16.540 9.619 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.064 -16.278 8.938 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.014 -17.118 7.689 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.586 -15.404 7.478 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.139 -14.592 10.404 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -14.691 -13.660 8.992 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -15.864 -14.200 10.216 1.00 24.42 H new ATOM 594 N TRP A 40 -18.360 -16.747 8.382 1.00 31.10 N ATOM 595 CA TRP A 40 -19.752 -16.913 8.783 1.00 74.31 C ATOM 596 C TRP A 40 -19.851 -18.041 9.804 1.00 25.31 C ATOM 597 O TRP A 40 -19.221 -19.084 9.630 1.00 1.51 O ATOM 598 CB TRP A 40 -20.570 -17.246 7.528 1.00 25.04 C ATOM 599 CG TRP A 40 -22.055 -17.118 7.669 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.961 -18.127 7.832 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.810 -15.903 7.620 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.233 -17.613 7.876 1.00 4.55 N ATOM 603 CE2 TRP A 40 -24.164 -16.247 7.756 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.468 -14.553 7.478 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -25.176 -15.294 7.745 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -23.476 -13.607 7.473 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.816 -13.982 7.606 1.00 71.21 C ATOM 0 H TRP A 40 -17.962 -17.577 7.943 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.138 -16.002 9.240 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.243 -16.593 6.719 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.339 -18.268 7.226 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.713 -19.175 7.914 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.089 -18.157 7.981 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.435 -14.256 7.374 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -26.213 -15.580 7.843 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -23.224 -12.562 7.365 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -25.582 -13.221 7.599 1.00 71.21 H new ATOM 618 N MET A 41 -20.619 -17.834 10.868 1.00 15.53 N ATOM 619 CA MET A 41 -20.730 -18.834 11.930 1.00 1.22 C ATOM 620 C MET A 41 -21.338 -20.124 11.388 1.00 72.33 C ATOM 621 O MET A 41 -22.432 -20.109 10.818 1.00 71.32 O ATOM 622 CB MET A 41 -21.572 -18.301 13.100 1.00 42.31 C ATOM 623 CG MET A 41 -21.577 -19.227 14.312 1.00 31.15 C ATOM 624 SD MET A 41 -22.484 -18.544 15.716 1.00 32.11 S ATOM 625 CE MET A 41 -22.089 -19.748 16.985 1.00 73.30 C ATOM 0 H MET A 41 -21.171 -16.990 11.020 1.00 15.53 H new ATOM 0 HA MET A 41 -19.727 -19.047 12.299 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.189 -17.325 13.399 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.597 -18.151 12.762 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.019 -20.183 14.031 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.549 -19.428 14.613 1.00 31.15 H new ATOM 0 HE1 MET A 41 -22.577 -19.466 17.918 1.00 73.30 H new ATOM 0 HE2 MET A 41 -22.440 -20.732 16.675 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.010 -19.778 17.135 1.00 73.30 H new ATOM 635 N ASP A 42 -20.623 -21.236 11.557 1.00 51.30 N ATOM 636 CA ASP A 42 -21.103 -22.537 11.093 1.00 11.42 C ATOM 637 C ASP A 42 -22.387 -22.911 11.824 1.00 34.45 C ATOM 638 O ASP A 42 -22.567 -22.568 12.994 1.00 34.15 O ATOM 639 CB ASP A 42 -20.036 -23.622 11.302 1.00 70.44 C ATOM 640 CG ASP A 42 -20.526 -25.005 10.887 1.00 62.11 C ATOM 641 OD1 ASP A 42 -20.722 -25.234 9.674 1.00 14.52 O ATOM 642 OD2 ASP A 42 -20.720 -25.867 11.771 1.00 62.33 O ATOM 0 H ASP A 42 -19.710 -21.262 12.011 1.00 51.30 H new ATOM 0 HA ASP A 42 -21.310 -22.466 10.025 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -19.145 -23.367 10.728 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -19.743 -23.643 12.352 1.00 70.44 H new ATOM 647 N GLY A 43 -23.278 -23.609 11.132 1.00 43.50 N ATOM 648 CA GLY A 43 -24.577 -23.929 11.696 1.00 3.14 C ATOM 649 C GLY A 43 -25.564 -22.794 11.502 1.00 31.24 C ATOM 650 O GLY A 43 -26.608 -22.739 12.162 1.00 3.04 O ATOM 0 H GLY A 43 -23.124 -23.961 10.187 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -24.965 -24.834 11.228 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -24.470 -24.141 12.760 1.00 3.14 H new ATOM 654 N ARG A 44 -25.220 -21.876 10.602 1.00 4.12 N ATOM 655 CA ARG A 44 -26.082 -20.752 10.253 1.00 32.44 C ATOM 656 C ARG A 44 -26.179 -20.657 8.732 1.00 64.22 C ATOM 657 O ARG A 44 -25.160 -20.585 8.047 1.00 52.23 O ATOM 658 CB ARG A 44 -25.513 -19.447 10.832 1.00 0.23 C ATOM 659 CG ARG A 44 -26.482 -18.267 10.782 1.00 25.34 C ATOM 660 CD ARG A 44 -25.776 -16.947 11.076 1.00 30.41 C ATOM 661 NE ARG A 44 -26.707 -15.827 11.269 1.00 65.32 N ATOM 662 CZ ARG A 44 -27.554 -15.360 10.346 1.00 41.11 C ATOM 663 NH1 ARG A 44 -27.712 -15.982 9.181 1.00 33.33 N ATOM 664 NH2 ARG A 44 -28.266 -14.274 10.608 1.00 23.54 N ATOM 0 H ARG A 44 -24.335 -21.891 10.095 1.00 4.12 H new ATOM 0 HA ARG A 44 -27.075 -20.908 10.674 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -25.220 -19.619 11.868 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -24.608 -19.183 10.285 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -26.948 -18.220 9.798 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -27.282 -18.422 11.506 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.163 -17.061 11.970 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -25.100 -16.712 10.254 1.00 30.41 H new ATOM 0 HE ARG A 44 -26.707 -15.369 12.180 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -27.182 -16.830 8.980 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -28.363 -15.611 8.489 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -28.165 -13.803 11.507 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -28.915 -13.909 9.911 1.00 23.54 H new ATOM 678 N SER A 45 -27.396 -20.665 8.209 1.00 20.53 N ATOM 679 CA SER A 45 -27.614 -20.691 6.767 1.00 5.15 C ATOM 680 C SER A 45 -27.276 -19.348 6.117 1.00 72.32 C ATOM 681 O SER A 45 -27.211 -18.311 6.789 1.00 4.10 O ATOM 682 CB SER A 45 -29.063 -21.094 6.478 1.00 43.33 C ATOM 683 OG SER A 45 -29.361 -22.351 7.077 1.00 24.12 O ATOM 0 H SER A 45 -28.252 -20.654 8.763 1.00 20.53 H new ATOM 0 HA SER A 45 -26.942 -21.429 6.329 1.00 5.15 H new ATOM 0 HB2 SER A 45 -29.742 -20.332 6.861 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.223 -21.151 5.401 1.00 43.33 H new ATOM 0 HG SER A 45 -30.291 -22.593 6.884 1.00 24.12 H new ATOM 689 N LEU A 46 -27.042 -19.389 4.806 1.00 30.11 N ATOM 690 CA LEU A 46 -26.666 -18.212 4.037 1.00 41.30 C ATOM 691 C LEU A 46 -27.719 -17.952 2.950 1.00 52.25 C ATOM 692 O LEU A 46 -28.168 -18.892 2.287 1.00 65.25 O ATOM 693 CB LEU A 46 -25.280 -18.445 3.414 1.00 31.30 C ATOM 694 CG LEU A 46 -24.422 -17.203 3.164 1.00 40.51 C ATOM 695 CD1 LEU A 46 -24.286 -16.361 4.425 1.00 14.34 C ATOM 696 CD2 LEU A 46 -23.048 -17.625 2.666 1.00 11.43 C ATOM 0 H LEU A 46 -27.109 -20.242 4.250 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.619 -17.336 4.684 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -24.723 -19.118 4.066 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.416 -18.961 2.464 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.914 -16.592 2.407 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -23.671 -15.486 4.214 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -25.273 -16.039 4.756 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.816 -16.954 5.210 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -22.438 -16.740 2.488 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -22.566 -18.253 3.415 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -23.154 -18.185 1.737 1.00 11.43 H new ATOM 708 N PRO A 47 -28.140 -16.681 2.766 1.00 40.22 N ATOM 709 CA PRO A 47 -29.202 -16.321 1.811 1.00 35.22 C ATOM 710 C PRO A 47 -28.789 -16.480 0.342 1.00 3.22 C ATOM 711 O PRO A 47 -27.592 -16.480 -0.002 1.00 43.43 O ATOM 712 CB PRO A 47 -29.491 -14.847 2.138 1.00 55.23 C ATOM 713 CG PRO A 47 -28.225 -14.338 2.735 1.00 33.22 C ATOM 714 CD PRO A 47 -27.627 -15.499 3.486 1.00 72.34 C ATOM 0 HA PRO A 47 -30.065 -16.978 1.915 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -29.759 -14.288 1.242 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.324 -14.752 2.835 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.545 -13.981 1.962 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -28.418 -13.498 3.403 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.538 -15.465 3.475 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.935 -15.502 4.531 1.00 72.34 H new ATOM 722 N ALA A 48 -29.803 -16.612 -0.516 1.00 24.10 N ATOM 723 CA ALA A 48 -29.606 -16.769 -1.954 1.00 45.31 C ATOM 724 C ALA A 48 -28.703 -15.668 -2.500 1.00 10.30 C ATOM 725 O ALA A 48 -28.927 -14.481 -2.245 1.00 50.42 O ATOM 726 CB ALA A 48 -30.950 -16.771 -2.678 1.00 71.43 C ATOM 0 H ALA A 48 -30.782 -16.613 -0.231 1.00 24.10 H new ATOM 0 HA ALA A 48 -29.117 -17.727 -2.131 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.786 -16.889 -3.749 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.560 -17.597 -2.311 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.465 -15.829 -2.491 1.00 71.43 H new ATOM 732 N GLY A 49 -27.678 -16.072 -3.239 1.00 61.20 N ATOM 733 CA GLY A 49 -26.716 -15.130 -3.775 1.00 60.31 C ATOM 734 C GLY A 49 -25.370 -15.252 -3.090 1.00 71.01 C ATOM 735 O GLY A 49 -24.331 -14.968 -3.697 1.00 13.20 O ATOM 0 H GLY A 49 -27.495 -17.046 -3.478 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.597 -15.301 -4.845 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -27.095 -14.115 -3.655 1.00 60.31 H new ATOM 739 N TRP A 50 -25.377 -15.679 -1.825 1.00 52.24 N ATOM 740 CA TRP A 50 -24.136 -15.841 -1.071 1.00 31.12 C ATOM 741 C TRP A 50 -23.595 -17.260 -1.230 1.00 32.34 C ATOM 742 O TRP A 50 -24.355 -18.198 -1.485 1.00 34.24 O ATOM 743 CB TRP A 50 -24.354 -15.521 0.412 1.00 51.44 C ATOM 744 CG TRP A 50 -24.761 -14.097 0.676 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.806 -13.418 0.118 1.00 43.21 C ATOM 746 CD2 TRP A 50 -24.125 -13.182 1.576 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.849 -12.134 0.605 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.830 -11.966 1.505 1.00 0.44 C ATOM 749 CE3 TRP A 50 -23.026 -13.273 2.434 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -24.471 -10.850 2.259 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -22.670 -12.167 3.182 1.00 43.03 C ATOM 752 CH2 TRP A 50 -23.391 -10.968 3.091 1.00 53.43 C ATOM 0 H TRP A 50 -26.222 -15.917 -1.306 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.403 -15.140 -1.470 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -25.121 -16.187 0.808 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.435 -15.733 0.958 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.498 -13.830 -0.601 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.529 -11.422 0.340 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -22.464 -14.192 2.511 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -25.025 -9.926 2.189 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -21.822 -12.227 3.848 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -23.088 -10.121 3.689 1.00 53.43 H new ATOM 763 N GLU A 51 -22.283 -17.412 -1.084 1.00 31.52 N ATOM 764 CA GLU A 51 -21.637 -18.709 -1.234 1.00 65.54 C ATOM 765 C GLU A 51 -20.809 -19.037 0.007 1.00 44.41 C ATOM 766 O GLU A 51 -20.144 -18.157 0.587 1.00 23.22 O ATOM 767 CB GLU A 51 -20.757 -18.730 -2.498 1.00 21.21 C ATOM 768 CG GLU A 51 -19.498 -17.879 -2.390 1.00 31.04 C ATOM 769 CD GLU A 51 -18.899 -17.513 -3.747 1.00 61.44 C ATOM 770 OE1 GLU A 51 -18.437 -18.423 -4.466 1.00 74.23 O ATOM 771 OE2 GLU A 51 -18.898 -16.315 -4.110 1.00 2.31 O ATOM 0 H GLU A 51 -21.644 -16.649 -0.861 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.408 -19.471 -1.343 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.470 -19.760 -2.712 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.347 -18.381 -3.345 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.731 -16.964 -1.845 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.753 -18.418 -1.805 1.00 31.04 H new ATOM 778 N THR A 52 -20.894 -20.303 0.411 1.00 32.54 N ATOM 779 CA THR A 52 -20.141 -20.850 1.538 1.00 63.35 C ATOM 780 C THR A 52 -18.938 -21.632 1.019 1.00 21.15 C ATOM 781 O THR A 52 -19.072 -22.472 0.125 1.00 10.23 O ATOM 782 CB THR A 52 -21.026 -21.782 2.406 1.00 43.32 C ATOM 783 OG1 THR A 52 -21.819 -22.631 1.563 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.941 -20.987 3.333 1.00 41.04 C ATOM 0 H THR A 52 -21.498 -20.989 -0.043 1.00 32.54 H new ATOM 0 HA THR A 52 -19.806 -20.019 2.158 1.00 63.35 H new ATOM 0 HB THR A 52 -20.362 -22.388 3.022 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.334 -22.810 0.730 1.00 14.24 H new ATOM 0 HG21 THR A 52 -22.545 -21.674 3.925 1.00 41.04 H new ATOM 0 HG22 THR A 52 -21.337 -20.370 3.998 1.00 41.04 H new ATOM 0 HG23 THR A 52 -22.595 -20.348 2.739 1.00 41.04 H new ATOM 792 N VAL A 53 -17.767 -21.363 1.583 1.00 23.41 N ATOM 793 CA VAL A 53 -16.510 -21.887 1.046 1.00 22.34 C ATOM 794 C VAL A 53 -15.526 -22.173 2.181 1.00 44.25 C ATOM 795 O VAL A 53 -15.726 -21.743 3.327 1.00 74.21 O ATOM 796 CB VAL A 53 -15.830 -20.871 0.071 1.00 51.30 C ATOM 797 CG1 VAL A 53 -14.788 -21.561 -0.809 1.00 62.24 C ATOM 798 CG2 VAL A 53 -16.853 -20.116 -0.784 1.00 31.43 C ATOM 0 H VAL A 53 -17.658 -20.783 2.415 1.00 23.41 H new ATOM 0 HA VAL A 53 -16.755 -22.801 0.505 1.00 22.34 H new ATOM 0 HB VAL A 53 -15.320 -20.133 0.690 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.333 -20.829 -1.476 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -14.018 -22.007 -0.180 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -15.269 -22.340 -1.400 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -16.333 -19.422 -1.445 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -17.424 -20.827 -1.381 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -17.530 -19.561 -0.135 1.00 31.43 H new ATOM 808 N GLY A 54 -14.472 -22.907 1.855 1.00 3.04 N ATOM 809 CA GLY A 54 -13.340 -23.021 2.739 1.00 22.23 C ATOM 810 C GLY A 54 -13.335 -24.270 3.578 1.00 33.01 C ATOM 811 O GLY A 54 -13.715 -25.352 3.122 1.00 72.20 O ATOM 0 H GLY A 54 -14.385 -23.429 0.983 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -12.426 -22.992 2.146 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -13.320 -22.154 3.399 1.00 22.23 H new ATOM 815 N GLU A 55 -12.914 -24.093 4.816 1.00 4.43 N ATOM 816 CA GLU A 55 -12.667 -25.174 5.747 1.00 31.03 C ATOM 817 C GLU A 55 -13.242 -24.792 7.107 1.00 24.14 C ATOM 818 O GLU A 55 -12.842 -23.769 7.669 1.00 23.13 O ATOM 819 CB GLU A 55 -11.149 -25.394 5.827 1.00 24.22 C ATOM 820 CG GLU A 55 -10.690 -26.290 6.970 1.00 31.31 C ATOM 821 CD GLU A 55 -9.177 -26.430 7.019 1.00 15.13 C ATOM 822 OE1 GLU A 55 -8.496 -25.484 7.474 1.00 72.41 O ATOM 823 OE2 GLU A 55 -8.656 -27.474 6.587 1.00 54.04 O ATOM 0 H GLU A 55 -12.730 -23.170 5.210 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.144 -26.098 5.421 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.809 -25.827 4.886 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.661 -24.424 5.926 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -11.046 -25.881 7.915 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -11.141 -27.276 6.860 1.00 31.31 H new ATOM 830 N PRO A 56 -14.209 -25.567 7.646 1.00 15.13 N ATOM 831 CA PRO A 56 -14.854 -25.220 8.913 1.00 1.52 C ATOM 832 C PRO A 56 -13.850 -25.221 10.065 1.00 72.40 C ATOM 833 O PRO A 56 -13.287 -26.261 10.421 1.00 53.12 O ATOM 834 CB PRO A 56 -15.921 -26.307 9.092 1.00 31.21 C ATOM 835 CG PRO A 56 -15.442 -27.451 8.269 1.00 3.01 C ATOM 836 CD PRO A 56 -14.749 -26.830 7.092 1.00 64.45 C ATOM 0 HA PRO A 56 -15.280 -24.217 8.908 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.025 -26.590 10.139 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -16.899 -25.961 8.757 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -14.761 -28.086 8.836 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -16.273 -28.080 7.949 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -13.957 -27.472 6.706 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.440 -26.646 6.269 1.00 64.45 H new ATOM 844 N ALA A 57 -13.646 -24.050 10.647 1.00 33.55 N ATOM 845 CA ALA A 57 -12.600 -23.846 11.644 1.00 55.44 C ATOM 846 C ALA A 57 -12.994 -22.709 12.568 1.00 31.23 C ATOM 847 O ALA A 57 -13.777 -21.848 12.174 1.00 52.10 O ATOM 848 CB ALA A 57 -11.271 -23.542 10.960 1.00 52.45 C ATOM 0 H ALA A 57 -14.197 -23.216 10.445 1.00 33.55 H new ATOM 0 HA ALA A 57 -12.482 -24.756 12.232 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -10.499 -23.392 11.715 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -10.993 -24.378 10.318 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.370 -22.639 10.358 1.00 52.45 H new ATOM 854 N THR A 58 -12.461 -22.706 13.788 1.00 61.34 N ATOM 855 CA THR A 58 -12.795 -21.660 14.747 1.00 41.54 C ATOM 856 C THR A 58 -12.490 -20.289 14.143 1.00 53.23 C ATOM 857 O THR A 58 -11.622 -20.172 13.276 1.00 72.34 O ATOM 858 CB THR A 58 -12.038 -21.833 16.091 1.00 32.00 C ATOM 859 OG1 THR A 58 -12.468 -20.839 17.029 1.00 12.31 O ATOM 860 CG2 THR A 58 -10.528 -21.734 15.903 1.00 4.31 C ATOM 0 H THR A 58 -11.805 -23.407 14.131 1.00 61.34 H new ATOM 0 HA THR A 58 -13.860 -21.739 14.964 1.00 41.54 H new ATOM 0 HB THR A 58 -12.269 -22.827 16.473 1.00 32.00 H new ATOM 0 HG1 THR A 58 -11.986 -20.957 17.874 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.032 -21.860 16.866 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.195 -22.514 15.218 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.276 -20.757 15.490 1.00 4.31 H new ATOM 868 N LYS A 59 -13.200 -19.269 14.616 1.00 20.01 N ATOM 869 CA LYS A 59 -13.152 -17.925 14.030 1.00 44.32 C ATOM 870 C LYS A 59 -11.719 -17.502 13.690 1.00 75.31 C ATOM 871 O LYS A 59 -11.441 -17.056 12.569 1.00 55.41 O ATOM 872 CB LYS A 59 -13.775 -16.922 15.009 1.00 22.43 C ATOM 873 CG LYS A 59 -13.794 -15.474 14.520 1.00 75.31 C ATOM 874 CD LYS A 59 -14.732 -15.274 13.335 1.00 22.03 C ATOM 875 CE LYS A 59 -14.850 -13.803 12.938 1.00 60.14 C ATOM 876 NZ LYS A 59 -15.506 -12.975 13.985 1.00 44.44 N ATOM 0 H LYS A 59 -13.827 -19.347 15.417 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.718 -17.941 13.099 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.798 -17.232 15.222 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.226 -16.966 15.950 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.101 -14.821 15.337 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.785 -15.176 14.236 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.369 -15.851 12.484 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.719 -15.662 13.585 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.856 -13.405 12.736 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.418 -13.726 12.011 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.484 -11.975 13.701 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -16.493 -13.280 14.101 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -15.000 -13.090 14.886 1.00 44.44 H new ATOM 890 N GLN A 60 -10.818 -17.677 14.652 1.00 12.52 N ATOM 891 CA GLN A 60 -9.418 -17.293 14.485 1.00 60.11 C ATOM 892 C GLN A 60 -8.786 -18.025 13.302 1.00 73.42 C ATOM 893 O GLN A 60 -8.192 -17.404 12.424 1.00 12.21 O ATOM 894 CB GLN A 60 -8.625 -17.598 15.759 1.00 71.20 C ATOM 895 CG GLN A 60 -7.177 -17.118 15.706 1.00 21.32 C ATOM 896 CD GLN A 60 -6.352 -17.550 16.906 1.00 4.32 C ATOM 897 OE1 GLN A 60 -6.993 -17.712 18.056 1.00 72.30 O flip ATOM 898 NE2 GLN A 60 -5.141 -17.735 16.800 1.00 42.31 N flip ATOM 0 H GLN A 60 -11.034 -18.085 15.562 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.388 -16.221 14.289 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.123 -17.130 16.608 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -8.636 -18.674 15.936 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -6.709 -17.498 14.798 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.165 -16.030 15.639 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -4.681 -17.601 15.899 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -4.596 -18.023 17.613 1.00 42.31 H new ATOM 907 N GLN A 61 -8.933 -19.345 13.275 1.00 11.51 N ATOM 908 CA GLN A 61 -8.320 -20.163 12.234 1.00 25.23 C ATOM 909 C GLN A 61 -8.997 -19.911 10.893 1.00 25.12 C ATOM 910 O GLN A 61 -8.366 -19.996 9.839 1.00 72.45 O ATOM 911 CB GLN A 61 -8.401 -21.653 12.595 1.00 32.13 C ATOM 912 CG GLN A 61 -7.685 -22.014 13.894 1.00 4.10 C ATOM 913 CD GLN A 61 -6.201 -21.684 13.866 1.00 71.32 C ATOM 914 OE1 GLN A 61 -5.563 -21.711 12.816 1.00 3.32 O ATOM 915 NE2 GLN A 61 -5.643 -21.370 15.025 1.00 15.31 N ATOM 0 H GLN A 61 -9.472 -19.872 13.962 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.269 -19.883 12.156 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -9.449 -21.940 12.677 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -7.973 -22.238 11.781 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -8.154 -21.482 14.721 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -7.811 -23.079 14.088 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.206 -21.358 15.876 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -4.650 -21.140 15.067 1.00 15.31 H new ATOM 924 N CYS A 62 -10.282 -19.579 10.948 1.00 12.43 N ATOM 925 CA CYS A 62 -11.068 -19.334 9.750 1.00 63.15 C ATOM 926 C CYS A 62 -10.549 -18.090 9.023 1.00 45.14 C ATOM 927 O CYS A 62 -10.241 -18.143 7.827 1.00 24.33 O ATOM 928 CB CYS A 62 -12.550 -19.182 10.121 1.00 43.44 C ATOM 929 SG CYS A 62 -13.686 -19.263 8.717 1.00 5.43 S ATOM 0 H CYS A 62 -10.803 -19.473 11.819 1.00 12.43 H new ATOM 0 HA CYS A 62 -10.970 -20.183 9.074 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -12.815 -19.964 10.833 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -12.688 -18.228 10.630 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.046 -20.497 8.521 1.00 5.43 H new ATOM 935 N LEU A 63 -10.430 -16.976 9.753 1.00 32.10 N ATOM 936 CA LEU A 63 -9.877 -15.746 9.177 1.00 54.21 C ATOM 937 C LEU A 63 -8.391 -15.923 8.871 1.00 45.12 C ATOM 938 O LEU A 63 -7.871 -15.367 7.901 1.00 0.30 O ATOM 939 CB LEU A 63 -10.121 -14.532 10.103 1.00 51.43 C ATOM 940 CG LEU A 63 -9.659 -14.670 11.572 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.164 -14.393 11.723 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.468 -13.747 12.481 1.00 43.32 C ATOM 0 H LEU A 63 -10.706 -16.900 10.732 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.396 -15.545 8.240 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.619 -13.668 9.669 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.189 -14.314 10.102 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.836 -15.702 11.874 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.878 -14.500 12.769 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.600 -15.103 11.118 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.946 -13.378 11.389 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -10.127 -13.860 13.510 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.331 -12.713 12.164 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.524 -14.009 12.418 1.00 43.32 H new ATOM 954 N GLN A 64 -7.718 -16.716 9.698 1.00 23.35 N ATOM 955 CA GLN A 64 -6.289 -16.959 9.546 1.00 61.05 C ATOM 956 C GLN A 64 -5.996 -17.652 8.218 1.00 42.03 C ATOM 957 O GLN A 64 -5.056 -17.289 7.519 1.00 43.03 O ATOM 958 CB GLN A 64 -5.774 -17.818 10.710 1.00 61.12 C ATOM 959 CG GLN A 64 -4.256 -17.946 10.772 1.00 33.54 C ATOM 960 CD GLN A 64 -3.796 -18.874 11.881 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.590 -20.064 11.662 1.00 25.14 O ATOM 962 NE2 GLN A 64 -3.658 -18.343 13.085 1.00 60.21 N ATOM 0 H GLN A 64 -8.144 -17.204 10.486 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.775 -15.998 9.555 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.129 -17.390 11.647 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.208 -18.815 10.630 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -3.887 -18.317 9.816 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.817 -16.960 10.923 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -3.838 -17.349 13.228 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -3.371 -18.927 13.870 1.00 60.21 H new ATOM 971 N ARG A 65 -6.829 -18.630 7.869 1.00 40.34 N ATOM 972 CA ARG A 65 -6.623 -19.453 6.692 1.00 13.52 C ATOM 973 C ARG A 65 -6.537 -18.608 5.423 1.00 14.24 C ATOM 974 O ARG A 65 -5.576 -18.708 4.663 1.00 44.41 O ATOM 975 CB ARG A 65 -7.771 -20.458 6.601 1.00 2.22 C ATOM 976 CG ARG A 65 -7.998 -21.029 5.216 1.00 23.32 C ATOM 977 CD ARG A 65 -9.085 -22.090 5.227 1.00 54.45 C ATOM 978 NE ARG A 65 -8.546 -23.448 5.366 1.00 65.22 N ATOM 979 CZ ARG A 65 -8.034 -24.164 4.358 1.00 14.34 C ATOM 980 NH1 ARG A 65 -7.938 -23.632 3.143 1.00 74.43 N ATOM 981 NH2 ARG A 65 -7.614 -25.407 4.569 1.00 73.25 N ATOM 0 H ARG A 65 -7.666 -18.870 8.400 1.00 40.34 H new ATOM 0 HA ARG A 65 -5.673 -19.979 6.782 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -7.574 -21.279 7.291 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -8.688 -19.974 6.935 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.276 -20.228 4.531 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.070 -21.460 4.842 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -9.774 -21.891 6.048 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -9.661 -22.024 4.304 1.00 54.45 H new ATOM 0 HE ARG A 65 -8.563 -23.874 6.292 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -8.255 -22.677 2.978 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -7.547 -24.179 2.376 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -7.682 -25.817 5.501 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -7.224 -25.951 3.799 1.00 73.25 H new ATOM 995 N ILE A 66 -7.541 -17.769 5.211 1.00 5.32 N ATOM 996 CA ILE A 66 -7.619 -16.951 4.002 1.00 74.32 C ATOM 997 C ILE A 66 -6.506 -15.902 3.961 1.00 34.13 C ATOM 998 O ILE A 66 -5.980 -15.586 2.889 1.00 70.50 O ATOM 999 CB ILE A 66 -9.008 -16.282 3.867 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.416 -15.597 5.185 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.045 -17.314 3.442 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -10.762 -14.901 5.130 1.00 42.21 C ATOM 0 H ILE A 66 -8.316 -17.634 5.860 1.00 5.32 H new ATOM 0 HA ILE A 66 -7.480 -17.617 3.151 1.00 74.32 H new ATOM 0 HB ILE A 66 -8.952 -15.512 3.098 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.437 -16.344 5.979 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.652 -14.867 5.454 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.019 -16.834 3.350 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -9.759 -17.743 2.482 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.100 -18.105 4.190 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -10.975 -14.444 6.097 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.741 -14.129 4.361 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.538 -15.629 4.893 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.140 -15.380 5.128 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.008 -14.464 5.246 1.00 71.01 C ATOM 1016 C GLU A 67 -3.704 -15.193 4.923 1.00 51.43 C ATOM 1017 O GLU A 67 -2.773 -14.608 4.368 1.00 55.34 O ATOM 1018 CB GLU A 67 -4.980 -13.835 6.638 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.146 -12.881 6.879 1.00 14.42 C ATOM 1020 CD GLU A 67 -6.156 -11.694 5.918 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.740 -11.812 4.816 1.00 43.23 O ATOM 1022 OE2 GLU A 67 -5.580 -10.640 6.261 1.00 24.22 O ATOM 0 H GLU A 67 -6.613 -15.577 6.010 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.121 -13.656 4.523 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.001 -14.625 7.389 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.042 -13.296 6.769 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.083 -13.429 6.780 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.100 -12.511 7.903 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.657 -16.481 5.253 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.493 -17.326 4.969 1.00 35.25 C ATOM 1031 C GLN A 68 -2.416 -17.711 3.485 1.00 3.20 C ATOM 1032 O GLN A 68 -1.518 -18.459 3.089 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.539 -18.616 5.812 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.275 -18.426 7.304 1.00 72.43 C ATOM 1035 CD GLN A 68 -0.821 -18.116 7.636 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -0.104 -17.482 6.862 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -0.371 -18.583 8.792 1.00 13.54 N ATOM 0 H GLN A 68 -4.419 -16.970 5.723 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.610 -16.742 5.227 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.519 -19.077 5.688 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.804 -19.317 5.415 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -2.903 -17.616 7.674 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.574 -19.330 7.835 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -0.994 -19.104 9.409 1.00 13.54 H new ATOM 0 HE22 GLN A 68 0.598 -18.421 9.065 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.365 -17.249 2.667 1.00 70.13 N ATOM 1047 CA LEU A 69 -3.370 -17.611 1.244 1.00 22.31 C ATOM 1048 C LEU A 69 -2.875 -16.479 0.343 1.00 33.43 C ATOM 1049 O LEU A 69 -1.825 -16.593 -0.289 1.00 63.24 O ATOM 1050 CB LEU A 69 -4.779 -18.022 0.810 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.339 -19.265 1.505 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -6.751 -19.544 1.019 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.432 -20.475 1.273 1.00 42.22 C ATOM 0 H LEU A 69 -4.127 -16.635 2.956 1.00 70.13 H new ATOM 0 HA LEU A 69 -2.679 -18.447 1.132 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -5.456 -17.187 0.993 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -4.773 -18.198 -0.266 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.373 -19.077 2.578 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.140 -20.431 1.520 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.389 -18.690 1.246 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -6.739 -19.712 -0.058 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.851 -21.346 1.777 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -4.358 -20.675 0.204 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.439 -20.268 1.673 1.00 42.22 H new ATOM 1065 N TRP A 70 -3.646 -15.397 0.275 1.00 4.00 N ATOM 1066 CA TRP A 70 -3.315 -14.262 -0.594 1.00 33.32 C ATOM 1067 C TRP A 70 -2.374 -13.302 0.116 1.00 14.11 C ATOM 1068 O TRP A 70 -1.293 -12.970 -0.378 1.00 5.44 O ATOM 1069 CB TRP A 70 -4.589 -13.533 -1.045 1.00 44.12 C ATOM 1070 CG TRP A 70 -4.333 -12.443 -2.049 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -4.036 -11.135 -1.784 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -4.350 -12.565 -3.478 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -3.865 -10.444 -2.956 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -4.053 -11.297 -4.009 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -4.588 -13.625 -4.359 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -3.985 -11.058 -5.379 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -4.521 -13.387 -5.720 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -4.221 -12.113 -6.218 1.00 22.44 C ATOM 0 H TRP A 70 -4.506 -15.278 0.810 1.00 4.00 H new ATOM 0 HA TRP A 70 -2.810 -14.647 -1.480 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -5.280 -14.258 -1.476 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -5.081 -13.104 -0.172 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -3.949 -10.708 -0.796 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -3.635 -9.453 -3.031 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -4.820 -14.611 -3.984 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -3.754 -10.076 -5.765 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -4.703 -14.197 -6.410 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -4.175 -11.960 -7.286 1.00 22.44 H new ATOM 1089 N THR A 71 -2.817 -12.866 1.282 1.00 54.12 N ATOM 1090 CA THR A 71 -2.096 -11.909 2.102 1.00 14.01 C ATOM 1091 C THR A 71 -0.829 -12.542 2.698 1.00 15.51 C ATOM 1092 O THR A 71 0.023 -11.847 3.251 1.00 20.13 O ATOM 1093 CB THR A 71 -3.026 -11.386 3.226 1.00 13.44 C ATOM 1094 OG1 THR A 71 -4.396 -11.463 2.785 1.00 21.02 O ATOM 1095 CG2 THR A 71 -2.701 -9.938 3.587 1.00 55.35 C ATOM 0 H THR A 71 -3.700 -13.171 1.691 1.00 54.12 H new ATOM 0 HA THR A 71 -1.786 -11.072 1.476 1.00 14.01 H new ATOM 0 HB THR A 71 -2.873 -12.005 4.110 1.00 13.44 H new ATOM 0 HG1 THR A 71 -4.981 -11.605 3.558 1.00 21.02 H new ATOM 0 HG21 THR A 71 -3.371 -9.601 4.378 1.00 55.35 H new ATOM 0 HG22 THR A 71 -1.669 -9.872 3.932 1.00 55.35 H new ATOM 0 HG23 THR A 71 -2.831 -9.306 2.708 1.00 55.35 H new ATOM 1103 N ASP A 72 -0.733 -13.873 2.575 1.00 23.54 N ATOM 1104 CA ASP A 72 0.334 -14.673 3.195 1.00 73.31 C ATOM 1105 C ASP A 72 1.725 -14.083 2.967 1.00 64.32 C ATOM 1106 O ASP A 72 2.635 -14.308 3.769 1.00 42.51 O ATOM 1107 CB ASP A 72 0.309 -16.110 2.657 1.00 14.44 C ATOM 1108 CG ASP A 72 1.157 -16.310 1.406 1.00 72.24 C ATOM 1109 OD1 ASP A 72 0.822 -15.742 0.347 1.00 33.45 O ATOM 1110 OD2 ASP A 72 2.155 -17.062 1.474 1.00 35.04 O ATOM 0 H ASP A 72 -1.398 -14.430 2.038 1.00 23.54 H new ATOM 0 HA ASP A 72 0.138 -14.666 4.267 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.661 -16.786 3.436 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -0.721 -16.388 2.435 1.00 14.44 H new ATOM 1115 N MET A 73 1.892 -13.365 1.857 1.00 3.33 N ATOM 1116 CA MET A 73 3.166 -12.727 1.538 1.00 42.30 C ATOM 1117 C MET A 73 3.442 -11.587 2.514 1.00 21.21 C ATOM 1118 O MET A 73 3.308 -10.407 2.176 1.00 61.04 O ATOM 1119 CB MET A 73 3.175 -12.213 0.089 1.00 75.02 C ATOM 1120 CG MET A 73 3.032 -13.312 -0.958 1.00 60.21 C ATOM 1121 SD MET A 73 3.071 -12.675 -2.649 1.00 34.12 S ATOM 1122 CE MET A 73 4.704 -11.935 -2.702 1.00 71.41 C ATOM 0 H MET A 73 1.160 -13.211 1.164 1.00 3.33 H new ATOM 0 HA MET A 73 3.957 -13.470 1.635 1.00 42.30 H new ATOM 0 HB2 MET A 73 2.363 -11.497 -0.037 1.00 75.02 H new ATOM 0 HB3 MET A 73 4.106 -11.674 -0.089 1.00 75.02 H new ATOM 0 HG2 MET A 73 3.835 -14.038 -0.829 1.00 60.21 H new ATOM 0 HG3 MET A 73 2.094 -13.843 -0.796 1.00 60.21 H new ATOM 0 HE1 MET A 73 5.018 -11.821 -3.739 1.00 71.41 H new ATOM 0 HE2 MET A 73 4.676 -10.957 -2.222 1.00 71.41 H new ATOM 0 HE3 MET A 73 5.411 -12.577 -2.177 1.00 71.41 H new ATOM 1132 N VAL A 74 3.810 -11.961 3.732 1.00 33.41 N ATOM 1133 CA VAL A 74 4.037 -11.012 4.809 1.00 45.22 C ATOM 1134 C VAL A 74 5.541 -10.810 5.031 1.00 1.21 C ATOM 1135 O VAL A 74 6.309 -11.778 5.035 1.00 54.40 O ATOM 1136 CB VAL A 74 3.369 -11.498 6.129 1.00 10.10 C ATOM 1137 CG1 VAL A 74 3.908 -12.865 6.542 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.559 -10.478 7.251 1.00 71.12 C ATOM 0 H VAL A 74 3.959 -12.934 4.000 1.00 33.41 H new ATOM 0 HA VAL A 74 3.586 -10.062 4.522 1.00 45.22 H new ATOM 0 HB VAL A 74 2.299 -11.597 5.944 1.00 10.10 H new ATOM 0 HG11 VAL A 74 3.426 -13.182 7.467 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.699 -13.591 5.756 1.00 23.42 H new ATOM 0 HG13 VAL A 74 4.985 -12.799 6.698 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.082 -10.844 8.160 1.00 71.12 H new ATOM 0 HG22 VAL A 74 4.624 -10.332 7.433 1.00 71.12 H new ATOM 0 HG23 VAL A 74 3.107 -9.530 6.961 1.00 71.12 H new ATOM 1148 N PRO A 75 5.982 -9.549 5.173 1.00 55.42 N ATOM 1149 CA PRO A 75 7.380 -9.225 5.467 1.00 60.35 C ATOM 1150 C PRO A 75 7.701 -9.402 6.956 1.00 72.13 C ATOM 1151 O PRO A 75 6.998 -10.126 7.666 1.00 1.32 O ATOM 1152 CB PRO A 75 7.486 -7.755 5.043 1.00 71.04 C ATOM 1153 CG PRO A 75 6.116 -7.197 5.239 1.00 45.31 C ATOM 1154 CD PRO A 75 5.149 -8.338 5.036 1.00 22.00 C ATOM 0 HA PRO A 75 8.086 -9.875 4.951 1.00 60.35 H new ATOM 0 HB2 PRO A 75 8.220 -7.222 5.648 1.00 71.04 H new ATOM 0 HB3 PRO A 75 7.804 -7.666 4.004 1.00 71.04 H new ATOM 0 HG2 PRO A 75 6.010 -6.773 6.238 1.00 45.31 H new ATOM 0 HG3 PRO A 75 5.920 -6.393 4.529 1.00 45.31 H new ATOM 0 HD2 PRO A 75 4.350 -8.319 5.777 1.00 22.00 H new ATOM 0 HD3 PRO A 75 4.676 -8.289 4.055 1.00 22.00 H new ATOM 1162 N ALA A 76 8.752 -8.730 7.424 1.00 51.25 N ATOM 1163 CA ALA A 76 9.182 -8.812 8.821 1.00 24.45 C ATOM 1164 C ALA A 76 8.054 -8.425 9.775 1.00 43.13 C ATOM 1165 O ALA A 76 8.092 -8.751 10.963 1.00 43.44 O ATOM 1166 CB ALA A 76 10.383 -7.908 9.052 1.00 60.32 C ATOM 0 H ALA A 76 9.328 -8.115 6.849 1.00 51.25 H new ATOM 0 HA ALA A 76 9.460 -9.846 9.024 1.00 24.45 H new ATOM 0 HB1 ALA A 76 10.695 -7.976 10.094 1.00 60.32 H new ATOM 0 HB2 ALA A 76 11.204 -8.221 8.406 1.00 60.32 H new ATOM 0 HB3 ALA A 76 10.113 -6.878 8.821 1.00 60.32 H new ATOM 1172 N SER A 77 7.055 -7.729 9.243 1.00 71.53 N ATOM 1173 CA SER A 77 5.914 -7.274 10.024 1.00 24.45 C ATOM 1174 C SER A 77 5.247 -8.433 10.775 1.00 52.41 C ATOM 1175 O SER A 77 4.631 -8.226 11.819 1.00 1.13 O ATOM 1176 CB SER A 77 4.911 -6.570 9.105 1.00 43.23 C ATOM 1177 OG SER A 77 4.442 -7.444 8.093 1.00 75.44 O ATOM 0 H SER A 77 7.015 -7.465 8.259 1.00 71.53 H new ATOM 0 HA SER A 77 6.269 -6.568 10.775 1.00 24.45 H new ATOM 0 HB2 SER A 77 4.069 -6.205 9.693 1.00 43.23 H new ATOM 0 HB3 SER A 77 5.381 -5.699 8.648 1.00 43.23 H new ATOM 0 HG SER A 77 3.802 -6.970 7.522 1.00 75.44 H new ATOM 1183 N VAL A 78 5.383 -9.654 10.251 1.00 50.43 N ATOM 1184 CA VAL A 78 4.852 -10.842 10.926 1.00 1.34 C ATOM 1185 C VAL A 78 5.464 -10.981 12.324 1.00 72.15 C ATOM 1186 O VAL A 78 4.794 -11.383 13.277 1.00 61.33 O ATOM 1187 CB VAL A 78 5.110 -12.138 10.107 1.00 12.41 C ATOM 1188 CG1 VAL A 78 6.605 -12.389 9.914 1.00 13.13 C ATOM 1189 CG2 VAL A 78 4.431 -13.344 10.760 1.00 22.14 C ATOM 0 H VAL A 78 5.853 -9.846 9.367 1.00 50.43 H new ATOM 0 HA VAL A 78 3.774 -10.710 11.013 1.00 1.34 H new ATOM 0 HB VAL A 78 4.670 -11.996 9.120 1.00 12.41 H new ATOM 0 HG11 VAL A 78 6.749 -13.303 9.337 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.049 -11.549 9.380 1.00 13.13 H new ATOM 0 HG13 VAL A 78 7.085 -12.494 10.887 1.00 13.13 H new ATOM 0 HG21 VAL A 78 4.627 -14.237 10.167 1.00 22.14 H new ATOM 0 HG22 VAL A 78 4.825 -13.483 11.767 1.00 22.14 H new ATOM 0 HG23 VAL A 78 3.356 -13.172 10.812 1.00 22.14 H new ATOM 1199 N ARG A 79 6.738 -10.620 12.435 1.00 61.45 N ATOM 1200 CA ARG A 79 7.449 -10.647 13.710 1.00 14.22 C ATOM 1201 C ARG A 79 6.983 -9.489 14.593 1.00 51.30 C ATOM 1202 O ARG A 79 6.844 -9.633 15.809 1.00 43.03 O ATOM 1203 CB ARG A 79 8.962 -10.577 13.455 1.00 63.44 C ATOM 1204 CG ARG A 79 9.500 -11.797 12.707 1.00 63.40 C ATOM 1205 CD ARG A 79 10.832 -11.518 12.015 1.00 74.44 C ATOM 1206 NE ARG A 79 11.874 -11.070 12.943 1.00 53.13 N ATOM 1207 CZ ARG A 79 13.083 -11.633 13.037 1.00 42.11 C ATOM 1208 NH1 ARG A 79 13.352 -12.753 12.377 1.00 73.33 N ATOM 1209 NH2 ARG A 79 14.009 -11.092 13.815 1.00 64.44 N ATOM 0 H ARG A 79 7.305 -10.302 11.649 1.00 61.45 H new ATOM 0 HA ARG A 79 7.230 -11.578 14.233 1.00 14.22 H new ATOM 0 HB2 ARG A 79 9.187 -9.678 12.881 1.00 63.44 H new ATOM 0 HB3 ARG A 79 9.482 -10.485 14.409 1.00 63.44 H new ATOM 0 HG2 ARG A 79 9.624 -12.623 13.407 1.00 63.40 H new ATOM 0 HG3 ARG A 79 8.768 -12.116 11.965 1.00 63.40 H new ATOM 0 HD2 ARG A 79 11.169 -12.422 11.508 1.00 74.44 H new ATOM 0 HD3 ARG A 79 10.685 -10.758 11.248 1.00 74.44 H new ATOM 0 HE ARG A 79 11.664 -10.281 13.554 1.00 53.13 H new ATOM 0 HH11 ARG A 79 12.635 -13.187 11.796 1.00 73.33 H new ATOM 0 HH12 ARG A 79 14.276 -13.179 12.451 1.00 73.33 H new ATOM 0 HH21 ARG A 79 13.800 -10.245 14.343 1.00 64.44 H new ATOM 0 HH22 ARG A 79 14.931 -11.523 13.886 1.00 64.44 H new ATOM 1223 N GLU A 80 6.721 -8.348 13.960 1.00 45.44 N ATOM 1224 CA GLU A 80 6.163 -7.182 14.646 1.00 22.12 C ATOM 1225 C GLU A 80 4.742 -7.472 15.133 1.00 4.33 C ATOM 1226 O GLU A 80 4.258 -6.860 16.090 1.00 13.03 O ATOM 1227 CB GLU A 80 6.146 -5.974 13.696 1.00 62.53 C ATOM 1228 CG GLU A 80 7.528 -5.449 13.316 1.00 73.11 C ATOM 1229 CD GLU A 80 8.229 -4.757 14.475 1.00 33.40 C ATOM 1230 OE1 GLU A 80 7.842 -3.615 14.809 1.00 33.42 O ATOM 1231 OE2 GLU A 80 9.170 -5.341 15.054 1.00 51.44 O ATOM 0 H GLU A 80 6.888 -8.204 12.964 1.00 45.44 H new ATOM 0 HA GLU A 80 6.790 -6.957 15.509 1.00 22.12 H new ATOM 0 HB2 GLU A 80 5.613 -6.251 12.786 1.00 62.53 H new ATOM 0 HB3 GLU A 80 5.581 -5.168 14.164 1.00 62.53 H new ATOM 0 HG2 GLU A 80 8.144 -6.277 12.966 1.00 73.11 H new ATOM 0 HG3 GLU A 80 7.431 -4.750 12.485 1.00 73.11 H new ATOM 1238 N HIS A 81 4.079 -8.401 14.452 1.00 54.53 N ATOM 1239 CA HIS A 81 2.708 -8.794 14.779 1.00 0.23 C ATOM 1240 C HIS A 81 2.669 -9.565 16.093 1.00 2.25 C ATOM 1241 O HIS A 81 1.658 -9.569 16.798 1.00 34.22 O ATOM 1242 CB HIS A 81 2.136 -9.676 13.660 1.00 32.20 C ATOM 1243 CG HIS A 81 0.654 -9.906 13.749 1.00 2.42 C ATOM 1244 ND1 HIS A 81 0.086 -10.926 14.486 1.00 13.53 N ATOM 1245 CD2 HIS A 81 -0.380 -9.245 13.175 1.00 0.35 C ATOM 1246 CE1 HIS A 81 -1.226 -10.880 14.359 1.00 43.44 C ATOM 1247 NE2 HIS A 81 -1.534 -9.870 13.571 1.00 2.53 N ATOM 0 H HIS A 81 4.475 -8.904 13.658 1.00 54.53 H new ATOM 0 HA HIS A 81 2.108 -7.890 14.879 1.00 0.23 H new ATOM 0 HB2 HIS A 81 2.363 -9.215 12.699 1.00 32.20 H new ATOM 0 HB3 HIS A 81 2.643 -10.641 13.679 1.00 32.20 H new ATOM 0 HD2 HIS A 81 -0.308 -8.385 12.526 1.00 0.35 H new ATOM 0 HE1 HIS A 81 -1.929 -11.556 14.823 1.00 43.44 H new ATOM 0 HE2 HIS A 81 -2.479 -9.597 13.299 1.00 2.53 H new ATOM 1256 N LEU A 82 3.777 -10.221 16.409 1.00 52.02 N ATOM 1257 CA LEU A 82 3.850 -11.101 17.568 1.00 15.11 C ATOM 1258 C LEU A 82 3.855 -10.292 18.865 1.00 65.10 C ATOM 1259 O LEU A 82 4.389 -9.178 18.914 1.00 73.43 O ATOM 1260 CB LEU A 82 5.105 -11.984 17.481 1.00 12.10 C ATOM 1261 CG LEU A 82 5.104 -13.218 18.397 1.00 72.24 C ATOM 1262 CD1 LEU A 82 3.931 -14.136 18.051 1.00 41.43 C ATOM 1263 CD2 LEU A 82 6.433 -13.965 18.294 1.00 53.35 C ATOM 0 H LEU A 82 4.644 -10.160 15.875 1.00 52.02 H new ATOM 0 HA LEU A 82 2.968 -11.741 17.572 1.00 15.11 H new ATOM 0 HB2 LEU A 82 5.224 -12.317 16.450 1.00 12.10 H new ATOM 0 HB3 LEU A 82 5.976 -11.374 17.721 1.00 12.10 H new ATOM 0 HG LEU A 82 4.984 -12.886 19.428 1.00 72.24 H new ATOM 0 HD11 LEU A 82 3.943 -15.006 18.708 1.00 41.43 H new ATOM 0 HD12 LEU A 82 2.994 -13.595 18.183 1.00 41.43 H new ATOM 0 HD13 LEU A 82 4.018 -14.463 17.015 1.00 41.43 H new ATOM 0 HD21 LEU A 82 6.413 -14.835 18.950 1.00 53.35 H new ATOM 0 HD22 LEU A 82 6.589 -14.289 17.265 1.00 53.35 H new ATOM 0 HD23 LEU A 82 7.246 -13.304 18.594 1.00 53.35 H new ATOM 1275 N ASN A 83 3.251 -10.851 19.908 1.00 23.21 N ATOM 1276 CA ASN A 83 3.210 -10.201 21.216 1.00 34.30 C ATOM 1277 C ASN A 83 4.543 -10.406 21.935 1.00 64.54 C ATOM 1278 O ASN A 83 5.096 -11.508 21.930 1.00 24.35 O ATOM 1279 CB ASN A 83 2.052 -10.761 22.059 1.00 5.33 C ATOM 1280 CG ASN A 83 1.798 -9.965 23.337 1.00 13.22 C ATOM 1281 OD1 ASN A 83 2.705 -9.352 23.902 1.00 20.11 O ATOM 1282 ND2 ASN A 83 0.560 -9.981 23.807 1.00 42.20 N ATOM 0 H ASN A 83 2.781 -11.756 19.874 1.00 23.21 H new ATOM 0 HA ASN A 83 3.043 -9.133 21.076 1.00 34.30 H new ATOM 0 HB2 ASN A 83 1.143 -10.769 21.457 1.00 5.33 H new ATOM 0 HB3 ASN A 83 2.269 -11.796 22.321 1.00 5.33 H new ATOM 0 HD21 ASN A 83 0.333 -9.475 24.663 1.00 42.20 H new ATOM 0 HD22 ASN A 83 -0.166 -10.499 23.313 1.00 42.20 H new ATOM 1289 N GLN A 84 5.051 -9.344 22.556 1.00 54.12 N ATOM 1290 CA GLN A 84 6.359 -9.380 23.213 1.00 32.44 C ATOM 1291 C GLN A 84 6.303 -10.143 24.536 1.00 35.52 C ATOM 1292 O GLN A 84 7.340 -10.499 25.099 1.00 62.41 O ATOM 1293 CB GLN A 84 6.881 -7.957 23.450 1.00 74.55 C ATOM 1294 CG GLN A 84 5.990 -7.104 24.348 1.00 74.02 C ATOM 1295 CD GLN A 84 6.547 -5.707 24.578 1.00 54.40 C ATOM 1296 OE1 GLN A 84 7.241 -5.170 23.586 1.00 71.43 O flip ATOM 1297 NE2 GLN A 84 6.343 -5.108 25.635 1.00 3.04 N flip ATOM 0 H GLN A 84 4.576 -8.444 22.619 1.00 54.12 H new ATOM 0 HA GLN A 84 7.044 -9.906 22.549 1.00 32.44 H new ATOM 0 HB2 GLN A 84 7.875 -8.016 23.894 1.00 74.55 H new ATOM 0 HB3 GLN A 84 6.991 -7.458 22.487 1.00 74.55 H new ATOM 0 HG2 GLN A 84 4.999 -7.026 23.900 1.00 74.02 H new ATOM 0 HG3 GLN A 84 5.867 -7.603 25.309 1.00 74.02 H new ATOM 0 HE21 GLN A 84 5.804 -5.553 26.378 1.00 3.04 H new ATOM 0 HE22 GLN A 84 6.713 -4.167 25.768 1.00 3.04 H new ATOM 1306 N HIS A 85 5.094 -10.404 25.024 1.00 50.13 N ATOM 1307 CA HIS A 85 4.905 -11.119 26.289 1.00 23.14 C ATOM 1308 C HIS A 85 4.987 -12.634 26.081 1.00 22.41 C ATOM 1309 O HIS A 85 4.138 -13.386 26.565 1.00 2.45 O ATOM 1310 CB HIS A 85 3.561 -10.732 26.931 1.00 52.30 C ATOM 1311 CG HIS A 85 3.507 -9.311 27.416 1.00 34.32 C ATOM 1312 ND1 HIS A 85 3.775 -8.948 28.721 1.00 73.50 N ATOM 1313 CD2 HIS A 85 3.208 -8.162 26.766 1.00 52.32 C ATOM 1314 CE1 HIS A 85 3.642 -7.641 28.849 1.00 52.11 C ATOM 1315 NE2 HIS A 85 3.301 -7.142 27.679 1.00 52.35 N ATOM 0 H HIS A 85 4.226 -10.131 24.563 1.00 50.13 H new ATOM 0 HA HIS A 85 5.708 -10.828 26.966 1.00 23.14 H new ATOM 0 HB2 HIS A 85 2.764 -10.889 26.205 1.00 52.30 H new ATOM 0 HB3 HIS A 85 3.364 -11.400 27.770 1.00 52.30 H new ATOM 0 HD2 HIS A 85 2.945 -8.066 25.723 1.00 52.32 H new ATOM 0 HE1 HIS A 85 3.788 -7.077 29.758 1.00 52.11 H new ATOM 0 HE2 HIS A 85 3.133 -6.155 27.483 1.00 52.35 H new ATOM 1324 N SER A 86 6.040 -13.059 25.375 1.00 2.41 N ATOM 1325 CA SER A 86 6.324 -14.470 25.095 1.00 53.33 C ATOM 1326 C SER A 86 5.127 -15.189 24.457 1.00 3.22 C ATOM 1327 O SER A 86 4.169 -15.564 25.140 1.00 51.12 O ATOM 1328 CB SER A 86 6.788 -15.202 26.370 1.00 53.13 C ATOM 1329 OG SER A 86 5.790 -15.191 27.383 1.00 2.23 O ATOM 0 H SER A 86 6.730 -12.422 24.976 1.00 2.41 H new ATOM 0 HA SER A 86 7.136 -14.493 24.368 1.00 53.33 H new ATOM 0 HB2 SER A 86 7.043 -16.233 26.124 1.00 53.13 H new ATOM 0 HB3 SER A 86 7.695 -14.731 26.749 1.00 53.13 H new ATOM 0 HG SER A 86 4.947 -14.859 27.008 1.00 2.23 H new ATOM 1335 N GLY A 87 5.182 -15.354 23.139 1.00 74.42 N ATOM 1336 CA GLY A 87 4.168 -16.118 22.434 1.00 31.33 C ATOM 1337 C GLY A 87 4.527 -17.594 22.374 1.00 32.32 C ATOM 1338 O GLY A 87 5.578 -17.992 22.877 1.00 53.13 O ATOM 0 H GLY A 87 5.915 -14.970 22.543 1.00 74.42 H new ATOM 0 HA2 GLY A 87 3.206 -15.996 22.932 1.00 31.33 H new ATOM 0 HA3 GLY A 87 4.054 -15.728 21.422 1.00 31.33 H new ATOM 1342 N PRO A 88 3.679 -18.436 21.756 1.00 70.20 N ATOM 1343 CA PRO A 88 3.937 -19.883 21.641 1.00 73.53 C ATOM 1344 C PRO A 88 5.076 -20.197 20.664 1.00 3.41 C ATOM 1345 O PRO A 88 5.514 -21.346 20.545 1.00 45.03 O ATOM 1346 CB PRO A 88 2.605 -20.435 21.115 1.00 5.34 C ATOM 1347 CG PRO A 88 1.987 -19.292 20.383 1.00 11.52 C ATOM 1348 CD PRO A 88 2.393 -18.051 21.134 1.00 42.10 C ATOM 0 HA PRO A 88 4.252 -20.321 22.588 1.00 73.53 H new ATOM 0 HB2 PRO A 88 2.762 -21.289 20.456 1.00 5.34 H new ATOM 0 HB3 PRO A 88 1.967 -20.775 21.931 1.00 5.34 H new ATOM 0 HG2 PRO A 88 2.336 -19.255 19.351 1.00 11.52 H new ATOM 0 HG3 PRO A 88 0.902 -19.391 20.350 1.00 11.52 H new ATOM 0 HD2 PRO A 88 2.508 -17.197 20.467 1.00 42.10 H new ATOM 0 HD3 PRO A 88 1.651 -17.773 21.883 1.00 42.10 H new ATOM 1356 N GLY A 89 5.541 -19.167 19.963 1.00 45.11 N ATOM 1357 CA GLY A 89 6.613 -19.329 18.992 1.00 73.43 C ATOM 1358 C GLY A 89 6.082 -19.612 17.601 1.00 22.31 C ATOM 1359 O GLY A 89 6.797 -19.463 16.608 1.00 11.13 O ATOM 0 H GLY A 89 5.191 -18.213 20.051 1.00 45.11 H new ATOM 0 HA2 GLY A 89 7.222 -18.425 18.970 1.00 73.43 H new ATOM 0 HA3 GLY A 89 7.265 -20.145 19.304 1.00 73.43 H new ATOM 1363 N ILE A 90 4.821 -20.019 17.539 1.00 5.14 N ATOM 1364 CA ILE A 90 4.153 -20.312 16.279 1.00 21.42 C ATOM 1365 C ILE A 90 3.791 -19.014 15.561 1.00 23.35 C ATOM 1366 O ILE A 90 3.285 -18.076 16.182 1.00 33.33 O ATOM 1367 CB ILE A 90 2.865 -21.141 16.519 1.00 44.04 C ATOM 1368 CG1 ILE A 90 3.194 -22.423 17.302 1.00 14.02 C ATOM 1369 CG2 ILE A 90 2.180 -21.480 15.194 1.00 43.22 C ATOM 1370 CD1 ILE A 90 1.978 -23.253 17.655 1.00 22.10 C ATOM 0 H ILE A 90 4.233 -20.155 18.361 1.00 5.14 H new ATOM 0 HA ILE A 90 4.838 -20.893 15.661 1.00 21.42 H new ATOM 0 HB ILE A 90 2.175 -20.539 17.111 1.00 44.04 H new ATOM 0 HG12 ILE A 90 3.879 -23.032 16.712 1.00 14.02 H new ATOM 0 HG13 ILE A 90 3.717 -22.153 18.220 1.00 14.02 H new ATOM 0 HG21 ILE A 90 1.279 -22.062 15.389 1.00 43.22 H new ATOM 0 HG22 ILE A 90 1.912 -20.559 14.677 1.00 43.22 H new ATOM 0 HG23 ILE A 90 2.860 -22.061 14.571 1.00 43.22 H new ATOM 0 HD11 ILE A 90 2.290 -24.140 18.206 1.00 22.10 H new ATOM 0 HD12 ILE A 90 1.301 -22.662 18.272 1.00 22.10 H new ATOM 0 HD13 ILE A 90 1.466 -23.555 16.741 1.00 22.10 H new ATOM 1382 N ASP A 91 4.065 -18.963 14.261 1.00 1.23 N ATOM 1383 CA ASP A 91 3.735 -17.796 13.445 1.00 74.51 C ATOM 1384 C ASP A 91 2.272 -17.856 13.022 1.00 2.04 C ATOM 1385 O ASP A 91 1.657 -18.926 13.021 1.00 62.54 O ATOM 1386 CB ASP A 91 4.639 -17.726 12.204 1.00 44.12 C ATOM 1387 CG ASP A 91 4.431 -18.899 11.258 1.00 15.41 C ATOM 1388 OD1 ASP A 91 4.775 -20.039 11.633 1.00 43.31 O ATOM 1389 OD2 ASP A 91 3.937 -18.690 10.130 1.00 24.45 O ATOM 0 H ASP A 91 4.517 -19.719 13.747 1.00 1.23 H new ATOM 0 HA ASP A 91 3.900 -16.899 14.042 1.00 74.51 H new ATOM 0 HB2 ASP A 91 4.445 -16.796 11.670 1.00 44.12 H new ATOM 0 HB3 ASP A 91 5.682 -17.700 12.520 1.00 44.12 H new ATOM 1394 N TYR A 92 1.717 -16.709 12.661 1.00 33.23 N ATOM 1395 CA TYR A 92 0.314 -16.617 12.278 1.00 55.10 C ATOM 1396 C TYR A 92 0.170 -15.795 11.005 1.00 54.42 C ATOM 1397 O TYR A 92 1.153 -15.255 10.492 1.00 72.11 O ATOM 1398 CB TYR A 92 -0.514 -15.982 13.409 1.00 14.33 C ATOM 1399 CG TYR A 92 -0.457 -16.750 14.718 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -1.095 -17.979 14.855 1.00 64.52 C ATOM 1401 CD2 TYR A 92 0.234 -16.246 15.816 1.00 74.10 C ATOM 1402 CE1 TYR A 92 -1.045 -18.682 16.040 1.00 43.34 C ATOM 1403 CE2 TYR A 92 0.286 -16.944 17.008 1.00 61.43 C ATOM 1404 CZ TYR A 92 -0.354 -18.162 17.113 1.00 34.30 C ATOM 1405 OH TYR A 92 -0.308 -18.861 18.298 1.00 4.12 O ATOM 0 H TYR A 92 2.220 -15.822 12.625 1.00 33.23 H new ATOM 0 HA TYR A 92 -0.060 -17.624 12.095 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -0.159 -14.966 13.579 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -1.553 -15.907 13.088 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -1.639 -18.390 14.018 1.00 64.52 H new ATOM 0 HD2 TYR A 92 0.738 -15.294 15.735 1.00 74.10 H new ATOM 0 HE1 TYR A 92 -1.545 -19.635 16.127 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.824 -16.539 17.852 1.00 61.43 H new ATOM 0 HH TYR A 92 -0.362 -19.822 18.113 1.00 4.12 H new ATOM 1415 N ALA A 93 -1.058 -15.714 10.501 1.00 11.13 N ATOM 1416 CA ALA A 93 -1.366 -14.897 9.329 1.00 53.10 C ATOM 1417 C ALA A 93 -1.208 -13.417 9.657 1.00 2.23 C ATOM 1418 O ALA A 93 -1.140 -13.043 10.831 1.00 73.52 O ATOM 1419 CB ALA A 93 -2.779 -15.188 8.842 1.00 75.12 C ATOM 0 H ALA A 93 -1.862 -16.208 10.889 1.00 11.13 H new ATOM 0 HA ALA A 93 -0.665 -15.149 8.533 1.00 53.10 H new ATOM 0 HB1 ALA A 93 -2.997 -14.573 7.969 1.00 75.12 H new ATOM 0 HB2 ALA A 93 -2.862 -16.241 8.574 1.00 75.12 H new ATOM 0 HB3 ALA A 93 -3.491 -14.958 9.634 1.00 75.12 H new ATOM 1425 N VAL A 94 -1.166 -12.567 8.630 1.00 65.13 N ATOM 1426 CA VAL A 94 -0.926 -11.141 8.844 1.00 73.34 C ATOM 1427 C VAL A 94 -2.221 -10.367 9.078 1.00 64.21 C ATOM 1428 O VAL A 94 -2.306 -9.148 8.934 1.00 24.50 O ATOM 1429 CB VAL A 94 -0.089 -10.530 7.694 1.00 52.51 C ATOM 1430 CG1 VAL A 94 -0.825 -10.643 6.364 1.00 75.41 C ATOM 1431 CG2 VAL A 94 0.284 -9.087 8.011 1.00 41.25 C ATOM 0 H VAL A 94 -1.293 -12.837 7.655 1.00 65.13 H new ATOM 0 HA VAL A 94 -0.340 -11.049 9.758 1.00 73.34 H new ATOM 0 HB VAL A 94 0.836 -11.098 7.601 1.00 52.51 H new ATOM 0 HG11 VAL A 94 -0.216 -10.206 5.573 1.00 75.41 H new ATOM 0 HG12 VAL A 94 -1.013 -11.693 6.140 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -1.774 -10.110 6.427 1.00 75.41 H new ATOM 0 HG21 VAL A 94 0.872 -8.675 7.191 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -0.623 -8.497 8.140 1.00 41.25 H new ATOM 0 HG23 VAL A 94 0.870 -9.056 8.929 1.00 41.25 H new ATOM 1441 N ARG A 95 -3.202 -11.108 9.492 1.00 64.15 N ATOM 1442 CA ARG A 95 -4.447 -10.545 10.017 1.00 53.51 C ATOM 1443 C ARG A 95 -4.152 -9.794 11.327 1.00 63.34 C ATOM 1444 O ARG A 95 -4.083 -8.547 11.305 1.00 22.32 O ATOM 1445 CB ARG A 95 -5.510 -11.641 10.250 1.00 22.34 C ATOM 1446 CG ARG A 95 -6.735 -11.163 11.036 1.00 23.40 C ATOM 1447 CD ARG A 95 -7.426 -9.972 10.377 1.00 44.34 C ATOM 1448 NE ARG A 95 -8.510 -9.442 11.216 1.00 74.54 N ATOM 1449 CZ ARG A 95 -8.857 -8.153 11.268 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -8.209 -7.253 10.540 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -9.848 -7.769 12.060 1.00 42.22 N ATOM 1452 OXT ARG A 95 -3.961 -10.455 12.369 1.00 0.00 O ATOM 0 H ARG A 95 -3.180 -12.128 9.483 1.00 64.15 H new ATOM 0 HA ARG A 95 -4.852 -9.851 9.280 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.838 -12.026 9.284 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -5.049 -12.472 10.785 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -7.445 -11.984 11.130 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -6.430 -10.889 12.046 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -6.695 -9.186 10.187 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -7.828 -10.274 9.410 1.00 44.34 H new ATOM 0 HE ARG A 95 -9.031 -10.100 11.796 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -7.440 -7.544 9.936 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -8.479 -6.270 10.585 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -10.343 -8.457 12.627 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -10.115 -6.786 12.102 1.00 42.22 H new TER 1466 ARG A 95