USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 644 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 61 SER OG : rot 180:sc= 0.225 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.00607 X(o=0.23,f=-0.16) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= -0.0874 (180deg=-1.12) USER MOD Single : A 7 SER OG : rot 63:sc= 0.882 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= 0.439 F(o=-0.38,f=0.44) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 24 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.22) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=0.000864 USER MOD Single : A 32 THR OG1 : rot -179:sc= 1.08 USER MOD Single : A 34 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.16) USER MOD Single : A 35 SER OG : rot 69:sc= 1.17 USER MOD Single : A 36 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= -0.872 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 163:sc= 0.0868 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.641 K(o=-0.64,f=-3.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 52:sc= 0.641 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.242 F(o=-2.3,f=-0.24) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.023) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= -0.57 (180deg=-0.599) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 70:sc= 1.11 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.473 2.220 -2.817 1.00 24.43 N ATOM 2 CA MET A 1 4.842 1.825 -3.129 1.00 2.40 C ATOM 3 C MET A 1 5.333 0.752 -2.163 1.00 33.23 C ATOM 4 O MET A 1 6.161 1.003 -1.287 1.00 34.34 O ATOM 5 CB MET A 1 5.771 3.040 -3.074 1.00 54.11 C ATOM 6 CG MET A 1 7.102 2.819 -3.773 1.00 4.33 C ATOM 7 SD MET A 1 7.209 3.681 -5.353 1.00 2.11 S ATOM 8 CE MET A 1 6.816 2.354 -6.490 1.00 24.24 C ATOM 0 H1 MET A 1 2.918 2.272 -3.695 1.00 24.43 H new ATOM 0 H2 MET A 1 3.046 1.519 -2.179 1.00 24.43 H new ATOM 0 H3 MET A 1 3.477 3.152 -2.355 1.00 24.43 H new ATOM 0 HA MET A 1 4.853 1.413 -4.138 1.00 2.40 H new ATOM 0 HB2 MET A 1 5.268 3.893 -3.530 1.00 54.11 H new ATOM 0 HB3 MET A 1 5.956 3.299 -2.031 1.00 54.11 H new ATOM 0 HG2 MET A 1 7.909 3.157 -3.124 1.00 4.33 H new ATOM 0 HG3 MET A 1 7.250 1.751 -3.935 1.00 4.33 H new ATOM 0 HE1 MET A 1 6.842 2.731 -7.512 1.00 24.24 H new ATOM 0 HE2 MET A 1 7.547 1.553 -6.380 1.00 24.24 H new ATOM 0 HE3 MET A 1 5.820 1.969 -6.270 1.00 24.24 H new ATOM 18 N PRO A 2 4.811 -0.473 -2.323 1.00 61.44 N ATOM 19 CA PRO A 2 5.182 -1.609 -1.474 1.00 61.33 C ATOM 20 C PRO A 2 6.611 -2.078 -1.725 1.00 23.01 C ATOM 21 O PRO A 2 7.142 -1.922 -2.824 1.00 51.12 O ATOM 22 CB PRO A 2 4.184 -2.696 -1.880 1.00 71.52 C ATOM 23 CG PRO A 2 3.787 -2.346 -3.273 1.00 4.12 C ATOM 24 CD PRO A 2 3.819 -0.844 -3.347 1.00 25.31 C ATOM 0 HA PRO A 2 5.148 -1.354 -0.415 1.00 61.33 H new ATOM 0 HB2 PRO A 2 4.637 -3.686 -1.835 1.00 71.52 H new ATOM 0 HB3 PRO A 2 3.321 -2.710 -1.214 1.00 71.52 H new ATOM 0 HG2 PRO A 2 4.472 -2.787 -3.997 1.00 4.12 H new ATOM 0 HG3 PRO A 2 2.792 -2.727 -3.503 1.00 4.12 H new ATOM 0 HD2 PRO A 2 4.114 -0.497 -4.337 1.00 25.31 H new ATOM 0 HD3 PRO A 2 2.842 -0.410 -3.135 1.00 25.31 H new ATOM 32 N ALA A 3 7.229 -2.653 -0.698 1.00 60.34 N ATOM 33 CA ALA A 3 8.596 -3.147 -0.809 1.00 0.03 C ATOM 34 C ALA A 3 9.526 -2.070 -1.357 1.00 60.23 C ATOM 35 O ALA A 3 9.727 -1.968 -2.567 1.00 51.21 O ATOM 36 CB ALA A 3 8.640 -4.385 -1.692 1.00 23.33 C ATOM 0 H ALA A 3 6.805 -2.788 0.220 1.00 60.34 H new ATOM 0 HA ALA A 3 8.942 -3.415 0.190 1.00 0.03 H new ATOM 0 HB1 ALA A 3 9.667 -4.743 -1.766 1.00 23.33 H new ATOM 0 HB2 ALA A 3 8.014 -5.165 -1.257 1.00 23.33 H new ATOM 0 HB3 ALA A 3 8.270 -4.136 -2.687 1.00 23.33 H new ATOM 42 N ALA A 4 10.090 -1.269 -0.460 1.00 3.32 N ATOM 43 CA ALA A 4 11.000 -0.200 -0.854 1.00 70.45 C ATOM 44 C ALA A 4 12.269 -0.220 -0.009 1.00 50.31 C ATOM 45 O ALA A 4 12.209 -0.169 1.220 1.00 2.22 O ATOM 46 CB ALA A 4 10.309 1.150 -0.741 1.00 55.24 C ATOM 0 H ALA A 4 9.933 -1.340 0.545 1.00 3.32 H new ATOM 0 HA ALA A 4 11.285 -0.364 -1.893 1.00 70.45 H new ATOM 0 HB1 ALA A 4 11.000 1.939 -1.038 1.00 55.24 H new ATOM 0 HB2 ALA A 4 9.436 1.168 -1.394 1.00 55.24 H new ATOM 0 HB3 ALA A 4 9.995 1.313 0.290 1.00 55.24 H new ATOM 52 N LEU A 5 13.416 -0.294 -0.675 1.00 23.15 N ATOM 53 CA LEU A 5 14.701 -0.321 0.016 1.00 10.22 C ATOM 54 C LEU A 5 14.794 0.808 1.037 1.00 13.44 C ATOM 55 O LEU A 5 14.722 1.986 0.685 1.00 31.21 O ATOM 56 CB LEU A 5 15.846 -0.208 -0.991 1.00 44.13 C ATOM 57 CG LEU A 5 15.815 1.015 -1.909 1.00 22.01 C ATOM 58 CD1 LEU A 5 17.114 1.798 -1.799 1.00 2.11 C ATOM 59 CD2 LEU A 5 15.564 0.594 -3.350 1.00 1.44 C ATOM 0 H LEU A 5 13.483 -0.336 -1.692 1.00 23.15 H new ATOM 0 HA LEU A 5 14.782 -1.271 0.544 1.00 10.22 H new ATOM 0 HB2 LEU A 5 16.787 -0.201 -0.441 1.00 44.13 H new ATOM 0 HB3 LEU A 5 15.846 -1.104 -1.612 1.00 44.13 H new ATOM 0 HG LEU A 5 14.997 1.662 -1.593 1.00 22.01 H new ATOM 0 HD11 LEU A 5 17.074 2.664 -2.459 1.00 2.11 H new ATOM 0 HD12 LEU A 5 17.252 2.132 -0.770 1.00 2.11 H new ATOM 0 HD13 LEU A 5 17.949 1.160 -2.088 1.00 2.11 H new ATOM 0 HD21 LEU A 5 15.545 1.477 -3.989 1.00 1.44 H new ATOM 0 HD22 LEU A 5 16.360 -0.074 -3.678 1.00 1.44 H new ATOM 0 HD23 LEU A 5 14.606 0.077 -3.417 1.00 1.44 H new ATOM 71 N VAL A 6 14.956 0.441 2.305 1.00 52.42 N ATOM 72 CA VAL A 6 15.062 1.423 3.377 1.00 1.34 C ATOM 73 C VAL A 6 16.511 1.601 3.818 1.00 53.42 C ATOM 74 O VAL A 6 17.121 2.642 3.574 1.00 41.14 O ATOM 75 CB VAL A 6 14.213 1.017 4.596 1.00 14.03 C ATOM 76 CG1 VAL A 6 14.264 2.097 5.667 1.00 74.34 C ATOM 77 CG2 VAL A 6 12.777 0.739 4.176 1.00 24.30 C ATOM 0 H VAL A 6 15.017 -0.529 2.614 1.00 52.42 H new ATOM 0 HA VAL A 6 14.687 2.366 2.980 1.00 1.34 H new ATOM 0 HB VAL A 6 14.628 0.102 5.017 1.00 14.03 H new ATOM 0 HG11 VAL A 6 13.658 1.792 6.520 1.00 74.34 H new ATOM 0 HG12 VAL A 6 15.295 2.243 5.988 1.00 74.34 H new ATOM 0 HG13 VAL A 6 13.875 3.031 5.261 1.00 74.34 H new ATOM 0 HG21 VAL A 6 12.191 0.453 5.050 1.00 24.30 H new ATOM 0 HG22 VAL A 6 12.348 1.636 3.729 1.00 24.30 H new ATOM 0 HG23 VAL A 6 12.761 -0.072 3.448 1.00 24.30 H new ATOM 87 N SER A 7 17.056 0.578 4.468 1.00 12.32 N ATOM 88 CA SER A 7 18.433 0.623 4.946 1.00 33.32 C ATOM 89 C SER A 7 18.802 -0.674 5.661 1.00 15.53 C ATOM 90 O SER A 7 17.991 -1.596 5.755 1.00 13.53 O ATOM 91 CB SER A 7 18.630 1.812 5.888 1.00 32.02 C ATOM 92 OG SER A 7 19.119 2.942 5.187 1.00 4.13 O ATOM 0 H SER A 7 16.565 -0.292 4.676 1.00 12.32 H new ATOM 0 HA SER A 7 19.088 0.741 4.083 1.00 33.32 H new ATOM 0 HB2 SER A 7 17.684 2.060 6.369 1.00 32.02 H new ATOM 0 HB3 SER A 7 19.328 1.541 6.680 1.00 32.02 H new ATOM 0 HG SER A 7 18.455 3.229 4.526 1.00 4.13 H new ATOM 98 N ILE A 8 20.030 -0.736 6.163 1.00 1.24 N ATOM 99 CA ILE A 8 20.507 -1.918 6.871 1.00 53.21 C ATOM 100 C ILE A 8 21.517 -1.543 7.950 1.00 53.40 C ATOM 101 O ILE A 8 22.332 -0.639 7.764 1.00 21.34 O ATOM 102 CB ILE A 8 21.155 -2.928 5.906 1.00 32.20 C ATOM 103 CG1 ILE A 8 21.768 -4.092 6.688 1.00 73.03 C ATOM 104 CG2 ILE A 8 22.210 -2.243 5.052 1.00 45.44 C ATOM 105 CD1 ILE A 8 21.753 -5.402 5.932 1.00 42.05 C ATOM 0 H ILE A 8 20.713 0.018 6.093 1.00 1.24 H new ATOM 0 HA ILE A 8 19.636 -2.379 7.337 1.00 53.21 H new ATOM 0 HB ILE A 8 20.383 -3.324 5.246 1.00 32.20 H new ATOM 0 HG12 ILE A 8 22.797 -3.843 6.947 1.00 73.03 H new ATOM 0 HG13 ILE A 8 21.225 -4.216 7.625 1.00 73.03 H new ATOM 0 HG21 ILE A 8 22.659 -2.970 4.375 1.00 45.44 H new ATOM 0 HG22 ILE A 8 21.747 -1.445 4.472 1.00 45.44 H new ATOM 0 HG23 ILE A 8 22.982 -1.822 5.696 1.00 45.44 H new ATOM 0 HD11 ILE A 8 22.203 -6.182 6.546 1.00 42.05 H new ATOM 0 HD12 ILE A 8 20.724 -5.674 5.696 1.00 42.05 H new ATOM 0 HD13 ILE A 8 22.321 -5.295 5.008 1.00 42.05 H new ATOM 117 N SER A 9 21.458 -2.244 9.078 1.00 54.34 N ATOM 118 CA SER A 9 22.366 -1.983 10.188 1.00 20.32 C ATOM 119 C SER A 9 23.555 -2.938 10.153 1.00 61.41 C ATOM 120 O SER A 9 23.388 -4.152 10.034 1.00 31.31 O ATOM 121 CB SER A 9 21.628 -2.119 11.521 1.00 33.02 C ATOM 122 OG SER A 9 21.544 -0.871 12.187 1.00 12.02 O ATOM 0 H SER A 9 20.791 -2.997 9.247 1.00 54.34 H new ATOM 0 HA SER A 9 22.738 -0.963 10.089 1.00 20.32 H new ATOM 0 HB2 SER A 9 20.626 -2.510 11.347 1.00 33.02 H new ATOM 0 HB3 SER A 9 22.145 -2.839 12.155 1.00 33.02 H new ATOM 0 HG SER A 9 21.067 -0.984 13.035 1.00 12.02 H new ATOM 128 N VAL A 10 24.757 -2.381 10.257 1.00 43.10 N ATOM 129 CA VAL A 10 25.976 -3.182 10.238 1.00 13.42 C ATOM 130 C VAL A 10 26.711 -3.094 11.571 1.00 44.04 C ATOM 131 O VAL A 10 26.865 -2.012 12.137 1.00 54.21 O ATOM 132 CB VAL A 10 26.924 -2.734 9.110 1.00 21.12 C ATOM 133 CG1 VAL A 10 26.217 -2.789 7.765 1.00 60.14 C ATOM 134 CG2 VAL A 10 27.456 -1.336 9.385 1.00 1.34 C ATOM 0 H VAL A 10 24.913 -1.378 10.355 1.00 43.10 H new ATOM 0 HA VAL A 10 25.675 -4.214 10.060 1.00 13.42 H new ATOM 0 HB VAL A 10 27.770 -3.420 9.077 1.00 21.12 H new ATOM 0 HG11 VAL A 10 26.902 -2.469 6.980 1.00 60.14 H new ATOM 0 HG12 VAL A 10 25.890 -3.810 7.567 1.00 60.14 H new ATOM 0 HG13 VAL A 10 25.351 -2.128 7.782 1.00 60.14 H new ATOM 0 HG21 VAL A 10 28.124 -1.036 8.578 1.00 1.34 H new ATOM 0 HG22 VAL A 10 26.623 -0.635 9.446 1.00 1.34 H new ATOM 0 HG23 VAL A 10 28.002 -1.334 10.328 1.00 1.34 H new ATOM 144 N SER A 11 27.166 -4.241 12.066 1.00 14.31 N ATOM 145 CA SER A 11 27.883 -4.295 13.334 1.00 2.54 C ATOM 146 C SER A 11 29.346 -4.669 13.115 1.00 31.05 C ATOM 147 O SER A 11 29.767 -5.800 13.358 1.00 74.41 O ATOM 148 CB SER A 11 27.222 -5.303 14.276 1.00 2.11 C ATOM 149 OG SER A 11 26.272 -4.670 15.116 1.00 41.24 O ATOM 0 H SER A 11 27.051 -5.145 11.608 1.00 14.31 H new ATOM 0 HA SER A 11 27.843 -3.305 13.788 1.00 2.54 H new ATOM 0 HB2 SER A 11 26.733 -6.084 13.693 1.00 2.11 H new ATOM 0 HB3 SER A 11 27.984 -5.790 14.885 1.00 2.11 H new ATOM 0 HG SER A 11 25.863 -5.336 15.707 1.00 41.24 H new ATOM 155 N PRO A 12 30.141 -3.696 12.646 1.00 71.35 N ATOM 156 CA PRO A 12 31.569 -3.898 12.384 1.00 71.44 C ATOM 157 C PRO A 12 32.375 -4.072 13.666 1.00 12.34 C ATOM 158 O PRO A 12 31.970 -3.610 14.734 1.00 30.10 O ATOM 159 CB PRO A 12 31.983 -2.613 11.662 1.00 75.42 C ATOM 160 CG PRO A 12 31.001 -1.590 12.119 1.00 43.23 C ATOM 161 CD PRO A 12 29.707 -2.324 12.334 1.00 11.02 C ATOM 0 HA PRO A 12 31.753 -4.805 11.808 1.00 71.44 H new ATOM 0 HB2 PRO A 12 33.003 -2.326 11.918 1.00 75.42 H new ATOM 0 HB3 PRO A 12 31.950 -2.738 10.580 1.00 75.42 H new ATOM 0 HG2 PRO A 12 31.336 -1.112 13.040 1.00 43.23 H new ATOM 0 HG3 PRO A 12 30.884 -0.802 11.375 1.00 43.23 H new ATOM 0 HD2 PRO A 12 29.130 -1.890 13.150 1.00 11.02 H new ATOM 0 HD3 PRO A 12 29.076 -2.294 11.446 1.00 11.02 H new ATOM 169 N THR A 13 33.519 -4.740 13.556 1.00 52.13 N ATOM 170 CA THR A 13 34.381 -4.975 14.707 1.00 43.32 C ATOM 171 C THR A 13 35.671 -4.169 14.601 1.00 12.42 C ATOM 172 O THR A 13 36.496 -4.413 13.722 1.00 10.51 O ATOM 173 CB THR A 13 34.733 -6.468 14.850 1.00 11.41 C ATOM 174 OG1 THR A 13 33.583 -7.271 14.564 1.00 32.33 O ATOM 175 CG2 THR A 13 35.235 -6.773 16.253 1.00 3.11 C ATOM 0 H THR A 13 33.870 -5.128 12.680 1.00 52.13 H new ATOM 0 HA THR A 13 33.826 -4.654 15.588 1.00 43.32 H new ATOM 0 HB THR A 13 35.525 -6.702 14.139 1.00 11.41 H new ATOM 0 HG1 THR A 13 33.815 -8.219 14.655 1.00 32.33 H new ATOM 0 HG21 THR A 13 35.477 -7.833 16.330 1.00 3.11 H new ATOM 0 HG22 THR A 13 36.127 -6.181 16.457 1.00 3.11 H new ATOM 0 HG23 THR A 13 34.461 -6.524 16.979 1.00 3.11 H new ATOM 183 N ASN A 14 35.838 -3.207 15.504 1.00 72.33 N ATOM 184 CA ASN A 14 37.028 -2.365 15.512 1.00 42.24 C ATOM 185 C ASN A 14 37.937 -2.718 16.685 1.00 12.12 C ATOM 186 O ASN A 14 37.774 -2.196 17.788 1.00 21.43 O ATOM 187 CB ASN A 14 36.633 -0.888 15.584 1.00 21.42 C ATOM 188 CG ASN A 14 35.448 -0.652 16.500 1.00 53.50 C ATOM 189 OD1 ASN A 14 34.284 -0.405 15.910 1.00 61.24 O flip ATOM 190 ND2 ASN A 14 35.577 -0.690 17.724 1.00 41.25 N flip ATOM 0 H ASN A 14 35.164 -2.992 16.239 1.00 72.33 H new ATOM 0 HA ASN A 14 37.575 -2.543 14.586 1.00 42.24 H new ATOM 0 HB2 ASN A 14 37.483 -0.304 15.936 1.00 21.42 H new ATOM 0 HB3 ASN A 14 36.392 -0.530 14.583 1.00 21.42 H new ATOM 0 HD21 ASN A 14 36.490 -0.883 18.135 1.00 41.25 H new ATOM 0 HD22 ASN A 14 34.770 -0.528 18.327 1.00 41.25 H new ATOM 197 N SER A 15 38.894 -3.607 16.439 1.00 40.41 N ATOM 198 CA SER A 15 39.827 -4.032 17.476 1.00 60.24 C ATOM 199 C SER A 15 41.049 -4.710 16.862 1.00 14.22 C ATOM 200 O SER A 15 41.248 -4.676 15.647 1.00 22.24 O ATOM 201 CB SER A 15 39.137 -4.987 18.452 1.00 52.40 C ATOM 202 OG SER A 15 39.521 -4.714 19.789 1.00 74.34 O ATOM 0 H SER A 15 39.044 -4.047 15.531 1.00 40.41 H new ATOM 0 HA SER A 15 40.158 -3.146 18.018 1.00 60.24 H new ATOM 0 HB2 SER A 15 38.055 -4.893 18.354 1.00 52.40 H new ATOM 0 HB3 SER A 15 39.392 -6.016 18.200 1.00 52.40 H new ATOM 0 HG SER A 15 39.065 -5.336 20.394 1.00 74.34 H new ATOM 208 N THR A 16 41.865 -5.326 17.712 1.00 40.42 N ATOM 209 CA THR A 16 43.068 -6.010 17.256 1.00 71.44 C ATOM 210 C THR A 16 42.876 -7.523 17.263 1.00 51.42 C ATOM 211 O THR A 16 42.131 -8.060 18.083 1.00 63.13 O ATOM 212 CB THR A 16 44.284 -5.655 18.132 1.00 54.50 C ATOM 213 OG1 THR A 16 45.403 -6.472 17.772 1.00 32.14 O ATOM 214 CG2 THR A 16 43.962 -5.846 19.607 1.00 42.25 C ATOM 0 H THR A 16 41.714 -5.365 18.720 1.00 40.42 H new ATOM 0 HA THR A 16 43.254 -5.674 16.236 1.00 71.44 H new ATOM 0 HB THR A 16 44.532 -4.607 17.964 1.00 54.50 H new ATOM 0 HG1 THR A 16 45.699 -6.241 16.867 1.00 32.14 H new ATOM 0 HG21 THR A 16 44.836 -5.589 20.206 1.00 42.25 H new ATOM 0 HG22 THR A 16 43.129 -5.200 19.884 1.00 42.25 H new ATOM 0 HG23 THR A 16 43.690 -6.886 19.788 1.00 42.25 H new ATOM 222 N VAL A 17 43.553 -8.205 16.344 1.00 14.14 N ATOM 223 CA VAL A 17 43.458 -9.657 16.246 1.00 13.53 C ATOM 224 C VAL A 17 44.836 -10.288 16.085 1.00 40.31 C ATOM 225 O VAL A 17 45.770 -9.649 15.600 1.00 15.11 O ATOM 226 CB VAL A 17 42.568 -10.082 15.063 1.00 65.21 C ATOM 227 CG1 VAL A 17 41.134 -9.627 15.282 1.00 33.33 C ATOM 228 CG2 VAL A 17 43.118 -9.528 13.757 1.00 5.04 C ATOM 0 H VAL A 17 44.173 -7.775 15.657 1.00 14.14 H new ATOM 0 HA VAL A 17 43.008 -10.009 17.174 1.00 13.53 H new ATOM 0 HB VAL A 17 42.573 -11.170 15.001 1.00 65.21 H new ATOM 0 HG11 VAL A 17 40.521 -9.937 14.436 1.00 33.33 H new ATOM 0 HG12 VAL A 17 40.745 -10.077 16.196 1.00 33.33 H new ATOM 0 HG13 VAL A 17 41.107 -8.541 15.372 1.00 33.33 H new ATOM 0 HG21 VAL A 17 42.477 -9.838 12.932 1.00 5.04 H new ATOM 0 HG22 VAL A 17 43.145 -8.439 13.806 1.00 5.04 H new ATOM 0 HG23 VAL A 17 44.126 -9.909 13.596 1.00 5.04 H new ATOM 238 N ALA A 18 44.956 -11.546 16.494 1.00 30.41 N ATOM 239 CA ALA A 18 46.220 -12.266 16.393 1.00 52.54 C ATOM 240 C ALA A 18 46.562 -12.571 14.938 1.00 3.13 C ATOM 241 O ALA A 18 45.687 -12.582 14.072 1.00 2.14 O ATOM 242 CB ALA A 18 46.162 -13.551 17.204 1.00 22.14 C ATOM 0 H ALA A 18 44.193 -12.089 16.899 1.00 30.41 H new ATOM 0 HA ALA A 18 47.006 -11.629 16.799 1.00 52.54 H new ATOM 0 HB1 ALA A 18 47.112 -14.078 17.119 1.00 22.14 H new ATOM 0 HB2 ALA A 18 45.971 -13.313 18.250 1.00 22.14 H new ATOM 0 HB3 ALA A 18 45.361 -14.185 16.825 1.00 22.14 H new ATOM 248 N LYS A 19 47.841 -12.818 14.676 1.00 42.10 N ATOM 249 CA LYS A 19 48.301 -13.124 13.326 1.00 33.15 C ATOM 250 C LYS A 19 47.480 -14.256 12.716 1.00 23.12 C ATOM 251 O LYS A 19 47.241 -15.278 13.358 1.00 15.21 O ATOM 252 CB LYS A 19 49.782 -13.506 13.344 1.00 24.25 C ATOM 253 CG LYS A 19 50.138 -14.514 14.424 1.00 12.53 C ATOM 254 CD LYS A 19 51.391 -15.295 14.068 1.00 44.44 C ATOM 255 CE LYS A 19 51.068 -16.500 13.198 1.00 45.35 C ATOM 256 NZ LYS A 19 51.893 -17.685 13.563 1.00 43.51 N ATOM 0 H LYS A 19 48.578 -12.812 15.381 1.00 42.10 H new ATOM 0 HA LYS A 19 48.170 -12.232 12.713 1.00 33.15 H new ATOM 0 HB2 LYS A 19 50.054 -13.917 12.372 1.00 24.25 H new ATOM 0 HB3 LYS A 19 50.379 -12.606 13.488 1.00 24.25 H new ATOM 0 HG2 LYS A 19 50.288 -13.996 15.371 1.00 12.53 H new ATOM 0 HG3 LYS A 19 49.307 -15.204 14.567 1.00 12.53 H new ATOM 0 HD2 LYS A 19 52.090 -14.644 13.544 1.00 44.44 H new ATOM 0 HD3 LYS A 19 51.886 -15.626 14.981 1.00 44.44 H new ATOM 0 HE2 LYS A 19 50.011 -16.748 13.299 1.00 45.35 H new ATOM 0 HE3 LYS A 19 51.238 -16.248 12.151 1.00 45.35 H new ATOM 0 HZ1 LYS A 19 51.643 -18.485 12.947 1.00 43.51 H new ATOM 0 HZ2 LYS A 19 52.901 -17.457 13.442 1.00 43.51 H new ATOM 0 HZ3 LYS A 19 51.712 -17.942 14.555 1.00 43.51 H new ATOM 270 N GLY A 20 47.053 -14.067 11.471 1.00 25.21 N ATOM 271 CA GLY A 20 46.266 -15.081 10.795 1.00 31.40 C ATOM 272 C GLY A 20 45.070 -15.527 11.612 1.00 14.14 C ATOM 273 O GLY A 20 45.081 -16.606 12.206 1.00 30.02 O ATOM 0 H GLY A 20 47.238 -13.230 10.919 1.00 25.21 H new ATOM 0 HA2 GLY A 20 45.922 -14.691 9.837 1.00 31.40 H new ATOM 0 HA3 GLY A 20 46.897 -15.943 10.580 1.00 31.40 H new ATOM 277 N LEU A 21 44.035 -14.695 11.645 1.00 13.32 N ATOM 278 CA LEU A 21 42.825 -15.008 12.398 1.00 52.23 C ATOM 279 C LEU A 21 41.589 -14.899 11.511 1.00 54.01 C ATOM 280 O LEU A 21 41.698 -14.769 10.292 1.00 14.31 O ATOM 281 CB LEU A 21 42.690 -14.069 13.598 1.00 52.01 C ATOM 282 CG LEU A 21 42.266 -14.720 14.915 1.00 60.00 C ATOM 283 CD1 LEU A 21 43.407 -15.540 15.496 1.00 20.33 C ATOM 284 CD2 LEU A 21 41.806 -13.663 15.909 1.00 62.24 C ATOM 0 H LEU A 21 44.009 -13.798 11.159 1.00 13.32 H new ATOM 0 HA LEU A 21 42.904 -16.035 12.755 1.00 52.23 H new ATOM 0 HB2 LEU A 21 43.647 -13.571 13.754 1.00 52.01 H new ATOM 0 HB3 LEU A 21 41.964 -13.295 13.348 1.00 52.01 H new ATOM 0 HG LEU A 21 41.430 -15.390 14.715 1.00 60.00 H new ATOM 0 HD11 LEU A 21 43.087 -15.996 16.433 1.00 20.33 H new ATOM 0 HD12 LEU A 21 43.690 -16.321 14.790 1.00 20.33 H new ATOM 0 HD13 LEU A 21 44.263 -14.892 15.682 1.00 20.33 H new ATOM 0 HD21 LEU A 21 41.508 -14.145 16.840 1.00 62.24 H new ATOM 0 HD22 LEU A 21 42.622 -12.968 16.105 1.00 62.24 H new ATOM 0 HD23 LEU A 21 40.958 -13.118 15.495 1.00 62.24 H new ATOM 296 N GLN A 22 40.415 -14.951 12.132 1.00 73.30 N ATOM 297 CA GLN A 22 39.158 -14.857 11.398 1.00 20.14 C ATOM 298 C GLN A 22 38.080 -14.194 12.249 1.00 34.20 C ATOM 299 O GLN A 22 37.959 -14.473 13.441 1.00 15.04 O ATOM 300 CB GLN A 22 38.695 -16.247 10.958 1.00 14.22 C ATOM 301 CG GLN A 22 38.902 -16.516 9.477 1.00 61.25 C ATOM 302 CD GLN A 22 38.585 -17.948 9.094 1.00 71.42 C ATOM 303 OE1 GLN A 22 37.557 -18.496 9.492 1.00 34.30 O ATOM 304 NE2 GLN A 22 39.469 -18.563 8.317 1.00 73.44 N ATOM 0 H GLN A 22 40.308 -15.058 13.141 1.00 73.30 H new ATOM 0 HA GLN A 22 39.327 -14.242 10.514 1.00 20.14 H new ATOM 0 HB2 GLN A 22 39.233 -17.000 11.534 1.00 14.22 H new ATOM 0 HB3 GLN A 22 37.637 -16.361 11.195 1.00 14.22 H new ATOM 0 HG2 GLN A 22 38.272 -15.841 8.898 1.00 61.25 H new ATOM 0 HG3 GLN A 22 39.936 -16.293 9.212 1.00 61.25 H new ATOM 0 HE21 GLN A 22 40.308 -18.071 8.010 1.00 73.44 H new ATOM 0 HE22 GLN A 22 39.309 -19.528 8.027 1.00 73.44 H new ATOM 313 N GLU A 23 37.299 -13.316 11.627 1.00 1.34 N ATOM 314 CA GLU A 23 36.232 -12.613 12.329 1.00 14.31 C ATOM 315 C GLU A 23 34.903 -12.770 11.596 1.00 73.14 C ATOM 316 O GLU A 23 34.860 -12.803 10.367 1.00 42.04 O ATOM 317 CB GLU A 23 36.576 -11.129 12.471 1.00 14.51 C ATOM 318 CG GLU A 23 35.942 -10.470 13.685 1.00 21.44 C ATOM 319 CD GLU A 23 36.968 -10.027 14.710 1.00 31.34 C ATOM 320 OE1 GLU A 23 37.504 -10.897 15.428 1.00 11.15 O ATOM 321 OE2 GLU A 23 37.235 -8.810 14.794 1.00 74.01 O ATOM 0 H GLU A 23 37.385 -13.075 10.640 1.00 1.34 H new ATOM 0 HA GLU A 23 36.134 -13.053 13.322 1.00 14.31 H new ATOM 0 HB2 GLU A 23 37.659 -11.020 12.533 1.00 14.51 H new ATOM 0 HB3 GLU A 23 36.254 -10.603 11.573 1.00 14.51 H new ATOM 0 HG2 GLU A 23 35.360 -9.607 13.363 1.00 21.44 H new ATOM 0 HG3 GLU A 23 35.246 -11.168 14.151 1.00 21.44 H new ATOM 328 N ASN A 24 33.820 -12.867 12.360 1.00 73.51 N ATOM 329 CA ASN A 24 32.489 -13.023 11.784 1.00 50.34 C ATOM 330 C ASN A 24 31.751 -11.688 11.751 1.00 1.30 C ATOM 331 O ASN A 24 31.837 -10.896 12.690 1.00 40.44 O ATOM 332 CB ASN A 24 31.680 -14.046 12.584 1.00 42.24 C ATOM 333 CG ASN A 24 31.819 -13.849 14.081 1.00 72.21 C ATOM 334 OD1 ASN A 24 32.641 -14.496 14.730 1.00 62.14 O ATOM 335 ND2 ASN A 24 31.012 -12.953 14.637 1.00 44.41 N ATOM 0 H ASN A 24 33.838 -12.840 13.379 1.00 73.51 H new ATOM 0 HA ASN A 24 32.603 -13.381 10.761 1.00 50.34 H new ATOM 0 HB2 ASN A 24 30.629 -13.971 12.306 1.00 42.24 H new ATOM 0 HB3 ASN A 24 32.008 -15.051 12.320 1.00 42.24 H new ATOM 0 HD21 ASN A 24 31.059 -12.778 15.641 1.00 44.41 H new ATOM 0 HD22 ASN A 24 30.346 -12.440 14.060 1.00 44.41 H new ATOM 342 N PHE A 25 31.026 -11.445 10.664 1.00 34.34 N ATOM 343 CA PHE A 25 30.273 -10.206 10.509 1.00 75.23 C ATOM 344 C PHE A 25 28.775 -10.457 10.661 1.00 22.02 C ATOM 345 O PHE A 25 28.295 -11.569 10.443 1.00 75.31 O ATOM 346 CB PHE A 25 30.559 -9.578 9.143 1.00 24.32 C ATOM 347 CG PHE A 25 31.775 -8.696 9.133 1.00 71.04 C ATOM 348 CD1 PHE A 25 32.995 -9.169 9.589 1.00 34.12 C ATOM 349 CD2 PHE A 25 31.698 -7.394 8.665 1.00 0.14 C ATOM 350 CE1 PHE A 25 34.114 -8.359 9.581 1.00 3.12 C ATOM 351 CE2 PHE A 25 32.815 -6.579 8.655 1.00 75.14 C ATOM 352 CZ PHE A 25 34.024 -7.063 9.112 1.00 5.22 C ATOM 0 H PHE A 25 30.944 -12.090 9.878 1.00 34.34 H new ATOM 0 HA PHE A 25 30.590 -9.517 11.292 1.00 75.23 H new ATOM 0 HB2 PHE A 25 30.689 -10.371 8.407 1.00 24.32 H new ATOM 0 HB3 PHE A 25 29.693 -8.994 8.832 1.00 24.32 H new ATOM 0 HD1 PHE A 25 33.072 -10.182 9.955 1.00 34.12 H new ATOM 0 HD2 PHE A 25 30.755 -7.011 8.304 1.00 0.14 H new ATOM 0 HE1 PHE A 25 35.059 -8.739 9.941 1.00 3.12 H new ATOM 0 HE2 PHE A 25 32.741 -5.565 8.290 1.00 75.14 H new ATOM 0 HZ PHE A 25 34.898 -6.429 9.103 1.00 5.22 H new ATOM 362 N LYS A 26 28.042 -9.415 11.038 1.00 3.23 N ATOM 363 CA LYS A 26 26.599 -9.519 11.220 1.00 24.22 C ATOM 364 C LYS A 26 25.903 -8.229 10.799 1.00 61.22 C ATOM 365 O LYS A 26 26.258 -7.143 11.256 1.00 22.31 O ATOM 366 CB LYS A 26 26.270 -9.835 12.681 1.00 63.20 C ATOM 367 CG LYS A 26 26.955 -8.911 13.672 1.00 2.54 C ATOM 368 CD LYS A 26 28.060 -9.627 14.432 1.00 53.55 C ATOM 369 CE LYS A 26 27.634 -9.960 15.853 1.00 14.41 C ATOM 370 NZ LYS A 26 26.684 -11.106 15.893 1.00 13.33 N ATOM 0 H LYS A 26 28.424 -8.488 11.224 1.00 3.23 H new ATOM 0 HA LYS A 26 26.236 -10.330 10.588 1.00 24.22 H new ATOM 0 HB2 LYS A 26 25.191 -9.772 12.824 1.00 63.20 H new ATOM 0 HB3 LYS A 26 26.560 -10.864 12.896 1.00 63.20 H new ATOM 0 HG2 LYS A 26 27.372 -8.054 13.143 1.00 2.54 H new ATOM 0 HG3 LYS A 26 26.220 -8.523 14.377 1.00 2.54 H new ATOM 0 HD2 LYS A 26 28.329 -10.544 13.907 1.00 53.55 H new ATOM 0 HD3 LYS A 26 28.952 -9.000 14.456 1.00 53.55 H new ATOM 0 HE2 LYS A 26 28.515 -10.197 16.450 1.00 14.41 H new ATOM 0 HE3 LYS A 26 27.168 -9.086 16.307 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 26.418 -11.302 16.879 1.00 13.33 H new ATOM 0 HZ2 LYS A 26 25.832 -10.870 15.344 1.00 13.33 H new ATOM 0 HZ3 LYS A 26 27.138 -11.947 15.483 1.00 13.33 H new ATOM 384 N ALA A 27 24.909 -8.356 9.926 1.00 64.54 N ATOM 385 CA ALA A 27 24.161 -7.201 9.446 1.00 63.12 C ATOM 386 C ALA A 27 22.669 -7.506 9.371 1.00 0.30 C ATOM 387 O ALA A 27 22.263 -8.561 8.883 1.00 23.21 O ATOM 388 CB ALA A 27 24.682 -6.764 8.084 1.00 15.35 C ATOM 0 H ALA A 27 24.603 -9.248 9.537 1.00 64.54 H new ATOM 0 HA ALA A 27 24.303 -6.386 10.156 1.00 63.12 H new ATOM 0 HB1 ALA A 27 24.114 -5.900 7.737 1.00 15.35 H new ATOM 0 HB2 ALA A 27 25.736 -6.497 8.166 1.00 15.35 H new ATOM 0 HB3 ALA A 27 24.570 -7.582 7.372 1.00 15.35 H new ATOM 394 N THR A 28 21.854 -6.575 9.858 1.00 5.14 N ATOM 395 CA THR A 28 20.407 -6.745 9.849 1.00 40.34 C ATOM 396 C THR A 28 19.739 -5.713 8.947 1.00 35.20 C ATOM 397 O THR A 28 19.590 -4.551 9.321 1.00 12.33 O ATOM 398 CB THR A 28 19.818 -6.628 11.267 1.00 21.51 C ATOM 399 OG1 THR A 28 20.729 -5.926 12.120 1.00 50.23 O ATOM 400 CG2 THR A 28 19.531 -8.005 11.848 1.00 13.32 C ATOM 0 H THR A 28 22.172 -5.695 10.264 1.00 5.14 H new ATOM 0 HA THR A 28 20.209 -7.745 9.463 1.00 40.34 H new ATOM 0 HB THR A 28 18.881 -6.074 11.203 1.00 21.51 H new ATOM 0 HG1 THR A 28 20.346 -5.854 13.019 1.00 50.23 H new ATOM 0 HG21 THR A 28 19.116 -7.898 12.850 1.00 13.32 H new ATOM 0 HG22 THR A 28 18.815 -8.526 11.212 1.00 13.32 H new ATOM 0 HG23 THR A 28 20.456 -8.579 11.898 1.00 13.32 H new ATOM 408 N GLY A 29 19.336 -6.147 7.756 1.00 0.32 N ATOM 409 CA GLY A 29 18.687 -5.248 6.820 1.00 42.31 C ATOM 410 C GLY A 29 17.185 -5.194 7.014 1.00 12.10 C ATOM 411 O GLY A 29 16.555 -6.208 7.316 1.00 12.13 O ATOM 0 H GLY A 29 19.448 -7.105 7.423 1.00 0.32 H new ATOM 0 HA2 GLY A 29 19.101 -4.247 6.936 1.00 42.31 H new ATOM 0 HA3 GLY A 29 18.907 -5.568 5.802 1.00 42.31 H new ATOM 415 N ILE A 30 16.610 -4.009 6.842 1.00 54.42 N ATOM 416 CA ILE A 30 15.172 -3.827 7.001 1.00 61.43 C ATOM 417 C ILE A 30 14.546 -3.259 5.732 1.00 41.13 C ATOM 418 O ILE A 30 14.888 -2.159 5.297 1.00 51.11 O ATOM 419 CB ILE A 30 14.850 -2.893 8.182 1.00 54.12 C ATOM 420 CG1 ILE A 30 13.340 -2.662 8.280 1.00 4.31 C ATOM 421 CG2 ILE A 30 15.585 -1.570 8.026 1.00 33.04 C ATOM 422 CD1 ILE A 30 12.921 -1.940 9.542 1.00 75.24 C ATOM 0 H ILE A 30 17.118 -3.160 6.592 1.00 54.42 H new ATOM 0 HA ILE A 30 14.750 -4.812 7.202 1.00 61.43 H new ATOM 0 HB ILE A 30 15.187 -3.367 9.104 1.00 54.12 H new ATOM 0 HG12 ILE A 30 13.012 -2.086 7.415 1.00 4.31 H new ATOM 0 HG13 ILE A 30 12.829 -3.624 8.235 1.00 4.31 H new ATOM 0 HG21 ILE A 30 15.347 -0.920 8.868 1.00 33.04 H new ATOM 0 HG22 ILE A 30 16.659 -1.752 8.000 1.00 33.04 H new ATOM 0 HG23 ILE A 30 15.275 -1.089 7.098 1.00 33.04 H new ATOM 0 HD11 ILE A 30 11.839 -1.810 9.545 1.00 75.24 H new ATOM 0 HD12 ILE A 30 13.219 -2.525 10.412 1.00 75.24 H new ATOM 0 HD13 ILE A 30 13.403 -0.963 9.580 1.00 75.24 H new ATOM 434 N PHE A 31 13.626 -4.015 5.142 1.00 31.25 N ATOM 435 CA PHE A 31 12.951 -3.587 3.923 1.00 15.31 C ATOM 436 C PHE A 31 11.449 -3.841 4.015 1.00 13.33 C ATOM 437 O PHE A 31 11.000 -4.730 4.740 1.00 44.02 O ATOM 438 CB PHE A 31 13.529 -4.318 2.710 1.00 23.22 C ATOM 439 CG PHE A 31 15.022 -4.480 2.764 1.00 53.45 C ATOM 440 CD1 PHE A 31 15.849 -3.371 2.849 1.00 60.40 C ATOM 441 CD2 PHE A 31 15.597 -5.739 2.728 1.00 62.54 C ATOM 442 CE1 PHE A 31 17.223 -3.516 2.899 1.00 73.44 C ATOM 443 CE2 PHE A 31 16.970 -5.891 2.777 1.00 1.44 C ATOM 444 CZ PHE A 31 17.784 -4.778 2.862 1.00 51.23 C ATOM 0 H PHE A 31 13.331 -4.928 5.489 1.00 31.25 H new ATOM 0 HA PHE A 31 13.115 -2.516 3.805 1.00 15.31 H new ATOM 0 HB2 PHE A 31 13.067 -5.302 2.635 1.00 23.22 H new ATOM 0 HB3 PHE A 31 13.263 -3.771 1.805 1.00 23.22 H new ATOM 0 HD1 PHE A 31 15.415 -2.382 2.876 1.00 60.40 H new ATOM 0 HD2 PHE A 31 14.965 -6.612 2.661 1.00 62.54 H new ATOM 0 HE1 PHE A 31 17.857 -2.644 2.967 1.00 73.44 H new ATOM 0 HE2 PHE A 31 17.406 -6.879 2.749 1.00 1.44 H new ATOM 0 HZ PHE A 31 18.857 -4.894 2.899 1.00 51.23 H new ATOM 454 N THR A 32 10.675 -3.052 3.276 1.00 73.21 N ATOM 455 CA THR A 32 9.224 -3.189 3.275 1.00 73.14 C ATOM 456 C THR A 32 8.795 -4.489 2.604 1.00 73.02 C ATOM 457 O THR A 32 7.640 -4.901 2.710 1.00 74.53 O ATOM 458 CB THR A 32 8.548 -2.006 2.555 1.00 25.31 C ATOM 459 OG1 THR A 32 9.526 -1.015 2.218 1.00 33.33 O ATOM 460 CG2 THR A 32 7.470 -1.385 3.430 1.00 72.32 C ATOM 0 H THR A 32 11.029 -2.311 2.671 1.00 73.21 H new ATOM 0 HA THR A 32 8.907 -3.199 4.318 1.00 73.14 H new ATOM 0 HB THR A 32 8.082 -2.381 1.644 1.00 25.31 H new ATOM 0 HG1 THR A 32 9.087 -0.260 1.774 1.00 33.33 H new ATOM 0 HG21 THR A 32 7.007 -0.552 2.901 1.00 72.32 H new ATOM 0 HG22 THR A 32 6.713 -2.134 3.661 1.00 72.32 H new ATOM 0 HG23 THR A 32 7.917 -1.023 4.356 1.00 72.32 H new ATOM 468 N ASP A 33 9.732 -5.131 1.914 1.00 14.53 N ATOM 469 CA ASP A 33 9.451 -6.386 1.227 1.00 15.22 C ATOM 470 C ASP A 33 9.373 -7.542 2.219 1.00 71.52 C ATOM 471 O ASP A 33 9.101 -8.681 1.840 1.00 54.44 O ATOM 472 CB ASP A 33 10.526 -6.669 0.177 1.00 31.12 C ATOM 473 CG ASP A 33 11.929 -6.485 0.721 1.00 30.13 C ATOM 474 OD1 ASP A 33 12.324 -7.260 1.618 1.00 55.43 O ATOM 475 OD2 ASP A 33 12.632 -5.566 0.251 1.00 22.03 O ATOM 0 H ASP A 33 10.693 -4.803 1.816 1.00 14.53 H new ATOM 0 HA ASP A 33 8.486 -6.292 0.730 1.00 15.22 H new ATOM 0 HB2 ASP A 33 10.412 -7.689 -0.189 1.00 31.12 H new ATOM 0 HB3 ASP A 33 10.380 -6.006 -0.676 1.00 31.12 H new ATOM 480 N ASN A 34 9.615 -7.242 3.491 1.00 64.24 N ATOM 481 CA ASN A 34 9.575 -8.257 4.537 1.00 73.52 C ATOM 482 C ASN A 34 10.437 -9.459 4.163 1.00 60.14 C ATOM 483 O ASN A 34 10.194 -10.576 4.618 1.00 22.54 O ATOM 484 CB ASN A 34 8.133 -8.707 4.784 1.00 23.20 C ATOM 485 CG ASN A 34 7.134 -7.585 4.578 1.00 61.20 C ATOM 486 OD1 ASN A 34 6.506 -7.484 3.524 1.00 31.21 O ATOM 487 ND2 ASN A 34 6.983 -6.735 5.587 1.00 41.01 N ATOM 0 H ASN A 34 9.841 -6.304 3.822 1.00 64.24 H new ATOM 0 HA ASN A 34 9.974 -7.817 5.451 1.00 73.52 H new ATOM 0 HB2 ASN A 34 7.893 -9.532 4.113 1.00 23.20 H new ATOM 0 HB3 ASN A 34 8.043 -9.088 5.801 1.00 23.20 H new ATOM 0 HD21 ASN A 34 6.325 -5.960 5.507 1.00 41.01 H new ATOM 0 HD22 ASN A 34 7.525 -6.857 6.442 1.00 41.01 H new ATOM 494 N SER A 35 11.445 -9.221 3.330 1.00 4.41 N ATOM 495 CA SER A 35 12.342 -10.283 2.892 1.00 65.43 C ATOM 496 C SER A 35 13.780 -9.779 2.804 1.00 73.24 C ATOM 497 O SER A 35 14.333 -9.637 1.714 1.00 24.33 O ATOM 498 CB SER A 35 11.897 -10.828 1.533 1.00 12.12 C ATOM 499 OG SER A 35 10.493 -11.015 1.494 1.00 13.25 O ATOM 0 H SER A 35 11.661 -8.301 2.945 1.00 4.41 H new ATOM 0 HA SER A 35 12.301 -11.085 3.629 1.00 65.43 H new ATOM 0 HB2 SER A 35 12.197 -10.138 0.745 1.00 12.12 H new ATOM 0 HB3 SER A 35 12.399 -11.775 1.335 1.00 12.12 H new ATOM 0 HG SER A 35 10.046 -10.143 1.511 1.00 13.25 H new ATOM 505 N ASN A 36 14.378 -9.510 3.960 1.00 73.33 N ATOM 506 CA ASN A 36 15.751 -9.021 4.014 1.00 34.15 C ATOM 507 C ASN A 36 16.734 -10.177 4.172 1.00 10.11 C ATOM 508 O ASN A 36 16.454 -11.153 4.867 1.00 33.41 O ATOM 509 CB ASN A 36 15.917 -8.034 5.172 1.00 75.13 C ATOM 510 CG ASN A 36 15.339 -8.563 6.470 1.00 21.33 C ATOM 511 OD1 ASN A 36 15.979 -9.344 7.174 1.00 21.44 O ATOM 512 ND2 ASN A 36 14.123 -8.139 6.793 1.00 12.00 N ATOM 0 H ASN A 36 13.934 -9.622 4.871 1.00 73.33 H new ATOM 0 HA ASN A 36 15.966 -8.510 3.076 1.00 34.15 H new ATOM 0 HB2 ASN A 36 16.976 -7.816 5.311 1.00 75.13 H new ATOM 0 HB3 ASN A 36 15.429 -7.093 4.917 1.00 75.13 H new ATOM 0 HD21 ASN A 36 13.683 -8.461 7.655 1.00 12.00 H new ATOM 0 HD22 ASN A 36 13.629 -7.491 6.179 1.00 12.00 H new ATOM 519 N SER A 37 17.887 -10.058 3.522 1.00 24.14 N ATOM 520 CA SER A 37 18.912 -11.094 3.588 1.00 53.15 C ATOM 521 C SER A 37 20.289 -10.482 3.825 1.00 51.13 C ATOM 522 O SER A 37 20.481 -9.277 3.662 1.00 44.12 O ATOM 523 CB SER A 37 18.921 -11.914 2.296 1.00 51.43 C ATOM 524 OG SER A 37 17.952 -12.947 2.340 1.00 10.34 O ATOM 0 H SER A 37 18.135 -9.255 2.944 1.00 24.14 H new ATOM 0 HA SER A 37 18.677 -11.751 4.426 1.00 53.15 H new ATOM 0 HB2 SER A 37 18.723 -11.261 1.446 1.00 51.43 H new ATOM 0 HB3 SER A 37 19.910 -12.345 2.142 1.00 51.43 H new ATOM 0 HG SER A 37 17.977 -13.455 1.502 1.00 10.34 H new ATOM 530 N ASP A 38 21.244 -11.321 4.211 1.00 74.24 N ATOM 531 CA ASP A 38 22.604 -10.865 4.470 1.00 41.32 C ATOM 532 C ASP A 38 23.436 -10.883 3.191 1.00 24.34 C ATOM 533 O ASP A 38 23.518 -11.904 2.507 1.00 1.14 O ATOM 534 CB ASP A 38 23.264 -11.741 5.536 1.00 44.53 C ATOM 535 CG ASP A 38 22.298 -12.146 6.632 1.00 44.14 C ATOM 536 OD1 ASP A 38 21.465 -13.043 6.386 1.00 31.23 O ATOM 537 OD2 ASP A 38 22.377 -11.567 7.735 1.00 54.41 O ATOM 0 H ASP A 38 21.101 -12.321 4.351 1.00 74.24 H new ATOM 0 HA ASP A 38 22.554 -9.839 4.835 1.00 41.32 H new ATOM 0 HB2 ASP A 38 23.671 -12.636 5.066 1.00 44.53 H new ATOM 0 HB3 ASP A 38 24.103 -11.202 5.976 1.00 44.53 H new ATOM 542 N ILE A 39 24.051 -9.749 2.875 1.00 11.50 N ATOM 543 CA ILE A 39 24.876 -9.635 1.679 1.00 24.11 C ATOM 544 C ILE A 39 24.127 -10.126 0.445 1.00 31.12 C ATOM 545 O ILE A 39 24.730 -10.633 -0.501 1.00 42.44 O ATOM 546 CB ILE A 39 26.186 -10.433 1.821 1.00 2.34 C ATOM 547 CG1 ILE A 39 26.777 -10.240 3.219 1.00 1.55 C ATOM 548 CG2 ILE A 39 27.184 -10.007 0.755 1.00 2.31 C ATOM 549 CD1 ILE A 39 26.288 -11.256 4.228 1.00 44.33 C ATOM 0 H ILE A 39 23.994 -8.896 3.431 1.00 11.50 H new ATOM 0 HA ILE A 39 25.114 -8.578 1.560 1.00 24.11 H new ATOM 0 HB ILE A 39 25.966 -11.492 1.683 1.00 2.34 H new ATOM 0 HG12 ILE A 39 27.864 -10.297 3.156 1.00 1.55 H new ATOM 0 HG13 ILE A 39 26.530 -9.240 3.574 1.00 1.55 H new ATOM 0 HG21 ILE A 39 28.104 -10.580 0.869 1.00 2.31 H new ATOM 0 HG22 ILE A 39 26.762 -10.191 -0.233 1.00 2.31 H new ATOM 0 HG23 ILE A 39 27.402 -8.945 0.864 1.00 2.31 H new ATOM 0 HD11 ILE A 39 26.748 -11.058 5.196 1.00 44.33 H new ATOM 0 HD12 ILE A 39 25.204 -11.185 4.320 1.00 44.33 H new ATOM 0 HD13 ILE A 39 26.559 -12.258 3.896 1.00 44.33 H new ATOM 561 N THR A 40 22.806 -9.971 0.461 1.00 65.31 N ATOM 562 CA THR A 40 21.974 -10.398 -0.656 1.00 54.14 C ATOM 563 C THR A 40 22.254 -9.564 -1.901 1.00 64.03 C ATOM 564 O THR A 40 22.118 -10.045 -3.026 1.00 62.42 O ATOM 565 CB THR A 40 20.476 -10.296 -0.312 1.00 32.35 C ATOM 566 OG1 THR A 40 19.740 -11.295 -1.026 1.00 73.31 O ATOM 567 CG2 THR A 40 19.934 -8.917 -0.655 1.00 32.11 C ATOM 0 H THR A 40 22.290 -9.553 1.235 1.00 65.31 H new ATOM 0 HA THR A 40 22.224 -11.440 -0.855 1.00 54.14 H new ATOM 0 HB THR A 40 20.361 -10.457 0.760 1.00 32.35 H new ATOM 0 HG1 THR A 40 18.789 -11.224 -0.801 1.00 73.31 H new ATOM 0 HG21 THR A 40 18.875 -8.869 -0.403 1.00 32.11 H new ATOM 0 HG22 THR A 40 20.476 -8.161 -0.087 1.00 32.11 H new ATOM 0 HG23 THR A 40 20.062 -8.731 -1.721 1.00 32.11 H new ATOM 575 N ASP A 41 22.648 -8.312 -1.693 1.00 34.42 N ATOM 576 CA ASP A 41 22.950 -7.412 -2.799 1.00 54.51 C ATOM 577 C ASP A 41 24.445 -7.405 -3.102 1.00 12.45 C ATOM 578 O ASP A 41 24.917 -6.621 -3.925 1.00 31.21 O ATOM 579 CB ASP A 41 22.476 -5.994 -2.475 1.00 13.05 C ATOM 580 CG ASP A 41 21.326 -5.552 -3.358 1.00 13.52 C ATOM 581 OD1 ASP A 41 20.161 -5.824 -2.997 1.00 63.23 O ATOM 582 OD2 ASP A 41 21.590 -4.932 -4.409 1.00 40.20 O ATOM 0 H ASP A 41 22.766 -7.898 -0.768 1.00 34.42 H new ATOM 0 HA ASP A 41 22.421 -7.771 -3.682 1.00 54.51 H new ATOM 0 HB2 ASP A 41 22.167 -5.947 -1.431 1.00 13.05 H new ATOM 0 HB3 ASP A 41 23.308 -5.300 -2.593 1.00 13.05 H new ATOM 587 N GLN A 42 25.183 -8.281 -2.429 1.00 65.41 N ATOM 588 CA GLN A 42 26.625 -8.374 -2.625 1.00 64.32 C ATOM 589 C GLN A 42 27.322 -7.104 -2.150 1.00 43.43 C ATOM 590 O GLN A 42 27.759 -6.284 -2.958 1.00 42.22 O ATOM 591 CB GLN A 42 26.946 -8.625 -4.100 1.00 33.22 C ATOM 592 CG GLN A 42 28.338 -9.188 -4.333 1.00 25.04 C ATOM 593 CD GLN A 42 28.482 -9.848 -5.690 1.00 11.12 C ATOM 594 OE1 GLN A 42 29.244 -9.386 -6.540 1.00 74.30 O ATOM 595 NE2 GLN A 42 27.749 -10.935 -5.900 1.00 54.24 N ATOM 0 H GLN A 42 24.807 -8.936 -1.744 1.00 65.41 H new ATOM 0 HA GLN A 42 26.993 -9.212 -2.033 1.00 64.32 H new ATOM 0 HB2 GLN A 42 26.210 -9.316 -4.511 1.00 33.22 H new ATOM 0 HB3 GLN A 42 26.845 -7.689 -4.649 1.00 33.22 H new ATOM 0 HG2 GLN A 42 29.070 -8.385 -4.244 1.00 25.04 H new ATOM 0 HG3 GLN A 42 28.567 -9.915 -3.554 1.00 25.04 H new ATOM 0 HE21 GLN A 42 27.131 -11.283 -5.167 1.00 54.24 H new ATOM 0 HE22 GLN A 42 27.804 -11.422 -6.794 1.00 54.24 H new ATOM 604 N VAL A 43 27.423 -6.946 -0.834 1.00 55.02 N ATOM 605 CA VAL A 43 28.067 -5.775 -0.251 1.00 60.33 C ATOM 606 C VAL A 43 29.497 -5.625 -0.759 1.00 31.55 C ATOM 607 O VAL A 43 30.192 -6.615 -0.993 1.00 10.25 O ATOM 608 CB VAL A 43 28.085 -5.852 1.287 1.00 61.01 C ATOM 609 CG1 VAL A 43 28.522 -4.522 1.883 1.00 33.50 C ATOM 610 CG2 VAL A 43 26.718 -6.260 1.816 1.00 41.44 C ATOM 0 H VAL A 43 27.067 -7.615 -0.151 1.00 55.02 H new ATOM 0 HA VAL A 43 27.483 -4.907 -0.557 1.00 60.33 H new ATOM 0 HB VAL A 43 28.807 -6.612 1.587 1.00 61.01 H new ATOM 0 HG11 VAL A 43 28.529 -4.595 2.971 1.00 33.50 H new ATOM 0 HG12 VAL A 43 29.523 -4.276 1.530 1.00 33.50 H new ATOM 0 HG13 VAL A 43 27.827 -3.740 1.576 1.00 33.50 H new ATOM 0 HG21 VAL A 43 26.749 -6.309 2.904 1.00 41.44 H new ATOM 0 HG22 VAL A 43 25.974 -5.525 1.507 1.00 41.44 H new ATOM 0 HG23 VAL A 43 26.450 -7.238 1.416 1.00 41.44 H new ATOM 620 N THR A 44 29.932 -4.381 -0.927 1.00 1.54 N ATOM 621 CA THR A 44 31.279 -4.100 -1.407 1.00 23.12 C ATOM 622 C THR A 44 32.267 -4.007 -0.250 1.00 1.24 C ATOM 623 O THR A 44 32.207 -3.079 0.557 1.00 52.42 O ATOM 624 CB THR A 44 31.326 -2.789 -2.214 1.00 64.21 C ATOM 625 OG1 THR A 44 30.328 -2.809 -3.240 1.00 74.40 O ATOM 626 CG2 THR A 44 32.699 -2.588 -2.839 1.00 54.41 C ATOM 0 H THR A 44 29.370 -3.551 -0.738 1.00 1.54 H new ATOM 0 HA THR A 44 31.562 -4.928 -2.057 1.00 23.12 H new ATOM 0 HB THR A 44 31.129 -1.961 -1.533 1.00 64.21 H new ATOM 0 HG1 THR A 44 30.363 -1.971 -3.747 1.00 74.40 H new ATOM 0 HG21 THR A 44 32.709 -1.656 -3.404 1.00 54.41 H new ATOM 0 HG22 THR A 44 33.453 -2.544 -2.053 1.00 54.41 H new ATOM 0 HG23 THR A 44 32.920 -3.420 -3.508 1.00 54.41 H new ATOM 634 N TRP A 45 33.176 -4.973 -0.174 1.00 55.43 N ATOM 635 CA TRP A 45 34.178 -4.998 0.885 1.00 34.22 C ATOM 636 C TRP A 45 35.566 -4.706 0.328 1.00 25.40 C ATOM 637 O TRP A 45 35.843 -4.968 -0.843 1.00 22.23 O ATOM 638 CB TRP A 45 34.172 -6.357 1.588 1.00 14.53 C ATOM 639 CG TRP A 45 34.125 -7.516 0.640 1.00 64.12 C ATOM 640 CD1 TRP A 45 33.036 -8.280 0.331 1.00 11.33 C ATOM 641 CD2 TRP A 45 35.217 -8.044 -0.122 1.00 33.54 C ATOM 642 NE1 TRP A 45 33.384 -9.251 -0.576 1.00 42.11 N ATOM 643 CE2 TRP A 45 34.716 -9.127 -0.871 1.00 23.54 C ATOM 644 CE3 TRP A 45 36.567 -7.707 -0.245 1.00 61.02 C ATOM 645 CZ2 TRP A 45 35.520 -9.874 -1.728 1.00 42.42 C ATOM 646 CZ3 TRP A 45 37.364 -8.449 -1.097 1.00 13.34 C ATOM 647 CH2 TRP A 45 36.839 -9.521 -1.830 1.00 34.23 C ATOM 0 H TRP A 45 33.239 -5.749 -0.833 1.00 55.43 H new ATOM 0 HA TRP A 45 33.927 -4.222 1.608 1.00 34.22 H new ATOM 0 HB2 TRP A 45 35.064 -6.441 2.209 1.00 14.53 H new ATOM 0 HB3 TRP A 45 33.312 -6.408 2.256 1.00 14.53 H new ATOM 0 HD1 TRP A 45 32.046 -8.141 0.740 1.00 11.33 H new ATOM 0 HE1 TRP A 45 32.753 -9.951 -0.967 1.00 42.11 H new ATOM 0 HE3 TRP A 45 36.981 -6.882 0.315 1.00 61.02 H new ATOM 0 HZ2 TRP A 45 35.118 -10.702 -2.292 1.00 42.42 H new ATOM 0 HZ3 TRP A 45 38.409 -8.198 -1.199 1.00 13.34 H new ATOM 0 HH2 TRP A 45 37.487 -10.080 -2.488 1.00 34.23 H new ATOM 658 N ASP A 46 36.436 -4.164 1.173 1.00 41.41 N ATOM 659 CA ASP A 46 37.797 -3.838 0.764 1.00 5.44 C ATOM 660 C ASP A 46 38.752 -3.902 1.953 1.00 15.51 C ATOM 661 O ASP A 46 38.383 -3.558 3.076 1.00 5.13 O ATOM 662 CB ASP A 46 37.843 -2.446 0.132 1.00 45.20 C ATOM 663 CG ASP A 46 38.104 -2.496 -1.361 1.00 31.53 C ATOM 664 OD1 ASP A 46 37.130 -2.640 -2.128 1.00 35.40 O ATOM 665 OD2 ASP A 46 39.282 -2.393 -1.762 1.00 24.25 O ATOM 0 H ASP A 46 36.223 -3.941 2.145 1.00 41.41 H new ATOM 0 HA ASP A 46 38.114 -4.574 0.026 1.00 5.44 H new ATOM 0 HB2 ASP A 46 36.898 -1.935 0.316 1.00 45.20 H new ATOM 0 HB3 ASP A 46 38.623 -1.857 0.615 1.00 45.20 H new ATOM 670 N SER A 47 39.978 -4.345 1.698 1.00 44.34 N ATOM 671 CA SER A 47 40.984 -4.459 2.747 1.00 0.54 C ATOM 672 C SER A 47 42.273 -3.748 2.345 1.00 55.43 C ATOM 673 O SER A 47 42.601 -3.656 1.162 1.00 74.42 O ATOM 674 CB SER A 47 41.273 -5.930 3.049 1.00 60.44 C ATOM 675 OG SER A 47 41.795 -6.090 4.356 1.00 32.44 O ATOM 0 H SER A 47 40.299 -4.631 0.773 1.00 44.34 H new ATOM 0 HA SER A 47 40.591 -3.982 3.645 1.00 0.54 H new ATOM 0 HB2 SER A 47 40.357 -6.512 2.946 1.00 60.44 H new ATOM 0 HB3 SER A 47 41.983 -6.321 2.320 1.00 60.44 H new ATOM 0 HG SER A 47 41.406 -6.890 4.768 1.00 32.44 H new ATOM 681 N SER A 48 42.999 -3.245 3.338 1.00 31.10 N ATOM 682 CA SER A 48 44.250 -2.539 3.089 1.00 51.44 C ATOM 683 C SER A 48 45.194 -3.388 2.243 1.00 41.41 C ATOM 684 O SER A 48 44.924 -4.558 1.977 1.00 52.11 O ATOM 685 CB SER A 48 44.924 -2.169 4.411 1.00 22.54 C ATOM 686 OG SER A 48 44.668 -0.819 4.755 1.00 41.31 O ATOM 0 H SER A 48 42.742 -3.313 4.323 1.00 31.10 H new ATOM 0 HA SER A 48 44.020 -1.626 2.540 1.00 51.44 H new ATOM 0 HB2 SER A 48 44.561 -2.824 5.203 1.00 22.54 H new ATOM 0 HB3 SER A 48 45.999 -2.329 4.332 1.00 22.54 H new ATOM 0 HG SER A 48 45.109 -0.609 5.605 1.00 41.31 H new ATOM 692 N ASN A 49 46.304 -2.788 1.823 1.00 14.14 N ATOM 693 CA ASN A 49 47.289 -3.488 1.007 1.00 12.21 C ATOM 694 C ASN A 49 48.669 -3.435 1.655 1.00 11.42 C ATOM 695 O ASN A 49 49.647 -3.026 1.028 1.00 11.42 O ATOM 696 CB ASN A 49 47.347 -2.877 -0.394 1.00 43.24 C ATOM 697 CG ASN A 49 46.099 -3.169 -1.205 1.00 3.31 C ATOM 698 OD1 ASN A 49 45.882 -4.297 -1.646 1.00 61.31 O ATOM 699 ND2 ASN A 49 45.272 -2.149 -1.405 1.00 30.32 N ATOM 0 H ASN A 49 46.543 -1.819 2.034 1.00 14.14 H new ATOM 0 HA ASN A 49 46.984 -4.532 0.929 1.00 12.21 H new ATOM 0 HB2 ASN A 49 47.479 -1.798 -0.312 1.00 43.24 H new ATOM 0 HB3 ASN A 49 48.218 -3.266 -0.921 1.00 43.24 H new ATOM 0 HD21 ASN A 49 44.416 -2.284 -1.943 1.00 30.32 H new ATOM 0 HD22 ASN A 49 45.493 -1.231 -1.020 1.00 30.32 H new ATOM 706 N THR A 50 48.741 -3.851 2.916 1.00 64.44 N ATOM 707 CA THR A 50 50.001 -3.851 3.650 1.00 75.15 C ATOM 708 C THR A 50 50.832 -5.085 3.316 1.00 13.41 C ATOM 709 O THR A 50 51.925 -4.977 2.761 1.00 3.51 O ATOM 710 CB THR A 50 49.764 -3.801 5.171 1.00 60.32 C ATOM 711 OG1 THR A 50 48.702 -2.890 5.472 1.00 53.41 O ATOM 712 CG2 THR A 50 51.028 -3.374 5.901 1.00 1.13 C ATOM 0 H THR A 50 47.942 -4.192 3.450 1.00 64.44 H new ATOM 0 HA THR A 50 50.545 -2.957 3.345 1.00 75.15 H new ATOM 0 HB THR A 50 49.489 -4.801 5.507 1.00 60.32 H new ATOM 0 HG1 THR A 50 48.377 -3.056 6.381 1.00 53.41 H new ATOM 0 HG21 THR A 50 50.837 -3.346 6.974 1.00 1.13 H new ATOM 0 HG22 THR A 50 51.826 -4.086 5.693 1.00 1.13 H new ATOM 0 HG23 THR A 50 51.328 -2.383 5.560 1.00 1.13 H new ATOM 720 N ASP A 51 50.306 -6.256 3.657 1.00 23.01 N ATOM 721 CA ASP A 51 51.000 -7.511 3.392 1.00 74.30 C ATOM 722 C ASP A 51 50.078 -8.504 2.690 1.00 14.34 C ATOM 723 O ASP A 51 50.284 -8.840 1.524 1.00 23.11 O ATOM 724 CB ASP A 51 51.522 -8.116 4.696 1.00 12.43 C ATOM 725 CG ASP A 51 52.630 -9.124 4.464 1.00 34.34 C ATOM 726 OD1 ASP A 51 52.590 -9.821 3.429 1.00 34.11 O ATOM 727 OD2 ASP A 51 53.536 -9.218 5.319 1.00 40.54 O ATOM 0 H ASP A 51 49.402 -6.363 4.117 1.00 23.01 H new ATOM 0 HA ASP A 51 51.844 -7.299 2.736 1.00 74.30 H new ATOM 0 HB2 ASP A 51 51.890 -7.318 5.341 1.00 12.43 H new ATOM 0 HB3 ASP A 51 50.700 -8.599 5.224 1.00 12.43 H new ATOM 732 N ILE A 52 49.061 -8.969 3.409 1.00 43.02 N ATOM 733 CA ILE A 52 48.108 -9.923 2.855 1.00 42.41 C ATOM 734 C ILE A 52 46.788 -9.887 3.617 1.00 2.55 C ATOM 735 O ILE A 52 46.641 -10.532 4.656 1.00 35.11 O ATOM 736 CB ILE A 52 48.666 -11.358 2.884 1.00 1.25 C ATOM 737 CG1 ILE A 52 47.578 -12.360 2.493 1.00 13.54 C ATOM 738 CG2 ILE A 52 49.221 -11.682 4.263 1.00 3.03 C ATOM 739 CD1 ILE A 52 46.947 -12.072 1.149 1.00 15.02 C ATOM 0 H ILE A 52 48.876 -8.701 4.376 1.00 43.02 H new ATOM 0 HA ILE A 52 47.935 -9.630 1.819 1.00 42.41 H new ATOM 0 HB ILE A 52 49.478 -11.431 2.160 1.00 1.25 H new ATOM 0 HG12 ILE A 52 48.007 -13.362 2.477 1.00 13.54 H new ATOM 0 HG13 ILE A 52 46.801 -12.358 3.258 1.00 13.54 H new ATOM 0 HG21 ILE A 52 49.612 -12.700 4.268 1.00 3.03 H new ATOM 0 HG22 ILE A 52 50.022 -10.984 4.506 1.00 3.03 H new ATOM 0 HG23 ILE A 52 48.427 -11.595 5.005 1.00 3.03 H new ATOM 0 HD11 ILE A 52 46.185 -12.822 0.937 1.00 15.02 H new ATOM 0 HD12 ILE A 52 46.488 -11.083 1.167 1.00 15.02 H new ATOM 0 HD13 ILE A 52 47.712 -12.103 0.374 1.00 15.02 H new ATOM 751 N LEU A 53 45.830 -9.129 3.095 1.00 60.22 N ATOM 752 CA LEU A 53 44.520 -9.010 3.725 1.00 12.11 C ATOM 753 C LEU A 53 43.416 -9.464 2.776 1.00 74.40 C ATOM 754 O LEU A 53 43.320 -8.987 1.645 1.00 34.14 O ATOM 755 CB LEU A 53 44.271 -7.565 4.160 1.00 0.33 C ATOM 756 CG LEU A 53 45.490 -6.801 4.679 1.00 13.22 C ATOM 757 CD1 LEU A 53 45.163 -5.325 4.848 1.00 73.21 C ATOM 758 CD2 LEU A 53 45.972 -7.396 5.994 1.00 11.22 C ATOM 0 H LEU A 53 45.936 -8.588 2.237 1.00 60.22 H new ATOM 0 HA LEU A 53 44.507 -9.655 4.603 1.00 12.11 H new ATOM 0 HB2 LEU A 53 43.858 -7.018 3.313 1.00 0.33 H new ATOM 0 HB3 LEU A 53 43.510 -7.567 4.940 1.00 0.33 H new ATOM 0 HG LEU A 53 46.291 -6.893 3.946 1.00 13.22 H new ATOM 0 HD11 LEU A 53 46.042 -4.798 5.218 1.00 73.21 H new ATOM 0 HD12 LEU A 53 44.866 -4.906 3.887 1.00 73.21 H new ATOM 0 HD13 LEU A 53 44.346 -5.213 5.561 1.00 73.21 H new ATOM 0 HD21 LEU A 53 46.840 -6.840 6.349 1.00 11.22 H new ATOM 0 HD22 LEU A 53 45.175 -7.335 6.735 1.00 11.22 H new ATOM 0 HD23 LEU A 53 46.247 -8.440 5.842 1.00 11.22 H new ATOM 770 N SER A 54 42.583 -10.388 3.244 1.00 32.45 N ATOM 771 CA SER A 54 41.486 -10.909 2.437 1.00 53.31 C ATOM 772 C SER A 54 40.217 -11.051 3.272 1.00 54.23 C ATOM 773 O SER A 54 40.175 -11.821 4.231 1.00 21.25 O ATOM 774 CB SER A 54 41.866 -12.262 1.833 1.00 44.45 C ATOM 775 OG SER A 54 41.925 -12.190 0.418 1.00 30.15 O ATOM 0 H SER A 54 42.647 -10.791 4.179 1.00 32.45 H new ATOM 0 HA SER A 54 41.293 -10.201 1.631 1.00 53.31 H new ATOM 0 HB2 SER A 54 42.832 -12.580 2.225 1.00 44.45 H new ATOM 0 HB3 SER A 54 41.137 -13.015 2.132 1.00 44.45 H new ATOM 0 HG SER A 54 42.171 -13.067 0.056 1.00 30.15 H new ATOM 781 N ILE A 55 39.184 -10.302 2.899 1.00 70.41 N ATOM 782 CA ILE A 55 37.913 -10.345 3.612 1.00 63.23 C ATOM 783 C ILE A 55 36.790 -10.836 2.704 1.00 23.35 C ATOM 784 O ILE A 55 36.596 -10.319 1.605 1.00 72.04 O ATOM 785 CB ILE A 55 37.536 -8.962 4.174 1.00 42.33 C ATOM 786 CG1 ILE A 55 37.621 -7.900 3.075 1.00 70.42 C ATOM 787 CG2 ILE A 55 38.443 -8.598 5.340 1.00 64.53 C ATOM 788 CD1 ILE A 55 37.278 -6.507 3.553 1.00 4.21 C ATOM 0 H ILE A 55 39.202 -9.659 2.108 1.00 70.41 H new ATOM 0 HA ILE A 55 38.039 -11.042 4.440 1.00 63.23 H new ATOM 0 HB ILE A 55 36.509 -9.002 4.537 1.00 42.33 H new ATOM 0 HG12 ILE A 55 38.630 -7.896 2.663 1.00 70.42 H new ATOM 0 HG13 ILE A 55 36.946 -8.173 2.264 1.00 70.42 H new ATOM 0 HG21 ILE A 55 38.164 -7.618 5.726 1.00 64.53 H new ATOM 0 HG22 ILE A 55 38.337 -9.342 6.129 1.00 64.53 H new ATOM 0 HG23 ILE A 55 39.479 -8.573 5.001 1.00 64.53 H new ATOM 0 HD11 ILE A 55 37.359 -5.807 2.722 1.00 4.21 H new ATOM 0 HD12 ILE A 55 36.259 -6.495 3.939 1.00 4.21 H new ATOM 0 HD13 ILE A 55 37.968 -6.213 4.344 1.00 4.21 H new ATOM 800 N SER A 56 36.052 -11.837 3.174 1.00 24.22 N ATOM 801 CA SER A 56 34.949 -12.400 2.405 1.00 62.14 C ATOM 802 C SER A 56 33.650 -12.351 3.202 1.00 14.23 C ATOM 803 O SER A 56 33.604 -12.763 4.361 1.00 54.35 O ATOM 804 CB SER A 56 35.262 -13.844 2.006 1.00 12.30 C ATOM 805 OG SER A 56 36.394 -13.904 1.156 1.00 20.30 O ATOM 0 H SER A 56 36.198 -12.274 4.084 1.00 24.22 H new ATOM 0 HA SER A 56 34.824 -11.800 1.503 1.00 62.14 H new ATOM 0 HB2 SER A 56 35.443 -14.441 2.900 1.00 12.30 H new ATOM 0 HB3 SER A 56 34.400 -14.280 1.501 1.00 12.30 H new ATOM 0 HG SER A 56 36.574 -14.837 0.917 1.00 20.30 H new ATOM 811 N ASN A 57 32.595 -11.843 2.572 1.00 30.25 N ATOM 812 CA ASN A 57 31.294 -11.739 3.223 1.00 53.23 C ATOM 813 C ASN A 57 30.335 -12.803 2.696 1.00 44.41 C ATOM 814 O ASN A 57 29.619 -12.579 1.721 1.00 51.02 O ATOM 815 CB ASN A 57 30.700 -10.346 3.001 1.00 73.43 C ATOM 816 CG ASN A 57 31.657 -9.239 3.398 1.00 70.31 C ATOM 817 OD1 ASN A 57 32.707 -9.494 3.988 1.00 0.41 O ATOM 818 ND2 ASN A 57 31.297 -8.002 3.075 1.00 24.42 N ATOM 0 H ASN A 57 32.616 -11.497 1.613 1.00 30.25 H new ATOM 0 HA ASN A 57 31.436 -11.901 4.292 1.00 53.23 H new ATOM 0 HB2 ASN A 57 30.432 -10.232 1.951 1.00 73.43 H new ATOM 0 HB3 ASN A 57 29.780 -10.251 3.577 1.00 73.43 H new ATOM 0 HD21 ASN A 57 31.900 -7.216 3.316 1.00 24.42 H new ATOM 0 HD22 ASN A 57 30.417 -7.838 2.586 1.00 24.42 H new ATOM 825 N ALA A 58 30.328 -13.960 3.349 1.00 63.23 N ATOM 826 CA ALA A 58 29.457 -15.058 2.948 1.00 13.33 C ATOM 827 C ALA A 58 28.013 -14.588 2.806 1.00 32.31 C ATOM 828 O ALA A 58 27.519 -13.812 3.624 1.00 42.12 O ATOM 829 CB ALA A 58 29.547 -16.197 3.953 1.00 51.21 C ATOM 0 H ALA A 58 30.916 -14.161 4.158 1.00 63.23 H new ATOM 0 HA ALA A 58 29.792 -15.419 1.976 1.00 13.33 H new ATOM 0 HB1 ALA A 58 28.892 -17.010 3.641 1.00 51.21 H new ATOM 0 HB2 ALA A 58 30.574 -16.558 4.003 1.00 51.21 H new ATOM 0 HB3 ALA A 58 29.240 -15.840 4.936 1.00 51.21 H new ATOM 835 N SER A 59 27.341 -15.064 1.762 1.00 11.34 N ATOM 836 CA SER A 59 25.954 -14.689 1.511 1.00 44.32 C ATOM 837 C SER A 59 25.009 -15.450 2.436 1.00 43.43 C ATOM 838 O SER A 59 23.860 -15.053 2.630 1.00 41.01 O ATOM 839 CB SER A 59 25.587 -14.962 0.051 1.00 50.41 C ATOM 840 OG SER A 59 24.877 -16.181 -0.077 1.00 22.52 O ATOM 0 H SER A 59 27.734 -15.709 1.077 1.00 11.34 H new ATOM 0 HA SER A 59 25.849 -13.623 1.712 1.00 44.32 H new ATOM 0 HB2 SER A 59 24.981 -14.142 -0.334 1.00 50.41 H new ATOM 0 HB3 SER A 59 26.493 -15.000 -0.554 1.00 50.41 H new ATOM 0 HG SER A 59 24.653 -16.332 -1.019 1.00 22.52 H new ATOM 846 N ASP A 60 25.502 -16.545 3.003 1.00 2.24 N ATOM 847 CA ASP A 60 24.703 -17.362 3.909 1.00 23.21 C ATOM 848 C ASP A 60 24.073 -16.505 5.002 1.00 3.33 C ATOM 849 O ASP A 60 22.864 -16.554 5.224 1.00 34.40 O ATOM 850 CB ASP A 60 25.566 -18.458 4.537 1.00 44.21 C ATOM 851 CG ASP A 60 25.314 -19.819 3.919 1.00 31.01 C ATOM 852 OD1 ASP A 60 24.271 -20.429 4.234 1.00 53.30 O ATOM 853 OD2 ASP A 60 26.160 -20.275 3.121 1.00 32.13 O ATOM 0 H ASP A 60 26.451 -16.888 2.852 1.00 2.24 H new ATOM 0 HA ASP A 60 23.904 -17.826 3.331 1.00 23.21 H new ATOM 0 HB2 ASP A 60 26.618 -18.199 4.421 1.00 44.21 H new ATOM 0 HB3 ASP A 60 25.366 -18.506 5.607 1.00 44.21 H new ATOM 858 N SER A 61 24.902 -15.720 5.683 1.00 3.20 N ATOM 859 CA SER A 61 24.427 -14.855 6.757 1.00 42.13 C ATOM 860 C SER A 61 25.576 -14.045 7.351 1.00 71.25 C ATOM 861 O SER A 61 25.708 -12.849 7.089 1.00 62.22 O ATOM 862 CB SER A 61 23.755 -15.687 7.851 1.00 45.31 C ATOM 863 OG SER A 61 24.550 -16.807 8.200 1.00 2.34 O ATOM 0 H SER A 61 25.906 -15.665 5.510 1.00 3.20 H new ATOM 0 HA SER A 61 23.697 -14.163 6.337 1.00 42.13 H new ATOM 0 HB2 SER A 61 23.587 -15.068 8.732 1.00 45.31 H new ATOM 0 HB3 SER A 61 22.777 -16.024 7.507 1.00 45.31 H new ATOM 0 HG SER A 61 24.100 -17.322 8.902 1.00 2.34 H new ATOM 869 N HIS A 62 26.405 -14.706 8.152 1.00 20.32 N ATOM 870 CA HIS A 62 27.544 -14.049 8.784 1.00 72.22 C ATOM 871 C HIS A 62 28.737 -13.999 7.835 1.00 63.14 C ATOM 872 O HIS A 62 28.914 -14.882 6.997 1.00 62.43 O ATOM 873 CB HIS A 62 27.931 -14.779 10.071 1.00 41.44 C ATOM 874 CG HIS A 62 28.676 -16.056 9.834 1.00 44.00 C ATOM 875 ND1 HIS A 62 28.079 -17.194 9.335 1.00 64.25 N ATOM 876 CD2 HIS A 62 29.978 -16.371 10.030 1.00 42.34 C ATOM 877 CE1 HIS A 62 28.981 -18.154 9.235 1.00 63.31 C ATOM 878 NE2 HIS A 62 30.142 -17.680 9.650 1.00 21.10 N ATOM 0 H HIS A 62 26.310 -15.696 8.379 1.00 20.32 H new ATOM 0 HA HIS A 62 27.253 -13.027 9.028 1.00 72.22 H new ATOM 0 HB2 HIS A 62 28.545 -14.118 10.683 1.00 41.44 H new ATOM 0 HB3 HIS A 62 27.028 -14.995 10.642 1.00 41.44 H new ATOM 0 HD2 HIS A 62 30.745 -15.715 10.414 1.00 42.34 H new ATOM 0 HE1 HIS A 62 28.800 -19.156 8.875 1.00 63.31 H new ATOM 0 HE2 HIS A 62 31.018 -18.202 9.683 1.00 21.10 H new ATOM 886 N GLY A 63 29.554 -12.958 7.972 1.00 74.51 N ATOM 887 CA GLY A 63 30.719 -12.812 7.120 1.00 71.34 C ATOM 888 C GLY A 63 31.939 -13.515 7.680 1.00 23.14 C ATOM 889 O GLY A 63 31.871 -14.147 8.735 1.00 31.24 O ATOM 0 H GLY A 63 29.429 -12.214 8.658 1.00 74.51 H new ATOM 0 HA2 GLY A 63 30.495 -13.213 6.131 1.00 71.34 H new ATOM 0 HA3 GLY A 63 30.941 -11.753 6.992 1.00 71.34 H new ATOM 893 N LEU A 64 33.059 -13.407 6.974 1.00 71.33 N ATOM 894 CA LEU A 64 34.301 -14.039 7.406 1.00 34.23 C ATOM 895 C LEU A 64 35.512 -13.289 6.862 1.00 71.14 C ATOM 896 O LEU A 64 35.896 -13.466 5.706 1.00 30.30 O ATOM 897 CB LEU A 64 34.341 -15.498 6.947 1.00 54.34 C ATOM 898 CG LEU A 64 33.998 -15.748 5.478 1.00 65.15 C ATOM 899 CD1 LEU A 64 34.768 -16.948 4.947 1.00 12.03 C ATOM 900 CD2 LEU A 64 32.501 -15.955 5.306 1.00 15.35 C ATOM 0 H LEU A 64 33.133 -12.887 6.099 1.00 71.33 H new ATOM 0 HA LEU A 64 34.336 -14.006 8.495 1.00 34.23 H new ATOM 0 HB2 LEU A 64 35.339 -15.891 7.138 1.00 54.34 H new ATOM 0 HB3 LEU A 64 33.649 -16.071 7.564 1.00 54.34 H new ATOM 0 HG LEU A 64 34.291 -14.870 4.903 1.00 65.15 H new ATOM 0 HD11 LEU A 64 34.511 -17.111 3.900 1.00 12.03 H new ATOM 0 HD12 LEU A 64 35.838 -16.761 5.033 1.00 12.03 H new ATOM 0 HD13 LEU A 64 34.507 -17.833 5.527 1.00 12.03 H new ATOM 0 HD21 LEU A 64 32.277 -16.131 4.254 1.00 15.35 H new ATOM 0 HD22 LEU A 64 32.183 -16.816 5.894 1.00 15.35 H new ATOM 0 HD23 LEU A 64 31.969 -15.066 5.646 1.00 15.35 H new ATOM 912 N ALA A 65 36.111 -12.452 7.703 1.00 75.41 N ATOM 913 CA ALA A 65 37.281 -11.679 7.307 1.00 12.33 C ATOM 914 C ALA A 65 38.558 -12.281 7.884 1.00 54.11 C ATOM 915 O ALA A 65 38.604 -12.656 9.055 1.00 5.34 O ATOM 916 CB ALA A 65 37.131 -10.231 7.751 1.00 51.15 C ATOM 0 H ALA A 65 35.805 -12.292 8.663 1.00 75.41 H new ATOM 0 HA ALA A 65 37.355 -11.709 6.220 1.00 12.33 H new ATOM 0 HB1 ALA A 65 38.012 -9.665 7.449 1.00 51.15 H new ATOM 0 HB2 ALA A 65 36.245 -9.798 7.287 1.00 51.15 H new ATOM 0 HB3 ALA A 65 37.029 -10.192 8.835 1.00 51.15 H new ATOM 922 N SER A 66 39.591 -12.372 7.053 1.00 3.42 N ATOM 923 CA SER A 66 40.868 -12.933 7.480 1.00 52.13 C ATOM 924 C SER A 66 42.022 -12.015 7.090 1.00 3.21 C ATOM 925 O SER A 66 42.088 -11.524 5.962 1.00 4.05 O ATOM 926 CB SER A 66 41.072 -14.318 6.862 1.00 12.32 C ATOM 927 OG SER A 66 42.207 -14.961 7.415 1.00 2.54 O ATOM 0 H SER A 66 39.569 -12.065 6.081 1.00 3.42 H new ATOM 0 HA SER A 66 40.852 -13.026 8.566 1.00 52.13 H new ATOM 0 HB2 SER A 66 40.185 -14.929 7.031 1.00 12.32 H new ATOM 0 HB3 SER A 66 41.193 -14.224 5.783 1.00 12.32 H new ATOM 0 HG SER A 66 42.143 -14.954 8.393 1.00 2.54 H new ATOM 933 N THR A 67 42.932 -11.786 8.032 1.00 22.21 N ATOM 934 CA THR A 67 44.084 -10.927 7.790 1.00 51.43 C ATOM 935 C THR A 67 45.315 -11.436 8.530 1.00 4.41 C ATOM 936 O THR A 67 45.226 -11.872 9.678 1.00 33.43 O ATOM 937 CB THR A 67 43.803 -9.475 8.222 1.00 75.22 C ATOM 938 OG1 THR A 67 43.310 -9.451 9.566 1.00 23.03 O ATOM 939 CG2 THR A 67 42.790 -8.821 7.294 1.00 41.11 C ATOM 0 H THR A 67 42.893 -12.184 8.970 1.00 22.21 H new ATOM 0 HA THR A 67 44.274 -10.949 6.717 1.00 51.43 H new ATOM 0 HB THR A 67 44.737 -8.916 8.167 1.00 75.22 H new ATOM 0 HG1 THR A 67 43.135 -8.525 9.834 1.00 23.03 H new ATOM 0 HG21 THR A 67 42.607 -7.797 7.619 1.00 41.11 H new ATOM 0 HG22 THR A 67 43.180 -8.815 6.276 1.00 41.11 H new ATOM 0 HG23 THR A 67 41.856 -9.382 7.322 1.00 41.11 H new ATOM 947 N LEU A 68 46.465 -11.376 7.867 1.00 30.11 N ATOM 948 CA LEU A 68 47.716 -11.831 8.463 1.00 4.34 C ATOM 949 C LEU A 68 48.879 -10.942 8.033 1.00 10.13 C ATOM 950 O LEU A 68 49.626 -11.281 7.117 1.00 43.01 O ATOM 951 CB LEU A 68 47.995 -13.282 8.067 1.00 3.35 C ATOM 952 CG LEU A 68 49.365 -13.834 8.463 1.00 44.22 C ATOM 953 CD1 LEU A 68 49.213 -14.999 9.428 1.00 70.42 C ATOM 954 CD2 LEU A 68 50.145 -14.260 7.228 1.00 62.14 C ATOM 0 H LEU A 68 46.557 -11.017 6.917 1.00 30.11 H new ATOM 0 HA LEU A 68 47.617 -11.769 9.547 1.00 4.34 H new ATOM 0 HB2 LEU A 68 47.228 -13.914 8.515 1.00 3.35 H new ATOM 0 HB3 LEU A 68 47.889 -13.369 6.986 1.00 3.35 H new ATOM 0 HG LEU A 68 49.922 -13.044 8.966 1.00 44.22 H new ATOM 0 HD11 LEU A 68 50.198 -15.378 9.698 1.00 70.42 H new ATOM 0 HD12 LEU A 68 48.695 -14.662 10.326 1.00 70.42 H new ATOM 0 HD13 LEU A 68 48.637 -15.793 8.952 1.00 70.42 H new ATOM 0 HD21 LEU A 68 51.117 -14.650 7.528 1.00 62.14 H new ATOM 0 HD22 LEU A 68 49.591 -15.035 6.697 1.00 62.14 H new ATOM 0 HD23 LEU A 68 50.286 -13.401 6.572 1.00 62.14 H new ATOM 966 N ASN A 69 49.026 -9.803 8.703 1.00 21.42 N ATOM 967 CA ASN A 69 50.099 -8.866 8.391 1.00 21.24 C ATOM 968 C ASN A 69 50.670 -8.249 9.665 1.00 72.43 C ATOM 969 O ASN A 69 49.998 -8.195 10.694 1.00 31.43 O ATOM 970 CB ASN A 69 49.587 -7.764 7.462 1.00 3.43 C ATOM 971 CG ASN A 69 48.896 -6.645 8.218 1.00 24.02 C ATOM 972 OD1 ASN A 69 47.848 -6.990 8.956 1.00 23.13 O flip ATOM 973 ND2 ASN A 69 49.301 -5.485 8.139 1.00 13.33 N flip ATOM 0 H ASN A 69 48.416 -9.507 9.465 1.00 21.42 H new ATOM 0 HA ASN A 69 50.894 -9.416 7.887 1.00 21.24 H new ATOM 0 HB2 ASN A 69 50.422 -7.354 6.895 1.00 3.43 H new ATOM 0 HB3 ASN A 69 48.892 -8.194 6.741 1.00 3.43 H new ATOM 0 HD21 ASN A 69 50.111 -5.266 7.559 1.00 13.33 H new ATOM 0 HD22 ASN A 69 48.827 -4.743 8.654 1.00 13.33 H new ATOM 980 N GLN A 70 51.913 -7.786 9.585 1.00 12.44 N ATOM 981 CA GLN A 70 52.574 -7.173 10.732 1.00 54.34 C ATOM 982 C GLN A 70 52.410 -5.657 10.708 1.00 51.42 C ATOM 983 O GLN A 70 53.375 -4.921 10.504 1.00 31.12 O ATOM 984 CB GLN A 70 54.059 -7.537 10.746 1.00 62.05 C ATOM 985 CG GLN A 70 54.321 -9.017 10.976 1.00 55.24 C ATOM 986 CD GLN A 70 55.064 -9.664 9.824 1.00 5.11 C ATOM 987 OE1 GLN A 70 54.479 -10.395 9.024 1.00 3.23 O ATOM 988 NE2 GLN A 70 56.362 -9.398 9.734 1.00 64.25 N ATOM 0 H GLN A 70 52.482 -7.823 8.740 1.00 12.44 H new ATOM 0 HA GLN A 70 52.105 -7.557 11.638 1.00 54.34 H new ATOM 0 HB2 GLN A 70 54.506 -7.241 9.797 1.00 62.05 H new ATOM 0 HB3 GLN A 70 54.558 -6.963 11.527 1.00 62.05 H new ATOM 0 HG2 GLN A 70 54.899 -9.142 11.892 1.00 55.24 H new ATOM 0 HG3 GLN A 70 53.372 -9.531 11.126 1.00 55.24 H new ATOM 0 HE21 GLN A 70 56.806 -8.787 10.419 1.00 64.25 H new ATOM 0 HE22 GLN A 70 56.915 -9.805 8.980 1.00 64.25 H new ATOM 997 N GLY A 71 51.180 -5.195 10.917 1.00 25.40 N ATOM 998 CA GLY A 71 50.913 -3.769 10.915 1.00 72.11 C ATOM 999 C GLY A 71 49.468 -3.450 11.243 1.00 11.25 C ATOM 1000 O GLY A 71 48.965 -3.834 12.298 1.00 32.41 O ATOM 0 H GLY A 71 50.364 -5.783 11.088 1.00 25.40 H new ATOM 0 HA2 GLY A 71 51.564 -3.280 11.640 1.00 72.11 H new ATOM 0 HA3 GLY A 71 51.160 -3.358 9.936 1.00 72.11 H new ATOM 1004 N ASN A 72 48.799 -2.743 10.338 1.00 2.34 N ATOM 1005 CA ASN A 72 47.404 -2.370 10.539 1.00 54.44 C ATOM 1006 C ASN A 72 46.570 -2.697 9.303 1.00 23.44 C ATOM 1007 O ASN A 72 47.099 -2.813 8.197 1.00 14.14 O ATOM 1008 CB ASN A 72 47.294 -0.878 10.860 1.00 11.24 C ATOM 1009 CG ASN A 72 47.572 -0.004 9.653 1.00 50.23 C ATOM 1010 OD1 ASN A 72 48.707 0.415 9.424 1.00 53.41 O ATOM 1011 ND2 ASN A 72 46.534 0.275 8.873 1.00 11.30 N ATOM 0 H ASN A 72 49.200 -2.417 9.459 1.00 2.34 H new ATOM 0 HA ASN A 72 47.018 -2.946 11.380 1.00 54.44 H new ATOM 0 HB2 ASN A 72 46.294 -0.663 11.238 1.00 11.24 H new ATOM 0 HB3 ASN A 72 47.996 -0.628 11.656 1.00 11.24 H new ATOM 0 HD21 ASN A 72 46.660 0.858 8.046 1.00 11.30 H new ATOM 0 HD22 ASN A 72 45.611 -0.094 9.101 1.00 11.30 H new ATOM 1018 N VAL A 73 45.264 -2.846 9.500 1.00 51.42 N ATOM 1019 CA VAL A 73 44.356 -3.158 8.402 1.00 25.22 C ATOM 1020 C VAL A 73 43.109 -2.283 8.454 1.00 44.21 C ATOM 1021 O VAL A 73 42.550 -2.042 9.524 1.00 2.40 O ATOM 1022 CB VAL A 73 43.933 -4.639 8.429 1.00 54.31 C ATOM 1023 CG1 VAL A 73 43.057 -4.965 7.228 1.00 25.54 C ATOM 1024 CG2 VAL A 73 45.156 -5.542 8.469 1.00 72.10 C ATOM 0 H VAL A 73 44.811 -2.756 10.409 1.00 51.42 H new ATOM 0 HA VAL A 73 44.897 -2.959 7.477 1.00 25.22 H new ATOM 0 HB VAL A 73 43.350 -4.817 9.333 1.00 54.31 H new ATOM 0 HG11 VAL A 73 42.767 -6.015 7.263 1.00 25.54 H new ATOM 0 HG12 VAL A 73 42.163 -4.341 7.249 1.00 25.54 H new ATOM 0 HG13 VAL A 73 43.612 -4.772 6.310 1.00 25.54 H new ATOM 0 HG21 VAL A 73 44.838 -6.584 8.488 1.00 72.10 H new ATOM 0 HG22 VAL A 73 45.768 -5.365 7.585 1.00 72.10 H new ATOM 0 HG23 VAL A 73 45.740 -5.325 9.363 1.00 72.10 H new ATOM 1034 N LYS A 74 42.677 -1.809 7.290 1.00 21.22 N ATOM 1035 CA LYS A 74 41.494 -0.961 7.201 1.00 63.35 C ATOM 1036 C LYS A 74 40.422 -1.613 6.333 1.00 21.23 C ATOM 1037 O LYS A 74 40.550 -1.673 5.110 1.00 23.13 O ATOM 1038 CB LYS A 74 41.866 0.408 6.628 1.00 54.34 C ATOM 1039 CG LYS A 74 40.684 1.353 6.496 1.00 12.30 C ATOM 1040 CD LYS A 74 40.036 1.627 7.843 1.00 72.30 C ATOM 1041 CE LYS A 74 38.598 1.131 7.881 1.00 42.43 C ATOM 1042 NZ LYS A 74 37.623 2.249 7.747 1.00 31.23 N ATOM 0 H LYS A 74 43.129 -1.998 6.395 1.00 21.22 H new ATOM 0 HA LYS A 74 41.093 -0.831 8.206 1.00 63.35 H new ATOM 0 HB2 LYS A 74 42.619 0.868 7.268 1.00 54.34 H new ATOM 0 HB3 LYS A 74 42.322 0.271 5.648 1.00 54.34 H new ATOM 0 HG2 LYS A 74 41.016 2.292 6.053 1.00 12.30 H new ATOM 0 HG3 LYS A 74 39.947 0.923 5.817 1.00 12.30 H new ATOM 0 HD2 LYS A 74 40.611 1.140 8.630 1.00 72.30 H new ATOM 0 HD3 LYS A 74 40.058 2.697 8.048 1.00 72.30 H new ATOM 0 HE2 LYS A 74 38.440 0.413 7.077 1.00 42.43 H new ATOM 0 HE3 LYS A 74 38.420 0.604 8.818 1.00 42.43 H new ATOM 0 HZ1 LYS A 74 36.655 1.877 7.828 1.00 31.23 H new ATOM 0 HZ2 LYS A 74 37.790 2.947 8.499 1.00 31.23 H new ATOM 0 HZ3 LYS A 74 37.742 2.704 6.819 1.00 31.23 H new ATOM 1056 N VAL A 75 39.364 -2.099 6.974 1.00 32.41 N ATOM 1057 CA VAL A 75 38.268 -2.744 6.261 1.00 71.42 C ATOM 1058 C VAL A 75 37.048 -1.833 6.187 1.00 44.44 C ATOM 1059 O VAL A 75 36.718 -1.138 7.149 1.00 45.14 O ATOM 1060 CB VAL A 75 37.864 -4.070 6.933 1.00 71.01 C ATOM 1061 CG1 VAL A 75 36.662 -4.682 6.229 1.00 43.53 C ATOM 1062 CG2 VAL A 75 39.036 -5.040 6.945 1.00 51.25 C ATOM 0 H VAL A 75 39.243 -2.058 7.986 1.00 32.41 H new ATOM 0 HA VAL A 75 38.626 -2.950 5.252 1.00 71.42 H new ATOM 0 HB VAL A 75 37.583 -3.863 7.965 1.00 71.01 H new ATOM 0 HG11 VAL A 75 36.392 -5.618 6.718 1.00 43.53 H new ATOM 0 HG12 VAL A 75 35.821 -3.991 6.278 1.00 43.53 H new ATOM 0 HG13 VAL A 75 36.911 -4.877 5.186 1.00 43.53 H new ATOM 0 HG21 VAL A 75 38.733 -5.971 7.423 1.00 51.25 H new ATOM 0 HG22 VAL A 75 39.350 -5.244 5.921 1.00 51.25 H new ATOM 0 HG23 VAL A 75 39.866 -4.601 7.499 1.00 51.25 H new ATOM 1072 N THR A 76 36.380 -1.839 5.037 1.00 21.33 N ATOM 1073 CA THR A 76 35.197 -1.013 4.836 1.00 12.43 C ATOM 1074 C THR A 76 34.137 -1.756 4.032 1.00 33.31 C ATOM 1075 O THR A 76 34.450 -2.442 3.059 1.00 13.03 O ATOM 1076 CB THR A 76 35.546 0.302 4.113 1.00 71.54 C ATOM 1077 OG1 THR A 76 35.824 0.042 2.732 1.00 33.31 O ATOM 1078 CG2 THR A 76 36.748 0.973 4.759 1.00 22.34 C ATOM 0 H THR A 76 36.639 -2.407 4.231 1.00 21.33 H new ATOM 0 HA THR A 76 34.802 -0.781 5.825 1.00 12.43 H new ATOM 0 HB THR A 76 34.690 0.972 4.192 1.00 71.54 H new ATOM 0 HG1 THR A 76 36.043 0.883 2.279 1.00 33.31 H new ATOM 0 HG21 THR A 76 36.975 1.899 4.231 1.00 22.34 H new ATOM 0 HG22 THR A 76 36.523 1.196 5.802 1.00 22.34 H new ATOM 0 HG23 THR A 76 37.608 0.306 4.707 1.00 22.34 H new ATOM 1086 N ALA A 77 32.881 -1.615 4.444 1.00 21.41 N ATOM 1087 CA ALA A 77 31.774 -2.272 3.760 1.00 63.03 C ATOM 1088 C ALA A 77 30.499 -1.442 3.857 1.00 34.24 C ATOM 1089 O ALA A 77 30.182 -0.895 4.914 1.00 70.23 O ATOM 1090 CB ALA A 77 31.548 -3.662 4.336 1.00 55.12 C ATOM 0 H ALA A 77 32.605 -1.052 5.248 1.00 21.41 H new ATOM 0 HA ALA A 77 32.035 -2.366 2.706 1.00 63.03 H new ATOM 0 HB1 ALA A 77 30.718 -4.141 3.816 1.00 55.12 H new ATOM 0 HB2 ALA A 77 32.450 -4.260 4.208 1.00 55.12 H new ATOM 0 HB3 ALA A 77 31.313 -3.582 5.397 1.00 55.12 H new ATOM 1096 N SER A 78 29.770 -1.352 2.749 1.00 23.41 N ATOM 1097 CA SER A 78 28.531 -0.585 2.709 1.00 31.11 C ATOM 1098 C SER A 78 27.535 -1.212 1.738 1.00 32.24 C ATOM 1099 O SER A 78 27.903 -1.639 0.644 1.00 63.22 O ATOM 1100 CB SER A 78 28.815 0.862 2.302 1.00 61.01 C ATOM 1101 OG SER A 78 29.259 0.936 0.958 1.00 33.10 O ATOM 0 H SER A 78 30.016 -1.801 1.867 1.00 23.41 H new ATOM 0 HA SER A 78 28.094 -0.595 3.708 1.00 31.11 H new ATOM 0 HB2 SER A 78 27.913 1.461 2.424 1.00 61.01 H new ATOM 0 HB3 SER A 78 29.571 1.287 2.962 1.00 61.01 H new ATOM 0 HG SER A 78 29.432 1.871 0.722 1.00 33.10 H new ATOM 1107 N ILE A 79 26.272 -1.264 2.148 1.00 51.11 N ATOM 1108 CA ILE A 79 25.222 -1.837 1.315 1.00 22.51 C ATOM 1109 C ILE A 79 23.948 -1.003 1.385 1.00 74.22 C ATOM 1110 O ILE A 79 23.585 -0.492 2.443 1.00 31.14 O ATOM 1111 CB ILE A 79 24.899 -3.284 1.733 1.00 31.04 C ATOM 1112 CG1 ILE A 79 23.730 -3.827 0.909 1.00 33.24 C ATOM 1113 CG2 ILE A 79 24.581 -3.347 3.220 1.00 71.02 C ATOM 1114 CD1 ILE A 79 23.428 -5.285 1.177 1.00 70.14 C ATOM 0 H ILE A 79 25.951 -0.916 3.052 1.00 51.11 H new ATOM 0 HA ILE A 79 25.596 -1.838 0.291 1.00 22.51 H new ATOM 0 HB ILE A 79 25.773 -3.906 1.542 1.00 31.04 H new ATOM 0 HG12 ILE A 79 22.840 -3.235 1.122 1.00 33.24 H new ATOM 0 HG13 ILE A 79 23.952 -3.699 -0.150 1.00 33.24 H new ATOM 0 HG21 ILE A 79 24.355 -4.376 3.500 1.00 71.02 H new ATOM 0 HG22 ILE A 79 25.440 -2.996 3.791 1.00 71.02 H new ATOM 0 HG23 ILE A 79 23.720 -2.715 3.435 1.00 71.02 H new ATOM 0 HD11 ILE A 79 22.588 -5.602 0.559 1.00 70.14 H new ATOM 0 HD12 ILE A 79 24.304 -5.888 0.937 1.00 70.14 H new ATOM 0 HD13 ILE A 79 23.174 -5.417 2.229 1.00 70.14 H new ATOM 1126 N GLY A 80 23.270 -0.871 0.248 1.00 22.03 N ATOM 1127 CA GLY A 80 22.042 -0.099 0.202 1.00 20.32 C ATOM 1128 C GLY A 80 22.232 1.323 0.691 1.00 63.12 C ATOM 1129 O GLY A 80 23.071 2.058 0.171 1.00 13.33 O ATOM 0 H GLY A 80 23.550 -1.285 -0.641 1.00 22.03 H new ATOM 0 HA2 GLY A 80 21.666 -0.081 -0.821 1.00 20.32 H new ATOM 0 HA3 GLY A 80 21.284 -0.591 0.811 1.00 20.32 H new ATOM 1133 N GLY A 81 21.450 1.713 1.693 1.00 60.31 N ATOM 1134 CA GLY A 81 21.551 3.056 2.234 1.00 73.35 C ATOM 1135 C GLY A 81 22.190 3.081 3.608 1.00 40.03 C ATOM 1136 O GLY A 81 21.576 3.529 4.577 1.00 44.24 O ATOM 0 H GLY A 81 20.748 1.123 2.140 1.00 60.31 H new ATOM 0 HA2 GLY A 81 22.135 3.675 1.554 1.00 73.35 H new ATOM 0 HA3 GLY A 81 20.556 3.497 2.291 1.00 73.35 H new ATOM 1140 N ILE A 82 23.425 2.598 3.693 1.00 33.30 N ATOM 1141 CA ILE A 82 24.147 2.567 4.959 1.00 35.50 C ATOM 1142 C ILE A 82 25.644 2.389 4.734 1.00 62.33 C ATOM 1143 O ILE A 82 26.068 1.848 3.713 1.00 74.04 O ATOM 1144 CB ILE A 82 23.638 1.433 5.869 1.00 13.34 C ATOM 1145 CG1 ILE A 82 23.766 1.834 7.340 1.00 5.43 C ATOM 1146 CG2 ILE A 82 24.406 0.149 5.596 1.00 73.22 C ATOM 1147 CD1 ILE A 82 22.455 2.249 7.971 1.00 63.53 C ATOM 0 H ILE A 82 23.946 2.223 2.901 1.00 33.30 H new ATOM 0 HA ILE A 82 23.967 3.524 5.449 1.00 35.50 H new ATOM 0 HB ILE A 82 22.585 1.257 5.650 1.00 13.34 H new ATOM 0 HG12 ILE A 82 24.181 0.997 7.901 1.00 5.43 H new ATOM 0 HG13 ILE A 82 24.476 2.657 7.423 1.00 5.43 H new ATOM 0 HG21 ILE A 82 24.035 -0.643 6.247 1.00 73.22 H new ATOM 0 HG22 ILE A 82 24.268 -0.143 4.555 1.00 73.22 H new ATOM 0 HG23 ILE A 82 25.466 0.311 5.790 1.00 73.22 H new ATOM 0 HD11 ILE A 82 22.623 2.520 9.014 1.00 63.53 H new ATOM 0 HD12 ILE A 82 22.048 3.106 7.435 1.00 63.53 H new ATOM 0 HD13 ILE A 82 21.748 1.421 7.920 1.00 63.53 H new ATOM 1159 N GLN A 83 26.440 2.846 5.695 1.00 40.11 N ATOM 1160 CA GLN A 83 27.891 2.736 5.601 1.00 10.34 C ATOM 1161 C GLN A 83 28.480 2.192 6.898 1.00 24.34 C ATOM 1162 O GLN A 83 28.113 2.626 7.989 1.00 22.13 O ATOM 1163 CB GLN A 83 28.507 4.099 5.280 1.00 21.00 C ATOM 1164 CG GLN A 83 28.342 5.119 6.395 1.00 52.54 C ATOM 1165 CD GLN A 83 28.979 6.454 6.063 1.00 41.42 C ATOM 1166 OE1 GLN A 83 28.304 7.386 5.623 1.00 31.44 O ATOM 1167 NE2 GLN A 83 30.287 6.555 6.272 1.00 74.30 N ATOM 0 H GLN A 83 26.105 3.296 6.547 1.00 40.11 H new ATOM 0 HA GLN A 83 28.126 2.040 4.796 1.00 10.34 H new ATOM 0 HB2 GLN A 83 29.569 3.969 5.072 1.00 21.00 H new ATOM 0 HB3 GLN A 83 28.050 4.490 4.371 1.00 21.00 H new ATOM 0 HG2 GLN A 83 27.280 5.266 6.593 1.00 52.54 H new ATOM 0 HG3 GLN A 83 28.786 4.726 7.310 1.00 52.54 H new ATOM 0 HE21 GLN A 83 30.808 5.758 6.638 1.00 74.30 H new ATOM 0 HE22 GLN A 83 30.770 7.429 6.067 1.00 74.30 H new ATOM 1176 N GLY A 84 29.397 1.237 6.771 1.00 20.23 N ATOM 1177 CA GLY A 84 30.022 0.648 7.941 1.00 1.12 C ATOM 1178 C GLY A 84 31.533 0.760 7.909 1.00 64.51 C ATOM 1179 O GLY A 84 32.131 0.877 6.839 1.00 3.44 O ATOM 0 H GLY A 84 29.718 0.861 5.879 1.00 20.23 H new ATOM 0 HA2 GLY A 84 29.643 1.139 8.837 1.00 1.12 H new ATOM 0 HA3 GLY A 84 29.740 -0.403 8.010 1.00 1.12 H new ATOM 1183 N SER A 85 32.153 0.724 9.084 1.00 21.23 N ATOM 1184 CA SER A 85 33.604 0.827 9.187 1.00 41.21 C ATOM 1185 C SER A 85 34.142 -0.119 10.256 1.00 71.43 C ATOM 1186 O SER A 85 33.592 -0.213 11.354 1.00 50.14 O ATOM 1187 CB SER A 85 34.012 2.266 9.511 1.00 23.52 C ATOM 1188 OG SER A 85 32.981 2.944 10.207 1.00 71.11 O ATOM 0 H SER A 85 31.673 0.624 9.978 1.00 21.23 H new ATOM 0 HA SER A 85 34.033 0.542 8.226 1.00 41.21 H new ATOM 0 HB2 SER A 85 34.920 2.263 10.113 1.00 23.52 H new ATOM 0 HB3 SER A 85 34.243 2.798 8.588 1.00 23.52 H new ATOM 0 HG SER A 85 33.267 3.860 10.404 1.00 71.11 H new ATOM 1194 N THR A 86 35.222 -0.821 9.926 1.00 21.15 N ATOM 1195 CA THR A 86 35.835 -1.762 10.856 1.00 40.32 C ATOM 1196 C THR A 86 37.356 -1.684 10.794 1.00 41.32 C ATOM 1197 O THR A 86 37.938 -1.578 9.714 1.00 2.52 O ATOM 1198 CB THR A 86 35.394 -3.208 10.563 1.00 21.34 C ATOM 1199 OG1 THR A 86 36.322 -4.130 11.145 1.00 23.44 O ATOM 1200 CG2 THR A 86 35.300 -3.453 9.065 1.00 63.10 C ATOM 0 H THR A 86 35.690 -0.756 9.022 1.00 21.15 H new ATOM 0 HA THR A 86 35.500 -1.483 11.855 1.00 40.32 H new ATOM 0 HB THR A 86 34.408 -3.359 11.002 1.00 21.34 H new ATOM 0 HG1 THR A 86 36.235 -4.110 12.121 1.00 23.44 H new ATOM 0 HG21 THR A 86 34.987 -4.481 8.883 1.00 63.10 H new ATOM 0 HG22 THR A 86 34.571 -2.769 8.630 1.00 63.10 H new ATOM 0 HG23 THR A 86 36.275 -3.284 8.607 1.00 63.10 H new ATOM 1208 N ASP A 87 37.994 -1.738 11.958 1.00 45.35 N ATOM 1209 CA ASP A 87 39.449 -1.675 12.035 1.00 23.02 C ATOM 1210 C ASP A 87 40.025 -3.001 12.521 1.00 22.42 C ATOM 1211 O ASP A 87 39.537 -3.585 13.489 1.00 0.44 O ATOM 1212 CB ASP A 87 39.883 -0.544 12.969 1.00 43.23 C ATOM 1213 CG ASP A 87 41.374 -0.560 13.244 1.00 41.35 C ATOM 1214 OD1 ASP A 87 42.155 -0.380 12.286 1.00 24.33 O ATOM 1215 OD2 ASP A 87 41.760 -0.752 14.416 1.00 74.41 O ATOM 0 H ASP A 87 37.527 -1.825 12.861 1.00 45.35 H new ATOM 0 HA ASP A 87 39.833 -1.477 11.034 1.00 23.02 H new ATOM 0 HB2 ASP A 87 39.608 0.414 12.527 1.00 43.23 H new ATOM 0 HB3 ASP A 87 39.342 -0.627 13.911 1.00 43.23 H new ATOM 1220 N PHE A 88 41.066 -3.473 11.842 1.00 35.21 N ATOM 1221 CA PHE A 88 41.707 -4.732 12.203 1.00 31.12 C ATOM 1222 C PHE A 88 43.207 -4.539 12.408 1.00 73.31 C ATOM 1223 O PHE A 88 43.938 -4.226 11.468 1.00 23.34 O ATOM 1224 CB PHE A 88 41.460 -5.784 11.120 1.00 34.00 C ATOM 1225 CG PHE A 88 40.204 -6.580 11.333 1.00 71.10 C ATOM 1226 CD1 PHE A 88 38.985 -6.112 10.870 1.00 35.23 C ATOM 1227 CD2 PHE A 88 40.243 -7.796 11.995 1.00 31.43 C ATOM 1228 CE1 PHE A 88 37.827 -6.842 11.066 1.00 65.42 C ATOM 1229 CE2 PHE A 88 39.089 -8.531 12.193 1.00 21.34 C ATOM 1230 CZ PHE A 88 37.880 -8.054 11.727 1.00 70.01 C ATOM 0 H PHE A 88 41.483 -3.002 11.039 1.00 35.21 H new ATOM 0 HA PHE A 88 41.271 -5.077 13.141 1.00 31.12 H new ATOM 0 HB2 PHE A 88 41.407 -5.290 10.150 1.00 34.00 H new ATOM 0 HB3 PHE A 88 42.311 -6.465 11.085 1.00 34.00 H new ATOM 0 HD1 PHE A 88 38.939 -5.166 10.350 1.00 35.23 H new ATOM 0 HD2 PHE A 88 41.186 -8.174 12.361 1.00 31.43 H new ATOM 0 HE1 PHE A 88 36.882 -6.465 10.703 1.00 65.42 H new ATOM 0 HE2 PHE A 88 39.133 -9.477 12.712 1.00 21.34 H new ATOM 0 HZ PHE A 88 36.977 -8.627 11.879 1.00 70.01 H new ATOM 1240 N LYS A 89 43.658 -4.728 13.643 1.00 1.12 N ATOM 1241 CA LYS A 89 45.070 -4.576 13.974 1.00 61.01 C ATOM 1242 C LYS A 89 45.728 -5.935 14.189 1.00 72.45 C ATOM 1243 O LYS A 89 45.462 -6.615 15.180 1.00 23.10 O ATOM 1244 CB LYS A 89 45.231 -3.716 15.229 1.00 5.41 C ATOM 1245 CG LYS A 89 45.573 -2.266 14.933 1.00 53.52 C ATOM 1246 CD LYS A 89 46.967 -2.130 14.344 1.00 53.15 C ATOM 1247 CE LYS A 89 48.036 -2.180 15.424 1.00 11.32 C ATOM 1248 NZ LYS A 89 48.747 -0.878 15.561 1.00 30.53 N ATOM 0 H LYS A 89 43.066 -4.987 14.432 1.00 1.12 H new ATOM 0 HA LYS A 89 45.562 -4.082 13.136 1.00 61.01 H new ATOM 0 HB2 LYS A 89 44.306 -3.752 15.805 1.00 5.41 H new ATOM 0 HB3 LYS A 89 46.014 -4.145 15.855 1.00 5.41 H new ATOM 0 HG2 LYS A 89 44.842 -1.854 14.238 1.00 53.52 H new ATOM 0 HG3 LYS A 89 45.506 -1.681 15.850 1.00 53.52 H new ATOM 0 HD2 LYS A 89 47.138 -2.930 13.624 1.00 53.15 H new ATOM 0 HD3 LYS A 89 47.043 -1.189 13.799 1.00 53.15 H new ATOM 0 HE2 LYS A 89 47.578 -2.446 16.377 1.00 11.32 H new ATOM 0 HE3 LYS A 89 48.756 -2.964 15.187 1.00 11.32 H new ATOM 0 HZ1 LYS A 89 49.468 -0.953 16.307 1.00 30.53 H new ATOM 0 HZ2 LYS A 89 49.206 -0.636 14.659 1.00 30.53 H new ATOM 0 HZ3 LYS A 89 48.065 -0.135 15.812 1.00 30.53 H new ATOM 1262 N VAL A 90 46.589 -6.326 13.254 1.00 55.34 N ATOM 1263 CA VAL A 90 47.286 -7.603 13.342 1.00 3.21 C ATOM 1264 C VAL A 90 48.739 -7.407 13.760 1.00 64.30 C ATOM 1265 O VAL A 90 49.569 -6.955 12.970 1.00 23.14 O ATOM 1266 CB VAL A 90 47.247 -8.358 12.000 1.00 33.24 C ATOM 1267 CG1 VAL A 90 47.910 -9.721 12.135 1.00 53.43 C ATOM 1268 CG2 VAL A 90 45.813 -8.500 11.511 1.00 2.43 C ATOM 0 H VAL A 90 46.820 -5.776 12.427 1.00 55.34 H new ATOM 0 HA VAL A 90 46.769 -8.195 14.098 1.00 3.21 H new ATOM 0 HB VAL A 90 47.804 -7.781 11.261 1.00 33.24 H new ATOM 0 HG11 VAL A 90 47.873 -10.240 11.177 1.00 53.43 H new ATOM 0 HG12 VAL A 90 48.949 -9.592 12.438 1.00 53.43 H new ATOM 0 HG13 VAL A 90 47.383 -10.309 12.887 1.00 53.43 H new ATOM 0 HG21 VAL A 90 45.804 -9.036 10.562 1.00 2.43 H new ATOM 0 HG22 VAL A 90 45.231 -9.055 12.247 1.00 2.43 H new ATOM 0 HG23 VAL A 90 45.376 -7.511 11.374 1.00 2.43 H new ATOM 1278 N THR A 91 49.042 -7.751 15.008 1.00 61.40 N ATOM 1279 CA THR A 91 50.395 -7.613 15.532 1.00 30.51 C ATOM 1280 C THR A 91 51.098 -8.964 15.603 1.00 74.41 C ATOM 1281 O THR A 91 50.465 -10.011 15.462 1.00 1.42 O ATOM 1282 CB THR A 91 50.392 -6.975 16.934 1.00 70.11 C ATOM 1283 OG1 THR A 91 49.633 -7.785 17.839 1.00 5.33 O ATOM 1284 CG2 THR A 91 49.807 -5.572 16.888 1.00 15.22 C ATOM 0 H THR A 91 48.368 -8.127 15.675 1.00 61.40 H new ATOM 0 HA THR A 91 50.935 -6.961 14.845 1.00 30.51 H new ATOM 0 HB THR A 91 51.423 -6.910 17.282 1.00 70.11 H new ATOM 0 HG1 THR A 91 49.637 -7.374 18.728 1.00 5.33 H new ATOM 0 HG21 THR A 91 49.815 -5.141 17.889 1.00 15.22 H new ATOM 0 HG22 THR A 91 50.404 -4.950 16.221 1.00 15.22 H new ATOM 0 HG23 THR A 91 48.782 -5.617 16.521 1.00 15.22 H new ATOM 1292 N GLN A 92 52.408 -8.934 15.822 1.00 1.23 N ATOM 1293 CA GLN A 92 53.196 -10.158 15.912 1.00 50.53 C ATOM 1294 C GLN A 92 53.327 -10.616 17.360 1.00 2.14 C ATOM 1295 O GLN A 92 53.822 -11.710 17.634 1.00 0.11 O ATOM 1296 CB GLN A 92 54.583 -9.941 15.305 1.00 25.31 C ATOM 1297 CG GLN A 92 55.316 -8.738 15.876 1.00 2.10 C ATOM 1298 CD GLN A 92 55.671 -7.714 14.816 1.00 1.10 C ATOM 1299 OE1 GLN A 92 56.600 -7.911 14.033 1.00 44.15 O ATOM 1300 NE2 GLN A 92 54.931 -6.612 14.786 1.00 51.12 N ATOM 0 H GLN A 92 52.947 -8.076 15.940 1.00 1.23 H new ATOM 0 HA GLN A 92 52.679 -10.936 15.350 1.00 50.53 H new ATOM 0 HB2 GLN A 92 55.186 -10.834 15.469 1.00 25.31 H new ATOM 0 HB3 GLN A 92 54.483 -9.817 14.227 1.00 25.31 H new ATOM 0 HG2 GLN A 92 54.695 -8.267 16.638 1.00 2.10 H new ATOM 0 HG3 GLN A 92 56.227 -9.074 16.371 1.00 2.10 H new ATOM 0 HE21 GLN A 92 54.170 -6.490 15.454 1.00 51.12 H new ATOM 0 HE22 GLN A 92 55.123 -5.887 14.094 1.00 51.12 H new TER 1309 GLN A 92