USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 863 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= -0.107 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.064 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -136:sc= -0.0132 (180deg=-0.309) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00209 X(o=-0.0021,f=0) USER MOD Single : A 28 THR OG1 : rot -40:sc= -2.47 USER MOD Single : A 30 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.8!) USER MOD Single : A 31 SER OG : rot -70:sc= -0.951 USER MOD Single : A 33 GLN : amide:sc= -1 X(o=-1,f=-0.81) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0436) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.899 K(o=0.9,f=-1.2) USER MOD Single : A 51 TYR OH : rot 80:sc= -1.3 USER MOD Single : A 52 GLN : amide:sc= -3.08! X(o=-3.1!,f=-3.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0455 X(o=-0.045,f=-0.026) USER MOD Single : A 59 SER OG : rot 180:sc= 0.885 USER MOD Single : A 62 SER OG : rot -160:sc= -0.131 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 66 TYR OH : rot 77:sc= 0.188 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -143:sc= -2.03 (180deg=-2.92) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 18:sc= 0.49 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 91 TYR OH : rot -80:sc= -1.21 USER MOD Single : A 96 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 99 ASN : amide:sc= -5.78! C(o=-5.8!,f=-18!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 120:sc= -2.01! USER MOD Single : A 108 SER OG : rot 180:sc= 0.0952 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.279 F(o=-1.2,f=-0.28) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 178:sc= 0.372 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.683 20.156 30.286 1.00 0.00 N ATOM 2 CA GLY A 1 22.872 19.107 29.692 1.00 0.00 C ATOM 3 C GLY A 1 23.590 18.464 28.504 1.00 0.00 C ATOM 4 O GLY A 1 24.805 18.592 28.365 1.00 0.00 O ATOM 0 H1 GLY A 1 23.936 19.890 31.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.550 20.284 29.726 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.145 21.046 30.299 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.649 18.347 30.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.919 19.521 29.364 1.00 0.00 H new ATOM 8 N SER A 2 22.807 17.787 27.676 1.00 0.00 N ATOM 9 CA SER A 2 23.353 17.124 26.504 1.00 0.00 C ATOM 10 C SER A 2 22.280 17.012 25.419 1.00 0.00 C ATOM 11 O SER A 2 21.087 17.039 25.716 1.00 0.00 O ATOM 12 CB SER A 2 23.896 15.738 26.858 1.00 0.00 C ATOM 13 OG SER A 2 22.870 14.865 27.321 1.00 0.00 O ATOM 0 H SER A 2 21.799 17.684 27.794 1.00 0.00 H new ATOM 0 HA SER A 2 24.181 17.724 26.127 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.375 15.302 25.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.664 15.835 27.626 1.00 0.00 H new ATOM 0 HG SER A 2 23.257 13.990 27.535 1.00 0.00 H new ATOM 19 N SER A 3 22.743 16.889 24.184 1.00 0.00 N ATOM 20 CA SER A 3 21.838 16.773 23.053 1.00 0.00 C ATOM 21 C SER A 3 22.637 16.635 21.756 1.00 0.00 C ATOM 22 O SER A 3 23.766 17.115 21.663 1.00 0.00 O ATOM 23 CB SER A 3 20.899 17.978 22.973 1.00 0.00 C ATOM 24 OG SER A 3 21.607 19.191 22.732 1.00 0.00 O ATOM 0 H SER A 3 23.734 16.867 23.941 1.00 0.00 H new ATOM 0 HA SER A 3 21.228 15.881 23.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.171 17.819 22.177 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.339 18.064 23.904 1.00 0.00 H new ATOM 0 HG SER A 3 20.973 19.936 22.686 1.00 0.00 H new ATOM 30 N GLY A 4 22.020 15.978 20.785 1.00 0.00 N ATOM 31 CA GLY A 4 22.659 15.771 19.497 1.00 0.00 C ATOM 32 C GLY A 4 21.973 14.647 18.718 1.00 0.00 C ATOM 33 O GLY A 4 21.241 13.844 19.295 1.00 0.00 O ATOM 0 H GLY A 4 21.083 15.582 20.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.624 16.694 18.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.711 15.527 19.644 1.00 0.00 H new ATOM 37 N SER A 5 22.233 14.626 17.419 1.00 0.00 N ATOM 38 CA SER A 5 21.650 13.614 16.555 1.00 0.00 C ATOM 39 C SER A 5 22.747 12.925 15.741 1.00 0.00 C ATOM 40 O SER A 5 23.854 13.447 15.617 1.00 0.00 O ATOM 41 CB SER A 5 20.601 14.224 15.623 1.00 0.00 C ATOM 42 OG SER A 5 19.346 13.556 15.722 1.00 0.00 O ATOM 0 H SER A 5 22.840 15.294 16.944 1.00 0.00 H new ATOM 0 HA SER A 5 21.153 12.874 17.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.470 15.279 15.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.958 14.175 14.594 1.00 0.00 H new ATOM 0 HG SER A 5 18.703 13.976 15.113 1.00 0.00 H new ATOM 48 N SER A 6 22.402 11.762 15.208 1.00 0.00 N ATOM 49 CA SER A 6 23.344 10.996 14.410 1.00 0.00 C ATOM 50 C SER A 6 22.678 10.539 13.110 1.00 0.00 C ATOM 51 O SER A 6 21.452 10.516 13.011 1.00 0.00 O ATOM 52 CB SER A 6 23.871 9.789 15.188 1.00 0.00 C ATOM 53 OG SER A 6 22.816 9.002 15.733 1.00 0.00 O ATOM 0 H SER A 6 21.483 11.332 15.313 1.00 0.00 H new ATOM 0 HA SER A 6 24.191 11.639 14.171 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.481 9.171 14.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.520 10.132 15.993 1.00 0.00 H new ATOM 0 HG SER A 6 23.194 8.241 16.220 1.00 0.00 H new ATOM 59 N GLY A 7 23.516 10.188 12.145 1.00 0.00 N ATOM 60 CA GLY A 7 23.024 9.734 10.856 1.00 0.00 C ATOM 61 C GLY A 7 23.839 10.343 9.713 1.00 0.00 C ATOM 62 O GLY A 7 24.708 11.182 9.943 1.00 0.00 O ATOM 0 H GLY A 7 24.532 10.209 12.230 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.076 8.646 10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.975 10.008 10.746 1.00 0.00 H new ATOM 66 N ILE A 8 23.529 9.896 8.504 1.00 0.00 N ATOM 67 CA ILE A 8 24.221 10.386 7.325 1.00 0.00 C ATOM 68 C ILE A 8 23.445 11.565 6.736 1.00 0.00 C ATOM 69 O ILE A 8 22.218 11.528 6.658 1.00 0.00 O ATOM 70 CB ILE A 8 24.458 9.247 6.331 1.00 0.00 C ATOM 71 CG1 ILE A 8 23.218 9.007 5.467 1.00 0.00 C ATOM 72 CG2 ILE A 8 24.909 7.975 7.051 1.00 0.00 C ATOM 73 CD1 ILE A 8 22.102 8.349 6.280 1.00 0.00 C ATOM 0 H ILE A 8 22.808 9.200 8.316 1.00 0.00 H new ATOM 0 HA ILE A 8 25.211 10.757 7.591 1.00 0.00 H new ATOM 0 HB ILE A 8 25.266 9.541 5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 8 22.866 9.954 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 8 23.478 8.373 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 8 25.070 7.182 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 8 25.838 8.170 7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 8 24.140 7.666 7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 8 21.233 8.190 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 8 22.449 7.391 6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 8 21.827 8.997 7.112 1.00 0.00 H new ATOM 85 N SER A 9 24.191 12.584 6.336 1.00 0.00 N ATOM 86 CA SER A 9 23.588 13.772 5.757 1.00 0.00 C ATOM 87 C SER A 9 23.727 13.739 4.233 1.00 0.00 C ATOM 88 O SER A 9 24.462 14.539 3.656 1.00 0.00 O ATOM 89 CB SER A 9 24.225 15.044 6.321 1.00 0.00 C ATOM 90 OG SER A 9 23.573 15.486 7.508 1.00 0.00 O ATOM 0 H SER A 9 25.209 12.611 6.402 1.00 0.00 H new ATOM 0 HA SER A 9 22.530 13.781 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 9 25.278 14.859 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.185 15.833 5.570 1.00 0.00 H new ATOM 0 HG SER A 9 24.010 16.299 7.838 1.00 0.00 H new ATOM 96 N THR A 10 23.009 12.806 3.625 1.00 0.00 N ATOM 97 CA THR A 10 23.044 12.659 2.180 1.00 0.00 C ATOM 98 C THR A 10 21.885 13.426 1.539 1.00 0.00 C ATOM 99 O THR A 10 21.588 14.552 1.933 1.00 0.00 O ATOM 100 CB THR A 10 23.035 11.163 1.857 1.00 0.00 C ATOM 101 OG1 THR A 10 24.005 10.612 2.743 1.00 0.00 O ATOM 102 CG2 THR A 10 23.589 10.863 0.463 1.00 0.00 C ATOM 0 H THR A 10 22.400 12.145 4.107 1.00 0.00 H new ATOM 0 HA THR A 10 23.952 13.092 1.759 1.00 0.00 H new ATOM 0 HB THR A 10 22.017 10.780 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 10 24.063 9.644 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 10 23.561 9.788 0.284 1.00 0.00 H new ATOM 0 HG22 THR A 10 22.983 11.372 -0.287 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.619 11.215 0.397 1.00 0.00 H new ATOM 110 N GLU A 11 21.263 12.784 0.561 1.00 0.00 N ATOM 111 CA GLU A 11 20.144 13.392 -0.140 1.00 0.00 C ATOM 112 C GLU A 11 19.420 12.347 -0.991 1.00 0.00 C ATOM 113 O GLU A 11 20.033 11.695 -1.835 1.00 0.00 O ATOM 114 CB GLU A 11 20.608 14.571 -0.997 1.00 0.00 C ATOM 115 CG GLU A 11 21.730 14.149 -1.948 1.00 0.00 C ATOM 116 CD GLU A 11 23.104 14.439 -1.338 1.00 0.00 C ATOM 117 OE1 GLU A 11 23.122 14.926 -0.187 1.00 0.00 O ATOM 118 OE2 GLU A 11 24.103 14.168 -2.038 1.00 0.00 O ATOM 0 H GLU A 11 21.512 11.849 0.237 1.00 0.00 H new ATOM 0 HA GLU A 11 19.444 13.778 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.767 14.961 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.957 15.378 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.643 13.085 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.629 14.680 -2.894 1.00 0.00 H new ATOM 125 N GLU A 12 18.125 12.220 -0.740 1.00 0.00 N ATOM 126 CA GLU A 12 17.311 11.265 -1.473 1.00 0.00 C ATOM 127 C GLU A 12 16.203 11.990 -2.239 1.00 0.00 C ATOM 128 O GLU A 12 15.965 13.176 -2.018 1.00 0.00 O ATOM 129 CB GLU A 12 16.727 10.208 -0.534 1.00 0.00 C ATOM 130 CG GLU A 12 17.829 9.530 0.282 1.00 0.00 C ATOM 131 CD GLU A 12 17.796 9.993 1.740 1.00 0.00 C ATOM 132 OE1 GLU A 12 16.675 10.249 2.229 1.00 0.00 O ATOM 133 OE2 GLU A 12 18.894 10.081 2.332 1.00 0.00 O ATOM 0 H GLU A 12 17.620 12.762 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 12 17.948 10.752 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.005 10.672 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.187 9.460 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.706 8.448 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.802 9.758 -0.154 1.00 0.00 H new ATOM 140 N ALA A 13 15.556 11.247 -3.125 1.00 0.00 N ATOM 141 CA ALA A 13 14.479 11.804 -3.925 1.00 0.00 C ATOM 142 C ALA A 13 13.286 10.846 -3.906 1.00 0.00 C ATOM 143 O ALA A 13 13.463 9.629 -3.909 1.00 0.00 O ATOM 144 CB ALA A 13 14.984 12.077 -5.343 1.00 0.00 C ATOM 0 H ALA A 13 15.757 10.264 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 13 14.145 12.755 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.176 12.495 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 13 15.811 12.786 -5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.326 11.145 -5.793 1.00 0.00 H new ATOM 150 N ALA A 14 12.098 11.431 -3.886 1.00 0.00 N ATOM 151 CA ALA A 14 10.876 10.644 -3.866 1.00 0.00 C ATOM 152 C ALA A 14 10.974 9.532 -4.912 1.00 0.00 C ATOM 153 O ALA A 14 11.658 9.685 -5.923 1.00 0.00 O ATOM 154 CB ALA A 14 9.674 11.561 -4.100 1.00 0.00 C ATOM 0 H ALA A 14 11.955 12.441 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 14 10.740 10.171 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.758 10.971 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.633 12.315 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.774 12.052 -5.068 1.00 0.00 H new ATOM 160 N PRO A 15 10.261 8.410 -4.626 1.00 0.00 N ATOM 161 CA PRO A 15 10.261 7.273 -5.531 1.00 0.00 C ATOM 162 C PRO A 15 9.395 7.551 -6.761 1.00 0.00 C ATOM 163 O PRO A 15 8.170 7.598 -6.665 1.00 0.00 O ATOM 164 CB PRO A 15 9.753 6.108 -4.698 1.00 0.00 C ATOM 165 CG PRO A 15 9.051 6.726 -3.500 1.00 0.00 C ATOM 166 CD PRO A 15 9.440 8.194 -3.439 1.00 0.00 C ATOM 0 HA PRO A 15 11.250 7.056 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.068 5.486 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.576 5.467 -4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.970 6.621 -3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.342 6.215 -2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.560 8.837 -3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.994 8.419 -2.528 1.00 0.00 H new ATOM 174 N ASP A 16 10.066 7.729 -7.890 1.00 0.00 N ATOM 175 CA ASP A 16 9.373 8.002 -9.137 1.00 0.00 C ATOM 176 C ASP A 16 8.938 6.680 -9.773 1.00 0.00 C ATOM 177 O ASP A 16 9.197 6.438 -10.951 1.00 0.00 O ATOM 178 CB ASP A 16 10.287 8.725 -10.129 1.00 0.00 C ATOM 179 CG ASP A 16 10.578 10.188 -9.791 1.00 0.00 C ATOM 180 OD1 ASP A 16 9.614 10.983 -9.831 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.758 10.479 -9.499 1.00 0.00 O ATOM 0 H ASP A 16 11.082 7.689 -7.967 1.00 0.00 H new ATOM 0 HA ASP A 16 8.513 8.633 -8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.233 8.186 -10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.832 8.680 -11.119 1.00 0.00 H new ATOM 186 N GLY A 17 8.284 5.858 -8.965 1.00 0.00 N ATOM 187 CA GLY A 17 7.810 4.567 -9.434 1.00 0.00 C ATOM 188 C GLY A 17 7.135 3.788 -8.304 1.00 0.00 C ATOM 189 O GLY A 17 7.620 3.781 -7.174 1.00 0.00 O ATOM 0 H GLY A 17 8.071 6.061 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.106 4.710 -10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.646 3.990 -9.829 1.00 0.00 H new ATOM 193 N PRO A 18 5.997 3.133 -8.658 1.00 0.00 N ATOM 194 CA PRO A 18 5.250 2.352 -7.687 1.00 0.00 C ATOM 195 C PRO A 18 5.958 1.029 -7.385 1.00 0.00 C ATOM 196 O PRO A 18 6.903 0.655 -8.078 1.00 0.00 O ATOM 197 CB PRO A 18 3.876 2.161 -8.308 1.00 0.00 C ATOM 198 CG PRO A 18 4.047 2.439 -9.793 1.00 0.00 C ATOM 199 CD PRO A 18 5.393 3.118 -9.987 1.00 0.00 C ATOM 0 HA PRO A 18 5.170 2.849 -6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.509 1.149 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.149 2.841 -7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.002 1.511 -10.363 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.242 3.077 -10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.013 2.571 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.274 4.128 -10.379 1.00 0.00 H new ATOM 207 N PRO A 19 5.462 0.341 -6.323 1.00 0.00 N ATOM 208 CA PRO A 19 6.036 -0.932 -5.921 1.00 0.00 C ATOM 209 C PRO A 19 5.623 -2.048 -6.882 1.00 0.00 C ATOM 210 O PRO A 19 4.590 -1.952 -7.543 1.00 0.00 O ATOM 211 CB PRO A 19 5.542 -1.157 -4.502 1.00 0.00 C ATOM 212 CG PRO A 19 4.341 -0.240 -4.329 1.00 0.00 C ATOM 213 CD PRO A 19 4.344 0.753 -5.479 1.00 0.00 C ATOM 0 HA PRO A 19 7.126 -0.930 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.263 -2.199 -4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.320 -0.923 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.417 -0.818 -4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.394 0.282 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.403 0.726 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.474 1.774 -5.120 1.00 0.00 H new ATOM 221 N MET A 20 6.450 -3.082 -6.929 1.00 0.00 N ATOM 222 CA MET A 20 6.184 -4.215 -7.798 1.00 0.00 C ATOM 223 C MET A 20 5.607 -5.390 -7.006 1.00 0.00 C ATOM 224 O MET A 20 5.474 -5.314 -5.785 1.00 0.00 O ATOM 225 CB MET A 20 7.480 -4.649 -8.484 1.00 0.00 C ATOM 226 CG MET A 20 8.117 -3.483 -9.242 1.00 0.00 C ATOM 227 SD MET A 20 9.391 -4.088 -10.336 1.00 0.00 S ATOM 228 CE MET A 20 8.422 -4.388 -11.805 1.00 0.00 C ATOM 0 H MET A 20 7.305 -3.159 -6.379 1.00 0.00 H new ATOM 0 HA MET A 20 5.452 -3.911 -8.546 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.180 -5.029 -7.740 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.274 -5.467 -9.174 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.356 -2.952 -9.815 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.541 -2.769 -8.537 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.703 -5.348 -12.237 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.363 -4.403 -11.546 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.607 -3.596 -12.531 1.00 0.00 H new ATOM 238 N ASP A 21 5.280 -6.449 -7.732 1.00 0.00 N ATOM 239 CA ASP A 21 4.721 -7.638 -7.112 1.00 0.00 C ATOM 240 C ASP A 21 3.494 -7.248 -6.286 1.00 0.00 C ATOM 241 O ASP A 21 3.153 -7.924 -5.316 1.00 0.00 O ATOM 242 CB ASP A 21 5.733 -8.297 -6.173 1.00 0.00 C ATOM 243 CG ASP A 21 5.468 -9.773 -5.870 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.276 -10.114 -5.705 1.00 0.00 O ATOM 245 OD2 ASP A 21 6.462 -10.528 -5.810 1.00 0.00 O ATOM 0 H ASP A 21 5.392 -6.508 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 21 4.455 -8.338 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.727 -8.204 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.747 -7.745 -5.233 1.00 0.00 H new ATOM 250 N VAL A 22 2.862 -6.160 -6.701 1.00 0.00 N ATOM 251 CA VAL A 22 1.680 -5.672 -6.012 1.00 0.00 C ATOM 252 C VAL A 22 0.483 -6.553 -6.374 1.00 0.00 C ATOM 253 O VAL A 22 0.015 -6.534 -7.511 1.00 0.00 O ATOM 254 CB VAL A 22 1.455 -4.194 -6.340 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.331 -3.607 -5.483 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.748 -3.393 -6.172 1.00 0.00 C ATOM 0 H VAL A 22 3.147 -5.602 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 22 1.815 -5.735 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 22 1.151 -4.125 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.192 -2.556 -5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.594 -4.152 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.594 -3.695 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.561 -2.346 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.095 -3.474 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.510 -3.788 -6.843 1.00 0.00 H new ATOM 266 N THR A 23 0.022 -7.305 -5.385 1.00 0.00 N ATOM 267 CA THR A 23 -1.111 -8.192 -5.586 1.00 0.00 C ATOM 268 C THR A 23 -1.852 -8.418 -4.266 1.00 0.00 C ATOM 269 O THR A 23 -1.245 -8.392 -3.197 1.00 0.00 O ATOM 270 CB THR A 23 -0.594 -9.485 -6.220 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.728 -10.016 -6.900 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.250 -10.552 -5.179 1.00 0.00 C ATOM 0 H THR A 23 0.412 -7.318 -4.443 1.00 0.00 H new ATOM 0 HA THR A 23 -1.842 -7.751 -6.263 1.00 0.00 H new ATOM 0 HB THR A 23 0.289 -9.266 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.481 -10.855 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.112 -11.448 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.524 -10.173 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.141 -10.796 -4.600 1.00 0.00 H new ATOM 280 N LEU A 24 -3.154 -8.633 -4.385 1.00 0.00 N ATOM 281 CA LEU A 24 -3.985 -8.863 -3.215 1.00 0.00 C ATOM 282 C LEU A 24 -4.244 -10.363 -3.066 1.00 0.00 C ATOM 283 O LEU A 24 -4.021 -11.131 -4.000 1.00 0.00 O ATOM 284 CB LEU A 24 -5.261 -8.023 -3.291 1.00 0.00 C ATOM 285 CG LEU A 24 -5.063 -6.518 -3.487 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.408 -5.794 -3.569 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.165 -5.936 -2.394 1.00 0.00 C ATOM 0 H LEU A 24 -3.654 -8.653 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.470 -8.537 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.871 -8.399 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.830 -8.178 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.555 -6.362 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.239 -4.726 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.980 -6.184 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.965 -5.956 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.041 -4.865 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.623 -6.104 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.191 -6.423 -2.426 1.00 0.00 H new ATOM 299 N GLN A 25 -4.712 -10.735 -1.883 1.00 0.00 N ATOM 300 CA GLN A 25 -5.004 -12.130 -1.599 1.00 0.00 C ATOM 301 C GLN A 25 -5.818 -12.250 -0.310 1.00 0.00 C ATOM 302 O GLN A 25 -5.356 -11.855 0.760 1.00 0.00 O ATOM 303 CB GLN A 25 -3.717 -12.953 -1.513 1.00 0.00 C ATOM 304 CG GLN A 25 -3.965 -14.404 -1.931 1.00 0.00 C ATOM 305 CD GLN A 25 -2.675 -15.061 -2.426 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.169 -14.765 -3.496 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.174 -15.966 -1.590 1.00 0.00 N ATOM 0 H GLN A 25 -4.896 -10.095 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.599 -12.531 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.955 -12.511 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.331 -12.925 -0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.363 -14.966 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.718 -14.436 -2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.649 -16.165 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.315 -16.461 -1.829 1.00 0.00 H new ATOM 316 N PRO A 26 -7.048 -12.811 -0.457 1.00 0.00 N ATOM 317 CA PRO A 26 -7.932 -12.988 0.683 1.00 0.00 C ATOM 318 C PRO A 26 -7.467 -14.152 1.561 1.00 0.00 C ATOM 319 O PRO A 26 -7.366 -15.285 1.093 1.00 0.00 O ATOM 320 CB PRO A 26 -9.310 -13.210 0.083 1.00 0.00 C ATOM 321 CG PRO A 26 -9.074 -13.612 -1.364 1.00 0.00 C ATOM 322 CD PRO A 26 -7.629 -13.290 -1.708 1.00 0.00 C ATOM 0 HA PRO A 26 -7.938 -12.125 1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.850 -13.989 0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.913 -12.304 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.271 -14.675 -1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.753 -13.074 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.104 -14.171 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.567 -12.532 -2.489 1.00 0.00 H new ATOM 330 N VAL A 27 -7.197 -13.832 2.818 1.00 0.00 N ATOM 331 CA VAL A 27 -6.746 -14.837 3.766 1.00 0.00 C ATOM 332 C VAL A 27 -7.839 -15.073 4.811 1.00 0.00 C ATOM 333 O VAL A 27 -8.027 -16.197 5.274 1.00 0.00 O ATOM 334 CB VAL A 27 -5.411 -14.414 4.382 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.251 -14.700 3.426 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.437 -12.939 4.786 1.00 0.00 C ATOM 0 H VAL A 27 -7.282 -12.891 3.202 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.569 -15.786 3.261 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.256 -15.006 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.314 -14.390 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.213 -15.768 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.399 -14.146 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.476 -12.664 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.626 -12.324 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.227 -12.776 5.519 1.00 0.00 H new ATOM 346 N THR A 28 -8.530 -13.996 5.151 1.00 0.00 N ATOM 347 CA THR A 28 -9.599 -14.072 6.133 1.00 0.00 C ATOM 348 C THR A 28 -10.937 -13.692 5.495 1.00 0.00 C ATOM 349 O THR A 28 -11.030 -13.550 4.277 1.00 0.00 O ATOM 350 CB THR A 28 -9.216 -13.183 7.318 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.509 -11.862 6.870 1.00 0.00 O ATOM 352 CG2 THR A 28 -7.708 -13.164 7.573 1.00 0.00 C ATOM 0 H THR A 28 -8.371 -13.066 4.764 1.00 0.00 H new ATOM 0 HA THR A 28 -9.728 -15.090 6.500 1.00 0.00 H new ATOM 0 HB THR A 28 -9.731 -13.531 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.243 -11.768 5.932 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.491 -12.518 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.362 -14.175 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.194 -12.785 6.690 1.00 0.00 H new ATOM 360 N SER A 29 -11.939 -13.537 6.348 1.00 0.00 N ATOM 361 CA SER A 29 -13.268 -13.176 5.883 1.00 0.00 C ATOM 362 C SER A 29 -13.420 -11.654 5.865 1.00 0.00 C ATOM 363 O SER A 29 -14.276 -11.121 5.160 1.00 0.00 O ATOM 364 CB SER A 29 -14.349 -13.807 6.762 1.00 0.00 C ATOM 365 OG SER A 29 -14.165 -15.212 6.909 1.00 0.00 O ATOM 0 H SER A 29 -11.858 -13.655 7.358 1.00 0.00 H new ATOM 0 HA SER A 29 -13.392 -13.559 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.338 -13.335 7.745 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.329 -13.613 6.326 1.00 0.00 H new ATOM 0 HG SER A 29 -14.874 -15.577 7.478 1.00 0.00 H new ATOM 371 N GLN A 30 -12.576 -10.997 6.647 1.00 0.00 N ATOM 372 CA GLN A 30 -12.607 -9.547 6.730 1.00 0.00 C ATOM 373 C GLN A 30 -11.184 -8.984 6.697 1.00 0.00 C ATOM 374 O GLN A 30 -10.831 -8.132 7.512 1.00 0.00 O ATOM 375 CB GLN A 30 -13.351 -9.084 7.984 1.00 0.00 C ATOM 376 CG GLN A 30 -14.850 -8.947 7.712 1.00 0.00 C ATOM 377 CD GLN A 30 -15.438 -7.755 8.471 1.00 0.00 C ATOM 378 OE1 GLN A 30 -14.743 -6.834 8.866 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.754 -7.824 8.651 1.00 0.00 N ATOM 0 H GLN A 30 -11.866 -11.442 7.229 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.149 -9.165 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.188 -9.797 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -12.949 -8.127 8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.019 -8.821 6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.363 -9.862 8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.276 -8.624 8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.241 -7.077 9.146 1.00 0.00 H new ATOM 388 N SER A 31 -10.407 -9.482 5.747 1.00 0.00 N ATOM 389 CA SER A 31 -9.031 -9.039 5.598 1.00 0.00 C ATOM 390 C SER A 31 -8.461 -9.541 4.270 1.00 0.00 C ATOM 391 O SER A 31 -9.050 -10.407 3.625 1.00 0.00 O ATOM 392 CB SER A 31 -8.166 -9.523 6.764 1.00 0.00 C ATOM 393 OG SER A 31 -7.185 -8.560 7.137 1.00 0.00 O ATOM 0 H SER A 31 -10.704 -10.188 5.073 1.00 0.00 H new ATOM 0 HA SER A 31 -9.021 -7.949 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.803 -9.742 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.672 -10.455 6.487 1.00 0.00 H new ATOM 0 HG SER A 31 -6.504 -8.499 6.435 1.00 0.00 H new ATOM 399 N ILE A 32 -7.320 -8.976 3.900 1.00 0.00 N ATOM 400 CA ILE A 32 -6.664 -9.356 2.661 1.00 0.00 C ATOM 401 C ILE A 32 -5.154 -9.157 2.807 1.00 0.00 C ATOM 402 O ILE A 32 -4.708 -8.197 3.433 1.00 0.00 O ATOM 403 CB ILE A 32 -7.273 -8.599 1.479 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.759 -8.926 1.325 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.490 -8.870 0.193 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.354 -8.216 0.107 1.00 0.00 C ATOM 0 H ILE A 32 -6.834 -8.258 4.437 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.828 -10.413 2.451 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.198 -7.531 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.889 -10.003 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.296 -8.625 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.943 -8.320 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.457 -8.546 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.511 -9.937 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.411 -8.466 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.244 -7.138 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.831 -8.538 -0.793 1.00 0.00 H new ATOM 418 N GLN A 33 -4.409 -10.081 2.218 1.00 0.00 N ATOM 419 CA GLN A 33 -2.958 -10.019 2.275 1.00 0.00 C ATOM 420 C GLN A 33 -2.410 -9.283 1.051 1.00 0.00 C ATOM 421 O GLN A 33 -2.675 -9.676 -0.084 1.00 0.00 O ATOM 422 CB GLN A 33 -2.354 -11.421 2.388 1.00 0.00 C ATOM 423 CG GLN A 33 -0.825 -11.358 2.410 1.00 0.00 C ATOM 424 CD GLN A 33 -0.224 -12.739 2.680 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.901 -13.754 2.658 1.00 0.00 O ATOM 426 NE2 GLN A 33 1.081 -12.721 2.934 1.00 0.00 N ATOM 0 H GLN A 33 -4.782 -10.876 1.699 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.672 -9.462 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.715 -11.904 3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.685 -12.032 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.459 -10.978 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.497 -10.658 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.588 -11.836 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.575 -13.592 3.126 1.00 0.00 H new ATOM 435 N VAL A 34 -1.655 -8.229 1.323 1.00 0.00 N ATOM 436 CA VAL A 34 -1.067 -7.434 0.258 1.00 0.00 C ATOM 437 C VAL A 34 0.452 -7.620 0.268 1.00 0.00 C ATOM 438 O VAL A 34 1.094 -7.457 1.305 1.00 0.00 O ATOM 439 CB VAL A 34 -1.492 -5.971 0.401 1.00 0.00 C ATOM 440 CG1 VAL A 34 -0.933 -5.124 -0.744 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.015 -5.848 0.482 1.00 0.00 C ATOM 0 H VAL A 34 -1.437 -7.907 2.266 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.429 -7.770 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.076 -5.590 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.250 -4.089 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.156 -5.174 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.306 -5.505 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.290 -4.798 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.462 -6.254 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.379 -6.404 1.346 1.00 0.00 H new ATOM 451 N THR A 35 0.983 -7.957 -0.898 1.00 0.00 N ATOM 452 CA THR A 35 2.414 -8.166 -1.036 1.00 0.00 C ATOM 453 C THR A 35 2.959 -7.361 -2.218 1.00 0.00 C ATOM 454 O THR A 35 2.272 -7.185 -3.223 1.00 0.00 O ATOM 455 CB THR A 35 2.662 -9.671 -1.161 1.00 0.00 C ATOM 456 OG1 THR A 35 1.531 -10.151 -1.882 1.00 0.00 O ATOM 457 CG2 THR A 35 2.578 -10.391 0.186 1.00 0.00 C ATOM 0 H THR A 35 0.448 -8.091 -1.756 1.00 0.00 H new ATOM 0 HA THR A 35 2.953 -7.804 -0.160 1.00 0.00 H new ATOM 0 HB THR A 35 3.643 -9.842 -1.604 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.611 -11.119 -2.009 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.761 -11.456 0.042 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.327 -9.982 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.585 -10.249 0.613 1.00 0.00 H new ATOM 465 N TRP A 36 4.188 -6.893 -2.057 1.00 0.00 N ATOM 466 CA TRP A 36 4.832 -6.110 -3.097 1.00 0.00 C ATOM 467 C TRP A 36 6.343 -6.166 -2.863 1.00 0.00 C ATOM 468 O TRP A 36 6.795 -6.573 -1.794 1.00 0.00 O ATOM 469 CB TRP A 36 4.285 -4.682 -3.128 1.00 0.00 C ATOM 470 CG TRP A 36 4.685 -3.836 -1.918 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.855 -3.224 -1.690 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.862 -3.531 -0.772 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.847 -2.549 -0.486 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.596 -2.742 0.090 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.541 -3.909 -0.474 1.00 0.00 C ATOM 476 CZ2 TRP A 36 4.095 -2.265 1.307 1.00 0.00 C ATOM 477 CZ3 TRP A 36 2.055 -3.424 0.746 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.781 -2.629 1.625 1.00 0.00 C ATOM 0 H TRP A 36 4.755 -7.041 -1.222 1.00 0.00 H new ATOM 0 HA TRP A 36 4.616 -6.525 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.636 -4.189 -4.035 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.197 -4.722 -3.187 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.698 -3.255 -2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.617 -2.008 -0.092 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.948 -4.525 -1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.690 -1.649 1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.045 -3.686 1.024 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.334 -2.294 2.549 1.00 0.00 H new ATOM 489 N LYS A 37 7.084 -5.751 -3.881 1.00 0.00 N ATOM 490 CA LYS A 37 8.534 -5.749 -3.799 1.00 0.00 C ATOM 491 C LYS A 37 9.051 -4.328 -4.029 1.00 0.00 C ATOM 492 O LYS A 37 8.270 -3.413 -4.287 1.00 0.00 O ATOM 493 CB LYS A 37 9.126 -6.782 -4.760 1.00 0.00 C ATOM 494 CG LYS A 37 9.011 -8.195 -4.186 1.00 0.00 C ATOM 495 CD LYS A 37 9.805 -9.196 -5.027 1.00 0.00 C ATOM 496 CE LYS A 37 10.969 -9.784 -4.226 1.00 0.00 C ATOM 497 NZ LYS A 37 12.261 -9.280 -4.743 1.00 0.00 N ATOM 0 H LYS A 37 6.706 -5.414 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 37 8.860 -6.050 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.608 -6.732 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.173 -6.548 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.378 -8.205 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.963 -8.493 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.147 -9.998 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.187 -8.703 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.864 -9.520 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.946 -10.872 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.040 -9.689 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.366 -9.553 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.286 -8.243 -4.663 1.00 0.00 H new ATOM 511 N ALA A 38 10.365 -4.186 -3.927 1.00 0.00 N ATOM 512 CA ALA A 38 10.996 -2.892 -4.120 1.00 0.00 C ATOM 513 C ALA A 38 10.559 -2.313 -5.468 1.00 0.00 C ATOM 514 O ALA A 38 10.526 -3.024 -6.471 1.00 0.00 O ATOM 515 CB ALA A 38 12.514 -3.043 -4.015 1.00 0.00 C ATOM 0 H ALA A 38 11.010 -4.947 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 38 10.684 -2.193 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.987 -2.072 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.774 -3.430 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.865 -3.735 -4.781 1.00 0.00 H new ATOM 521 N PRO A 39 10.228 -0.994 -5.447 1.00 0.00 N ATOM 522 CA PRO A 39 9.795 -0.312 -6.654 1.00 0.00 C ATOM 523 C PRO A 39 10.980 -0.035 -7.582 1.00 0.00 C ATOM 524 O PRO A 39 11.730 0.918 -7.370 1.00 0.00 O ATOM 525 CB PRO A 39 9.113 0.956 -6.167 1.00 0.00 C ATOM 526 CG PRO A 39 9.595 1.167 -4.741 1.00 0.00 C ATOM 527 CD PRO A 39 10.255 -0.121 -4.277 1.00 0.00 C ATOM 0 HA PRO A 39 9.110 -0.912 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.374 1.806 -6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.028 0.854 -6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.301 1.996 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.760 1.424 -4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.276 0.057 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.715 -0.564 -3.440 1.00 0.00 H new ATOM 535 N LYS A 40 11.112 -0.883 -8.590 1.00 0.00 N ATOM 536 CA LYS A 40 12.193 -0.742 -9.551 1.00 0.00 C ATOM 537 C LYS A 40 13.507 -0.503 -8.803 1.00 0.00 C ATOM 538 O LYS A 40 13.563 -0.640 -7.582 1.00 0.00 O ATOM 539 CB LYS A 40 11.862 0.346 -10.574 1.00 0.00 C ATOM 540 CG LYS A 40 11.147 -0.245 -11.791 1.00 0.00 C ATOM 541 CD LYS A 40 9.694 -0.589 -11.460 1.00 0.00 C ATOM 542 CE LYS A 40 8.849 -0.685 -12.732 1.00 0.00 C ATOM 543 NZ LYS A 40 8.357 0.653 -13.129 1.00 0.00 N ATOM 0 H LYS A 40 10.488 -1.671 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 40 12.314 -1.661 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.232 1.106 -10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.779 0.842 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.177 0.467 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.670 -1.141 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.655 -1.535 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.278 0.172 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.443 -1.115 -13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.005 -1.355 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.678 0.555 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.889 1.105 -12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.158 1.240 -13.438 1.00 0.00 H new ATOM 557 N LYS A 41 14.530 -0.149 -9.567 1.00 0.00 N ATOM 558 CA LYS A 41 15.839 0.110 -8.991 1.00 0.00 C ATOM 559 C LYS A 41 16.220 1.571 -9.240 1.00 0.00 C ATOM 560 O LYS A 41 16.627 2.275 -8.318 1.00 0.00 O ATOM 561 CB LYS A 41 16.865 -0.893 -9.522 1.00 0.00 C ATOM 562 CG LYS A 41 18.290 -0.365 -9.343 1.00 0.00 C ATOM 563 CD LYS A 41 18.702 -0.387 -7.869 1.00 0.00 C ATOM 564 CE LYS A 41 19.301 -1.742 -7.487 1.00 0.00 C ATOM 565 NZ LYS A 41 20.702 -1.581 -7.039 1.00 0.00 N ATOM 0 H LYS A 41 14.479 -0.035 -10.579 1.00 0.00 H new ATOM 0 HA LYS A 41 15.816 -0.034 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.756 -1.842 -8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.675 -1.089 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.982 -0.971 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.355 0.653 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.429 0.403 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.835 -0.179 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.709 -2.197 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.261 -2.418 -8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.094 -2.510 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.267 -1.167 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.732 -0.953 -6.210 1.00 0.00 H new ATOM 579 N GLU A 42 16.075 1.982 -10.491 1.00 0.00 N ATOM 580 CA GLU A 42 16.399 3.346 -10.873 1.00 0.00 C ATOM 581 C GLU A 42 15.296 4.302 -10.415 1.00 0.00 C ATOM 582 O GLU A 42 15.416 5.516 -10.573 1.00 0.00 O ATOM 583 CB GLU A 42 16.627 3.453 -12.382 1.00 0.00 C ATOM 584 CG GLU A 42 15.361 3.079 -13.156 1.00 0.00 C ATOM 585 CD GLU A 42 15.460 3.523 -14.617 1.00 0.00 C ATOM 586 OE1 GLU A 42 16.232 2.875 -15.356 1.00 0.00 O ATOM 587 OE2 GLU A 42 14.761 4.501 -14.961 1.00 0.00 O ATOM 0 H GLU A 42 15.737 1.394 -11.253 1.00 0.00 H new ATOM 0 HA GLU A 42 17.327 3.631 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.926 4.470 -12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.445 2.796 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.207 2.001 -13.109 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.494 3.545 -12.689 1.00 0.00 H new ATOM 594 N LEU A 43 14.245 3.718 -9.858 1.00 0.00 N ATOM 595 CA LEU A 43 13.121 4.503 -9.377 1.00 0.00 C ATOM 596 C LEU A 43 13.254 4.703 -7.866 1.00 0.00 C ATOM 597 O LEU A 43 12.843 5.733 -7.334 1.00 0.00 O ATOM 598 CB LEU A 43 11.798 3.858 -9.797 1.00 0.00 C ATOM 599 CG LEU A 43 11.583 3.690 -11.303 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.171 3.182 -11.601 1.00 0.00 C ATOM 601 CD2 LEU A 43 11.895 4.988 -12.050 1.00 0.00 C ATOM 0 H LEU A 43 14.148 2.711 -9.729 1.00 0.00 H new ATOM 0 HA LEU A 43 13.126 5.493 -9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.730 2.876 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.981 4.459 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 43 12.280 2.935 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.044 3.071 -12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.022 2.217 -11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.440 3.896 -11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.734 4.841 -13.118 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.240 5.781 -11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.934 5.268 -11.875 1.00 0.00 H new ATOM 613 N GLN A 44 13.830 3.702 -7.217 1.00 0.00 N ATOM 614 CA GLN A 44 14.023 3.755 -5.778 1.00 0.00 C ATOM 615 C GLN A 44 14.515 5.142 -5.359 1.00 0.00 C ATOM 616 O GLN A 44 14.091 5.672 -4.333 1.00 0.00 O ATOM 617 CB GLN A 44 14.993 2.667 -5.314 1.00 0.00 C ATOM 618 CG GLN A 44 14.250 1.363 -5.015 1.00 0.00 C ATOM 619 CD GLN A 44 15.128 0.405 -4.206 1.00 0.00 C ATOM 620 OE1 GLN A 44 15.254 0.508 -2.997 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.727 -0.530 -4.939 1.00 0.00 N ATOM 0 H GLN A 44 14.169 2.849 -7.662 1.00 0.00 H new ATOM 0 HA GLN A 44 13.063 3.570 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.745 2.493 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.521 3.002 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.336 1.580 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.952 0.888 -5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.579 -0.560 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.335 -1.217 -4.492 1.00 0.00 H new ATOM 630 N ASN A 45 15.403 5.692 -6.175 1.00 0.00 N ATOM 631 CA ASN A 45 15.957 7.007 -5.902 1.00 0.00 C ATOM 632 C ASN A 45 16.342 7.097 -4.424 1.00 0.00 C ATOM 633 O ASN A 45 16.045 8.089 -3.761 1.00 0.00 O ATOM 634 CB ASN A 45 14.933 8.107 -6.192 1.00 0.00 C ATOM 635 CG ASN A 45 14.633 8.196 -7.690 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.369 7.700 -8.527 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.515 8.855 -7.979 1.00 0.00 N ATOM 0 H ASN A 45 15.752 5.250 -7.025 1.00 0.00 H new ATOM 0 HA ASN A 45 16.827 7.146 -6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.012 7.905 -5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.312 9.065 -5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.228 8.970 -8.951 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.945 9.245 -7.229 1.00 0.00 H new ATOM 644 N GLY A 46 16.997 6.047 -3.952 1.00 0.00 N ATOM 645 CA GLY A 46 17.426 5.994 -2.564 1.00 0.00 C ATOM 646 C GLY A 46 16.582 4.998 -1.767 1.00 0.00 C ATOM 647 O GLY A 46 15.523 4.570 -2.223 1.00 0.00 O ATOM 0 H GLY A 46 17.241 5.226 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.476 5.707 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.345 6.985 -2.117 1.00 0.00 H new ATOM 651 N VAL A 47 17.084 4.656 -0.589 1.00 0.00 N ATOM 652 CA VAL A 47 16.390 3.718 0.276 1.00 0.00 C ATOM 653 C VAL A 47 14.941 4.174 0.459 1.00 0.00 C ATOM 654 O VAL A 47 14.555 5.235 -0.029 1.00 0.00 O ATOM 655 CB VAL A 47 17.142 3.573 1.601 1.00 0.00 C ATOM 656 CG1 VAL A 47 18.603 3.186 1.362 1.00 0.00 C ATOM 657 CG2 VAL A 47 17.042 4.854 2.431 1.00 0.00 C ATOM 0 H VAL A 47 17.963 5.012 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 47 16.364 2.728 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 47 16.671 2.770 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 19.115 3.089 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 47 18.645 2.235 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 47 19.091 3.957 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 47 17.585 4.724 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 47 17.475 5.684 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.995 5.068 2.645 1.00 0.00 H new ATOM 667 N ILE A 48 14.178 3.350 1.162 1.00 0.00 N ATOM 668 CA ILE A 48 12.781 3.656 1.414 1.00 0.00 C ATOM 669 C ILE A 48 12.520 3.625 2.921 1.00 0.00 C ATOM 670 O ILE A 48 13.111 2.821 3.641 1.00 0.00 O ATOM 671 CB ILE A 48 11.874 2.718 0.614 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.444 2.463 -0.783 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.442 3.253 0.560 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.290 3.700 -1.671 1.00 0.00 C ATOM 0 H ILE A 48 14.501 2.471 1.565 1.00 0.00 H new ATOM 0 HA ILE A 48 12.544 4.663 1.069 1.00 0.00 H new ATOM 0 HB ILE A 48 11.839 1.757 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.498 2.194 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.932 1.616 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.819 2.567 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.048 3.340 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.438 4.233 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.703 3.493 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.234 3.951 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.824 4.538 -1.223 1.00 0.00 H new ATOM 686 N ARG A 49 11.636 4.511 3.355 1.00 0.00 N ATOM 687 CA ARG A 49 11.290 4.595 4.764 1.00 0.00 C ATOM 688 C ARG A 49 10.039 3.764 5.054 1.00 0.00 C ATOM 689 O ARG A 49 9.804 3.366 6.194 1.00 0.00 O ATOM 690 CB ARG A 49 11.040 6.045 5.184 1.00 0.00 C ATOM 691 CG ARG A 49 12.312 6.883 5.046 1.00 0.00 C ATOM 692 CD ARG A 49 12.922 7.184 6.417 1.00 0.00 C ATOM 693 NE ARG A 49 11.936 7.889 7.266 1.00 0.00 N ATOM 694 CZ ARG A 49 12.008 7.958 8.602 1.00 0.00 C ATOM 695 NH1 ARG A 49 13.020 7.364 9.250 1.00 0.00 N ATOM 696 NH2 ARG A 49 11.068 8.620 9.290 1.00 0.00 N ATOM 0 H ARG A 49 11.149 5.177 2.756 1.00 0.00 H new ATOM 0 HA ARG A 49 12.131 4.203 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.249 6.474 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.692 6.073 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.037 6.351 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.083 7.817 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.231 6.256 6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.817 7.796 6.300 1.00 0.00 H new ATOM 0 HE ARG A 49 11.152 8.351 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.735 6.860 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.075 7.416 10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.298 9.071 8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.123 8.673 10.307 1.00 0.00 H new ATOM 710 N GLY A 50 9.268 3.526 4.003 1.00 0.00 N ATOM 711 CA GLY A 50 8.046 2.750 4.131 1.00 0.00 C ATOM 712 C GLY A 50 7.122 2.980 2.934 1.00 0.00 C ATOM 713 O GLY A 50 7.478 3.696 1.999 1.00 0.00 O ATOM 0 H GLY A 50 9.466 3.857 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.290 1.691 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.531 3.026 5.051 1.00 0.00 H new ATOM 717 N TYR A 51 5.953 2.360 3.001 1.00 0.00 N ATOM 718 CA TYR A 51 4.975 2.489 1.934 1.00 0.00 C ATOM 719 C TYR A 51 3.570 2.700 2.501 1.00 0.00 C ATOM 720 O TYR A 51 3.295 2.330 3.641 1.00 0.00 O ATOM 721 CB TYR A 51 5.010 1.165 1.169 1.00 0.00 C ATOM 722 CG TYR A 51 6.350 0.873 0.490 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.478 0.655 1.254 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.430 0.828 -0.887 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.739 0.381 0.615 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.691 0.554 -1.526 1.00 0.00 C ATOM 727 CZ TYR A 51 8.783 0.343 -0.743 1.00 0.00 C ATOM 728 OH TYR A 51 9.974 0.084 -1.347 1.00 0.00 O ATOM 0 H TYR A 51 5.661 1.767 3.778 1.00 0.00 H new ATOM 0 HA TYR A 51 5.208 3.345 1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.779 0.353 1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.225 1.174 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.415 0.690 2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.547 0.998 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.630 0.210 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.768 0.517 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 51 10.147 -0.880 -1.329 1.00 0.00 H new ATOM 738 N GLN A 52 2.718 3.295 1.679 1.00 0.00 N ATOM 739 CA GLN A 52 1.348 3.560 2.084 1.00 0.00 C ATOM 740 C GLN A 52 0.398 2.550 1.436 1.00 0.00 C ATOM 741 O GLN A 52 0.456 2.324 0.228 1.00 0.00 O ATOM 742 CB GLN A 52 0.942 4.994 1.738 1.00 0.00 C ATOM 743 CG GLN A 52 1.167 5.929 2.928 1.00 0.00 C ATOM 744 CD GLN A 52 0.605 7.323 2.644 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.208 7.647 1.537 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.594 8.129 3.702 1.00 0.00 N ATOM 0 H GLN A 52 2.950 3.601 0.734 1.00 0.00 H new ATOM 0 HA GLN A 52 1.282 3.449 3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.520 5.343 0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.108 5.018 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.690 5.515 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.233 6.000 3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.941 7.795 4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.238 9.081 3.614 1.00 0.00 H new ATOM 755 N ILE A 53 -0.453 1.969 2.268 1.00 0.00 N ATOM 756 CA ILE A 53 -1.414 0.988 1.792 1.00 0.00 C ATOM 757 C ILE A 53 -2.824 1.573 1.891 1.00 0.00 C ATOM 758 O ILE A 53 -3.416 1.599 2.969 1.00 0.00 O ATOM 759 CB ILE A 53 -1.244 -0.336 2.540 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.145 -0.929 2.295 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.359 -1.318 2.176 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.187 -0.282 3.210 1.00 0.00 C ATOM 0 H ILE A 53 -0.497 2.158 3.269 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.236 0.759 0.741 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.326 -0.138 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.121 -2.005 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.429 -0.781 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.215 -2.251 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.324 -0.888 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.334 -1.516 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.165 -0.722 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.226 0.790 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.913 -0.453 4.251 1.00 0.00 H new ATOM 774 N GLY A 54 -3.323 2.028 0.750 1.00 0.00 N ATOM 775 CA GLY A 54 -4.653 2.611 0.694 1.00 0.00 C ATOM 776 C GLY A 54 -5.661 1.620 0.109 1.00 0.00 C ATOM 777 O GLY A 54 -5.375 0.952 -0.884 1.00 0.00 O ATOM 0 H GLY A 54 -2.830 2.004 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.967 2.907 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.632 3.516 0.086 1.00 0.00 H new ATOM 781 N TYR A 55 -6.820 1.558 0.747 1.00 0.00 N ATOM 782 CA TYR A 55 -7.873 0.660 0.302 1.00 0.00 C ATOM 783 C TYR A 55 -9.251 1.193 0.697 1.00 0.00 C ATOM 784 O TYR A 55 -9.404 1.809 1.750 1.00 0.00 O ATOM 785 CB TYR A 55 -7.627 -0.667 1.021 1.00 0.00 C ATOM 786 CG TYR A 55 -7.786 -0.590 2.541 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.929 0.193 3.286 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.787 -1.305 3.167 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.078 0.266 4.716 1.00 0.00 C ATOM 790 CE2 TYR A 55 -8.937 -1.232 4.598 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.075 -0.451 5.302 1.00 0.00 C ATOM 792 OH TYR A 55 -8.216 -0.382 6.653 1.00 0.00 O ATOM 0 H TYR A 55 -7.054 2.115 1.569 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.856 0.557 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.319 -1.414 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.620 -1.013 0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.145 0.752 2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.458 -1.919 2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.414 0.876 5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.717 -1.785 5.100 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.969 -0.944 6.932 1.00 0.00 H new ATOM 802 N ARG A 56 -10.220 0.937 -0.170 1.00 0.00 N ATOM 803 CA ARG A 56 -11.581 1.383 0.075 1.00 0.00 C ATOM 804 C ARG A 56 -12.572 0.515 -0.703 1.00 0.00 C ATOM 805 O ARG A 56 -12.203 -0.126 -1.685 1.00 0.00 O ATOM 806 CB ARG A 56 -11.763 2.846 -0.335 1.00 0.00 C ATOM 807 CG ARG A 56 -11.364 3.059 -1.796 1.00 0.00 C ATOM 808 CD ARG A 56 -12.156 4.211 -2.418 1.00 0.00 C ATOM 809 NE ARG A 56 -12.853 3.745 -3.638 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.653 4.516 -4.387 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.864 5.794 -4.045 1.00 0.00 N ATOM 812 NH2 ARG A 56 -14.244 4.008 -5.478 1.00 0.00 N ATOM 0 H ARG A 56 -10.089 0.426 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.773 1.290 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.802 3.141 -0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.158 3.486 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.297 3.271 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.540 2.144 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.880 4.595 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.485 5.034 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.716 2.776 -3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.416 6.180 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.473 6.381 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.085 3.035 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.853 4.595 -6.048 1.00 0.00 H new ATOM 826 N GLU A 57 -13.811 0.523 -0.234 1.00 0.00 N ATOM 827 CA GLU A 57 -14.859 -0.255 -0.873 1.00 0.00 C ATOM 828 C GLU A 57 -15.008 0.158 -2.338 1.00 0.00 C ATOM 829 O GLU A 57 -14.826 1.326 -2.679 1.00 0.00 O ATOM 830 CB GLU A 57 -16.185 -0.109 -0.124 1.00 0.00 C ATOM 831 CG GLU A 57 -16.881 -1.464 0.028 1.00 0.00 C ATOM 832 CD GLU A 57 -18.162 -1.518 -0.806 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.029 -1.601 -2.046 1.00 0.00 O ATOM 834 OE2 GLU A 57 -19.246 -1.476 -0.185 1.00 0.00 O ATOM 0 H GLU A 57 -14.113 1.056 0.581 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.575 -1.307 -0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.005 0.324 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.836 0.580 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.206 -2.261 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.118 -1.640 1.077 1.00 0.00 H new ATOM 841 N ASN A 58 -15.338 -0.823 -3.166 1.00 0.00 N ATOM 842 CA ASN A 58 -15.513 -0.575 -4.587 1.00 0.00 C ATOM 843 C ASN A 58 -16.992 -0.306 -4.874 1.00 0.00 C ATOM 844 O ASN A 58 -17.486 -0.626 -5.954 1.00 0.00 O ATOM 845 CB ASN A 58 -15.084 -1.788 -5.414 1.00 0.00 C ATOM 846 CG ASN A 58 -14.303 -1.356 -6.657 1.00 0.00 C ATOM 847 OD1 ASN A 58 -14.772 -1.447 -7.779 1.00 0.00 O ATOM 848 ND2 ASN A 58 -13.088 -0.883 -6.394 1.00 0.00 N ATOM 0 H ASN A 58 -15.489 -1.790 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.898 0.283 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.468 -2.449 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.964 -2.358 -5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.487 -0.569 -7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.757 -0.834 -5.430 1.00 0.00 H new ATOM 855 N SER A 59 -17.656 0.281 -3.889 1.00 0.00 N ATOM 856 CA SER A 59 -19.068 0.597 -4.023 1.00 0.00 C ATOM 857 C SER A 59 -19.275 1.597 -5.161 1.00 0.00 C ATOM 858 O SER A 59 -18.414 2.438 -5.418 1.00 0.00 O ATOM 859 CB SER A 59 -19.633 1.156 -2.716 1.00 0.00 C ATOM 860 OG SER A 59 -20.630 2.148 -2.946 1.00 0.00 O ATOM 0 H SER A 59 -17.242 0.546 -2.995 1.00 0.00 H new ATOM 0 HA SER A 59 -19.604 -0.323 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.059 0.343 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.824 1.586 -2.126 1.00 0.00 H new ATOM 0 HG SER A 59 -20.967 2.479 -2.087 1.00 0.00 H new ATOM 866 N PRO A 60 -20.451 1.471 -5.831 1.00 0.00 N ATOM 867 CA PRO A 60 -20.782 2.354 -6.937 1.00 0.00 C ATOM 868 C PRO A 60 -21.180 3.742 -6.429 1.00 0.00 C ATOM 869 O PRO A 60 -21.419 4.651 -7.222 1.00 0.00 O ATOM 870 CB PRO A 60 -21.904 1.649 -7.681 1.00 0.00 C ATOM 871 CG PRO A 60 -22.475 0.631 -6.708 1.00 0.00 C ATOM 872 CD PRO A 60 -21.494 0.487 -5.555 1.00 0.00 C ATOM 0 HA PRO A 60 -19.936 2.535 -7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -22.669 2.358 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -21.530 1.161 -8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -23.449 0.957 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -22.625 -0.328 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -21.977 0.680 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -21.084 -0.522 -5.507 1.00 0.00 H new ATOM 880 N GLY A 61 -21.239 3.861 -5.111 1.00 0.00 N ATOM 881 CA GLY A 61 -21.603 5.122 -4.489 1.00 0.00 C ATOM 882 C GLY A 61 -20.895 5.295 -3.144 1.00 0.00 C ATOM 883 O GLY A 61 -21.493 5.768 -2.179 1.00 0.00 O ATOM 0 H GLY A 61 -21.041 3.104 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.340 5.947 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.683 5.161 -4.343 1.00 0.00 H new ATOM 887 N SER A 62 -19.629 4.902 -3.123 1.00 0.00 N ATOM 888 CA SER A 62 -18.832 5.008 -1.913 1.00 0.00 C ATOM 889 C SER A 62 -18.212 6.403 -1.815 1.00 0.00 C ATOM 890 O SER A 62 -17.926 7.032 -2.833 1.00 0.00 O ATOM 891 CB SER A 62 -17.740 3.938 -1.877 1.00 0.00 C ATOM 892 OG SER A 62 -17.747 3.209 -0.653 1.00 0.00 O ATOM 0 H SER A 62 -19.136 4.510 -3.925 1.00 0.00 H new ATOM 0 HA SER A 62 -19.488 4.848 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.880 3.249 -2.710 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.766 4.409 -2.013 1.00 0.00 H new ATOM 0 HG SER A 62 -16.878 2.774 -0.527 1.00 0.00 H new ATOM 898 N ASN A 63 -18.022 6.847 -0.581 1.00 0.00 N ATOM 899 CA ASN A 63 -17.440 8.156 -0.338 1.00 0.00 C ATOM 900 C ASN A 63 -16.555 8.092 0.909 1.00 0.00 C ATOM 901 O ASN A 63 -16.836 8.751 1.909 1.00 0.00 O ATOM 902 CB ASN A 63 -18.527 9.204 -0.092 1.00 0.00 C ATOM 903 CG ASN A 63 -19.042 9.780 -1.413 1.00 0.00 C ATOM 904 OD1 ASN A 63 -19.867 9.195 -2.096 1.00 0.00 O ATOM 905 ND2 ASN A 63 -18.510 10.956 -1.734 1.00 0.00 N ATOM 0 H ASN A 63 -18.261 6.323 0.261 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.860 8.436 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -19.353 8.754 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -18.129 10.007 0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.788 11.423 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.824 11.391 -1.117 1.00 0.00 H new ATOM 912 N GLY A 64 -15.503 7.292 0.808 1.00 0.00 N ATOM 913 CA GLY A 64 -14.575 7.134 1.915 1.00 0.00 C ATOM 914 C GLY A 64 -13.128 7.124 1.420 1.00 0.00 C ATOM 915 O GLY A 64 -12.621 6.088 0.992 1.00 0.00 O ATOM 0 H GLY A 64 -15.273 6.747 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.713 7.946 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.789 6.205 2.444 1.00 0.00 H new ATOM 919 N GLN A 65 -12.503 8.290 1.495 1.00 0.00 N ATOM 920 CA GLN A 65 -11.124 8.429 1.060 1.00 0.00 C ATOM 921 C GLN A 65 -10.323 7.178 1.426 1.00 0.00 C ATOM 922 O GLN A 65 -10.325 6.751 2.580 1.00 0.00 O ATOM 923 CB GLN A 65 -10.484 9.684 1.657 1.00 0.00 C ATOM 924 CG GLN A 65 -11.161 10.950 1.126 1.00 0.00 C ATOM 925 CD GLN A 65 -10.571 12.202 1.778 1.00 0.00 C ATOM 926 OE1 GLN A 65 -9.390 12.280 2.075 1.00 0.00 O ATOM 927 NE2 GLN A 65 -11.456 13.173 1.984 1.00 0.00 N ATOM 0 H GLN A 65 -12.927 9.147 1.851 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.115 8.538 -0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.562 9.654 2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.422 9.706 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.038 11.006 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.232 10.904 1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.430 13.042 1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.161 14.049 2.415 1.00 0.00 H new ATOM 936 N TYR A 66 -9.656 6.626 0.423 1.00 0.00 N ATOM 937 CA TYR A 66 -8.852 5.432 0.626 1.00 0.00 C ATOM 938 C TYR A 66 -8.120 5.486 1.968 1.00 0.00 C ATOM 939 O TYR A 66 -7.267 6.346 2.180 1.00 0.00 O ATOM 940 CB TYR A 66 -7.821 5.422 -0.504 1.00 0.00 C ATOM 941 CG TYR A 66 -8.271 4.658 -1.751 1.00 0.00 C ATOM 942 CD1 TYR A 66 -8.993 5.304 -2.733 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.955 3.322 -1.893 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.417 4.585 -3.907 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.379 2.603 -3.066 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.089 3.270 -4.015 1.00 0.00 C ATOM 947 OH TYR A 66 -9.489 2.590 -5.123 1.00 0.00 O ATOM 0 H TYR A 66 -9.656 6.983 -0.532 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.480 4.541 0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.593 6.451 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.896 4.980 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.240 6.349 -2.622 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.390 2.816 -1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.982 5.079 -4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.139 1.557 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.910 2.826 -5.878 1.00 0.00 H new ATOM 957 N SER A 67 -8.480 4.555 2.840 1.00 0.00 N ATOM 958 CA SER A 67 -7.868 4.485 4.156 1.00 0.00 C ATOM 959 C SER A 67 -6.368 4.215 4.021 1.00 0.00 C ATOM 960 O SER A 67 -5.963 3.118 3.640 1.00 0.00 O ATOM 961 CB SER A 67 -8.528 3.404 5.013 1.00 0.00 C ATOM 962 OG SER A 67 -9.812 3.805 5.483 1.00 0.00 O ATOM 0 H SER A 67 -9.188 3.843 2.661 1.00 0.00 H new ATOM 0 HA SER A 67 -8.014 5.444 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.625 2.488 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.886 3.174 5.863 1.00 0.00 H new ATOM 0 HG SER A 67 -10.201 3.087 6.025 1.00 0.00 H new ATOM 968 N ILE A 68 -5.584 5.234 4.343 1.00 0.00 N ATOM 969 CA ILE A 68 -4.138 5.119 4.263 1.00 0.00 C ATOM 970 C ILE A 68 -3.600 4.570 5.586 1.00 0.00 C ATOM 971 O ILE A 68 -4.053 4.970 6.658 1.00 0.00 O ATOM 972 CB ILE A 68 -3.517 6.456 3.854 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.899 6.823 2.418 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.000 6.441 4.057 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.414 5.758 1.433 1.00 0.00 C ATOM 0 H ILE A 68 -5.923 6.142 4.660 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.854 4.410 3.485 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.922 7.233 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.981 6.929 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.465 7.789 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.583 7.403 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.775 6.258 5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.559 5.651 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.698 6.043 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.329 5.672 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.869 4.799 1.681 1.00 0.00 H new ATOM 987 N VAL A 69 -2.642 3.663 5.468 1.00 0.00 N ATOM 988 CA VAL A 69 -2.038 3.055 6.641 1.00 0.00 C ATOM 989 C VAL A 69 -0.516 3.174 6.544 1.00 0.00 C ATOM 990 O VAL A 69 0.098 2.610 5.640 1.00 0.00 O ATOM 991 CB VAL A 69 -2.517 1.610 6.787 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.755 1.530 7.683 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.789 0.981 5.419 1.00 0.00 C ATOM 0 H VAL A 69 -2.269 3.334 4.577 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.348 3.578 7.545 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.720 1.040 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.075 0.492 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.514 1.920 8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.559 2.122 7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.128 -0.046 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.559 1.553 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.874 0.987 4.827 1.00 0.00 H new ATOM 1003 N GLU A 70 0.050 3.910 7.489 1.00 0.00 N ATOM 1004 CA GLU A 70 1.489 4.110 7.522 1.00 0.00 C ATOM 1005 C GLU A 70 2.177 2.902 8.162 1.00 0.00 C ATOM 1006 O GLU A 70 1.695 2.363 9.156 1.00 0.00 O ATOM 1007 CB GLU A 70 1.847 5.400 8.262 1.00 0.00 C ATOM 1008 CG GLU A 70 3.287 5.356 8.776 1.00 0.00 C ATOM 1009 CD GLU A 70 3.934 6.742 8.714 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.701 7.432 7.698 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.647 7.079 9.683 1.00 0.00 O ATOM 0 H GLU A 70 -0.462 4.375 8.238 1.00 0.00 H new ATOM 0 HA GLU A 70 1.846 4.207 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.721 6.253 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.163 5.546 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.299 4.991 9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.868 4.652 8.180 1.00 0.00 H new ATOM 1018 N MET A 71 3.295 2.514 7.565 1.00 0.00 N ATOM 1019 CA MET A 71 4.055 1.380 8.063 1.00 0.00 C ATOM 1020 C MET A 71 5.554 1.580 7.831 1.00 0.00 C ATOM 1021 O MET A 71 5.973 2.615 7.315 1.00 0.00 O ATOM 1022 CB MET A 71 3.594 0.105 7.355 1.00 0.00 C ATOM 1023 CG MET A 71 3.794 0.215 5.842 1.00 0.00 C ATOM 1024 SD MET A 71 5.479 -0.193 5.418 1.00 0.00 S ATOM 1025 CE MET A 71 5.262 -1.877 4.870 1.00 0.00 C ATOM 0 H MET A 71 3.693 2.965 6.741 1.00 0.00 H new ATOM 0 HA MET A 71 3.881 1.293 9.136 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.152 -0.750 7.738 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.542 -0.077 7.574 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.108 -0.457 5.326 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.561 1.226 5.509 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.119 -2.474 5.182 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.353 -2.288 5.310 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.181 -1.898 3.783 1.00 0.00 H new ATOM 1035 N LYS A 72 6.320 0.573 8.223 1.00 0.00 N ATOM 1036 CA LYS A 72 7.763 0.625 8.064 1.00 0.00 C ATOM 1037 C LYS A 72 8.203 -0.459 7.079 1.00 0.00 C ATOM 1038 O LYS A 72 7.499 -1.449 6.885 1.00 0.00 O ATOM 1039 CB LYS A 72 8.456 0.537 9.425 1.00 0.00 C ATOM 1040 CG LYS A 72 8.174 -0.808 10.098 1.00 0.00 C ATOM 1041 CD LYS A 72 9.475 -1.553 10.401 1.00 0.00 C ATOM 1042 CE LYS A 72 9.882 -1.374 11.865 1.00 0.00 C ATOM 1043 NZ LYS A 72 11.037 -0.454 11.972 1.00 0.00 N ATOM 0 H LYS A 72 5.969 -0.284 8.650 1.00 0.00 H new ATOM 0 HA LYS A 72 8.065 1.583 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.531 0.666 9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.111 1.348 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.619 -0.647 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.544 -1.418 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.350 -2.613 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.269 -1.184 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.042 -0.981 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.138 -2.341 12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.301 -0.343 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.842 -0.845 11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.780 0.473 11.577 1.00 0.00 H new ATOM 1057 N ALA A 73 9.365 -0.237 6.483 1.00 0.00 N ATOM 1058 CA ALA A 73 9.907 -1.183 5.523 1.00 0.00 C ATOM 1059 C ALA A 73 10.772 -2.210 6.257 1.00 0.00 C ATOM 1060 O ALA A 73 11.818 -1.867 6.805 1.00 0.00 O ATOM 1061 CB ALA A 73 10.688 -0.427 4.446 1.00 0.00 C ATOM 0 H ALA A 73 9.947 0.585 6.647 1.00 0.00 H new ATOM 0 HA ALA A 73 9.104 -1.725 5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.095 -1.137 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.022 0.268 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.504 0.127 4.910 1.00 0.00 H new ATOM 1067 N THR A 74 10.302 -3.449 6.245 1.00 0.00 N ATOM 1068 CA THR A 74 11.019 -4.528 6.903 1.00 0.00 C ATOM 1069 C THR A 74 12.073 -5.118 5.964 1.00 0.00 C ATOM 1070 O THR A 74 12.766 -6.069 6.323 1.00 0.00 O ATOM 1071 CB THR A 74 9.991 -5.554 7.384 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.471 -6.115 6.182 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.776 -4.900 8.046 1.00 0.00 C ATOM 0 H THR A 74 9.433 -3.730 5.790 1.00 0.00 H new ATOM 0 HA THR A 74 11.569 -4.166 7.772 1.00 0.00 H new ATOM 0 HB THR A 74 10.464 -6.238 8.089 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.798 -6.792 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.078 -5.672 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.101 -4.320 8.910 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.283 -4.241 7.331 1.00 0.00 H new ATOM 1081 N GLY A 75 12.162 -4.529 4.781 1.00 0.00 N ATOM 1082 CA GLY A 75 13.120 -4.984 3.788 1.00 0.00 C ATOM 1083 C GLY A 75 12.713 -4.531 2.385 1.00 0.00 C ATOM 1084 O GLY A 75 12.129 -3.461 2.219 1.00 0.00 O ATOM 0 H GLY A 75 11.586 -3.740 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.110 -4.594 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.190 -6.071 3.817 1.00 0.00 H new ATOM 1088 N ASP A 76 13.038 -5.367 1.410 1.00 0.00 N ATOM 1089 CA ASP A 76 12.714 -5.065 0.026 1.00 0.00 C ATOM 1090 C ASP A 76 11.249 -5.420 -0.239 1.00 0.00 C ATOM 1091 O ASP A 76 10.555 -4.706 -0.960 1.00 0.00 O ATOM 1092 CB ASP A 76 13.580 -5.884 -0.933 1.00 0.00 C ATOM 1093 CG ASP A 76 14.992 -6.189 -0.430 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.572 -5.287 0.213 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.460 -7.316 -0.700 1.00 0.00 O ATOM 0 H ASP A 76 13.522 -6.253 1.551 1.00 0.00 H new ATOM 0 HA ASP A 76 12.897 -4.003 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.073 -6.826 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.656 -5.347 -1.879 1.00 0.00 H new ATOM 1100 N SER A 77 10.823 -6.523 0.359 1.00 0.00 N ATOM 1101 CA SER A 77 9.454 -6.981 0.197 1.00 0.00 C ATOM 1102 C SER A 77 8.649 -6.683 1.463 1.00 0.00 C ATOM 1103 O SER A 77 9.022 -7.108 2.555 1.00 0.00 O ATOM 1104 CB SER A 77 9.408 -8.477 -0.121 1.00 0.00 C ATOM 1105 OG SER A 77 9.809 -9.272 0.992 1.00 0.00 O ATOM 0 H SER A 77 11.402 -7.113 0.957 1.00 0.00 H new ATOM 0 HA SER A 77 9.011 -6.445 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.396 -8.753 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.059 -8.687 -0.970 1.00 0.00 H new ATOM 0 HG SER A 77 9.766 -8.735 1.810 1.00 0.00 H new ATOM 1111 N GLU A 78 7.559 -5.953 1.274 1.00 0.00 N ATOM 1112 CA GLU A 78 6.698 -5.592 2.388 1.00 0.00 C ATOM 1113 C GLU A 78 5.301 -6.185 2.192 1.00 0.00 C ATOM 1114 O GLU A 78 4.906 -6.495 1.069 1.00 0.00 O ATOM 1115 CB GLU A 78 6.630 -4.074 2.559 1.00 0.00 C ATOM 1116 CG GLU A 78 8.002 -3.500 2.920 1.00 0.00 C ATOM 1117 CD GLU A 78 8.476 -2.505 1.860 1.00 0.00 C ATOM 1118 OE1 GLU A 78 7.593 -1.901 1.213 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.711 -2.369 1.720 1.00 0.00 O ATOM 0 H GLU A 78 7.253 -5.602 0.367 1.00 0.00 H new ATOM 0 HA GLU A 78 7.124 -6.008 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.272 -3.616 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.911 -3.824 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.950 -3.006 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.726 -4.310 3.013 1.00 0.00 H new ATOM 1126 N VAL A 79 4.591 -6.326 3.302 1.00 0.00 N ATOM 1127 CA VAL A 79 3.247 -6.876 3.267 1.00 0.00 C ATOM 1128 C VAL A 79 2.430 -6.288 4.419 1.00 0.00 C ATOM 1129 O VAL A 79 2.970 -6.004 5.487 1.00 0.00 O ATOM 1130 CB VAL A 79 3.306 -8.404 3.295 1.00 0.00 C ATOM 1131 CG1 VAL A 79 4.044 -8.902 4.539 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.903 -9.009 3.210 1.00 0.00 C ATOM 0 H VAL A 79 4.922 -6.068 4.232 1.00 0.00 H new ATOM 0 HA VAL A 79 2.746 -6.601 2.339 1.00 0.00 H new ATOM 0 HB VAL A 79 3.866 -8.733 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.071 -9.992 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.062 -8.513 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.525 -8.556 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.974 -10.096 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.307 -8.667 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.427 -8.695 2.281 1.00 0.00 H new ATOM 1142 N TYR A 80 1.140 -6.124 4.164 1.00 0.00 N ATOM 1143 CA TYR A 80 0.243 -5.575 5.166 1.00 0.00 C ATOM 1144 C TYR A 80 -1.139 -6.226 5.081 1.00 0.00 C ATOM 1145 O TYR A 80 -1.766 -6.225 4.022 1.00 0.00 O ATOM 1146 CB TYR A 80 0.112 -4.085 4.844 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.346 -3.231 6.029 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.627 -3.366 6.523 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.523 -2.325 6.602 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.058 -2.562 7.637 1.00 0.00 C ATOM 1151 CE2 TYR A 80 0.093 -1.521 7.717 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.176 -1.679 8.179 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.583 -0.920 9.232 1.00 0.00 O ATOM 0 H TYR A 80 0.695 -6.362 3.278 1.00 0.00 H new ATOM 0 HA TYR A 80 0.632 -5.754 6.168 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.074 -3.714 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.596 -3.961 4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.307 -4.075 6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.525 -2.219 6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.058 -2.658 8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.763 -0.809 8.176 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.850 -0.336 9.517 1.00 0.00 H new ATOM 1163 N THR A 81 -1.574 -6.768 6.209 1.00 0.00 N ATOM 1164 CA THR A 81 -2.870 -7.422 6.275 1.00 0.00 C ATOM 1165 C THR A 81 -3.968 -6.399 6.570 1.00 0.00 C ATOM 1166 O THR A 81 -4.211 -6.059 7.727 1.00 0.00 O ATOM 1167 CB THR A 81 -2.783 -8.538 7.318 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.092 -9.588 6.646 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.151 -9.142 7.644 1.00 0.00 C ATOM 0 H THR A 81 -1.052 -6.768 7.085 1.00 0.00 H new ATOM 0 HA THR A 81 -3.136 -7.871 5.318 1.00 0.00 H new ATOM 0 HB THR A 81 -2.331 -8.148 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.990 -10.352 7.251 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.033 -9.929 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.807 -8.366 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.588 -9.562 6.738 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.604 -5.936 5.503 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.671 -4.959 5.633 1.00 0.00 C ATOM 1179 C LEU A 82 -6.933 -5.654 6.148 1.00 0.00 C ATOM 1180 O LEU A 82 -7.590 -6.384 5.408 1.00 0.00 O ATOM 1181 CB LEU A 82 -5.876 -4.210 4.314 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.717 -3.320 3.862 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.727 -3.138 2.343 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.734 -1.980 4.600 1.00 0.00 C ATOM 0 H LEU A 82 -4.400 -6.220 4.545 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.403 -4.198 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.073 -4.942 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.769 -3.592 4.405 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.783 -3.818 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.893 -2.501 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.631 -4.110 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.664 -2.673 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.900 -1.367 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.672 -1.463 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.643 -2.154 5.672 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.234 -5.401 7.414 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.406 -5.994 8.036 1.00 0.00 C ATOM 1198 C ASP A 83 -9.556 -4.985 8.012 1.00 0.00 C ATOM 1199 O ASP A 83 -9.389 -3.859 7.546 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.129 -6.359 9.496 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.178 -5.412 10.230 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.642 -4.308 10.588 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -6.009 -5.813 10.417 1.00 0.00 O ATOM 0 H ASP A 83 -6.687 -4.794 8.025 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.663 -6.896 7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.077 -6.387 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.713 -7.366 9.530 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.698 -5.425 8.519 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.875 -4.575 8.561 1.00 0.00 C ATOM 1210 C ASN A 84 -12.406 -4.375 7.140 1.00 0.00 C ATOM 1211 O ASN A 84 -12.480 -3.247 6.655 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.540 -3.198 9.139 1.00 0.00 C ATOM 1213 CG ASN A 84 -10.713 -3.328 10.419 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -10.672 -4.365 11.061 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.058 -2.219 10.755 1.00 0.00 N ATOM 0 H ASN A 84 -10.833 -6.360 8.904 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.619 -5.060 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.987 -2.615 8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.461 -2.654 9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.478 -2.203 11.594 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.136 -1.385 10.173 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.761 -5.487 6.514 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.283 -5.448 5.158 1.00 0.00 C ATOM 1224 C LEU A 85 -14.660 -6.113 5.127 1.00 0.00 C ATOM 1225 O LEU A 85 -15.113 -6.658 6.132 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.280 -6.063 4.180 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.813 -5.684 4.396 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.899 -6.470 3.454 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.612 -4.173 4.262 1.00 0.00 C ATOM 0 H LEU A 85 -12.698 -6.420 6.920 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.420 -4.417 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.366 -7.148 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.564 -5.773 3.169 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.536 -5.957 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.862 -6.182 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.015 -7.538 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.167 -6.252 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.561 -3.930 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.912 -3.853 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.219 -3.658 5.006 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.287 -6.048 3.961 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.603 -6.638 3.786 1.00 0.00 C ATOM 1243 C LYS A 86 -16.450 -8.102 3.369 1.00 0.00 C ATOM 1244 O LYS A 86 -15.334 -8.585 3.184 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.438 -5.805 2.811 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.834 -5.535 3.376 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.826 -5.213 2.257 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.771 -6.391 2.007 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.904 -5.973 1.152 1.00 0.00 N ATOM 0 H LYS A 86 -14.908 -5.596 3.129 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.152 -6.630 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.934 -4.860 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.522 -6.329 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.179 -6.406 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.791 -4.703 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.404 -4.328 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.283 -4.977 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.228 -7.206 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.146 -6.772 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.536 -6.784 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.432 -5.211 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.542 -5.631 0.239 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.588 -8.767 3.232 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.594 -10.166 2.840 1.00 0.00 C ATOM 1265 C LYS A 87 -17.898 -10.271 1.344 1.00 0.00 C ATOM 1266 O LYS A 87 -18.769 -9.569 0.833 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.557 -10.965 3.721 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.094 -10.965 5.179 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.287 -11.053 6.133 1.00 0.00 C ATOM 1270 CE LYS A 87 -19.883 -9.668 6.394 1.00 0.00 C ATOM 1271 NZ LYS A 87 -21.341 -9.767 6.629 1.00 0.00 N ATOM 0 H LYS A 87 -18.512 -8.363 3.385 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.611 -10.610 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.557 -10.537 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.623 -11.990 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.423 -11.807 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.526 -10.058 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -20.049 -11.707 5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.971 -11.501 7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.399 -9.215 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.689 -9.016 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -21.730 -8.818 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -21.800 -10.180 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.519 -10.372 7.456 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.162 -11.153 0.684 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.342 -11.359 -0.743 1.00 0.00 C ATOM 1287 C PHE A 88 -17.679 -10.044 -1.449 1.00 0.00 C ATOM 1288 O PHE A 88 -18.716 -9.933 -2.101 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.514 -12.329 -0.911 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.484 -13.119 -2.221 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.459 -13.976 -2.475 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -19.483 -12.966 -3.131 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.431 -14.710 -3.690 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -19.456 -13.699 -4.346 1.00 0.00 C ATOM 1295 CZ PHE A 88 -18.430 -14.556 -4.600 1.00 0.00 C ATOM 0 H PHE A 88 -16.440 -11.733 1.111 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.424 -11.750 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.515 -13.030 -0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.447 -11.768 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.666 -14.098 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.298 -12.286 -2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.617 -15.390 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.249 -13.577 -5.069 1.00 0.00 H new ATOM 0 HZ PHE A 88 -18.409 -15.114 -5.524 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.784 -9.080 -1.294 1.00 0.00 N ATOM 1306 CA ALA A 89 -16.973 -7.777 -1.908 1.00 0.00 C ATOM 1307 C ALA A 89 -15.666 -7.334 -2.568 1.00 0.00 C ATOM 1308 O ALA A 89 -14.582 -7.677 -2.098 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.460 -6.781 -0.853 1.00 0.00 C ATOM 0 H ALA A 89 -15.925 -9.175 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.735 -7.827 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.602 -5.803 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.406 -7.126 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.719 -6.703 -0.057 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.811 -6.579 -3.647 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.655 -6.086 -4.376 1.00 0.00 C ATOM 1317 C GLN A 90 -13.991 -4.941 -3.608 1.00 0.00 C ATOM 1318 O GLN A 90 -14.657 -3.984 -3.215 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.045 -5.645 -5.788 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.860 -4.998 -6.508 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.157 -4.814 -7.997 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -15.120 -5.336 -8.534 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -13.278 -4.044 -8.633 1.00 0.00 N ATOM 0 H GLN A 90 -16.712 -6.297 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.936 -6.899 -4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.395 -6.506 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.873 -4.938 -5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.639 -4.031 -6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.972 -5.618 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.493 -3.638 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.389 -3.860 -9.630 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.687 -5.077 -3.417 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.926 -4.066 -2.702 1.00 0.00 C ATOM 1334 C TYR A 91 -10.634 -3.724 -3.448 1.00 0.00 C ATOM 1335 O TYR A 91 -9.819 -4.604 -3.720 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.571 -4.684 -1.348 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.565 -4.352 -0.234 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -13.683 -5.140 -0.048 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -12.344 -3.265 0.587 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -14.618 -4.828 1.001 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -13.280 -2.952 1.636 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.371 -3.749 1.791 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.254 -3.455 2.782 1.00 0.00 O ATOM 0 H TYR A 91 -12.138 -5.872 -3.745 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.505 -3.148 -2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.513 -5.767 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.580 -4.340 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.856 -5.991 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.469 -2.649 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -15.496 -5.437 1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.119 -2.104 2.285 1.00 0.00 H new ATOM 0 HH TYR A 91 -16.024 -2.982 2.404 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.488 -2.444 -3.757 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.310 -1.975 -4.465 1.00 0.00 C ATOM 1355 C GLY A 92 -8.276 -1.403 -3.492 1.00 0.00 C ATOM 1356 O GLY A 92 -8.607 -0.572 -2.648 1.00 0.00 O ATOM 0 H GLY A 92 -11.167 -1.717 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.869 -2.797 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.596 -1.211 -5.188 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.046 -1.872 -3.642 1.00 0.00 N ATOM 1361 CA VAL A 93 -5.963 -1.418 -2.787 1.00 0.00 C ATOM 1362 C VAL A 93 -4.818 -0.894 -3.657 1.00 0.00 C ATOM 1363 O VAL A 93 -4.534 -1.450 -4.717 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.531 -2.544 -1.846 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -4.442 -2.068 -0.884 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -6.730 -3.109 -1.081 1.00 0.00 C ATOM 0 H VAL A 93 -6.776 -2.562 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.295 -0.594 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.113 -3.346 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.153 -2.888 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.573 -1.736 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.822 -1.240 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.396 -3.908 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.191 -2.317 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.459 -3.505 -1.788 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.191 0.170 -3.177 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.084 0.775 -3.897 1.00 0.00 C ATOM 1378 C VAL A 94 -1.891 0.929 -2.952 1.00 0.00 C ATOM 1379 O VAL A 94 -2.015 1.519 -1.880 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.527 2.099 -4.522 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.457 1.859 -5.713 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.193 3.001 -3.480 1.00 0.00 C ATOM 0 H VAL A 94 -4.429 0.629 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.767 0.134 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.637 2.611 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.757 2.816 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.935 1.273 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.342 1.317 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.499 3.936 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.069 2.498 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.487 3.213 -2.677 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.760 0.390 -3.385 1.00 0.00 N ATOM 1393 CA VAL A 95 0.455 0.461 -2.591 1.00 0.00 C ATOM 1394 C VAL A 95 1.412 1.475 -3.221 1.00 0.00 C ATOM 1395 O VAL A 95 1.492 1.582 -4.443 1.00 0.00 O ATOM 1396 CB VAL A 95 1.069 -0.933 -2.450 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.217 -0.926 -1.439 1.00 0.00 C ATOM 1398 CG2 VAL A 95 0.006 -1.965 -2.066 1.00 0.00 C ATOM 0 H VAL A 95 -0.660 -0.098 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 95 0.233 0.808 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 95 1.478 -1.219 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.636 -1.929 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.991 -0.235 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.843 -0.609 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.469 -2.947 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.446 -1.685 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.763 -1.999 -2.837 1.00 0.00 H new ATOM 1408 N GLN A 96 2.114 2.193 -2.357 1.00 0.00 N ATOM 1409 CA GLN A 96 3.062 3.195 -2.813 1.00 0.00 C ATOM 1410 C GLN A 96 4.193 3.358 -1.795 1.00 0.00 C ATOM 1411 O GLN A 96 3.970 3.247 -0.591 1.00 0.00 O ATOM 1412 CB GLN A 96 2.365 4.531 -3.075 1.00 0.00 C ATOM 1413 CG GLN A 96 1.266 4.788 -2.042 1.00 0.00 C ATOM 1414 CD GLN A 96 0.476 6.053 -2.386 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.744 6.060 -2.432 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.236 7.118 -2.624 1.00 0.00 N ATOM 0 H GLN A 96 2.045 2.101 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 96 3.493 2.856 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.096 5.339 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.935 4.531 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.591 3.933 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.709 4.890 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.252 7.042 -2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.803 8.010 -2.862 1.00 0.00 H new ATOM 1425 N ALA A 97 5.383 3.618 -2.317 1.00 0.00 N ATOM 1426 CA ALA A 97 6.549 3.797 -1.469 1.00 0.00 C ATOM 1427 C ALA A 97 6.705 5.281 -1.130 1.00 0.00 C ATOM 1428 O ALA A 97 6.549 6.139 -1.997 1.00 0.00 O ATOM 1429 CB ALA A 97 7.783 3.226 -2.170 1.00 0.00 C ATOM 0 H ALA A 97 5.565 3.709 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 97 6.428 3.256 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.658 3.360 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.633 2.163 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.938 3.747 -3.115 1.00 0.00 H new ATOM 1435 N PHE A 98 7.011 5.538 0.133 1.00 0.00 N ATOM 1436 CA PHE A 98 7.190 6.903 0.597 1.00 0.00 C ATOM 1437 C PHE A 98 8.441 7.026 1.470 1.00 0.00 C ATOM 1438 O PHE A 98 8.637 6.238 2.395 1.00 0.00 O ATOM 1439 CB PHE A 98 5.960 7.254 1.437 1.00 0.00 C ATOM 1440 CG PHE A 98 6.042 6.782 2.890 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.853 7.428 3.770 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.305 5.715 3.301 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.929 6.990 5.119 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.382 5.277 4.649 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.192 5.923 5.530 1.00 0.00 C ATOM 0 H PHE A 98 7.140 4.824 0.850 1.00 0.00 H new ATOM 0 HA PHE A 98 7.307 7.573 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.821 8.335 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.078 6.814 0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.439 8.274 3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.662 5.201 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.572 7.504 5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.797 4.430 4.975 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.250 5.589 6.555 1.00 0.00 H new ATOM 1455 N ASN A 99 9.254 8.020 1.146 1.00 0.00 N ATOM 1456 CA ASN A 99 10.480 8.256 1.889 1.00 0.00 C ATOM 1457 C ASN A 99 10.487 9.696 2.408 1.00 0.00 C ATOM 1458 O ASN A 99 9.559 10.459 2.145 1.00 0.00 O ATOM 1459 CB ASN A 99 11.709 8.070 0.997 1.00 0.00 C ATOM 1460 CG ASN A 99 11.583 8.889 -0.290 1.00 0.00 C ATOM 1461 OD1 ASN A 99 11.155 10.032 -0.289 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.977 8.243 -1.383 1.00 0.00 N ATOM 0 H ASN A 99 9.088 8.671 0.379 1.00 0.00 H new ATOM 0 HA ASN A 99 10.519 7.541 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.605 8.373 1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.827 7.015 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.931 8.704 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.325 7.287 -1.313 1.00 0.00 H new ATOM 1469 N ARG A 100 11.545 10.023 3.137 1.00 0.00 N ATOM 1470 CA ARG A 100 11.685 11.356 3.695 1.00 0.00 C ATOM 1471 C ARG A 100 11.750 12.397 2.576 1.00 0.00 C ATOM 1472 O ARG A 100 11.447 13.569 2.794 1.00 0.00 O ATOM 1473 CB ARG A 100 12.945 11.464 4.556 1.00 0.00 C ATOM 1474 CG ARG A 100 12.609 11.315 6.041 1.00 0.00 C ATOM 1475 CD ARG A 100 11.994 12.601 6.596 1.00 0.00 C ATOM 1476 NE ARG A 100 11.186 12.298 7.798 1.00 0.00 N ATOM 1477 CZ ARG A 100 10.304 13.147 8.344 1.00 0.00 C ATOM 1478 NH1 ARG A 100 10.112 14.356 7.799 1.00 0.00 N ATOM 1479 NH2 ARG A 100 9.615 12.787 9.435 1.00 0.00 N ATOM 0 H ARG A 100 12.313 9.387 3.353 1.00 0.00 H new ATOM 0 HA ARG A 100 10.813 11.545 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.658 10.694 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.426 12.427 4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.914 10.487 6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.513 11.070 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.782 13.312 6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.369 13.072 5.837 1.00 0.00 H new ATOM 0 HE ARG A 100 11.308 11.386 8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.637 14.630 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.441 15.002 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.762 11.867 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.944 13.433 9.851 1.00 0.00 H new ATOM 1493 N ALA A 101 12.148 11.931 1.401 1.00 0.00 N ATOM 1494 CA ALA A 101 12.258 12.807 0.247 1.00 0.00 C ATOM 1495 C ALA A 101 10.856 13.143 -0.267 1.00 0.00 C ATOM 1496 O ALA A 101 10.652 14.188 -0.884 1.00 0.00 O ATOM 1497 CB ALA A 101 13.125 12.138 -0.822 1.00 0.00 C ATOM 0 H ALA A 101 12.398 10.958 1.224 1.00 0.00 H new ATOM 0 HA ALA A 101 12.743 13.744 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.207 12.795 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.118 11.946 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.668 11.196 -1.124 1.00 0.00 H new ATOM 1503 N GLY A 102 9.927 12.239 0.007 1.00 0.00 N ATOM 1504 CA GLY A 102 8.551 12.427 -0.420 1.00 0.00 C ATOM 1505 C GLY A 102 7.866 11.082 -0.669 1.00 0.00 C ATOM 1506 O GLY A 102 8.341 10.045 -0.211 1.00 0.00 O ATOM 0 H GLY A 102 10.100 11.374 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.003 12.983 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.528 13.025 -1.331 1.00 0.00 H new ATOM 1510 N THR A 103 6.759 11.144 -1.395 1.00 0.00 N ATOM 1511 CA THR A 103 6.003 9.944 -1.710 1.00 0.00 C ATOM 1512 C THR A 103 6.011 9.690 -3.219 1.00 0.00 C ATOM 1513 O THR A 103 6.077 10.630 -4.010 1.00 0.00 O ATOM 1514 CB THR A 103 4.597 10.104 -1.129 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.822 10.426 0.241 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.829 8.782 -1.080 1.00 0.00 C ATOM 0 H THR A 103 6.368 12.006 -1.774 1.00 0.00 H new ATOM 0 HA THR A 103 6.457 9.061 -1.260 1.00 0.00 H new ATOM 0 HB THR A 103 4.038 10.826 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.962 10.549 0.694 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.838 8.952 -0.659 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.731 8.380 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.370 8.070 -0.457 1.00 0.00 H new ATOM 1524 N GLY A 104 5.943 8.415 -3.573 1.00 0.00 N ATOM 1525 CA GLY A 104 5.942 8.025 -4.972 1.00 0.00 C ATOM 1526 C GLY A 104 4.522 7.722 -5.456 1.00 0.00 C ATOM 1527 O GLY A 104 3.565 7.833 -4.691 1.00 0.00 O ATOM 0 H GLY A 104 5.888 7.638 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.373 8.823 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.572 7.146 -5.109 1.00 0.00 H new ATOM 1531 N PRO A 105 4.429 7.335 -6.756 1.00 0.00 N ATOM 1532 CA PRO A 105 3.142 7.016 -7.351 1.00 0.00 C ATOM 1533 C PRO A 105 2.641 5.651 -6.873 1.00 0.00 C ATOM 1534 O PRO A 105 3.409 4.861 -6.325 1.00 0.00 O ATOM 1535 CB PRO A 105 3.378 7.070 -8.852 1.00 0.00 C ATOM 1536 CG PRO A 105 4.882 6.959 -9.041 1.00 0.00 C ATOM 1537 CD PRO A 105 5.541 7.193 -7.692 1.00 0.00 C ATOM 0 HA PRO A 105 2.358 7.715 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.859 6.256 -9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.999 8.001 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.146 5.975 -9.429 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.230 7.693 -9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.186 6.359 -7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.164 8.087 -7.705 1.00 0.00 H new ATOM 1545 N SER A 106 1.357 5.416 -7.099 1.00 0.00 N ATOM 1546 CA SER A 106 0.744 4.161 -6.698 1.00 0.00 C ATOM 1547 C SER A 106 0.780 3.167 -7.860 1.00 0.00 C ATOM 1548 O SER A 106 0.975 3.557 -9.010 1.00 0.00 O ATOM 1549 CB SER A 106 -0.695 4.376 -6.227 1.00 0.00 C ATOM 1550 OG SER A 106 -1.474 5.076 -7.194 1.00 0.00 O ATOM 0 H SER A 106 0.724 6.073 -7.555 1.00 0.00 H new ATOM 0 HA SER A 106 1.313 3.754 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.157 3.411 -6.019 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.691 4.935 -5.291 1.00 0.00 H new ATOM 0 HG SER A 106 -2.387 5.192 -6.857 1.00 0.00 H new ATOM 1556 N SER A 107 0.589 1.900 -7.520 1.00 0.00 N ATOM 1557 CA SER A 107 0.597 0.847 -8.521 1.00 0.00 C ATOM 1558 C SER A 107 -0.829 0.572 -9.002 1.00 0.00 C ATOM 1559 O SER A 107 -1.794 1.022 -8.386 1.00 0.00 O ATOM 1560 CB SER A 107 1.227 -0.433 -7.969 1.00 0.00 C ATOM 1561 OG SER A 107 0.256 -1.301 -7.392 1.00 0.00 O ATOM 0 H SER A 107 0.428 1.579 -6.565 1.00 0.00 H new ATOM 0 HA SER A 107 1.200 1.182 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.749 -0.955 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.974 -0.175 -7.218 1.00 0.00 H new ATOM 0 HG SER A 107 0.262 -2.159 -7.865 1.00 0.00 H new ATOM 1567 N SER A 108 -0.918 -0.167 -10.098 1.00 0.00 N ATOM 1568 CA SER A 108 -2.210 -0.508 -10.669 1.00 0.00 C ATOM 1569 C SER A 108 -3.201 -0.849 -9.554 1.00 0.00 C ATOM 1570 O SER A 108 -2.927 -1.708 -8.717 1.00 0.00 O ATOM 1571 CB SER A 108 -2.088 -1.678 -11.647 1.00 0.00 C ATOM 1572 OG SER A 108 -0.746 -1.871 -12.085 1.00 0.00 O ATOM 0 H SER A 108 -0.116 -0.539 -10.606 1.00 0.00 H new ATOM 0 HA SER A 108 -2.579 0.356 -11.222 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.448 -2.589 -11.169 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.728 -1.497 -12.510 1.00 0.00 H new ATOM 0 HG SER A 108 -0.710 -2.628 -12.706 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.331 -0.158 -9.579 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.364 -0.377 -8.581 1.00 0.00 C ATOM 1580 C GLU A 109 -5.809 -1.841 -8.590 1.00 0.00 C ATOM 1581 O GLU A 109 -6.786 -2.192 -9.250 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.553 0.559 -8.808 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.630 0.344 -7.743 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.873 1.185 -8.044 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.742 2.427 -7.999 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.926 0.566 -8.312 1.00 0.00 O ATOM 0 H GLU A 109 -4.554 0.554 -10.275 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.948 -0.150 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.215 1.595 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.975 0.384 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.901 -0.711 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.235 0.610 -6.762 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.071 -2.655 -7.850 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.378 -4.073 -7.764 1.00 0.00 C ATOM 1595 C ILE A 110 -6.673 -4.263 -6.972 1.00 0.00 C ATOM 1596 O ILE A 110 -7.163 -3.327 -6.343 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.188 -4.845 -7.192 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.850 -4.364 -5.780 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -2.981 -4.765 -8.129 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.656 -5.132 -5.209 1.00 0.00 C ATOM 0 H ILE A 110 -4.261 -2.360 -7.304 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.548 -4.487 -8.758 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.467 -5.896 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.625 -3.298 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.715 -4.495 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.149 -5.322 -7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.243 -5.193 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.691 -3.723 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.437 -4.770 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.893 -6.195 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.786 -4.979 -5.847 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.190 -5.482 -7.028 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.418 -5.807 -6.323 1.00 0.00 C ATOM 1614 C ASN A 111 -8.375 -7.271 -5.880 1.00 0.00 C ATOM 1615 O ASN A 111 -7.481 -8.017 -6.277 1.00 0.00 O ATOM 1616 CB ASN A 111 -9.638 -5.623 -7.228 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.475 -6.405 -8.533 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.728 -7.706 -8.420 1.00 0.00 O flip ATOM 1619 ND2 ASN A 111 -9.142 -5.863 -9.575 1.00 0.00 N flip ATOM 0 H ASN A 111 -6.781 -6.256 -7.551 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.501 -5.139 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.535 -5.959 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.775 -4.564 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.963 -4.859 -9.593 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.043 -6.414 -10.428 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.352 -7.638 -5.064 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.436 -9.000 -4.563 1.00 0.00 C ATOM 1628 C ALA A 112 -10.730 -9.165 -3.764 1.00 0.00 C ATOM 1629 O ALA A 112 -10.816 -8.727 -2.618 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.192 -9.316 -3.730 1.00 0.00 C ATOM 0 H ALA A 112 -10.092 -7.017 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.464 -9.712 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.255 -10.337 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.302 -9.212 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.131 -8.624 -2.890 1.00 0.00 H new ATOM 1636 N THR A 113 -11.705 -9.798 -4.401 1.00 0.00 N ATOM 1637 CA THR A 113 -12.990 -10.026 -3.764 1.00 0.00 C ATOM 1638 C THR A 113 -12.848 -11.033 -2.620 1.00 0.00 C ATOM 1639 O THR A 113 -12.662 -12.225 -2.858 1.00 0.00 O ATOM 1640 CB THR A 113 -13.981 -10.468 -4.842 1.00 0.00 C ATOM 1641 OG1 THR A 113 -13.957 -9.406 -5.792 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.426 -10.486 -4.339 1.00 0.00 C ATOM 0 H THR A 113 -11.630 -10.160 -5.352 1.00 0.00 H new ATOM 0 HA THR A 113 -13.371 -9.113 -3.306 1.00 0.00 H new ATOM 0 HB THR A 113 -13.709 -11.462 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.571 -9.611 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.087 -10.807 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.511 -11.179 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.710 -9.486 -4.013 1.00 0.00 H new ATOM 1650 N THR A 114 -12.940 -10.516 -1.404 1.00 0.00 N ATOM 1651 CA THR A 114 -12.823 -11.355 -0.223 1.00 0.00 C ATOM 1652 C THR A 114 -13.579 -12.669 -0.426 1.00 0.00 C ATOM 1653 O THR A 114 -14.449 -12.762 -1.291 1.00 0.00 O ATOM 1654 CB THR A 114 -13.318 -10.549 0.980 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.577 -10.034 0.558 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.471 -9.301 1.236 1.00 0.00 C ATOM 0 H THR A 114 -13.094 -9.526 -1.211 1.00 0.00 H new ATOM 0 HA THR A 114 -11.786 -11.638 -0.039 1.00 0.00 H new ATOM 0 HB THR A 114 -13.311 -11.181 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.985 -9.526 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.864 -8.765 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.439 -9.595 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.505 -8.652 0.361 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.220 -13.653 0.385 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.853 -14.958 0.305 1.00 0.00 C ATOM 1666 C LEU A 115 -15.373 -14.786 0.348 1.00 0.00 C ATOM 1667 O LEU A 115 -15.871 -13.672 0.499 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.309 -15.885 1.394 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.811 -16.189 1.329 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.258 -15.923 -0.072 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.047 -15.412 2.404 1.00 0.00 C ATOM 0 H LEU A 115 -12.498 -13.573 1.101 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.612 -15.441 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.527 -15.440 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.853 -16.828 1.346 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.668 -17.250 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.191 -16.147 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.775 -16.556 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.413 -14.876 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.985 -15.646 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.193 -14.342 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.418 -15.694 3.389 1.00 0.00 H new ATOM 1683 N GLU A 116 -16.068 -15.906 0.211 1.00 0.00 N ATOM 1684 CA GLU A 116 -17.520 -15.893 0.232 1.00 0.00 C ATOM 1685 C GLU A 116 -18.033 -16.134 1.653 1.00 0.00 C ATOM 1686 O GLU A 116 -19.226 -15.993 1.919 1.00 0.00 O ATOM 1687 CB GLU A 116 -18.092 -16.927 -0.740 1.00 0.00 C ATOM 1688 CG GLU A 116 -19.595 -17.113 -0.522 1.00 0.00 C ATOM 1689 CD GLU A 116 -20.345 -15.794 -0.723 1.00 0.00 C ATOM 1690 OE1 GLU A 116 -20.001 -14.831 -0.004 1.00 0.00 O ATOM 1691 OE2 GLU A 116 -21.245 -15.780 -1.590 1.00 0.00 O ATOM 0 H GLU A 116 -15.652 -16.829 0.085 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.859 -14.910 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -17.907 -16.608 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.581 -17.880 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.977 -17.862 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -19.776 -17.489 0.485 1.00 0.00 H new ATOM 1698 N SER A 117 -17.107 -16.494 2.529 1.00 0.00 N ATOM 1699 CA SER A 117 -17.450 -16.756 3.916 1.00 0.00 C ATOM 1700 C SER A 117 -18.353 -17.988 4.008 1.00 0.00 C ATOM 1701 O SER A 117 -19.572 -17.862 4.117 1.00 0.00 O ATOM 1702 CB SER A 117 -18.137 -15.546 4.552 1.00 0.00 C ATOM 1703 OG SER A 117 -17.270 -14.846 5.441 1.00 0.00 O ATOM 0 H SER A 117 -16.119 -16.610 2.305 1.00 0.00 H new ATOM 0 HA SER A 117 -16.528 -16.947 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.477 -14.869 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 117 -19.023 -15.876 5.094 1.00 0.00 H new ATOM 0 HG SER A 117 -17.745 -14.080 5.825 1.00 0.00 H new ATOM 1709 N GLY A 118 -17.721 -19.151 3.961 1.00 0.00 N ATOM 1710 CA GLY A 118 -18.452 -20.404 4.037 1.00 0.00 C ATOM 1711 C GLY A 118 -17.494 -21.593 4.141 1.00 0.00 C ATOM 1712 O GLY A 118 -16.280 -21.411 4.214 1.00 0.00 O ATOM 0 H GLY A 118 -16.710 -19.252 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.115 -20.390 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -19.082 -20.516 3.154 1.00 0.00 H new ATOM 1716 N PRO A 119 -18.092 -22.814 4.144 1.00 0.00 N ATOM 1717 CA PRO A 119 -17.305 -24.032 4.238 1.00 0.00 C ATOM 1718 C PRO A 119 -16.608 -24.338 2.910 1.00 0.00 C ATOM 1719 O PRO A 119 -17.034 -23.865 1.858 1.00 0.00 O ATOM 1720 CB PRO A 119 -18.295 -25.109 4.651 1.00 0.00 C ATOM 1721 CG PRO A 119 -19.672 -24.557 4.322 1.00 0.00 C ATOM 1722 CD PRO A 119 -19.527 -23.067 4.059 1.00 0.00 C ATOM 0 HA PRO A 119 -16.495 -23.955 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -18.108 -26.038 4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -18.208 -25.333 5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -20.086 -25.060 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -20.361 -24.733 5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -19.919 -22.798 3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -20.077 -22.480 4.794 1.00 0.00 H new ATOM 1730 N SER A 120 -15.548 -25.127 3.003 1.00 0.00 N ATOM 1731 CA SER A 120 -14.788 -25.502 1.823 1.00 0.00 C ATOM 1732 C SER A 120 -14.013 -26.794 2.088 1.00 0.00 C ATOM 1733 O SER A 120 -13.796 -27.167 3.240 1.00 0.00 O ATOM 1734 CB SER A 120 -13.830 -24.384 1.407 1.00 0.00 C ATOM 1735 OG SER A 120 -13.121 -24.705 0.213 1.00 0.00 O ATOM 0 H SER A 120 -15.197 -25.517 3.878 1.00 0.00 H new ATOM 0 HA SER A 120 -15.488 -25.668 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.392 -23.462 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.119 -24.198 2.212 1.00 0.00 H new ATOM 0 HG SER A 120 -12.521 -23.966 -0.020 1.00 0.00 H new ATOM 1741 N SER A 121 -13.618 -27.443 1.002 1.00 0.00 N ATOM 1742 CA SER A 121 -12.872 -28.685 1.103 1.00 0.00 C ATOM 1743 C SER A 121 -12.189 -28.996 -0.231 1.00 0.00 C ATOM 1744 O SER A 121 -12.832 -28.976 -1.280 1.00 0.00 O ATOM 1745 CB SER A 121 -13.783 -29.843 1.515 1.00 0.00 C ATOM 1746 OG SER A 121 -13.154 -30.709 2.456 1.00 0.00 O ATOM 0 H SER A 121 -13.801 -27.132 0.048 1.00 0.00 H new ATOM 0 HA SER A 121 -12.111 -28.565 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 121 -14.702 -29.446 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 121 -14.067 -30.413 0.631 1.00 0.00 H new ATOM 0 HG SER A 121 -13.769 -31.434 2.695 1.00 0.00 H new ATOM 1752 N GLY A 122 -10.897 -29.275 -0.148 1.00 0.00 N ATOM 1753 CA GLY A 122 -10.121 -29.589 -1.335 1.00 0.00 C ATOM 1754 C GLY A 122 -10.493 -30.968 -1.885 1.00 0.00 C ATOM 1755 O GLY A 122 -9.624 -31.723 -2.318 1.00 0.00 O ATOM 0 H GLY A 122 -10.368 -29.290 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -10.294 -28.830 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -9.058 -29.564 -1.096 1.00 0.00 H new TER 1759 GLY A 122