USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= -0.867! C(o=0.27!,f=-4!) USER MOD Set 1.2: A 90 SER OG : rot 95:sc= 1.14 USER MOD Set 2.1: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 92 SER OG : rot -170:sc= -0.184 USER MOD Set 3.1: A 40 TYR OH : rot 133:sc= 0.213! USER MOD Set 3.2: A 50 GLN : amide:sc= -2.1! C(o=-1.9!,f=-9.6!) USER MOD Set 4.1: A 30 SER OG : rot 64:sc= 1.04 USER MOD Set 4.2: A 78 GLN :FLIP amide:sc= -1.13 F(o=-3.8!,f=-0.091) USER MOD Set 5.1: A 21 SER OG : rot -74:sc= -1.54! USER MOD Set 5.2: A 62 ASN : amide:sc=-0.00538 K(o=-1.5,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ -130:sc= -1.85! (180deg=-5.03!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.149 K(o=-0.15,f=-0.89) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 11 SER OG : rot -38:sc= -0.454! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 49:sc= -6.07! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -154:sc= -0.334 USER MOD Single : A 43 SER OG : rot 109:sc= -2.15 USER MOD Single : A 51 TYR OH : rot 44:sc= 0.152 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -4.61! USER MOD Single : A 85 GLN :FLIP amide:sc= -3.03 F(o=-11!,f=-3) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.694 F(o=-2.7!,f=-0.69) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -161:sc= -0.926 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.716 -10.839 -20.918 1.00 0.00 N ATOM 2 CA GLY A 1 -16.778 -10.991 -19.436 1.00 0.00 C ATOM 3 C GLY A 1 -15.726 -11.998 -18.983 1.00 0.00 C ATOM 4 O GLY A 1 -14.859 -11.686 -18.167 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.673 -9.829 -21.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.868 -11.319 -21.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.564 -11.263 -21.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.607 -10.029 -18.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.771 -11.326 -19.135 1.00 0.00 H new ATOM 10 N PRO A 2 -15.790 -13.192 -19.502 1.00 0.00 N ATOM 11 CA PRO A 2 -14.829 -14.280 -19.156 1.00 0.00 C ATOM 12 C PRO A 2 -13.379 -13.827 -19.300 1.00 0.00 C ATOM 13 O PRO A 2 -13.094 -12.843 -19.984 1.00 0.00 O ATOM 14 CB PRO A 2 -15.155 -15.392 -20.156 1.00 0.00 C ATOM 15 CG PRO A 2 -16.560 -15.142 -20.590 1.00 0.00 C ATOM 16 CD PRO A 2 -16.794 -13.637 -20.480 1.00 0.00 C ATOM 0 HA PRO A 2 -14.928 -14.597 -18.118 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.472 -15.368 -21.005 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.056 -16.375 -19.695 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.715 -15.484 -21.613 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.262 -15.689 -19.961 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -16.662 -13.141 -21.442 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.806 -13.414 -20.143 1.00 0.00 H new ATOM 24 N LEU A 3 -12.466 -14.547 -18.654 1.00 0.00 N ATOM 25 CA LEU A 3 -11.052 -14.199 -18.725 1.00 0.00 C ATOM 26 C LEU A 3 -10.589 -14.146 -20.177 1.00 0.00 C ATOM 27 O LEU A 3 -9.771 -13.305 -20.550 1.00 0.00 O ATOM 28 CB LEU A 3 -10.214 -15.231 -17.964 1.00 0.00 C ATOM 29 CG LEU A 3 -10.426 -15.067 -16.457 1.00 0.00 C ATOM 30 CD1 LEU A 3 -11.392 -16.141 -15.955 1.00 0.00 C ATOM 31 CD2 LEU A 3 -9.082 -15.215 -15.738 1.00 0.00 C ATOM 0 H LEU A 3 -12.677 -15.365 -18.082 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.919 -13.217 -18.270 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.495 -16.238 -18.272 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.159 -15.106 -18.207 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.844 -14.081 -16.254 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.542 -16.023 -14.882 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.348 -16.039 -16.468 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.976 -17.128 -16.157 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.229 -15.099 -14.664 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.667 -16.202 -15.943 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.392 -14.450 -16.095 1.00 0.00 H new ATOM 43 N GLY A 4 -11.115 -15.052 -20.993 1.00 0.00 N ATOM 44 CA GLY A 4 -10.745 -15.098 -22.402 1.00 0.00 C ATOM 45 C GLY A 4 -9.316 -15.604 -22.564 1.00 0.00 C ATOM 46 O GLY A 4 -8.840 -16.413 -21.766 1.00 0.00 O ATOM 0 H GLY A 4 -11.793 -15.758 -20.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.431 -15.750 -22.943 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.837 -14.104 -22.841 1.00 0.00 H new ATOM 50 N SER A 5 -8.633 -15.121 -23.597 1.00 0.00 N ATOM 51 CA SER A 5 -7.255 -15.530 -23.843 1.00 0.00 C ATOM 52 C SER A 5 -6.369 -15.133 -22.668 1.00 0.00 C ATOM 53 O SER A 5 -6.603 -14.112 -22.020 1.00 0.00 O ATOM 54 CB SER A 5 -6.734 -14.874 -25.121 1.00 0.00 C ATOM 55 OG SER A 5 -7.521 -15.305 -26.225 1.00 0.00 O ATOM 0 H SER A 5 -9.007 -14.453 -24.271 1.00 0.00 H new ATOM 0 HA SER A 5 -7.230 -16.614 -23.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.778 -13.789 -25.030 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.689 -15.139 -25.279 1.00 0.00 H new ATOM 0 HG SER A 5 -7.190 -14.885 -27.046 1.00 0.00 H new ATOM 61 N HIS A 6 -5.352 -15.942 -22.397 1.00 0.00 N ATOM 62 CA HIS A 6 -4.440 -15.656 -21.296 1.00 0.00 C ATOM 63 C HIS A 6 -3.006 -16.015 -21.677 1.00 0.00 C ATOM 64 O HIS A 6 -2.730 -17.134 -22.107 1.00 0.00 O ATOM 65 CB HIS A 6 -4.850 -16.454 -20.056 1.00 0.00 C ATOM 66 CG HIS A 6 -5.624 -17.676 -20.474 1.00 0.00 C ATOM 67 ND1 HIS A 6 -5.044 -18.703 -21.200 1.00 0.00 N ATOM 68 CD2 HIS A 6 -6.928 -18.052 -20.268 1.00 0.00 C ATOM 69 CE1 HIS A 6 -5.988 -19.640 -21.404 1.00 0.00 C ATOM 70 NE2 HIS A 6 -7.157 -19.292 -20.858 1.00 0.00 N ATOM 0 H HIS A 6 -5.139 -16.793 -22.918 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.491 -14.589 -21.078 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.965 -16.747 -19.491 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.458 -15.834 -19.397 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -4.077 -18.742 -21.522 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.664 -17.474 -19.730 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.821 -20.561 -21.943 1.00 0.00 H new ATOM 79 N LEU A 7 -2.098 -15.059 -21.514 1.00 0.00 N ATOM 80 CA LEU A 7 -0.695 -15.289 -21.838 1.00 0.00 C ATOM 81 C LEU A 7 0.214 -14.554 -20.859 1.00 0.00 C ATOM 82 O LEU A 7 0.647 -13.433 -21.121 1.00 0.00 O ATOM 83 CB LEU A 7 -0.405 -14.816 -23.263 1.00 0.00 C ATOM 84 CG LEU A 7 -0.998 -15.811 -24.263 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.013 -15.186 -25.659 1.00 0.00 C ATOM 86 CD2 LEU A 7 -0.141 -17.079 -24.285 1.00 0.00 C ATOM 0 H LEU A 7 -2.306 -14.124 -21.162 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.496 -16.358 -21.762 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.832 -13.826 -23.423 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.671 -14.728 -23.416 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.016 -16.061 -23.966 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.435 -15.895 -26.371 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.620 -14.280 -25.646 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.005 -14.936 -25.957 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.561 -17.790 -24.997 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.876 -16.825 -24.583 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.127 -17.526 -23.291 1.00 0.00 H new ATOM 98 N VAL A 8 0.505 -15.200 -19.732 1.00 0.00 N ATOM 99 CA VAL A 8 1.370 -14.608 -18.715 1.00 0.00 C ATOM 100 C VAL A 8 1.339 -13.083 -18.794 1.00 0.00 C ATOM 101 O VAL A 8 2.361 -12.421 -18.609 1.00 0.00 O ATOM 102 CB VAL A 8 2.804 -15.100 -18.905 1.00 0.00 C ATOM 103 CG1 VAL A 8 3.307 -14.681 -20.287 1.00 0.00 C ATOM 104 CG2 VAL A 8 3.700 -14.485 -17.830 1.00 0.00 C ATOM 0 H VAL A 8 0.156 -16.130 -19.501 1.00 0.00 H new ATOM 0 HA VAL A 8 1.004 -14.913 -17.735 1.00 0.00 H new ATOM 0 HB VAL A 8 2.830 -16.187 -18.822 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.330 -15.032 -20.424 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.668 -15.118 -21.055 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.282 -13.594 -20.369 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.723 -14.836 -17.965 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.675 -13.398 -17.913 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.342 -14.782 -16.844 1.00 0.00 H new ATOM 114 N ALA A 9 0.163 -12.532 -19.071 1.00 0.00 N ATOM 115 CA ALA A 9 0.009 -11.085 -19.177 1.00 0.00 C ATOM 116 C ALA A 9 0.281 -10.409 -17.836 1.00 0.00 C ATOM 117 O ALA A 9 0.026 -10.982 -16.776 1.00 0.00 O ATOM 118 CB ALA A 9 -1.409 -10.745 -19.639 1.00 0.00 C ATOM 0 H ALA A 9 -0.695 -13.062 -19.226 1.00 0.00 H new ATOM 0 HA ALA A 9 0.731 -10.718 -19.906 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.517 -9.663 -19.716 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.593 -11.198 -20.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.129 -11.131 -18.918 1.00 0.00 H new ATOM 124 N THR A 10 0.792 -9.182 -17.894 1.00 0.00 N ATOM 125 CA THR A 10 1.088 -8.419 -16.684 1.00 0.00 C ATOM 126 C THR A 10 2.173 -9.095 -15.845 1.00 0.00 C ATOM 127 O THR A 10 2.567 -8.579 -14.800 1.00 0.00 O ATOM 128 CB THR A 10 -0.180 -8.273 -15.844 1.00 0.00 C ATOM 129 OG1 THR A 10 -1.316 -8.304 -16.696 1.00 0.00 O ATOM 130 CG2 THR A 10 -0.140 -6.946 -15.087 1.00 0.00 C ATOM 0 H THR A 10 1.009 -8.695 -18.764 1.00 0.00 H new ATOM 0 HA THR A 10 1.453 -7.438 -16.989 1.00 0.00 H new ATOM 0 HB THR A 10 -0.241 -9.094 -15.129 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.130 -8.212 -16.159 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.044 -6.842 -14.488 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.732 -6.926 -14.434 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.079 -6.123 -15.799 1.00 0.00 H new ATOM 138 N SER A 11 2.651 -10.246 -16.301 1.00 0.00 N ATOM 139 CA SER A 11 3.687 -10.968 -15.569 1.00 0.00 C ATOM 140 C SER A 11 3.434 -10.885 -14.065 1.00 0.00 C ATOM 141 O SER A 11 2.336 -11.185 -13.597 1.00 0.00 O ATOM 142 CB SER A 11 5.060 -10.376 -15.890 1.00 0.00 C ATOM 143 OG SER A 11 5.292 -9.249 -15.054 1.00 0.00 O ATOM 0 H SER A 11 2.344 -10.696 -17.163 1.00 0.00 H new ATOM 0 HA SER A 11 3.662 -12.014 -15.874 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.837 -11.125 -15.735 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.106 -10.081 -16.938 1.00 0.00 H new ATOM 0 HG SER A 11 4.458 -8.747 -14.942 1.00 0.00 H new ATOM 149 N GLU A 12 4.453 -10.473 -13.316 1.00 0.00 N ATOM 150 CA GLU A 12 4.322 -10.352 -11.867 1.00 0.00 C ATOM 151 C GLU A 12 4.076 -8.902 -11.461 1.00 0.00 C ATOM 152 O GLU A 12 4.790 -7.996 -11.892 1.00 0.00 O ATOM 153 CB GLU A 12 5.585 -10.870 -11.178 1.00 0.00 C ATOM 154 CG GLU A 12 6.771 -9.969 -11.526 1.00 0.00 C ATOM 155 CD GLU A 12 8.051 -10.546 -10.936 1.00 0.00 C ATOM 156 OE1 GLU A 12 7.949 -11.478 -10.156 1.00 0.00 O ATOM 157 OE2 GLU A 12 9.113 -10.049 -11.273 1.00 0.00 O ATOM 0 H GLU A 12 5.370 -10.219 -13.684 1.00 0.00 H new ATOM 0 HA GLU A 12 3.467 -10.951 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.438 -10.893 -10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.789 -11.893 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.867 -9.881 -12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.602 -8.965 -11.138 1.00 0.00 H new ATOM 164 N SER A 13 3.058 -8.691 -10.633 1.00 0.00 N ATOM 165 CA SER A 13 2.721 -7.347 -10.176 1.00 0.00 C ATOM 166 C SER A 13 3.395 -7.023 -8.842 1.00 0.00 C ATOM 167 O SER A 13 3.175 -5.956 -8.276 1.00 0.00 O ATOM 168 CB SER A 13 1.205 -7.214 -10.028 1.00 0.00 C ATOM 169 OG SER A 13 0.759 -8.065 -8.982 1.00 0.00 O ATOM 0 H SER A 13 2.455 -9.428 -10.267 1.00 0.00 H new ATOM 0 HA SER A 13 3.084 -6.640 -10.921 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.939 -6.180 -9.809 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.712 -7.479 -10.963 1.00 0.00 H new ATOM 0 HG SER A 13 -0.212 -7.981 -8.883 1.00 0.00 H new ATOM 175 N VAL A 14 4.206 -7.947 -8.340 1.00 0.00 N ATOM 176 CA VAL A 14 4.890 -7.735 -7.065 1.00 0.00 C ATOM 177 C VAL A 14 6.392 -7.564 -7.268 1.00 0.00 C ATOM 178 O VAL A 14 7.180 -7.811 -6.355 1.00 0.00 O ATOM 179 CB VAL A 14 4.630 -8.917 -6.128 1.00 0.00 C ATOM 180 CG1 VAL A 14 3.162 -8.913 -5.692 1.00 0.00 C ATOM 181 CG2 VAL A 14 4.936 -10.223 -6.864 1.00 0.00 C ATOM 0 H VAL A 14 4.406 -8.841 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 14 4.496 -6.822 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 14 5.270 -8.831 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.978 -9.755 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.940 -7.982 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.522 -8.999 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.752 -11.067 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.294 -10.305 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.980 -10.228 -7.177 1.00 0.00 H new ATOM 191 N THR A 15 6.782 -7.143 -8.465 1.00 0.00 N ATOM 192 CA THR A 15 8.196 -6.950 -8.775 1.00 0.00 C ATOM 193 C THR A 15 8.970 -6.466 -7.549 1.00 0.00 C ATOM 194 O THR A 15 10.013 -7.022 -7.206 1.00 0.00 O ATOM 195 CB THR A 15 8.347 -5.929 -9.908 1.00 0.00 C ATOM 196 OG1 THR A 15 8.637 -6.610 -11.120 1.00 0.00 O ATOM 197 CG2 THR A 15 9.484 -4.959 -9.575 1.00 0.00 C ATOM 0 H THR A 15 6.145 -6.930 -9.233 1.00 0.00 H new ATOM 0 HA THR A 15 8.606 -7.911 -9.086 1.00 0.00 H new ATOM 0 HB THR A 15 7.419 -5.369 -10.021 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.732 -5.959 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.591 -4.233 -10.381 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.257 -4.438 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.415 -5.515 -9.461 1.00 0.00 H new ATOM 205 N GLU A 16 8.474 -5.420 -6.899 1.00 0.00 N ATOM 206 CA GLU A 16 9.161 -4.902 -5.727 1.00 0.00 C ATOM 207 C GLU A 16 9.078 -5.945 -4.630 1.00 0.00 C ATOM 208 O GLU A 16 8.697 -5.661 -3.494 1.00 0.00 O ATOM 209 CB GLU A 16 8.545 -3.578 -5.261 1.00 0.00 C ATOM 210 CG GLU A 16 7.167 -3.389 -5.891 1.00 0.00 C ATOM 211 CD GLU A 16 6.267 -4.573 -5.555 1.00 0.00 C ATOM 212 OE1 GLU A 16 6.654 -5.369 -4.717 1.00 0.00 O ATOM 213 OE2 GLU A 16 5.199 -4.663 -6.139 1.00 0.00 O ATOM 0 H GLU A 16 7.620 -4.925 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 16 10.203 -4.700 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.461 -3.570 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.196 -2.748 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.716 -2.466 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.264 -3.292 -6.972 1.00 0.00 H new ATOM 220 N ILE A 17 9.421 -7.170 -5.008 1.00 0.00 N ATOM 221 CA ILE A 17 9.375 -8.294 -4.094 1.00 0.00 C ATOM 222 C ILE A 17 10.254 -8.042 -2.876 1.00 0.00 C ATOM 223 O ILE A 17 10.170 -8.760 -1.880 1.00 0.00 O ATOM 224 CB ILE A 17 9.867 -9.548 -4.814 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.046 -9.763 -6.093 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.707 -10.756 -3.890 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.643 -10.923 -6.890 1.00 0.00 C ATOM 0 H ILE A 17 9.736 -7.407 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 17 8.346 -8.427 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 17 10.918 -9.429 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.008 -9.977 -5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.046 -8.855 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.057 -11.653 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.293 -10.601 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.656 -10.875 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.061 -11.077 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.674 -10.690 -7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.619 -11.830 -6.286 1.00 0.00 H new ATOM 239 N THR A 18 11.097 -7.017 -2.955 1.00 0.00 N ATOM 240 CA THR A 18 11.977 -6.696 -1.842 1.00 0.00 C ATOM 241 C THR A 18 11.157 -6.536 -0.572 1.00 0.00 C ATOM 242 O THR A 18 9.955 -6.282 -0.631 1.00 0.00 O ATOM 243 CB THR A 18 12.742 -5.402 -2.129 1.00 0.00 C ATOM 244 OG1 THR A 18 11.819 -4.337 -2.308 1.00 0.00 O ATOM 245 CG2 THR A 18 13.582 -5.571 -3.395 1.00 0.00 C ATOM 0 H THR A 18 11.188 -6.404 -3.765 1.00 0.00 H new ATOM 0 HA THR A 18 12.693 -7.507 -1.712 1.00 0.00 H new ATOM 0 HB THR A 18 13.399 -5.176 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.308 -3.507 -2.490 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.126 -4.648 -3.597 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.291 -6.387 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.929 -5.799 -4.237 1.00 0.00 H new ATOM 253 N ALA A 19 11.802 -6.700 0.575 1.00 0.00 N ATOM 254 CA ALA A 19 11.098 -6.582 1.844 1.00 0.00 C ATOM 255 C ALA A 19 9.689 -7.154 1.710 1.00 0.00 C ATOM 256 O ALA A 19 8.766 -6.734 2.408 1.00 0.00 O ATOM 257 CB ALA A 19 11.022 -5.116 2.272 1.00 0.00 C ATOM 0 H ALA A 19 12.797 -6.912 0.653 1.00 0.00 H new ATOM 0 HA ALA A 19 11.644 -7.143 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.493 -5.041 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.030 -4.717 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.488 -4.543 1.514 1.00 0.00 H new ATOM 263 N SER A 20 9.534 -8.118 0.806 1.00 0.00 N ATOM 264 CA SER A 20 8.236 -8.747 0.584 1.00 0.00 C ATOM 265 C SER A 20 7.176 -7.700 0.259 1.00 0.00 C ATOM 266 O SER A 20 6.000 -7.875 0.580 1.00 0.00 O ATOM 267 CB SER A 20 7.817 -9.523 1.829 1.00 0.00 C ATOM 268 OG SER A 20 8.285 -8.843 2.986 1.00 0.00 O ATOM 0 H SER A 20 10.286 -8.478 0.219 1.00 0.00 H new ATOM 0 HA SER A 20 8.326 -9.429 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.732 -9.619 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.225 -10.533 1.797 1.00 0.00 H new ATOM 0 HG SER A 20 8.042 -7.895 2.929 1.00 0.00 H new ATOM 274 N SER A 21 7.602 -6.615 -0.371 1.00 0.00 N ATOM 275 CA SER A 21 6.690 -5.533 -0.727 1.00 0.00 C ATOM 276 C SER A 21 5.570 -6.022 -1.635 1.00 0.00 C ATOM 277 O SER A 21 5.546 -7.176 -2.064 1.00 0.00 O ATOM 278 CB SER A 21 7.454 -4.435 -1.462 1.00 0.00 C ATOM 279 OG SER A 21 6.967 -4.346 -2.792 1.00 0.00 O ATOM 0 H SER A 21 8.572 -6.459 -0.647 1.00 0.00 H new ATOM 0 HA SER A 21 6.257 -5.152 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.328 -3.481 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.521 -4.656 -1.466 1.00 0.00 H new ATOM 0 HG SER A 21 7.296 -5.108 -3.313 1.00 0.00 H new ATOM 285 N PHE A 22 4.660 -5.106 -1.942 1.00 0.00 N ATOM 286 CA PHE A 22 3.538 -5.397 -2.823 1.00 0.00 C ATOM 287 C PHE A 22 3.152 -4.151 -3.604 1.00 0.00 C ATOM 288 O PHE A 22 3.198 -3.042 -3.079 1.00 0.00 O ATOM 289 CB PHE A 22 2.277 -5.786 -2.043 1.00 0.00 C ATOM 290 CG PHE A 22 2.351 -7.139 -1.371 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.070 -8.216 -1.919 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.628 -7.316 -0.191 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.055 -9.460 -1.276 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.620 -8.554 0.452 1.00 0.00 C ATOM 295 CZ PHE A 22 2.331 -9.626 -0.091 1.00 0.00 C ATOM 0 H PHE A 22 4.679 -4.149 -1.590 1.00 0.00 H new ATOM 0 HA PHE A 22 3.865 -6.215 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.085 -5.027 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.426 -5.778 -2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.632 -8.084 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.072 -6.490 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.603 -10.291 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.064 -8.683 1.369 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.322 -10.585 0.405 1.00 0.00 H new ATOM 305 N VAL A 23 2.699 -4.344 -4.831 1.00 0.00 N ATOM 306 CA VAL A 23 2.227 -3.225 -5.624 1.00 0.00 C ATOM 307 C VAL A 23 0.777 -3.492 -5.993 1.00 0.00 C ATOM 308 O VAL A 23 0.488 -4.299 -6.877 1.00 0.00 O ATOM 309 CB VAL A 23 3.073 -3.030 -6.883 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.291 -2.185 -7.887 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.358 -2.296 -6.515 1.00 0.00 C ATOM 0 H VAL A 23 2.649 -5.252 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 23 2.311 -2.307 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 23 3.311 -4.000 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.889 -2.043 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.362 -2.694 -8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.062 -1.215 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.965 -2.154 -7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.112 -1.325 -6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.917 -2.884 -5.787 1.00 0.00 H new ATOM 321 N VAL A 24 -0.133 -2.833 -5.287 1.00 0.00 N ATOM 322 CA VAL A 24 -1.554 -3.035 -5.522 1.00 0.00 C ATOM 323 C VAL A 24 -2.191 -1.814 -6.160 1.00 0.00 C ATOM 324 O VAL A 24 -1.933 -0.679 -5.759 1.00 0.00 O ATOM 325 CB VAL A 24 -2.258 -3.342 -4.198 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.767 -3.439 -4.431 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.743 -4.674 -3.647 1.00 0.00 C ATOM 0 H VAL A 24 0.086 -2.160 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.664 -3.875 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.052 -2.545 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.267 -3.658 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.136 -2.493 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.974 -4.236 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.243 -4.895 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.951 -5.469 -4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.668 -4.608 -3.481 1.00 0.00 H new ATOM 337 N SER A 25 -3.040 -2.061 -7.150 1.00 0.00 N ATOM 338 CA SER A 25 -3.731 -0.985 -7.835 1.00 0.00 C ATOM 339 C SER A 25 -5.233 -1.203 -7.755 1.00 0.00 C ATOM 340 O SER A 25 -5.701 -2.337 -7.658 1.00 0.00 O ATOM 341 CB SER A 25 -3.287 -0.914 -9.294 1.00 0.00 C ATOM 342 OG SER A 25 -3.603 -2.138 -9.944 1.00 0.00 O ATOM 0 H SER A 25 -3.264 -2.995 -7.493 1.00 0.00 H new ATOM 0 HA SER A 25 -3.482 -0.041 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.783 -0.084 -9.797 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.215 -0.726 -9.351 1.00 0.00 H new ATOM 0 HG SER A 25 -3.320 -2.093 -10.881 1.00 0.00 H new ATOM 348 N TRP A 26 -5.981 -0.113 -7.790 1.00 0.00 N ATOM 349 CA TRP A 26 -7.429 -0.196 -7.713 1.00 0.00 C ATOM 350 C TRP A 26 -8.062 0.868 -8.593 1.00 0.00 C ATOM 351 O TRP A 26 -7.371 1.573 -9.327 1.00 0.00 O ATOM 352 CB TRP A 26 -7.880 0.001 -6.267 1.00 0.00 C ATOM 353 CG TRP A 26 -7.304 1.275 -5.742 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.828 2.505 -5.942 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.104 1.468 -4.937 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.028 3.441 -5.313 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.953 2.851 -4.679 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.144 0.586 -4.411 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.887 3.343 -3.926 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.067 1.078 -3.653 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.941 2.454 -3.411 1.00 0.00 C ATOM 0 H TRP A 26 -5.612 0.834 -7.871 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.745 -1.179 -8.062 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -8.968 0.031 -6.214 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.554 -0.839 -5.654 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.726 2.721 -6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.210 4.445 -5.317 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.234 -0.475 -4.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.794 4.403 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.333 0.393 -3.255 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.112 2.826 -2.826 1.00 0.00 H new ATOM 372 N VAL A 27 -9.377 0.986 -8.504 1.00 0.00 N ATOM 373 CA VAL A 27 -10.091 1.977 -9.286 1.00 0.00 C ATOM 374 C VAL A 27 -10.690 3.016 -8.356 1.00 0.00 C ATOM 375 O VAL A 27 -11.308 2.675 -7.349 1.00 0.00 O ATOM 376 CB VAL A 27 -11.203 1.311 -10.099 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.921 2.366 -10.942 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.595 0.251 -11.022 1.00 0.00 C ATOM 0 H VAL A 27 -9.967 0.411 -7.902 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.394 2.457 -9.973 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.915 0.840 -9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.713 1.892 -11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.354 3.122 -10.287 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.209 2.837 -11.619 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.387 -0.224 -11.602 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.883 0.723 -11.699 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.082 -0.502 -10.423 1.00 0.00 H new ATOM 388 N SER A 28 -10.502 4.283 -8.688 1.00 0.00 N ATOM 389 CA SER A 28 -11.034 5.345 -7.854 1.00 0.00 C ATOM 390 C SER A 28 -12.491 5.062 -7.528 1.00 0.00 C ATOM 391 O SER A 28 -13.036 5.577 -6.550 1.00 0.00 O ATOM 392 CB SER A 28 -10.917 6.689 -8.570 1.00 0.00 C ATOM 393 OG SER A 28 -11.463 6.571 -9.877 1.00 0.00 O ATOM 0 H SER A 28 -9.994 4.597 -9.515 1.00 0.00 H new ATOM 0 HA SER A 28 -10.459 5.387 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.446 7.460 -8.010 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.872 6.995 -8.626 1.00 0.00 H new ATOM 0 HG SER A 28 -11.392 7.432 -10.340 1.00 0.00 H new ATOM 399 N ALA A 29 -13.109 4.227 -8.351 1.00 0.00 N ATOM 400 CA ALA A 29 -14.501 3.853 -8.153 1.00 0.00 C ATOM 401 C ALA A 29 -15.359 5.062 -7.803 1.00 0.00 C ATOM 402 O ALA A 29 -16.543 4.921 -7.492 1.00 0.00 O ATOM 403 CB ALA A 29 -14.601 2.815 -7.035 1.00 0.00 C ATOM 0 H ALA A 29 -12.667 3.796 -9.163 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.873 3.432 -9.087 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.645 2.537 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.024 1.931 -7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.205 3.236 -6.111 1.00 0.00 H new ATOM 409 N SER A 30 -14.765 6.248 -7.851 1.00 0.00 N ATOM 410 CA SER A 30 -15.499 7.462 -7.534 1.00 0.00 C ATOM 411 C SER A 30 -14.621 8.689 -7.738 1.00 0.00 C ATOM 412 O SER A 30 -13.458 8.704 -7.339 1.00 0.00 O ATOM 413 CB SER A 30 -15.977 7.412 -6.085 1.00 0.00 C ATOM 414 OG SER A 30 -17.214 6.713 -6.020 1.00 0.00 O ATOM 0 H SER A 30 -13.787 6.393 -8.104 1.00 0.00 H new ATOM 0 HA SER A 30 -16.358 7.531 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.233 6.916 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.097 8.423 -5.695 1.00 0.00 H new ATOM 0 HG SER A 30 -17.078 5.782 -6.294 1.00 0.00 H new ATOM 420 N ASP A 31 -15.185 9.720 -8.353 1.00 0.00 N ATOM 421 CA ASP A 31 -14.441 10.948 -8.591 1.00 0.00 C ATOM 422 C ASP A 31 -14.699 11.943 -7.465 1.00 0.00 C ATOM 423 O ASP A 31 -14.231 13.081 -7.507 1.00 0.00 O ATOM 424 CB ASP A 31 -14.855 11.563 -9.930 1.00 0.00 C ATOM 425 CG ASP A 31 -16.313 12.005 -9.871 1.00 0.00 C ATOM 426 OD1 ASP A 31 -16.843 12.083 -8.775 1.00 0.00 O ATOM 427 OD2 ASP A 31 -16.878 12.259 -10.923 1.00 0.00 O ATOM 0 H ASP A 31 -16.147 9.731 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.377 10.712 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.217 12.416 -10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.719 10.837 -10.731 1.00 0.00 H new ATOM 432 N THR A 32 -15.447 11.500 -6.459 1.00 0.00 N ATOM 433 CA THR A 32 -15.767 12.345 -5.322 1.00 0.00 C ATOM 434 C THR A 32 -14.757 12.133 -4.205 1.00 0.00 C ATOM 435 O THR A 32 -14.913 12.657 -3.101 1.00 0.00 O ATOM 436 CB THR A 32 -17.164 11.998 -4.813 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.167 10.668 -4.311 1.00 0.00 O ATOM 438 CG2 THR A 32 -18.172 12.116 -5.955 1.00 0.00 C ATOM 0 H THR A 32 -15.841 10.560 -6.411 1.00 0.00 H new ATOM 0 HA THR A 32 -15.733 13.388 -5.635 1.00 0.00 H new ATOM 0 HB THR A 32 -17.441 12.689 -4.017 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.063 10.444 -3.982 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.168 11.868 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.170 13.137 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.898 11.428 -6.755 1.00 0.00 H new ATOM 446 N VAL A 33 -13.726 11.349 -4.495 1.00 0.00 N ATOM 447 CA VAL A 33 -12.702 11.057 -3.506 1.00 0.00 C ATOM 448 C VAL A 33 -11.701 12.202 -3.391 1.00 0.00 C ATOM 449 O VAL A 33 -11.240 12.744 -4.397 1.00 0.00 O ATOM 450 CB VAL A 33 -11.968 9.769 -3.892 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.504 9.850 -5.347 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.754 9.576 -2.985 1.00 0.00 C ATOM 0 H VAL A 33 -13.579 10.907 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.188 10.932 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.648 8.925 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.983 8.931 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.369 9.980 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.829 10.698 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.235 8.659 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.078 10.424 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.082 9.507 -1.948 1.00 0.00 H new ATOM 462 N SER A 34 -11.367 12.555 -2.155 1.00 0.00 N ATOM 463 CA SER A 34 -10.410 13.630 -1.905 1.00 0.00 C ATOM 464 C SER A 34 -9.019 13.042 -1.722 1.00 0.00 C ATOM 465 O SER A 34 -8.014 13.751 -1.761 1.00 0.00 O ATOM 466 CB SER A 34 -10.808 14.408 -0.650 1.00 0.00 C ATOM 467 OG SER A 34 -11.877 15.291 -0.962 1.00 0.00 O ATOM 0 H SER A 34 -11.741 12.116 -1.314 1.00 0.00 H new ATOM 0 HA SER A 34 -10.409 14.309 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.109 13.718 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.955 14.971 -0.272 1.00 0.00 H new ATOM 0 HG SER A 34 -11.867 16.049 -0.341 1.00 0.00 H new ATOM 473 N GLY A 35 -8.981 11.730 -1.528 1.00 0.00 N ATOM 474 CA GLY A 35 -7.728 11.015 -1.344 1.00 0.00 C ATOM 475 C GLY A 35 -8.012 9.542 -1.088 1.00 0.00 C ATOM 476 O GLY A 35 -9.168 9.135 -0.999 1.00 0.00 O ATOM 0 H GLY A 35 -9.811 11.137 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.101 11.126 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.175 11.440 -0.506 1.00 0.00 H new ATOM 480 N PHE A 36 -6.961 8.747 -0.965 1.00 0.00 N ATOM 481 CA PHE A 36 -7.135 7.325 -0.712 1.00 0.00 C ATOM 482 C PHE A 36 -6.362 6.898 0.522 1.00 0.00 C ATOM 483 O PHE A 36 -5.327 7.472 0.852 1.00 0.00 O ATOM 484 CB PHE A 36 -6.652 6.502 -1.910 1.00 0.00 C ATOM 485 CG PHE A 36 -7.575 6.712 -3.080 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.725 5.923 -3.220 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.283 7.696 -4.028 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.582 6.122 -4.309 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.137 7.894 -5.115 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.285 7.110 -5.256 1.00 0.00 C ATOM 0 H PHE A 36 -5.991 9.056 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.198 7.146 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.637 6.795 -2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.619 5.445 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.950 5.162 -2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.397 8.304 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.469 5.516 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.910 8.654 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.944 7.266 -6.097 1.00 0.00 H new ATOM 500 N ARG A 37 -6.861 5.871 1.188 1.00 0.00 N ATOM 501 CA ARG A 37 -6.197 5.357 2.369 1.00 0.00 C ATOM 502 C ARG A 37 -6.089 3.848 2.260 1.00 0.00 C ATOM 503 O ARG A 37 -7.089 3.152 2.074 1.00 0.00 O ATOM 504 CB ARG A 37 -6.968 5.728 3.636 1.00 0.00 C ATOM 505 CG ARG A 37 -6.069 5.508 4.855 1.00 0.00 C ATOM 506 CD ARG A 37 -6.809 5.937 6.124 1.00 0.00 C ATOM 507 NE ARG A 37 -7.861 4.981 6.441 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.348 4.878 7.674 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.884 5.644 8.622 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.290 4.014 7.934 1.00 0.00 N ATOM 0 H ARG A 37 -7.718 5.381 0.932 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.203 5.800 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.289 6.769 3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.869 5.120 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.785 4.458 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.148 6.081 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.108 6.007 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.239 6.929 5.985 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.231 4.380 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.149 6.321 8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.256 5.566 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.653 3.417 7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.663 3.936 8.880 1.00 0.00 H new ATOM 524 N VAL A 38 -4.873 3.346 2.368 1.00 0.00 N ATOM 525 CA VAL A 38 -4.656 1.912 2.270 1.00 0.00 C ATOM 526 C VAL A 38 -4.307 1.335 3.630 1.00 0.00 C ATOM 527 O VAL A 38 -3.487 1.891 4.360 1.00 0.00 O ATOM 528 CB VAL A 38 -3.531 1.612 1.279 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.472 0.105 1.021 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.801 2.345 -0.038 1.00 0.00 C ATOM 0 H VAL A 38 -4.030 3.900 2.521 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.577 1.449 1.915 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.581 1.949 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.671 -0.112 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.281 -0.417 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.422 -0.231 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.999 2.131 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.750 2.008 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.846 3.418 0.146 1.00 0.00 H new ATOM 540 N GLU A 39 -4.931 0.217 3.969 1.00 0.00 N ATOM 541 CA GLU A 39 -4.668 -0.420 5.246 1.00 0.00 C ATOM 542 C GLU A 39 -4.181 -1.843 5.026 1.00 0.00 C ATOM 543 O GLU A 39 -4.833 -2.631 4.342 1.00 0.00 O ATOM 544 CB GLU A 39 -5.941 -0.450 6.092 1.00 0.00 C ATOM 545 CG GLU A 39 -5.602 -0.894 7.517 1.00 0.00 C ATOM 546 CD GLU A 39 -6.886 -1.123 8.308 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.950 -0.985 7.727 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.788 -1.429 9.486 1.00 0.00 O ATOM 0 H GLU A 39 -5.615 -0.262 3.384 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.901 0.152 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.402 0.538 6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.667 -1.133 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.012 -1.810 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.992 -0.136 8.008 1.00 0.00 H new ATOM 555 N TYR A 40 -3.042 -2.175 5.620 1.00 0.00 N ATOM 556 CA TYR A 40 -2.501 -3.516 5.481 1.00 0.00 C ATOM 557 C TYR A 40 -2.016 -4.046 6.824 1.00 0.00 C ATOM 558 O TYR A 40 -1.339 -3.347 7.577 1.00 0.00 O ATOM 559 CB TYR A 40 -1.367 -3.537 4.450 1.00 0.00 C ATOM 560 CG TYR A 40 -0.197 -2.718 4.935 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.136 -1.349 4.646 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.836 -3.328 5.656 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.955 -0.590 5.080 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.930 -2.568 6.089 1.00 0.00 C ATOM 565 CZ TYR A 40 1.988 -1.199 5.802 1.00 0.00 C ATOM 566 OH TYR A 40 3.064 -0.448 6.230 1.00 0.00 O ATOM 0 H TYR A 40 -2.484 -1.543 6.194 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.299 -4.169 5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.050 -4.564 4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.725 -3.143 3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.932 -0.879 4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.790 -4.384 5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.001 0.466 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.728 -3.038 6.644 1.00 0.00 H new ATOM 0 HH TYR A 40 3.252 -0.652 7.170 1.00 0.00 H new ATOM 576 N GLU A 41 -2.384 -5.289 7.118 1.00 0.00 N ATOM 577 CA GLU A 41 -2.004 -5.922 8.373 1.00 0.00 C ATOM 578 C GLU A 41 -1.815 -7.423 8.171 1.00 0.00 C ATOM 579 O GLU A 41 -2.232 -7.974 7.155 1.00 0.00 O ATOM 580 CB GLU A 41 -3.096 -5.682 9.415 1.00 0.00 C ATOM 581 CG GLU A 41 -4.297 -6.580 9.109 1.00 0.00 C ATOM 582 CD GLU A 41 -5.469 -6.213 10.013 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.369 -6.452 11.204 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.450 -5.697 9.500 1.00 0.00 O ATOM 0 H GLU A 41 -2.946 -5.877 6.502 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.065 -5.490 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.714 -5.894 10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.399 -4.635 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.586 -6.471 8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.027 -7.625 9.257 1.00 0.00 H new ATOM 591 N LEU A 42 -1.190 -8.081 9.143 1.00 0.00 N ATOM 592 CA LEU A 42 -0.968 -9.520 9.044 1.00 0.00 C ATOM 593 C LEU A 42 -2.257 -10.295 9.290 1.00 0.00 C ATOM 594 O LEU A 42 -2.950 -10.072 10.281 1.00 0.00 O ATOM 595 CB LEU A 42 0.096 -9.959 10.053 1.00 0.00 C ATOM 596 CG LEU A 42 1.457 -9.422 9.614 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.506 -9.739 10.682 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.851 -10.098 8.300 1.00 0.00 C ATOM 0 H LEU A 42 -0.833 -7.649 9.995 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.623 -9.737 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.152 -9.586 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.125 -11.047 10.119 1.00 0.00 H new ATOM 0 HG LEU A 42 1.401 -8.342 9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.475 -9.354 10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.220 -9.270 11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.571 -10.818 10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.822 -9.723 7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.909 -11.176 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.103 -9.877 7.538 1.00 0.00 H new ATOM 610 N SER A 43 -2.566 -11.211 8.376 1.00 0.00 N ATOM 611 CA SER A 43 -3.772 -12.022 8.497 1.00 0.00 C ATOM 612 C SER A 43 -3.587 -13.089 9.572 1.00 0.00 C ATOM 613 O SER A 43 -4.554 -13.701 10.026 1.00 0.00 O ATOM 614 CB SER A 43 -4.069 -12.716 7.170 1.00 0.00 C ATOM 615 OG SER A 43 -3.260 -13.878 7.064 1.00 0.00 O ATOM 0 H SER A 43 -2.002 -11.409 7.549 1.00 0.00 H new ATOM 0 HA SER A 43 -4.599 -11.366 8.769 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.124 -12.985 7.114 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.868 -12.040 6.339 1.00 0.00 H new ATOM 0 HG SER A 43 -3.820 -14.676 7.159 1.00 0.00 H new ATOM 621 N GLU A 44 -2.337 -13.318 9.958 1.00 0.00 N ATOM 622 CA GLU A 44 -2.031 -14.332 10.961 1.00 0.00 C ATOM 623 C GLU A 44 -1.810 -13.705 12.331 1.00 0.00 C ATOM 624 O GLU A 44 -2.571 -13.942 13.267 1.00 0.00 O ATOM 625 CB GLU A 44 -0.763 -15.084 10.552 1.00 0.00 C ATOM 626 CG GLU A 44 -0.964 -15.701 9.168 1.00 0.00 C ATOM 627 CD GLU A 44 0.272 -16.501 8.771 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.268 -16.399 9.469 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.204 -17.202 7.776 1.00 0.00 O ATOM 0 H GLU A 44 -1.524 -12.820 9.595 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.879 -15.015 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.089 -14.404 10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.538 -15.863 11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.841 -16.349 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.151 -14.917 8.434 1.00 0.00 H new ATOM 636 N GLU A 45 -0.751 -12.917 12.440 1.00 0.00 N ATOM 637 CA GLU A 45 -0.417 -12.271 13.697 1.00 0.00 C ATOM 638 C GLU A 45 -1.521 -11.315 14.124 1.00 0.00 C ATOM 639 O GLU A 45 -1.770 -11.130 15.314 1.00 0.00 O ATOM 640 CB GLU A 45 0.892 -11.503 13.537 1.00 0.00 C ATOM 641 CG GLU A 45 2.002 -12.473 13.132 1.00 0.00 C ATOM 642 CD GLU A 45 3.336 -11.737 13.061 1.00 0.00 C ATOM 643 OE1 GLU A 45 3.331 -10.525 13.206 1.00 0.00 O ATOM 644 OE2 GLU A 45 4.344 -12.396 12.862 1.00 0.00 O ATOM 0 H GLU A 45 -0.110 -12.711 11.674 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.308 -13.036 14.466 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.780 -10.725 12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.151 -11.005 14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.065 -13.288 13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.771 -12.919 12.165 1.00 0.00 H new ATOM 651 N GLY A 46 -2.173 -10.700 13.145 1.00 0.00 N ATOM 652 CA GLY A 46 -3.241 -9.757 13.438 1.00 0.00 C ATOM 653 C GLY A 46 -2.661 -8.493 14.057 1.00 0.00 C ATOM 654 O GLY A 46 -3.373 -7.716 14.693 1.00 0.00 O ATOM 0 H GLY A 46 -1.983 -10.836 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.781 -9.510 12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.960 -10.210 14.121 1.00 0.00 H new ATOM 658 N ASP A 47 -1.358 -8.300 13.868 1.00 0.00 N ATOM 659 CA ASP A 47 -0.674 -7.139 14.411 1.00 0.00 C ATOM 660 C ASP A 47 -1.452 -5.870 14.097 1.00 0.00 C ATOM 661 O ASP A 47 -2.418 -5.894 13.336 1.00 0.00 O ATOM 662 CB ASP A 47 0.731 -7.043 13.817 1.00 0.00 C ATOM 663 CG ASP A 47 1.573 -8.228 14.275 1.00 0.00 C ATOM 664 OD1 ASP A 47 1.141 -8.917 15.185 1.00 0.00 O ATOM 665 OD2 ASP A 47 2.636 -8.429 13.711 1.00 0.00 O ATOM 0 H ASP A 47 -0.758 -8.935 13.342 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.604 -7.248 15.493 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.674 -7.026 12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.203 -6.110 14.126 1.00 0.00 H new ATOM 670 N GLU A 48 -1.029 -4.765 14.696 1.00 0.00 N ATOM 671 CA GLU A 48 -1.699 -3.491 14.480 1.00 0.00 C ATOM 672 C GLU A 48 -1.674 -3.116 13.001 1.00 0.00 C ATOM 673 O GLU A 48 -0.656 -3.283 12.329 1.00 0.00 O ATOM 674 CB GLU A 48 -1.001 -2.400 15.287 1.00 0.00 C ATOM 675 CG GLU A 48 0.479 -2.749 15.414 1.00 0.00 C ATOM 676 CD GLU A 48 0.710 -3.600 16.657 1.00 0.00 C ATOM 677 OE1 GLU A 48 -0.221 -4.271 17.074 1.00 0.00 O ATOM 678 OE2 GLU A 48 1.814 -3.570 17.174 1.00 0.00 O ATOM 0 H GLU A 48 -0.231 -4.725 15.330 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.735 -3.586 14.804 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.120 -1.434 14.796 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.454 -2.314 16.275 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.811 -3.289 14.527 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.072 -1.837 15.473 1.00 0.00 H new ATOM 685 N PRO A 49 -2.764 -2.612 12.487 1.00 0.00 N ATOM 686 CA PRO A 49 -2.863 -2.199 11.060 1.00 0.00 C ATOM 687 C PRO A 49 -2.136 -0.884 10.791 1.00 0.00 C ATOM 688 O PRO A 49 -2.013 -0.036 11.675 1.00 0.00 O ATOM 689 CB PRO A 49 -4.367 -2.046 10.834 1.00 0.00 C ATOM 690 CG PRO A 49 -4.928 -1.704 12.174 1.00 0.00 C ATOM 691 CD PRO A 49 -4.026 -2.380 13.209 1.00 0.00 C ATOM 0 HA PRO A 49 -2.397 -2.922 10.390 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.579 -1.263 10.106 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.803 -2.967 10.447 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.947 -0.624 12.322 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.955 -2.056 12.266 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.875 -1.745 14.082 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.459 -3.315 13.566 1.00 0.00 H new ATOM 699 N GLN A 50 -1.667 -0.723 9.562 1.00 0.00 N ATOM 700 CA GLN A 50 -0.963 0.493 9.171 1.00 0.00 C ATOM 701 C GLN A 50 -1.761 1.216 8.093 1.00 0.00 C ATOM 702 O GLN A 50 -2.496 0.584 7.341 1.00 0.00 O ATOM 703 CB GLN A 50 0.429 0.141 8.644 1.00 0.00 C ATOM 704 CG GLN A 50 1.238 -0.516 9.763 1.00 0.00 C ATOM 705 CD GLN A 50 2.176 -1.568 9.181 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.009 -1.259 8.329 1.00 0.00 O ATOM 707 NE2 GLN A 50 2.084 -2.805 9.590 1.00 0.00 N ATOM 0 H GLN A 50 -1.760 -1.416 8.819 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.856 1.145 10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.349 -0.534 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.936 1.039 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.813 0.239 10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.566 -0.977 10.486 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.393 -3.059 10.296 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.703 -3.517 9.203 1.00 0.00 H new ATOM 716 N TYR A 51 -1.638 2.537 8.031 1.00 0.00 N ATOM 717 CA TYR A 51 -2.392 3.297 7.040 1.00 0.00 C ATOM 718 C TYR A 51 -1.486 4.161 6.171 1.00 0.00 C ATOM 719 O TYR A 51 -0.564 4.815 6.660 1.00 0.00 O ATOM 720 CB TYR A 51 -3.406 4.199 7.744 1.00 0.00 C ATOM 721 CG TYR A 51 -4.255 3.377 8.682 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.324 2.623 8.187 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.973 3.374 10.053 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.111 1.865 9.063 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.758 2.617 10.929 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.828 1.863 10.435 1.00 0.00 C ATOM 727 OH TYR A 51 -6.604 1.116 11.298 1.00 0.00 O ATOM 0 H TYR A 51 -1.038 3.094 8.640 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.899 2.578 6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.888 4.981 8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.038 4.696 7.008 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.543 2.625 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.148 3.957 10.435 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.936 1.282 8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.538 2.615 11.986 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.772 0.234 10.906 1.00 0.00 H new ATOM 737 N LEU A 52 -1.788 4.179 4.877 1.00 0.00 N ATOM 738 CA LEU A 52 -1.039 4.990 3.924 1.00 0.00 C ATOM 739 C LEU A 52 -2.013 5.891 3.177 1.00 0.00 C ATOM 740 O LEU A 52 -3.052 5.432 2.704 1.00 0.00 O ATOM 741 CB LEU A 52 -0.289 4.094 2.940 1.00 0.00 C ATOM 742 CG LEU A 52 0.645 3.165 3.716 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.289 2.164 2.754 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.743 3.990 4.392 1.00 0.00 C ATOM 0 H LEU A 52 -2.548 3.640 4.463 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.307 5.599 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.996 3.509 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.283 4.702 2.240 1.00 0.00 H new ATOM 0 HG LEU A 52 0.071 2.629 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.954 1.503 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.512 1.573 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.860 2.702 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.408 3.327 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.314 4.527 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.290 4.705 5.079 1.00 0.00 H new ATOM 756 N ASP A 53 -1.694 7.174 3.094 1.00 0.00 N ATOM 757 CA ASP A 53 -2.583 8.117 2.424 1.00 0.00 C ATOM 758 C ASP A 53 -2.059 8.514 1.048 1.00 0.00 C ATOM 759 O ASP A 53 -0.884 8.846 0.887 1.00 0.00 O ATOM 760 CB ASP A 53 -2.756 9.366 3.283 1.00 0.00 C ATOM 761 CG ASP A 53 -3.244 8.979 4.675 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.885 7.948 4.791 1.00 0.00 O ATOM 763 OD2 ASP A 53 -2.964 9.717 5.606 1.00 0.00 O ATOM 0 H ASP A 53 -0.841 7.583 3.475 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.544 7.622 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.809 9.901 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.469 10.044 2.814 1.00 0.00 H new ATOM 768 N LEU A 54 -2.949 8.480 0.061 1.00 0.00 N ATOM 769 CA LEU A 54 -2.592 8.838 -1.304 1.00 0.00 C ATOM 770 C LEU A 54 -3.606 9.841 -1.854 1.00 0.00 C ATOM 771 O LEU A 54 -4.758 9.866 -1.418 1.00 0.00 O ATOM 772 CB LEU A 54 -2.587 7.585 -2.188 1.00 0.00 C ATOM 773 CG LEU A 54 -2.016 6.393 -1.415 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.456 5.094 -2.088 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.491 6.471 -1.414 1.00 0.00 C ATOM 0 H LEU A 54 -3.924 8.207 0.183 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.598 9.285 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.601 7.361 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.992 7.765 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.383 6.415 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.050 4.244 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.545 5.037 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.088 5.073 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.084 5.623 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.125 6.447 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.174 7.399 -0.937 1.00 0.00 H new ATOM 787 N PRO A 55 -3.208 10.661 -2.792 1.00 0.00 N ATOM 788 CA PRO A 55 -4.112 11.681 -3.396 1.00 0.00 C ATOM 789 C PRO A 55 -5.249 11.054 -4.206 1.00 0.00 C ATOM 790 O PRO A 55 -5.127 9.936 -4.707 1.00 0.00 O ATOM 791 CB PRO A 55 -3.201 12.527 -4.291 1.00 0.00 C ATOM 792 CG PRO A 55 -1.937 11.750 -4.478 1.00 0.00 C ATOM 793 CD PRO A 55 -1.858 10.699 -3.370 1.00 0.00 C ATOM 0 HA PRO A 55 -4.610 12.270 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.678 12.726 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.996 13.494 -3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.925 11.272 -5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.073 12.413 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.570 9.726 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.114 10.969 -2.620 1.00 0.00 H new ATOM 801 N SER A 56 -6.354 11.787 -4.325 1.00 0.00 N ATOM 802 CA SER A 56 -7.513 11.300 -5.072 1.00 0.00 C ATOM 803 C SER A 56 -7.128 10.950 -6.506 1.00 0.00 C ATOM 804 O SER A 56 -7.898 10.320 -7.230 1.00 0.00 O ATOM 805 CB SER A 56 -8.623 12.351 -5.086 1.00 0.00 C ATOM 806 OG SER A 56 -8.092 13.593 -5.528 1.00 0.00 O ATOM 0 H SER A 56 -6.472 12.714 -3.917 1.00 0.00 H new ATOM 0 HA SER A 56 -7.875 10.401 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.431 12.033 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.049 12.459 -4.088 1.00 0.00 H new ATOM 0 HG SER A 56 -8.803 14.267 -5.539 1.00 0.00 H new ATOM 812 N THR A 57 -5.936 11.368 -6.917 1.00 0.00 N ATOM 813 CA THR A 57 -5.476 11.087 -8.270 1.00 0.00 C ATOM 814 C THR A 57 -4.655 9.801 -8.303 1.00 0.00 C ATOM 815 O THR A 57 -4.330 9.290 -9.374 1.00 0.00 O ATOM 816 CB THR A 57 -4.627 12.249 -8.787 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.403 12.298 -8.067 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.389 13.561 -8.594 1.00 0.00 C ATOM 0 H THR A 57 -5.279 11.895 -6.341 1.00 0.00 H new ATOM 0 HA THR A 57 -6.350 10.963 -8.910 1.00 0.00 H new ATOM 0 HB THR A 57 -4.417 12.104 -9.847 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.858 13.041 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.785 14.390 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.327 13.522 -9.148 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.599 13.707 -7.534 1.00 0.00 H new ATOM 826 N ALA A 58 -4.329 9.278 -7.125 1.00 0.00 N ATOM 827 CA ALA A 58 -3.553 8.046 -7.036 1.00 0.00 C ATOM 828 C ALA A 58 -4.460 6.831 -7.192 1.00 0.00 C ATOM 829 O ALA A 58 -5.542 6.778 -6.609 1.00 0.00 O ATOM 830 CB ALA A 58 -2.833 7.976 -5.690 1.00 0.00 C ATOM 0 H ALA A 58 -4.588 9.684 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.818 8.044 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.257 7.053 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.162 8.829 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.566 7.996 -4.884 1.00 0.00 H new ATOM 836 N THR A 59 -4.012 5.859 -7.977 1.00 0.00 N ATOM 837 CA THR A 59 -4.798 4.652 -8.195 1.00 0.00 C ATOM 838 C THR A 59 -3.968 3.402 -7.921 1.00 0.00 C ATOM 839 O THR A 59 -4.394 2.290 -8.231 1.00 0.00 O ATOM 840 CB THR A 59 -5.318 4.618 -9.633 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.229 4.768 -10.533 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.322 5.753 -9.843 1.00 0.00 C ATOM 0 H THR A 59 -3.118 5.882 -8.468 1.00 0.00 H new ATOM 0 HA THR A 59 -5.640 4.667 -7.503 1.00 0.00 H new ATOM 0 HB THR A 59 -5.812 3.664 -9.819 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.561 4.745 -11.455 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.691 5.727 -10.868 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.157 5.632 -9.153 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.834 6.710 -9.657 1.00 0.00 H new ATOM 850 N SER A 60 -2.786 3.581 -7.336 1.00 0.00 N ATOM 851 CA SER A 60 -1.924 2.444 -7.027 1.00 0.00 C ATOM 852 C SER A 60 -0.842 2.848 -6.033 1.00 0.00 C ATOM 853 O SER A 60 -0.422 4.004 -5.997 1.00 0.00 O ATOM 854 CB SER A 60 -1.278 1.912 -8.304 1.00 0.00 C ATOM 855 OG SER A 60 -0.309 2.845 -8.766 1.00 0.00 O ATOM 0 H SER A 60 -2.407 4.490 -7.070 1.00 0.00 H new ATOM 0 HA SER A 60 -2.536 1.660 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.808 0.947 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.037 1.750 -9.069 1.00 0.00 H new ATOM 0 HG SER A 60 0.108 2.505 -9.585 1.00 0.00 H new ATOM 861 N VAL A 61 -0.400 1.891 -5.221 1.00 0.00 N ATOM 862 CA VAL A 61 0.627 2.176 -4.226 1.00 0.00 C ATOM 863 C VAL A 61 1.463 0.940 -3.917 1.00 0.00 C ATOM 864 O VAL A 61 0.996 -0.192 -4.039 1.00 0.00 O ATOM 865 CB VAL A 61 -0.019 2.669 -2.935 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.612 1.480 -2.175 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.039 3.358 -2.068 1.00 0.00 C ATOM 0 H VAL A 61 -0.731 0.926 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 61 1.279 2.946 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.812 3.378 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.074 1.832 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.364 0.991 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.179 0.769 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.579 3.711 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.832 2.649 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.459 4.205 -2.611 1.00 0.00 H new ATOM 877 N ASN A 62 2.699 1.178 -3.497 1.00 0.00 N ATOM 878 CA ASN A 62 3.608 0.095 -3.143 1.00 0.00 C ATOM 879 C ASN A 62 3.708 -0.018 -1.623 1.00 0.00 C ATOM 880 O ASN A 62 3.981 0.971 -0.945 1.00 0.00 O ATOM 881 CB ASN A 62 4.997 0.366 -3.729 1.00 0.00 C ATOM 882 CG ASN A 62 6.025 -0.558 -3.084 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.927 -0.092 -2.386 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.939 -1.847 -3.268 1.00 0.00 N ATOM 0 H ASN A 62 3.095 2.112 -3.393 1.00 0.00 H new ATOM 0 HA ASN A 62 3.223 -0.839 -3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.982 0.210 -4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.275 1.406 -3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.619 -2.471 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.192 -2.231 -3.846 1.00 0.00 H new ATOM 891 N ILE A 63 3.468 -1.217 -1.093 1.00 0.00 N ATOM 892 CA ILE A 63 3.526 -1.434 0.352 1.00 0.00 C ATOM 893 C ILE A 63 4.825 -2.141 0.747 1.00 0.00 C ATOM 894 O ILE A 63 4.949 -3.354 0.581 1.00 0.00 O ATOM 895 CB ILE A 63 2.335 -2.285 0.793 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.060 -1.761 0.125 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.188 -2.208 2.313 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.166 -2.298 0.867 1.00 0.00 C ATOM 0 H ILE A 63 3.233 -2.047 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 63 3.493 -0.462 0.845 1.00 0.00 H new ATOM 0 HB ILE A 63 2.498 -3.322 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.054 -0.671 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.030 -2.072 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.339 -2.815 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.096 -2.582 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.024 -1.172 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.072 -1.924 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.162 -3.388 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.138 -1.965 1.905 1.00 0.00 H new ATOM 910 N PRO A 64 5.786 -1.414 1.264 1.00 0.00 N ATOM 911 CA PRO A 64 7.090 -1.981 1.686 1.00 0.00 C ATOM 912 C PRO A 64 7.110 -2.402 3.153 1.00 0.00 C ATOM 913 O PRO A 64 6.099 -2.336 3.853 1.00 0.00 O ATOM 914 CB PRO A 64 8.040 -0.813 1.453 1.00 0.00 C ATOM 915 CG PRO A 64 7.224 0.406 1.751 1.00 0.00 C ATOM 916 CD PRO A 64 5.753 0.037 1.504 1.00 0.00 C ATOM 0 HA PRO A 64 7.343 -2.890 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.911 -0.875 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.409 -0.801 0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.373 0.726 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.525 1.237 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.129 0.286 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.345 0.574 0.648 1.00 0.00 H new ATOM 924 N ASP A 65 8.285 -2.823 3.601 1.00 0.00 N ATOM 925 CA ASP A 65 8.481 -3.249 4.980 1.00 0.00 C ATOM 926 C ASP A 65 7.553 -4.401 5.343 1.00 0.00 C ATOM 927 O ASP A 65 7.095 -4.505 6.481 1.00 0.00 O ATOM 928 CB ASP A 65 8.229 -2.076 5.928 1.00 0.00 C ATOM 929 CG ASP A 65 9.274 -0.990 5.699 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.217 -1.250 4.970 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.114 0.084 6.253 1.00 0.00 O ATOM 0 H ASP A 65 9.124 -2.879 3.023 1.00 0.00 H new ATOM 0 HA ASP A 65 9.511 -3.593 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.230 -1.672 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.268 -2.418 6.962 1.00 0.00 H new ATOM 936 N LEU A 66 7.295 -5.274 4.380 1.00 0.00 N ATOM 937 CA LEU A 66 6.438 -6.425 4.627 1.00 0.00 C ATOM 938 C LEU A 66 7.275 -7.593 5.141 1.00 0.00 C ATOM 939 O LEU A 66 8.468 -7.675 4.859 1.00 0.00 O ATOM 940 CB LEU A 66 5.700 -6.820 3.349 1.00 0.00 C ATOM 941 CG LEU A 66 4.886 -5.626 2.836 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.921 -6.098 1.746 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.085 -5.011 3.990 1.00 0.00 C ATOM 0 H LEU A 66 7.662 -5.209 3.430 1.00 0.00 H new ATOM 0 HA LEU A 66 5.699 -6.161 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.413 -7.140 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.041 -7.666 3.544 1.00 0.00 H new ATOM 0 HG LEU A 66 5.565 -4.878 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.342 -5.250 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.487 -6.533 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.246 -6.848 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.508 -4.163 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.408 -5.759 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.769 -4.673 4.768 1.00 0.00 H new ATOM 955 N LEU A 67 6.652 -8.482 5.909 1.00 0.00 N ATOM 956 CA LEU A 67 7.360 -9.626 6.471 1.00 0.00 C ATOM 957 C LEU A 67 7.253 -10.848 5.555 1.00 0.00 C ATOM 958 O LEU A 67 6.182 -11.445 5.438 1.00 0.00 O ATOM 959 CB LEU A 67 6.755 -9.981 7.826 1.00 0.00 C ATOM 960 CG LEU A 67 7.223 -8.979 8.881 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.263 -8.999 10.075 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.626 -9.367 9.351 1.00 0.00 C ATOM 0 H LEU A 67 5.663 -8.432 6.155 1.00 0.00 H new ATOM 0 HA LEU A 67 8.410 -9.354 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.667 -9.974 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.051 -10.990 8.113 1.00 0.00 H new ATOM 0 HG LEU A 67 7.240 -7.978 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.600 -8.283 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.261 -8.730 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.244 -9.998 10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.967 -8.657 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.602 -10.368 9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.311 -9.353 8.503 1.00 0.00 H new ATOM 974 N PRO A 68 8.331 -11.245 4.924 1.00 0.00 N ATOM 975 CA PRO A 68 8.335 -12.437 4.030 1.00 0.00 C ATOM 976 C PRO A 68 7.849 -13.688 4.760 1.00 0.00 C ATOM 977 O PRO A 68 8.208 -13.921 5.915 1.00 0.00 O ATOM 978 CB PRO A 68 9.800 -12.597 3.611 1.00 0.00 C ATOM 979 CG PRO A 68 10.453 -11.282 3.880 1.00 0.00 C ATOM 980 CD PRO A 68 9.653 -10.604 4.989 1.00 0.00 C ATOM 0 HA PRO A 68 7.664 -12.307 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.282 -13.395 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.877 -12.862 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.491 -11.422 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.464 -10.666 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.119 -10.751 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.582 -9.528 4.828 1.00 0.00 H new ATOM 988 N GLY A 69 7.036 -14.489 4.083 1.00 0.00 N ATOM 989 CA GLY A 69 6.514 -15.711 4.683 1.00 0.00 C ATOM 990 C GLY A 69 5.309 -15.413 5.567 1.00 0.00 C ATOM 991 O GLY A 69 4.905 -16.242 6.381 1.00 0.00 O ATOM 0 H GLY A 69 6.726 -14.317 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.230 -16.413 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.293 -16.192 5.274 1.00 0.00 H new ATOM 995 N ARG A 70 4.736 -14.228 5.393 1.00 0.00 N ATOM 996 CA ARG A 70 3.569 -13.831 6.173 1.00 0.00 C ATOM 997 C ARG A 70 2.438 -13.400 5.249 1.00 0.00 C ATOM 998 O ARG A 70 2.676 -12.857 4.171 1.00 0.00 O ATOM 999 CB ARG A 70 3.924 -12.675 7.111 1.00 0.00 C ATOM 1000 CG ARG A 70 5.046 -13.092 8.060 1.00 0.00 C ATOM 1001 CD ARG A 70 4.525 -14.126 9.060 1.00 0.00 C ATOM 1002 NE ARG A 70 4.868 -13.725 10.419 1.00 0.00 N ATOM 1003 CZ ARG A 70 6.129 -13.724 10.837 1.00 0.00 C ATOM 1004 NH1 ARG A 70 7.086 -14.089 10.027 1.00 0.00 N ATOM 1005 NH2 ARG A 70 6.413 -13.359 12.056 1.00 0.00 N ATOM 0 H ARG A 70 5.057 -13.529 4.723 1.00 0.00 H new ATOM 0 HA ARG A 70 3.246 -14.688 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.234 -11.807 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.045 -12.378 7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.878 -13.509 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.428 -12.220 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.444 -14.224 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.955 -15.104 8.841 1.00 0.00 H new ATOM 0 HE ARG A 70 4.127 -13.440 11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.865 -14.375 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.054 -14.088 10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.667 -13.074 12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.382 -13.359 12.376 1.00 0.00 H new ATOM 1019 N LYS A 71 1.207 -13.637 5.681 1.00 0.00 N ATOM 1020 CA LYS A 71 0.051 -13.257 4.887 1.00 0.00 C ATOM 1021 C LYS A 71 -0.494 -11.919 5.370 1.00 0.00 C ATOM 1022 O LYS A 71 -0.654 -11.696 6.571 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.032 -14.333 4.990 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.148 -14.034 3.986 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.273 -15.058 4.151 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.252 -14.937 2.982 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.532 -15.613 3.335 1.00 0.00 N ATOM 0 H LYS A 71 0.986 -14.087 6.569 1.00 0.00 H new ATOM 0 HA LYS A 71 0.353 -13.160 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.603 -15.315 4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.437 -14.361 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.533 -13.027 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.756 -14.070 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.859 -16.066 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.794 -14.892 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.434 -13.887 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.824 -15.389 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.198 -15.531 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.351 -16.618 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.942 -15.162 4.178 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.772 -11.033 4.426 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.294 -9.712 4.760 1.00 0.00 C ATOM 1043 C TYR A 72 -2.674 -9.483 4.151 1.00 0.00 C ATOM 1044 O TYR A 72 -2.989 -9.996 3.078 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.376 -8.618 4.214 1.00 0.00 C ATOM 1046 CG TYR A 72 0.912 -8.531 4.998 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.943 -9.447 4.765 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.082 -7.510 5.943 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.143 -9.345 5.479 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.283 -7.404 6.653 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.313 -8.322 6.421 1.00 0.00 C ATOM 1052 OH TYR A 72 4.498 -8.218 7.120 1.00 0.00 O ATOM 0 H TYR A 72 -0.647 -11.201 3.428 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.353 -9.668 5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.152 -8.819 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.891 -7.658 4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.814 -10.232 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.285 -6.804 6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.938 -10.055 5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.415 -6.615 7.379 1.00 0.00 H new ATOM 0 HH TYR A 72 4.451 -7.454 7.732 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.461 -8.652 4.821 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.777 -8.283 4.326 1.00 0.00 C ATOM 1064 C ILE A 73 -4.707 -6.838 3.878 1.00 0.00 C ATOM 1065 O ILE A 73 -4.292 -5.971 4.639 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.836 -8.434 5.417 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.853 -9.880 5.899 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.208 -8.066 4.854 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.854 -10.026 7.047 1.00 0.00 C ATOM 0 H ILE A 73 -3.209 -8.221 5.710 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.058 -8.937 3.501 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.601 -7.772 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.125 -10.544 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.858 -10.175 6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.962 -8.174 5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.193 -7.034 4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.449 -8.727 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.865 -11.060 7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.562 -9.373 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.849 -9.748 6.700 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.087 -6.586 2.643 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.030 -5.237 2.109 1.00 0.00 C ATOM 1083 C VAL A 74 -6.426 -4.704 1.831 1.00 0.00 C ATOM 1084 O VAL A 74 -7.249 -5.374 1.208 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.211 -5.233 0.819 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.953 -3.789 0.385 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.873 -5.945 1.059 1.00 0.00 C ATOM 0 H VAL A 74 -5.436 -7.290 1.993 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.557 -4.591 2.849 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.762 -5.754 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.369 -3.785 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.904 -3.285 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.402 -3.267 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.289 -5.942 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.320 -5.426 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.059 -6.974 1.368 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.682 -3.491 2.295 1.00 0.00 N ATOM 1098 CA ASN A 75 -7.979 -2.865 2.093 1.00 0.00 C ATOM 1099 C ASN A 75 -7.796 -1.423 1.652 1.00 0.00 C ATOM 1100 O ASN A 75 -7.094 -0.648 2.305 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.778 -2.907 3.395 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.867 -4.340 3.900 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.734 -5.100 3.470 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.010 -4.758 4.789 1.00 0.00 N ATOM 0 H ASN A 75 -6.012 -2.922 2.812 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.520 -3.408 1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.301 -2.276 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.779 -2.507 3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.057 -5.718 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.293 -4.125 5.143 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.426 -1.059 0.543 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.312 0.304 0.043 1.00 0.00 C ATOM 1113 C VAL A 76 -9.590 1.082 0.310 1.00 0.00 C ATOM 1114 O VAL A 76 -10.686 0.638 -0.035 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.028 0.295 -1.459 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.751 1.723 -1.936 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.807 -0.581 -1.744 1.00 0.00 C ATOM 0 H VAL A 76 -9.012 -1.677 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.486 0.788 0.565 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.894 -0.104 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.549 1.716 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.621 2.349 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.886 2.122 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.605 -0.587 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.942 -0.183 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.003 -1.599 -1.406 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.442 2.255 0.915 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.587 3.101 1.210 1.00 0.00 C ATOM 1129 C TYR A 77 -10.431 4.438 0.505 1.00 0.00 C ATOM 1130 O TYR A 77 -9.349 5.024 0.500 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.698 3.350 2.718 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.790 2.035 3.451 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.038 1.447 3.683 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.624 1.409 3.907 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.120 0.229 4.371 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.706 0.192 4.593 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.954 -0.397 4.826 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.035 -1.596 5.502 1.00 0.00 O ATOM 0 H TYR A 77 -8.544 2.639 1.209 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.487 2.594 0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.831 3.911 3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.578 3.957 2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.937 1.931 3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.661 1.865 3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.083 -0.226 4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.806 -0.293 4.943 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.134 -1.895 5.747 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.513 4.930 -0.072 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.463 6.214 -0.749 1.00 0.00 C ATOM 1150 C GLN A 78 -12.081 7.263 0.163 1.00 0.00 C ATOM 1151 O GLN A 78 -13.120 7.022 0.779 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.227 6.149 -2.074 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.709 6.436 -1.833 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.534 5.960 -3.025 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.927 5.531 -4.099 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.764 5.981 -2.977 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.423 4.469 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.428 6.475 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.817 6.874 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.107 5.164 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.042 5.933 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.861 7.504 -1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.236 6.316 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.311 5.663 -3.777 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.433 8.412 0.269 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.931 9.463 1.138 1.00 0.00 C ATOM 1167 C ILE A 79 -12.697 10.500 0.337 1.00 0.00 C ATOM 1168 O ILE A 79 -12.169 11.101 -0.597 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.762 10.130 1.856 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.941 9.053 2.563 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.293 11.126 2.889 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.697 9.681 3.187 1.00 0.00 C ATOM 0 H ILE A 79 -10.572 8.638 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.606 9.020 1.870 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.140 10.661 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.542 8.571 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.652 8.278 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.456 11.601 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.891 11.887 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.912 10.601 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.114 8.910 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.092 10.142 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.996 10.440 3.910 1.00 0.00 H new ATOM 1184 N SER A 80 -13.951 10.697 0.714 1.00 0.00 N ATOM 1185 CA SER A 80 -14.800 11.654 0.037 1.00 0.00 C ATOM 1186 C SER A 80 -14.553 13.055 0.583 1.00 0.00 C ATOM 1187 O SER A 80 -13.859 13.231 1.584 1.00 0.00 O ATOM 1188 CB SER A 80 -16.263 11.269 0.232 1.00 0.00 C ATOM 1189 OG SER A 80 -16.660 11.592 1.555 1.00 0.00 O ATOM 0 H SER A 80 -14.400 10.204 1.486 1.00 0.00 H new ATOM 0 HA SER A 80 -14.565 11.647 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.889 11.797 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.398 10.203 0.049 1.00 0.00 H new ATOM 0 HG SER A 80 -17.600 11.347 1.683 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.119 14.045 -0.089 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.953 15.432 0.319 1.00 0.00 C ATOM 1197 C GLU A 81 -15.476 15.662 1.736 1.00 0.00 C ATOM 1198 O GLU A 81 -15.118 16.650 2.379 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.692 16.348 -0.656 1.00 0.00 C ATOM 1200 CG GLU A 81 -15.084 16.211 -2.054 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.820 15.128 -2.837 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.725 14.531 -2.278 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -15.468 14.913 -3.985 1.00 0.00 O ATOM 0 H GLU A 81 -15.697 13.915 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.888 15.662 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.750 16.089 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.625 17.383 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.149 17.162 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.026 15.961 -1.977 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.329 14.762 2.218 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.891 14.908 3.560 1.00 0.00 C ATOM 1212 C ASP A 82 -16.041 14.177 4.600 1.00 0.00 C ATOM 1213 O ASP A 82 -16.353 14.198 5.791 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.314 14.352 3.591 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.281 12.841 3.401 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.213 12.272 3.555 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.321 12.277 3.107 1.00 0.00 O ATOM 0 H ASP A 82 -16.643 13.936 1.710 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.901 15.970 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.790 14.598 4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.912 14.814 2.805 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.970 13.534 4.148 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.089 12.809 5.059 1.00 0.00 C ATOM 1224 C GLY A 83 -14.588 11.388 5.305 1.00 0.00 C ATOM 1225 O GLY A 83 -14.081 10.687 6.181 1.00 0.00 O ATOM 0 H GLY A 83 -14.692 13.499 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.082 12.775 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.025 13.343 6.007 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.574 10.963 4.522 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.120 9.616 4.662 1.00 0.00 C ATOM 1231 C GLU A 84 -15.285 8.616 3.867 1.00 0.00 C ATOM 1232 O GLU A 84 -14.810 8.922 2.774 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.573 9.583 4.178 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.461 10.325 5.181 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.449 9.603 6.522 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.066 8.443 6.547 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.822 10.218 7.506 1.00 0.00 O ATOM 0 H GLU A 84 -16.009 11.525 3.790 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.089 9.338 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.651 10.046 3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.909 8.552 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.106 11.348 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.481 10.386 4.801 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.112 7.419 4.419 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.335 6.383 3.747 1.00 0.00 C ATOM 1246 C GLN A 85 -15.240 5.287 3.200 1.00 0.00 C ATOM 1247 O GLN A 85 -16.264 4.953 3.796 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.325 5.762 4.715 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.105 6.673 4.844 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.098 6.058 5.804 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.163 5.276 5.340 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.165 6.292 7.011 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.496 7.144 5.323 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.807 6.853 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.786 5.616 5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.020 4.779 4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.645 6.820 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.410 7.655 5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.897 6.904 7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.489 5.874 7.650 1.00 0.00 H new ATOM 1261 N SER A 86 -14.845 4.727 2.064 1.00 0.00 N ATOM 1262 CA SER A 86 -15.612 3.659 1.440 1.00 0.00 C ATOM 1263 C SER A 86 -14.678 2.573 0.923 1.00 0.00 C ATOM 1264 O SER A 86 -13.704 2.862 0.230 1.00 0.00 O ATOM 1265 CB SER A 86 -16.435 4.218 0.280 1.00 0.00 C ATOM 1266 OG SER A 86 -17.325 3.215 -0.194 1.00 0.00 O ATOM 0 H SER A 86 -14.001 4.994 1.558 1.00 0.00 H new ATOM 0 HA SER A 86 -16.281 3.229 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.997 5.093 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.776 4.544 -0.524 1.00 0.00 H new ATOM 0 HG SER A 86 -17.855 3.572 -0.937 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.979 1.324 1.256 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.150 0.219 0.803 1.00 0.00 C ATOM 1274 C LEU A 87 -14.367 -0.027 -0.684 1.00 0.00 C ATOM 1275 O LEU A 87 -15.473 -0.348 -1.113 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.489 -1.049 1.586 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.581 -2.192 1.125 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.160 -1.965 1.645 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.116 -3.517 1.672 1.00 0.00 C ATOM 0 H LEU A 87 -15.779 1.055 1.829 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.105 0.477 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.359 -0.875 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.534 -1.316 1.432 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.566 -2.224 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.517 -2.781 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.777 -1.021 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.172 -1.931 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.471 -4.333 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.132 -3.481 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.127 -3.683 1.300 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.307 0.134 -1.464 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.399 -0.066 -2.902 1.00 0.00 C ATOM 1293 C ILE A 88 -12.699 -1.354 -3.314 1.00 0.00 C ATOM 1294 O ILE A 88 -12.983 -1.912 -4.374 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.770 1.123 -3.632 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.292 1.230 -3.250 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.495 2.411 -3.233 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.610 2.271 -4.135 1.00 0.00 C ATOM 0 H ILE A 88 -12.381 0.400 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.452 -0.143 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.859 0.977 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.196 1.510 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.804 0.262 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.046 3.257 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.548 2.335 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.408 2.559 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.557 2.347 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.694 1.971 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.092 3.239 -3.995 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.784 -1.827 -2.475 1.00 0.00 N ATOM 1311 CA LEU A 89 -11.061 -3.055 -2.784 1.00 0.00 C ATOM 1312 C LEU A 89 -10.522 -3.720 -1.523 1.00 0.00 C ATOM 1313 O LEU A 89 -9.788 -3.106 -0.749 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.896 -2.759 -3.730 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.262 -4.080 -4.172 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -10.183 -4.781 -5.175 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.905 -3.809 -4.826 1.00 0.00 C ATOM 0 H LEU A 89 -11.528 -1.388 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.765 -3.736 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.249 -2.202 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.155 -2.135 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.120 -4.720 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.730 -5.722 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.147 -4.981 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.329 -4.140 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.457 -4.752 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.042 -3.166 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.248 -3.316 -4.110 1.00 0.00 H new ATOM 1329 N SER A 90 -10.869 -4.989 -1.340 1.00 0.00 N ATOM 1330 CA SER A 90 -10.394 -5.750 -0.191 1.00 0.00 C ATOM 1331 C SER A 90 -9.835 -7.090 -0.665 1.00 0.00 C ATOM 1332 O SER A 90 -10.554 -7.894 -1.258 1.00 0.00 O ATOM 1333 CB SER A 90 -11.541 -5.989 0.793 1.00 0.00 C ATOM 1334 OG SER A 90 -11.030 -6.604 1.968 1.00 0.00 O ATOM 0 H SER A 90 -11.476 -5.511 -1.971 1.00 0.00 H new ATOM 0 HA SER A 90 -9.610 -5.185 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.024 -5.044 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.301 -6.624 0.337 1.00 0.00 H new ATOM 0 HG SER A 90 -10.838 -5.917 2.640 1.00 0.00 H new ATOM 1340 N THR A 91 -8.548 -7.321 -0.420 1.00 0.00 N ATOM 1341 CA THR A 91 -7.917 -8.566 -0.850 1.00 0.00 C ATOM 1342 C THR A 91 -6.743 -8.914 0.053 1.00 0.00 C ATOM 1343 O THR A 91 -6.289 -8.086 0.831 1.00 0.00 O ATOM 1344 CB THR A 91 -7.421 -8.421 -2.291 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.157 -9.707 -2.832 1.00 0.00 O ATOM 1346 CG2 THR A 91 -6.141 -7.585 -2.309 1.00 0.00 C ATOM 0 H THR A 91 -7.929 -6.673 0.067 1.00 0.00 H new ATOM 0 HA THR A 91 -8.655 -9.366 -0.791 1.00 0.00 H new ATOM 0 HB THR A 91 -8.185 -7.925 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.841 -9.615 -3.755 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.788 -7.482 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.345 -6.598 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.376 -8.078 -1.710 1.00 0.00 H new ATOM 1354 N SER A 92 -6.249 -10.142 -0.062 1.00 0.00 N ATOM 1355 CA SER A 92 -5.115 -10.572 0.752 1.00 0.00 C ATOM 1356 C SER A 92 -4.025 -11.182 -0.127 1.00 0.00 C ATOM 1357 O SER A 92 -4.292 -11.641 -1.238 1.00 0.00 O ATOM 1358 CB SER A 92 -5.566 -11.595 1.794 1.00 0.00 C ATOM 1359 OG SER A 92 -5.891 -12.818 1.146 1.00 0.00 O ATOM 0 H SER A 92 -6.609 -10.850 -0.702 1.00 0.00 H new ATOM 0 HA SER A 92 -4.711 -9.697 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.775 -11.758 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.432 -11.218 2.339 1.00 0.00 H new ATOM 0 HG SER A 92 -6.327 -13.420 1.784 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.798 -11.191 0.384 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.675 -11.757 -0.356 1.00 0.00 C ATOM 1367 C GLN A 93 -0.719 -12.482 0.575 1.00 0.00 C ATOM 1368 O GLN A 93 -0.711 -12.257 1.784 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.897 -10.667 -1.093 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.713 -10.136 -2.272 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.826 -9.264 -3.157 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.422 -9.064 -2.815 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.275 -8.755 -4.183 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.557 -10.816 1.301 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.091 -12.461 -1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.663 -9.852 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.052 -11.067 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.117 -10.966 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.562 -9.557 -1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.248 -8.913 -4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.675 -8.176 -4.770 1.00 0.00 H new ATOM 1382 N THR A 94 0.099 -13.343 -0.014 1.00 0.00 N ATOM 1383 CA THR A 94 1.082 -14.095 0.744 1.00 0.00 C ATOM 1384 C THR A 94 2.476 -13.816 0.190 1.00 0.00 C ATOM 1385 O THR A 94 2.777 -14.150 -0.956 1.00 0.00 O ATOM 1386 CB THR A 94 0.770 -15.588 0.644 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.596 -15.759 0.298 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.045 -16.261 1.989 1.00 0.00 C ATOM 0 H THR A 94 0.099 -13.536 -1.016 1.00 0.00 H new ATOM 0 HA THR A 94 1.047 -13.792 1.790 1.00 0.00 H new ATOM 0 HB THR A 94 1.401 -16.042 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.799 -16.715 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.822 -17.325 1.916 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.094 -16.128 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.416 -15.811 2.757 1.00 0.00 H new ATOM 1396 N THR A 95 3.320 -13.194 1.005 1.00 0.00 N ATOM 1397 CA THR A 95 4.674 -12.864 0.579 1.00 0.00 C ATOM 1398 C THR A 95 5.499 -14.132 0.382 1.00 0.00 C ATOM 1399 O THR A 95 4.911 -15.200 0.342 1.00 0.00 O ATOM 1400 CB THR A 95 5.347 -11.974 1.624 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.531 -12.716 2.823 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.464 -10.756 1.903 1.00 0.00 C ATOM 1403 OXT THR A 95 6.709 -14.017 0.271 1.00 0.00 O ATOM 0 H THR A 95 3.093 -12.910 1.958 1.00 0.00 H new ATOM 0 HA THR A 95 4.616 -12.331 -0.370 1.00 0.00 H new ATOM 0 HB THR A 95 6.315 -11.638 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.674 -12.099 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.944 -10.122 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.322 -10.191 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.496 -11.087 2.278 1.00 0.00 H new TER 1411 THR A 95