USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 701 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 8 GLN : amide:sc= -0.0516 X(o=0.074,f=0.04) USER MOD Set 1.2: A 89 THR OG1 : rot 70:sc= 0.125 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -70:sc= 1.25 USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.000748 USER MOD Single : A 13 SER OG : rot 21:sc= 0.707 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0813 K(o=-0.081,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -39:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0892 USER MOD Single : A 37 TYR OH : rot 63:sc= 0.0122 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= -0.221 USER MOD Single : A 62 TYR OH : rot 25:sc= 1.2 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 38:sc= 0.478 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 79 THR OG1 : rot 130:sc= -0.528 USER MOD Single : A 82 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.069) USER MOD Single : A 86 SER OG : rot 69:sc= 0.328 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 126:sc= 1.25 USER MOD Single : A 93 GLN : amide:sc= 1.07 K(o=1.1,f=-0.019) USER MOD Single : A 94 GLN : amide:sc= 1.21 K(o=1.2,f=-0.017) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.516 11.314 -7.021 1.00 0.00 N ATOM 2 CA MET A 1 -23.915 10.960 -6.723 1.00 0.00 C ATOM 3 C MET A 1 -24.011 10.509 -5.269 1.00 0.00 C ATOM 4 O MET A 1 -24.038 11.374 -4.400 1.00 0.00 O ATOM 5 CB MET A 1 -24.480 9.939 -7.720 1.00 0.00 C ATOM 6 CG MET A 1 -24.954 10.612 -9.001 1.00 0.00 C ATOM 7 SD MET A 1 -25.292 9.473 -10.359 1.00 0.00 S ATOM 8 CE MET A 1 -25.824 10.685 -11.592 1.00 0.00 C ATOM 0 H1 MET A 1 -22.439 11.623 -8.011 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.212 12.085 -6.393 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.908 10.484 -6.870 1.00 0.00 H new ATOM 0 HA MET A 1 -24.547 11.839 -6.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.715 9.200 -7.958 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.310 9.402 -7.261 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.859 11.180 -8.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.197 11.328 -9.323 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.081 10.172 -12.519 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.696 11.223 -11.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.015 11.391 -11.780 1.00 0.00 H new ATOM 20 N ARG A 2 -24.037 9.205 -4.968 1.00 0.00 N ATOM 21 CA ARG A 2 -24.048 8.651 -3.611 1.00 0.00 C ATOM 22 C ARG A 2 -23.023 7.524 -3.538 1.00 0.00 C ATOM 23 O ARG A 2 -22.450 7.163 -4.567 1.00 0.00 O ATOM 24 CB ARG A 2 -25.469 8.195 -3.215 1.00 0.00 C ATOM 25 CG ARG A 2 -26.068 7.180 -4.202 1.00 0.00 C ATOM 26 CD ARG A 2 -27.462 6.711 -3.787 1.00 0.00 C ATOM 27 NE ARG A 2 -28.183 6.187 -4.959 1.00 0.00 N ATOM 28 CZ ARG A 2 -29.491 6.313 -5.187 1.00 0.00 C ATOM 29 NH1 ARG A 2 -30.309 6.630 -4.191 1.00 0.00 N ATOM 30 NH2 ARG A 2 -29.974 6.130 -6.410 1.00 0.00 N ATOM 0 H ARG A 2 -24.051 8.483 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 2 -23.767 9.416 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -25.439 7.752 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -26.122 9.066 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -26.120 7.630 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -25.406 6.318 -4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -27.383 5.938 -3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -28.018 7.539 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 2 -27.635 5.684 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -29.937 6.777 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -31.310 6.727 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -29.345 5.893 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -30.975 6.227 -6.583 1.00 0.00 H new ATOM 44 N GLY A 3 -22.799 6.952 -2.361 1.00 0.00 N ATOM 45 CA GLY A 3 -21.788 5.930 -2.127 1.00 0.00 C ATOM 46 C GLY A 3 -20.376 6.517 -2.189 1.00 0.00 C ATOM 47 O GLY A 3 -20.132 7.477 -2.926 1.00 0.00 O ATOM 0 H GLY A 3 -23.329 7.192 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -21.951 5.472 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.888 5.140 -2.871 1.00 0.00 H new ATOM 51 N SER A 4 -19.454 5.888 -1.458 1.00 0.00 N ATOM 52 CA SER A 4 -18.080 6.236 -1.078 1.00 0.00 C ATOM 53 C SER A 4 -18.101 6.881 0.308 1.00 0.00 C ATOM 54 O SER A 4 -19.083 7.531 0.689 1.00 0.00 O ATOM 55 CB SER A 4 -17.296 7.079 -2.107 1.00 0.00 C ATOM 56 OG SER A 4 -17.810 8.382 -2.271 1.00 0.00 O ATOM 0 H SER A 4 -19.692 4.981 -1.057 1.00 0.00 H new ATOM 0 HA SER A 4 -17.516 5.304 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.254 7.144 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.308 6.568 -3.070 1.00 0.00 H new ATOM 0 HG SER A 4 -18.672 8.338 -2.735 1.00 0.00 H new ATOM 62 N GLU A 5 -17.034 6.672 1.079 1.00 0.00 N ATOM 63 CA GLU A 5 -16.957 7.045 2.480 1.00 0.00 C ATOM 64 C GLU A 5 -15.675 7.817 2.748 1.00 0.00 C ATOM 65 O GLU A 5 -15.723 9.005 3.062 1.00 0.00 O ATOM 66 CB GLU A 5 -17.079 5.764 3.311 1.00 0.00 C ATOM 67 CG GLU A 5 -17.441 6.089 4.766 1.00 0.00 C ATOM 68 CD GLU A 5 -17.840 4.873 5.607 1.00 0.00 C ATOM 69 OE1 GLU A 5 -18.046 3.774 5.040 1.00 0.00 O ATOM 70 OE2 GLU A 5 -18.010 5.033 6.838 1.00 0.00 O ATOM 0 H GLU A 5 -16.183 6.228 0.733 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.770 7.715 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.841 5.116 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.138 5.214 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.589 6.578 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.263 6.805 4.772 1.00 0.00 H new ATOM 77 N VAL A 6 -14.532 7.164 2.565 1.00 0.00 N ATOM 78 CA VAL A 6 -13.212 7.758 2.709 1.00 0.00 C ATOM 79 C VAL A 6 -12.471 7.455 1.398 1.00 0.00 C ATOM 80 O VAL A 6 -12.547 6.307 0.937 1.00 0.00 O ATOM 81 CB VAL A 6 -12.524 7.161 3.956 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.155 7.794 4.192 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.355 7.345 5.238 1.00 0.00 C ATOM 0 H VAL A 6 -14.500 6.178 2.305 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.234 8.836 2.867 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.421 6.096 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.697 7.352 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.517 7.615 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.271 8.867 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.823 6.907 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.512 8.408 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.319 6.851 5.121 1.00 0.00 H new ATOM 93 N PRO A 7 -11.782 8.433 0.783 1.00 0.00 N ATOM 94 CA PRO A 7 -11.156 8.254 -0.519 1.00 0.00 C ATOM 95 C PRO A 7 -9.910 7.390 -0.373 1.00 0.00 C ATOM 96 O PRO A 7 -8.986 7.745 0.357 1.00 0.00 O ATOM 97 CB PRO A 7 -10.828 9.656 -1.017 1.00 0.00 C ATOM 98 CG PRO A 7 -10.622 10.449 0.271 1.00 0.00 C ATOM 99 CD PRO A 7 -11.601 9.802 1.245 1.00 0.00 C ATOM 0 HA PRO A 7 -11.804 7.743 -1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.934 9.662 -1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.638 10.069 -1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.594 10.377 0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.837 11.508 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.210 9.822 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.550 10.338 1.258 1.00 0.00 H new ATOM 107 N GLN A 8 -9.901 6.251 -1.060 1.00 0.00 N ATOM 108 CA GLN A 8 -8.765 5.353 -1.073 1.00 0.00 C ATOM 109 C GLN A 8 -7.766 5.858 -2.117 1.00 0.00 C ATOM 110 O GLN A 8 -8.020 6.819 -2.852 1.00 0.00 O ATOM 111 CB GLN A 8 -9.275 3.917 -1.321 1.00 0.00 C ATOM 112 CG GLN A 8 -9.581 3.621 -2.802 1.00 0.00 C ATOM 113 CD GLN A 8 -10.476 2.404 -2.992 1.00 0.00 C ATOM 114 OE1 GLN A 8 -11.537 2.522 -3.595 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.091 1.234 -2.508 1.00 0.00 N ATOM 0 H GLN A 8 -10.688 5.929 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.237 5.330 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.528 3.208 -0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.177 3.754 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.061 4.492 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.644 3.463 -3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.205 1.155 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.680 0.411 -2.634 1.00 0.00 H new ATOM 124 N LEU A 9 -6.642 5.167 -2.243 1.00 0.00 N ATOM 125 CA LEU A 9 -5.791 5.272 -3.412 1.00 0.00 C ATOM 126 C LEU A 9 -6.449 4.451 -4.509 1.00 0.00 C ATOM 127 O LEU A 9 -6.292 3.234 -4.578 1.00 0.00 O ATOM 128 CB LEU A 9 -4.369 4.822 -3.070 1.00 0.00 C ATOM 129 CG LEU A 9 -3.696 5.826 -2.118 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.387 5.223 -1.612 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.570 7.234 -2.712 1.00 0.00 C ATOM 0 H LEU A 9 -6.297 4.518 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.688 6.299 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.396 3.836 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.782 4.729 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.339 5.991 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.900 5.926 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.596 4.294 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.730 5.018 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.087 7.892 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.971 7.193 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.562 7.620 -2.948 1.00 0.00 H new ATOM 143 N THR A 10 -7.282 5.108 -5.302 1.00 0.00 N ATOM 144 CA THR A 10 -8.011 4.525 -6.419 1.00 0.00 C ATOM 145 C THR A 10 -6.997 3.987 -7.442 1.00 0.00 C ATOM 146 O THR A 10 -6.943 2.792 -7.734 1.00 0.00 O ATOM 147 CB THR A 10 -8.940 5.627 -6.976 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.164 6.763 -7.314 1.00 0.00 O ATOM 149 CG2 THR A 10 -9.985 6.070 -5.941 1.00 0.00 C ATOM 0 H THR A 10 -7.477 6.102 -5.180 1.00 0.00 H new ATOM 0 HA THR A 10 -8.632 3.677 -6.132 1.00 0.00 H new ATOM 0 HB THR A 10 -9.452 5.215 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.749 7.465 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.618 6.846 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.600 5.216 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.480 6.463 -5.059 1.00 0.00 H new ATOM 157 N ASP A 11 -6.123 4.871 -7.925 1.00 0.00 N ATOM 158 CA ASP A 11 -5.094 4.658 -8.946 1.00 0.00 C ATOM 159 C ASP A 11 -3.904 3.825 -8.438 1.00 0.00 C ATOM 160 O ASP A 11 -2.808 3.883 -8.992 1.00 0.00 O ATOM 161 CB ASP A 11 -4.637 6.039 -9.438 1.00 0.00 C ATOM 162 CG ASP A 11 -3.983 6.040 -10.826 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.859 4.985 -11.483 1.00 0.00 O ATOM 164 OD2 ASP A 11 -3.650 7.138 -11.333 1.00 0.00 O ATOM 0 H ASP A 11 -6.115 5.833 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.520 4.076 -9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.498 6.707 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.930 6.451 -8.718 1.00 0.00 H new ATOM 169 N LEU A 12 -4.089 3.088 -7.338 1.00 0.00 N ATOM 170 CA LEU A 12 -3.106 2.167 -6.780 1.00 0.00 C ATOM 171 C LEU A 12 -2.681 1.179 -7.862 1.00 0.00 C ATOM 172 O LEU A 12 -3.525 0.502 -8.456 1.00 0.00 O ATOM 173 CB LEU A 12 -3.711 1.473 -5.545 1.00 0.00 C ATOM 174 CG LEU A 12 -2.773 0.664 -4.631 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.318 -0.686 -5.201 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.581 1.516 -4.188 1.00 0.00 C ATOM 0 H LEU A 12 -4.954 3.120 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.212 2.696 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.191 2.238 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.497 0.802 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.374 0.403 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.661 -1.180 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.189 -1.314 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.780 -0.524 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.931 0.925 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.022 1.843 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.940 2.387 -3.641 1.00 0.00 H new ATOM 188 N SER A 13 -1.387 1.143 -8.164 1.00 0.00 N ATOM 189 CA SER A 13 -0.751 0.224 -9.091 1.00 0.00 C ATOM 190 C SER A 13 0.715 0.054 -8.719 1.00 0.00 C ATOM 191 O SER A 13 1.253 0.847 -7.952 1.00 0.00 O ATOM 192 CB SER A 13 -0.911 0.775 -10.511 1.00 0.00 C ATOM 193 OG SER A 13 -2.221 0.523 -10.980 1.00 0.00 O ATOM 0 H SER A 13 -0.721 1.791 -7.744 1.00 0.00 H new ATOM 0 HA SER A 13 -1.220 -0.759 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.712 1.847 -10.519 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.182 0.311 -11.175 1.00 0.00 H new ATOM 0 HG SER A 13 -2.817 0.367 -10.218 1.00 0.00 H new ATOM 199 N PHE A 14 1.374 -0.970 -9.256 1.00 0.00 N ATOM 200 CA PHE A 14 2.778 -1.252 -9.014 1.00 0.00 C ATOM 201 C PHE A 14 3.497 -1.277 -10.356 1.00 0.00 C ATOM 202 O PHE A 14 2.893 -1.603 -11.384 1.00 0.00 O ATOM 203 CB PHE A 14 2.925 -2.605 -8.313 1.00 0.00 C ATOM 204 CG PHE A 14 2.300 -2.718 -6.939 1.00 0.00 C ATOM 205 CD1 PHE A 14 0.906 -2.839 -6.784 1.00 0.00 C ATOM 206 CD2 PHE A 14 3.127 -2.756 -5.805 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.353 -2.995 -5.502 1.00 0.00 C ATOM 208 CE2 PHE A 14 2.575 -2.964 -4.532 1.00 0.00 C ATOM 209 CZ PHE A 14 1.185 -3.095 -4.376 1.00 0.00 C ATOM 0 H PHE A 14 0.932 -1.640 -9.886 1.00 0.00 H new ATOM 0 HA PHE A 14 3.211 -0.485 -8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.487 -3.371 -8.953 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.988 -2.832 -8.226 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.262 -2.812 -7.650 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.193 -2.624 -5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.719 -3.038 -5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.221 -3.024 -3.669 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.760 -3.271 -3.399 1.00 0.00 H new ATOM 219 N VAL A 15 4.783 -0.954 -10.345 1.00 0.00 N ATOM 220 CA VAL A 15 5.687 -1.024 -11.480 1.00 0.00 C ATOM 221 C VAL A 15 7.076 -1.414 -10.971 1.00 0.00 C ATOM 222 O VAL A 15 7.332 -1.340 -9.772 1.00 0.00 O ATOM 223 CB VAL A 15 5.727 0.328 -12.219 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.594 0.462 -13.236 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.684 1.551 -11.290 1.00 0.00 C ATOM 0 H VAL A 15 5.245 -0.619 -9.500 1.00 0.00 H new ATOM 0 HA VAL A 15 5.338 -1.774 -12.190 1.00 0.00 H new ATOM 0 HB VAL A 15 6.691 0.320 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.663 1.430 -13.732 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.675 -0.332 -13.978 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.635 0.384 -12.724 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.716 2.463 -11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.764 1.532 -10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.542 1.527 -10.618 1.00 0.00 H new ATOM 235 N ASP A 16 7.988 -1.751 -11.883 1.00 0.00 N ATOM 236 CA ASP A 16 9.358 -2.194 -11.633 1.00 0.00 C ATOM 237 C ASP A 16 9.358 -3.252 -10.539 1.00 0.00 C ATOM 238 O ASP A 16 9.894 -3.072 -9.444 1.00 0.00 O ATOM 239 CB ASP A 16 10.311 -1.021 -11.354 1.00 0.00 C ATOM 240 CG ASP A 16 10.468 -0.068 -12.537 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.285 -0.488 -13.701 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.753 1.134 -12.306 1.00 0.00 O ATOM 0 H ASP A 16 7.775 -1.719 -12.880 1.00 0.00 H new ATOM 0 HA ASP A 16 9.752 -2.655 -12.539 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.944 -0.462 -10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.290 -1.416 -11.083 1.00 0.00 H new ATOM 247 N ILE A 17 8.707 -4.368 -10.853 1.00 0.00 N ATOM 248 CA ILE A 17 8.628 -5.558 -10.033 1.00 0.00 C ATOM 249 C ILE A 17 9.936 -6.332 -10.263 1.00 0.00 C ATOM 250 O ILE A 17 9.961 -7.390 -10.885 1.00 0.00 O ATOM 251 CB ILE A 17 7.334 -6.323 -10.399 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.070 -5.420 -10.344 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.119 -7.509 -9.453 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.440 -5.243 -11.727 1.00 0.00 C ATOM 0 H ILE A 17 8.197 -4.465 -11.731 1.00 0.00 H new ATOM 0 HA ILE A 17 8.550 -5.361 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 17 7.469 -6.670 -11.423 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.339 -5.858 -9.665 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.337 -4.444 -9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.204 -8.033 -9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.965 -8.192 -9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.035 -7.147 -8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.559 -4.606 -11.647 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.163 -4.781 -12.399 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.149 -6.216 -12.121 1.00 0.00 H new ATOM 266 N THR A 18 11.043 -5.726 -9.839 1.00 0.00 N ATOM 267 CA THR A 18 12.378 -6.300 -9.892 1.00 0.00 C ATOM 268 C THR A 18 12.583 -7.253 -8.699 1.00 0.00 C ATOM 269 O THR A 18 11.774 -7.320 -7.768 1.00 0.00 O ATOM 270 CB THR A 18 13.394 -5.138 -9.989 1.00 0.00 C ATOM 271 OG1 THR A 18 14.710 -5.612 -10.211 1.00 0.00 O ATOM 272 CG2 THR A 18 13.383 -4.216 -8.765 1.00 0.00 C ATOM 0 H THR A 18 11.030 -4.789 -9.436 1.00 0.00 H new ATOM 0 HA THR A 18 12.529 -6.922 -10.774 1.00 0.00 H new ATOM 0 HB THR A 18 13.071 -4.548 -10.847 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.326 -4.852 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.119 -3.423 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.393 -3.776 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.630 -4.792 -7.873 1.00 0.00 H new ATOM 280 N ASP A 19 13.694 -7.983 -8.695 1.00 0.00 N ATOM 281 CA ASP A 19 14.067 -8.935 -7.647 1.00 0.00 C ATOM 282 C ASP A 19 14.563 -8.236 -6.372 1.00 0.00 C ATOM 283 O ASP A 19 14.965 -8.914 -5.423 1.00 0.00 O ATOM 284 CB ASP A 19 15.148 -9.897 -8.174 1.00 0.00 C ATOM 285 CG ASP A 19 14.577 -10.943 -9.124 1.00 0.00 C ATOM 286 OD1 ASP A 19 14.337 -10.596 -10.302 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.415 -12.112 -8.716 1.00 0.00 O ATOM 0 H ASP A 19 14.384 -7.929 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 19 13.170 -9.495 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.921 -9.325 -8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.628 -10.397 -7.333 1.00 0.00 H new ATOM 292 N SER A 20 14.621 -6.901 -6.341 1.00 0.00 N ATOM 293 CA SER A 20 15.275 -6.121 -5.291 1.00 0.00 C ATOM 294 C SER A 20 14.406 -5.064 -4.612 1.00 0.00 C ATOM 295 O SER A 20 14.882 -4.365 -3.713 1.00 0.00 O ATOM 296 CB SER A 20 16.492 -5.464 -5.922 1.00 0.00 C ATOM 297 OG SER A 20 16.081 -4.393 -6.747 1.00 0.00 O ATOM 0 H SER A 20 14.202 -6.319 -7.067 1.00 0.00 H new ATOM 0 HA SER A 20 15.527 -6.812 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.164 -5.100 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.049 -6.195 -6.509 1.00 0.00 H new ATOM 0 HG SER A 20 16.868 -3.971 -7.151 1.00 0.00 H new ATOM 303 N SER A 21 13.189 -4.857 -5.104 1.00 0.00 N ATOM 304 CA SER A 21 12.247 -3.839 -4.682 1.00 0.00 C ATOM 305 C SER A 21 10.932 -4.042 -5.440 1.00 0.00 C ATOM 306 O SER A 21 10.874 -4.822 -6.395 1.00 0.00 O ATOM 307 CB SER A 21 12.830 -2.425 -4.906 1.00 0.00 C ATOM 308 OG SER A 21 13.731 -2.349 -6.008 1.00 0.00 O ATOM 0 H SER A 21 12.815 -5.436 -5.856 1.00 0.00 H new ATOM 0 HA SER A 21 12.054 -3.931 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.011 -1.724 -5.068 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.348 -2.107 -4.001 1.00 0.00 H new ATOM 0 HG SER A 21 14.063 -1.431 -6.097 1.00 0.00 H new ATOM 314 N ILE A 22 9.875 -3.324 -5.061 1.00 0.00 N ATOM 315 CA ILE A 22 8.701 -3.143 -5.918 1.00 0.00 C ATOM 316 C ILE A 22 8.349 -1.655 -5.909 1.00 0.00 C ATOM 317 O ILE A 22 8.295 -1.019 -4.849 1.00 0.00 O ATOM 318 CB ILE A 22 7.549 -4.098 -5.502 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.545 -4.289 -6.657 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.814 -3.649 -4.233 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.414 -5.289 -6.358 1.00 0.00 C ATOM 0 H ILE A 22 9.807 -2.854 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 22 8.906 -3.425 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 22 8.022 -5.053 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.104 -3.323 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.087 -4.626 -7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.022 -4.361 -4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.518 -3.604 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.379 -2.663 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.755 -5.362 -7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.842 -6.269 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.843 -4.946 -5.495 1.00 0.00 H new ATOM 333 N GLY A 23 8.128 -1.059 -7.078 1.00 0.00 N ATOM 334 CA GLY A 23 7.620 0.297 -7.182 1.00 0.00 C ATOM 335 C GLY A 23 6.104 0.281 -7.025 1.00 0.00 C ATOM 336 O GLY A 23 5.437 -0.674 -7.424 1.00 0.00 O ATOM 0 H GLY A 23 8.298 -1.507 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.070 0.926 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.893 0.727 -8.146 1.00 0.00 H new ATOM 340 N LEU A 24 5.560 1.368 -6.488 1.00 0.00 N ATOM 341 CA LEU A 24 4.137 1.649 -6.371 1.00 0.00 C ATOM 342 C LEU A 24 3.904 2.978 -7.071 1.00 0.00 C ATOM 343 O LEU A 24 4.784 3.842 -7.076 1.00 0.00 O ATOM 344 CB LEU A 24 3.670 1.765 -4.901 1.00 0.00 C ATOM 345 CG LEU A 24 3.192 0.434 -4.279 1.00 0.00 C ATOM 346 CD1 LEU A 24 3.385 0.294 -2.759 1.00 0.00 C ATOM 347 CD2 LEU A 24 1.684 0.309 -4.518 1.00 0.00 C ATOM 0 H LEU A 24 6.134 2.117 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 24 3.571 0.830 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.491 2.159 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.858 2.490 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 24 3.803 -0.332 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.014 -0.678 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.445 0.378 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.833 1.083 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.323 -0.625 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.170 1.148 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.484 0.315 -5.589 1.00 0.00 H new ATOM 359 N ARG A 25 2.700 3.164 -7.608 1.00 0.00 N ATOM 360 CA ARG A 25 2.200 4.456 -8.040 1.00 0.00 C ATOM 361 C ARG A 25 0.761 4.561 -7.555 1.00 0.00 C ATOM 362 O ARG A 25 0.054 3.553 -7.507 1.00 0.00 O ATOM 363 CB ARG A 25 2.358 4.607 -9.564 1.00 0.00 C ATOM 364 CG ARG A 25 1.427 3.694 -10.378 1.00 0.00 C ATOM 365 CD ARG A 25 1.787 3.711 -11.865 1.00 0.00 C ATOM 366 NE ARG A 25 0.736 3.064 -12.664 1.00 0.00 N ATOM 367 CZ ARG A 25 0.802 2.730 -13.957 1.00 0.00 C ATOM 368 NH1 ARG A 25 1.907 2.960 -14.662 1.00 0.00 N ATOM 369 NH2 ARG A 25 -0.251 2.169 -14.543 1.00 0.00 N ATOM 0 H ARG A 25 2.037 2.403 -7.755 1.00 0.00 H new ATOM 0 HA ARG A 25 2.769 5.282 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.166 5.644 -9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.391 4.392 -9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.492 2.674 -9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.394 4.017 -10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.923 4.740 -12.199 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.736 3.198 -12.020 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.136 2.847 -12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.715 3.395 -14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.946 2.701 -15.648 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.101 1.996 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.209 1.911 -15.529 1.00 0.00 H new ATOM 383 N TRP A 26 0.330 5.756 -7.178 1.00 0.00 N ATOM 384 CA TRP A 26 -1.059 6.090 -6.913 1.00 0.00 C ATOM 385 C TRP A 26 -1.245 7.600 -7.074 1.00 0.00 C ATOM 386 O TRP A 26 -0.317 8.301 -7.477 1.00 0.00 O ATOM 387 CB TRP A 26 -1.447 5.598 -5.517 1.00 0.00 C ATOM 388 CG TRP A 26 -0.642 6.158 -4.388 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.715 7.421 -3.912 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.382 5.490 -3.589 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.151 7.555 -2.859 1.00 0.00 N ATOM 392 CE2 TRP A 26 0.873 6.416 -2.631 1.00 0.00 C ATOM 393 CE3 TRP A 26 0.979 4.214 -3.595 1.00 0.00 C ATOM 394 CZ2 TRP A 26 1.925 6.125 -1.763 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.049 3.911 -2.730 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.546 4.873 -1.839 1.00 0.00 C ATOM 0 H TRP A 26 0.961 6.546 -7.044 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.720 5.594 -7.624 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.496 5.838 -5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.361 4.512 -5.497 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.354 8.200 -4.300 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.247 8.408 -2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.611 3.457 -4.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.256 6.857 -1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.492 2.926 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.400 4.650 -1.217 1.00 0.00 H new ATOM 407 N THR A 27 -2.426 8.127 -6.754 1.00 0.00 N ATOM 408 CA THR A 27 -2.759 9.533 -6.940 1.00 0.00 C ATOM 409 C THR A 27 -2.838 10.198 -5.567 1.00 0.00 C ATOM 410 O THR A 27 -3.743 9.860 -4.798 1.00 0.00 O ATOM 411 CB THR A 27 -4.039 9.669 -7.771 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.776 9.115 -9.040 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.416 11.133 -7.957 1.00 0.00 C ATOM 0 H THR A 27 -3.187 7.579 -6.353 1.00 0.00 H new ATOM 0 HA THR A 27 -1.986 10.051 -7.508 1.00 0.00 H new ATOM 0 HB THR A 27 -4.859 9.162 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.578 9.184 -9.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.328 11.201 -8.550 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.582 11.593 -6.983 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.609 11.654 -8.471 1.00 0.00 H new ATOM 421 N PRO A 28 -1.843 11.021 -5.185 1.00 0.00 N ATOM 422 CA PRO A 28 -1.766 11.541 -3.836 1.00 0.00 C ATOM 423 C PRO A 28 -2.873 12.565 -3.594 1.00 0.00 C ATOM 424 O PRO A 28 -2.979 13.619 -4.234 1.00 0.00 O ATOM 425 CB PRO A 28 -0.377 12.158 -3.705 1.00 0.00 C ATOM 426 CG PRO A 28 -0.021 12.548 -5.135 1.00 0.00 C ATOM 427 CD PRO A 28 -0.728 11.498 -5.987 1.00 0.00 C ATOM 0 HA PRO A 28 -1.910 10.762 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.384 13.024 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.340 11.448 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.366 13.554 -5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.057 12.534 -5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.077 11.927 -6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.052 10.682 -6.242 1.00 0.00 H new ATOM 435 N LEU A 29 -3.646 12.269 -2.564 1.00 0.00 N ATOM 436 CA LEU A 29 -4.601 13.128 -1.905 1.00 0.00 C ATOM 437 C LEU A 29 -3.770 14.068 -1.057 1.00 0.00 C ATOM 438 O LEU A 29 -3.388 13.697 0.047 1.00 0.00 O ATOM 439 CB LEU A 29 -5.620 12.304 -1.078 1.00 0.00 C ATOM 440 CG LEU A 29 -6.209 11.100 -1.845 1.00 0.00 C ATOM 441 CD1 LEU A 29 -6.130 9.775 -1.087 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.653 11.383 -2.250 1.00 0.00 C ATOM 0 H LEU A 29 -3.615 11.344 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.213 13.689 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.133 11.944 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.434 12.958 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.584 10.980 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.565 8.982 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.087 9.539 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.682 9.858 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.054 10.525 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.253 11.563 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.685 12.263 -2.892 1.00 0.00 H new ATOM 454 N ASN A 30 -3.445 15.256 -1.569 1.00 0.00 N ATOM 455 CA ASN A 30 -2.672 16.277 -0.849 1.00 0.00 C ATOM 456 C ASN A 30 -3.594 16.994 0.162 1.00 0.00 C ATOM 457 O ASN A 30 -3.582 18.221 0.286 1.00 0.00 O ATOM 458 CB ASN A 30 -2.033 17.273 -1.841 1.00 0.00 C ATOM 459 CG ASN A 30 -0.842 16.754 -2.641 1.00 0.00 C ATOM 460 OD1 ASN A 30 0.243 17.306 -2.540 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.981 15.740 -3.481 1.00 0.00 N ATOM 0 H ASN A 30 -3.714 15.543 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.859 15.802 -0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.801 17.599 -2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.714 18.154 -1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.186 15.426 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.883 15.273 -3.572 1.00 0.00 H new ATOM 468 N SER A 31 -4.489 16.248 0.816 1.00 0.00 N ATOM 469 CA SER A 31 -5.687 16.767 1.466 1.00 0.00 C ATOM 470 C SER A 31 -5.440 17.516 2.786 1.00 0.00 C ATOM 471 O SER A 31 -6.408 18.023 3.356 1.00 0.00 O ATOM 472 CB SER A 31 -6.627 15.582 1.709 1.00 0.00 C ATOM 473 OG SER A 31 -7.205 15.176 0.486 1.00 0.00 O ATOM 0 H SER A 31 -4.393 15.237 0.908 1.00 0.00 H new ATOM 0 HA SER A 31 -6.116 17.516 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.076 14.754 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.408 15.863 2.416 1.00 0.00 H new ATOM 0 HG SER A 31 -7.804 14.417 0.644 1.00 0.00 H new ATOM 479 N SER A 32 -4.201 17.601 3.283 1.00 0.00 N ATOM 480 CA SER A 32 -3.772 18.201 4.553 1.00 0.00 C ATOM 481 C SER A 32 -4.201 17.396 5.791 1.00 0.00 C ATOM 482 O SER A 32 -3.345 16.924 6.539 1.00 0.00 O ATOM 483 CB SER A 32 -4.096 19.700 4.598 1.00 0.00 C ATOM 484 OG SER A 32 -5.443 19.994 4.925 1.00 0.00 O ATOM 0 H SER A 32 -3.408 17.221 2.766 1.00 0.00 H new ATOM 0 HA SER A 32 -2.685 18.138 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.444 20.179 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.865 20.139 3.627 1.00 0.00 H new ATOM 0 HG SER A 32 -6.035 19.346 4.488 1.00 0.00 H new ATOM 490 N THR A 33 -5.502 17.162 5.972 1.00 0.00 N ATOM 491 CA THR A 33 -6.073 16.410 7.088 1.00 0.00 C ATOM 492 C THR A 33 -5.645 14.933 7.051 1.00 0.00 C ATOM 493 O THR A 33 -5.552 14.262 8.079 1.00 0.00 O ATOM 494 CB THR A 33 -7.602 16.601 7.027 1.00 0.00 C ATOM 495 OG1 THR A 33 -8.134 16.660 8.327 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.356 15.544 6.206 1.00 0.00 C ATOM 0 H THR A 33 -6.211 17.503 5.322 1.00 0.00 H new ATOM 0 HA THR A 33 -5.701 16.782 8.043 1.00 0.00 H new ATOM 0 HB THR A 33 -7.752 17.544 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.105 16.783 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.424 15.764 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.998 15.560 5.176 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.182 14.557 6.635 1.00 0.00 H new ATOM 504 N ILE A 34 -5.391 14.421 5.846 1.00 0.00 N ATOM 505 CA ILE A 34 -4.797 13.125 5.568 1.00 0.00 C ATOM 506 C ILE A 34 -3.508 12.960 6.378 1.00 0.00 C ATOM 507 O ILE A 34 -2.710 13.899 6.459 1.00 0.00 O ATOM 508 CB ILE A 34 -4.645 13.000 4.049 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.372 11.556 3.600 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.671 14.039 3.491 1.00 0.00 C ATOM 511 CD1 ILE A 34 -2.908 11.208 3.320 1.00 0.00 C ATOM 0 H ILE A 34 -5.609 14.935 4.992 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.426 12.294 5.889 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.608 13.241 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.745 10.880 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.951 11.361 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.590 13.918 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.038 15.040 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.690 13.900 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.835 10.165 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.527 11.850 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.318 11.361 4.224 1.00 0.00 H new ATOM 523 N ILE A 35 -3.306 11.810 7.014 1.00 0.00 N ATOM 524 CA ILE A 35 -2.073 11.567 7.754 1.00 0.00 C ATOM 525 C ILE A 35 -1.080 11.074 6.717 1.00 0.00 C ATOM 526 O ILE A 35 -0.137 11.783 6.395 1.00 0.00 O ATOM 527 CB ILE A 35 -2.284 10.587 8.925 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.287 11.160 9.950 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.960 10.274 9.644 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.682 10.572 9.764 1.00 0.00 C ATOM 0 H ILE A 35 -3.973 11.039 7.032 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.701 12.467 8.243 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.683 9.666 8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.935 10.950 10.960 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.333 12.244 9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.146 9.580 10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.261 9.824 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.534 11.196 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.359 11.000 10.504 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.044 10.805 8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.641 9.490 9.893 1.00 0.00 H new ATOM 542 N GLY A 36 -1.325 9.910 6.121 1.00 0.00 N ATOM 543 CA GLY A 36 -0.413 9.351 5.143 1.00 0.00 C ATOM 544 C GLY A 36 -1.041 8.137 4.494 1.00 0.00 C ATOM 545 O GLY A 36 -2.264 7.964 4.507 1.00 0.00 O ATOM 0 H GLY A 36 -2.151 9.339 6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.175 10.098 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.525 9.074 5.624 1.00 0.00 H new ATOM 549 N TYR A 37 -0.191 7.306 3.904 1.00 0.00 N ATOM 550 CA TYR A 37 -0.582 6.021 3.369 1.00 0.00 C ATOM 551 C TYR A 37 0.401 5.037 3.998 1.00 0.00 C ATOM 552 O TYR A 37 1.605 5.304 4.052 1.00 0.00 O ATOM 553 CB TYR A 37 -0.516 6.022 1.816 1.00 0.00 C ATOM 554 CG TYR A 37 -0.956 7.321 1.161 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.297 7.722 1.254 1.00 0.00 C ATOM 556 CD2 TYR A 37 -0.033 8.145 0.490 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.720 8.942 0.702 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.448 9.361 -0.086 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.795 9.768 0.028 1.00 0.00 C ATOM 560 OH TYR A 37 -2.202 10.930 -0.549 1.00 0.00 O ATOM 0 H TYR A 37 0.800 7.514 3.785 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.613 5.757 3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.507 5.805 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.140 5.212 1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.011 7.086 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.001 7.842 0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.752 9.248 0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.262 9.981 -0.614 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.542 11.537 0.142 1.00 0.00 H new ATOM 570 N ARG A 38 -0.120 3.931 4.512 1.00 0.00 N ATOM 571 CA ARG A 38 0.623 2.908 5.223 1.00 0.00 C ATOM 572 C ARG A 38 0.691 1.697 4.324 1.00 0.00 C ATOM 573 O ARG A 38 -0.353 1.227 3.867 1.00 0.00 O ATOM 574 CB ARG A 38 -0.092 2.611 6.543 1.00 0.00 C ATOM 575 CG ARG A 38 0.455 1.413 7.336 1.00 0.00 C ATOM 576 CD ARG A 38 -0.205 0.075 6.947 1.00 0.00 C ATOM 577 NE ARG A 38 -0.323 -0.796 8.129 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.311 -1.653 8.413 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.178 -2.039 7.482 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.463 -2.109 9.648 1.00 0.00 N ATOM 0 H ARG A 38 -1.115 3.716 4.440 1.00 0.00 H new ATOM 0 HA ARG A 38 1.638 3.224 5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.037 3.498 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.147 2.435 6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.531 1.340 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.302 1.590 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.191 0.258 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.387 -0.421 6.178 1.00 0.00 H new ATOM 0 HE ARG A 38 0.435 -0.740 8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.097 -1.681 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.924 -2.693 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.826 -1.807 10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.217 -2.762 9.861 1.00 0.00 H new ATOM 594 N ILE A 39 1.887 1.177 4.093 1.00 0.00 N ATOM 595 CA ILE A 39 2.096 -0.045 3.342 1.00 0.00 C ATOM 596 C ILE A 39 2.357 -1.154 4.355 1.00 0.00 C ATOM 597 O ILE A 39 2.799 -0.926 5.477 1.00 0.00 O ATOM 598 CB ILE A 39 3.191 0.166 2.263 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.597 1.020 1.115 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.700 -1.155 1.654 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.729 2.537 1.304 1.00 0.00 C ATOM 0 H ILE A 39 2.752 1.601 4.429 1.00 0.00 H new ATOM 0 HA ILE A 39 1.223 -0.345 2.762 1.00 0.00 H new ATOM 0 HB ILE A 39 4.033 0.656 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.087 0.741 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.541 0.772 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.464 -0.941 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.127 -1.778 2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.870 -1.682 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.285 3.050 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.213 2.836 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.783 2.804 1.379 1.00 0.00 H new ATOM 613 N THR A 40 2.017 -2.374 3.986 1.00 0.00 N ATOM 614 CA THR A 40 2.341 -3.615 4.657 1.00 0.00 C ATOM 615 C THR A 40 2.716 -4.610 3.565 1.00 0.00 C ATOM 616 O THR A 40 2.276 -4.493 2.425 1.00 0.00 O ATOM 617 CB THR A 40 1.126 -4.049 5.490 1.00 0.00 C ATOM 618 OG1 THR A 40 1.032 -3.205 6.623 1.00 0.00 O ATOM 619 CG2 THR A 40 1.200 -5.492 5.994 1.00 0.00 C ATOM 0 H THR A 40 1.464 -2.534 3.144 1.00 0.00 H new ATOM 0 HA THR A 40 3.178 -3.530 5.351 1.00 0.00 H new ATOM 0 HB THR A 40 0.260 -3.977 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.259 -3.469 7.164 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.306 -5.721 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.266 -6.171 5.144 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.081 -5.613 6.624 1.00 0.00 H new ATOM 627 N VAL A 41 3.533 -5.586 3.921 1.00 0.00 N ATOM 628 CA VAL A 41 3.886 -6.723 3.101 1.00 0.00 C ATOM 629 C VAL A 41 3.862 -7.951 3.988 1.00 0.00 C ATOM 630 O VAL A 41 4.469 -7.960 5.063 1.00 0.00 O ATOM 631 CB VAL A 41 5.206 -6.513 2.318 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.947 -6.561 0.819 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.824 -5.105 2.519 1.00 0.00 C ATOM 0 H VAL A 41 3.988 -5.604 4.834 1.00 0.00 H new ATOM 0 HA VAL A 41 3.156 -6.860 2.303 1.00 0.00 H new ATOM 0 HB VAL A 41 5.866 -7.297 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.884 -6.412 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.527 -7.531 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.244 -5.774 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.746 -5.027 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.119 -4.346 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.043 -4.951 3.576 1.00 0.00 H new ATOM 643 N VAL A 42 3.116 -8.959 3.554 1.00 0.00 N ATOM 644 CA VAL A 42 3.073 -10.274 4.183 1.00 0.00 C ATOM 645 C VAL A 42 3.353 -11.314 3.093 1.00 0.00 C ATOM 646 O VAL A 42 3.262 -10.991 1.907 1.00 0.00 O ATOM 647 CB VAL A 42 1.765 -10.471 4.988 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.299 -9.206 5.721 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.604 -10.890 4.107 1.00 0.00 C ATOM 0 H VAL A 42 2.510 -8.884 2.737 1.00 0.00 H new ATOM 0 HA VAL A 42 3.845 -10.391 4.943 1.00 0.00 H new ATOM 0 HB VAL A 42 2.024 -11.249 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.378 -9.418 6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.069 -8.888 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.119 -8.411 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.290 -11.015 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.424 -10.123 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.842 -11.833 3.615 1.00 0.00 H new ATOM 659 N ALA A 43 3.672 -12.550 3.470 1.00 0.00 N ATOM 660 CA ALA A 43 3.857 -13.646 2.529 1.00 0.00 C ATOM 661 C ALA A 43 2.533 -14.401 2.434 1.00 0.00 C ATOM 662 O ALA A 43 2.196 -15.199 3.321 1.00 0.00 O ATOM 663 CB ALA A 43 4.996 -14.556 3.001 1.00 0.00 C ATOM 0 H ALA A 43 3.810 -12.818 4.444 1.00 0.00 H new ATOM 0 HA ALA A 43 4.134 -13.275 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.127 -15.373 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.919 -13.980 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.753 -14.964 3.982 1.00 0.00 H new ATOM 669 N ALA A 44 1.802 -14.141 1.353 1.00 0.00 N ATOM 670 CA ALA A 44 0.515 -14.718 1.021 1.00 0.00 C ATOM 671 C ALA A 44 -0.464 -14.688 2.207 1.00 0.00 C ATOM 672 O ALA A 44 -0.423 -13.816 3.083 1.00 0.00 O ATOM 673 CB ALA A 44 0.755 -16.109 0.417 1.00 0.00 C ATOM 0 H ALA A 44 2.119 -13.479 0.645 1.00 0.00 H new ATOM 0 HA ALA A 44 0.009 -14.113 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.201 -16.564 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.366 -16.015 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.271 -16.737 1.143 1.00 0.00 H new ATOM 679 N GLY A 45 -1.383 -15.647 2.254 1.00 0.00 N ATOM 680 CA GLY A 45 -2.322 -15.823 3.344 1.00 0.00 C ATOM 681 C GLY A 45 -1.694 -16.478 4.575 1.00 0.00 C ATOM 682 O GLY A 45 -2.438 -16.864 5.480 1.00 0.00 O ATOM 0 H GLY A 45 -1.494 -16.339 1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.730 -14.852 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.158 -16.433 3.001 1.00 0.00 H new ATOM 686 N GLU A 46 -0.371 -16.674 4.650 1.00 0.00 N ATOM 687 CA GLU A 46 0.212 -17.532 5.679 1.00 0.00 C ATOM 688 C GLU A 46 0.340 -16.811 7.031 1.00 0.00 C ATOM 689 O GLU A 46 0.700 -17.416 8.041 1.00 0.00 O ATOM 690 CB GLU A 46 1.534 -18.101 5.152 1.00 0.00 C ATOM 691 CG GLU A 46 1.935 -19.382 5.895 1.00 0.00 C ATOM 692 CD GLU A 46 2.689 -20.348 4.984 1.00 0.00 C ATOM 693 OE1 GLU A 46 3.928 -20.214 4.841 1.00 0.00 O ATOM 694 OE2 GLU A 46 2.055 -21.295 4.461 1.00 0.00 O ATOM 0 H GLU A 46 0.307 -16.253 4.015 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.456 -18.368 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.441 -18.312 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.321 -17.355 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.559 -19.126 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.043 -19.871 6.286 1.00 0.00 H new ATOM 701 N GLY A 47 0.041 -15.510 7.064 1.00 0.00 N ATOM 702 CA GLY A 47 0.025 -14.652 8.242 1.00 0.00 C ATOM 703 C GLY A 47 1.407 -14.163 8.639 1.00 0.00 C ATOM 704 O GLY A 47 1.506 -13.127 9.301 1.00 0.00 O ATOM 0 H GLY A 47 -0.211 -15.001 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.617 -13.792 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.415 -15.198 9.077 1.00 0.00 H new ATOM 708 N ILE A 48 2.435 -14.879 8.184 1.00 0.00 N ATOM 709 CA ILE A 48 3.839 -14.523 8.101 1.00 0.00 C ATOM 710 C ILE A 48 3.947 -13.089 7.557 1.00 0.00 C ATOM 711 O ILE A 48 3.711 -12.879 6.364 1.00 0.00 O ATOM 712 CB ILE A 48 4.537 -15.582 7.213 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.594 -16.931 7.968 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.932 -15.138 6.755 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.213 -18.078 7.161 1.00 0.00 C ATOM 0 H ILE A 48 2.280 -15.822 7.828 1.00 0.00 H new ATOM 0 HA ILE A 48 4.337 -14.527 9.071 1.00 0.00 H new ATOM 0 HB ILE A 48 3.947 -15.703 6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.167 -16.797 8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.583 -17.213 8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.377 -15.917 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.849 -14.218 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.563 -14.963 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.215 -18.987 7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.628 -18.243 6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.237 -17.821 6.889 1.00 0.00 H new ATOM 727 N PRO A 49 4.259 -12.091 8.398 1.00 0.00 N ATOM 728 CA PRO A 49 4.497 -10.738 7.937 1.00 0.00 C ATOM 729 C PRO A 49 5.905 -10.654 7.343 1.00 0.00 C ATOM 730 O PRO A 49 6.746 -11.530 7.564 1.00 0.00 O ATOM 731 CB PRO A 49 4.370 -9.885 9.198 1.00 0.00 C ATOM 732 CG PRO A 49 4.963 -10.791 10.276 1.00 0.00 C ATOM 733 CD PRO A 49 4.582 -12.198 9.813 1.00 0.00 C ATOM 0 HA PRO A 49 3.806 -10.409 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.919 -8.947 9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.332 -9.628 9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.044 -10.672 10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.550 -10.567 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.405 -12.895 9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.730 -12.576 10.378 1.00 0.00 H new ATOM 741 N ILE A 50 6.200 -9.556 6.658 1.00 0.00 N ATOM 742 CA ILE A 50 7.553 -9.183 6.279 1.00 0.00 C ATOM 743 C ILE A 50 7.860 -7.951 7.123 1.00 0.00 C ATOM 744 O ILE A 50 8.568 -8.058 8.127 1.00 0.00 O ATOM 745 CB ILE A 50 7.669 -8.988 4.748 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.076 -10.136 3.918 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.106 -8.627 4.330 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.906 -11.397 4.022 1.00 0.00 C ATOM 0 H ILE A 50 5.493 -8.890 6.346 1.00 0.00 H new ATOM 0 HA ILE A 50 8.298 -9.954 6.478 1.00 0.00 H new ATOM 0 HB ILE A 50 7.037 -8.132 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.060 -10.341 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.008 -9.831 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.149 -8.498 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.405 -7.699 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.783 -9.428 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.450 -12.183 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.915 -11.200 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.952 -11.718 5.063 1.00 0.00 H new ATOM 760 N PHE A 51 7.272 -6.806 6.778 1.00 0.00 N ATOM 761 CA PHE A 51 7.330 -5.562 7.529 1.00 0.00 C ATOM 762 C PHE A 51 6.163 -4.687 7.079 1.00 0.00 C ATOM 763 O PHE A 51 5.402 -5.045 6.174 1.00 0.00 O ATOM 764 CB PHE A 51 8.699 -4.871 7.376 1.00 0.00 C ATOM 765 CG PHE A 51 8.883 -3.994 6.151 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.734 -4.522 4.854 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.216 -2.636 6.314 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.878 -3.685 3.735 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.368 -1.807 5.193 1.00 0.00 C ATOM 770 CZ PHE A 51 9.177 -2.324 3.902 1.00 0.00 C ATOM 0 H PHE A 51 6.717 -6.721 5.926 1.00 0.00 H new ATOM 0 HA PHE A 51 7.232 -5.757 8.597 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.874 -4.260 8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.470 -5.641 7.363 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.509 -5.570 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.355 -2.231 7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.758 -4.091 2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.633 -0.768 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.260 -1.677 3.041 1.00 0.00 H new ATOM 780 N GLU A 52 6.011 -3.545 7.733 1.00 0.00 N ATOM 781 CA GLU A 52 5.111 -2.488 7.305 1.00 0.00 C ATOM 782 C GLU A 52 5.865 -1.160 7.316 1.00 0.00 C ATOM 783 O GLU A 52 6.918 -1.052 7.951 1.00 0.00 O ATOM 784 CB GLU A 52 3.833 -2.527 8.154 1.00 0.00 C ATOM 785 CG GLU A 52 3.980 -1.976 9.575 1.00 0.00 C ATOM 786 CD GLU A 52 3.183 -0.684 9.754 1.00 0.00 C ATOM 787 OE1 GLU A 52 1.929 -0.750 9.835 1.00 0.00 O ATOM 788 OE2 GLU A 52 3.781 0.390 9.974 1.00 0.00 O ATOM 0 H GLU A 52 6.519 -3.325 8.590 1.00 0.00 H new ATOM 0 HA GLU A 52 4.774 -2.628 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.056 -1.961 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.487 -3.559 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.637 -2.720 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.033 -1.789 9.788 1.00 0.00 H new ATOM 795 N ASP A 53 5.372 -0.169 6.579 1.00 0.00 N ATOM 796 CA ASP A 53 6.106 1.050 6.252 1.00 0.00 C ATOM 797 C ASP A 53 5.140 2.207 6.019 1.00 0.00 C ATOM 798 O ASP A 53 3.934 1.993 5.859 1.00 0.00 O ATOM 799 CB ASP A 53 6.978 0.834 5.005 1.00 0.00 C ATOM 800 CG ASP A 53 8.239 1.712 4.973 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.566 2.356 5.999 1.00 0.00 O ATOM 802 OD2 ASP A 53 8.969 1.685 3.952 1.00 0.00 O ATOM 0 H ASP A 53 4.432 -0.191 6.184 1.00 0.00 H new ATOM 0 HA ASP A 53 6.753 1.297 7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.274 -0.214 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.382 1.038 4.116 1.00 0.00 H new ATOM 807 N PHE A 54 5.653 3.435 5.994 1.00 0.00 N ATOM 808 CA PHE A 54 4.861 4.642 5.801 1.00 0.00 C ATOM 809 C PHE A 54 5.448 5.484 4.682 1.00 0.00 C ATOM 810 O PHE A 54 6.633 5.355 4.360 1.00 0.00 O ATOM 811 CB PHE A 54 4.820 5.450 7.105 1.00 0.00 C ATOM 812 CG PHE A 54 3.433 5.532 7.687 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.931 4.448 8.426 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.639 6.672 7.471 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.639 4.514 8.965 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.347 6.736 8.012 1.00 0.00 C ATOM 817 CZ PHE A 54 0.851 5.658 8.764 1.00 0.00 C ATOM 0 H PHE A 54 6.649 3.620 6.110 1.00 0.00 H new ATOM 0 HA PHE A 54 3.845 4.358 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.490 4.993 7.833 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.192 6.457 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.538 3.568 8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.024 7.497 6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.249 3.684 9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.735 7.611 7.851 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.140 5.710 9.189 1.00 0.00 H new ATOM 827 N VAL A 55 4.633 6.378 4.121 1.00 0.00 N ATOM 828 CA VAL A 55 5.115 7.496 3.339 1.00 0.00 C ATOM 829 C VAL A 55 4.530 8.798 3.915 1.00 0.00 C ATOM 830 O VAL A 55 3.677 8.757 4.804 1.00 0.00 O ATOM 831 CB VAL A 55 4.749 7.244 1.859 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.983 6.812 1.068 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.619 6.235 1.596 1.00 0.00 C ATOM 0 H VAL A 55 3.617 6.339 4.202 1.00 0.00 H new ATOM 0 HA VAL A 55 6.199 7.599 3.388 1.00 0.00 H new ATOM 0 HB VAL A 55 4.365 8.208 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.706 6.639 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.739 7.596 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.385 5.893 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.455 6.144 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.897 5.263 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.703 6.581 2.075 1.00 0.00 H new ATOM 843 N ASP A 56 4.843 9.938 3.292 1.00 0.00 N ATOM 844 CA ASP A 56 4.810 11.243 3.959 1.00 0.00 C ATOM 845 C ASP A 56 3.386 11.675 4.301 1.00 0.00 C ATOM 846 O ASP A 56 2.960 11.655 5.453 1.00 0.00 O ATOM 847 CB ASP A 56 5.498 12.299 3.067 1.00 0.00 C ATOM 848 CG ASP A 56 6.078 13.463 3.863 1.00 0.00 C ATOM 849 OD1 ASP A 56 5.495 13.868 4.897 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.140 13.975 3.439 1.00 0.00 O ATOM 0 H ASP A 56 5.126 9.982 2.313 1.00 0.00 H new ATOM 0 HA ASP A 56 5.351 11.154 4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.296 11.822 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.777 12.683 2.345 1.00 0.00 H new ATOM 855 N SER A 57 2.649 12.021 3.249 1.00 0.00 N ATOM 856 CA SER A 57 1.273 12.469 3.185 1.00 0.00 C ATOM 857 C SER A 57 0.875 12.822 1.758 1.00 0.00 C ATOM 858 O SER A 57 -0.302 12.705 1.421 1.00 0.00 O ATOM 859 CB SER A 57 1.021 13.662 4.115 1.00 0.00 C ATOM 860 OG SER A 57 1.972 14.690 3.924 1.00 0.00 O ATOM 0 H SER A 57 3.057 11.988 2.315 1.00 0.00 H new ATOM 0 HA SER A 57 0.652 11.640 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.020 14.056 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.052 13.327 5.152 1.00 0.00 H new ATOM 0 HG SER A 57 1.777 15.433 4.533 1.00 0.00 H new ATOM 866 N SER A 58 1.841 13.181 0.905 1.00 0.00 N ATOM 867 CA SER A 58 1.563 13.596 -0.460 1.00 0.00 C ATOM 868 C SER A 58 2.379 12.817 -1.486 1.00 0.00 C ATOM 869 O SER A 58 2.464 13.230 -2.644 1.00 0.00 O ATOM 870 CB SER A 58 1.634 15.124 -0.558 1.00 0.00 C ATOM 871 OG SER A 58 2.913 15.671 -0.292 1.00 0.00 O ATOM 0 H SER A 58 2.832 13.190 1.148 1.00 0.00 H new ATOM 0 HA SER A 58 0.540 13.331 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.325 15.426 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.916 15.554 0.141 1.00 0.00 H new ATOM 0 HG SER A 58 2.875 16.647 -0.376 1.00 0.00 H new ATOM 877 N VAL A 59 2.962 11.685 -1.094 1.00 0.00 N ATOM 878 CA VAL A 59 3.795 10.899 -2.004 1.00 0.00 C ATOM 879 C VAL A 59 2.840 10.208 -2.974 1.00 0.00 C ATOM 880 O VAL A 59 1.878 9.590 -2.527 1.00 0.00 O ATOM 881 CB VAL A 59 4.621 9.864 -1.211 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.435 8.959 -2.142 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.601 10.533 -0.244 1.00 0.00 C ATOM 0 H VAL A 59 2.874 11.293 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 59 4.504 11.528 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 59 3.895 9.274 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.004 8.243 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.760 8.422 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.121 9.567 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.161 9.768 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.292 11.163 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.048 11.145 0.469 1.00 0.00 H new ATOM 893 N GLY A 60 3.087 10.298 -4.286 1.00 0.00 N ATOM 894 CA GLY A 60 2.348 9.565 -5.315 1.00 0.00 C ATOM 895 C GLY A 60 3.130 8.432 -5.971 1.00 0.00 C ATOM 896 O GLY A 60 2.540 7.616 -6.681 1.00 0.00 O ATOM 0 H GLY A 60 3.821 10.895 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.442 9.154 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.033 10.267 -6.087 1.00 0.00 H new ATOM 900 N TYR A 61 4.413 8.303 -5.647 1.00 0.00 N ATOM 901 CA TYR A 61 5.296 7.249 -6.145 1.00 0.00 C ATOM 902 C TYR A 61 6.249 6.838 -5.035 1.00 0.00 C ATOM 903 O TYR A 61 6.933 7.699 -4.478 1.00 0.00 O ATOM 904 CB TYR A 61 6.063 7.683 -7.392 1.00 0.00 C ATOM 905 CG TYR A 61 6.615 6.489 -8.143 1.00 0.00 C ATOM 906 CD1 TYR A 61 7.830 5.889 -7.766 1.00 0.00 C ATOM 907 CD2 TYR A 61 5.867 5.943 -9.199 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.341 4.810 -8.502 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.377 4.866 -9.948 1.00 0.00 C ATOM 910 CZ TYR A 61 7.630 4.311 -9.610 1.00 0.00 C ATOM 911 OH TYR A 61 8.153 3.307 -10.361 1.00 0.00 O ATOM 0 H TYR A 61 4.883 8.948 -5.011 1.00 0.00 H new ATOM 0 HA TYR A 61 4.685 6.396 -6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.404 8.254 -8.046 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.880 8.345 -7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.371 6.260 -6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.896 6.351 -9.437 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.281 4.361 -8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.812 4.466 -10.777 1.00 0.00 H new ATOM 0 HH TYR A 61 8.720 2.739 -9.799 1.00 0.00 H new ATOM 921 N TYR A 62 6.297 5.548 -4.714 1.00 0.00 N ATOM 922 CA TYR A 62 7.066 4.983 -3.609 1.00 0.00 C ATOM 923 C TYR A 62 7.710 3.667 -4.061 1.00 0.00 C ATOM 924 O TYR A 62 7.280 3.055 -5.045 1.00 0.00 O ATOM 925 CB TYR A 62 6.132 4.874 -2.396 1.00 0.00 C ATOM 926 CG TYR A 62 6.528 3.917 -1.282 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.688 4.121 -0.506 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.707 2.808 -1.017 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.024 3.222 0.523 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.028 1.925 0.021 1.00 0.00 C ATOM 931 CZ TYR A 62 7.190 2.117 0.791 1.00 0.00 C ATOM 932 OH TYR A 62 7.485 1.216 1.762 1.00 0.00 O ATOM 0 H TYR A 62 5.781 4.840 -5.237 1.00 0.00 H new ATOM 0 HA TYR A 62 7.900 5.615 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.028 5.869 -1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.147 4.579 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.322 4.973 -0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.825 2.636 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.919 3.378 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.378 1.089 0.233 1.00 0.00 H new ATOM 0 HH TYR A 62 8.053 1.639 2.439 1.00 0.00 H new ATOM 942 N THR A 63 8.744 3.194 -3.371 1.00 0.00 N ATOM 943 CA THR A 63 9.410 1.933 -3.659 1.00 0.00 C ATOM 944 C THR A 63 9.603 1.195 -2.332 1.00 0.00 C ATOM 945 O THR A 63 10.200 1.754 -1.416 1.00 0.00 O ATOM 946 CB THR A 63 10.690 2.181 -4.475 1.00 0.00 C ATOM 947 OG1 THR A 63 10.350 2.905 -5.654 1.00 0.00 O ATOM 948 CG2 THR A 63 11.385 0.890 -4.901 1.00 0.00 C ATOM 0 H THR A 63 9.150 3.691 -2.578 1.00 0.00 H new ATOM 0 HA THR A 63 8.813 1.282 -4.297 1.00 0.00 H new ATOM 0 HB THR A 63 11.375 2.736 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.159 3.070 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.281 1.131 -5.473 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.662 0.317 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.708 0.299 -5.518 1.00 0.00 H new ATOM 956 N VAL A 64 9.050 -0.018 -2.225 1.00 0.00 N ATOM 957 CA VAL A 64 9.257 -0.903 -1.085 1.00 0.00 C ATOM 958 C VAL A 64 10.521 -1.712 -1.377 1.00 0.00 C ATOM 959 O VAL A 64 10.817 -1.982 -2.549 1.00 0.00 O ATOM 960 CB VAL A 64 8.069 -1.882 -0.892 1.00 0.00 C ATOM 961 CG1 VAL A 64 7.907 -2.263 0.582 1.00 0.00 C ATOM 962 CG2 VAL A 64 6.701 -1.401 -1.391 1.00 0.00 C ATOM 0 H VAL A 64 8.439 -0.413 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 64 9.344 -0.310 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 64 8.352 -2.729 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.068 -2.950 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.818 -2.745 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.720 -1.365 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.953 -2.171 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.423 -0.487 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.753 -1.203 -2.462 1.00 0.00 H new ATOM 972 N THR A 65 11.178 -2.188 -0.324 1.00 0.00 N ATOM 973 CA THR A 65 12.305 -3.109 -0.392 1.00 0.00 C ATOM 974 C THR A 65 11.994 -4.301 0.533 1.00 0.00 C ATOM 975 O THR A 65 10.845 -4.468 0.960 1.00 0.00 O ATOM 976 CB THR A 65 13.615 -2.357 -0.053 1.00 0.00 C ATOM 977 OG1 THR A 65 13.521 -0.969 -0.334 1.00 0.00 O ATOM 978 CG2 THR A 65 14.785 -2.899 -0.873 1.00 0.00 C ATOM 0 H THR A 65 10.931 -1.934 0.632 1.00 0.00 H new ATOM 0 HA THR A 65 12.455 -3.508 -1.395 1.00 0.00 H new ATOM 0 HB THR A 65 13.779 -2.511 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.367 -0.531 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.693 -2.354 -0.616 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.923 -3.958 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.574 -2.773 -1.935 1.00 0.00 H new ATOM 986 N GLY A 66 12.965 -5.171 0.824 1.00 0.00 N ATOM 987 CA GLY A 66 12.805 -6.265 1.780 1.00 0.00 C ATOM 988 C GLY A 66 11.978 -7.427 1.236 1.00 0.00 C ATOM 989 O GLY A 66 11.589 -8.317 1.990 1.00 0.00 O ATOM 0 H GLY A 66 13.891 -5.134 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.790 -6.633 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.330 -5.882 2.683 1.00 0.00 H new ATOM 993 N LEU A 67 11.687 -7.408 -0.061 1.00 0.00 N ATOM 994 CA LEU A 67 11.082 -8.510 -0.780 1.00 0.00 C ATOM 995 C LEU A 67 12.170 -9.552 -1.045 1.00 0.00 C ATOM 996 O LEU A 67 13.358 -9.224 -1.131 1.00 0.00 O ATOM 997 CB LEU A 67 10.494 -7.973 -2.099 1.00 0.00 C ATOM 998 CG LEU A 67 8.959 -8.005 -2.157 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.441 -6.810 -2.962 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.505 -9.306 -2.816 1.00 0.00 C ATOM 0 H LEU A 67 11.874 -6.599 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 67 10.278 -8.971 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.832 -6.947 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.891 -8.560 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 67 8.559 -7.949 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.352 -6.840 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.763 -5.884 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.839 -6.854 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.416 -9.332 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.909 -9.362 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.865 -10.154 -2.234 1.00 0.00 H new ATOM 1012 N GLU A 68 11.755 -10.789 -1.265 1.00 0.00 N ATOM 1013 CA GLU A 68 12.583 -11.886 -1.736 1.00 0.00 C ATOM 1014 C GLU A 68 11.666 -12.757 -2.603 1.00 0.00 C ATOM 1015 O GLU A 68 10.548 -13.026 -2.156 1.00 0.00 O ATOM 1016 CB GLU A 68 13.118 -12.688 -0.549 1.00 0.00 C ATOM 1017 CG GLU A 68 14.455 -13.382 -0.813 1.00 0.00 C ATOM 1018 CD GLU A 68 15.620 -12.406 -1.010 1.00 0.00 C ATOM 1019 OE1 GLU A 68 16.283 -12.105 0.015 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.955 -12.035 -2.156 1.00 0.00 O ATOM 0 H GLU A 68 10.786 -11.068 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 68 13.445 -11.530 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.230 -12.020 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.380 -13.440 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.683 -14.044 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.362 -14.008 -1.700 1.00 0.00 H new ATOM 1027 N PRO A 69 12.075 -13.186 -3.807 1.00 0.00 N ATOM 1028 CA PRO A 69 11.195 -13.876 -4.747 1.00 0.00 C ATOM 1029 C PRO A 69 10.862 -15.314 -4.306 1.00 0.00 C ATOM 1030 O PRO A 69 11.254 -15.775 -3.228 1.00 0.00 O ATOM 1031 CB PRO A 69 11.942 -13.811 -6.088 1.00 0.00 C ATOM 1032 CG PRO A 69 13.408 -13.826 -5.670 1.00 0.00 C ATOM 1033 CD PRO A 69 13.390 -12.983 -4.398 1.00 0.00 C ATOM 0 HA PRO A 69 10.214 -13.405 -4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.697 -14.659 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.691 -12.909 -6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.767 -14.838 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.054 -13.395 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.179 -13.292 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.559 -11.930 -4.624 1.00 0.00 H new ATOM 1041 N GLY A 70 10.102 -16.019 -5.144 1.00 0.00 N ATOM 1042 CA GLY A 70 9.668 -17.397 -4.977 1.00 0.00 C ATOM 1043 C GLY A 70 8.265 -17.492 -4.379 1.00 0.00 C ATOM 1044 O GLY A 70 7.626 -18.536 -4.502 1.00 0.00 O ATOM 0 H GLY A 70 9.753 -15.612 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.684 -17.901 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.372 -17.922 -4.332 1.00 0.00 H new ATOM 1048 N ILE A 71 7.779 -16.425 -3.745 1.00 0.00 N ATOM 1049 CA ILE A 71 6.621 -16.398 -2.855 1.00 0.00 C ATOM 1050 C ILE A 71 5.736 -15.223 -3.300 1.00 0.00 C ATOM 1051 O ILE A 71 6.238 -14.255 -3.878 1.00 0.00 O ATOM 1052 CB ILE A 71 7.164 -16.298 -1.405 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.035 -17.504 -0.971 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.107 -15.996 -0.330 1.00 0.00 C ATOM 1055 CD1 ILE A 71 7.321 -18.860 -0.931 1.00 0.00 C ATOM 0 H ILE A 71 8.208 -15.505 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 71 5.997 -17.291 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 71 7.809 -15.421 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.882 -17.580 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.440 -17.298 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.586 -15.946 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.628 -15.041 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.356 -16.786 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.023 -19.632 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.491 -18.814 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.940 -19.100 -1.924 1.00 0.00 H new ATOM 1067 N ASP A 72 4.424 -15.294 -3.072 1.00 0.00 N ATOM 1068 CA ASP A 72 3.437 -14.307 -3.510 1.00 0.00 C ATOM 1069 C ASP A 72 3.237 -13.349 -2.337 1.00 0.00 C ATOM 1070 O ASP A 72 2.779 -13.763 -1.271 1.00 0.00 O ATOM 1071 CB ASP A 72 2.148 -15.047 -3.904 1.00 0.00 C ATOM 1072 CG ASP A 72 1.233 -14.335 -4.913 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.634 -13.369 -5.599 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.183 -14.948 -5.226 1.00 0.00 O ATOM 0 H ASP A 72 4.004 -16.069 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 72 3.754 -13.737 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.424 -16.017 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.573 -15.239 -2.998 1.00 0.00 H new ATOM 1079 N TYR A 73 3.704 -12.108 -2.459 1.00 0.00 N ATOM 1080 CA TYR A 73 3.719 -11.172 -1.340 1.00 0.00 C ATOM 1081 C TYR A 73 2.451 -10.345 -1.440 1.00 0.00 C ATOM 1082 O TYR A 73 2.215 -9.687 -2.454 1.00 0.00 O ATOM 1083 CB TYR A 73 4.939 -10.237 -1.375 1.00 0.00 C ATOM 1084 CG TYR A 73 6.221 -10.802 -0.789 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.697 -12.048 -1.227 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.982 -10.057 0.138 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.913 -12.547 -0.750 1.00 0.00 C ATOM 1088 CE2 TYR A 73 8.204 -10.561 0.624 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.670 -11.816 0.183 1.00 0.00 C ATOM 1090 OH TYR A 73 9.868 -12.304 0.595 1.00 0.00 O ATOM 0 H TYR A 73 4.079 -11.727 -3.328 1.00 0.00 H new ATOM 0 HA TYR A 73 3.776 -11.731 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.128 -9.956 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.688 -9.323 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.121 -12.624 -1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.625 -9.095 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.274 -13.502 -1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.783 -9.987 1.333 1.00 0.00 H new ATOM 0 HH TYR A 73 10.323 -12.734 -0.159 1.00 0.00 H new ATOM 1100 N ASP A 74 1.657 -10.342 -0.373 1.00 0.00 N ATOM 1101 CA ASP A 74 0.419 -9.591 -0.276 1.00 0.00 C ATOM 1102 C ASP A 74 0.816 -8.193 0.168 1.00 0.00 C ATOM 1103 O ASP A 74 0.964 -7.935 1.368 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.570 -10.255 0.703 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.599 -11.175 0.041 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.268 -12.249 -0.502 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.801 -10.825 0.078 1.00 0.00 O ATOM 0 H ASP A 74 1.867 -10.878 0.469 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.106 -9.560 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.005 -10.831 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.098 -9.475 1.251 1.00 0.00 H new ATOM 1112 N ILE A 75 1.053 -7.293 -0.795 1.00 0.00 N ATOM 1113 CA ILE A 75 1.456 -5.925 -0.493 1.00 0.00 C ATOM 1114 C ILE A 75 0.180 -5.122 -0.228 1.00 0.00 C ATOM 1115 O ILE A 75 -0.549 -4.780 -1.164 1.00 0.00 O ATOM 1116 CB ILE A 75 2.339 -5.290 -1.595 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.491 -6.196 -2.090 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.860 -3.927 -1.089 1.00 0.00 C ATOM 1119 CD1 ILE A 75 3.256 -6.676 -3.521 1.00 0.00 C ATOM 0 H ILE A 75 0.971 -7.495 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 75 2.095 -5.921 0.390 1.00 0.00 H new ATOM 0 HB ILE A 75 1.712 -5.151 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.432 -5.648 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.587 -7.057 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.484 -3.468 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.016 -3.273 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.449 -4.076 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.086 -7.310 -3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.328 -7.246 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.186 -5.816 -4.187 1.00 0.00 H new ATOM 1131 N SER A 76 -0.135 -4.871 1.040 1.00 0.00 N ATOM 1132 CA SER A 76 -1.261 -4.052 1.467 1.00 0.00 C ATOM 1133 C SER A 76 -0.858 -2.592 1.463 1.00 0.00 C ATOM 1134 O SER A 76 0.241 -2.252 1.886 1.00 0.00 O ATOM 1135 CB SER A 76 -1.761 -4.451 2.877 1.00 0.00 C ATOM 1136 OG SER A 76 -1.162 -5.628 3.405 1.00 0.00 O ATOM 0 H SER A 76 0.404 -5.244 1.821 1.00 0.00 H new ATOM 0 HA SER A 76 -2.079 -4.216 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.573 -3.624 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.841 -4.594 2.838 1.00 0.00 H new ATOM 0 HG SER A 76 -1.529 -5.810 4.295 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.766 -1.709 1.060 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.573 -0.273 1.086 1.00 0.00 C ATOM 1144 C VAL A 77 -2.920 0.314 1.524 1.00 0.00 C ATOM 1145 O VAL A 77 -3.934 0.131 0.839 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.095 0.240 -0.291 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.789 1.755 -0.231 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.081 -0.590 -0.874 1.00 0.00 C ATOM 0 H VAL A 77 -2.679 -1.985 0.698 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.791 0.034 1.780 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.915 0.097 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.454 2.098 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.691 2.297 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.007 1.939 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.371 -0.180 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.930 -0.546 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.232 -1.627 -0.998 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.966 0.974 2.683 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.148 1.668 3.187 1.00 0.00 C ATOM 1160 C ILE A 78 -3.929 3.147 3.447 1.00 0.00 C ATOM 1161 O ILE A 78 -2.845 3.594 3.825 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.936 0.946 4.304 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.346 -0.398 4.773 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -6.439 0.985 3.957 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.053 -0.952 6.014 1.00 0.00 C ATOM 0 H ILE A 78 -2.164 1.041 3.309 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.833 1.618 2.340 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.818 1.497 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.419 -1.124 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.286 -0.269 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.006 0.478 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.769 2.021 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.606 0.483 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.597 -1.900 6.300 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.958 -0.241 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.108 -1.110 5.791 1.00 0.00 H new ATOM 1177 N THR A 79 -4.997 3.893 3.203 1.00 0.00 N ATOM 1178 CA THR A 79 -5.080 5.335 3.271 1.00 0.00 C ATOM 1179 C THR A 79 -5.856 5.707 4.525 1.00 0.00 C ATOM 1180 O THR A 79 -6.958 5.192 4.753 1.00 0.00 O ATOM 1181 CB THR A 79 -5.756 5.810 1.985 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.932 5.415 0.919 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.951 7.327 1.934 1.00 0.00 C ATOM 0 H THR A 79 -5.887 3.472 2.934 1.00 0.00 H new ATOM 0 HA THR A 79 -4.105 5.817 3.341 1.00 0.00 H new ATOM 0 HB THR A 79 -6.751 5.369 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.470 4.952 0.244 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.436 7.600 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.575 7.642 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.981 7.821 1.999 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.260 6.589 5.326 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.746 6.993 6.629 1.00 0.00 C ATOM 1193 C LEU A 80 -5.854 8.515 6.667 1.00 0.00 C ATOM 1194 O LEU A 80 -4.885 9.234 6.398 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.847 6.454 7.747 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.333 6.377 7.439 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.520 6.798 8.663 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.952 4.953 7.031 1.00 0.00 C ATOM 0 H LEU A 80 -4.391 7.056 5.067 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.735 6.567 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.984 7.081 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.193 5.454 8.011 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.111 7.057 6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.457 6.739 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.776 7.822 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.747 6.134 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.884 4.909 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.187 4.266 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.513 4.667 6.141 1.00 0.00 H new ATOM 1210 N ILE A 81 -7.055 9.007 6.977 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.388 10.425 7.042 1.00 0.00 C ATOM 1212 C ILE A 81 -7.783 10.797 8.477 1.00 0.00 C ATOM 1213 O ILE A 81 -7.685 9.958 9.372 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.428 10.823 5.957 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.892 10.506 6.341 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -8.103 10.177 4.593 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.921 11.296 5.517 1.00 0.00 C ATOM 0 H ILE A 81 -7.848 8.405 7.197 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.509 11.022 6.799 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.345 11.907 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.072 9.439 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.039 10.725 7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.852 10.478 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.118 10.504 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.110 9.092 4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.928 11.026 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.766 12.364 5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.800 11.059 4.460 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.238 12.044 8.669 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.917 12.547 9.866 1.00 0.00 C ATOM 1231 C ASN A 82 -9.795 11.467 10.495 1.00 0.00 C ATOM 1232 O ASN A 82 -10.906 11.247 10.013 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.793 13.754 9.485 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.753 14.086 10.623 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.328 14.416 11.728 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -12.049 13.955 10.403 1.00 0.00 N ATOM 0 H ASN A 82 -8.135 12.764 7.954 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.160 12.843 10.592 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.163 14.616 9.268 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.355 13.533 8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.714 14.129 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.384 13.680 9.480 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.269 10.803 11.530 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.828 9.629 12.186 1.00 0.00 C ATOM 1245 C GLY A 83 -10.739 8.845 11.255 1.00 0.00 C ATOM 1246 O GLY A 83 -11.945 8.808 11.500 1.00 0.00 O ATOM 0 H GLY A 83 -8.388 11.093 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.019 8.985 12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.388 9.937 13.069 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.199 8.339 10.153 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.987 7.736 9.103 1.00 0.00 C ATOM 1252 C GLY A 84 -10.093 6.817 8.293 1.00 0.00 C ATOM 1253 O GLY A 84 -8.912 7.110 8.078 1.00 0.00 O ATOM 0 H GLY A 84 -9.196 8.339 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.819 7.175 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.417 8.506 8.463 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.658 5.713 7.828 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.958 4.597 7.221 1.00 0.00 C ATOM 1259 C GLU A 85 -10.608 4.344 5.864 1.00 0.00 C ATOM 1260 O GLU A 85 -11.827 4.194 5.757 1.00 0.00 O ATOM 1261 CB GLU A 85 -10.019 3.368 8.147 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.838 3.325 9.129 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.822 2.051 9.991 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -8.397 0.970 9.511 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -9.218 2.121 11.176 1.00 0.00 O ATOM 0 H GLU A 85 -11.667 5.567 7.867 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.900 4.814 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.955 3.382 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.022 2.460 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.905 3.391 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.882 4.198 9.780 1.00 0.00 H new ATOM 1272 N SER A 86 -9.799 4.367 4.806 1.00 0.00 N ATOM 1273 CA SER A 86 -10.256 4.004 3.478 1.00 0.00 C ATOM 1274 C SER A 86 -10.161 2.496 3.306 1.00 0.00 C ATOM 1275 O SER A 86 -9.533 1.813 4.110 1.00 0.00 O ATOM 1276 CB SER A 86 -9.469 4.721 2.390 1.00 0.00 C ATOM 1277 OG SER A 86 -8.827 5.889 2.858 1.00 0.00 O ATOM 0 H SER A 86 -8.816 4.637 4.851 1.00 0.00 H new ATOM 0 HA SER A 86 -11.295 4.318 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.722 4.041 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.142 4.984 1.574 1.00 0.00 H new ATOM 0 HG SER A 86 -8.107 5.642 3.475 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.738 1.997 2.218 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.811 0.568 1.968 1.00 0.00 C ATOM 1285 C ALA A 87 -9.390 0.006 1.824 1.00 0.00 C ATOM 1286 O ALA A 87 -8.594 0.609 1.094 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.628 0.316 0.698 1.00 0.00 C ATOM 0 H ALA A 87 -11.165 2.571 1.491 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.302 0.065 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.684 -0.756 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.634 0.715 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.148 0.809 -0.147 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.061 -1.136 2.455 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.776 -1.788 2.271 1.00 0.00 C ATOM 1295 C PRO A 88 -7.637 -2.223 0.817 1.00 0.00 C ATOM 1296 O PRO A 88 -8.577 -2.740 0.206 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.739 -2.934 3.285 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.211 -3.277 3.493 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.898 -1.920 3.352 1.00 0.00 C ATOM 0 HA PRO A 88 -6.921 -1.137 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.178 -3.788 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.263 -2.629 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.569 -3.991 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.388 -3.720 4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.904 -2.032 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.997 -1.430 4.321 1.00 0.00 H new ATOM 1307 N THR A 89 -6.459 -1.981 0.256 1.00 0.00 N ATOM 1308 CA THR A 89 -6.159 -2.218 -1.135 1.00 0.00 C ATOM 1309 C THR A 89 -4.840 -2.984 -1.149 1.00 0.00 C ATOM 1310 O THR A 89 -3.768 -2.404 -0.978 1.00 0.00 O ATOM 1311 CB THR A 89 -6.153 -0.871 -1.874 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.418 -0.239 -1.732 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.879 -0.998 -3.366 1.00 0.00 C ATOM 0 H THR A 89 -5.668 -1.604 0.778 1.00 0.00 H new ATOM 0 HA THR A 89 -6.897 -2.820 -1.665 1.00 0.00 H new ATOM 0 HB THR A 89 -5.348 -0.290 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.537 0.051 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.890 -0.009 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.903 -1.458 -3.519 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.648 -1.618 -3.826 1.00 0.00 H new ATOM 1321 N THR A 90 -4.931 -4.304 -1.274 1.00 0.00 N ATOM 1322 CA THR A 90 -3.796 -5.201 -1.414 1.00 0.00 C ATOM 1323 C THR A 90 -3.744 -5.668 -2.862 1.00 0.00 C ATOM 1324 O THR A 90 -4.791 -5.857 -3.500 1.00 0.00 O ATOM 1325 CB THR A 90 -3.954 -6.376 -0.434 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.087 -5.877 0.886 1.00 0.00 O ATOM 1327 CG2 THR A 90 -2.792 -7.372 -0.458 1.00 0.00 C ATOM 0 H THR A 90 -5.827 -4.792 -1.281 1.00 0.00 H new ATOM 0 HA THR A 90 -2.858 -4.700 -1.174 1.00 0.00 H new ATOM 0 HB THR A 90 -4.844 -6.915 -0.757 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.189 -6.626 1.510 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.981 -8.169 0.261 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.699 -7.799 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.867 -6.858 -0.195 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.540 -5.895 -3.380 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.319 -6.527 -4.673 1.00 0.00 C ATOM 1337 C LEU A 91 -1.197 -7.546 -4.466 1.00 0.00 C ATOM 1338 O LEU A 91 -0.067 -7.134 -4.231 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.001 -5.457 -5.729 1.00 0.00 C ATOM 1340 CG LEU A 91 -2.642 -5.742 -7.095 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.359 -4.553 -8.018 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -2.128 -7.038 -7.722 1.00 0.00 C ATOM 0 H LEU A 91 -1.676 -5.639 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.201 -7.046 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.346 -4.488 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.920 -5.386 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.715 -5.873 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.807 -4.736 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.787 -3.648 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.282 -4.428 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.612 -7.193 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.049 -6.970 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.355 -7.876 -7.063 1.00 0.00 H new ATOM 1354 N THR A 92 -1.516 -8.843 -4.412 1.00 0.00 N ATOM 1355 CA THR A 92 -0.506 -9.877 -4.184 1.00 0.00 C ATOM 1356 C THR A 92 0.312 -10.077 -5.472 1.00 0.00 C ATOM 1357 O THR A 92 -0.272 -10.272 -6.545 1.00 0.00 O ATOM 1358 CB THR A 92 -1.156 -11.138 -3.578 1.00 0.00 C ATOM 1359 OG1 THR A 92 -0.180 -11.908 -2.917 1.00 0.00 O ATOM 1360 CG2 THR A 92 -1.938 -12.020 -4.556 1.00 0.00 C ATOM 0 H THR A 92 -2.465 -9.200 -4.523 1.00 0.00 H new ATOM 0 HA THR A 92 0.222 -9.575 -3.431 1.00 0.00 H new ATOM 0 HB THR A 92 -1.904 -10.760 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.469 -12.083 -1.997 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.351 -12.876 -4.023 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.749 -11.442 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.271 -12.370 -5.344 1.00 0.00 H new ATOM 1368 N GLN A 93 1.613 -9.772 -5.444 1.00 0.00 N ATOM 1369 CA GLN A 93 2.565 -10.010 -6.534 1.00 0.00 C ATOM 1370 C GLN A 93 3.576 -11.138 -6.233 1.00 0.00 C ATOM 1371 O GLN A 93 4.209 -11.115 -5.169 1.00 0.00 O ATOM 1372 CB GLN A 93 3.188 -8.656 -6.898 1.00 0.00 C ATOM 1373 CG GLN A 93 4.174 -8.692 -8.068 1.00 0.00 C ATOM 1374 CD GLN A 93 3.519 -9.099 -9.385 1.00 0.00 C ATOM 1375 OE1 GLN A 93 2.645 -8.405 -9.900 1.00 0.00 O ATOM 1376 NE2 GLN A 93 3.929 -10.209 -9.975 1.00 0.00 N ATOM 0 H GLN A 93 2.049 -9.336 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 93 2.050 -10.403 -7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.387 -7.957 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.702 -8.262 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.629 -7.708 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.978 -9.390 -7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.655 -10.779 -9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.519 -10.495 -10.864 1.00 0.00 H new ATOM 1385 N GLN A 94 3.864 -12.017 -7.208 1.00 0.00 N ATOM 1386 CA GLN A 94 4.901 -13.059 -7.120 1.00 0.00 C ATOM 1387 C GLN A 94 6.056 -12.788 -8.107 1.00 0.00 C ATOM 1388 O GLN A 94 5.853 -12.083 -9.103 1.00 0.00 O ATOM 1389 CB GLN A 94 4.282 -14.434 -7.443 1.00 0.00 C ATOM 1390 CG GLN A 94 4.961 -15.597 -6.694 1.00 0.00 C ATOM 1391 CD GLN A 94 5.138 -16.841 -7.561 1.00 0.00 C ATOM 1392 OE1 GLN A 94 4.168 -17.476 -7.979 1.00 0.00 O ATOM 1393 NE2 GLN A 94 6.367 -17.224 -7.843 1.00 0.00 N ATOM 0 H GLN A 94 3.370 -12.023 -8.100 1.00 0.00 H new ATOM 0 HA GLN A 94 5.300 -13.050 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.222 -14.417 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.350 -14.613 -8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.936 -15.270 -6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.367 -15.853 -5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.161 -16.690 -7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.524 -18.055 -8.413 1.00 0.00 H new ATOM 1402 N THR A 95 7.205 -13.444 -7.895 1.00 0.00 N ATOM 1403 CA THR A 95 8.317 -13.688 -8.820 1.00 0.00 C ATOM 1404 C THR A 95 8.850 -15.089 -8.490 1.00 0.00 C ATOM 1405 O THR A 95 9.545 -15.725 -9.312 1.00 0.00 O ATOM 1406 CB THR A 95 9.413 -12.625 -8.627 1.00 0.00 C ATOM 1407 OG1 THR A 95 8.863 -11.325 -8.712 1.00 0.00 O ATOM 1408 CG2 THR A 95 10.575 -12.737 -9.617 1.00 0.00 C ATOM 1409 OXT THR A 95 8.525 -15.568 -7.376 1.00 0.00 O ATOM 0 H THR A 95 7.396 -13.857 -6.982 1.00 0.00 H new ATOM 0 HA THR A 95 7.994 -13.628 -9.859 1.00 0.00 H new ATOM 0 HB THR A 95 9.821 -12.811 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.572 -10.661 -8.586 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.303 -11.952 -9.413 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.052 -13.711 -9.510 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.198 -12.627 -10.634 1.00 0.00 H new TER 1417 THR A 95