USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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 48 HIS : no HD1:sc= -13.8! C(o=-14!,f=-13!) USER MOD Set 1.2: A 50 HIS : no HD1:sc= -0.0143 X(o=-14,f=-13) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 140:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -64:sc= -0.986 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.597 F(o=-2.3!,f=-0.6) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0161) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 36 ASN : amide:sc= -0.435 K(o=-0.43,f=-2!) USER MOD Single : A 37 GLN : amide:sc= -1.7! X(o=-1.7!,f=-1.9) USER MOD Single : A 41 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.0078) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.0946 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 1:sc= 1.06 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.228 -2.788 17.917 1.00 0.00 N ATOM 2 CA GLY A 1 17.981 -4.122 17.402 1.00 0.00 C ATOM 3 C GLY A 1 16.566 -4.289 16.882 1.00 0.00 C ATOM 4 O GLY A 1 15.675 -4.715 17.616 1.00 0.00 O ATOM 0 H1 GLY A 1 19.208 -2.724 18.260 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.080 -2.091 17.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.573 -2.592 18.701 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.687 -4.335 16.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.164 -4.852 18.190 1.00 0.00 H new ATOM 8 N SER A 2 16.360 -3.953 15.613 1.00 0.00 N ATOM 9 CA SER A 2 15.043 -4.063 14.997 1.00 0.00 C ATOM 10 C SER A 2 15.140 -4.715 13.621 1.00 0.00 C ATOM 11 O SER A 2 16.143 -4.571 12.923 1.00 0.00 O ATOM 12 CB SER A 2 14.396 -2.682 14.876 1.00 0.00 C ATOM 13 OG SER A 2 14.233 -2.082 16.149 1.00 0.00 O ATOM 0 H SER A 2 17.088 -3.602 14.991 1.00 0.00 H new ATOM 0 HA SER A 2 14.422 -4.692 15.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.013 -2.042 14.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.426 -2.773 14.386 1.00 0.00 H new ATOM 0 HG SER A 2 13.819 -1.200 16.044 1.00 0.00 H new ATOM 19 N SER A 3 14.088 -5.432 13.238 1.00 0.00 N ATOM 20 CA SER A 3 14.055 -6.109 11.947 1.00 0.00 C ATOM 21 C SER A 3 12.618 -6.293 11.467 1.00 0.00 C ATOM 22 O SER A 3 11.729 -6.628 12.248 1.00 0.00 O ATOM 23 CB SER A 3 14.750 -7.469 12.042 1.00 0.00 C ATOM 24 OG SER A 3 15.126 -7.940 10.760 1.00 0.00 O ATOM 0 H SER A 3 13.248 -5.559 13.803 1.00 0.00 H new ATOM 0 HA SER A 3 14.585 -5.488 11.225 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.633 -7.386 12.676 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.083 -8.189 12.516 1.00 0.00 H new ATOM 0 HG SER A 3 15.569 -8.809 10.848 1.00 0.00 H new ATOM 30 N GLY A 4 12.400 -6.069 10.174 1.00 0.00 N ATOM 31 CA GLY A 4 11.070 -6.214 9.611 1.00 0.00 C ATOM 32 C GLY A 4 10.731 -5.107 8.633 1.00 0.00 C ATOM 33 O GLY A 4 11.100 -5.171 7.460 1.00 0.00 O ATOM 0 H GLY A 4 13.120 -5.790 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.996 -7.177 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.336 -6.220 10.417 1.00 0.00 H new ATOM 37 N SER A 5 10.025 -4.090 9.115 1.00 0.00 N ATOM 38 CA SER A 5 9.630 -2.966 8.273 1.00 0.00 C ATOM 39 C SER A 5 10.198 -1.657 8.815 1.00 0.00 C ATOM 40 O SER A 5 10.072 -1.357 10.002 1.00 0.00 O ATOM 41 CB SER A 5 8.106 -2.877 8.186 1.00 0.00 C ATOM 42 OG SER A 5 7.578 -3.929 7.397 1.00 0.00 O ATOM 0 H SER A 5 9.714 -4.021 10.084 1.00 0.00 H new ATOM 0 HA SER A 5 10.034 -3.132 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.678 -2.920 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.819 -1.917 7.757 1.00 0.00 H new ATOM 0 HG SER A 5 6.755 -4.266 7.809 1.00 0.00 H new ATOM 48 N SER A 6 10.822 -0.881 7.934 1.00 0.00 N ATOM 49 CA SER A 6 11.413 0.394 8.323 1.00 0.00 C ATOM 50 C SER A 6 10.611 1.560 7.752 1.00 0.00 C ATOM 51 O SER A 6 10.594 1.783 6.543 1.00 0.00 O ATOM 52 CB SER A 6 12.864 0.475 7.845 1.00 0.00 C ATOM 53 OG SER A 6 13.543 1.557 8.459 1.00 0.00 O ATOM 0 H SER A 6 10.931 -1.113 6.947 1.00 0.00 H new ATOM 0 HA SER A 6 11.393 0.459 9.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.378 -0.458 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.887 0.594 6.762 1.00 0.00 H new ATOM 0 HG SER A 6 14.469 1.586 8.139 1.00 0.00 H new ATOM 59 N GLY A 7 9.948 2.302 8.634 1.00 0.00 N ATOM 60 CA GLY A 7 9.153 3.436 8.200 1.00 0.00 C ATOM 61 C GLY A 7 7.674 3.114 8.130 1.00 0.00 C ATOM 62 O GLY A 7 7.193 2.163 8.747 1.00 0.00 O ATOM 0 H GLY A 7 9.947 2.138 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.308 4.269 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.497 3.763 7.219 1.00 0.00 H new ATOM 66 N PRO A 8 6.924 3.921 7.364 1.00 0.00 N ATOM 67 CA PRO A 8 5.480 3.738 7.198 1.00 0.00 C ATOM 68 C PRO A 8 5.143 2.492 6.386 1.00 0.00 C ATOM 69 O PRO A 8 5.651 2.304 5.280 1.00 0.00 O ATOM 70 CB PRO A 8 5.046 4.999 6.447 1.00 0.00 C ATOM 71 CG PRO A 8 6.268 5.447 5.722 1.00 0.00 C ATOM 72 CD PRO A 8 7.430 5.074 6.600 1.00 0.00 C ATOM 0 HA PRO A 8 4.975 3.600 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.231 4.787 5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.690 5.766 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.343 4.963 4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.243 6.522 5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.310 4.812 6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.718 5.896 7.256 1.00 0.00 H new ATOM 80 N CYS A 9 4.284 1.644 6.942 1.00 0.00 N ATOM 81 CA CYS A 9 3.879 0.415 6.269 1.00 0.00 C ATOM 82 C CYS A 9 2.387 0.160 6.452 1.00 0.00 C ATOM 83 O CYS A 9 1.734 0.804 7.274 1.00 0.00 O ATOM 84 CB CYS A 9 4.681 -0.772 6.805 1.00 0.00 C ATOM 85 SG CYS A 9 4.310 -1.198 8.522 1.00 0.00 S ATOM 0 H CYS A 9 3.855 1.785 7.857 1.00 0.00 H new ATOM 0 HA CYS A 9 4.081 0.530 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.487 -1.641 6.176 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.744 -0.547 6.719 1.00 0.00 H new ATOM 0 HG CYS A 9 5.036 -2.214 8.883 1.00 0.00 H new ATOM 91 N CYS A 10 1.853 -0.780 5.680 1.00 0.00 N ATOM 92 CA CYS A 10 0.436 -1.118 5.756 1.00 0.00 C ATOM 93 C CYS A 10 0.242 -2.628 5.854 1.00 0.00 C ATOM 94 O CYS A 10 1.177 -3.399 5.640 1.00 0.00 O ATOM 95 CB CYS A 10 -0.304 -0.575 4.533 1.00 0.00 C ATOM 96 SG CYS A 10 0.009 -1.497 3.010 1.00 0.00 S ATOM 0 H CYS A 10 2.380 -1.321 4.995 1.00 0.00 H new ATOM 0 HA CYS A 10 0.025 -0.658 6.655 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.375 -0.584 4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.017 0.465 4.381 1.00 0.00 H new ATOM 0 HG CYS A 10 1.263 -1.386 2.686 1.00 0.00 H new ATOM 102 N ARG A 11 -0.978 -3.042 6.180 1.00 0.00 N ATOM 103 CA ARG A 11 -1.295 -4.459 6.310 1.00 0.00 C ATOM 104 C ARG A 11 -2.369 -4.870 5.307 1.00 0.00 C ATOM 105 O ARG A 11 -3.350 -4.154 5.105 1.00 0.00 O ATOM 106 CB ARG A 11 -1.763 -4.771 7.732 1.00 0.00 C ATOM 107 CG ARG A 11 -1.920 -6.257 8.010 1.00 0.00 C ATOM 108 CD ARG A 11 -0.631 -6.864 8.539 1.00 0.00 C ATOM 109 NE ARG A 11 -0.878 -8.058 9.343 1.00 0.00 N ATOM 110 CZ ARG A 11 0.038 -8.622 10.123 1.00 0.00 C ATOM 111 NH1 ARG A 11 1.255 -8.102 10.203 1.00 0.00 N ATOM 112 NH2 ARG A 11 -0.263 -9.707 10.824 1.00 0.00 N ATOM 0 H ARG A 11 -1.763 -2.416 6.359 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.390 -5.029 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.049 -4.351 8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.717 -4.274 7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.720 -6.410 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.216 -6.770 7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.020 -7.118 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.102 -6.125 9.141 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.805 -8.482 9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.489 -7.268 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.957 -8.536 10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.198 -10.109 10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.441 -10.139 11.422 1.00 0.00 H new ATOM 126 N ALA A 12 -2.177 -6.027 4.682 1.00 0.00 N ATOM 127 CA ALA A 12 -3.130 -6.534 3.703 1.00 0.00 C ATOM 128 C ALA A 12 -4.120 -7.497 4.348 1.00 0.00 C ATOM 129 O ALA A 12 -3.727 -8.435 5.043 1.00 0.00 O ATOM 130 CB ALA A 12 -2.397 -7.216 2.557 1.00 0.00 C ATOM 0 H ALA A 12 -1.370 -6.631 4.837 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.692 -5.688 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.121 -7.590 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.735 -6.499 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.809 -8.048 2.945 1.00 0.00 H new ATOM 136 N LEU A 13 -5.406 -7.261 4.114 1.00 0.00 N ATOM 137 CA LEU A 13 -6.454 -8.109 4.673 1.00 0.00 C ATOM 138 C LEU A 13 -6.802 -9.246 3.718 1.00 0.00 C ATOM 139 O LEU A 13 -7.216 -10.324 4.145 1.00 0.00 O ATOM 140 CB LEU A 13 -7.703 -7.278 4.972 1.00 0.00 C ATOM 141 CG LEU A 13 -7.474 -5.969 5.727 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.526 -4.940 5.343 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.486 -6.210 7.229 1.00 0.00 C ATOM 0 H LEU A 13 -5.749 -6.490 3.541 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.081 -8.541 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.196 -7.048 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.393 -7.892 5.551 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.495 -5.579 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.347 -4.015 5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.470 -4.745 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.516 -5.322 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.321 -5.267 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.450 -6.624 7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.695 -6.912 7.491 1.00 0.00 H new ATOM 155 N TYR A 14 -6.629 -8.999 2.424 1.00 0.00 N ATOM 156 CA TYR A 14 -6.924 -10.002 1.408 1.00 0.00 C ATOM 157 C TYR A 14 -5.913 -9.938 0.268 1.00 0.00 C ATOM 158 O TYR A 14 -4.975 -9.141 0.300 1.00 0.00 O ATOM 159 CB TYR A 14 -8.339 -9.803 0.862 1.00 0.00 C ATOM 160 CG TYR A 14 -9.419 -9.940 1.911 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.677 -11.165 2.515 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.180 -8.845 2.300 1.00 0.00 C ATOM 163 CE1 TYR A 14 -10.663 -11.295 3.474 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.167 -8.965 3.259 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.405 -10.192 3.842 1.00 0.00 C ATOM 166 OH TYR A 14 -12.387 -10.317 4.798 1.00 0.00 O ATOM 0 H TYR A 14 -6.286 -8.113 2.054 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.856 -10.985 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.408 -8.814 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.519 -10.530 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.097 -12.030 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.997 -7.883 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.852 -12.254 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.749 -8.103 3.550 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.815 -9.447 4.943 1.00 0.00 H new ATOM 176 N ASP A 15 -6.111 -10.782 -0.738 1.00 0.00 N ATOM 177 CA ASP A 15 -5.218 -10.822 -1.890 1.00 0.00 C ATOM 178 C ASP A 15 -5.849 -10.123 -3.091 1.00 0.00 C ATOM 179 O ASP A 15 -7.072 -10.064 -3.215 1.00 0.00 O ATOM 180 CB ASP A 15 -4.876 -12.269 -2.249 1.00 0.00 C ATOM 181 CG ASP A 15 -6.069 -13.195 -2.114 1.00 0.00 C ATOM 182 OD1 ASP A 15 -6.809 -13.357 -3.107 1.00 0.00 O ATOM 183 OD2 ASP A 15 -6.263 -13.758 -1.016 1.00 0.00 O ATOM 0 H ASP A 15 -6.882 -11.448 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.301 -10.296 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.503 -12.308 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.072 -12.620 -1.603 1.00 0.00 H new ATOM 188 N PHE A 16 -5.005 -9.593 -3.971 1.00 0.00 N ATOM 189 CA PHE A 16 -5.480 -8.896 -5.160 1.00 0.00 C ATOM 190 C PHE A 16 -4.572 -9.177 -6.354 1.00 0.00 C ATOM 191 O PHE A 16 -3.390 -9.477 -6.190 1.00 0.00 O ATOM 192 CB PHE A 16 -5.549 -7.390 -4.901 1.00 0.00 C ATOM 193 CG PHE A 16 -5.760 -6.576 -6.146 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.945 -6.671 -6.858 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.775 -5.716 -6.603 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.141 -5.924 -8.005 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.966 -4.967 -7.749 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.151 -5.070 -8.450 1.00 0.00 C ATOM 0 H PHE A 16 -3.990 -9.633 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.480 -9.264 -5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.360 -7.187 -4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.625 -7.070 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.724 -7.335 -6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.847 -5.630 -6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.068 -6.008 -8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.189 -4.302 -8.096 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.303 -4.484 -9.344 1.00 0.00 H new ATOM 208 N GLU A 17 -5.135 -9.078 -7.554 1.00 0.00 N ATOM 209 CA GLU A 17 -4.377 -9.324 -8.776 1.00 0.00 C ATOM 210 C GLU A 17 -4.308 -8.064 -9.635 1.00 0.00 C ATOM 211 O GLU A 17 -5.259 -7.287 -9.720 1.00 0.00 O ATOM 212 CB GLU A 17 -5.009 -10.465 -9.574 1.00 0.00 C ATOM 213 CG GLU A 17 -4.633 -11.846 -9.065 1.00 0.00 C ATOM 214 CD GLU A 17 -3.248 -12.275 -9.511 1.00 0.00 C ATOM 215 OE1 GLU A 17 -2.264 -11.883 -8.849 1.00 0.00 O ATOM 216 OE2 GLU A 17 -3.148 -13.002 -10.521 1.00 0.00 O ATOM 0 H GLU A 17 -6.112 -8.829 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.363 -9.607 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.094 -10.360 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.708 -10.377 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.678 -11.853 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.366 -12.571 -9.419 1.00 0.00 H new ATOM 223 N PRO A 18 -3.155 -7.857 -10.288 1.00 0.00 N ATOM 224 CA PRO A 18 -2.933 -6.694 -11.152 1.00 0.00 C ATOM 225 C PRO A 18 -3.760 -6.757 -12.432 1.00 0.00 C ATOM 226 O PRO A 18 -3.765 -7.771 -13.128 1.00 0.00 O ATOM 227 CB PRO A 18 -1.439 -6.773 -11.477 1.00 0.00 C ATOM 228 CG PRO A 18 -1.095 -8.216 -11.330 1.00 0.00 C ATOM 229 CD PRO A 18 -1.979 -8.742 -10.233 1.00 0.00 C ATOM 0 HA PRO A 18 -3.229 -5.764 -10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.234 -6.418 -12.487 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.853 -6.155 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.266 -8.755 -12.262 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.042 -8.343 -11.078 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.252 -9.784 -10.402 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.486 -8.695 -9.262 1.00 0.00 H new ATOM 237 N GLU A 19 -4.456 -5.666 -12.735 1.00 0.00 N ATOM 238 CA GLU A 19 -5.287 -5.598 -13.931 1.00 0.00 C ATOM 239 C GLU A 19 -4.496 -5.041 -15.112 1.00 0.00 C ATOM 240 O GLU A 19 -4.648 -5.497 -16.244 1.00 0.00 O ATOM 241 CB GLU A 19 -6.521 -4.730 -13.675 1.00 0.00 C ATOM 242 CG GLU A 19 -7.601 -4.880 -14.732 1.00 0.00 C ATOM 243 CD GLU A 19 -8.962 -4.422 -14.245 1.00 0.00 C ATOM 244 OE1 GLU A 19 -9.177 -3.196 -14.148 1.00 0.00 O ATOM 245 OE2 GLU A 19 -9.812 -5.292 -13.961 1.00 0.00 O ATOM 0 H GLU A 19 -4.461 -4.817 -12.169 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.609 -6.610 -14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.939 -4.986 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.216 -3.685 -13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.323 -4.304 -15.615 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.662 -5.924 -15.039 1.00 0.00 H new ATOM 252 N ASN A 20 -3.652 -4.052 -14.837 1.00 0.00 N ATOM 253 CA ASN A 20 -2.838 -3.431 -15.876 1.00 0.00 C ATOM 254 C ASN A 20 -1.415 -3.191 -15.381 1.00 0.00 C ATOM 255 O ASN A 20 -1.094 -3.470 -14.227 1.00 0.00 O ATOM 256 CB ASN A 20 -3.465 -2.108 -16.322 1.00 0.00 C ATOM 257 CG ASN A 20 -4.210 -1.414 -15.198 1.00 0.00 C ATOM 258 OD1 ASN A 20 -3.468 -0.912 -14.218 1.00 0.00 O flip ATOM 259 ND2 ASN A 20 -5.438 -1.330 -15.212 1.00 0.00 N flip ATOM 0 H ASN A 20 -3.514 -3.663 -13.904 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.798 -4.111 -16.727 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.684 -1.448 -16.699 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.151 -2.294 -17.148 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.968 -1.731 -15.986 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.926 -0.860 -14.450 1.00 0.00 H new ATOM 266 N GLU A 21 -0.567 -2.672 -16.264 1.00 0.00 N ATOM 267 CA GLU A 21 0.821 -2.395 -15.916 1.00 0.00 C ATOM 268 C GLU A 21 0.905 -1.485 -14.694 1.00 0.00 C ATOM 269 O GLU A 21 1.867 -1.542 -13.929 1.00 0.00 O ATOM 270 CB GLU A 21 1.547 -1.749 -17.098 1.00 0.00 C ATOM 271 CG GLU A 21 1.525 -2.593 -18.361 1.00 0.00 C ATOM 272 CD GLU A 21 2.453 -2.060 -19.436 1.00 0.00 C ATOM 273 OE1 GLU A 21 3.618 -1.748 -19.113 1.00 0.00 O ATOM 274 OE2 GLU A 21 2.013 -1.954 -20.600 1.00 0.00 O ATOM 0 H GLU A 21 -0.817 -2.435 -17.224 1.00 0.00 H new ATOM 0 HA GLU A 21 1.304 -3.342 -15.676 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.090 -0.782 -17.309 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.583 -1.558 -16.817 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.810 -3.616 -18.115 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.508 -2.631 -18.751 1.00 0.00 H new ATOM 281 N GLY A 22 -0.110 -0.644 -14.519 1.00 0.00 N ATOM 282 CA GLY A 22 -0.132 0.267 -13.389 1.00 0.00 C ATOM 283 C GLY A 22 -0.845 -0.318 -12.187 1.00 0.00 C ATOM 284 O GLY A 22 -1.655 0.355 -11.551 1.00 0.00 O ATOM 0 H GLY A 22 -0.917 -0.577 -15.139 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.891 0.522 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.623 1.194 -13.683 1.00 0.00 H new ATOM 288 N GLU A 23 -0.543 -1.575 -11.875 1.00 0.00 N ATOM 289 CA GLU A 23 -1.164 -2.250 -10.742 1.00 0.00 C ATOM 290 C GLU A 23 -0.146 -3.105 -9.993 1.00 0.00 C ATOM 291 O GLU A 23 0.747 -3.700 -10.598 1.00 0.00 O ATOM 292 CB GLU A 23 -2.329 -3.122 -11.215 1.00 0.00 C ATOM 293 CG GLU A 23 -3.584 -2.333 -11.549 1.00 0.00 C ATOM 294 CD GLU A 23 -4.487 -2.136 -10.347 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.037 -2.415 -9.216 1.00 0.00 O ATOM 296 OE2 GLU A 23 -5.642 -1.703 -10.538 1.00 0.00 O ATOM 0 H GLU A 23 0.127 -2.145 -12.391 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.543 -1.488 -10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.017 -3.683 -12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.564 -3.851 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.301 -1.360 -11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.137 -2.851 -12.333 1.00 0.00 H new ATOM 303 N LEU A 24 -0.285 -3.160 -8.673 1.00 0.00 N ATOM 304 CA LEU A 24 0.622 -3.942 -7.840 1.00 0.00 C ATOM 305 C LEU A 24 -0.138 -5.009 -7.059 1.00 0.00 C ATOM 306 O LEU A 24 -0.781 -4.715 -6.052 1.00 0.00 O ATOM 307 CB LEU A 24 1.375 -3.025 -6.874 1.00 0.00 C ATOM 308 CG LEU A 24 2.484 -3.683 -6.052 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.707 -3.946 -6.918 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.851 -2.813 -4.858 1.00 0.00 C ATOM 0 H LEU A 24 -1.017 -2.672 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 24 1.339 -4.439 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.811 -2.207 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.654 -2.584 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 24 2.115 -4.639 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.485 -4.414 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.435 -4.609 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.078 -3.003 -7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.642 -3.297 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.200 -1.842 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.975 -2.676 -4.224 1.00 0.00 H new ATOM 322 N GLY A 25 -0.057 -6.250 -7.529 1.00 0.00 N ATOM 323 CA GLY A 25 -0.740 -7.342 -6.861 1.00 0.00 C ATOM 324 C GLY A 25 -0.120 -7.680 -5.520 1.00 0.00 C ATOM 325 O GLY A 25 1.095 -7.853 -5.415 1.00 0.00 O ATOM 0 H GLY A 25 0.469 -6.518 -8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.788 -7.077 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.719 -8.225 -7.500 1.00 0.00 H new ATOM 329 N PHE A 26 -0.955 -7.774 -4.491 1.00 0.00 N ATOM 330 CA PHE A 26 -0.481 -8.090 -3.148 1.00 0.00 C ATOM 331 C PHE A 26 -1.093 -9.396 -2.650 1.00 0.00 C ATOM 332 O PHE A 26 -2.043 -9.915 -3.237 1.00 0.00 O ATOM 333 CB PHE A 26 -0.822 -6.953 -2.183 1.00 0.00 C ATOM 334 CG PHE A 26 -2.269 -6.554 -2.214 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.254 -7.435 -1.798 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.645 -5.297 -2.659 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.587 -7.071 -1.825 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.977 -4.927 -2.688 1.00 0.00 C ATOM 339 CZ PHE A 26 -4.949 -5.815 -2.271 1.00 0.00 C ATOM 0 H PHE A 26 -1.963 -7.636 -4.561 1.00 0.00 H new ATOM 0 HA PHE A 26 0.602 -8.209 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.559 -7.256 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.209 -6.085 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.977 -8.418 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.889 -4.598 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.345 -7.768 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.257 -3.944 -3.037 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.990 -5.528 -2.294 1.00 0.00 H new ATOM 349 N LYS A 27 -0.541 -9.924 -1.563 1.00 0.00 N ATOM 350 CA LYS A 27 -1.031 -11.169 -0.983 1.00 0.00 C ATOM 351 C LYS A 27 -1.668 -10.921 0.381 1.00 0.00 C ATOM 352 O LYS A 27 -1.504 -9.851 0.967 1.00 0.00 O ATOM 353 CB LYS A 27 0.113 -12.177 -0.847 1.00 0.00 C ATOM 354 CG LYS A 27 0.338 -13.013 -2.095 1.00 0.00 C ATOM 355 CD LYS A 27 1.196 -12.278 -3.111 1.00 0.00 C ATOM 356 CE LYS A 27 1.260 -13.028 -4.432 1.00 0.00 C ATOM 357 NZ LYS A 27 0.002 -12.882 -5.215 1.00 0.00 N ATOM 0 H LYS A 27 0.247 -9.509 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.790 -11.577 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.032 -11.641 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.096 -12.841 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.819 -13.952 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.623 -13.265 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.791 -11.280 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.203 -12.151 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.099 -12.656 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.448 -14.084 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.116 -13.336 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.781 -13.335 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.210 -11.872 -5.347 1.00 0.00 H new ATOM 371 N GLU A 28 -2.395 -11.916 0.879 1.00 0.00 N ATOM 372 CA GLU A 28 -3.056 -11.804 2.174 1.00 0.00 C ATOM 373 C GLU A 28 -2.036 -11.818 3.309 1.00 0.00 C ATOM 374 O GLU A 28 -1.095 -12.611 3.303 1.00 0.00 O ATOM 375 CB GLU A 28 -4.059 -12.944 2.361 1.00 0.00 C ATOM 376 CG GLU A 28 -4.813 -12.883 3.678 1.00 0.00 C ATOM 377 CD GLU A 28 -5.400 -14.222 4.078 1.00 0.00 C ATOM 378 OE1 GLU A 28 -6.522 -14.537 3.629 1.00 0.00 O ATOM 379 OE2 GLU A 28 -4.737 -14.957 4.840 1.00 0.00 O ATOM 0 H GLU A 28 -2.541 -12.808 0.406 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.589 -10.854 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.776 -12.923 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.530 -13.895 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.139 -12.537 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.614 -12.148 3.600 1.00 0.00 H new ATOM 386 N GLY A 29 -2.229 -10.934 4.283 1.00 0.00 N ATOM 387 CA GLY A 29 -1.319 -10.860 5.410 1.00 0.00 C ATOM 388 C GLY A 29 0.063 -10.385 5.009 1.00 0.00 C ATOM 389 O GLY A 29 1.053 -10.705 5.668 1.00 0.00 O ATOM 0 H GLY A 29 -3.000 -10.267 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.729 -10.184 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.241 -11.843 5.875 1.00 0.00 H new ATOM 393 N ASP A 30 0.133 -9.620 3.925 1.00 0.00 N ATOM 394 CA ASP A 30 1.404 -9.100 3.436 1.00 0.00 C ATOM 395 C ASP A 30 1.552 -7.619 3.775 1.00 0.00 C ATOM 396 O ASP A 30 0.561 -6.901 3.907 1.00 0.00 O ATOM 397 CB ASP A 30 1.516 -9.303 1.925 1.00 0.00 C ATOM 398 CG ASP A 30 1.833 -10.739 1.556 1.00 0.00 C ATOM 399 OD1 ASP A 30 0.980 -11.618 1.801 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.935 -10.984 1.022 1.00 0.00 O ATOM 0 H ASP A 30 -0.676 -9.346 3.368 1.00 0.00 H new ATOM 0 HA ASP A 30 2.206 -9.650 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.580 -9.007 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.294 -8.649 1.530 1.00 0.00 H new ATOM 405 N ILE A 31 2.795 -7.171 3.914 1.00 0.00 N ATOM 406 CA ILE A 31 3.071 -5.777 4.237 1.00 0.00 C ATOM 407 C ILE A 31 3.643 -5.036 3.033 1.00 0.00 C ATOM 408 O ILE A 31 4.741 -5.343 2.568 1.00 0.00 O ATOM 409 CB ILE A 31 4.057 -5.656 5.415 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.619 -6.560 6.569 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.157 -4.210 5.876 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.514 -5.967 7.416 1.00 0.00 C ATOM 0 H ILE A 31 3.626 -7.753 3.808 1.00 0.00 H new ATOM 0 HA ILE A 31 2.120 -5.325 4.521 1.00 0.00 H new ATOM 0 HB ILE A 31 5.043 -5.978 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.283 -7.515 6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.480 -6.768 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.857 -4.141 6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.510 -3.589 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.175 -3.862 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.255 -6.662 8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.853 -5.026 7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.637 -5.785 6.795 1.00 0.00 H new ATOM 424 N ILE A 32 2.893 -4.060 2.535 1.00 0.00 N ATOM 425 CA ILE A 32 3.326 -3.274 1.386 1.00 0.00 C ATOM 426 C ILE A 32 3.968 -1.963 1.828 1.00 0.00 C ATOM 427 O ILE A 32 3.312 -1.106 2.422 1.00 0.00 O ATOM 428 CB ILE A 32 2.152 -2.964 0.440 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.536 -4.262 -0.087 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.617 -2.086 -0.712 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.464 -4.832 0.815 1.00 0.00 C ATOM 0 H ILE A 32 1.982 -3.794 2.909 1.00 0.00 H new ATOM 0 HA ILE A 32 4.062 -3.875 0.852 1.00 0.00 H new ATOM 0 HB ILE A 32 1.389 -2.422 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.110 -4.078 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.325 -5.004 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.775 -1.876 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.013 -1.150 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.397 -2.603 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.072 -5.751 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.890 -5.048 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.344 -4.108 0.922 1.00 0.00 H new ATOM 443 N THR A 33 5.256 -1.812 1.533 1.00 0.00 N ATOM 444 CA THR A 33 5.987 -0.605 1.899 1.00 0.00 C ATOM 445 C THR A 33 5.289 0.643 1.370 1.00 0.00 C ATOM 446 O THR A 33 4.526 0.578 0.405 1.00 0.00 O ATOM 447 CB THR A 33 7.430 -0.638 1.363 1.00 0.00 C ATOM 448 OG1 THR A 33 8.166 -1.687 2.002 1.00 0.00 O ATOM 449 CG2 THR A 33 8.126 0.693 1.599 1.00 0.00 C ATOM 0 H THR A 33 5.814 -2.510 1.042 1.00 0.00 H new ATOM 0 HA THR A 33 6.012 -0.569 2.988 1.00 0.00 H new ATOM 0 HB THR A 33 7.391 -0.824 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.082 -1.702 1.654 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.144 0.645 1.212 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.580 1.485 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.154 0.904 2.668 1.00 0.00 H new ATOM 457 N LEU A 34 5.554 1.778 2.007 1.00 0.00 N ATOM 458 CA LEU A 34 4.951 3.042 1.599 1.00 0.00 C ATOM 459 C LEU A 34 6.024 4.073 1.263 1.00 0.00 C ATOM 460 O LEU A 34 6.982 4.258 2.015 1.00 0.00 O ATOM 461 CB LEU A 34 4.043 3.578 2.707 1.00 0.00 C ATOM 462 CG LEU A 34 2.803 2.740 3.022 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.038 3.338 4.193 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.907 2.632 1.797 1.00 0.00 C ATOM 0 H LEU A 34 6.182 1.849 2.808 1.00 0.00 H new ATOM 0 HA LEU A 34 4.354 2.860 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.633 3.674 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.718 4.581 2.430 1.00 0.00 H new ATOM 0 HG LEU A 34 3.127 1.737 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.159 2.728 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.681 3.363 5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.725 4.352 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.030 2.032 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.591 3.629 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.457 2.158 0.984 1.00 0.00 H new ATOM 476 N THR A 35 5.857 4.745 0.128 1.00 0.00 N ATOM 477 CA THR A 35 6.809 5.759 -0.308 1.00 0.00 C ATOM 478 C THR A 35 6.099 7.048 -0.703 1.00 0.00 C ATOM 479 O THR A 35 6.533 8.142 -0.344 1.00 0.00 O ATOM 480 CB THR A 35 7.650 5.264 -1.500 1.00 0.00 C ATOM 481 OG1 THR A 35 6.853 4.431 -2.350 1.00 0.00 O ATOM 482 CG2 THR A 35 8.867 4.489 -1.020 1.00 0.00 C ATOM 0 H THR A 35 5.071 4.605 -0.506 1.00 0.00 H new ATOM 0 HA THR A 35 7.469 5.956 0.537 1.00 0.00 H new ATOM 0 HB THR A 35 7.991 6.134 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.395 4.122 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.445 4.150 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.487 5.134 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.543 3.626 -0.438 1.00 0.00 H new ATOM 490 N ASN A 36 5.003 6.912 -1.442 1.00 0.00 N ATOM 491 CA ASN A 36 4.231 8.067 -1.885 1.00 0.00 C ATOM 492 C ASN A 36 2.821 7.655 -2.295 1.00 0.00 C ATOM 493 O ASN A 36 2.499 6.468 -2.338 1.00 0.00 O ATOM 494 CB ASN A 36 4.933 8.757 -3.056 1.00 0.00 C ATOM 495 CG ASN A 36 4.653 10.247 -3.103 1.00 0.00 C ATOM 496 OD1 ASN A 36 4.400 10.874 -2.074 1.00 0.00 O ATOM 497 ND2 ASN A 36 4.697 10.820 -4.300 1.00 0.00 N ATOM 0 H ASN A 36 4.629 6.013 -1.747 1.00 0.00 H new ATOM 0 HA ASN A 36 4.158 8.765 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.008 8.595 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.609 8.300 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.517 11.820 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.911 10.261 -5.126 1.00 0.00 H new ATOM 504 N GLN A 37 1.985 8.643 -2.596 1.00 0.00 N ATOM 505 CA GLN A 37 0.609 8.383 -3.003 1.00 0.00 C ATOM 506 C GLN A 37 0.277 9.113 -4.300 1.00 0.00 C ATOM 507 O GLN A 37 0.687 10.257 -4.502 1.00 0.00 O ATOM 508 CB GLN A 37 -0.361 8.810 -1.900 1.00 0.00 C ATOM 509 CG GLN A 37 -1.798 8.953 -2.375 1.00 0.00 C ATOM 510 CD GLN A 37 -2.703 9.561 -1.322 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.327 10.515 -0.640 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.904 9.011 -1.183 1.00 0.00 N ATOM 0 H GLN A 37 2.236 9.631 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 37 0.504 7.312 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.325 8.078 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.029 9.761 -1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.821 9.574 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.183 7.973 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.174 8.221 -1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.556 9.378 -0.490 1.00 0.00 H new ATOM 521 N ILE A 38 -0.468 8.446 -5.175 1.00 0.00 N ATOM 522 CA ILE A 38 -0.856 9.033 -6.451 1.00 0.00 C ATOM 523 C ILE A 38 -2.344 9.364 -6.475 1.00 0.00 C ATOM 524 O ILE A 38 -2.743 10.445 -6.910 1.00 0.00 O ATOM 525 CB ILE A 38 -0.532 8.091 -7.626 1.00 0.00 C ATOM 526 CG1 ILE A 38 0.982 7.920 -7.769 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.134 8.626 -8.916 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.571 6.918 -6.800 1.00 0.00 C ATOM 0 H ILE A 38 -0.815 7.499 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.280 9.952 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.971 7.115 -7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.209 7.605 -8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.464 8.886 -7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.896 7.949 -9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.216 8.700 -8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.722 9.612 -9.128 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.647 6.848 -6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.375 7.242 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.116 5.941 -6.965 1.00 0.00 H new ATOM 540 N ASP A 39 -3.160 8.428 -6.004 1.00 0.00 N ATOM 541 CA ASP A 39 -4.605 8.620 -5.968 1.00 0.00 C ATOM 542 C ASP A 39 -5.081 8.900 -4.546 1.00 0.00 C ATOM 543 O ASP A 39 -4.288 8.900 -3.606 1.00 0.00 O ATOM 544 CB ASP A 39 -5.319 7.388 -6.526 1.00 0.00 C ATOM 545 CG ASP A 39 -4.646 6.842 -7.770 1.00 0.00 C ATOM 546 OD1 ASP A 39 -4.279 7.649 -8.649 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.485 5.607 -7.862 1.00 0.00 O ATOM 0 H ASP A 39 -2.845 7.528 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.848 9.482 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.348 6.611 -5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.352 7.645 -6.759 1.00 0.00 H new ATOM 552 N GLU A 40 -6.380 9.137 -4.398 1.00 0.00 N ATOM 553 CA GLU A 40 -6.961 9.420 -3.091 1.00 0.00 C ATOM 554 C GLU A 40 -7.312 8.127 -2.361 1.00 0.00 C ATOM 555 O GLU A 40 -7.599 8.135 -1.164 1.00 0.00 O ATOM 556 CB GLU A 40 -8.210 10.290 -3.240 1.00 0.00 C ATOM 557 CG GLU A 40 -7.906 11.772 -3.380 1.00 0.00 C ATOM 558 CD GLU A 40 -7.420 12.139 -4.768 1.00 0.00 C ATOM 559 OE1 GLU A 40 -8.149 11.862 -5.744 1.00 0.00 O ATOM 560 OE2 GLU A 40 -6.311 12.703 -4.879 1.00 0.00 O ATOM 0 H GLU A 40 -7.050 9.139 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.220 9.960 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.771 9.959 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.853 10.140 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.803 12.346 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.150 12.055 -2.648 1.00 0.00 H new ATOM 567 N ASN A 41 -7.288 7.016 -3.091 1.00 0.00 N ATOM 568 CA ASN A 41 -7.605 5.715 -2.514 1.00 0.00 C ATOM 569 C ASN A 41 -6.517 4.696 -2.839 1.00 0.00 C ATOM 570 O ASN A 41 -6.683 3.499 -2.603 1.00 0.00 O ATOM 571 CB ASN A 41 -8.956 5.219 -3.034 1.00 0.00 C ATOM 572 CG ASN A 41 -10.115 5.703 -2.185 1.00 0.00 C ATOM 573 OD1 ASN A 41 -11.032 6.358 -2.682 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.080 5.382 -0.897 1.00 0.00 N ATOM 0 H ASN A 41 -7.052 6.991 -4.083 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.659 5.829 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.094 5.559 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.956 4.129 -3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.833 5.680 -0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.300 4.838 -0.528 1.00 0.00 H new ATOM 581 N TRP A 42 -5.405 5.179 -3.380 1.00 0.00 N ATOM 582 CA TRP A 42 -4.289 4.311 -3.737 1.00 0.00 C ATOM 583 C TRP A 42 -3.002 4.773 -3.062 1.00 0.00 C ATOM 584 O TRP A 42 -2.914 5.902 -2.578 1.00 0.00 O ATOM 585 CB TRP A 42 -4.102 4.283 -5.255 1.00 0.00 C ATOM 586 CG TRP A 42 -5.324 3.831 -5.995 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.556 4.421 -5.980 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.432 2.694 -6.858 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.423 3.718 -6.782 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.758 2.655 -7.332 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.537 1.706 -7.278 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.208 1.666 -8.203 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.986 0.725 -8.141 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.311 0.711 -8.597 1.00 0.00 C ATOM 0 H TRP A 42 -5.252 6.167 -3.581 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.519 3.304 -3.388 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.826 5.280 -5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.272 3.620 -5.500 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.811 5.309 -5.421 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.403 3.951 -6.942 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.513 1.709 -6.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.229 1.653 -8.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.304 -0.045 -8.470 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.630 -0.069 -9.273 1.00 0.00 H new ATOM 605 N TYR A 43 -2.005 3.895 -3.034 1.00 0.00 N ATOM 606 CA TYR A 43 -0.723 4.213 -2.417 1.00 0.00 C ATOM 607 C TYR A 43 0.434 3.779 -3.310 1.00 0.00 C ATOM 608 O TYR A 43 0.246 3.029 -4.267 1.00 0.00 O ATOM 609 CB TYR A 43 -0.610 3.536 -1.050 1.00 0.00 C ATOM 610 CG TYR A 43 -1.370 4.250 0.045 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.292 5.630 0.186 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.166 3.544 0.939 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.984 6.286 1.185 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.863 4.193 1.940 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.768 5.563 2.060 1.00 0.00 C ATOM 616 OH TYR A 43 -3.460 6.214 3.056 1.00 0.00 O ATOM 0 H TYR A 43 -2.060 2.957 -3.432 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.670 5.294 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.979 2.513 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.442 3.475 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.680 6.200 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.241 2.470 0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.912 7.359 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.479 3.630 2.625 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.140 5.614 3.428 1.00 0.00 H new ATOM 626 N GLU A 44 1.633 4.256 -2.988 1.00 0.00 N ATOM 627 CA GLU A 44 2.822 3.917 -3.761 1.00 0.00 C ATOM 628 C GLU A 44 3.874 3.251 -2.878 1.00 0.00 C ATOM 629 O GLU A 44 4.200 3.748 -1.801 1.00 0.00 O ATOM 630 CB GLU A 44 3.407 5.171 -4.414 1.00 0.00 C ATOM 631 CG GLU A 44 4.187 4.887 -5.687 1.00 0.00 C ATOM 632 CD GLU A 44 5.018 6.072 -6.138 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.964 6.444 -5.412 1.00 0.00 O ATOM 634 OE2 GLU A 44 4.723 6.628 -7.217 1.00 0.00 O ATOM 0 H GLU A 44 1.806 4.878 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 44 2.529 3.213 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.597 5.864 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.062 5.670 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.841 4.030 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.492 4.612 -6.481 1.00 0.00 H new ATOM 641 N GLY A 45 4.401 2.123 -3.344 1.00 0.00 N ATOM 642 CA GLY A 45 5.409 1.406 -2.585 1.00 0.00 C ATOM 643 C GLY A 45 6.093 0.328 -3.402 1.00 0.00 C ATOM 644 O GLY A 45 5.780 0.138 -4.577 1.00 0.00 O ATOM 0 H GLY A 45 4.148 1.693 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.156 2.112 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.946 0.954 -1.708 1.00 0.00 H new ATOM 648 N MET A 46 7.031 -0.378 -2.779 1.00 0.00 N ATOM 649 CA MET A 46 7.761 -1.443 -3.458 1.00 0.00 C ATOM 650 C MET A 46 7.422 -2.803 -2.857 1.00 0.00 C ATOM 651 O MET A 46 7.487 -2.990 -1.641 1.00 0.00 O ATOM 652 CB MET A 46 9.268 -1.194 -3.368 1.00 0.00 C ATOM 653 CG MET A 46 9.818 -0.371 -4.522 1.00 0.00 C ATOM 654 SD MET A 46 11.597 -0.105 -4.399 1.00 0.00 S ATOM 655 CE MET A 46 11.647 1.413 -3.450 1.00 0.00 C ATOM 0 H MET A 46 7.303 -0.232 -1.807 1.00 0.00 H new ATOM 0 HA MET A 46 7.462 -1.444 -4.506 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.488 -0.683 -2.431 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.785 -2.153 -3.337 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.594 -0.875 -5.462 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.311 0.594 -4.549 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.684 1.708 -3.290 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.125 2.200 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.162 1.256 -2.486 1.00 0.00 H new ATOM 665 N LEU A 47 7.058 -3.750 -3.715 1.00 0.00 N ATOM 666 CA LEU A 47 6.708 -5.094 -3.268 1.00 0.00 C ATOM 667 C LEU A 47 7.214 -6.144 -4.253 1.00 0.00 C ATOM 668 O LEU A 47 7.229 -5.918 -5.464 1.00 0.00 O ATOM 669 CB LEU A 47 5.193 -5.220 -3.104 1.00 0.00 C ATOM 670 CG LEU A 47 4.703 -6.411 -2.280 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.040 -6.217 -0.810 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.206 -6.608 -2.465 1.00 0.00 C ATOM 0 H LEU A 47 6.998 -3.612 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 47 7.187 -5.266 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.821 -4.306 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.744 -5.281 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 47 5.213 -7.307 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.684 -7.074 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.120 -6.127 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.558 -5.311 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.875 -7.460 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.678 -5.712 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.991 -6.794 -3.517 1.00 0.00 H new ATOM 684 N HIS A 48 7.625 -7.293 -3.726 1.00 0.00 N ATOM 685 CA HIS A 48 8.128 -8.379 -4.559 1.00 0.00 C ATOM 686 C HIS A 48 9.145 -7.861 -5.571 1.00 0.00 C ATOM 687 O HIS A 48 9.284 -8.410 -6.663 1.00 0.00 O ATOM 688 CB HIS A 48 6.974 -9.070 -5.286 1.00 0.00 C ATOM 689 CG HIS A 48 5.929 -8.121 -5.788 1.00 0.00 C ATOM 690 ND1 HIS A 48 6.024 -7.470 -7.000 1.00 0.00 N ATOM 691 CD2 HIS A 48 4.762 -7.716 -5.236 1.00 0.00 C ATOM 692 CE1 HIS A 48 4.961 -6.704 -7.170 1.00 0.00 C ATOM 693 NE2 HIS A 48 4.179 -6.835 -6.114 1.00 0.00 N ATOM 0 H HIS A 48 7.620 -7.496 -2.726 1.00 0.00 H new ATOM 0 HA HIS A 48 8.623 -9.102 -3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.373 -9.637 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.508 -9.787 -4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.363 -8.028 -4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.765 -6.077 -8.027 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.288 -6.360 -5.973 1.00 0.00 H new ATOM 702 N GLY A 49 9.854 -6.800 -5.200 1.00 0.00 N ATOM 703 CA GLY A 49 10.849 -6.225 -6.088 1.00 0.00 C ATOM 704 C GLY A 49 10.227 -5.431 -7.219 1.00 0.00 C ATOM 705 O GLY A 49 10.811 -5.309 -8.296 1.00 0.00 O ATOM 0 H GLY A 49 9.758 -6.328 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.512 -5.577 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.465 -7.023 -6.504 1.00 0.00 H new ATOM 709 N HIS A 50 9.037 -4.890 -6.976 1.00 0.00 N ATOM 710 CA HIS A 50 8.334 -4.104 -7.984 1.00 0.00 C ATOM 711 C HIS A 50 7.557 -2.961 -7.337 1.00 0.00 C ATOM 712 O HIS A 50 6.777 -3.175 -6.409 1.00 0.00 O ATOM 713 CB HIS A 50 7.383 -4.995 -8.783 1.00 0.00 C ATOM 714 CG HIS A 50 8.079 -5.878 -9.773 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.948 -5.398 -10.729 1.00 0.00 N ATOM 716 CD2 HIS A 50 8.030 -7.219 -9.949 1.00 0.00 C ATOM 717 CE1 HIS A 50 9.404 -6.406 -11.452 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.862 -7.522 -10.999 1.00 0.00 N ATOM 0 H HIS A 50 8.540 -4.982 -6.090 1.00 0.00 H new ATOM 0 HA HIS A 50 9.075 -3.678 -8.660 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.814 -5.616 -8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.666 -4.366 -9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.446 -7.920 -9.372 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.101 -6.330 -12.273 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.033 -8.457 -11.369 1.00 0.00 H new ATOM 727 N SER A 51 7.776 -1.748 -7.834 1.00 0.00 N ATOM 728 CA SER A 51 7.100 -0.571 -7.301 1.00 0.00 C ATOM 729 C SER A 51 5.850 -0.247 -8.115 1.00 0.00 C ATOM 730 O SER A 51 5.939 0.184 -9.264 1.00 0.00 O ATOM 731 CB SER A 51 8.047 0.631 -7.300 1.00 0.00 C ATOM 732 OG SER A 51 8.167 1.186 -8.598 1.00 0.00 O ATOM 0 H SER A 51 8.416 -1.555 -8.604 1.00 0.00 H new ATOM 0 HA SER A 51 6.799 -0.789 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.677 1.389 -6.610 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.029 0.324 -6.940 1.00 0.00 H new ATOM 0 HG SER A 51 7.603 0.684 -9.222 1.00 0.00 H new ATOM 738 N GLY A 52 4.686 -0.459 -7.509 1.00 0.00 N ATOM 739 CA GLY A 52 3.434 -0.185 -8.191 1.00 0.00 C ATOM 740 C GLY A 52 2.386 0.399 -7.266 1.00 0.00 C ATOM 741 O GLY A 52 2.627 0.568 -6.070 1.00 0.00 O ATOM 0 H GLY A 52 4.587 -0.815 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.616 0.508 -9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.053 -1.107 -8.630 1.00 0.00 H new ATOM 745 N PHE A 53 1.218 0.711 -7.819 1.00 0.00 N ATOM 746 CA PHE A 53 0.129 1.283 -7.036 1.00 0.00 C ATOM 747 C PHE A 53 -0.912 0.221 -6.696 1.00 0.00 C ATOM 748 O PHE A 53 -1.295 -0.584 -7.546 1.00 0.00 O ATOM 749 CB PHE A 53 -0.529 2.433 -7.801 1.00 0.00 C ATOM 750 CG PHE A 53 0.425 3.192 -8.678 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.691 3.524 -8.223 1.00 0.00 C ATOM 752 CD2 PHE A 53 0.056 3.575 -9.957 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.571 4.223 -9.027 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.931 4.275 -10.767 1.00 0.00 C ATOM 755 CZ PHE A 53 2.191 4.598 -10.301 1.00 0.00 C ATOM 0 H PHE A 53 1.002 0.577 -8.807 1.00 0.00 H new ATOM 0 HA PHE A 53 0.547 1.668 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.337 2.035 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.981 3.122 -7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.994 3.233 -7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.927 3.324 -10.326 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.555 4.476 -8.660 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.630 4.569 -11.762 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.878 5.143 -10.932 1.00 0.00 H new ATOM 765 N PHE A 54 -1.368 0.225 -5.448 1.00 0.00 N ATOM 766 CA PHE A 54 -2.364 -0.738 -4.994 1.00 0.00 C ATOM 767 C PHE A 54 -3.518 -0.034 -4.286 1.00 0.00 C ATOM 768 O PHE A 54 -3.369 1.057 -3.737 1.00 0.00 O ATOM 769 CB PHE A 54 -1.724 -1.763 -4.056 1.00 0.00 C ATOM 770 CG PHE A 54 -0.849 -1.146 -3.002 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.365 -0.571 -3.340 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.242 -1.141 -1.673 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.172 -0.003 -2.372 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.439 -0.574 -0.701 1.00 0.00 C ATOM 775 CZ PHE A 54 0.769 -0.005 -1.051 1.00 0.00 C ATOM 0 H PHE A 54 -1.063 0.885 -4.733 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.759 -1.254 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.511 -2.341 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.131 -2.463 -4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.685 -0.566 -4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.186 -1.585 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.117 0.442 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.756 -0.576 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.398 0.438 -0.293 1.00 0.00 H new ATOM 785 N PRO A 55 -4.697 -0.674 -4.298 1.00 0.00 N ATOM 786 CA PRO A 55 -5.900 -0.128 -3.662 1.00 0.00 C ATOM 787 C PRO A 55 -5.803 -0.132 -2.140 1.00 0.00 C ATOM 788 O PRO A 55 -5.137 -0.986 -1.553 1.00 0.00 O ATOM 789 CB PRO A 55 -7.009 -1.074 -4.129 1.00 0.00 C ATOM 790 CG PRO A 55 -6.311 -2.357 -4.428 1.00 0.00 C ATOM 791 CD PRO A 55 -4.947 -1.978 -4.934 1.00 0.00 C ATOM 0 HA PRO A 55 -6.067 0.914 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.768 -1.206 -3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.516 -0.684 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.237 -2.978 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.858 -2.934 -5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.195 -2.714 -4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.928 -1.905 -6.021 1.00 0.00 H new ATOM 799 N ILE A 56 -6.470 0.827 -1.507 1.00 0.00 N ATOM 800 CA ILE A 56 -6.460 0.932 -0.053 1.00 0.00 C ATOM 801 C ILE A 56 -7.682 0.254 0.556 1.00 0.00 C ATOM 802 O ILE A 56 -7.773 0.092 1.772 1.00 0.00 O ATOM 803 CB ILE A 56 -6.422 2.403 0.404 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.217 3.119 -0.209 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.377 2.484 1.923 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.341 4.627 -0.198 1.00 0.00 C ATOM 0 H ILE A 56 -7.024 1.542 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.558 0.428 0.294 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.329 2.899 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.318 2.832 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.088 2.781 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.350 3.529 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.263 2.005 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.485 1.975 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.452 5.068 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.221 4.924 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.440 4.976 0.830 1.00 0.00 H new ATOM 818 N ASN A 57 -8.619 -0.143 -0.299 1.00 0.00 N ATOM 819 CA ASN A 57 -9.836 -0.806 0.155 1.00 0.00 C ATOM 820 C ASN A 57 -9.563 -2.267 0.502 1.00 0.00 C ATOM 821 O ASN A 57 -10.483 -3.026 0.807 1.00 0.00 O ATOM 822 CB ASN A 57 -10.921 -0.721 -0.921 1.00 0.00 C ATOM 823 CG ASN A 57 -11.387 0.703 -1.159 1.00 0.00 C ATOM 824 OD1 ASN A 57 -10.947 1.363 -2.100 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.284 1.182 -0.305 1.00 0.00 N ATOM 0 H ASN A 57 -8.559 -0.017 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.183 -0.296 1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.538 -1.136 -1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.772 -1.334 -0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.636 2.133 -0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.621 0.599 0.461 1.00 0.00 H new ATOM 832 N TYR A 58 -8.293 -2.653 0.452 1.00 0.00 N ATOM 833 CA TYR A 58 -7.898 -4.022 0.760 1.00 0.00 C ATOM 834 C TYR A 58 -6.850 -4.052 1.868 1.00 0.00 C ATOM 835 O TYR A 58 -6.730 -5.034 2.600 1.00 0.00 O ATOM 836 CB TYR A 58 -7.352 -4.711 -0.492 1.00 0.00 C ATOM 837 CG TYR A 58 -8.424 -5.336 -1.356 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.362 -6.206 -0.813 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.500 -5.056 -2.715 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.343 -6.780 -1.599 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.478 -5.624 -3.508 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.397 -6.486 -2.945 1.00 0.00 C ATOM 843 OH TYR A 58 -11.373 -7.054 -3.731 1.00 0.00 O ATOM 0 H TYR A 58 -7.520 -2.037 0.201 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.781 -4.558 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.798 -3.983 -1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.643 -5.483 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.324 -6.437 0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.782 -4.383 -3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.063 -7.455 -1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.523 -5.395 -4.562 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.272 -6.742 -4.655 1.00 0.00 H new ATOM 853 N VAL A 59 -6.092 -2.966 1.985 1.00 0.00 N ATOM 854 CA VAL A 59 -5.054 -2.865 3.004 1.00 0.00 C ATOM 855 C VAL A 59 -5.357 -1.738 3.986 1.00 0.00 C ATOM 856 O VAL A 59 -6.018 -0.761 3.639 1.00 0.00 O ATOM 857 CB VAL A 59 -3.670 -2.623 2.374 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.435 -3.583 1.217 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.539 -1.179 1.914 1.00 0.00 C ATOM 0 H VAL A 59 -6.177 -2.144 1.387 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.041 -3.815 3.538 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.908 -2.810 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.452 -3.397 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.483 -4.610 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.201 -3.431 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.555 -1.026 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.308 -0.962 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.660 -0.513 2.768 1.00 0.00 H new ATOM 869 N GLU A 60 -4.867 -1.884 5.214 1.00 0.00 N ATOM 870 CA GLU A 60 -5.086 -0.878 6.247 1.00 0.00 C ATOM 871 C GLU A 60 -3.788 -0.149 6.580 1.00 0.00 C ATOM 872 O GLU A 60 -2.735 -0.771 6.728 1.00 0.00 O ATOM 873 CB GLU A 60 -5.658 -1.526 7.509 1.00 0.00 C ATOM 874 CG GLU A 60 -6.548 -0.600 8.320 1.00 0.00 C ATOM 875 CD GLU A 60 -7.975 -0.564 7.806 1.00 0.00 C ATOM 876 OE1 GLU A 60 -8.704 -1.556 8.014 1.00 0.00 O ATOM 877 OE2 GLU A 60 -8.362 0.455 7.197 1.00 0.00 O ATOM 0 H GLU A 60 -4.317 -2.688 5.517 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.803 -0.152 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.230 -2.410 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.835 -1.867 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.549 -0.923 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.133 0.408 8.299 1.00 0.00 H new ATOM 884 N ILE A 61 -3.871 1.172 6.696 1.00 0.00 N ATOM 885 CA ILE A 61 -2.703 1.986 7.012 1.00 0.00 C ATOM 886 C ILE A 61 -2.483 2.070 8.518 1.00 0.00 C ATOM 887 O ILE A 61 -3.246 2.722 9.233 1.00 0.00 O ATOM 888 CB ILE A 61 -2.839 3.411 6.444 1.00 0.00 C ATOM 889 CG1 ILE A 61 -2.790 3.381 4.915 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.743 4.308 6.997 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.655 2.546 4.363 1.00 0.00 C ATOM 0 H ILE A 61 -4.734 1.702 6.576 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.845 1.500 6.548 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.803 3.818 6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.735 2.991 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.695 4.401 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.853 5.312 6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.821 4.350 8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.769 3.906 6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.682 2.570 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.704 2.949 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.760 1.517 4.706 1.00 0.00 H new ATOM 903 N LEU A 62 -1.435 1.408 8.996 1.00 0.00 N ATOM 904 CA LEU A 62 -1.113 1.409 10.419 1.00 0.00 C ATOM 905 C LEU A 62 -0.306 2.648 10.793 1.00 0.00 C ATOM 906 O LEU A 62 -0.511 3.239 11.853 1.00 0.00 O ATOM 907 CB LEU A 62 -0.330 0.146 10.785 1.00 0.00 C ATOM 908 CG LEU A 62 -0.928 -1.177 10.305 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.026 -2.327 10.587 1.00 0.00 C ATOM 910 CD2 LEU A 62 -2.276 -1.425 10.966 1.00 0.00 C ATOM 0 H LEU A 62 -0.794 0.864 8.419 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.048 1.425 10.979 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.677 0.236 10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.232 0.105 11.870 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.081 -1.115 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.416 -3.260 10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.968 -2.155 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.211 -2.391 11.659 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.686 -2.371 10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.149 -1.467 12.048 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.960 -0.615 10.712 1.00 0.00 H new ATOM 922 N VAL A 63 0.613 3.037 9.914 1.00 0.00 N ATOM 923 CA VAL A 63 1.449 4.208 10.151 1.00 0.00 C ATOM 924 C VAL A 63 1.192 5.287 9.105 1.00 0.00 C ATOM 925 O VAL A 63 1.553 5.135 7.939 1.00 0.00 O ATOM 926 CB VAL A 63 2.945 3.841 10.137 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.803 5.094 10.232 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.267 2.877 11.268 1.00 0.00 C ATOM 0 H VAL A 63 0.797 2.559 9.032 1.00 0.00 H new ATOM 0 HA VAL A 63 1.185 4.591 11.137 1.00 0.00 H new ATOM 0 HB VAL A 63 3.171 3.346 9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.857 4.815 10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.591 5.745 9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.577 5.620 11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.328 2.628 11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.026 3.343 12.223 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.678 1.967 11.149 1.00 0.00 H new ATOM 938 N ALA A 64 0.565 6.379 9.532 1.00 0.00 N ATOM 939 CA ALA A 64 0.261 7.485 8.633 1.00 0.00 C ATOM 940 C ALA A 64 1.536 8.089 8.055 1.00 0.00 C ATOM 941 O ALA A 64 2.454 8.452 8.793 1.00 0.00 O ATOM 942 CB ALA A 64 -0.547 8.550 9.361 1.00 0.00 C ATOM 0 H ALA A 64 0.258 6.521 10.494 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.333 7.096 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.767 9.370 8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.480 8.116 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.027 8.927 10.207 1.00 0.00 H new ATOM 948 N LEU A 65 1.589 8.194 6.732 1.00 0.00 N ATOM 949 CA LEU A 65 2.753 8.754 6.054 1.00 0.00 C ATOM 950 C LEU A 65 3.151 10.091 6.671 1.00 0.00 C ATOM 951 O LEU A 65 2.337 10.792 7.272 1.00 0.00 O ATOM 952 CB LEU A 65 2.463 8.933 4.563 1.00 0.00 C ATOM 953 CG LEU A 65 2.634 7.687 3.692 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.826 7.817 2.411 1.00 0.00 C ATOM 955 CD2 LEU A 65 4.104 7.455 3.377 1.00 0.00 C ATOM 0 H LEU A 65 0.839 7.899 6.107 1.00 0.00 H new ATOM 0 HA LEU A 65 3.583 8.058 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.440 9.291 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.118 9.714 4.177 1.00 0.00 H new ATOM 0 HG LEU A 65 2.262 6.825 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.960 6.922 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.771 7.934 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.167 8.688 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.207 6.565 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.502 8.318 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.658 7.316 4.306 1.00 0.00 H new ATOM 967 N PRO A 66 4.432 10.456 6.516 1.00 0.00 N ATOM 968 CA PRO A 66 4.967 11.714 7.048 1.00 0.00 C ATOM 969 C PRO A 66 4.428 12.932 6.306 1.00 0.00 C ATOM 970 O PRO A 66 4.765 14.070 6.635 1.00 0.00 O ATOM 971 CB PRO A 66 6.476 11.578 6.830 1.00 0.00 C ATOM 972 CG PRO A 66 6.610 10.630 5.689 1.00 0.00 C ATOM 973 CD PRO A 66 5.458 9.670 5.811 1.00 0.00 C ATOM 0 HA PRO A 66 4.686 11.869 8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.931 12.541 6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.972 11.196 7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.578 11.159 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.563 10.103 5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.108 9.336 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.736 8.778 6.372 1.00 0.00 H new ATOM 981 N HIS A 67 3.590 12.687 5.304 1.00 0.00 N ATOM 982 CA HIS A 67 3.003 13.765 4.516 1.00 0.00 C ATOM 983 C HIS A 67 1.487 13.795 4.680 1.00 0.00 C ATOM 984 O HIS A 67 0.804 12.806 4.412 1.00 0.00 O ATOM 985 CB HIS A 67 3.366 13.601 3.040 1.00 0.00 C ATOM 986 CG HIS A 67 4.683 14.214 2.675 1.00 0.00 C ATOM 987 ND1 HIS A 67 5.895 13.635 2.987 1.00 0.00 N ATOM 988 CD2 HIS A 67 4.974 15.362 2.019 1.00 0.00 C ATOM 989 CE1 HIS A 67 6.874 14.401 2.540 1.00 0.00 C ATOM 990 NE2 HIS A 67 6.342 15.455 1.948 1.00 0.00 N ATOM 0 H HIS A 67 3.302 11.751 5.018 1.00 0.00 H new ATOM 0 HA HIS A 67 3.408 14.710 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.389 12.539 2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.583 14.052 2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.262 16.072 1.625 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.930 14.200 2.641 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.863 16.215 1.509 1.00 0.00 H new ATOM 999 N SER A 68 0.967 14.935 5.122 1.00 0.00 N ATOM 1000 CA SER A 68 -0.469 15.092 5.326 1.00 0.00 C ATOM 1001 C SER A 68 -0.920 16.500 4.950 1.00 0.00 C ATOM 1002 O SER A 68 -0.149 17.455 5.036 1.00 0.00 O ATOM 1003 CB SER A 68 -0.834 14.799 6.782 1.00 0.00 C ATOM 1004 OG SER A 68 -2.234 14.880 6.984 1.00 0.00 O ATOM 0 H SER A 68 1.518 15.764 5.346 1.00 0.00 H new ATOM 0 HA SER A 68 -0.983 14.380 4.680 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.481 13.805 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.328 15.508 7.437 1.00 0.00 H new ATOM 0 HG SER A 68 -2.441 14.687 7.922 1.00 0.00 H new ATOM 1010 N GLY A 69 -2.177 16.620 4.532 1.00 0.00 N ATOM 1011 CA GLY A 69 -2.710 17.914 4.148 1.00 0.00 C ATOM 1012 C GLY A 69 -3.512 18.563 5.259 1.00 0.00 C ATOM 1013 O GLY A 69 -4.285 17.909 5.959 1.00 0.00 O ATOM 0 H GLY A 69 -2.835 15.845 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.889 18.572 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.343 17.796 3.268 1.00 0.00 H new ATOM 1017 N PRO A 70 -3.330 19.880 5.434 1.00 0.00 N ATOM 1018 CA PRO A 70 -4.033 20.647 6.467 1.00 0.00 C ATOM 1019 C PRO A 70 -5.521 20.793 6.169 1.00 0.00 C ATOM 1020 O PRO A 70 -5.927 21.665 5.401 1.00 0.00 O ATOM 1021 CB PRO A 70 -3.343 22.012 6.427 1.00 0.00 C ATOM 1022 CG PRO A 70 -2.798 22.121 5.044 1.00 0.00 C ATOM 1023 CD PRO A 70 -2.424 20.723 4.636 1.00 0.00 C ATOM 0 HA PRO A 70 -3.985 20.159 7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.046 22.817 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.549 22.076 7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.539 22.541 4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.931 22.781 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.566 20.565 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.378 20.507 4.854 1.00 0.00 H new ATOM 1031 N SER A 71 -6.330 19.934 6.781 1.00 0.00 N ATOM 1032 CA SER A 71 -7.773 19.966 6.578 1.00 0.00 C ATOM 1033 C SER A 71 -8.417 21.063 7.421 1.00 0.00 C ATOM 1034 O SER A 71 -8.823 20.829 8.559 1.00 0.00 O ATOM 1035 CB SER A 71 -8.389 18.610 6.930 1.00 0.00 C ATOM 1036 OG SER A 71 -9.804 18.665 6.883 1.00 0.00 O ATOM 0 H SER A 71 -6.010 19.207 7.421 1.00 0.00 H new ATOM 0 HA SER A 71 -7.962 20.182 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.028 17.852 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.067 18.308 7.927 1.00 0.00 H new ATOM 0 HG SER A 71 -10.173 17.786 7.110 1.00 0.00 H new ATOM 1042 N SER A 72 -8.505 22.261 6.853 1.00 0.00 N ATOM 1043 CA SER A 72 -9.094 23.397 7.553 1.00 0.00 C ATOM 1044 C SER A 72 -10.606 23.230 7.682 1.00 0.00 C ATOM 1045 O SER A 72 -11.366 23.674 6.823 1.00 0.00 O ATOM 1046 CB SER A 72 -8.775 24.699 6.815 1.00 0.00 C ATOM 1047 OG SER A 72 -7.376 24.912 6.740 1.00 0.00 O ATOM 0 H SER A 72 -8.176 22.471 5.910 1.00 0.00 H new ATOM 0 HA SER A 72 -8.663 23.440 8.553 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.195 24.664 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.247 25.537 7.328 1.00 0.00 H new ATOM 0 HG SER A 72 -7.198 25.749 6.263 1.00 0.00 H new ATOM 1053 N GLY A 73 -11.033 22.585 8.763 1.00 0.00 N ATOM 1054 CA GLY A 73 -12.451 22.370 8.987 1.00 0.00 C ATOM 1055 C GLY A 73 -13.173 23.640 9.390 1.00 0.00 C ATOM 1056 O GLY A 73 -13.634 23.766 10.525 1.00 0.00 O ATOM 0 H GLY A 73 -10.423 22.207 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.903 21.971 8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.583 21.618 9.765 1.00 0.00 H new TER 1060 GLY A 73