USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 686 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 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 64 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 SER OG : rot -76:sc= 0.635 USER MOD Single : A 8 SER OG : rot 30:sc= 0.418 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00507 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -33:sc= 0.325 USER MOD Single : A 31 SER OG : rot 31:sc= 0.543 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.173 K(o=0.17,f=-0.46) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -42:sc= 0.16 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0658 USER MOD Single : A 102 ASN : amide:sc= 0.0232 K(o=0.023,f=-1.1) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.078) USER MOD Single : A 112 SER OG : rot 25:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 24 N ALA A 3 -14.843 11.785 -1.095 1.00 0.00 N ATOM 25 CA ALA A 3 -14.173 11.396 -2.387 1.00 0.00 C ATOM 26 C ALA A 3 -14.496 9.938 -2.791 1.00 0.00 C ATOM 27 O ALA A 3 -14.124 9.014 -2.082 1.00 0.00 O ATOM 28 CB ALA A 3 -12.652 11.527 -2.171 1.00 0.00 C ATOM 0 HA ALA A 3 -14.534 12.045 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.129 11.253 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.409 12.557 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -12.341 10.864 -1.364 1.00 0.00 H new ATOM 34 N ALA A 4 -15.167 9.793 -3.939 1.00 0.00 N ATOM 35 CA ALA A 4 -15.565 8.440 -4.479 1.00 0.00 C ATOM 36 C ALA A 4 -14.380 7.769 -5.176 1.00 0.00 C ATOM 37 O ALA A 4 -13.625 8.460 -5.844 1.00 0.00 O ATOM 38 CB ALA A 4 -16.652 8.673 -5.539 1.00 0.00 C ATOM 0 H ALA A 4 -15.455 10.576 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 4 -15.908 7.807 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -16.967 7.715 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.508 9.168 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.254 9.301 -6.336 1.00 0.00 H new ATOM 44 N VAL A 5 -14.258 6.444 -4.958 1.00 0.00 N ATOM 45 CA VAL A 5 -13.167 5.559 -5.539 1.00 0.00 C ATOM 46 C VAL A 5 -13.947 4.393 -6.181 1.00 0.00 C ATOM 47 O VAL A 5 -14.974 3.988 -5.652 1.00 0.00 O ATOM 48 CB VAL A 5 -12.170 4.977 -4.394 1.00 0.00 C ATOM 49 CG1 VAL A 5 -10.778 4.443 -5.000 1.00 0.00 C ATOM 50 CG2 VAL A 5 -11.904 6.042 -3.242 1.00 0.00 C ATOM 0 H VAL A 5 -14.912 5.929 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.534 6.110 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.685 4.122 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.151 4.066 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.975 3.641 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.265 5.260 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.233 5.613 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.448 6.935 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.849 6.309 -2.768 1.00 0.00 H new ATOM 60 N SER A 6 -13.477 3.971 -7.358 1.00 0.00 N ATOM 61 CA SER A 6 -14.105 2.832 -8.145 1.00 0.00 C ATOM 62 C SER A 6 -13.084 2.230 -9.120 1.00 0.00 C ATOM 63 O SER A 6 -12.219 2.946 -9.596 1.00 0.00 O ATOM 64 CB SER A 6 -15.330 3.348 -8.967 1.00 0.00 C ATOM 65 OG SER A 6 -15.090 2.933 -10.304 1.00 0.00 O ATOM 0 H SER A 6 -12.663 4.383 -7.813 1.00 0.00 H new ATOM 0 HA SER A 6 -14.430 2.073 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.262 2.930 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.418 4.433 -8.902 1.00 0.00 H new ATOM 0 HG SER A 6 -15.830 3.227 -10.876 1.00 0.00 H new ATOM 71 N VAL A 7 -13.221 0.903 -9.324 1.00 0.00 N ATOM 72 CA VAL A 7 -12.343 0.059 -10.243 1.00 0.00 C ATOM 73 C VAL A 7 -13.380 -0.625 -11.164 1.00 0.00 C ATOM 74 O VAL A 7 -14.477 -0.902 -10.696 1.00 0.00 O ATOM 75 CB VAL A 7 -11.502 -1.059 -9.416 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.240 -1.615 -10.242 1.00 0.00 C ATOM 77 CG2 VAL A 7 -11.051 -0.538 -7.973 1.00 0.00 C ATOM 0 H VAL A 7 -13.947 0.356 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.596 0.651 -10.772 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.188 -1.893 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.713 -2.359 -9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.585 -2.073 -11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.565 -0.791 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.493 -1.322 -7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.419 0.343 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.933 -0.280 -7.387 1.00 0.00 H new ATOM 87 N SER A 8 -13.022 -0.805 -12.447 1.00 0.00 N ATOM 88 CA SER A 8 -13.933 -1.463 -13.483 1.00 0.00 C ATOM 89 C SER A 8 -13.052 -2.068 -14.674 1.00 0.00 C ATOM 90 O SER A 8 -12.461 -1.237 -15.356 1.00 0.00 O ATOM 91 CB SER A 8 -14.825 -0.327 -14.068 1.00 0.00 C ATOM 92 OG SER A 8 -15.922 -0.248 -13.169 1.00 0.00 O ATOM 0 H SER A 8 -12.118 -0.516 -12.820 1.00 0.00 H new ATOM 0 HA SER A 8 -14.520 -2.262 -13.031 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.284 0.618 -14.120 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.155 -0.561 -15.080 1.00 0.00 H new ATOM 0 HG SER A 8 -15.628 -0.508 -12.271 1.00 0.00 H new ATOM 98 N PRO A 9 -12.851 -3.456 -14.926 1.00 0.00 N ATOM 99 CA PRO A 9 -13.337 -4.679 -14.141 1.00 0.00 C ATOM 100 C PRO A 9 -12.753 -4.738 -12.715 1.00 0.00 C ATOM 101 O PRO A 9 -11.779 -4.070 -12.460 1.00 0.00 O ATOM 102 CB PRO A 9 -12.818 -5.900 -14.925 1.00 0.00 C ATOM 103 CG PRO A 9 -12.129 -5.401 -16.202 1.00 0.00 C ATOM 104 CD PRO A 9 -12.074 -3.875 -16.150 1.00 0.00 C ATOM 0 HA PRO A 9 -14.422 -4.645 -14.040 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.118 -6.472 -14.316 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.642 -6.568 -15.175 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.124 -5.815 -16.278 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.678 -5.732 -17.084 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.043 -3.526 -16.092 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.507 -3.441 -17.051 1.00 0.00 H new ATOM 112 N ALA A 10 -13.422 -5.500 -11.828 1.00 0.00 N ATOM 113 CA ALA A 10 -12.989 -5.671 -10.370 1.00 0.00 C ATOM 114 C ALA A 10 -13.191 -7.108 -9.865 1.00 0.00 C ATOM 115 O ALA A 10 -12.861 -7.370 -8.716 1.00 0.00 O ATOM 116 CB ALA A 10 -13.881 -4.753 -9.486 1.00 0.00 C ATOM 0 H ALA A 10 -14.267 -6.019 -12.066 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.930 -5.421 -10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.589 -4.859 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.754 -3.715 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.926 -5.040 -9.602 1.00 0.00 H new ATOM 122 N THR A 11 -13.732 -7.990 -10.729 1.00 0.00 N ATOM 123 CA THR A 11 -13.997 -9.451 -10.375 1.00 0.00 C ATOM 124 C THR A 11 -13.633 -10.359 -11.563 1.00 0.00 C ATOM 125 O THR A 11 -13.668 -9.923 -12.703 1.00 0.00 O ATOM 126 CB THR A 11 -15.528 -9.684 -10.093 1.00 0.00 C ATOM 127 OG1 THR A 11 -16.176 -9.315 -11.295 1.00 0.00 O ATOM 128 CG2 THR A 11 -16.189 -8.745 -9.039 1.00 0.00 C ATOM 0 H THR A 11 -14.003 -7.744 -11.681 1.00 0.00 H new ATOM 0 HA THR A 11 -13.397 -9.685 -9.495 1.00 0.00 H new ATOM 0 HB THR A 11 -15.620 -10.710 -9.735 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.143 -9.436 -11.196 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.243 -9.003 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.687 -8.865 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.100 -7.710 -9.368 1.00 0.00 H new ATOM 136 N GLY A 12 -13.260 -11.598 -11.230 1.00 0.00 N ATOM 137 CA GLY A 12 -12.870 -12.640 -12.253 1.00 0.00 C ATOM 138 C GLY A 12 -11.530 -12.352 -12.941 1.00 0.00 C ATOM 139 O GLY A 12 -11.352 -12.745 -14.084 1.00 0.00 O ATOM 0 H GLY A 12 -13.212 -11.929 -10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.817 -13.614 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.651 -12.704 -13.010 1.00 0.00 H new ATOM 143 N LEU A 13 -10.635 -11.701 -12.203 1.00 0.00 N ATOM 144 CA LEU A 13 -9.256 -11.335 -12.723 1.00 0.00 C ATOM 145 C LEU A 13 -8.371 -12.602 -12.822 1.00 0.00 C ATOM 146 O LEU A 13 -8.617 -13.565 -12.109 1.00 0.00 O ATOM 147 CB LEU A 13 -8.561 -10.344 -11.705 1.00 0.00 C ATOM 148 CG LEU A 13 -9.385 -8.996 -11.257 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.454 -8.057 -10.352 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.999 -8.160 -12.474 1.00 0.00 C ATOM 0 H LEU A 13 -10.808 -11.403 -11.243 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.365 -10.874 -13.705 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.323 -10.906 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.614 -10.027 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.241 -9.349 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.010 -7.166 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.147 -8.601 -9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.571 -7.764 -10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.526 -7.288 -12.087 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.195 -7.835 -13.135 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.695 -8.787 -13.031 1.00 0.00 H new ATOM 162 N ALA A 14 -7.380 -12.527 -13.737 1.00 0.00 N ATOM 163 CA ALA A 14 -6.374 -13.630 -14.032 1.00 0.00 C ATOM 164 C ALA A 14 -4.944 -13.056 -13.970 1.00 0.00 C ATOM 165 O ALA A 14 -4.779 -11.917 -13.575 1.00 0.00 O ATOM 166 CB ALA A 14 -6.678 -14.129 -15.467 1.00 0.00 C ATOM 0 H ALA A 14 -7.234 -11.697 -14.312 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.447 -14.441 -13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.982 -14.925 -15.731 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.698 -14.510 -15.511 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.568 -13.303 -16.170 1.00 0.00 H new ATOM 172 N ASP A 15 -3.961 -13.886 -14.323 1.00 0.00 N ATOM 173 CA ASP A 15 -2.503 -13.481 -14.319 1.00 0.00 C ATOM 174 C ASP A 15 -2.190 -12.411 -15.391 1.00 0.00 C ATOM 175 O ASP A 15 -2.562 -12.586 -16.542 1.00 0.00 O ATOM 176 CB ASP A 15 -1.688 -14.750 -14.650 1.00 0.00 C ATOM 177 CG ASP A 15 -0.255 -14.392 -15.067 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.460 -13.912 -14.203 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.048 -14.634 -16.227 1.00 0.00 O ATOM 0 H ASP A 15 -4.120 -14.849 -14.620 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.254 -13.056 -13.347 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.664 -15.408 -13.781 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.177 -15.301 -15.453 1.00 0.00 H new ATOM 184 N GLY A 16 -1.534 -11.326 -14.958 1.00 0.00 N ATOM 185 CA GLY A 16 -1.147 -10.186 -15.876 1.00 0.00 C ATOM 186 C GLY A 16 -2.357 -9.358 -16.339 1.00 0.00 C ATOM 187 O GLY A 16 -2.300 -8.773 -17.411 1.00 0.00 O ATOM 0 H GLY A 16 -1.250 -11.191 -13.988 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.442 -9.534 -15.361 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.631 -10.587 -16.749 1.00 0.00 H new ATOM 191 N ALA A 17 -3.392 -9.320 -15.500 1.00 0.00 N ATOM 192 CA ALA A 17 -4.651 -8.550 -15.815 1.00 0.00 C ATOM 193 C ALA A 17 -4.444 -7.032 -15.716 1.00 0.00 C ATOM 194 O ALA A 17 -3.999 -6.557 -14.681 1.00 0.00 O ATOM 195 CB ALA A 17 -5.720 -8.925 -14.778 1.00 0.00 C ATOM 0 H ALA A 17 -3.409 -9.800 -14.600 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.944 -8.802 -16.834 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.639 -8.378 -14.989 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.916 -9.996 -14.828 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.365 -8.667 -13.780 1.00 0.00 H new ATOM 201 N THR A 18 -4.813 -6.335 -16.796 1.00 0.00 N ATOM 202 CA THR A 18 -4.695 -4.840 -16.900 1.00 0.00 C ATOM 203 C THR A 18 -6.014 -4.302 -16.342 1.00 0.00 C ATOM 204 O THR A 18 -7.052 -4.882 -16.645 1.00 0.00 O ATOM 205 CB THR A 18 -4.535 -4.504 -18.427 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.560 -5.425 -18.877 1.00 0.00 O ATOM 207 CG2 THR A 18 -3.879 -3.122 -18.753 1.00 0.00 C ATOM 0 H THR A 18 -5.203 -6.771 -17.631 1.00 0.00 H new ATOM 0 HA THR A 18 -3.852 -4.409 -16.360 1.00 0.00 H new ATOM 0 HB THR A 18 -5.532 -4.523 -18.868 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.396 -5.287 -19.833 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.818 -2.994 -19.834 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.485 -2.322 -18.327 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.877 -3.085 -18.326 1.00 0.00 H new ATOM 215 N VAL A 19 -5.921 -3.280 -15.478 1.00 0.00 N ATOM 216 CA VAL A 19 -7.134 -2.630 -14.826 1.00 0.00 C ATOM 217 C VAL A 19 -7.037 -1.088 -14.921 1.00 0.00 C ATOM 218 O VAL A 19 -5.940 -0.553 -14.890 1.00 0.00 O ATOM 219 CB VAL A 19 -7.278 -3.106 -13.289 1.00 0.00 C ATOM 220 CG1 VAL A 19 -8.067 -4.493 -13.174 1.00 0.00 C ATOM 221 CG2 VAL A 19 -5.880 -3.182 -12.506 1.00 0.00 C ATOM 0 H VAL A 19 -5.032 -2.866 -15.196 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.028 -2.949 -15.362 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.864 -2.329 -12.798 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.144 -4.782 -12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.066 -4.379 -13.594 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.528 -5.265 -13.724 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.054 -3.508 -11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.221 -3.892 -13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.413 -2.197 -12.499 1.00 0.00 H new ATOM 231 N THR A 20 -8.219 -0.464 -15.045 1.00 0.00 N ATOM 232 CA THR A 20 -8.399 1.033 -15.159 1.00 0.00 C ATOM 233 C THR A 20 -8.930 1.577 -13.810 1.00 0.00 C ATOM 234 O THR A 20 -10.128 1.545 -13.566 1.00 0.00 O ATOM 235 CB THR A 20 -9.442 1.211 -16.326 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.699 0.900 -17.488 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.950 2.662 -16.633 1.00 0.00 C ATOM 0 H THR A 20 -9.103 -0.972 -15.072 1.00 0.00 H new ATOM 0 HA THR A 20 -7.480 1.578 -15.372 1.00 0.00 H new ATOM 0 HB THR A 20 -10.311 0.615 -16.047 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.275 0.983 -18.277 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.661 2.631 -17.458 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.438 3.072 -15.748 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.104 3.293 -16.906 1.00 0.00 H new ATOM 245 N VAL A 21 -7.997 2.066 -12.983 1.00 0.00 N ATOM 246 CA VAL A 21 -8.332 2.642 -11.618 1.00 0.00 C ATOM 247 C VAL A 21 -8.834 4.065 -11.918 1.00 0.00 C ATOM 248 O VAL A 21 -8.364 4.659 -12.875 1.00 0.00 O ATOM 249 CB VAL A 21 -6.976 2.630 -10.721 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.022 3.605 -9.437 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.610 1.136 -10.278 1.00 0.00 C ATOM 0 H VAL A 21 -7.002 2.087 -13.208 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.084 2.086 -11.058 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.192 3.028 -11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.079 3.537 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.178 4.632 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.840 3.306 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.700 1.147 -9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.428 0.721 -9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.453 0.522 -11.165 1.00 0.00 H new ATOM 261 N SER A 22 -9.780 4.530 -11.091 1.00 0.00 N ATOM 262 CA SER A 22 -10.408 5.907 -11.214 1.00 0.00 C ATOM 263 C SER A 22 -10.494 6.565 -9.843 1.00 0.00 C ATOM 264 O SER A 22 -10.295 5.908 -8.833 1.00 0.00 O ATOM 265 CB SER A 22 -11.844 5.750 -11.755 1.00 0.00 C ATOM 266 OG SER A 22 -12.657 5.672 -10.594 1.00 0.00 O ATOM 0 H SER A 22 -10.149 3.985 -10.312 1.00 0.00 H new ATOM 0 HA SER A 22 -9.800 6.518 -11.882 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.127 6.596 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.941 4.854 -12.368 1.00 0.00 H new ATOM 0 HG SER A 22 -12.570 4.782 -10.193 1.00 0.00 H new ATOM 272 N ALA A 23 -10.727 7.872 -9.882 1.00 0.00 N ATOM 273 CA ALA A 23 -10.853 8.728 -8.652 1.00 0.00 C ATOM 274 C ALA A 23 -11.590 10.009 -9.037 1.00 0.00 C ATOM 275 O ALA A 23 -11.495 10.424 -10.182 1.00 0.00 O ATOM 276 CB ALA A 23 -9.438 9.080 -8.143 1.00 0.00 C ATOM 0 H ALA A 23 -10.838 8.391 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.400 8.202 -7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.516 9.701 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.900 8.163 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.898 9.624 -8.918 1.00 0.00 H new ATOM 282 N SER A 24 -12.351 10.558 -8.082 1.00 0.00 N ATOM 283 CA SER A 24 -13.142 11.827 -8.307 1.00 0.00 C ATOM 284 C SER A 24 -13.479 12.479 -6.964 1.00 0.00 C ATOM 285 O SER A 24 -13.665 11.777 -5.984 1.00 0.00 O ATOM 286 CB SER A 24 -14.459 11.475 -9.027 1.00 0.00 C ATOM 287 OG SER A 24 -14.803 10.189 -8.531 1.00 0.00 O ATOM 0 H SER A 24 -12.451 10.166 -7.146 1.00 0.00 H new ATOM 0 HA SER A 24 -12.549 12.517 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.238 12.206 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.328 11.461 -10.109 1.00 0.00 H new ATOM 0 HG SER A 24 -15.640 9.892 -8.945 1.00 0.00 H new ATOM 293 N GLY A 25 -13.493 13.821 -6.962 1.00 0.00 N ATOM 294 CA GLY A 25 -13.803 14.655 -5.734 1.00 0.00 C ATOM 295 C GLY A 25 -12.560 14.853 -4.834 1.00 0.00 C ATOM 296 O GLY A 25 -11.718 13.973 -4.742 1.00 0.00 O ATOM 0 H GLY A 25 -13.295 14.379 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.184 15.628 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.593 14.172 -5.159 1.00 0.00 H new ATOM 300 N PHE A 26 -12.488 16.061 -4.242 1.00 0.00 N ATOM 301 CA PHE A 26 -11.364 16.501 -3.309 1.00 0.00 C ATOM 302 C PHE A 26 -11.951 17.385 -2.209 1.00 0.00 C ATOM 303 O PHE A 26 -13.103 17.776 -2.303 1.00 0.00 O ATOM 304 CB PHE A 26 -10.258 17.300 -4.099 1.00 0.00 C ATOM 305 CG PHE A 26 -10.593 18.857 -4.266 1.00 0.00 C ATOM 306 CD1 PHE A 26 -11.585 19.293 -5.185 1.00 0.00 C ATOM 307 CD2 PHE A 26 -9.875 19.885 -3.573 1.00 0.00 C ATOM 308 CE1 PHE A 26 -11.823 20.637 -5.389 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.147 21.217 -3.809 1.00 0.00 C ATOM 310 CZ PHE A 26 -11.111 21.589 -4.708 1.00 0.00 C ATOM 0 H PHE A 26 -13.197 16.781 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.899 15.617 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.305 17.195 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.135 16.855 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.161 18.562 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.112 19.614 -2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.581 20.942 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.592 21.976 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 26 -11.311 22.636 -4.881 1.00 0.00 H new ATOM 320 N ALA A 27 -11.134 17.648 -1.185 1.00 0.00 N ATOM 321 CA ALA A 27 -11.547 18.507 -0.007 1.00 0.00 C ATOM 322 C ALA A 27 -10.329 18.879 0.839 1.00 0.00 C ATOM 323 O ALA A 27 -10.273 19.994 1.336 1.00 0.00 O ATOM 324 CB ALA A 27 -12.514 17.720 0.913 1.00 0.00 C ATOM 0 H ALA A 27 -10.180 17.292 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.026 19.402 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.805 18.346 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.402 17.436 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.016 16.823 1.282 1.00 0.00 H new ATOM 330 N THR A 28 -9.406 17.913 0.955 1.00 0.00 N ATOM 331 CA THR A 28 -8.111 18.052 1.751 1.00 0.00 C ATOM 332 C THR A 28 -6.890 17.766 0.865 1.00 0.00 C ATOM 333 O THR A 28 -5.946 18.539 0.893 1.00 0.00 O ATOM 334 CB THR A 28 -8.134 16.982 2.874 1.00 0.00 C ATOM 335 OG1 THR A 28 -8.873 15.911 2.327 1.00 0.00 O ATOM 336 CG2 THR A 28 -8.946 17.370 4.147 1.00 0.00 C ATOM 0 H THR A 28 -9.507 17.000 0.511 1.00 0.00 H new ATOM 0 HA THR A 28 -8.040 19.066 2.144 1.00 0.00 H new ATOM 0 HB THR A 28 -7.101 16.801 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.932 15.185 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.900 16.556 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.522 18.272 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.985 17.554 3.874 1.00 0.00 H new ATOM 344 N SER A 29 -6.958 16.675 0.100 1.00 0.00 N ATOM 345 CA SER A 29 -5.831 16.255 -0.829 1.00 0.00 C ATOM 346 C SER A 29 -5.637 17.248 -2.006 1.00 0.00 C ATOM 347 O SER A 29 -6.575 17.950 -2.359 1.00 0.00 O ATOM 348 CB SER A 29 -6.211 14.888 -1.399 1.00 0.00 C ATOM 349 OG SER A 29 -7.361 15.127 -2.197 1.00 0.00 O ATOM 0 H SER A 29 -7.763 16.049 0.083 1.00 0.00 H new ATOM 0 HA SER A 29 -4.897 16.231 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.399 14.469 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.425 14.175 -0.603 1.00 0.00 H new ATOM 0 HG SER A 29 -7.661 14.285 -2.599 1.00 0.00 H new ATOM 355 N THR A 30 -4.397 17.279 -2.527 1.00 0.00 N ATOM 356 CA THR A 30 -3.968 18.181 -3.696 1.00 0.00 C ATOM 357 C THR A 30 -3.050 17.415 -4.698 1.00 0.00 C ATOM 358 O THR A 30 -2.670 17.947 -5.728 1.00 0.00 O ATOM 359 CB THR A 30 -3.283 19.478 -3.098 1.00 0.00 C ATOM 360 OG1 THR A 30 -3.049 20.338 -4.198 1.00 0.00 O ATOM 361 CG2 THR A 30 -1.860 19.305 -2.462 1.00 0.00 C ATOM 0 H THR A 30 -3.640 16.694 -2.175 1.00 0.00 H new ATOM 0 HA THR A 30 -4.839 18.485 -4.277 1.00 0.00 H new ATOM 0 HB THR A 30 -3.956 19.816 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.844 19.803 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.507 20.268 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.915 18.596 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.168 18.931 -3.216 1.00 0.00 H new ATOM 369 N SER A 31 -2.766 16.170 -4.347 1.00 0.00 N ATOM 370 CA SER A 31 -1.897 15.226 -5.154 1.00 0.00 C ATOM 371 C SER A 31 -2.140 13.828 -4.576 1.00 0.00 C ATOM 372 O SER A 31 -2.539 13.748 -3.430 1.00 0.00 O ATOM 373 CB SER A 31 -0.400 15.598 -4.960 1.00 0.00 C ATOM 374 OG SER A 31 -0.128 16.544 -5.982 1.00 0.00 O ATOM 0 H SER A 31 -3.121 15.749 -3.488 1.00 0.00 H new ATOM 0 HA SER A 31 -2.134 15.278 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.222 16.021 -3.971 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.241 14.721 -5.051 1.00 0.00 H new ATOM 0 HG SER A 31 -0.940 17.058 -6.177 1.00 0.00 H new ATOM 380 N ALA A 32 -1.940 12.769 -5.379 1.00 0.00 N ATOM 381 CA ALA A 32 -2.161 11.344 -4.888 1.00 0.00 C ATOM 382 C ALA A 32 -1.433 10.315 -5.771 1.00 0.00 C ATOM 383 O ALA A 32 -1.201 10.582 -6.935 1.00 0.00 O ATOM 384 CB ALA A 32 -3.689 11.052 -4.936 1.00 0.00 C ATOM 0 H ALA A 32 -1.634 12.839 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.764 11.258 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.876 10.036 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.215 11.758 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.048 11.158 -5.960 1.00 0.00 H new ATOM 390 N THR A 33 -1.081 9.185 -5.119 1.00 0.00 N ATOM 391 CA THR A 33 -0.359 7.998 -5.725 1.00 0.00 C ATOM 392 C THR A 33 -1.331 6.811 -5.628 1.00 0.00 C ATOM 393 O THR A 33 -2.461 7.016 -5.215 1.00 0.00 O ATOM 394 CB THR A 33 0.881 7.737 -4.805 1.00 0.00 C ATOM 395 OG1 THR A 33 1.251 9.026 -4.356 1.00 0.00 O ATOM 396 CG2 THR A 33 2.186 7.224 -5.505 1.00 0.00 C ATOM 0 H THR A 33 -1.288 9.050 -4.129 1.00 0.00 H new ATOM 0 HA THR A 33 -0.047 8.151 -6.758 1.00 0.00 H new ATOM 0 HB THR A 33 0.576 6.980 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.029 8.955 -3.765 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.968 7.083 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.983 6.275 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.516 7.956 -6.242 1.00 0.00 H new ATOM 404 N ALA A 34 -0.889 5.633 -6.061 1.00 0.00 N ATOM 405 CA ALA A 34 -1.735 4.377 -6.023 1.00 0.00 C ATOM 406 C ALA A 34 -0.821 3.148 -6.122 1.00 0.00 C ATOM 407 O ALA A 34 -0.138 2.993 -7.128 1.00 0.00 O ATOM 408 CB ALA A 34 -2.691 4.380 -7.238 1.00 0.00 C ATOM 0 H ALA A 34 0.044 5.491 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.304 4.345 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.305 3.480 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.334 5.259 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.109 4.404 -8.159 1.00 0.00 H new ATOM 414 N LEU A 35 -0.761 2.375 -5.013 1.00 0.00 N ATOM 415 CA LEU A 35 0.089 1.106 -4.910 1.00 0.00 C ATOM 416 C LEU A 35 -0.705 0.045 -4.139 1.00 0.00 C ATOM 417 O LEU A 35 -1.566 0.399 -3.345 1.00 0.00 O ATOM 418 CB LEU A 35 1.467 1.224 -4.109 1.00 0.00 C ATOM 419 CG LEU A 35 2.224 2.661 -4.071 1.00 0.00 C ATOM 420 CD1 LEU A 35 1.654 3.619 -2.916 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.813 2.481 -3.918 1.00 0.00 C ATOM 0 H LEU A 35 -1.282 2.585 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 35 0.323 0.872 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.278 0.922 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.159 0.496 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 35 2.021 3.144 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.192 4.567 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.593 3.801 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.790 3.140 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.290 3.461 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.031 1.950 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.197 1.910 -4.763 1.00 0.00 H new ATOM 433 N GLN A 36 -0.357 -1.218 -4.432 1.00 0.00 N ATOM 434 CA GLN A 36 -0.968 -2.454 -3.821 1.00 0.00 C ATOM 435 C GLN A 36 0.138 -3.035 -2.930 1.00 0.00 C ATOM 436 O GLN A 36 1.296 -2.866 -3.272 1.00 0.00 O ATOM 437 CB GLN A 36 -1.270 -3.418 -5.031 1.00 0.00 C ATOM 438 CG GLN A 36 -1.871 -4.823 -4.672 1.00 0.00 C ATOM 439 CD GLN A 36 -0.784 -5.902 -4.770 1.00 0.00 C ATOM 440 OE1 GLN A 36 -0.063 -6.158 -3.828 1.00 0.00 O ATOM 441 NE2 GLN A 36 -0.643 -6.559 -5.887 1.00 0.00 N ATOM 0 H GLN A 36 0.371 -1.435 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.878 -2.288 -3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.961 -2.913 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.343 -3.574 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.285 -4.803 -3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.692 -5.060 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.246 -6.348 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.070 -7.284 -5.966 1.00 0.00 H new ATOM 450 N CYS A 37 -0.258 -3.648 -1.804 1.00 0.00 N ATOM 451 CA CYS A 37 0.713 -4.281 -0.811 1.00 0.00 C ATOM 452 C CYS A 37 0.107 -5.592 -0.283 1.00 0.00 C ATOM 453 O CYS A 37 -1.103 -5.664 -0.103 1.00 0.00 O ATOM 454 CB CYS A 37 0.958 -3.333 0.399 1.00 0.00 C ATOM 455 SG CYS A 37 1.583 -1.655 0.093 1.00 0.00 S ATOM 0 H CYS A 37 -1.237 -3.735 -1.531 1.00 0.00 H new ATOM 0 HA CYS A 37 1.659 -4.467 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.016 -3.239 0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.661 -3.829 1.068 1.00 0.00 H new ATOM 460 N ALA A 38 0.989 -6.574 -0.042 1.00 0.00 N ATOM 461 CA ALA A 38 0.599 -7.942 0.478 1.00 0.00 C ATOM 462 C ALA A 38 0.663 -7.989 2.014 1.00 0.00 C ATOM 463 O ALA A 38 1.740 -7.840 2.572 1.00 0.00 O ATOM 464 CB ALA A 38 1.623 -8.952 -0.097 1.00 0.00 C ATOM 0 H ALA A 38 1.992 -6.468 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.422 -8.177 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.380 -9.955 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.585 -8.928 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.625 -8.684 0.237 1.00 0.00 H new ATOM 470 N ILE A 39 -0.505 -8.172 2.648 1.00 0.00 N ATOM 471 CA ILE A 39 -0.611 -8.245 4.159 1.00 0.00 C ATOM 472 C ILE A 39 -0.126 -9.659 4.533 1.00 0.00 C ATOM 473 O ILE A 39 -0.341 -10.577 3.763 1.00 0.00 O ATOM 474 CB ILE A 39 -2.157 -8.049 4.613 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.872 -6.726 4.005 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.355 -8.197 6.229 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.184 -5.355 4.307 1.00 0.00 C ATOM 0 H ILE A 39 -1.397 -8.274 2.165 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.023 -7.470 4.650 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.694 -8.879 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.939 -6.842 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.893 -6.686 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.406 -8.057 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.035 -9.190 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.756 -7.443 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.758 -4.551 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.141 -5.199 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.173 -5.358 3.900 1.00 0.00 H new ATOM 489 N LEU A 40 0.577 -9.741 5.670 1.00 0.00 N ATOM 490 CA LEU A 40 1.153 -11.034 6.236 1.00 0.00 C ATOM 491 C LEU A 40 0.736 -11.047 7.722 1.00 0.00 C ATOM 492 O LEU A 40 -0.003 -10.158 8.119 1.00 0.00 O ATOM 493 CB LEU A 40 2.757 -11.098 6.123 1.00 0.00 C ATOM 494 CG LEU A 40 3.454 -10.676 4.705 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.005 -10.337 4.906 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.263 -11.781 3.559 1.00 0.00 C ATOM 0 H LEU A 40 0.780 -8.926 6.249 1.00 0.00 H new ATOM 0 HA LEU A 40 0.779 -11.892 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.171 -10.456 6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.066 -12.117 6.354 1.00 0.00 H new ATOM 0 HG LEU A 40 2.937 -9.779 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.444 -10.060 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.108 -9.508 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.520 -11.212 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.747 -11.443 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.712 -12.721 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.200 -11.932 3.373 1.00 0.00 H new ATOM 508 N ALA A 41 1.183 -12.062 8.475 1.00 0.00 N ATOM 509 CA ALA A 41 0.848 -12.197 9.945 1.00 0.00 C ATOM 510 C ALA A 41 1.430 -11.048 10.776 1.00 0.00 C ATOM 511 O ALA A 41 0.734 -10.492 11.612 1.00 0.00 O ATOM 512 CB ALA A 41 1.460 -13.511 10.451 1.00 0.00 C ATOM 0 H ALA A 41 1.776 -12.810 8.115 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.236 -12.178 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.233 -13.634 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.041 -14.347 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.541 -13.486 10.312 1.00 0.00 H new ATOM 518 N ASP A 42 2.682 -10.709 10.464 1.00 0.00 N ATOM 519 CA ASP A 42 3.431 -9.590 11.173 1.00 0.00 C ATOM 520 C ASP A 42 2.892 -8.191 10.748 1.00 0.00 C ATOM 521 O ASP A 42 3.062 -7.223 11.475 1.00 0.00 O ATOM 522 CB ASP A 42 4.950 -9.716 10.858 1.00 0.00 C ATOM 523 CG ASP A 42 5.208 -10.054 9.386 1.00 0.00 C ATOM 524 OD1 ASP A 42 5.144 -9.138 8.598 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.457 -11.222 9.138 1.00 0.00 O ATOM 0 H ASP A 42 3.224 -11.171 9.734 1.00 0.00 H new ATOM 0 HA ASP A 42 3.274 -9.683 12.248 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.450 -8.780 11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.388 -10.490 11.489 1.00 0.00 H new ATOM 530 N GLY A 43 2.254 -8.142 9.574 1.00 0.00 N ATOM 531 CA GLY A 43 1.658 -6.872 9.009 1.00 0.00 C ATOM 532 C GLY A 43 2.666 -5.839 8.477 1.00 0.00 C ATOM 533 O GLY A 43 2.329 -4.662 8.480 1.00 0.00 O ATOM 0 H GLY A 43 2.124 -8.958 8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.980 -7.140 8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.057 -6.399 9.785 1.00 0.00 H new ATOM 537 N ARG A 44 3.845 -6.295 8.031 1.00 0.00 N ATOM 538 CA ARG A 44 4.915 -5.358 7.475 1.00 0.00 C ATOM 539 C ARG A 44 4.449 -4.916 6.080 1.00 0.00 C ATOM 540 O ARG A 44 3.803 -5.698 5.403 1.00 0.00 O ATOM 541 CB ARG A 44 6.267 -6.126 7.292 1.00 0.00 C ATOM 542 CG ARG A 44 7.015 -6.450 8.654 1.00 0.00 C ATOM 543 CD ARG A 44 8.086 -5.397 9.090 1.00 0.00 C ATOM 544 NE ARG A 44 8.427 -5.659 10.516 1.00 0.00 N ATOM 545 CZ ARG A 44 9.389 -4.979 11.076 1.00 0.00 C ATOM 546 NH1 ARG A 44 9.112 -3.834 11.637 1.00 0.00 N ATOM 547 NH2 ARG A 44 10.600 -5.468 11.057 1.00 0.00 N ATOM 0 H ARG A 44 4.109 -7.280 8.030 1.00 0.00 H new ATOM 0 HA ARG A 44 5.060 -4.518 8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.074 -7.060 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.927 -5.533 6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.272 -6.539 9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.500 -7.422 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.975 -5.475 8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.698 -4.385 8.969 1.00 0.00 H new ATOM 0 HE ARG A 44 7.914 -6.362 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.154 -3.483 11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.853 -3.290 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.780 -6.367 10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.366 -4.951 11.490 1.00 0.00 H new ATOM 561 N GLY A 45 4.798 -3.691 5.703 1.00 0.00 N ATOM 562 CA GLY A 45 4.408 -3.111 4.359 1.00 0.00 C ATOM 563 C GLY A 45 5.235 -3.657 3.179 1.00 0.00 C ATOM 564 O GLY A 45 6.043 -2.913 2.646 1.00 0.00 O ATOM 0 H GLY A 45 5.348 -3.058 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.353 -3.318 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.518 -2.027 4.396 1.00 0.00 H new ATOM 568 N ALA A 46 4.961 -4.908 2.775 1.00 0.00 N ATOM 569 CA ALA A 46 5.691 -5.566 1.630 1.00 0.00 C ATOM 570 C ALA A 46 5.017 -5.097 0.324 1.00 0.00 C ATOM 571 O ALA A 46 4.056 -5.704 -0.122 1.00 0.00 O ATOM 572 CB ALA A 46 5.583 -7.104 1.828 1.00 0.00 C ATOM 0 H ALA A 46 4.249 -5.497 3.207 1.00 0.00 H new ATOM 0 HA ALA A 46 6.747 -5.300 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.102 -7.613 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.038 -7.381 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.533 -7.398 1.829 1.00 0.00 H new ATOM 578 N CYS A 47 5.532 -3.963 -0.203 1.00 0.00 N ATOM 579 CA CYS A 47 5.016 -3.314 -1.484 1.00 0.00 C ATOM 580 C CYS A 47 6.163 -3.048 -2.460 1.00 0.00 C ATOM 581 O CYS A 47 7.263 -2.721 -2.035 1.00 0.00 O ATOM 582 CB CYS A 47 4.346 -1.950 -1.123 1.00 0.00 C ATOM 583 SG CYS A 47 3.556 -1.767 0.500 1.00 0.00 S ATOM 0 H CYS A 47 6.309 -3.458 0.223 1.00 0.00 H new ATOM 0 HA CYS A 47 4.300 -3.989 -1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.108 -1.175 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.592 -1.741 -1.882 1.00 0.00 H new ATOM 588 N ASN A 48 5.852 -3.211 -3.751 1.00 0.00 N ATOM 589 CA ASN A 48 6.863 -2.990 -4.853 1.00 0.00 C ATOM 590 C ASN A 48 7.003 -1.491 -5.142 1.00 0.00 C ATOM 591 O ASN A 48 6.038 -0.754 -4.972 1.00 0.00 O ATOM 592 CB ASN A 48 6.364 -3.696 -6.127 1.00 0.00 C ATOM 593 CG ASN A 48 7.553 -4.359 -6.827 1.00 0.00 C ATOM 594 OD1 ASN A 48 8.266 -3.735 -7.587 1.00 0.00 O ATOM 595 ND2 ASN A 48 7.799 -5.619 -6.601 1.00 0.00 N ATOM 0 H ASN A 48 4.928 -3.491 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 48 7.829 -3.390 -4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.612 -4.443 -5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.887 -2.977 -6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.587 -6.075 -7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.204 -6.148 -5.964 1.00 0.00 H new ATOM 602 N VAL A 49 8.208 -1.115 -5.575 1.00 0.00 N ATOM 603 CA VAL A 49 8.574 0.324 -5.921 1.00 0.00 C ATOM 604 C VAL A 49 8.206 0.694 -7.383 1.00 0.00 C ATOM 605 O VAL A 49 7.936 1.846 -7.648 1.00 0.00 O ATOM 606 CB VAL A 49 10.161 0.561 -5.675 1.00 0.00 C ATOM 607 CG1 VAL A 49 10.460 0.951 -4.153 1.00 0.00 C ATOM 608 CG2 VAL A 49 11.086 -0.667 -6.144 1.00 0.00 C ATOM 0 H VAL A 49 8.978 -1.771 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 49 7.993 0.974 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 49 10.432 1.400 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.531 1.103 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.929 1.869 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.124 0.147 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 49 12.132 -0.431 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.806 -1.565 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.949 -0.839 -7.212 1.00 0.00 H new ATOM 618 N ALA A 50 8.139 -0.311 -8.255 1.00 0.00 N ATOM 619 CA ALA A 50 7.799 -0.110 -9.726 1.00 0.00 C ATOM 620 C ALA A 50 6.313 0.173 -10.054 1.00 0.00 C ATOM 621 O ALA A 50 6.031 0.556 -11.178 1.00 0.00 O ATOM 622 CB ALA A 50 8.162 -1.419 -10.437 1.00 0.00 C ATOM 0 H ALA A 50 8.310 -1.284 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 50 8.350 0.775 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.937 -1.330 -11.500 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.225 -1.621 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.582 -2.238 -10.011 1.00 0.00 H new ATOM 628 N GLU A 51 5.426 0.031 -9.066 1.00 0.00 N ATOM 629 CA GLU A 51 3.920 0.269 -9.251 1.00 0.00 C ATOM 630 C GLU A 51 3.527 1.778 -9.218 1.00 0.00 C ATOM 631 O GLU A 51 2.406 2.117 -9.591 1.00 0.00 O ATOM 632 CB GLU A 51 3.200 -0.468 -8.049 1.00 0.00 C ATOM 633 CG GLU A 51 3.078 -2.021 -8.210 1.00 0.00 C ATOM 634 CD GLU A 51 1.743 -2.386 -8.873 1.00 0.00 C ATOM 635 OE1 GLU A 51 1.731 -2.387 -10.090 1.00 0.00 O ATOM 636 OE2 GLU A 51 0.818 -2.653 -8.122 1.00 0.00 O ATOM 0 H GLU A 51 5.684 -0.245 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 51 3.623 -0.108 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.746 -0.254 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.201 -0.049 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.905 -2.397 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.150 -2.501 -7.234 1.00 0.00 H new ATOM 643 N PHE A 52 4.481 2.634 -8.859 1.00 0.00 N ATOM 644 CA PHE A 52 4.253 4.143 -8.772 1.00 0.00 C ATOM 645 C PHE A 52 3.908 4.831 -10.118 1.00 0.00 C ATOM 646 O PHE A 52 4.188 4.281 -11.177 1.00 0.00 O ATOM 647 CB PHE A 52 5.541 4.791 -8.158 1.00 0.00 C ATOM 648 CG PHE A 52 6.592 5.314 -9.253 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.367 4.402 -10.019 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.870 6.701 -9.451 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.337 4.847 -10.890 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.850 7.103 -10.337 1.00 0.00 C ATOM 653 CZ PHE A 52 8.576 6.186 -11.048 1.00 0.00 C ATOM 0 H PHE A 52 5.429 2.346 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 52 3.374 4.296 -8.146 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.248 5.626 -7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.033 4.060 -7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.192 3.341 -9.917 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.308 7.443 -8.902 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.916 4.131 -11.455 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.046 8.157 -10.471 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.339 6.519 -11.735 1.00 0.00 H new ATOM 663 N HIS A 53 3.238 5.994 -9.994 1.00 0.00 N ATOM 664 CA HIS A 53 2.793 6.856 -11.171 1.00 0.00 C ATOM 665 C HIS A 53 2.882 8.338 -10.755 1.00 0.00 C ATOM 666 O HIS A 53 3.393 9.137 -11.521 1.00 0.00 O ATOM 667 CB HIS A 53 1.330 6.497 -11.608 1.00 0.00 C ATOM 668 CG HIS A 53 1.191 6.734 -13.116 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.203 5.808 -13.995 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.031 7.917 -13.812 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.062 6.345 -15.159 1.00 0.00 C ATOM 672 NE2 HIS A 53 0.949 7.661 -15.116 1.00 0.00 N ATOM 0 H HIS A 53 2.978 6.385 -9.089 1.00 0.00 H new ATOM 0 HA HIS A 53 3.445 6.669 -12.024 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.109 5.457 -11.368 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.612 7.110 -11.062 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.980 8.899 -13.366 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.039 5.776 -16.077 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.829 8.316 -15.888 1.00 0.00 H new ATOM 679 N ASP A 54 2.428 8.632 -9.526 1.00 0.00 N ATOM 680 CA ASP A 54 2.429 10.030 -8.923 1.00 0.00 C ATOM 681 C ASP A 54 1.700 11.108 -9.781 1.00 0.00 C ATOM 682 O ASP A 54 2.246 12.158 -10.105 1.00 0.00 O ATOM 683 CB ASP A 54 3.905 10.405 -8.525 1.00 0.00 C ATOM 684 CG ASP A 54 3.910 11.466 -7.409 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.902 11.045 -6.262 1.00 0.00 O ATOM 686 OD2 ASP A 54 3.940 12.632 -7.764 1.00 0.00 O ATOM 0 H ASP A 54 2.043 7.925 -8.899 1.00 0.00 H new ATOM 0 HA ASP A 54 1.818 10.015 -8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.435 9.514 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.438 10.784 -9.397 1.00 0.00 H new ATOM 691 N PHE A 55 0.441 10.787 -10.093 1.00 0.00 N ATOM 692 CA PHE A 55 -0.443 11.692 -10.916 1.00 0.00 C ATOM 693 C PHE A 55 -0.860 12.930 -10.105 1.00 0.00 C ATOM 694 O PHE A 55 -0.934 12.840 -8.888 1.00 0.00 O ATOM 695 CB PHE A 55 -1.715 10.901 -11.379 1.00 0.00 C ATOM 696 CG PHE A 55 -2.644 10.380 -10.177 1.00 0.00 C ATOM 697 CD1 PHE A 55 -2.427 9.122 -9.566 1.00 0.00 C ATOM 698 CD2 PHE A 55 -3.802 11.093 -9.750 1.00 0.00 C ATOM 699 CE1 PHE A 55 -3.309 8.626 -8.627 1.00 0.00 C ATOM 700 CE2 PHE A 55 -4.659 10.562 -8.810 1.00 0.00 C ATOM 701 CZ PHE A 55 -4.413 9.340 -8.253 1.00 0.00 C ATOM 0 H PHE A 55 -0.009 9.919 -9.802 1.00 0.00 H new ATOM 0 HA PHE A 55 0.115 12.028 -11.790 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.309 11.542 -12.031 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.399 10.045 -11.975 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.558 8.541 -9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.011 12.066 -10.170 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.124 7.660 -8.181 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.535 11.119 -8.511 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.092 8.937 -7.516 1.00 0.00 H new ATOM 711 N SER A 56 -1.102 14.025 -10.831 1.00 0.00 N ATOM 712 CA SER A 56 -1.526 15.359 -10.247 1.00 0.00 C ATOM 713 C SER A 56 -2.932 15.705 -10.731 1.00 0.00 C ATOM 714 O SER A 56 -3.253 15.419 -11.874 1.00 0.00 O ATOM 715 CB SER A 56 -0.570 16.422 -10.802 1.00 0.00 C ATOM 716 OG SER A 56 0.574 16.330 -9.966 1.00 0.00 O ATOM 0 H SER A 56 -1.017 14.041 -11.847 1.00 0.00 H new ATOM 0 HA SER A 56 -1.508 15.318 -9.158 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.319 16.227 -11.844 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.014 17.417 -10.762 1.00 0.00 H new ATOM 0 HG SER A 56 1.245 16.983 -10.256 1.00 0.00 H new ATOM 722 N LEU A 57 -3.701 16.362 -9.861 1.00 0.00 N ATOM 723 CA LEU A 57 -5.121 16.777 -10.190 1.00 0.00 C ATOM 724 C LEU A 57 -5.055 18.050 -11.045 1.00 0.00 C ATOM 725 O LEU A 57 -4.059 18.761 -10.989 1.00 0.00 O ATOM 726 CB LEU A 57 -5.903 17.148 -8.861 1.00 0.00 C ATOM 727 CG LEU A 57 -5.763 16.129 -7.587 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.750 16.555 -6.401 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.972 14.582 -7.958 1.00 0.00 C ATOM 0 H LEU A 57 -3.395 16.629 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.625 15.960 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.569 18.135 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.961 17.234 -9.107 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.729 16.223 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.637 15.862 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.506 17.564 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.780 16.529 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.863 13.974 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.969 14.439 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.226 14.280 -8.693 1.00 0.00 H new ATOM 741 N SER A 58 -6.110 18.237 -11.852 1.00 0.00 N ATOM 742 CA SER A 58 -6.273 19.425 -12.794 1.00 0.00 C ATOM 743 C SER A 58 -7.698 19.995 -12.683 1.00 0.00 C ATOM 744 O SER A 58 -8.100 20.837 -13.475 1.00 0.00 O ATOM 745 CB SER A 58 -6.037 18.918 -14.238 1.00 0.00 C ATOM 746 OG SER A 58 -5.711 20.086 -14.979 1.00 0.00 O ATOM 0 H SER A 58 -6.892 17.584 -11.892 1.00 0.00 H new ATOM 0 HA SER A 58 -5.562 20.210 -12.535 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.229 18.187 -14.274 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.926 18.430 -14.637 1.00 0.00 H new ATOM 0 HG SER A 58 -6.303 20.819 -14.711 1.00 0.00 H new ATOM 752 N GLY A 59 -8.392 19.552 -11.655 1.00 0.00 N ATOM 753 CA GLY A 59 -9.792 19.989 -11.380 1.00 0.00 C ATOM 754 C GLY A 59 -10.278 19.215 -10.165 1.00 0.00 C ATOM 755 O GLY A 59 -10.741 19.806 -9.203 1.00 0.00 O ATOM 0 H GLY A 59 -8.027 18.883 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.829 21.062 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.431 19.794 -12.241 1.00 0.00 H new ATOM 759 N GLY A 60 -10.097 17.904 -10.250 1.00 0.00 N ATOM 760 CA GLY A 60 -10.514 16.976 -9.143 1.00 0.00 C ATOM 761 C GLY A 60 -10.422 15.489 -9.547 1.00 0.00 C ATOM 762 O GLY A 60 -10.617 14.661 -8.678 1.00 0.00 O ATOM 0 H GLY A 60 -9.672 17.439 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.884 17.151 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.538 17.206 -8.848 1.00 0.00 H new ATOM 766 N GLU A 61 -10.087 15.219 -10.829 1.00 0.00 N ATOM 767 CA GLU A 61 -9.961 13.799 -11.403 1.00 0.00 C ATOM 768 C GLU A 61 -8.551 13.571 -11.969 1.00 0.00 C ATOM 769 O GLU A 61 -7.831 14.525 -12.215 1.00 0.00 O ATOM 770 CB GLU A 61 -10.951 13.642 -12.615 1.00 0.00 C ATOM 771 CG GLU A 61 -12.375 14.225 -12.376 1.00 0.00 C ATOM 772 CD GLU A 61 -13.341 13.519 -13.330 1.00 0.00 C ATOM 773 OE1 GLU A 61 -13.314 13.882 -14.494 1.00 0.00 O ATOM 774 OE2 GLU A 61 -14.051 12.657 -12.840 1.00 0.00 O ATOM 0 H GLU A 61 -9.892 15.949 -11.514 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.177 13.092 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.516 14.130 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.043 12.583 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.681 14.071 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.381 15.300 -12.554 1.00 0.00 H new ATOM 781 N GLY A 62 -8.212 12.294 -12.158 1.00 0.00 N ATOM 782 CA GLY A 62 -6.867 11.893 -12.708 1.00 0.00 C ATOM 783 C GLY A 62 -6.758 10.360 -12.805 1.00 0.00 C ATOM 784 O GLY A 62 -6.219 9.729 -11.907 1.00 0.00 O ATOM 0 H GLY A 62 -8.828 11.509 -11.948 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.724 12.337 -13.693 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.075 12.280 -12.066 1.00 0.00 H new ATOM 788 N THR A 63 -7.255 9.832 -13.919 1.00 0.00 N ATOM 789 CA THR A 63 -7.249 8.340 -14.212 1.00 0.00 C ATOM 790 C THR A 63 -5.818 7.860 -14.545 1.00 0.00 C ATOM 791 O THR A 63 -5.007 8.665 -14.979 1.00 0.00 O ATOM 792 CB THR A 63 -8.148 8.158 -15.483 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.225 9.055 -15.288 1.00 0.00 O ATOM 794 CG2 THR A 63 -8.872 6.783 -15.635 1.00 0.00 C ATOM 0 H THR A 63 -7.677 10.392 -14.660 1.00 0.00 H new ATOM 0 HA THR A 63 -7.607 7.770 -13.355 1.00 0.00 H new ATOM 0 HB THR A 63 -7.491 8.290 -16.342 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.838 9.001 -16.051 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.461 6.782 -16.552 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.131 5.985 -15.679 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.530 6.622 -14.781 1.00 0.00 H new ATOM 802 N THR A 64 -5.555 6.561 -14.289 1.00 0.00 N ATOM 803 CA THR A 64 -4.191 5.915 -14.562 1.00 0.00 C ATOM 804 C THR A 64 -4.306 4.370 -14.694 1.00 0.00 C ATOM 805 O THR A 64 -5.044 3.757 -13.940 1.00 0.00 O ATOM 806 CB THR A 64 -3.135 6.281 -13.438 1.00 0.00 C ATOM 807 OG1 THR A 64 -1.986 5.532 -13.780 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.440 5.780 -11.984 1.00 0.00 C ATOM 0 H THR A 64 -6.243 5.918 -13.897 1.00 0.00 H new ATOM 0 HA THR A 64 -3.839 6.319 -15.511 1.00 0.00 H new ATOM 0 HB THR A 64 -3.087 7.370 -13.414 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.336 5.578 -13.048 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.640 6.097 -11.315 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.386 6.202 -11.645 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.506 4.692 -11.980 1.00 0.00 H new ATOM 816 N SER A 65 -3.551 3.810 -15.664 1.00 0.00 N ATOM 817 CA SER A 65 -3.518 2.317 -15.955 1.00 0.00 C ATOM 818 C SER A 65 -2.403 1.618 -15.143 1.00 0.00 C ATOM 819 O SER A 65 -1.260 2.040 -15.236 1.00 0.00 O ATOM 820 CB SER A 65 -3.183 2.154 -17.450 1.00 0.00 C ATOM 821 OG SER A 65 -2.650 0.841 -17.547 1.00 0.00 O ATOM 0 H SER A 65 -2.944 4.355 -16.276 1.00 0.00 H new ATOM 0 HA SER A 65 -4.478 1.874 -15.689 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.071 2.270 -18.072 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.462 2.902 -17.780 1.00 0.00 H new ATOM 0 HG SER A 65 -2.409 0.654 -18.478 1.00 0.00 H new ATOM 827 N VAL A 66 -2.800 0.588 -14.358 1.00 0.00 N ATOM 828 CA VAL A 66 -1.863 -0.250 -13.466 1.00 0.00 C ATOM 829 C VAL A 66 -1.921 -1.693 -14.033 1.00 0.00 C ATOM 830 O VAL A 66 -2.937 -2.064 -14.601 1.00 0.00 O ATOM 831 CB VAL A 66 -2.421 -0.141 -11.934 1.00 0.00 C ATOM 832 CG1 VAL A 66 -1.973 -1.339 -10.952 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.034 1.271 -11.287 1.00 0.00 C ATOM 0 H VAL A 66 -3.773 0.289 -14.302 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.826 0.086 -13.459 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.503 -0.232 -12.029 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.394 -1.174 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.336 -2.288 -11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.885 -1.366 -10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.416 1.321 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.950 1.380 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.473 2.075 -11.878 1.00 0.00 H new ATOM 843 N VAL A 67 -0.792 -2.415 -13.865 1.00 0.00 N ATOM 844 CA VAL A 67 -0.591 -3.863 -14.329 1.00 0.00 C ATOM 845 C VAL A 67 -0.144 -4.599 -13.042 1.00 0.00 C ATOM 846 O VAL A 67 0.589 -4.007 -12.266 1.00 0.00 O ATOM 847 CB VAL A 67 0.559 -3.982 -15.476 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.469 -5.365 -16.294 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.531 -2.736 -16.473 1.00 0.00 C ATOM 0 H VAL A 67 0.032 -2.032 -13.402 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.494 -4.277 -14.778 1.00 0.00 H new ATOM 0 HB VAL A 67 1.514 -3.975 -14.951 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.257 -5.395 -17.046 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.591 -6.203 -15.607 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.502 -5.436 -16.783 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.313 -2.853 -17.223 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.440 -2.686 -16.966 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.701 -1.817 -15.912 1.00 0.00 H new ATOM 859 N VAL A 68 -0.651 -5.839 -12.854 1.00 0.00 N ATOM 860 CA VAL A 68 -0.315 -6.709 -11.630 1.00 0.00 C ATOM 861 C VAL A 68 -0.188 -8.221 -12.001 1.00 0.00 C ATOM 862 O VAL A 68 -1.098 -8.801 -12.569 1.00 0.00 O ATOM 863 CB VAL A 68 -1.429 -6.578 -10.466 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.041 -5.492 -9.358 1.00 0.00 C ATOM 865 CG2 VAL A 68 -2.907 -6.335 -11.028 1.00 0.00 C ATOM 0 H VAL A 68 -1.292 -6.285 -13.510 1.00 0.00 H new ATOM 0 HA VAL A 68 0.643 -6.336 -11.267 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.439 -7.551 -9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.825 -5.447 -8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.099 -5.773 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.934 -4.515 -9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.605 -6.256 -10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.929 -5.412 -11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.196 -7.171 -11.665 1.00 0.00 H new ATOM 875 N ARG A 69 0.972 -8.783 -11.640 1.00 0.00 N ATOM 876 CA ARG A 69 1.344 -10.237 -11.883 1.00 0.00 C ATOM 877 C ARG A 69 0.896 -11.077 -10.676 1.00 0.00 C ATOM 878 O ARG A 69 0.589 -10.520 -9.634 1.00 0.00 O ATOM 879 CB ARG A 69 2.917 -10.352 -11.998 1.00 0.00 C ATOM 880 CG ARG A 69 3.661 -9.271 -12.894 1.00 0.00 C ATOM 881 CD ARG A 69 3.090 -9.048 -14.329 1.00 0.00 C ATOM 882 NE ARG A 69 4.171 -8.449 -15.162 1.00 0.00 N ATOM 883 CZ ARG A 69 4.210 -8.706 -16.441 1.00 0.00 C ATOM 884 NH1 ARG A 69 3.285 -8.205 -17.213 1.00 0.00 N ATOM 885 NH2 ARG A 69 5.171 -9.457 -16.904 1.00 0.00 N ATOM 0 H ARG A 69 1.707 -8.260 -11.164 1.00 0.00 H new ATOM 0 HA ARG A 69 0.864 -10.590 -12.796 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.334 -10.301 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.155 -11.340 -12.393 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.641 -8.317 -12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.707 -9.563 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.756 -9.993 -14.758 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.223 -8.388 -14.297 1.00 0.00 H new ATOM 0 HE ARG A 69 4.874 -7.844 -14.737 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.548 -7.623 -16.814 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.299 -8.395 -18.215 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.876 -9.833 -16.269 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.218 -9.669 -17.901 1.00 0.00 H new ATOM 899 N ARG A 70 0.872 -12.399 -10.873 1.00 0.00 N ATOM 900 CA ARG A 70 0.459 -13.395 -9.804 1.00 0.00 C ATOM 901 C ARG A 70 1.467 -13.459 -8.627 1.00 0.00 C ATOM 902 O ARG A 70 1.054 -13.792 -7.526 1.00 0.00 O ATOM 903 CB ARG A 70 0.407 -14.778 -10.546 1.00 0.00 C ATOM 904 CG ARG A 70 -0.039 -16.045 -9.659 1.00 0.00 C ATOM 905 CD ARG A 70 -0.636 -17.210 -10.504 1.00 0.00 C ATOM 906 NE ARG A 70 -0.688 -18.419 -9.636 1.00 0.00 N ATOM 907 CZ ARG A 70 -0.670 -19.603 -10.184 1.00 0.00 C ATOM 908 NH1 ARG A 70 -1.788 -20.109 -10.628 1.00 0.00 N ATOM 909 NH2 ARG A 70 0.465 -20.241 -10.270 1.00 0.00 N ATOM 0 H ARG A 70 1.130 -12.834 -11.759 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.493 -13.110 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.281 -14.690 -11.387 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.394 -14.981 -10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.824 -16.413 -9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.777 -15.723 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.633 -16.952 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.022 -17.398 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.737 -18.322 -8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.656 -19.580 -10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.794 -21.033 -11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.319 -19.813 -9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.498 -21.168 -10.695 1.00 0.00 H new ATOM 923 N SER A 71 2.743 -13.184 -8.930 1.00 0.00 N ATOM 924 CA SER A 71 3.876 -13.199 -7.904 1.00 0.00 C ATOM 925 C SER A 71 4.882 -12.088 -8.195 1.00 0.00 C ATOM 926 O SER A 71 5.120 -11.795 -9.353 1.00 0.00 O ATOM 927 CB SER A 71 4.606 -14.543 -8.021 1.00 0.00 C ATOM 928 OG SER A 71 4.272 -15.009 -9.321 1.00 0.00 O ATOM 0 H SER A 71 3.051 -12.944 -9.872 1.00 0.00 H new ATOM 0 HA SER A 71 3.458 -13.052 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.683 -14.422 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.279 -15.242 -7.251 1.00 0.00 H new ATOM 0 HG SER A 71 4.705 -15.874 -9.480 1.00 0.00 H new ATOM 934 N PHE A 72 5.431 -11.498 -7.115 1.00 0.00 N ATOM 935 CA PHE A 72 6.448 -10.370 -7.233 1.00 0.00 C ATOM 936 C PHE A 72 7.341 -10.278 -5.992 1.00 0.00 C ATOM 937 O PHE A 72 6.910 -10.618 -4.900 1.00 0.00 O ATOM 938 CB PHE A 72 5.687 -9.005 -7.452 1.00 0.00 C ATOM 939 CG PHE A 72 4.320 -8.910 -6.606 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.314 -8.538 -5.231 1.00 0.00 C ATOM 941 CD2 PHE A 72 3.048 -9.210 -7.179 1.00 0.00 C ATOM 942 CE1 PHE A 72 3.136 -8.490 -4.516 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.898 -9.146 -6.424 1.00 0.00 C ATOM 944 CZ PHE A 72 1.943 -8.791 -5.107 1.00 0.00 C ATOM 0 H PHE A 72 5.209 -11.760 -6.155 1.00 0.00 H new ATOM 0 HA PHE A 72 7.093 -10.580 -8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.341 -8.180 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.462 -8.886 -8.512 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.245 -8.290 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.986 -9.491 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.158 -8.210 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.948 -9.380 -6.880 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.031 -8.748 -4.530 1.00 0.00 H new ATOM 954 N THR A 73 8.576 -9.828 -6.237 1.00 0.00 N ATOM 955 CA THR A 73 9.618 -9.655 -5.174 1.00 0.00 C ATOM 956 C THR A 73 9.245 -8.457 -4.276 1.00 0.00 C ATOM 957 O THR A 73 9.425 -7.316 -4.674 1.00 0.00 O ATOM 958 CB THR A 73 10.963 -9.412 -5.947 1.00 0.00 C ATOM 959 OG1 THR A 73 11.297 -10.694 -6.447 1.00 0.00 O ATOM 960 CG2 THR A 73 12.231 -9.039 -5.093 1.00 0.00 C ATOM 0 H THR A 73 8.898 -9.569 -7.169 1.00 0.00 H new ATOM 0 HA THR A 73 9.703 -10.520 -4.517 1.00 0.00 H new ATOM 0 HB THR A 73 10.777 -8.585 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.135 -10.640 -6.953 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.087 -8.900 -5.754 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.042 -8.116 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.444 -9.842 -4.388 1.00 0.00 H new ATOM 968 N GLY A 74 8.745 -8.780 -3.083 1.00 0.00 N ATOM 969 CA GLY A 74 8.325 -7.739 -2.071 1.00 0.00 C ATOM 970 C GLY A 74 9.563 -7.056 -1.451 1.00 0.00 C ATOM 971 O GLY A 74 10.638 -7.640 -1.484 1.00 0.00 O ATOM 0 H GLY A 74 8.611 -9.741 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.692 -6.992 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.729 -8.206 -1.287 1.00 0.00 H new ATOM 975 N TYR A 75 9.349 -5.842 -0.919 1.00 0.00 N ATOM 976 CA TYR A 75 10.436 -5.013 -0.265 1.00 0.00 C ATOM 977 C TYR A 75 9.887 -4.291 0.978 1.00 0.00 C ATOM 978 O TYR A 75 8.937 -3.525 0.862 1.00 0.00 O ATOM 979 CB TYR A 75 10.881 -3.979 -1.334 1.00 0.00 C ATOM 980 CG TYR A 75 11.700 -2.751 -0.712 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.022 -2.923 -0.239 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.171 -1.427 -0.639 1.00 0.00 C ATOM 983 CE1 TYR A 75 13.747 -1.857 0.256 1.00 0.00 C ATOM 984 CE2 TYR A 75 11.929 -0.390 -0.137 1.00 0.00 C ATOM 985 CZ TYR A 75 13.211 -0.595 0.311 1.00 0.00 C ATOM 986 OH TYR A 75 13.951 0.457 0.811 1.00 0.00 O ATOM 0 H TYR A 75 8.435 -5.389 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 75 11.268 -5.635 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.498 -4.479 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.001 -3.597 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.472 -3.904 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.165 -1.235 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.755 -2.020 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 75 11.506 0.603 -0.095 1.00 0.00 H new ATOM 0 HH TYR A 75 13.418 1.278 0.775 1.00 0.00 H new ATOM 996 N VAL A 76 10.528 -4.575 2.124 1.00 0.00 N ATOM 997 CA VAL A 76 10.161 -3.980 3.470 1.00 0.00 C ATOM 998 C VAL A 76 10.604 -2.481 3.376 1.00 0.00 C ATOM 999 O VAL A 76 11.706 -2.220 2.920 1.00 0.00 O ATOM 1000 CB VAL A 76 10.935 -4.884 4.571 1.00 0.00 C ATOM 1001 CG1 VAL A 76 11.000 -4.223 6.015 1.00 0.00 C ATOM 1002 CG2 VAL A 76 10.282 -6.355 4.662 1.00 0.00 C ATOM 0 H VAL A 76 11.317 -5.220 2.170 1.00 0.00 H new ATOM 0 HA VAL A 76 9.108 -3.988 3.752 1.00 0.00 H new ATOM 0 HB VAL A 76 11.965 -4.959 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.533 -4.887 6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.524 -3.269 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.988 -4.059 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.816 -6.945 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.234 -6.271 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.353 -6.845 3.691 1.00 0.00 H new ATOM 1055 N GLY A 80 15.658 -3.506 5.227 1.00 0.00 N ATOM 1056 CA GLY A 80 15.621 -4.980 4.872 1.00 0.00 C ATOM 1057 C GLY A 80 15.355 -5.806 6.185 1.00 0.00 C ATOM 1058 O GLY A 80 15.015 -5.153 7.160 1.00 0.00 O ATOM 0 HA2 GLY A 80 14.838 -5.173 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.565 -5.284 4.419 1.00 0.00 H new ATOM 1062 N PRO A 81 15.476 -7.204 6.250 1.00 0.00 N ATOM 1063 CA PRO A 81 15.848 -8.186 5.141 1.00 0.00 C ATOM 1064 C PRO A 81 14.733 -8.381 4.106 1.00 0.00 C ATOM 1065 O PRO A 81 13.568 -8.277 4.457 1.00 0.00 O ATOM 1066 CB PRO A 81 16.030 -9.538 5.862 1.00 0.00 C ATOM 1067 CG PRO A 81 15.515 -9.392 7.302 1.00 0.00 C ATOM 1068 CD PRO A 81 15.242 -7.910 7.560 1.00 0.00 C ATOM 0 HA PRO A 81 16.724 -7.816 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.482 -10.323 5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.080 -9.829 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.606 -9.977 7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.251 -9.772 8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.220 -7.757 7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.903 -7.522 8.335 1.00 0.00 H new ATOM 1076 N GLU A 82 15.147 -8.670 2.864 1.00 0.00 N ATOM 1077 CA GLU A 82 14.192 -8.898 1.715 1.00 0.00 C ATOM 1078 C GLU A 82 13.492 -10.267 1.917 1.00 0.00 C ATOM 1079 O GLU A 82 14.161 -11.234 2.252 1.00 0.00 O ATOM 1080 CB GLU A 82 15.082 -8.892 0.416 1.00 0.00 C ATOM 1081 CG GLU A 82 14.328 -9.171 -0.929 1.00 0.00 C ATOM 1082 CD GLU A 82 15.081 -8.451 -2.050 1.00 0.00 C ATOM 1083 OE1 GLU A 82 16.090 -8.997 -2.460 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.602 -7.395 -2.431 1.00 0.00 O ATOM 0 H GLU A 82 16.130 -8.756 2.607 1.00 0.00 H new ATOM 0 HA GLU A 82 13.414 -8.138 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.574 -7.922 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.867 -9.640 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.284 -10.242 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.299 -8.815 -0.871 1.00 0.00 H new ATOM 1091 N VAL A 83 12.177 -10.287 1.663 1.00 0.00 N ATOM 1092 CA VAL A 83 11.322 -11.543 1.810 1.00 0.00 C ATOM 1093 C VAL A 83 11.463 -12.488 0.601 1.00 0.00 C ATOM 1094 O VAL A 83 11.432 -13.697 0.787 1.00 0.00 O ATOM 1095 CB VAL A 83 9.766 -11.162 2.009 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.397 -11.008 3.556 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.278 -9.883 1.179 1.00 0.00 C ATOM 0 H VAL A 83 11.654 -9.467 1.354 1.00 0.00 H new ATOM 0 HA VAL A 83 11.687 -12.064 2.695 1.00 0.00 H new ATOM 0 HB VAL A 83 9.218 -12.006 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.342 -10.751 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.591 -11.948 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.005 -10.219 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.221 -9.704 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.857 -9.010 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.424 -10.063 0.114 1.00 0.00 H new ATOM 1107 N GLY A 84 11.577 -11.899 -0.579 1.00 0.00 N ATOM 1108 CA GLY A 84 11.728 -12.643 -1.871 1.00 0.00 C ATOM 1109 C GLY A 84 10.356 -12.902 -2.474 1.00 0.00 C ATOM 1110 O GLY A 84 9.371 -12.335 -2.029 1.00 0.00 O ATOM 0 H GLY A 84 11.570 -10.886 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.338 -12.066 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.245 -13.587 -1.700 1.00 0.00 H new ATOM 1114 N ALA A 85 10.378 -13.722 -3.497 1.00 0.00 N ATOM 1115 CA ALA A 85 9.145 -14.127 -4.258 1.00 0.00 C ATOM 1116 C ALA A 85 8.101 -14.881 -3.407 1.00 0.00 C ATOM 1117 O ALA A 85 8.395 -15.963 -2.912 1.00 0.00 O ATOM 1118 CB ALA A 85 9.606 -15.050 -5.402 1.00 0.00 C ATOM 0 H ALA A 85 11.235 -14.146 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 85 8.654 -13.219 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.741 -15.369 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.298 -14.510 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.106 -15.924 -4.985 1.00 0.00 H new ATOM 1124 N VAL A 86 6.947 -14.202 -3.210 1.00 0.00 N ATOM 1125 CA VAL A 86 5.762 -14.726 -2.416 1.00 0.00 C ATOM 1126 C VAL A 86 4.497 -14.520 -3.290 1.00 0.00 C ATOM 1127 O VAL A 86 4.387 -13.500 -3.957 1.00 0.00 O ATOM 1128 CB VAL A 86 5.714 -13.983 -0.974 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.292 -12.439 -1.026 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.861 -14.798 0.106 1.00 0.00 C ATOM 0 H VAL A 86 6.790 -13.269 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 86 5.836 -15.790 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 86 6.752 -13.979 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.288 -12.029 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.005 -11.887 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.295 -12.349 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.861 -14.258 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.836 -14.909 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.304 -15.783 0.251 1.00 0.00 H new ATOM 1140 N ASP A 87 3.610 -15.517 -3.243 1.00 0.00 N ATOM 1141 CA ASP A 87 2.313 -15.510 -4.026 1.00 0.00 C ATOM 1142 C ASP A 87 1.168 -14.947 -3.173 1.00 0.00 C ATOM 1143 O ASP A 87 1.188 -15.106 -1.957 1.00 0.00 O ATOM 1144 CB ASP A 87 1.964 -16.976 -4.397 1.00 0.00 C ATOM 1145 CG ASP A 87 3.243 -17.789 -4.625 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.780 -17.662 -5.711 1.00 0.00 O ATOM 1147 OD2 ASP A 87 3.604 -18.500 -3.701 1.00 0.00 O ATOM 0 H ASP A 87 3.742 -16.355 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 87 2.435 -14.890 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.375 -17.429 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.349 -16.993 -5.297 1.00 0.00 H new ATOM 1152 N CYS A 88 0.217 -14.298 -3.857 1.00 0.00 N ATOM 1153 CA CYS A 88 -0.999 -13.669 -3.217 1.00 0.00 C ATOM 1154 C CYS A 88 -2.158 -14.709 -3.162 1.00 0.00 C ATOM 1155 O CYS A 88 -3.126 -14.638 -3.904 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.345 -12.424 -4.087 1.00 0.00 C ATOM 1157 SG CYS A 88 -2.754 -11.389 -3.597 1.00 0.00 S ATOM 0 H CYS A 88 0.247 -14.181 -4.870 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.823 -13.359 -2.187 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.461 -11.787 -4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.526 -12.771 -5.104 1.00 0.00 H new ATOM 1162 N ASP A 89 -1.966 -15.696 -2.277 1.00 0.00 N ATOM 1163 CA ASP A 89 -2.963 -16.827 -2.049 1.00 0.00 C ATOM 1164 C ASP A 89 -2.688 -17.515 -0.707 1.00 0.00 C ATOM 1165 O ASP A 89 -3.625 -17.918 -0.032 1.00 0.00 O ATOM 1166 CB ASP A 89 -2.797 -17.924 -3.144 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.861 -17.788 -4.245 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -4.947 -18.303 -4.021 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -3.519 -17.205 -5.260 1.00 0.00 O ATOM 0 H ASP A 89 -1.135 -15.761 -1.690 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.961 -16.390 -2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.803 -17.851 -3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.870 -18.910 -2.686 1.00 0.00 H new ATOM 1174 N THR A 90 -1.412 -17.549 -0.340 1.00 0.00 N ATOM 1175 CA THR A 90 -0.949 -18.194 0.955 1.00 0.00 C ATOM 1176 C THR A 90 -1.186 -17.260 2.150 1.00 0.00 C ATOM 1177 O THR A 90 -1.379 -17.749 3.258 1.00 0.00 O ATOM 1178 CB THR A 90 0.595 -18.441 0.867 1.00 0.00 C ATOM 1179 OG1 THR A 90 1.125 -17.312 0.199 1.00 0.00 O ATOM 1180 CG2 THR A 90 1.022 -19.643 -0.032 1.00 0.00 C ATOM 0 H THR A 90 -0.657 -17.148 -0.896 1.00 0.00 H new ATOM 0 HA THR A 90 -1.506 -19.120 1.093 1.00 0.00 H new ATOM 0 HB THR A 90 0.941 -18.631 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.097 -17.408 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.108 -19.732 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.581 -20.562 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.675 -19.476 -1.052 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.189 -15.951 1.878 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.409 -14.909 2.960 1.00 0.00 C ATOM 1190 C ALA A 91 -2.895 -14.979 3.527 1.00 0.00 C ATOM 1191 O ALA A 91 -3.747 -15.246 2.695 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.254 -13.526 2.302 1.00 0.00 C ATOM 0 H ALA A 91 -1.047 -15.564 0.945 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.699 -15.082 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.406 -12.748 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.253 -13.434 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.993 -13.416 1.509 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.244 -14.730 4.872 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.681 -14.816 5.331 1.00 0.00 C ATOM 1200 C PRO A 92 -5.533 -13.624 4.849 1.00 0.00 C ATOM 1201 O PRO A 92 -6.632 -13.829 4.357 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.600 -14.771 6.874 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.234 -14.172 7.242 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.327 -14.355 6.022 1.00 0.00 C ATOM 0 HA PRO A 92 -5.153 -15.714 4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.408 -14.165 7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.707 -15.771 7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.331 -13.117 7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.814 -14.673 8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.780 -13.439 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.586 -15.134 6.200 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.975 -12.420 4.988 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.672 -11.144 4.572 1.00 0.00 C ATOM 1214 C GLY A 93 -5.757 -10.987 3.050 1.00 0.00 C ATOM 1215 O GLY A 93 -6.795 -10.597 2.541 1.00 0.00 O ATOM 0 H GLY A 93 -4.045 -12.274 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.678 -11.131 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.140 -10.290 4.992 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.632 -11.251 2.391 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.517 -11.152 0.880 1.00 0.00 C ATOM 1221 C GLY A 94 -4.283 -9.699 0.419 1.00 0.00 C ATOM 1222 O GLY A 94 -4.298 -8.779 1.224 1.00 0.00 O ATOM 0 H GLY A 94 -3.768 -11.538 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.695 -11.780 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.427 -11.538 0.420 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.068 -9.564 -0.883 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.816 -8.229 -1.539 1.00 0.00 C ATOM 1228 C CYS A 95 -5.077 -7.339 -1.562 1.00 0.00 C ATOM 1229 O CYS A 95 -6.175 -7.862 -1.674 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.405 -8.533 -2.985 1.00 0.00 C ATOM 1231 SG CYS A 95 -1.952 -9.576 -3.228 1.00 0.00 S ATOM 0 H CYS A 95 -4.057 -10.350 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.052 -7.688 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.250 -9.009 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.229 -7.585 -3.493 1.00 0.00 H new ATOM 1236 N GLU A 96 -4.850 -6.018 -1.425 1.00 0.00 N ATOM 1237 CA GLU A 96 -5.942 -4.950 -1.418 1.00 0.00 C ATOM 1238 C GLU A 96 -5.369 -3.663 -2.049 1.00 0.00 C ATOM 1239 O GLU A 96 -4.269 -3.275 -1.691 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.284 -4.554 0.065 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.411 -5.379 0.744 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.320 -5.156 2.255 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -7.835 -4.137 2.683 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -6.740 -6.018 2.895 1.00 0.00 O ATOM 0 H GLU A 96 -3.913 -5.632 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.812 -5.337 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.379 -4.650 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.569 -3.502 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.387 -5.068 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.302 -6.438 0.508 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.142 -3.045 -2.959 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.729 -1.766 -3.668 1.00 0.00 C ATOM 1253 C ILE A 97 -6.034 -0.666 -2.619 1.00 0.00 C ATOM 1254 O ILE A 97 -7.035 -0.784 -1.928 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.621 -1.546 -5.007 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.934 -2.890 -5.857 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -6.027 -0.371 -5.957 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.748 -3.878 -6.145 1.00 0.00 C ATOM 0 H ILE A 97 -7.060 -3.390 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.689 -1.769 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.589 -1.223 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.709 -3.445 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.356 -2.587 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.658 -0.262 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.009 0.569 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.014 -0.630 -6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.114 -4.727 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.973 -3.361 -6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.332 -4.232 -5.202 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.087 0.291 -2.452 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.201 1.463 -1.465 1.00 0.00 C ATOM 1272 C VAL A 98 -4.779 2.724 -2.270 1.00 0.00 C ATOM 1273 O VAL A 98 -3.817 2.679 -3.028 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.232 1.301 -0.160 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.628 2.305 1.043 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.206 -0.195 0.371 1.00 0.00 C ATOM 0 H VAL A 98 -4.215 0.298 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.217 1.518 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.232 1.571 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.950 2.152 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.550 3.336 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.651 2.105 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.551 -0.262 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.214 -0.498 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.835 -0.854 -0.415 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.611 3.767 -2.120 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.462 5.140 -2.773 1.00 0.00 C ATOM 1288 C VAL A 99 -5.670 6.106 -1.570 1.00 0.00 C ATOM 1289 O VAL A 99 -6.503 5.831 -0.715 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.605 5.397 -3.908 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.299 6.693 -4.811 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.819 4.114 -4.834 1.00 0.00 C ATOM 0 H VAL A 99 -6.441 3.708 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.510 5.263 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.530 5.587 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.091 6.817 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.254 7.577 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.344 6.564 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.588 4.326 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.884 3.870 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.131 3.270 -4.219 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.880 7.176 -1.519 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.984 8.190 -0.400 1.00 0.00 C ATOM 1304 C GLY A 100 -3.972 9.311 -0.614 1.00 0.00 C ATOM 1305 O GLY A 100 -2.876 9.051 -1.088 1.00 0.00 O ATOM 0 H GLY A 100 -4.163 7.387 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.993 8.602 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.804 7.705 0.559 1.00 0.00 H new ATOM 1309 N GLY A 101 -4.362 10.526 -0.212 1.00 0.00 N ATOM 1310 CA GLY A 101 -3.488 11.738 -0.349 1.00 0.00 C ATOM 1311 C GLY A 101 -2.350 11.757 0.669 1.00 0.00 C ATOM 1312 O GLY A 101 -2.299 10.934 1.576 1.00 0.00 O ATOM 0 H GLY A 101 -5.270 10.715 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.071 11.769 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.095 12.635 -0.227 1.00 0.00 H new ATOM 1316 N ASN A 102 -1.514 12.777 0.514 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.320 12.991 1.406 1.00 0.00 C ATOM 1318 C ASN A 102 -0.715 13.481 2.816 1.00 0.00 C ATOM 1319 O ASN A 102 0.051 13.276 3.748 1.00 0.00 O ATOM 1320 CB ASN A 102 0.601 14.048 0.734 1.00 0.00 C ATOM 1321 CG ASN A 102 -0.142 15.366 0.458 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.837 15.509 -0.529 1.00 0.00 O ATOM 1323 ND2 ASN A 102 -0.008 16.359 1.297 1.00 0.00 N ATOM 0 H ASN A 102 -1.619 13.484 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 102 0.190 12.036 1.531 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.459 14.243 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.990 13.648 -0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -0.484 17.244 1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.573 16.249 2.128 1.00 0.00 H new ATOM 1330 N THR A 103 -1.918 14.075 2.924 1.00 0.00 N ATOM 1331 CA THR A 103 -2.442 14.612 4.241 1.00 0.00 C ATOM 1332 C THR A 103 -2.801 13.492 5.238 1.00 0.00 C ATOM 1333 O THR A 103 -2.161 13.443 6.279 1.00 0.00 O ATOM 1334 CB THR A 103 -3.715 15.481 3.988 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.424 14.827 2.952 1.00 0.00 O ATOM 1336 CG2 THR A 103 -3.425 16.905 3.406 1.00 0.00 C ATOM 0 H THR A 103 -2.556 14.205 2.138 1.00 0.00 H new ATOM 0 HA THR A 103 -1.642 15.209 4.679 1.00 0.00 H new ATOM 0 HB THR A 103 -4.223 15.592 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.241 15.328 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.365 17.438 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.796 17.461 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.912 16.809 2.449 1.00 0.00 H new ATOM 1344 N GLY A 104 -3.766 12.606 4.902 1.00 0.00 N ATOM 1345 CA GLY A 104 -4.142 11.494 5.872 1.00 0.00 C ATOM 1346 C GLY A 104 -5.372 10.675 5.452 1.00 0.00 C ATOM 1347 O GLY A 104 -5.791 9.840 6.237 1.00 0.00 O ATOM 0 H GLY A 104 -4.286 12.614 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.292 10.820 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.329 11.932 6.853 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.903 10.911 4.244 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.128 10.146 3.735 1.00 0.00 C ATOM 1353 C GLU A 105 -6.767 8.686 3.392 1.00 0.00 C ATOM 1354 O GLU A 105 -5.599 8.359 3.247 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.669 10.804 2.415 1.00 0.00 C ATOM 1356 CG GLU A 105 -7.826 12.347 2.480 1.00 0.00 C ATOM 1357 CD GLU A 105 -8.934 12.752 1.499 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -8.697 12.609 0.311 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -9.963 13.180 1.998 1.00 0.00 O ATOM 0 H GLU A 105 -5.538 11.603 3.589 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.876 10.176 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.993 10.555 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.637 10.363 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.079 12.662 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.888 12.837 2.219 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.811 7.853 3.331 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.703 6.374 3.008 1.00 0.00 C ATOM 1368 C TYR A 106 -9.022 5.918 2.367 1.00 0.00 C ATOM 1369 O TYR A 106 -10.035 6.576 2.544 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.413 5.529 4.316 1.00 0.00 C ATOM 1371 CG TYR A 106 -8.514 5.746 5.468 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -8.415 6.810 6.399 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -9.602 4.846 5.661 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -9.322 6.943 7.430 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -10.487 5.015 6.706 1.00 0.00 C ATOM 1376 CZ TYR A 106 -10.355 6.055 7.590 1.00 0.00 C ATOM 1377 OH TYR A 106 -11.251 6.207 8.628 1.00 0.00 O ATOM 0 H TYR A 106 -8.769 8.159 3.500 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.874 6.214 2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.373 4.471 4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.431 5.799 4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.616 7.529 6.300 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.736 4.019 4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.217 7.763 8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.300 4.314 6.830 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.919 5.491 8.591 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.956 4.825 1.613 1.00 0.00 N ATOM 1388 CA GLY A 107 -10.169 4.261 0.925 1.00 0.00 C ATOM 1389 C GLY A 107 -9.824 2.916 0.283 1.00 0.00 C ATOM 1390 O GLY A 107 -9.544 2.857 -0.903 1.00 0.00 O ATOM 0 H GLY A 107 -8.098 4.299 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.979 4.134 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.523 4.957 0.164 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.872 1.878 1.116 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.568 0.463 0.684 1.00 0.00 C ATOM 1396 C ASN A 108 -10.660 -0.106 -0.243 1.00 0.00 C ATOM 1397 O ASN A 108 -11.783 0.376 -0.210 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.534 -0.397 1.960 1.00 0.00 C ATOM 1399 CG ASN A 108 -8.524 0.198 2.944 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -7.331 0.005 2.818 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -8.958 0.925 3.937 1.00 0.00 N ATOM 0 H ASN A 108 -10.117 1.963 2.103 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.625 0.454 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.524 -0.433 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.259 -1.423 1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -8.297 1.327 4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -9.958 1.091 4.049 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.276 -1.100 -1.064 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.233 -1.774 -2.044 1.00 0.00 C ATOM 1410 C ALA A 109 -10.698 -3.174 -2.451 1.00 0.00 C ATOM 1411 O ALA A 109 -9.812 -3.290 -3.290 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.393 -0.877 -3.313 1.00 0.00 C ATOM 0 H ALA A 109 -9.327 -1.472 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.202 -1.901 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.076 -1.357 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.793 0.095 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.421 -0.742 -3.788 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.238 -4.200 -1.779 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.855 -5.638 -2.031 1.00 0.00 C ATOM 1420 C ALA A 110 -11.394 -6.141 -3.376 1.00 0.00 C ATOM 1421 O ALA A 110 -12.417 -5.649 -3.829 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.500 -6.481 -0.919 1.00 0.00 C ATOM 0 H ALA A 110 -11.944 -4.083 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.768 -5.719 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.247 -7.531 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.129 -6.150 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.583 -6.361 -0.953 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.652 -7.108 -3.948 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.957 -7.783 -5.283 1.00 0.00 C ATOM 1430 C ILE A 111 -11.336 -9.270 -4.991 1.00 0.00 C ATOM 1431 O ILE A 111 -11.309 -9.629 -3.824 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.650 -7.575 -6.258 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -8.170 -7.777 -5.578 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.723 -6.080 -6.889 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -7.906 -9.092 -4.787 1.00 0.00 C ATOM 0 H ILE A 111 -9.804 -7.468 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.806 -7.350 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.724 -8.374 -6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.425 -7.708 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.995 -6.939 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.865 -5.918 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.642 -5.973 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.712 -5.345 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.888 -9.084 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.612 -9.167 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.033 -9.947 -5.450 1.00 0.00 H new ATOM 1447 N SER A 112 -11.712 -10.062 -6.021 1.00 0.00 N ATOM 1448 CA SER A 112 -12.096 -11.527 -5.831 1.00 0.00 C ATOM 1449 C SER A 112 -11.837 -12.329 -7.123 1.00 0.00 C ATOM 1450 O SER A 112 -12.491 -12.092 -8.123 1.00 0.00 O ATOM 1451 CB SER A 112 -13.605 -11.601 -5.500 1.00 0.00 C ATOM 1452 OG SER A 112 -13.681 -11.350 -4.104 1.00 0.00 O ATOM 0 H SER A 112 -11.765 -9.741 -6.988 1.00 0.00 H new ATOM 0 HA SER A 112 -11.496 -11.950 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.171 -10.862 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.018 -12.579 -5.750 1.00 0.00 H new ATOM 0 HG SER A 112 -12.902 -10.826 -3.823 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.878 -13.264 -7.048 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.498 -14.139 -8.224 1.00 0.00 C ATOM 1460 C PHE A 113 -11.605 -15.158 -8.537 1.00 0.00 C ATOM 1461 O PHE A 113 -12.377 -15.512 -7.657 1.00 0.00 O ATOM 1462 CB PHE A 113 -9.223 -14.939 -7.844 1.00 0.00 C ATOM 1463 CG PHE A 113 -8.111 -13.983 -7.215 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -7.290 -13.172 -8.040 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.870 -13.915 -5.812 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -6.309 -12.372 -7.496 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.876 -13.100 -5.309 1.00 0.00 C ATOM 1468 CZ PHE A 113 -6.104 -12.336 -6.144 1.00 0.00 C ATOM 0 H PHE A 113 -10.341 -13.451 -6.202 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.339 -13.501 -9.093 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.480 -15.722 -7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.823 -15.434 -8.729 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.436 -13.182 -9.110 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.470 -14.506 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.694 -11.766 -8.145 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.705 -13.064 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.331 -11.703 -5.733 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.641 -15.586 -9.792 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.665 -16.585 -10.263 1.00 0.00 C ATOM 1480 C GLY A 114 -12.452 -16.880 -11.748 1.00 0.00 C ATOM 1481 O GLY A 114 -13.459 -17.058 -12.414 1.00 0.00 O ATOM 1482 OXT GLY A 114 -11.295 -16.911 -12.135 1.00 0.00 O ATOM 0 H GLY A 114 -10.992 -15.277 -10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.583 -17.505 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.670 -16.195 -10.100 1.00 0.00 H new