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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 ASN : amide:sc= 0.0574 K(o=0.057,f=-1.2!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 SER OG : rot -84:sc= 0.565 USER MOD Single : A 8 SER OG : rot 49:sc= 0.185 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 34:sc= 0.461 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 48 ASN : amide:sc= -3.66! K(o=-3.7!,f=0.072) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 29:sc= 0.409 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= 0.0627 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.0315 K(o=0.032,f=-1.1) USER MOD Single : A 112 SER OG : rot 53:sc= 0.0361 USER MOD ----------------------------------------------------------------- ATOM 24 N ALA A 3 -14.750 11.006 -0.396 1.00 0.00 N ATOM 25 CA ALA A 3 -14.467 11.023 -1.884 1.00 0.00 C ATOM 26 C ALA A 3 -14.896 9.686 -2.498 1.00 0.00 C ATOM 27 O ALA A 3 -14.618 8.649 -1.915 1.00 0.00 O ATOM 28 CB ALA A 3 -12.949 11.177 -2.137 1.00 0.00 C ATOM 0 HA ALA A 3 -15.013 11.855 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.758 11.188 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.600 12.111 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -12.418 10.341 -1.683 1.00 0.00 H new ATOM 34 N ALA A 4 -15.506 9.757 -3.684 1.00 0.00 N ATOM 35 CA ALA A 4 -15.991 8.529 -4.415 1.00 0.00 C ATOM 36 C ALA A 4 -14.830 7.837 -5.136 1.00 0.00 C ATOM 37 O ALA A 4 -14.054 8.520 -5.787 1.00 0.00 O ATOM 38 CB ALA A 4 -16.991 8.990 -5.486 1.00 0.00 C ATOM 0 H ALA A 4 -15.686 10.633 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.438 7.837 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.362 8.124 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.826 9.502 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.495 9.672 -6.177 1.00 0.00 H new ATOM 44 N VAL A 5 -14.741 6.504 -4.946 1.00 0.00 N ATOM 45 CA VAL A 5 -13.677 5.606 -5.557 1.00 0.00 C ATOM 46 C VAL A 5 -14.476 4.423 -6.142 1.00 0.00 C ATOM 47 O VAL A 5 -15.509 4.058 -5.596 1.00 0.00 O ATOM 48 CB VAL A 5 -12.633 5.021 -4.451 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.237 4.558 -5.099 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.381 6.035 -3.251 1.00 0.00 C ATOM 0 H VAL A 5 -15.402 5.993 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.080 6.159 -6.282 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.117 4.134 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.581 4.177 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.419 3.773 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.763 5.409 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.678 5.594 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.968 6.965 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.324 6.241 -2.745 1.00 0.00 H new ATOM 60 N SER A 6 -14.008 3.931 -7.281 1.00 0.00 N ATOM 61 CA SER A 6 -14.645 2.773 -8.007 1.00 0.00 C ATOM 62 C SER A 6 -13.662 2.201 -9.035 1.00 0.00 C ATOM 63 O SER A 6 -12.941 2.971 -9.650 1.00 0.00 O ATOM 64 CB SER A 6 -15.882 3.269 -8.776 1.00 0.00 C ATOM 65 OG SER A 6 -15.546 4.584 -9.199 1.00 0.00 O ATOM 0 H SER A 6 -13.181 4.302 -7.749 1.00 0.00 H new ATOM 0 HA SER A 6 -14.920 2.012 -7.276 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.103 2.625 -9.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.767 3.272 -8.140 1.00 0.00 H new ATOM 0 HG SER A 6 -16.295 4.967 -9.702 1.00 0.00 H new ATOM 71 N VAL A 7 -13.673 0.858 -9.152 1.00 0.00 N ATOM 72 CA VAL A 7 -12.790 0.058 -10.104 1.00 0.00 C ATOM 73 C VAL A 7 -13.809 -0.717 -10.975 1.00 0.00 C ATOM 74 O VAL A 7 -14.852 -1.099 -10.461 1.00 0.00 O ATOM 75 CB VAL A 7 -11.839 -0.965 -9.275 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.628 -1.543 -10.162 1.00 0.00 C ATOM 77 CG2 VAL A 7 -11.283 -0.300 -7.932 1.00 0.00 C ATOM 0 H VAL A 7 -14.291 0.268 -8.595 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.119 0.682 -10.694 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.472 -1.809 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.025 -2.221 -9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.030 -2.082 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.007 -0.718 -10.511 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.651 -1.016 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.699 0.586 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.119 -0.016 -7.293 1.00 0.00 H new ATOM 87 N SER A 8 -13.504 -0.839 -12.281 1.00 0.00 N ATOM 88 CA SER A 8 -14.392 -1.568 -13.279 1.00 0.00 C ATOM 89 C SER A 8 -13.538 -1.971 -14.580 1.00 0.00 C ATOM 90 O SER A 8 -13.088 -1.026 -15.219 1.00 0.00 O ATOM 91 CB SER A 8 -15.490 -0.555 -13.714 1.00 0.00 C ATOM 92 OG SER A 8 -14.851 0.716 -13.715 1.00 0.00 O ATOM 0 H SER A 8 -12.656 -0.451 -12.694 1.00 0.00 H new ATOM 0 HA SER A 8 -14.812 -2.470 -12.835 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.881 -0.799 -14.702 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.334 -0.570 -13.024 1.00 0.00 H new ATOM 0 HG SER A 8 -14.008 0.658 -14.211 1.00 0.00 H new ATOM 98 N PRO A 9 -13.214 -3.301 -14.977 1.00 0.00 N ATOM 99 CA PRO A 9 -13.510 -4.627 -14.281 1.00 0.00 C ATOM 100 C PRO A 9 -12.768 -4.730 -12.947 1.00 0.00 C ATOM 101 O PRO A 9 -11.756 -4.076 -12.799 1.00 0.00 O ATOM 102 CB PRO A 9 -12.961 -5.719 -15.213 1.00 0.00 C ATOM 103 CG PRO A 9 -12.370 -5.042 -16.458 1.00 0.00 C ATOM 104 CD PRO A 9 -12.486 -3.526 -16.280 1.00 0.00 C ATOM 0 HA PRO A 9 -14.578 -4.721 -14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.197 -6.305 -14.702 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.755 -6.409 -15.498 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.327 -5.331 -16.588 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.903 -5.361 -17.353 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.500 -3.062 -16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.031 -3.079 -17.111 1.00 0.00 H new ATOM 112 N ALA A 10 -13.339 -5.521 -12.019 1.00 0.00 N ATOM 113 CA ALA A 10 -12.753 -5.749 -10.625 1.00 0.00 C ATOM 114 C ALA A 10 -12.882 -7.202 -10.149 1.00 0.00 C ATOM 115 O ALA A 10 -12.308 -7.514 -9.117 1.00 0.00 O ATOM 116 CB ALA A 10 -13.570 -4.908 -9.616 1.00 0.00 C ATOM 0 H ALA A 10 -14.209 -6.028 -12.182 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.698 -5.480 -10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.170 -5.054 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.503 -3.853 -9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.613 -5.223 -9.640 1.00 0.00 H new ATOM 122 N THR A 11 -13.631 -8.026 -10.907 1.00 0.00 N ATOM 123 CA THR A 11 -13.865 -9.497 -10.573 1.00 0.00 C ATOM 124 C THR A 11 -13.565 -10.391 -11.792 1.00 0.00 C ATOM 125 O THR A 11 -13.623 -9.932 -12.920 1.00 0.00 O ATOM 126 CB THR A 11 -15.375 -9.713 -10.213 1.00 0.00 C ATOM 127 OG1 THR A 11 -16.081 -9.373 -11.391 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.963 -8.732 -9.153 1.00 0.00 C ATOM 0 H THR A 11 -14.097 -7.723 -11.762 1.00 0.00 H new ATOM 0 HA THR A 11 -13.210 -9.759 -9.742 1.00 0.00 H new ATOM 0 HB THR A 11 -15.463 -10.729 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.043 -9.487 -11.240 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.012 -8.970 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.409 -8.830 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.879 -7.709 -9.518 1.00 0.00 H new ATOM 136 N GLY A 12 -13.209 -11.645 -11.496 1.00 0.00 N ATOM 137 CA GLY A 12 -12.879 -12.680 -12.557 1.00 0.00 C ATOM 138 C GLY A 12 -11.532 -12.425 -13.250 1.00 0.00 C ATOM 139 O GLY A 12 -11.349 -12.845 -14.382 1.00 0.00 O ATOM 0 H GLY A 12 -13.134 -11.995 -10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.863 -13.669 -12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.670 -12.688 -13.306 1.00 0.00 H new ATOM 143 N LEU A 13 -10.631 -11.793 -12.518 1.00 0.00 N ATOM 144 CA LEU A 13 -9.248 -11.452 -13.027 1.00 0.00 C ATOM 145 C LEU A 13 -8.354 -12.709 -13.029 1.00 0.00 C ATOM 146 O LEU A 13 -8.636 -13.656 -12.312 1.00 0.00 O ATOM 147 CB LEU A 13 -8.589 -10.411 -12.039 1.00 0.00 C ATOM 148 CG LEU A 13 -9.456 -9.074 -11.654 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.584 -8.094 -10.745 1.00 0.00 C ATOM 150 CD2 LEU A 13 -10.052 -8.287 -12.916 1.00 0.00 C ATOM 0 H LEU A 13 -10.802 -11.490 -11.559 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.335 -11.051 -14.037 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.348 -10.933 -11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.645 -10.085 -12.476 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.322 -9.431 -11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.171 -7.210 -10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.296 -8.608 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.689 -7.794 -11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.611 -7.417 -12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.236 -7.962 -13.561 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.716 -8.946 -13.476 1.00 0.00 H new ATOM 162 N ALA A 14 -7.326 -12.662 -13.902 1.00 0.00 N ATOM 163 CA ALA A 14 -6.294 -13.759 -14.105 1.00 0.00 C ATOM 164 C ALA A 14 -4.942 -13.071 -14.359 1.00 0.00 C ATOM 165 O ALA A 14 -4.886 -11.858 -14.295 1.00 0.00 O ATOM 166 CB ALA A 14 -6.682 -14.583 -15.365 1.00 0.00 C ATOM 0 H ALA A 14 -7.167 -11.856 -14.507 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.243 -14.417 -13.238 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.949 -15.374 -15.522 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.668 -15.025 -15.221 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.702 -13.928 -16.236 1.00 0.00 H new ATOM 172 N ASP A 15 -3.897 -13.866 -14.594 1.00 0.00 N ATOM 173 CA ASP A 15 -2.507 -13.327 -14.863 1.00 0.00 C ATOM 174 C ASP A 15 -2.459 -12.621 -16.239 1.00 0.00 C ATOM 175 O ASP A 15 -3.143 -13.057 -17.153 1.00 0.00 O ATOM 176 CB ASP A 15 -1.558 -14.554 -14.878 1.00 0.00 C ATOM 177 CG ASP A 15 -0.097 -14.138 -15.123 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.509 -13.683 -14.167 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.334 -14.311 -16.253 1.00 0.00 O ATOM 0 H ASP A 15 -3.957 -14.884 -14.610 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.218 -12.600 -14.104 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.632 -15.083 -13.928 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.874 -15.249 -15.656 1.00 0.00 H new ATOM 184 N GLY A 16 -1.693 -11.520 -16.308 1.00 0.00 N ATOM 185 CA GLY A 16 -1.527 -10.698 -17.577 1.00 0.00 C ATOM 186 C GLY A 16 -2.605 -9.602 -17.744 1.00 0.00 C ATOM 187 O GLY A 16 -2.493 -8.808 -18.665 1.00 0.00 O ATOM 0 H GLY A 16 -1.167 -11.156 -15.513 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.542 -10.231 -17.572 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.560 -11.364 -18.439 1.00 0.00 H new ATOM 191 N ALA A 17 -3.589 -9.566 -16.833 1.00 0.00 N ATOM 192 CA ALA A 17 -4.710 -8.540 -16.877 1.00 0.00 C ATOM 193 C ALA A 17 -4.203 -7.139 -16.450 1.00 0.00 C ATOM 194 O ALA A 17 -3.118 -7.032 -15.896 1.00 0.00 O ATOM 195 CB ALA A 17 -5.804 -9.018 -15.887 1.00 0.00 C ATOM 0 H ALA A 17 -3.656 -10.219 -16.052 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.097 -8.455 -17.892 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.631 -8.307 -15.887 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.168 -9.999 -16.193 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.383 -9.084 -14.884 1.00 0.00 H new ATOM 201 N THR A 18 -5.015 -6.119 -16.757 1.00 0.00 N ATOM 202 CA THR A 18 -4.730 -4.669 -16.441 1.00 0.00 C ATOM 203 C THR A 18 -6.097 -4.023 -16.141 1.00 0.00 C ATOM 204 O THR A 18 -6.964 -4.021 -17.003 1.00 0.00 O ATOM 205 CB THR A 18 -4.060 -4.045 -17.715 1.00 0.00 C ATOM 206 OG1 THR A 18 -2.734 -4.540 -17.700 1.00 0.00 O ATOM 207 CG2 THR A 18 -3.839 -2.494 -17.712 1.00 0.00 C ATOM 0 H THR A 18 -5.904 -6.254 -17.238 1.00 0.00 H new ATOM 0 HA THR A 18 -4.063 -4.522 -15.591 1.00 0.00 H new ATOM 0 HB THR A 18 -4.718 -4.290 -18.549 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.246 -4.192 -18.475 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.369 -2.192 -18.648 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.800 -1.990 -17.609 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.194 -2.220 -16.877 1.00 0.00 H new ATOM 215 N VAL A 19 -6.199 -3.463 -14.932 1.00 0.00 N ATOM 216 CA VAL A 19 -7.452 -2.774 -14.416 1.00 0.00 C ATOM 217 C VAL A 19 -7.474 -1.281 -14.883 1.00 0.00 C ATOM 218 O VAL A 19 -6.591 -0.881 -15.623 1.00 0.00 O ATOM 219 CB VAL A 19 -7.471 -2.959 -12.791 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.857 -4.457 -12.394 1.00 0.00 C ATOM 221 CG2 VAL A 19 -6.108 -2.511 -12.083 1.00 0.00 C ATOM 0 H VAL A 19 -5.431 -3.459 -14.260 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.362 -3.216 -14.821 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.241 -2.284 -12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.863 -4.556 -11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.846 -4.694 -12.785 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.125 -5.145 -12.817 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.191 -2.661 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.283 -3.109 -12.470 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.920 -1.457 -12.289 1.00 0.00 H new ATOM 231 N THR A 20 -8.513 -0.554 -14.471 1.00 0.00 N ATOM 232 CA THR A 20 -8.730 0.903 -14.799 1.00 0.00 C ATOM 233 C THR A 20 -9.350 1.513 -13.521 1.00 0.00 C ATOM 234 O THR A 20 -10.561 1.497 -13.350 1.00 0.00 O ATOM 235 CB THR A 20 -9.696 0.966 -16.044 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.875 0.603 -17.139 1.00 0.00 O ATOM 237 CG2 THR A 20 -10.213 2.384 -16.472 1.00 0.00 C ATOM 0 H THR A 20 -9.254 -0.944 -13.889 1.00 0.00 H new ATOM 0 HA THR A 20 -7.827 1.454 -15.063 1.00 0.00 H new ATOM 0 HB THR A 20 -10.562 0.356 -15.786 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.405 0.615 -17.963 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.867 2.287 -17.339 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.767 2.833 -15.648 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.365 3.019 -16.727 1.00 0.00 H new ATOM 245 N VAL A 21 -8.461 2.042 -12.669 1.00 0.00 N ATOM 246 CA VAL A 21 -8.854 2.683 -11.357 1.00 0.00 C ATOM 247 C VAL A 21 -9.341 4.094 -11.715 1.00 0.00 C ATOM 248 O VAL A 21 -8.877 4.643 -12.697 1.00 0.00 O ATOM 249 CB VAL A 21 -7.524 2.704 -10.419 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.620 3.687 -9.145 1.00 0.00 C ATOM 251 CG2 VAL A 21 -7.143 1.223 -9.949 1.00 0.00 C ATOM 0 H VAL A 21 -7.456 2.050 -12.844 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.640 2.157 -10.814 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.733 3.111 -11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.691 3.638 -8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.783 4.709 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.451 3.379 -8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.251 1.258 -9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.970 0.798 -9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.948 0.603 -10.824 1.00 0.00 H new ATOM 261 N SER A 22 -10.285 4.590 -10.905 1.00 0.00 N ATOM 262 CA SER A 22 -10.909 5.958 -11.063 1.00 0.00 C ATOM 263 C SER A 22 -10.980 6.633 -9.698 1.00 0.00 C ATOM 264 O SER A 22 -10.812 5.973 -8.683 1.00 0.00 O ATOM 265 CB SER A 22 -12.345 5.792 -11.598 1.00 0.00 C ATOM 266 OG SER A 22 -13.163 5.805 -10.439 1.00 0.00 O ATOM 0 H SER A 22 -10.656 4.069 -10.110 1.00 0.00 H new ATOM 0 HA SER A 22 -10.313 6.558 -11.751 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.610 6.601 -12.279 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.456 4.860 -12.151 1.00 0.00 H new ATOM 0 HG SER A 22 -13.192 4.906 -10.049 1.00 0.00 H new ATOM 272 N ALA A 23 -11.151 7.948 -9.738 1.00 0.00 N ATOM 273 CA ALA A 23 -11.247 8.804 -8.500 1.00 0.00 C ATOM 274 C ALA A 23 -11.917 10.126 -8.870 1.00 0.00 C ATOM 275 O ALA A 23 -11.785 10.555 -10.005 1.00 0.00 O ATOM 276 CB ALA A 23 -9.822 9.080 -7.971 1.00 0.00 C ATOM 0 H ALA A 23 -11.230 8.475 -10.608 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.830 8.296 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.880 9.699 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.335 8.136 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.245 9.601 -8.735 1.00 0.00 H new ATOM 282 N SER A 24 -12.653 10.695 -7.906 1.00 0.00 N ATOM 283 CA SER A 24 -13.382 12.005 -8.103 1.00 0.00 C ATOM 284 C SER A 24 -13.634 12.666 -6.740 1.00 0.00 C ATOM 285 O SER A 24 -13.745 11.967 -5.747 1.00 0.00 O ATOM 286 CB SER A 24 -14.739 11.708 -8.775 1.00 0.00 C ATOM 287 OG SER A 24 -14.464 11.773 -10.166 1.00 0.00 O ATOM 0 H SER A 24 -12.774 10.290 -6.978 1.00 0.00 H new ATOM 0 HA SER A 24 -12.785 12.674 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.118 10.726 -8.490 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.495 12.438 -8.485 1.00 0.00 H new ATOM 0 HG SER A 24 -13.556 11.445 -10.336 1.00 0.00 H new ATOM 293 N GLY A 25 -13.664 14.005 -6.743 1.00 0.00 N ATOM 294 CA GLY A 25 -13.902 14.835 -5.492 1.00 0.00 C ATOM 295 C GLY A 25 -12.613 15.002 -4.654 1.00 0.00 C ATOM 296 O GLY A 25 -11.950 14.020 -4.356 1.00 0.00 O ATOM 0 H GLY A 25 -13.529 14.564 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.280 15.817 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.671 14.361 -4.883 1.00 0.00 H new ATOM 300 N PHE A 26 -12.291 16.277 -4.339 1.00 0.00 N ATOM 301 CA PHE A 26 -11.069 16.676 -3.524 1.00 0.00 C ATOM 302 C PHE A 26 -11.378 17.930 -2.707 1.00 0.00 C ATOM 303 O PHE A 26 -12.339 18.627 -2.996 1.00 0.00 O ATOM 304 CB PHE A 26 -9.829 16.972 -4.457 1.00 0.00 C ATOM 305 CG PHE A 26 -9.831 18.459 -5.069 1.00 0.00 C ATOM 306 CD1 PHE A 26 -10.750 18.827 -6.086 1.00 0.00 C ATOM 307 CD2 PHE A 26 -8.883 19.459 -4.683 1.00 0.00 C ATOM 308 CE1 PHE A 26 -10.710 20.080 -6.662 1.00 0.00 C ATOM 309 CE2 PHE A 26 -8.880 20.699 -5.287 1.00 0.00 C ATOM 310 CZ PHE A 26 -9.785 21.006 -6.266 1.00 0.00 C ATOM 0 H PHE A 26 -12.856 17.074 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.823 15.844 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.912 16.823 -3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.818 16.251 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.493 18.115 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.161 19.240 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.419 20.333 -7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.153 21.438 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.769 21.982 -6.727 1.00 0.00 H new ATOM 320 N ALA A 27 -10.548 18.146 -1.691 1.00 0.00 N ATOM 321 CA ALA A 27 -10.665 19.326 -0.756 1.00 0.00 C ATOM 322 C ALA A 27 -9.395 19.396 0.102 1.00 0.00 C ATOM 323 O ALA A 27 -8.673 20.377 0.026 1.00 0.00 O ATOM 324 CB ALA A 27 -11.903 19.186 0.184 1.00 0.00 C ATOM 0 H ALA A 27 -9.769 17.527 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.788 20.231 -1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.958 20.052 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.811 19.129 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.806 18.280 0.781 1.00 0.00 H new ATOM 330 N THR A 28 -9.150 18.313 0.842 1.00 0.00 N ATOM 331 CA THR A 28 -7.946 18.189 1.756 1.00 0.00 C ATOM 332 C THR A 28 -6.685 17.810 0.961 1.00 0.00 C ATOM 333 O THR A 28 -5.686 18.505 1.053 1.00 0.00 O ATOM 334 CB THR A 28 -8.211 17.056 2.803 1.00 0.00 C ATOM 335 OG1 THR A 28 -8.949 16.053 2.127 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.150 17.455 3.984 1.00 0.00 C ATOM 0 H THR A 28 -9.754 17.491 0.846 1.00 0.00 H new ATOM 0 HA THR A 28 -7.791 19.151 2.244 1.00 0.00 H new ATOM 0 HB THR A 28 -7.235 16.778 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.140 15.316 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.272 16.605 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.711 18.289 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.123 17.750 3.591 1.00 0.00 H new ATOM 344 N SER A 29 -6.793 16.727 0.189 1.00 0.00 N ATOM 345 CA SER A 29 -5.659 16.204 -0.659 1.00 0.00 C ATOM 346 C SER A 29 -5.307 17.160 -1.820 1.00 0.00 C ATOM 347 O SER A 29 -6.204 17.786 -2.356 1.00 0.00 O ATOM 348 CB SER A 29 -6.146 14.873 -1.240 1.00 0.00 C ATOM 349 OG SER A 29 -7.403 15.172 -1.832 1.00 0.00 O ATOM 0 H SER A 29 -7.648 16.176 0.116 1.00 0.00 H new ATOM 0 HA SER A 29 -4.760 16.101 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.444 14.483 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.245 14.115 -0.463 1.00 0.00 H new ATOM 0 HG SER A 29 -7.779 14.359 -2.230 1.00 0.00 H new ATOM 355 N THR A 30 -3.991 17.254 -2.119 1.00 0.00 N ATOM 356 CA THR A 30 -3.409 18.139 -3.230 1.00 0.00 C ATOM 357 C THR A 30 -2.539 17.277 -4.190 1.00 0.00 C ATOM 358 O THR A 30 -1.788 17.811 -4.992 1.00 0.00 O ATOM 359 CB THR A 30 -2.489 19.207 -2.517 1.00 0.00 C ATOM 360 OG1 THR A 30 -3.140 19.493 -1.295 1.00 0.00 O ATOM 361 CG2 THR A 30 -2.411 20.616 -3.192 1.00 0.00 C ATOM 0 H THR A 30 -3.277 16.729 -1.613 1.00 0.00 H new ATOM 0 HA THR A 30 -4.202 18.611 -3.810 1.00 0.00 H new ATOM 0 HB THR A 30 -1.488 18.777 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.619 20.154 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.751 21.261 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.021 20.513 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.407 21.057 -3.230 1.00 0.00 H new ATOM 369 N SER A 31 -2.721 15.952 -4.105 1.00 0.00 N ATOM 370 CA SER A 31 -1.965 14.934 -4.954 1.00 0.00 C ATOM 371 C SER A 31 -2.654 13.556 -4.763 1.00 0.00 C ATOM 372 O SER A 31 -3.547 13.465 -3.939 1.00 0.00 O ATOM 373 CB SER A 31 -0.469 14.859 -4.451 1.00 0.00 C ATOM 374 OG SER A 31 -0.561 14.994 -3.038 1.00 0.00 O ATOM 0 H SER A 31 -3.386 15.526 -3.459 1.00 0.00 H new ATOM 0 HA SER A 31 -1.973 15.217 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.003 13.914 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.137 15.653 -4.887 1.00 0.00 H new ATOM 0 HG SER A 31 0.337 14.956 -2.647 1.00 0.00 H new ATOM 380 N ALA A 32 -2.272 12.549 -5.568 1.00 0.00 N ATOM 381 CA ALA A 32 -2.873 11.161 -5.471 1.00 0.00 C ATOM 382 C ALA A 32 -1.952 10.110 -6.114 1.00 0.00 C ATOM 383 O ALA A 32 -1.328 10.395 -7.125 1.00 0.00 O ATOM 384 CB ALA A 32 -4.213 11.151 -6.224 1.00 0.00 C ATOM 0 H ALA A 32 -1.560 12.645 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.007 10.916 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.657 10.158 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.888 11.879 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.045 11.409 -7.270 1.00 0.00 H new ATOM 390 N THR A 33 -1.905 8.932 -5.453 1.00 0.00 N ATOM 391 CA THR A 33 -1.080 7.718 -5.863 1.00 0.00 C ATOM 392 C THR A 33 -2.031 6.526 -5.830 1.00 0.00 C ATOM 393 O THR A 33 -3.167 6.712 -5.425 1.00 0.00 O ATOM 394 CB THR A 33 0.013 7.478 -4.760 1.00 0.00 C ATOM 395 OG1 THR A 33 0.316 8.760 -4.245 1.00 0.00 O ATOM 396 CG2 THR A 33 1.400 6.966 -5.259 1.00 0.00 C ATOM 0 H THR A 33 -2.441 8.770 -4.600 1.00 0.00 H new ATOM 0 HA THR A 33 -0.618 7.854 -6.841 1.00 0.00 H new ATOM 0 HB THR A 33 -0.404 6.729 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.997 8.679 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.069 6.839 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.274 6.010 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.828 7.691 -5.951 1.00 0.00 H new ATOM 404 N ALA A 34 -1.553 5.362 -6.301 1.00 0.00 N ATOM 405 CA ALA A 34 -2.382 4.075 -6.334 1.00 0.00 C ATOM 406 C ALA A 34 -1.485 2.841 -6.011 1.00 0.00 C ATOM 407 O ALA A 34 -1.241 1.968 -6.838 1.00 0.00 O ATOM 408 CB ALA A 34 -3.063 3.965 -7.735 1.00 0.00 C ATOM 0 H ALA A 34 -0.608 5.253 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.159 4.099 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.659 3.054 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.708 4.829 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.297 3.936 -8.510 1.00 0.00 H new ATOM 414 N LEU A 35 -1.034 2.833 -4.759 1.00 0.00 N ATOM 415 CA LEU A 35 -0.140 1.739 -4.192 1.00 0.00 C ATOM 416 C LEU A 35 -0.992 0.502 -3.824 1.00 0.00 C ATOM 417 O LEU A 35 -2.186 0.639 -3.623 1.00 0.00 O ATOM 418 CB LEU A 35 0.483 2.298 -2.842 1.00 0.00 C ATOM 419 CG LEU A 35 1.727 3.332 -3.039 1.00 0.00 C ATOM 420 CD1 LEU A 35 1.758 4.431 -1.875 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.144 2.585 -3.153 1.00 0.00 C ATOM 0 H LEU A 35 -1.257 3.565 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 35 0.621 1.463 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.302 2.800 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.821 1.456 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 35 1.558 3.838 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.599 5.106 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.828 5.000 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.868 3.936 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.935 3.323 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.328 2.013 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.132 1.911 -4.010 1.00 0.00 H new ATOM 433 N GLN A 36 -0.323 -0.661 -3.812 1.00 0.00 N ATOM 434 CA GLN A 36 -0.926 -2.016 -3.474 1.00 0.00 C ATOM 435 C GLN A 36 0.095 -2.743 -2.578 1.00 0.00 C ATOM 436 O GLN A 36 1.282 -2.612 -2.833 1.00 0.00 O ATOM 437 CB GLN A 36 -1.270 -2.815 -4.791 1.00 0.00 C ATOM 438 CG GLN A 36 -0.067 -3.267 -5.688 1.00 0.00 C ATOM 439 CD GLN A 36 -0.568 -3.408 -7.119 1.00 0.00 C ATOM 440 OE1 GLN A 36 -0.201 -2.648 -7.988 1.00 0.00 O ATOM 441 NE2 GLN A 36 -1.398 -4.367 -7.411 1.00 0.00 N ATOM 0 H GLN A 36 0.670 -0.717 -4.037 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.871 -1.918 -2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.834 -3.704 -4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.931 -2.197 -5.398 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.740 -2.536 -5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.338 -4.214 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.711 -5.010 -6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.736 -4.476 -8.367 1.00 0.00 H new ATOM 450 N CYS A 37 -0.390 -3.395 -1.499 1.00 0.00 N ATOM 451 CA CYS A 37 0.507 -4.156 -0.518 1.00 0.00 C ATOM 452 C CYS A 37 -0.165 -5.459 -0.055 1.00 0.00 C ATOM 453 O CYS A 37 -1.384 -5.513 0.022 1.00 0.00 O ATOM 454 CB CYS A 37 0.782 -3.272 0.742 1.00 0.00 C ATOM 455 SG CYS A 37 1.398 -1.565 0.538 1.00 0.00 S ATOM 0 H CYS A 37 -1.382 -3.427 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 37 1.439 -4.392 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.147 -3.216 1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.502 -3.805 1.362 1.00 0.00 H new ATOM 460 N ALA A 38 0.696 -6.451 0.255 1.00 0.00 N ATOM 461 CA ALA A 38 0.278 -7.825 0.733 1.00 0.00 C ATOM 462 C ALA A 38 0.363 -7.924 2.268 1.00 0.00 C ATOM 463 O ALA A 38 1.447 -7.812 2.818 1.00 0.00 O ATOM 464 CB ALA A 38 1.271 -8.839 0.113 1.00 0.00 C ATOM 0 H ALA A 38 1.708 -6.341 0.187 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.752 -8.025 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.007 -9.848 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.222 -8.778 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.283 -8.607 0.445 1.00 0.00 H new ATOM 470 N ILE A 39 -0.798 -8.116 2.902 1.00 0.00 N ATOM 471 CA ILE A 39 -0.908 -8.239 4.406 1.00 0.00 C ATOM 472 C ILE A 39 -0.472 -9.702 4.703 1.00 0.00 C ATOM 473 O ILE A 39 -0.827 -10.589 3.946 1.00 0.00 O ATOM 474 CB ILE A 39 -2.444 -7.947 4.846 1.00 0.00 C ATOM 475 CG1 ILE A 39 -3.151 -6.699 4.079 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.639 -7.823 6.454 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.340 -5.356 3.950 1.00 0.00 C ATOM 0 H ILE A 39 -1.692 -8.193 2.418 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.291 -7.531 4.960 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.971 -8.841 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.412 -7.029 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.086 -6.477 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.687 -7.628 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.333 -8.754 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.028 -7.004 6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.940 -4.619 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.101 -4.978 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.417 -5.540 3.400 1.00 0.00 H new ATOM 489 N LEU A 40 0.339 -9.853 5.766 1.00 0.00 N ATOM 490 CA LEU A 40 0.897 -11.197 6.250 1.00 0.00 C ATOM 491 C LEU A 40 0.430 -11.358 7.720 1.00 0.00 C ATOM 492 O LEU A 40 -0.342 -10.532 8.171 1.00 0.00 O ATOM 493 CB LEU A 40 2.504 -11.222 6.199 1.00 0.00 C ATOM 494 CG LEU A 40 3.235 -10.704 4.831 1.00 0.00 C ATOM 495 CD1 LEU A 40 4.756 -10.285 5.121 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.166 -11.771 3.638 1.00 0.00 C ATOM 0 H LEU A 40 0.646 -9.065 6.337 1.00 0.00 H new ATOM 0 HA LEU A 40 0.541 -12.004 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.874 -10.616 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.828 -12.246 6.384 1.00 0.00 H new ATOM 0 HG LEU A 40 2.678 -9.827 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.222 -9.944 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.778 -9.481 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.303 -11.145 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.669 -11.367 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.658 -12.693 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.124 -11.979 3.396 1.00 0.00 H new ATOM 508 N ALA A 41 0.882 -12.421 8.401 1.00 0.00 N ATOM 509 CA ALA A 41 0.501 -12.695 9.841 1.00 0.00 C ATOM 510 C ALA A 41 1.010 -11.601 10.788 1.00 0.00 C ATOM 511 O ALA A 41 0.268 -11.148 11.644 1.00 0.00 O ATOM 512 CB ALA A 41 1.148 -14.026 10.255 1.00 0.00 C ATOM 0 H ALA A 41 1.511 -13.117 8.001 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.586 -12.725 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.890 -14.249 11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.782 -14.825 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.231 -13.949 10.159 1.00 0.00 H new ATOM 518 N ASP A 42 2.255 -11.188 10.546 1.00 0.00 N ATOM 519 CA ASP A 42 2.938 -10.108 11.372 1.00 0.00 C ATOM 520 C ASP A 42 2.358 -8.698 11.045 1.00 0.00 C ATOM 521 O ASP A 42 2.477 -7.786 11.853 1.00 0.00 O ATOM 522 CB ASP A 42 4.470 -10.157 11.105 1.00 0.00 C ATOM 523 CG ASP A 42 4.791 -10.362 9.621 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.725 -9.385 8.911 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.085 -11.498 9.286 1.00 0.00 O ATOM 0 H ASP A 42 2.835 -11.563 9.796 1.00 0.00 H new ATOM 0 HA ASP A 42 2.751 -10.294 12.429 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.927 -9.229 11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.913 -10.966 11.686 1.00 0.00 H new ATOM 530 N GLY A 43 1.748 -8.575 9.860 1.00 0.00 N ATOM 531 CA GLY A 43 1.119 -7.287 9.378 1.00 0.00 C ATOM 532 C GLY A 43 2.099 -6.190 8.922 1.00 0.00 C ATOM 533 O GLY A 43 1.706 -5.032 8.948 1.00 0.00 O ATOM 0 H GLY A 43 1.664 -9.344 9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.452 -7.519 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.501 -6.884 10.180 1.00 0.00 H new ATOM 537 N ARG A 44 3.313 -6.576 8.509 1.00 0.00 N ATOM 538 CA ARG A 44 4.357 -5.567 8.029 1.00 0.00 C ATOM 539 C ARG A 44 3.933 -5.108 6.626 1.00 0.00 C ATOM 540 O ARG A 44 3.397 -5.911 5.883 1.00 0.00 O ATOM 541 CB ARG A 44 5.763 -6.243 7.893 1.00 0.00 C ATOM 542 CG ARG A 44 6.438 -6.617 9.283 1.00 0.00 C ATOM 543 CD ARG A 44 7.415 -5.542 9.863 1.00 0.00 C ATOM 544 NE ARG A 44 7.696 -5.904 11.280 1.00 0.00 N ATOM 545 CZ ARG A 44 8.929 -5.897 11.710 1.00 0.00 C ATOM 546 NH1 ARG A 44 9.427 -4.786 12.179 1.00 0.00 N ATOM 547 NH2 ARG A 44 9.622 -7.002 11.655 1.00 0.00 N ATOM 0 H ARG A 44 3.624 -7.547 8.485 1.00 0.00 H new ATOM 0 HA ARG A 44 4.420 -4.744 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.663 -7.148 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.426 -5.572 7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.650 -6.799 10.013 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.984 -7.553 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.339 -5.513 9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.970 -4.549 9.803 1.00 0.00 H new ATOM 0 HE ARG A 44 6.933 -6.155 11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.855 -3.942 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.388 -4.762 12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.199 -7.851 11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.587 -7.016 11.986 1.00 0.00 H new ATOM 561 N GLY A 45 4.188 -3.843 6.317 1.00 0.00 N ATOM 562 CA GLY A 45 3.822 -3.241 4.973 1.00 0.00 C ATOM 563 C GLY A 45 4.735 -3.681 3.811 1.00 0.00 C ATOM 564 O GLY A 45 5.532 -2.870 3.363 1.00 0.00 O ATOM 0 H GLY A 45 4.644 -3.189 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.794 -3.512 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.854 -2.154 5.054 1.00 0.00 H new ATOM 568 N ALA A 46 4.545 -4.918 3.328 1.00 0.00 N ATOM 569 CA ALA A 46 5.364 -5.480 2.187 1.00 0.00 C ATOM 570 C ALA A 46 4.737 -4.973 0.879 1.00 0.00 C ATOM 571 O ALA A 46 3.743 -5.527 0.436 1.00 0.00 O ATOM 572 CB ALA A 46 5.320 -7.028 2.278 1.00 0.00 C ATOM 0 H ALA A 46 3.842 -5.562 3.691 1.00 0.00 H new ATOM 0 HA ALA A 46 6.406 -5.164 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.905 -7.457 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.737 -7.348 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.287 -7.368 2.201 1.00 0.00 H new ATOM 578 N CYS A 47 5.315 -3.866 0.346 1.00 0.00 N ATOM 579 CA CYS A 47 4.828 -3.208 -0.944 1.00 0.00 C ATOM 580 C CYS A 47 5.952 -3.033 -1.978 1.00 0.00 C ATOM 581 O CYS A 47 7.079 -2.714 -1.624 1.00 0.00 O ATOM 582 CB CYS A 47 4.238 -1.809 -0.574 1.00 0.00 C ATOM 583 SG CYS A 47 3.362 -1.630 1.013 1.00 0.00 S ATOM 0 H CYS A 47 6.115 -3.396 0.769 1.00 0.00 H new ATOM 0 HA CYS A 47 4.077 -3.854 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.057 -1.090 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.550 -1.519 -1.368 1.00 0.00 H new ATOM 588 N ASN A 48 5.585 -3.287 -3.245 1.00 0.00 N ATOM 589 CA ASN A 48 6.532 -3.173 -4.408 1.00 0.00 C ATOM 590 C ASN A 48 6.729 -1.686 -4.763 1.00 0.00 C ATOM 591 O ASN A 48 5.759 -0.935 -4.747 1.00 0.00 O ATOM 592 CB ASN A 48 5.887 -3.926 -5.591 1.00 0.00 C ATOM 593 CG ASN A 48 6.881 -4.034 -6.752 1.00 0.00 C ATOM 594 OD1 ASN A 48 7.747 -4.887 -6.773 1.00 0.00 O ATOM 595 ND2 ASN A 48 6.776 -3.203 -7.747 1.00 0.00 N ATOM 0 H ASN A 48 4.642 -3.574 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 48 7.507 -3.598 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.578 -4.922 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.989 -3.403 -5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.417 -3.270 -8.537 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.052 -2.484 -7.737 1.00 0.00 H new ATOM 602 N VAL A 49 7.985 -1.328 -5.058 1.00 0.00 N ATOM 603 CA VAL A 49 8.398 0.097 -5.429 1.00 0.00 C ATOM 604 C VAL A 49 8.336 0.414 -6.950 1.00 0.00 C ATOM 605 O VAL A 49 8.151 1.562 -7.287 1.00 0.00 O ATOM 606 CB VAL A 49 9.896 0.373 -4.866 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.866 0.787 -3.321 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.914 -0.844 -5.118 1.00 0.00 C ATOM 0 H VAL A 49 8.763 -1.988 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 49 7.669 0.761 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 49 10.282 1.212 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.883 0.965 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.276 1.695 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.418 -0.017 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.894 -0.588 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.541 -1.740 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.999 -1.032 -6.188 1.00 0.00 H new ATOM 618 N ALA A 50 8.429 -0.610 -7.797 1.00 0.00 N ATOM 619 CA ALA A 50 8.393 -0.427 -9.318 1.00 0.00 C ATOM 620 C ALA A 50 7.000 -0.222 -9.967 1.00 0.00 C ATOM 621 O ALA A 50 6.951 0.360 -11.039 1.00 0.00 O ATOM 622 CB ALA A 50 8.979 -1.705 -9.948 1.00 0.00 C ATOM 0 H ALA A 50 8.530 -1.580 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 50 8.949 0.492 -9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.970 -1.612 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.004 -1.843 -9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.378 -2.565 -9.652 1.00 0.00 H new ATOM 628 N GLU A 51 5.924 -0.643 -9.286 1.00 0.00 N ATOM 629 CA GLU A 51 4.478 -0.509 -9.824 1.00 0.00 C ATOM 630 C GLU A 51 3.836 0.900 -9.582 1.00 0.00 C ATOM 631 O GLU A 51 2.724 1.156 -10.037 1.00 0.00 O ATOM 632 CB GLU A 51 3.637 -1.665 -9.118 1.00 0.00 C ATOM 633 CG GLU A 51 3.803 -3.068 -9.815 1.00 0.00 C ATOM 634 CD GLU A 51 3.300 -4.173 -8.882 1.00 0.00 C ATOM 635 OE1 GLU A 51 2.095 -4.297 -8.789 1.00 0.00 O ATOM 636 OE2 GLU A 51 4.152 -4.851 -8.340 1.00 0.00 O ATOM 0 H GLU A 51 5.981 -1.081 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 51 4.482 -0.610 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.946 -1.746 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.582 -1.389 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.245 -3.088 -10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.850 -3.239 -10.065 1.00 0.00 H new ATOM 643 N PHE A 52 4.605 1.807 -8.985 1.00 0.00 N ATOM 644 CA PHE A 52 4.134 3.233 -8.675 1.00 0.00 C ATOM 645 C PHE A 52 3.944 4.127 -9.931 1.00 0.00 C ATOM 646 O PHE A 52 4.370 3.737 -11.009 1.00 0.00 O ATOM 647 CB PHE A 52 5.204 3.879 -7.739 1.00 0.00 C ATOM 648 CG PHE A 52 6.355 4.698 -8.518 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.339 4.039 -9.310 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.511 6.102 -8.373 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.382 4.738 -9.881 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.568 6.766 -8.963 1.00 0.00 C ATOM 653 CZ PHE A 52 8.494 6.089 -9.708 1.00 0.00 C ATOM 0 H PHE A 52 5.563 1.619 -8.691 1.00 0.00 H new ATOM 0 HA PHE A 52 3.150 3.166 -8.210 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.703 4.552 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.671 3.094 -7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.267 2.973 -9.466 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.791 6.659 -7.792 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.118 4.212 -10.471 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.665 7.834 -8.835 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.316 6.624 -10.161 1.00 0.00 H new ATOM 663 N HIS A 53 3.311 5.297 -9.714 1.00 0.00 N ATOM 664 CA HIS A 53 3.028 6.320 -10.807 1.00 0.00 C ATOM 665 C HIS A 53 3.406 7.732 -10.318 1.00 0.00 C ATOM 666 O HIS A 53 4.336 8.299 -10.858 1.00 0.00 O ATOM 667 CB HIS A 53 1.525 6.249 -11.166 1.00 0.00 C ATOM 668 CG HIS A 53 1.311 5.114 -12.189 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.231 3.879 -11.870 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.180 5.153 -13.575 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.066 3.185 -12.943 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.024 3.916 -14.040 1.00 0.00 N ATOM 0 H HIS A 53 2.974 5.582 -8.794 1.00 0.00 H new ATOM 0 HA HIS A 53 3.625 6.101 -11.693 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.931 6.067 -10.270 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.191 7.200 -11.582 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.202 6.048 -14.179 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.971 2.109 -12.944 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.902 3.609 -15.005 1.00 0.00 H new ATOM 679 N ASP A 54 2.705 8.216 -9.278 1.00 0.00 N ATOM 680 CA ASP A 54 2.916 9.597 -8.631 1.00 0.00 C ATOM 681 C ASP A 54 2.874 10.810 -9.610 1.00 0.00 C ATOM 682 O ASP A 54 3.846 11.088 -10.302 1.00 0.00 O ATOM 683 CB ASP A 54 4.235 9.659 -7.759 1.00 0.00 C ATOM 684 CG ASP A 54 4.364 11.033 -7.076 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.663 11.229 -6.095 1.00 0.00 O ATOM 686 OD2 ASP A 54 5.184 11.804 -7.557 1.00 0.00 O ATOM 0 H ASP A 54 1.959 7.682 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 54 2.045 9.701 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.217 8.872 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.105 9.477 -8.390 1.00 0.00 H new ATOM 691 N PHE A 55 1.711 11.475 -9.668 1.00 0.00 N ATOM 692 CA PHE A 55 1.475 12.688 -10.559 1.00 0.00 C ATOM 693 C PHE A 55 0.306 13.485 -9.964 1.00 0.00 C ATOM 694 O PHE A 55 -0.560 12.908 -9.325 1.00 0.00 O ATOM 695 CB PHE A 55 1.200 12.329 -12.079 1.00 0.00 C ATOM 696 CG PHE A 55 -0.259 11.755 -12.358 1.00 0.00 C ATOM 697 CD1 PHE A 55 -0.641 10.478 -11.888 1.00 0.00 C ATOM 698 CD2 PHE A 55 -1.224 12.462 -13.129 1.00 0.00 C ATOM 699 CE1 PHE A 55 -1.887 9.963 -12.167 1.00 0.00 C ATOM 700 CE2 PHE A 55 -2.459 11.910 -13.388 1.00 0.00 C ATOM 701 CZ PHE A 55 -2.785 10.674 -12.911 1.00 0.00 C ATOM 0 H PHE A 55 0.895 11.213 -9.115 1.00 0.00 H new ATOM 0 HA PHE A 55 2.391 13.279 -10.575 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.349 13.223 -12.685 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.936 11.595 -12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.055 9.897 -11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.985 13.442 -13.515 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.157 8.986 -11.794 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.178 12.462 -13.976 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.758 10.256 -13.123 1.00 0.00 H new ATOM 711 N SER A 56 0.342 14.802 -10.180 1.00 0.00 N ATOM 712 CA SER A 56 -0.723 15.756 -9.663 1.00 0.00 C ATOM 713 C SER A 56 -2.118 15.557 -10.285 1.00 0.00 C ATOM 714 O SER A 56 -2.244 14.918 -11.311 1.00 0.00 O ATOM 715 CB SER A 56 -0.248 17.186 -9.992 1.00 0.00 C ATOM 716 OG SER A 56 -0.714 17.424 -11.312 1.00 0.00 O ATOM 0 H SER A 56 1.085 15.262 -10.706 1.00 0.00 H new ATOM 0 HA SER A 56 -0.838 15.566 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.659 17.911 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.838 17.266 -9.934 1.00 0.00 H new ATOM 0 HG SER A 56 -0.450 18.324 -11.595 1.00 0.00 H new ATOM 722 N LEU A 57 -3.114 16.201 -9.670 1.00 0.00 N ATOM 723 CA LEU A 57 -4.550 16.110 -10.155 1.00 0.00 C ATOM 724 C LEU A 57 -4.706 17.061 -11.360 1.00 0.00 C ATOM 725 O LEU A 57 -4.126 18.138 -11.374 1.00 0.00 O ATOM 726 CB LEU A 57 -5.522 16.648 -9.029 1.00 0.00 C ATOM 727 CG LEU A 57 -5.705 15.679 -7.725 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.039 16.540 -6.418 1.00 0.00 C ATOM 729 CD2 LEU A 57 -6.815 14.537 -7.933 1.00 0.00 C ATOM 0 H LEU A 57 -2.986 16.789 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.784 15.076 -10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.154 17.616 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.503 16.818 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.750 15.170 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.156 15.874 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.225 17.238 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.964 17.095 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.886 13.930 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.781 15.001 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.533 13.904 -8.775 1.00 0.00 H new ATOM 741 N SER A 58 -5.488 16.611 -12.347 1.00 0.00 N ATOM 742 CA SER A 58 -5.758 17.406 -13.610 1.00 0.00 C ATOM 743 C SER A 58 -6.669 18.618 -13.372 1.00 0.00 C ATOM 744 O SER A 58 -6.628 19.583 -14.117 1.00 0.00 O ATOM 745 CB SER A 58 -6.459 16.455 -14.596 1.00 0.00 C ATOM 746 OG SER A 58 -6.487 17.176 -15.820 1.00 0.00 O ATOM 0 H SER A 58 -5.957 15.705 -12.322 1.00 0.00 H new ATOM 0 HA SER A 58 -4.810 17.790 -13.988 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.914 15.517 -14.699 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.465 16.204 -14.259 1.00 0.00 H new ATOM 0 HG SER A 58 -6.922 16.633 -16.510 1.00 0.00 H new ATOM 752 N GLY A 59 -7.461 18.508 -12.337 1.00 0.00 N ATOM 753 CA GLY A 59 -8.427 19.574 -11.928 1.00 0.00 C ATOM 754 C GLY A 59 -9.116 19.102 -10.653 1.00 0.00 C ATOM 755 O GLY A 59 -9.342 19.888 -9.746 1.00 0.00 O ATOM 0 H GLY A 59 -7.478 17.687 -11.733 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.908 20.517 -11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.159 19.752 -12.716 1.00 0.00 H new ATOM 759 N GLY A 60 -9.407 17.809 -10.636 1.00 0.00 N ATOM 760 CA GLY A 60 -10.083 17.158 -9.464 1.00 0.00 C ATOM 761 C GLY A 60 -10.364 15.669 -9.728 1.00 0.00 C ATOM 762 O GLY A 60 -11.210 15.111 -9.055 1.00 0.00 O ATOM 0 H GLY A 60 -9.197 17.172 -11.404 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.455 17.259 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.020 17.673 -9.251 1.00 0.00 H new ATOM 766 N GLU A 61 -9.663 15.090 -10.728 1.00 0.00 N ATOM 767 CA GLU A 61 -9.795 13.619 -11.150 1.00 0.00 C ATOM 768 C GLU A 61 -8.382 13.165 -11.552 1.00 0.00 C ATOM 769 O GLU A 61 -7.523 14.015 -11.730 1.00 0.00 O ATOM 770 CB GLU A 61 -10.701 13.441 -12.435 1.00 0.00 C ATOM 771 CG GLU A 61 -12.065 14.177 -12.396 1.00 0.00 C ATOM 772 CD GLU A 61 -12.961 13.602 -13.494 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.772 14.023 -14.624 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.783 12.772 -13.143 1.00 0.00 O ATOM 0 H GLU A 61 -8.981 15.604 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.239 13.054 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.143 13.792 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.886 12.377 -12.584 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.535 14.052 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.922 15.247 -12.546 1.00 0.00 H new ATOM 781 N GLY A 62 -8.171 11.850 -11.672 1.00 0.00 N ATOM 782 CA GLY A 62 -6.813 11.311 -12.065 1.00 0.00 C ATOM 783 C GLY A 62 -6.846 9.793 -12.275 1.00 0.00 C ATOM 784 O GLY A 62 -6.412 9.048 -11.409 1.00 0.00 O ATOM 0 H GLY A 62 -8.883 11.137 -11.514 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.479 11.798 -12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.086 11.556 -11.291 1.00 0.00 H new ATOM 788 N THR A 63 -7.330 9.410 -13.452 1.00 0.00 N ATOM 789 CA THR A 63 -7.446 7.962 -13.864 1.00 0.00 C ATOM 790 C THR A 63 -6.047 7.428 -14.215 1.00 0.00 C ATOM 791 O THR A 63 -5.204 8.209 -14.629 1.00 0.00 O ATOM 792 CB THR A 63 -8.341 7.953 -15.150 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.368 8.883 -14.867 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.128 6.633 -15.436 1.00 0.00 C ATOM 0 H THR A 63 -7.658 10.066 -14.161 1.00 0.00 H new ATOM 0 HA THR A 63 -7.869 7.344 -13.072 1.00 0.00 H new ATOM 0 HB THR A 63 -7.677 8.136 -15.995 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.978 8.939 -15.632 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.710 6.747 -16.350 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.425 5.809 -15.554 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.798 6.421 -14.603 1.00 0.00 H new ATOM 802 N THR A 64 -5.839 6.121 -13.991 1.00 0.00 N ATOM 803 CA THR A 64 -4.497 5.459 -14.298 1.00 0.00 C ATOM 804 C THR A 64 -4.592 3.912 -14.387 1.00 0.00 C ATOM 805 O THR A 64 -5.251 3.297 -13.567 1.00 0.00 O ATOM 806 CB THR A 64 -3.404 5.863 -13.240 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.487 4.787 -13.217 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.864 5.954 -11.750 1.00 0.00 C ATOM 0 H THR A 64 -6.543 5.489 -13.609 1.00 0.00 H new ATOM 0 HA THR A 64 -4.202 5.828 -15.280 1.00 0.00 H new ATOM 0 HB THR A 64 -3.054 6.849 -13.546 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.774 4.979 -12.573 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.018 6.240 -11.125 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.653 6.701 -11.658 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.242 4.984 -11.426 1.00 0.00 H new ATOM 816 N SER A 65 -3.901 3.358 -15.401 1.00 0.00 N ATOM 817 CA SER A 65 -3.853 1.868 -15.675 1.00 0.00 C ATOM 818 C SER A 65 -2.671 1.222 -14.913 1.00 0.00 C ATOM 819 O SER A 65 -1.528 1.528 -15.226 1.00 0.00 O ATOM 820 CB SER A 65 -3.626 1.693 -17.194 1.00 0.00 C ATOM 821 OG SER A 65 -4.922 1.861 -17.750 1.00 0.00 O ATOM 0 H SER A 65 -3.355 3.909 -16.064 1.00 0.00 H new ATOM 0 HA SER A 65 -4.778 1.392 -15.349 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.925 2.432 -17.582 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.215 0.711 -17.427 1.00 0.00 H new ATOM 0 HG SER A 65 -4.875 1.767 -18.724 1.00 0.00 H new ATOM 827 N VAL A 66 -3.009 0.371 -13.919 1.00 0.00 N ATOM 828 CA VAL A 66 -1.993 -0.379 -13.035 1.00 0.00 C ATOM 829 C VAL A 66 -2.047 -1.876 -13.450 1.00 0.00 C ATOM 830 O VAL A 66 -3.113 -2.366 -13.788 1.00 0.00 O ATOM 831 CB VAL A 66 -2.421 -0.115 -11.491 1.00 0.00 C ATOM 832 CG1 VAL A 66 -1.816 -1.164 -10.435 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.072 1.386 -11.049 1.00 0.00 C ATOM 0 H VAL A 66 -3.979 0.162 -13.681 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.963 -0.041 -13.154 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.500 -0.267 -11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.156 -0.907 -9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.154 -2.169 -10.687 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.727 -1.128 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.368 1.538 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.000 1.555 -11.149 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.610 2.087 -11.686 1.00 0.00 H new ATOM 843 N VAL A 67 -0.871 -2.531 -13.354 1.00 0.00 N ATOM 844 CA VAL A 67 -0.662 -4.011 -13.706 1.00 0.00 C ATOM 845 C VAL A 67 -0.844 -4.813 -12.389 1.00 0.00 C ATOM 846 O VAL A 67 -0.578 -4.265 -11.331 1.00 0.00 O ATOM 847 CB VAL A 67 0.848 -4.259 -14.269 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.962 -5.557 -15.215 1.00 0.00 C ATOM 849 CG2 VAL A 67 1.443 -2.972 -15.019 1.00 0.00 C ATOM 0 H VAL A 67 -0.017 -2.075 -13.032 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.369 -4.321 -14.475 1.00 0.00 H new ATOM 0 HB VAL A 67 1.453 -4.444 -13.382 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.991 -5.668 -15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.669 -6.444 -14.653 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.304 -5.439 -16.076 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.450 -3.191 -15.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.807 -2.718 -15.867 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.477 -2.131 -14.327 1.00 0.00 H new ATOM 859 N VAL A 68 -1.320 -6.070 -12.524 1.00 0.00 N ATOM 860 CA VAL A 68 -1.576 -7.041 -11.358 1.00 0.00 C ATOM 861 C VAL A 68 -1.053 -8.480 -11.730 1.00 0.00 C ATOM 862 O VAL A 68 -1.744 -9.288 -12.341 1.00 0.00 O ATOM 863 CB VAL A 68 -3.151 -7.075 -10.958 1.00 0.00 C ATOM 864 CG1 VAL A 68 -3.513 -5.991 -9.846 1.00 0.00 C ATOM 865 CG2 VAL A 68 -4.113 -6.951 -12.227 1.00 0.00 C ATOM 0 H VAL A 68 -1.548 -6.472 -13.433 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.027 -6.687 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.328 -8.059 -10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.576 -6.051 -9.611 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.931 -6.185 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.280 -4.994 -10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.152 -6.980 -11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.920 -6.009 -12.739 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.924 -7.780 -12.909 1.00 0.00 H new ATOM 875 N ARG A 69 0.198 -8.713 -11.352 1.00 0.00 N ATOM 876 CA ARG A 69 0.923 -10.030 -11.598 1.00 0.00 C ATOM 877 C ARG A 69 0.611 -10.998 -10.441 1.00 0.00 C ATOM 878 O ARG A 69 0.321 -10.551 -9.343 1.00 0.00 O ATOM 879 CB ARG A 69 2.471 -9.734 -11.611 1.00 0.00 C ATOM 880 CG ARG A 69 3.000 -9.044 -12.943 1.00 0.00 C ATOM 881 CD ARG A 69 3.450 -10.029 -14.073 1.00 0.00 C ATOM 882 NE ARG A 69 3.548 -9.249 -15.338 1.00 0.00 N ATOM 883 CZ ARG A 69 4.694 -9.168 -15.955 1.00 0.00 C ATOM 884 NH1 ARG A 69 5.007 -10.086 -16.829 1.00 0.00 N ATOM 885 NH2 ARG A 69 5.490 -8.172 -15.678 1.00 0.00 N ATOM 0 H ARG A 69 0.768 -8.021 -10.866 1.00 0.00 H new ATOM 0 HA ARG A 69 0.606 -10.473 -12.542 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.712 -9.092 -10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.008 -10.671 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.213 -8.401 -13.337 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.842 -8.399 -12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.411 -10.481 -13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.733 -10.843 -14.180 1.00 0.00 H new ATOM 0 HE ARG A 69 2.725 -8.782 -15.719 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.359 -10.851 -17.020 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.899 -10.039 -17.321 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.212 -7.473 -14.989 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.390 -8.092 -16.151 1.00 0.00 H new ATOM 899 N ARG A 70 0.698 -12.305 -10.736 1.00 0.00 N ATOM 900 CA ARG A 70 0.427 -13.415 -9.731 1.00 0.00 C ATOM 901 C ARG A 70 1.475 -13.480 -8.581 1.00 0.00 C ATOM 902 O ARG A 70 1.180 -14.074 -7.557 1.00 0.00 O ATOM 903 CB ARG A 70 0.485 -14.740 -10.596 1.00 0.00 C ATOM 904 CG ARG A 70 0.147 -16.148 -9.915 1.00 0.00 C ATOM 905 CD ARG A 70 -1.200 -16.252 -9.140 1.00 0.00 C ATOM 906 NE ARG A 70 -1.559 -17.693 -9.012 1.00 0.00 N ATOM 907 CZ ARG A 70 -2.414 -18.061 -8.099 1.00 0.00 C ATOM 908 NH1 ARG A 70 -3.686 -17.862 -8.309 1.00 0.00 N ATOM 909 NH2 ARG A 70 -1.967 -18.616 -7.005 1.00 0.00 N ATOM 0 H ARG A 70 0.954 -12.649 -11.662 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.527 -13.255 -9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.199 -14.611 -11.435 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.490 -14.813 -11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.150 -16.911 -10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.955 -16.394 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.107 -15.795 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.985 -15.711 -9.669 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.140 -18.385 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.997 -17.425 -9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.369 -18.144 -7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.965 -18.755 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.620 -18.911 -6.279 1.00 0.00 H new ATOM 923 N SER A 71 2.660 -12.908 -8.812 1.00 0.00 N ATOM 924 CA SER A 71 3.786 -12.889 -7.791 1.00 0.00 C ATOM 925 C SER A 71 4.725 -11.718 -8.083 1.00 0.00 C ATOM 926 O SER A 71 4.865 -11.349 -9.237 1.00 0.00 O ATOM 927 CB SER A 71 4.586 -14.193 -7.948 1.00 0.00 C ATOM 928 OG SER A 71 3.906 -15.129 -7.129 1.00 0.00 O ATOM 0 H SER A 71 2.894 -12.443 -9.689 1.00 0.00 H new ATOM 0 HA SER A 71 3.376 -12.790 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.611 -14.520 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.620 -14.065 -7.629 1.00 0.00 H new ATOM 0 HG SER A 71 2.957 -14.889 -7.076 1.00 0.00 H new ATOM 934 N PHE A 72 5.305 -11.140 -7.014 1.00 0.00 N ATOM 935 CA PHE A 72 6.266 -9.959 -7.154 1.00 0.00 C ATOM 936 C PHE A 72 7.187 -9.831 -5.935 1.00 0.00 C ATOM 937 O PHE A 72 6.798 -10.186 -4.832 1.00 0.00 O ATOM 938 CB PHE A 72 5.459 -8.618 -7.361 1.00 0.00 C ATOM 939 CG PHE A 72 4.166 -8.515 -6.416 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.248 -8.014 -5.081 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.862 -8.862 -6.875 1.00 0.00 C ATOM 942 CE1 PHE A 72 3.122 -7.878 -4.304 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.762 -8.708 -6.057 1.00 0.00 C ATOM 944 CZ PHE A 72 1.894 -8.221 -4.785 1.00 0.00 C ATOM 0 H PHE A 72 5.149 -11.441 -6.052 1.00 0.00 H new ATOM 0 HA PHE A 72 6.890 -10.145 -8.028 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.116 -7.771 -7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.148 -8.544 -8.403 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.210 -7.738 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.734 -9.250 -7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.212 -7.494 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.783 -8.976 -6.426 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.021 -8.108 -4.159 1.00 0.00 H new ATOM 954 N THR A 73 8.388 -9.316 -6.211 1.00 0.00 N ATOM 955 CA THR A 73 9.453 -9.094 -5.182 1.00 0.00 C ATOM 956 C THR A 73 9.037 -7.949 -4.226 1.00 0.00 C ATOM 957 O THR A 73 9.100 -6.786 -4.598 1.00 0.00 O ATOM 958 CB THR A 73 10.736 -8.733 -6.010 1.00 0.00 C ATOM 959 OG1 THR A 73 11.133 -9.970 -6.568 1.00 0.00 O ATOM 960 CG2 THR A 73 12.011 -8.294 -5.209 1.00 0.00 C ATOM 0 H THR A 73 8.667 -9.035 -7.151 1.00 0.00 H new ATOM 0 HA THR A 73 9.625 -9.964 -4.549 1.00 0.00 H new ATOM 0 HB THR A 73 10.458 -7.902 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.938 -9.840 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.821 -8.075 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.784 -7.403 -4.624 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.316 -9.099 -4.540 1.00 0.00 H new ATOM 968 N GLY A 74 8.645 -8.337 -3.011 1.00 0.00 N ATOM 969 CA GLY A 74 8.204 -7.356 -1.946 1.00 0.00 C ATOM 970 C GLY A 74 9.405 -6.586 -1.365 1.00 0.00 C ATOM 971 O GLY A 74 10.531 -7.045 -1.501 1.00 0.00 O ATOM 0 H GLY A 74 8.614 -9.312 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.488 -6.652 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.690 -7.890 -1.147 1.00 0.00 H new ATOM 975 N TYR A 75 9.099 -5.425 -0.748 1.00 0.00 N ATOM 976 CA TYR A 75 10.128 -4.502 -0.099 1.00 0.00 C ATOM 977 C TYR A 75 9.549 -3.997 1.258 1.00 0.00 C ATOM 978 O TYR A 75 8.477 -3.402 1.280 1.00 0.00 O ATOM 979 CB TYR A 75 10.432 -3.307 -1.082 1.00 0.00 C ATOM 980 CG TYR A 75 11.987 -2.983 -1.054 1.00 0.00 C ATOM 981 CD1 TYR A 75 12.538 -2.180 -0.034 1.00 0.00 C ATOM 982 CD2 TYR A 75 12.883 -3.456 -2.047 1.00 0.00 C ATOM 983 CE1 TYR A 75 13.882 -1.869 -0.023 1.00 0.00 C ATOM 984 CE2 TYR A 75 14.222 -3.123 -2.003 1.00 0.00 C ATOM 985 CZ TYR A 75 14.727 -2.334 -0.999 1.00 0.00 C ATOM 986 OH TYR A 75 16.067 -2.009 -0.974 1.00 0.00 O ATOM 0 H TYR A 75 8.143 -5.078 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 75 11.064 -5.026 0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.122 -3.566 -2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.860 -2.426 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.898 -1.803 0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 75 12.514 -4.083 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.276 -1.248 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 75 14.885 -3.490 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 75 16.518 -2.423 -1.739 1.00 0.00 H new ATOM 996 N VAL A 76 10.269 -4.335 2.356 1.00 0.00 N ATOM 997 CA VAL A 76 9.889 -3.950 3.792 1.00 0.00 C ATOM 998 C VAL A 76 10.823 -2.792 4.230 1.00 0.00 C ATOM 999 O VAL A 76 11.994 -3.017 4.458 1.00 0.00 O ATOM 1000 CB VAL A 76 10.073 -5.274 4.730 1.00 0.00 C ATOM 1001 CG1 VAL A 76 10.105 -4.971 6.318 1.00 0.00 C ATOM 1002 CG2 VAL A 76 8.937 -6.353 4.401 1.00 0.00 C ATOM 0 H VAL A 76 11.130 -4.879 2.302 1.00 0.00 H new ATOM 0 HA VAL A 76 8.856 -3.612 3.877 1.00 0.00 H new ATOM 0 HB VAL A 76 11.057 -5.672 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.230 -5.906 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.937 -4.304 6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.169 -4.498 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.073 -7.230 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.956 -5.918 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.007 -6.648 3.354 1.00 0.00 H new ATOM 1055 N GLY A 80 15.502 -2.548 5.045 1.00 0.00 N ATOM 1056 CA GLY A 80 15.585 -3.974 4.536 1.00 0.00 C ATOM 1057 C GLY A 80 15.890 -4.940 5.753 1.00 0.00 C ATOM 1058 O GLY A 80 15.655 -4.484 6.864 1.00 0.00 O ATOM 0 HA2 GLY A 80 14.648 -4.257 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.368 -4.060 3.782 1.00 0.00 H new ATOM 1062 N PRO A 81 16.340 -6.261 5.604 1.00 0.00 N ATOM 1063 CA PRO A 81 16.594 -7.041 4.321 1.00 0.00 C ATOM 1064 C PRO A 81 15.324 -7.363 3.514 1.00 0.00 C ATOM 1065 O PRO A 81 14.240 -7.409 4.075 1.00 0.00 O ATOM 1066 CB PRO A 81 17.197 -8.387 4.787 1.00 0.00 C ATOM 1067 CG PRO A 81 17.236 -8.401 6.322 1.00 0.00 C ATOM 1068 CD PRO A 81 16.672 -7.075 6.826 1.00 0.00 C ATOM 0 HA PRO A 81 17.229 -6.443 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.598 -9.219 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.201 -8.512 4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.651 -9.235 6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.258 -8.538 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.784 -7.238 7.437 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.399 -6.557 7.452 1.00 0.00 H new ATOM 1076 N GLU A 82 15.535 -7.584 2.211 1.00 0.00 N ATOM 1077 CA GLU A 82 14.430 -7.919 1.233 1.00 0.00 C ATOM 1078 C GLU A 82 13.903 -9.355 1.524 1.00 0.00 C ATOM 1079 O GLU A 82 14.693 -10.232 1.859 1.00 0.00 O ATOM 1080 CB GLU A 82 15.095 -7.836 -0.198 1.00 0.00 C ATOM 1081 CG GLU A 82 14.108 -7.558 -1.377 1.00 0.00 C ATOM 1082 CD GLU A 82 14.858 -7.799 -2.695 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.459 -6.841 -3.153 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.790 -8.923 -3.170 1.00 0.00 O ATOM 0 H GLU A 82 16.460 -7.542 1.783 1.00 0.00 H new ATOM 0 HA GLU A 82 13.580 -7.241 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.850 -7.050 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.615 -8.774 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.239 -8.213 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.739 -6.533 -1.331 1.00 0.00 H new ATOM 1091 N VAL A 83 12.576 -9.518 1.387 1.00 0.00 N ATOM 1092 CA VAL A 83 11.868 -10.851 1.630 1.00 0.00 C ATOM 1093 C VAL A 83 11.993 -11.816 0.431 1.00 0.00 C ATOM 1094 O VAL A 83 12.126 -13.011 0.648 1.00 0.00 O ATOM 1095 CB VAL A 83 10.303 -10.627 1.962 1.00 0.00 C ATOM 1096 CG1 VAL A 83 10.059 -10.459 3.533 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.610 -9.434 1.149 1.00 0.00 C ATOM 0 H VAL A 83 11.947 -8.764 1.111 1.00 0.00 H new ATOM 0 HA VAL A 83 12.367 -11.304 2.487 1.00 0.00 H new ATOM 0 HB VAL A 83 9.812 -11.537 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.996 -10.310 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.398 -11.356 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.617 -9.596 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.561 -9.359 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.117 -8.496 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.679 -9.634 0.080 1.00 0.00 H new ATOM 1107 N GLY A 84 11.914 -11.253 -0.769 1.00 0.00 N ATOM 1108 CA GLY A 84 12.011 -12.005 -2.064 1.00 0.00 C ATOM 1109 C GLY A 84 10.605 -12.296 -2.573 1.00 0.00 C ATOM 1110 O GLY A 84 9.648 -11.698 -2.104 1.00 0.00 O ATOM 0 H GLY A 84 11.779 -10.250 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.564 -11.420 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.559 -12.936 -1.919 1.00 0.00 H new ATOM 1114 N ALA A 85 10.559 -13.177 -3.542 1.00 0.00 N ATOM 1115 CA ALA A 85 9.275 -13.618 -4.199 1.00 0.00 C ATOM 1116 C ALA A 85 8.297 -14.326 -3.239 1.00 0.00 C ATOM 1117 O ALA A 85 8.658 -15.346 -2.663 1.00 0.00 O ATOM 1118 CB ALA A 85 9.655 -14.610 -5.312 1.00 0.00 C ATOM 0 H ALA A 85 11.390 -13.630 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 85 8.765 -12.727 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.752 -14.956 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.306 -14.116 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.177 -15.462 -4.877 1.00 0.00 H new ATOM 1124 N VAL A 86 7.117 -13.685 -3.058 1.00 0.00 N ATOM 1125 CA VAL A 86 5.991 -14.184 -2.167 1.00 0.00 C ATOM 1126 C VAL A 86 4.669 -14.058 -2.974 1.00 0.00 C ATOM 1127 O VAL A 86 4.470 -13.071 -3.670 1.00 0.00 O ATOM 1128 CB VAL A 86 6.001 -13.362 -0.764 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.532 -11.835 -0.874 1.00 0.00 C ATOM 1130 CG2 VAL A 86 5.237 -14.141 0.402 1.00 0.00 C ATOM 0 H VAL A 86 6.898 -12.802 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 86 6.110 -15.231 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 86 7.055 -13.308 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.572 -11.370 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.193 -11.299 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.511 -11.794 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.272 -13.551 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.198 -14.301 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.719 -15.104 0.573 1.00 0.00 H new ATOM 1140 N ASP A 87 3.836 -15.087 -2.843 1.00 0.00 N ATOM 1141 CA ASP A 87 2.498 -15.157 -3.550 1.00 0.00 C ATOM 1142 C ASP A 87 1.418 -14.430 -2.740 1.00 0.00 C ATOM 1143 O ASP A 87 1.435 -14.491 -1.524 1.00 0.00 O ATOM 1144 CB ASP A 87 2.092 -16.641 -3.652 1.00 0.00 C ATOM 1145 CG ASP A 87 2.526 -17.196 -5.009 1.00 0.00 C ATOM 1146 OD1 ASP A 87 3.719 -17.413 -5.148 1.00 0.00 O ATOM 1147 OD2 ASP A 87 1.642 -17.368 -5.832 1.00 0.00 O ATOM 0 H ASP A 87 4.037 -15.899 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 87 2.587 -14.690 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.556 -17.212 -2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.013 -16.743 -3.534 1.00 0.00 H new ATOM 1152 N CYS A 88 0.502 -13.791 -3.459 1.00 0.00 N ATOM 1153 CA CYS A 88 -0.638 -13.020 -2.844 1.00 0.00 C ATOM 1154 C CYS A 88 -1.805 -13.930 -2.401 1.00 0.00 C ATOM 1155 O CYS A 88 -2.457 -13.648 -1.411 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.148 -12.081 -3.952 1.00 0.00 C ATOM 1157 SG CYS A 88 -2.650 -11.137 -3.631 1.00 0.00 S ATOM 0 H CYS A 88 0.504 -13.776 -4.479 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.288 -12.500 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.352 -11.374 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.314 -12.680 -4.848 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.004 -15.008 -3.144 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.106 -16.007 -2.862 1.00 0.00 C ATOM 1164 C ASP A 89 -2.914 -16.869 -1.594 1.00 0.00 C ATOM 1165 O ASP A 89 -3.907 -17.255 -0.992 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.131 -16.965 -4.067 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.764 -16.256 -5.266 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -3.021 -15.558 -5.938 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -4.954 -16.454 -5.444 1.00 0.00 O ATOM 0 H ASP A 89 -1.433 -15.243 -3.956 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.021 -15.438 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.118 -17.285 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.698 -17.863 -3.820 1.00 0.00 H new ATOM 1174 N THR A 90 -1.665 -17.059 -1.182 1.00 0.00 N ATOM 1175 CA THR A 90 -1.337 -17.903 0.050 1.00 0.00 C ATOM 1176 C THR A 90 -1.547 -17.149 1.377 1.00 0.00 C ATOM 1177 O THR A 90 -1.831 -17.801 2.379 1.00 0.00 O ATOM 1178 CB THR A 90 0.176 -18.311 -0.005 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.852 -17.176 -0.497 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.525 -19.433 -1.034 1.00 0.00 C ATOM 0 H THR A 90 -0.848 -16.664 -1.648 1.00 0.00 H new ATOM 0 HA THR A 90 -2.010 -18.760 0.028 1.00 0.00 H new ATOM 0 HB THR A 90 0.444 -18.666 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.812 -17.366 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.594 -19.643 -0.995 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.031 -20.338 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.256 -19.103 -2.037 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.463 -15.810 1.340 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.650 -14.962 2.601 1.00 0.00 C ATOM 1190 C ALA A 91 -3.148 -15.019 3.143 1.00 0.00 C ATOM 1191 O ALA A 91 -4.005 -15.247 2.302 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.329 -13.493 2.253 1.00 0.00 C ATOM 0 H ALA A 91 -1.274 -15.273 0.494 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.987 -15.356 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.457 -12.873 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.299 -13.419 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.004 -13.149 1.469 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.495 -14.777 4.491 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.931 -14.851 4.952 1.00 0.00 C ATOM 1200 C PRO A 92 -5.796 -13.662 4.476 1.00 0.00 C ATOM 1201 O PRO A 92 -6.866 -13.887 3.933 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.844 -14.823 6.496 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.481 -14.218 6.862 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.573 -14.399 5.641 1.00 0.00 C ATOM 0 HA PRO A 92 -5.407 -15.742 4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.655 -14.228 6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.941 -15.829 6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.582 -13.163 7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.059 -14.716 7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.028 -13.481 5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.830 -15.176 5.818 1.00 0.00 H new ATOM 1212 N GLY A 93 -5.289 -12.441 4.680 1.00 0.00 N ATOM 1213 CA GLY A 93 -6.020 -11.183 4.273 1.00 0.00 C ATOM 1214 C GLY A 93 -6.049 -10.988 2.754 1.00 0.00 C ATOM 1215 O GLY A 93 -7.061 -10.566 2.218 1.00 0.00 O ATOM 0 H GLY A 93 -4.384 -12.272 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.042 -11.222 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.541 -10.321 4.738 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.906 -11.256 2.129 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.734 -11.122 0.627 1.00 0.00 C ATOM 1221 C GLY A 94 -4.487 -9.654 0.220 1.00 0.00 C ATOM 1222 O GLY A 94 -4.527 -8.767 1.056 1.00 0.00 O ATOM 0 H GLY A 94 -4.065 -11.570 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.897 -11.739 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.624 -11.497 0.122 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.231 -9.464 -1.066 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.960 -8.097 -1.648 1.00 0.00 C ATOM 1228 C CYS A 95 -5.214 -7.210 -1.671 1.00 0.00 C ATOM 1229 O CYS A 95 -6.308 -7.724 -1.857 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.504 -8.306 -3.097 1.00 0.00 C ATOM 1231 SG CYS A 95 -1.992 -9.254 -3.348 1.00 0.00 S ATOM 0 H CYS A 95 -4.198 -10.219 -1.751 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.211 -7.599 -1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.310 -8.803 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.370 -7.326 -3.555 1.00 0.00 H new ATOM 1236 N GLU A 96 -4.987 -5.908 -1.449 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.064 -4.839 -1.424 1.00 0.00 C ATOM 1238 C GLU A 96 -5.440 -3.549 -1.990 1.00 0.00 C ATOM 1239 O GLU A 96 -4.391 -3.138 -1.508 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.476 -4.515 0.061 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.642 -5.370 0.632 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.658 -5.198 2.153 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.225 -4.206 2.579 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -7.103 -6.070 2.802 1.00 0.00 O ATOM 0 H GLU A 96 -4.053 -5.537 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.929 -5.182 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.603 -4.649 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.756 -3.463 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.592 -5.052 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.509 -6.419 0.369 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.111 -2.958 -2.986 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.646 -1.686 -3.654 1.00 0.00 C ATOM 1253 C ILE A 97 -6.084 -0.582 -2.667 1.00 0.00 C ATOM 1254 O ILE A 97 -7.143 -0.716 -2.080 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.379 -1.501 -5.089 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.630 -2.870 -5.929 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -5.652 -0.378 -6.003 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.447 -3.901 -6.064 1.00 0.00 C ATOM 0 H ILE A 97 -6.984 -3.324 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.575 -1.672 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.377 -1.149 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.471 -3.390 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.940 -2.588 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.176 -0.288 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.672 0.581 -5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.618 -0.671 -6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.776 -4.758 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.603 -3.423 -6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.142 -4.237 -5.073 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.181 0.399 -2.440 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.407 1.585 -1.501 1.00 0.00 C ATOM 1272 C VAL A 98 -5.041 2.839 -2.336 1.00 0.00 C ATOM 1273 O VAL A 98 -4.062 2.819 -3.065 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.472 1.503 -0.166 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.961 2.505 1.001 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.381 0.015 0.394 1.00 0.00 C ATOM 0 H VAL A 98 -4.266 0.415 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.436 1.603 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.478 1.823 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.302 2.407 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.931 3.531 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.981 2.254 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.750 -0.001 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.379 -0.339 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.951 -0.635 -0.368 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.922 3.841 -2.232 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.817 5.191 -2.936 1.00 0.00 C ATOM 1288 C VAL A 99 -5.941 6.210 -1.775 1.00 0.00 C ATOM 1289 O VAL A 99 -6.759 6.015 -0.886 1.00 0.00 O ATOM 1290 CB VAL A 99 -7.022 5.394 -4.011 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.746 6.618 -5.016 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -7.313 4.055 -4.827 1.00 0.00 C ATOM 0 H VAL A 99 -6.757 3.767 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.894 5.297 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.911 5.641 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.579 6.711 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.645 7.541 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.827 6.432 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.123 4.229 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.416 3.757 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.599 3.262 -4.136 1.00 0.00 H new ATOM 1302 N GLY A 100 -5.101 7.242 -1.803 1.00 0.00 N ATOM 1303 CA GLY A 100 -5.120 8.303 -0.730 1.00 0.00 C ATOM 1304 C GLY A 100 -4.025 9.332 -0.981 1.00 0.00 C ATOM 1305 O GLY A 100 -2.995 9.000 -1.546 1.00 0.00 O ATOM 0 H GLY A 100 -4.402 7.389 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.093 8.795 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.978 7.843 0.248 1.00 0.00 H new ATOM 1309 N GLY A 101 -4.279 10.544 -0.492 1.00 0.00 N ATOM 1310 CA GLY A 101 -3.321 11.700 -0.634 1.00 0.00 C ATOM 1311 C GLY A 101 -2.189 11.629 0.392 1.00 0.00 C ATOM 1312 O GLY A 101 -2.148 10.731 1.221 1.00 0.00 O ATOM 0 H GLY A 101 -5.135 10.777 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.900 11.702 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.863 12.638 -0.513 1.00 0.00 H new ATOM 1316 N ASN A 102 -1.359 12.663 0.349 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.175 12.791 1.273 1.00 0.00 C ATOM 1318 C ASN A 102 -0.569 13.226 2.703 1.00 0.00 C ATOM 1319 O ASN A 102 0.230 13.039 3.611 1.00 0.00 O ATOM 1320 CB ASN A 102 0.781 13.848 0.660 1.00 0.00 C ATOM 1321 CG ASN A 102 0.158 15.251 0.673 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.714 15.566 -0.115 1.00 0.00 O ATOM 1323 ND2 ASN A 102 0.585 16.128 1.542 1.00 0.00 N ATOM 0 H ASN A 102 -1.460 13.439 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 102 0.298 11.813 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.717 13.860 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.025 13.567 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.188 17.067 1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.316 15.873 2.207 1.00 0.00 H new ATOM 1330 N THR A 103 -1.797 13.758 2.860 1.00 0.00 N ATOM 1331 CA THR A 103 -2.310 14.232 4.210 1.00 0.00 C ATOM 1332 C THR A 103 -2.586 13.062 5.183 1.00 0.00 C ATOM 1333 O THR A 103 -1.868 12.947 6.164 1.00 0.00 O ATOM 1334 CB THR A 103 -3.635 15.051 4.009 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.344 14.394 2.974 1.00 0.00 O ATOM 1336 CG2 THR A 103 -3.431 16.494 3.448 1.00 0.00 C ATOM 0 H THR A 103 -2.462 13.879 2.096 1.00 0.00 H new ATOM 0 HA THR A 103 -1.531 14.854 4.650 1.00 0.00 H new ATOM 0 HB THR A 103 -4.116 15.113 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.187 14.864 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.399 16.983 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.808 17.067 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.943 16.440 2.475 1.00 0.00 H new ATOM 1344 N GLY A 104 -3.573 12.208 4.872 1.00 0.00 N ATOM 1345 CA GLY A 104 -3.907 11.040 5.777 1.00 0.00 C ATOM 1346 C GLY A 104 -5.203 10.325 5.361 1.00 0.00 C ATOM 1347 O GLY A 104 -5.697 9.518 6.131 1.00 0.00 O ATOM 0 H GLY A 104 -4.151 12.278 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.082 10.327 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.005 11.396 6.803 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.699 10.631 4.157 1.00 0.00 N ATOM 1352 CA GLU A 105 -6.972 10.007 3.605 1.00 0.00 C ATOM 1353 C GLU A 105 -6.710 8.539 3.218 1.00 0.00 C ATOM 1354 O GLU A 105 -5.567 8.160 3.026 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.357 10.804 2.300 1.00 0.00 C ATOM 1356 CG GLU A 105 -8.050 12.179 2.557 1.00 0.00 C ATOM 1357 CD GLU A 105 -9.577 12.009 2.567 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -10.081 11.691 3.632 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -10.153 12.216 1.511 1.00 0.00 O ATOM 0 H GLU A 105 -5.262 11.302 3.525 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.766 10.046 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.454 10.972 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.020 10.186 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.716 12.590 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.761 12.891 1.784 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.792 7.748 3.192 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.738 6.270 2.833 1.00 0.00 C ATOM 1368 C TYR A 106 -9.102 5.835 2.270 1.00 0.00 C ATOM 1369 O TYR A 106 -10.095 6.506 2.501 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.368 5.378 4.095 1.00 0.00 C ATOM 1371 CG TYR A 106 -8.444 5.492 5.283 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -8.401 6.556 6.220 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -9.453 4.507 5.502 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -9.287 6.613 7.275 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -10.318 4.603 6.571 1.00 0.00 C ATOM 1376 CZ TYR A 106 -10.243 5.646 7.458 1.00 0.00 C ATOM 1377 OH TYR A 106 -11.121 5.724 8.519 1.00 0.00 O ATOM 0 H TYR A 106 -8.731 8.081 3.411 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.960 6.127 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.287 4.336 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.389 5.677 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.662 7.335 6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.540 3.674 4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.227 7.436 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.070 3.841 6.713 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.731 4.957 8.496 1.00 0.00 H new ATOM 1387 N GLY A 107 -9.091 4.736 1.524 1.00 0.00 N ATOM 1388 CA GLY A 107 -10.341 4.177 0.901 1.00 0.00 C ATOM 1389 C GLY A 107 -10.013 2.847 0.215 1.00 0.00 C ATOM 1390 O GLY A 107 -9.797 2.819 -0.987 1.00 0.00 O ATOM 0 H GLY A 107 -8.248 4.199 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.106 4.027 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.747 4.883 0.176 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.997 1.790 1.028 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.693 0.387 0.550 1.00 0.00 C ATOM 1396 C ASN A 108 -10.781 -0.192 -0.387 1.00 0.00 C ATOM 1397 O ASN A 108 -11.913 0.275 -0.364 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.558 -0.513 1.808 1.00 0.00 C ATOM 1399 CG ASN A 108 -10.888 -0.614 2.573 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -11.283 0.290 3.285 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -11.598 -1.705 2.469 1.00 0.00 N ATOM 0 H ASN A 108 -10.188 1.851 2.028 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.774 0.417 -0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.231 -1.509 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.789 -0.108 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.475 -1.794 2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.276 -2.469 1.875 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.367 -1.159 -1.232 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.304 -1.845 -2.224 1.00 0.00 C ATOM 1410 C ALA A 109 -10.710 -3.211 -2.677 1.00 0.00 C ATOM 1411 O ALA A 109 -9.793 -3.257 -3.487 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.508 -0.922 -3.465 1.00 0.00 C ATOM 0 H ALA A 109 -9.406 -1.499 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.263 -2.026 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.176 -1.409 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.944 0.025 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.546 -0.736 -3.942 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.247 -4.289 -2.088 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.804 -5.703 -2.397 1.00 0.00 C ATOM 1420 C ALA A 110 -11.249 -6.172 -3.791 1.00 0.00 C ATOM 1421 O ALA A 110 -12.216 -5.647 -4.321 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.472 -6.621 -1.364 1.00 0.00 C ATOM 0 H ALA A 110 -11.990 -4.234 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.715 -5.736 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.178 -7.654 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.158 -6.330 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.555 -6.532 -1.445 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.480 -7.151 -4.314 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.683 -7.815 -5.685 1.00 0.00 C ATOM 1430 C ILE A 111 -10.998 -9.334 -5.439 1.00 0.00 C ATOM 1431 O ILE A 111 -11.029 -9.718 -4.281 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.341 -7.564 -6.580 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -7.951 -7.858 -5.761 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.369 -6.049 -7.152 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.762 -8.392 -6.637 1.00 0.00 C ATOM 0 H ILE A 111 -9.678 -7.532 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.520 -7.392 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.351 -8.278 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.635 -6.938 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.157 -8.584 -4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.477 -5.870 -7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.256 -5.910 -7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.393 -5.346 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.889 -8.555 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.050 -9.332 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.520 -7.660 -7.407 1.00 0.00 H new ATOM 1447 N SER A 112 -11.276 -10.123 -6.507 1.00 0.00 N ATOM 1448 CA SER A 112 -11.591 -11.607 -6.363 1.00 0.00 C ATOM 1449 C SER A 112 -11.291 -12.383 -7.665 1.00 0.00 C ATOM 1450 O SER A 112 -11.825 -12.051 -8.701 1.00 0.00 O ATOM 1451 CB SER A 112 -13.095 -11.732 -6.060 1.00 0.00 C ATOM 1452 OG SER A 112 -13.682 -10.657 -6.779 1.00 0.00 O ATOM 0 H SER A 112 -11.294 -9.785 -7.469 1.00 0.00 H new ATOM 0 HA SER A 112 -10.973 -12.026 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.489 -12.694 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.295 -11.653 -4.991 1.00 0.00 H new ATOM 0 HG SER A 112 -13.397 -10.696 -7.716 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.450 -13.419 -7.552 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.058 -14.279 -8.737 1.00 0.00 C ATOM 1460 C PHE A 113 -11.203 -15.224 -9.117 1.00 0.00 C ATOM 1461 O PHE A 113 -12.060 -15.503 -8.290 1.00 0.00 O ATOM 1462 CB PHE A 113 -8.848 -15.162 -8.329 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.777 -14.312 -7.512 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -6.911 -13.406 -8.172 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.633 -14.420 -6.098 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -5.979 -12.677 -7.466 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.687 -13.671 -5.431 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.870 -12.809 -6.110 1.00 0.00 C ATOM 0 H PHE A 113 -10.018 -13.701 -6.672 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.819 -13.627 -9.577 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.192 -16.001 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.382 -15.582 -9.220 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.982 -13.285 -9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.270 -15.094 -5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.327 -11.994 -7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.590 -13.766 -4.360 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.135 -12.230 -5.571 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.166 -15.682 -10.365 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.210 -16.624 -10.920 1.00 0.00 C ATOM 1480 C GLY A 114 -12.092 -18.021 -10.293 1.00 0.00 C ATOM 1481 O GLY A 114 -10.966 -18.477 -10.198 1.00 0.00 O ATOM 1482 OXT GLY A 114 -13.137 -18.548 -9.948 1.00 0.00 O ATOM 0 H GLY A 114 -10.437 -15.433 -11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.205 -16.221 -10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.098 -16.698 -12.002 1.00 0.00 H new