USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 524 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 13 THR OG1 : rot 33:sc= 0.538 USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.052) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 106:sc= 1.27 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= -0.0302 (180deg=-0.14) USER MOD Single : A 31 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 34 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.6!) USER MOD Single : A 35 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0764) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 72:sc= 0.161 USER MOD Single : A 60 MET CE :methyl 157:sc= -0.955 (180deg=-2.95!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 76:sc= -0.698 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.088 USER MOD Single : A 70 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.019) USER MOD Single : A 73 SER OG : rot -36:sc= 0.206 USER MOD Single : A 76 LYS NZ :NH3+ 146:sc= -0.0692 (180deg=-0.659) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 98.015 16.990 13.950 1.00 0.00 N ATOM 2 CA THR A 13 96.673 17.426 14.412 1.00 0.00 C ATOM 3 C THR A 13 96.057 16.398 15.360 1.00 0.00 C ATOM 4 O THR A 13 96.718 15.442 15.760 1.00 0.00 O ATOM 5 CB THR A 13 95.789 17.628 13.182 1.00 0.00 C ATOM 6 OG1 THR A 13 96.544 18.171 12.113 1.00 0.00 O ATOM 7 CG2 THR A 13 94.622 18.557 13.427 1.00 0.00 C ATOM 0 HA THR A 13 96.760 18.360 14.967 1.00 0.00 H new ATOM 0 HB THR A 13 95.401 16.639 12.939 1.00 0.00 H new ATOM 0 HG1 THR A 13 97.465 17.840 12.162 1.00 0.00 H new ATOM 0 HG21 THR A 13 94.037 18.655 12.513 1.00 0.00 H new ATOM 0 HG22 THR A 13 93.993 18.150 14.218 1.00 0.00 H new ATOM 0 HG23 THR A 13 94.994 19.537 13.727 1.00 0.00 H new ATOM 15 N PHE A 14 94.797 16.603 15.722 1.00 0.00 N ATOM 16 CA PHE A 14 94.102 15.699 16.632 1.00 0.00 C ATOM 17 C PHE A 14 93.060 14.861 15.895 1.00 0.00 C ATOM 18 O PHE A 14 92.747 13.742 16.303 1.00 0.00 O ATOM 19 CB PHE A 14 93.427 16.506 17.739 1.00 0.00 C ATOM 20 CG PHE A 14 93.679 15.950 19.107 1.00 0.00 C ATOM 21 CD1 PHE A 14 93.140 14.731 19.480 1.00 0.00 C ATOM 22 CD2 PHE A 14 94.470 16.637 20.014 1.00 0.00 C ATOM 23 CE1 PHE A 14 93.381 14.206 20.735 1.00 0.00 C ATOM 24 CE2 PHE A 14 94.712 16.118 21.272 1.00 0.00 C ATOM 25 CZ PHE A 14 94.167 14.901 21.633 1.00 0.00 C ATOM 0 H PHE A 14 94.233 17.389 15.399 1.00 0.00 H new ATOM 0 HA PHE A 14 94.837 15.020 17.065 1.00 0.00 H new ATOM 0 HB2 PHE A 14 93.784 17.535 17.700 1.00 0.00 H new ATOM 0 HB3 PHE A 14 92.353 16.534 17.557 1.00 0.00 H new ATOM 0 HD1 PHE A 14 92.524 14.184 18.782 1.00 0.00 H new ATOM 0 HD2 PHE A 14 94.902 17.587 19.735 1.00 0.00 H new ATOM 0 HE1 PHE A 14 92.955 13.253 21.013 1.00 0.00 H new ATOM 0 HE2 PHE A 14 95.327 16.664 21.972 1.00 0.00 H new ATOM 0 HZ PHE A 14 94.355 14.494 22.615 1.00 0.00 H new ATOM 35 N LEU A 15 92.522 15.416 14.814 1.00 0.00 N ATOM 36 CA LEU A 15 91.502 14.732 14.021 1.00 0.00 C ATOM 37 C LEU A 15 92.106 14.097 12.771 1.00 0.00 C ATOM 38 O LEU A 15 91.656 13.044 12.318 1.00 0.00 O ATOM 39 CB LEU A 15 90.405 15.720 13.620 1.00 0.00 C ATOM 40 CG LEU A 15 89.968 16.689 14.721 1.00 0.00 C ATOM 41 CD1 LEU A 15 89.113 17.805 14.140 1.00 0.00 C ATOM 42 CD2 LEU A 15 89.215 15.950 15.820 1.00 0.00 C ATOM 0 H LEU A 15 92.775 16.340 14.465 1.00 0.00 H new ATOM 0 HA LEU A 15 91.074 13.938 14.633 1.00 0.00 H new ATOM 0 HB2 LEU A 15 90.755 16.300 12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 15 89.534 15.156 13.288 1.00 0.00 H new ATOM 0 HG LEU A 15 90.860 17.134 15.161 1.00 0.00 H new ATOM 0 HD11 LEU A 15 88.811 18.485 14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 15 89.688 18.353 13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 15 88.226 17.378 13.672 1.00 0.00 H new ATOM 0 HD21 LEU A 15 88.913 16.657 16.593 1.00 0.00 H new ATOM 0 HD22 LEU A 15 88.330 15.474 15.398 1.00 0.00 H new ATOM 0 HD23 LEU A 15 89.862 15.190 16.257 1.00 0.00 H new ATOM 54 N THR A 16 93.125 14.745 12.217 1.00 0.00 N ATOM 55 CA THR A 16 93.790 14.245 11.018 1.00 0.00 C ATOM 56 C THR A 16 94.386 12.866 11.267 1.00 0.00 C ATOM 57 O THR A 16 94.512 12.058 10.346 1.00 0.00 O ATOM 58 CB THR A 16 94.888 15.212 10.573 1.00 0.00 C ATOM 59 OG1 THR A 16 94.394 16.539 10.510 1.00 0.00 O ATOM 60 CG2 THR A 16 95.472 14.871 9.217 1.00 0.00 C ATOM 0 H THR A 16 93.509 15.618 12.579 1.00 0.00 H new ATOM 0 HA THR A 16 93.045 14.166 10.227 1.00 0.00 H new ATOM 0 HB THR A 16 95.675 15.121 11.322 1.00 0.00 H new ATOM 0 HG1 THR A 16 95.112 17.142 10.225 1.00 0.00 H new ATOM 0 HG21 THR A 16 96.245 15.596 8.961 1.00 0.00 H new ATOM 0 HG22 THR A 16 95.907 13.872 9.249 1.00 0.00 H new ATOM 0 HG23 THR A 16 94.684 14.900 8.464 1.00 0.00 H new ATOM 68 N GLN A 17 94.748 12.601 12.518 1.00 0.00 N ATOM 69 CA GLN A 17 95.323 11.315 12.885 1.00 0.00 C ATOM 70 C GLN A 17 94.292 10.202 12.730 1.00 0.00 C ATOM 71 O GLN A 17 94.648 9.051 12.492 1.00 0.00 O ATOM 72 CB GLN A 17 95.848 11.350 14.323 1.00 0.00 C ATOM 73 CG GLN A 17 97.347 11.119 14.425 1.00 0.00 C ATOM 74 CD GLN A 17 97.713 10.117 15.501 1.00 0.00 C ATOM 75 OE1 GLN A 17 97.947 10.481 16.653 1.00 0.00 O ATOM 76 NE2 GLN A 17 97.763 8.844 15.126 1.00 0.00 N ATOM 0 H GLN A 17 94.653 13.259 13.292 1.00 0.00 H new ATOM 0 HA GLN A 17 96.158 11.113 12.214 1.00 0.00 H new ATOM 0 HB2 GLN A 17 95.606 12.316 14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 17 95.330 10.591 14.909 1.00 0.00 H new ATOM 0 HG2 GLN A 17 97.722 10.767 13.464 1.00 0.00 H new ATOM 0 HG3 GLN A 17 97.843 12.067 14.633 1.00 0.00 H new ATOM 0 HE21 GLN A 17 97.561 8.589 14.159 1.00 0.00 H new ATOM 0 HE22 GLN A 17 98.003 8.121 15.805 1.00 0.00 H new ATOM 85 N VAL A 18 93.015 10.559 12.865 1.00 0.00 N ATOM 86 CA VAL A 18 91.924 9.595 12.742 1.00 0.00 C ATOM 87 C VAL A 18 91.595 9.313 11.277 1.00 0.00 C ATOM 88 O VAL A 18 91.285 8.181 10.906 1.00 0.00 O ATOM 89 CB VAL A 18 90.651 10.101 13.446 1.00 0.00 C ATOM 90 CG1 VAL A 18 89.601 9.002 13.497 1.00 0.00 C ATOM 91 CG2 VAL A 18 90.978 10.604 14.845 1.00 0.00 C ATOM 0 H VAL A 18 92.711 11.513 13.060 1.00 0.00 H new ATOM 0 HA VAL A 18 92.262 8.675 13.220 1.00 0.00 H new ATOM 0 HB VAL A 18 90.245 10.935 12.873 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.708 9.375 13.997 1.00 0.00 H new ATOM 0 HG12 VAL A 18 89.347 8.694 12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.995 8.148 14.047 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.066 10.957 15.327 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.408 9.792 15.432 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.694 11.423 14.779 1.00 0.00 H new ATOM 101 N LYS A 19 91.669 10.349 10.448 1.00 0.00 N ATOM 102 CA LYS A 19 91.383 10.212 9.026 1.00 0.00 C ATOM 103 C LYS A 19 92.382 9.274 8.376 1.00 0.00 C ATOM 104 O LYS A 19 92.017 8.228 7.837 1.00 0.00 O ATOM 105 CB LYS A 19 91.445 11.578 8.347 1.00 0.00 C ATOM 106 CG LYS A 19 90.282 11.847 7.407 1.00 0.00 C ATOM 107 CD LYS A 19 90.243 13.302 6.970 1.00 0.00 C ATOM 108 CE LYS A 19 88.890 13.670 6.384 1.00 0.00 C ATOM 109 NZ LYS A 19 88.552 12.830 5.200 1.00 0.00 N ATOM 0 H LYS A 19 91.925 11.293 10.737 1.00 0.00 H new ATOM 0 HA LYS A 19 90.381 9.798 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 19 91.469 12.354 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 19 92.378 11.654 7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 19 90.366 11.205 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 19 89.346 11.590 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 19 90.459 13.945 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 19 91.023 13.482 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 19 88.120 13.551 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 19 88.893 14.721 6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 87.672 13.177 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 89.324 12.883 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 88.424 11.842 5.500 1.00 0.00 H new ATOM 123 N GLU A 20 93.651 9.652 8.444 1.00 0.00 N ATOM 124 CA GLU A 20 94.713 8.838 7.872 1.00 0.00 C ATOM 125 C GLU A 20 94.732 7.458 8.526 1.00 0.00 C ATOM 126 O GLU A 20 95.310 6.513 7.988 1.00 0.00 O ATOM 127 CB GLU A 20 96.070 9.530 8.036 1.00 0.00 C ATOM 128 CG GLU A 20 96.317 10.636 7.017 1.00 0.00 C ATOM 129 CD GLU A 20 97.471 10.326 6.082 1.00 0.00 C ATOM 130 OE1 GLU A 20 97.364 9.347 5.316 1.00 0.00 O ATOM 131 OE2 GLU A 20 98.479 11.061 6.119 1.00 0.00 O ATOM 0 H GLU A 20 93.969 10.514 8.888 1.00 0.00 H new ATOM 0 HA GLU A 20 94.520 8.715 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 20 96.135 9.951 9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 20 96.861 8.785 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 20 95.412 10.792 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 20 96.521 11.569 7.542 1.00 0.00 H new ATOM 138 N SER A 21 94.086 7.348 9.688 1.00 0.00 N ATOM 139 CA SER A 21 94.016 6.093 10.414 1.00 0.00 C ATOM 140 C SER A 21 92.908 5.203 9.870 1.00 0.00 C ATOM 141 O SER A 21 93.159 4.088 9.415 1.00 0.00 O ATOM 142 CB SER A 21 93.752 6.384 11.885 1.00 0.00 C ATOM 143 OG SER A 21 94.740 5.801 12.718 1.00 0.00 O ATOM 0 H SER A 21 93.603 8.122 10.143 1.00 0.00 H new ATOM 0 HA SER A 21 94.964 5.570 10.293 1.00 0.00 H new ATOM 0 HB2 SER A 21 93.730 7.462 12.045 1.00 0.00 H new ATOM 0 HB3 SER A 21 92.770 6.001 12.162 1.00 0.00 H new ATOM 0 HG SER A 21 94.542 6.008 13.655 1.00 0.00 H new ATOM 149 N LEU A 22 91.678 5.702 9.931 1.00 0.00 N ATOM 150 CA LEU A 22 90.528 4.949 9.454 1.00 0.00 C ATOM 151 C LEU A 22 90.679 4.617 7.980 1.00 0.00 C ATOM 152 O LEU A 22 90.228 3.569 7.516 1.00 0.00 O ATOM 153 CB LEU A 22 89.241 5.736 9.688 1.00 0.00 C ATOM 154 CG LEU A 22 88.174 4.989 10.484 1.00 0.00 C ATOM 155 CD1 LEU A 22 88.125 5.496 11.915 1.00 0.00 C ATOM 156 CD2 LEU A 22 86.815 5.127 9.818 1.00 0.00 C ATOM 0 H LEU A 22 91.454 6.624 10.306 1.00 0.00 H new ATOM 0 HA LEU A 22 90.474 4.016 10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 89.486 6.660 10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 22 88.823 6.019 8.722 1.00 0.00 H new ATOM 0 HG LEU A 22 88.437 3.931 10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 22 87.359 4.952 12.468 1.00 0.00 H new ATOM 0 HD12 LEU A 22 89.094 5.340 12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 22 87.887 6.560 11.916 1.00 0.00 H new ATOM 0 HD21 LEU A 22 86.068 4.588 10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 22 86.542 6.181 9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 22 86.859 4.712 8.811 1.00 0.00 H new ATOM 168 N SER A 23 91.331 5.511 7.253 1.00 0.00 N ATOM 169 CA SER A 23 91.558 5.306 5.834 1.00 0.00 C ATOM 170 C SER A 23 92.520 4.150 5.632 1.00 0.00 C ATOM 171 O SER A 23 92.284 3.267 4.812 1.00 0.00 O ATOM 172 CB SER A 23 92.101 6.586 5.190 1.00 0.00 C ATOM 173 OG SER A 23 91.780 6.644 3.811 1.00 0.00 O ATOM 0 H SER A 23 91.711 6.383 7.622 1.00 0.00 H new ATOM 0 HA SER A 23 90.612 5.062 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 23 91.686 7.456 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 23 93.183 6.628 5.316 1.00 0.00 H new ATOM 0 HG SER A 23 92.137 7.472 3.427 1.00 0.00 H new ATOM 178 N SER A 24 93.593 4.150 6.411 1.00 0.00 N ATOM 179 CA SER A 24 94.586 3.089 6.338 1.00 0.00 C ATOM 180 C SER A 24 94.020 1.782 6.882 1.00 0.00 C ATOM 181 O SER A 24 94.432 0.700 6.465 1.00 0.00 O ATOM 182 CB SER A 24 95.838 3.476 7.116 1.00 0.00 C ATOM 183 OG SER A 24 96.412 4.663 6.597 1.00 0.00 O ATOM 0 H SER A 24 93.797 4.873 7.101 1.00 0.00 H new ATOM 0 HA SER A 24 94.851 2.945 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 24 95.588 3.618 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 24 96.565 2.665 7.068 1.00 0.00 H new ATOM 0 HG SER A 24 96.226 5.409 7.204 1.00 0.00 H new ATOM 189 N TYR A 25 93.062 1.887 7.805 1.00 0.00 N ATOM 190 CA TYR A 25 92.432 0.719 8.389 1.00 0.00 C ATOM 191 C TYR A 25 91.859 -0.159 7.287 1.00 0.00 C ATOM 192 O TYR A 25 91.848 -1.385 7.389 1.00 0.00 O ATOM 193 CB TYR A 25 91.330 1.180 9.335 1.00 0.00 C ATOM 194 CG TYR A 25 91.365 0.521 10.696 1.00 0.00 C ATOM 195 CD1 TYR A 25 90.857 -0.758 10.887 1.00 0.00 C ATOM 196 CD2 TYR A 25 91.902 1.184 11.793 1.00 0.00 C ATOM 197 CE1 TYR A 25 90.885 -1.359 12.132 1.00 0.00 C ATOM 198 CE2 TYR A 25 91.935 0.590 13.039 1.00 0.00 C ATOM 199 CZ TYR A 25 91.425 -0.681 13.205 1.00 0.00 C ATOM 200 OH TYR A 25 91.454 -1.277 14.445 1.00 0.00 O ATOM 0 H TYR A 25 92.710 2.776 8.160 1.00 0.00 H new ATOM 0 HA TYR A 25 93.164 0.135 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 25 91.406 2.260 9.464 1.00 0.00 H new ATOM 0 HB3 TYR A 25 90.363 0.982 8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 25 90.433 -1.292 10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 25 92.300 2.180 11.669 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.486 -2.354 12.264 1.00 0.00 H new ATOM 0 HE2 TYR A 25 92.358 1.118 13.880 1.00 0.00 H new ATOM 0 HH TYR A 25 91.867 -0.667 15.091 1.00 0.00 H new ATOM 210 N TRP A 26 91.400 0.494 6.226 1.00 0.00 N ATOM 211 CA TRP A 26 90.834 -0.195 5.077 1.00 0.00 C ATOM 212 C TRP A 26 91.780 -0.119 3.879 1.00 0.00 C ATOM 213 O TRP A 26 91.669 -0.909 2.941 1.00 0.00 O ATOM 214 CB TRP A 26 89.473 0.415 4.725 1.00 0.00 C ATOM 215 CG TRP A 26 88.355 -0.581 4.756 1.00 0.00 C ATOM 216 CD1 TRP A 26 87.614 -0.949 5.843 1.00 0.00 C ATOM 217 CD2 TRP A 26 87.856 -1.346 3.652 1.00 0.00 C ATOM 218 NE1 TRP A 26 86.689 -1.900 5.482 1.00 0.00 N ATOM 219 CE2 TRP A 26 86.816 -2.158 4.143 1.00 0.00 C ATOM 220 CE3 TRP A 26 88.186 -1.424 2.296 1.00 0.00 C ATOM 221 CZ2 TRP A 26 86.107 -3.036 3.327 1.00 0.00 C ATOM 222 CZ3 TRP A 26 87.480 -2.296 1.487 1.00 0.00 C ATOM 223 CH2 TRP A 26 86.450 -3.092 2.005 1.00 0.00 C ATOM 0 H TRP A 26 91.410 1.510 6.140 1.00 0.00 H new ATOM 0 HA TRP A 26 90.697 -1.246 5.332 1.00 0.00 H new ATOM 0 HB2 TRP A 26 89.252 1.222 5.424 1.00 0.00 H new ATOM 0 HB3 TRP A 26 89.527 0.860 3.731 1.00 0.00 H new ATOM 0 HD1 TRP A 26 87.737 -0.551 6.840 1.00 0.00 H new ATOM 0 HE1 TRP A 26 86.017 -2.342 6.110 1.00 0.00 H new ATOM 0 HE3 TRP A 26 88.978 -0.814 1.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 85.314 -3.651 3.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 87.727 -2.364 0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 26 85.917 -3.763 1.347 1.00 0.00 H new ATOM 234 N GLU A 27 92.721 0.828 3.916 1.00 0.00 N ATOM 235 CA GLU A 27 93.682 0.989 2.823 1.00 0.00 C ATOM 236 C GLU A 27 94.686 -0.155 2.808 1.00 0.00 C ATOM 237 O GLU A 27 95.081 -0.633 1.744 1.00 0.00 O ATOM 238 CB GLU A 27 94.431 2.321 2.942 1.00 0.00 C ATOM 239 CG GLU A 27 94.771 2.953 1.600 1.00 0.00 C ATOM 240 CD GLU A 27 95.827 2.176 0.841 1.00 0.00 C ATOM 241 OE1 GLU A 27 97.028 2.398 1.103 1.00 0.00 O ATOM 242 OE2 GLU A 27 95.454 1.347 -0.016 1.00 0.00 O ATOM 0 H GLU A 27 92.837 1.489 4.684 1.00 0.00 H new ATOM 0 HA GLU A 27 93.118 0.980 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 27 93.824 3.019 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 27 95.352 2.161 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 27 93.867 3.018 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.121 3.973 1.761 1.00 0.00 H new ATOM 249 N SER A 28 95.094 -0.593 3.993 1.00 0.00 N ATOM 250 CA SER A 28 96.048 -1.685 4.106 1.00 0.00 C ATOM 251 C SER A 28 95.428 -2.975 3.603 1.00 0.00 C ATOM 252 O SER A 28 96.075 -3.759 2.908 1.00 0.00 O ATOM 253 CB SER A 28 96.509 -1.847 5.551 1.00 0.00 C ATOM 254 OG SER A 28 97.068 -3.131 5.767 1.00 0.00 O ATOM 0 H SER A 28 94.780 -0.210 4.884 1.00 0.00 H new ATOM 0 HA SER A 28 96.918 -1.450 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 28 97.247 -1.081 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 28 95.665 -1.696 6.224 1.00 0.00 H new ATOM 0 HG SER A 28 97.357 -3.209 6.700 1.00 0.00 H new ATOM 260 N ALA A 29 94.159 -3.177 3.932 1.00 0.00 N ATOM 261 CA ALA A 29 93.446 -4.357 3.482 1.00 0.00 C ATOM 262 C ALA A 29 93.389 -4.349 1.963 1.00 0.00 C ATOM 263 O ALA A 29 93.450 -5.395 1.320 1.00 0.00 O ATOM 264 CB ALA A 29 92.049 -4.400 4.082 1.00 0.00 C ATOM 0 H ALA A 29 93.607 -2.540 4.507 1.00 0.00 H new ATOM 0 HA ALA A 29 93.972 -5.252 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 29 91.530 -5.293 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 29 92.121 -4.424 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 29 91.494 -3.514 3.775 1.00 0.00 H new ATOM 270 N LYS A 30 93.311 -3.143 1.400 1.00 0.00 N ATOM 271 CA LYS A 30 93.285 -2.966 -0.046 1.00 0.00 C ATOM 272 C LYS A 30 94.705 -3.036 -0.600 1.00 0.00 C ATOM 273 O LYS A 30 94.918 -3.358 -1.768 1.00 0.00 O ATOM 274 CB LYS A 30 92.651 -1.621 -0.412 1.00 0.00 C ATOM 275 CG LYS A 30 91.157 -1.549 -0.139 1.00 0.00 C ATOM 276 CD LYS A 30 90.362 -1.376 -1.426 1.00 0.00 C ATOM 277 CE LYS A 30 90.121 0.095 -1.740 1.00 0.00 C ATOM 278 NZ LYS A 30 91.389 0.809 -2.064 1.00 0.00 N ATOM 0 H LYS A 30 93.265 -2.272 1.929 1.00 0.00 H new ATOM 0 HA LYS A 30 92.685 -3.764 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 30 93.151 -0.831 0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 30 92.827 -1.423 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 30 90.835 -2.458 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 30 90.949 -0.717 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 30 90.899 -1.842 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 89.406 -1.891 -1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 30 89.432 0.179 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 30 89.642 0.575 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 91.171 1.768 -2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 91.981 0.869 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 91.901 0.289 -2.805 1.00 0.00 H new ATOM 292 N THR A 31 95.678 -2.739 0.261 1.00 0.00 N ATOM 293 CA THR A 31 97.078 -2.772 -0.119 1.00 0.00 C ATOM 294 C THR A 31 97.557 -4.213 -0.225 1.00 0.00 C ATOM 295 O THR A 31 98.012 -4.653 -1.283 1.00 0.00 O ATOM 296 CB THR A 31 97.911 -2.019 0.913 1.00 0.00 C ATOM 297 OG1 THR A 31 97.611 -0.635 0.885 1.00 0.00 O ATOM 298 CG2 THR A 31 99.398 -2.171 0.704 1.00 0.00 C ATOM 0 H THR A 31 95.514 -2.472 1.232 1.00 0.00 H new ATOM 0 HA THR A 31 97.194 -2.291 -1.090 1.00 0.00 H new ATOM 0 HB THR A 31 97.649 -2.460 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 31 96.737 -0.481 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 31 99.932 -1.611 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 31 99.669 -3.225 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 31 99.668 -1.787 -0.280 1.00 0.00 H new ATOM 306 N ALA A 32 97.442 -4.945 0.878 1.00 0.00 N ATOM 307 CA ALA A 32 97.848 -6.338 0.901 1.00 0.00 C ATOM 308 C ALA A 32 96.990 -7.140 -0.068 1.00 0.00 C ATOM 309 O ALA A 32 97.406 -8.181 -0.574 1.00 0.00 O ATOM 310 CB ALA A 32 97.752 -6.894 2.314 1.00 0.00 C ATOM 0 H ALA A 32 97.072 -4.595 1.762 1.00 0.00 H new ATOM 0 HA ALA A 32 98.888 -6.416 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 32 98.060 -7.940 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.404 -6.323 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 32 96.723 -6.818 2.666 1.00 0.00 H new ATOM 316 N ALA A 33 95.797 -6.622 -0.350 1.00 0.00 N ATOM 317 CA ALA A 33 94.892 -7.267 -1.289 1.00 0.00 C ATOM 318 C ALA A 33 95.296 -6.926 -2.717 1.00 0.00 C ATOM 319 O ALA A 33 94.998 -7.668 -3.652 1.00 0.00 O ATOM 320 CB ALA A 33 93.447 -6.849 -1.036 1.00 0.00 C ATOM 0 H ALA A 33 95.438 -5.759 0.059 1.00 0.00 H new ATOM 0 HA ALA A 33 94.961 -8.345 -1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 33 92.794 -7.347 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 33 93.158 -7.132 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 33 93.355 -5.769 -1.151 1.00 0.00 H new ATOM 326 N GLN A 34 95.981 -5.796 -2.881 1.00 0.00 N ATOM 327 CA GLN A 34 96.415 -5.373 -4.201 1.00 0.00 C ATOM 328 C GLN A 34 97.576 -6.232 -4.683 1.00 0.00 C ATOM 329 O GLN A 34 97.591 -6.699 -5.822 1.00 0.00 O ATOM 330 CB GLN A 34 96.793 -3.881 -4.207 1.00 0.00 C ATOM 331 CG GLN A 34 95.907 -3.046 -5.125 1.00 0.00 C ATOM 332 CD GLN A 34 96.514 -1.708 -5.504 1.00 0.00 C ATOM 333 OE1 GLN A 34 97.701 -1.463 -5.286 1.00 0.00 O ATOM 334 NE2 GLN A 34 95.694 -0.835 -6.083 1.00 0.00 N ATOM 0 H GLN A 34 96.243 -5.166 -2.123 1.00 0.00 H new ATOM 0 HA GLN A 34 95.582 -5.507 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 34 96.725 -3.490 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 34 97.832 -3.776 -4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 34 95.703 -3.613 -6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 34 94.949 -2.875 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 34 94.717 -1.082 -6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 34 96.042 0.081 -6.366 1.00 0.00 H new ATOM 343 N ASN A 35 98.537 -6.439 -3.800 1.00 0.00 N ATOM 344 CA ASN A 35 99.704 -7.239 -4.101 1.00 0.00 C ATOM 345 C ASN A 35 99.334 -8.678 -4.422 1.00 0.00 C ATOM 346 O ASN A 35 99.914 -9.301 -5.312 1.00 0.00 O ATOM 347 CB ASN A 35 100.644 -7.208 -2.901 1.00 0.00 C ATOM 348 CG ASN A 35 102.097 -7.022 -3.299 1.00 0.00 C ATOM 349 OD1 ASN A 35 102.830 -7.993 -3.493 1.00 0.00 O ATOM 350 ND2 ASN A 35 102.521 -5.770 -3.427 1.00 0.00 N ATOM 0 H ASN A 35 98.527 -6.056 -2.855 1.00 0.00 H new ATOM 0 HA ASN A 35 100.191 -6.820 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.348 -6.399 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.541 -8.137 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 35 103.487 -5.584 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 35 101.880 -4.995 -3.257 1.00 0.00 H new ATOM 357 N LEU A 36 98.387 -9.201 -3.667 1.00 0.00 N ATOM 358 CA LEU A 36 97.938 -10.565 -3.816 1.00 0.00 C ATOM 359 C LEU A 36 97.424 -10.885 -5.217 1.00 0.00 C ATOM 360 O LEU A 36 97.614 -12.005 -5.695 1.00 0.00 O ATOM 361 CB LEU A 36 96.853 -10.825 -2.785 1.00 0.00 C ATOM 362 CG LEU A 36 97.069 -12.058 -1.912 1.00 0.00 C ATOM 363 CD1 LEU A 36 98.097 -11.766 -0.831 1.00 0.00 C ATOM 364 CD2 LEU A 36 95.754 -12.501 -1.296 1.00 0.00 C ATOM 0 H LEU A 36 97.907 -8.685 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 36 98.796 -11.219 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 36 96.772 -9.951 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 36 95.899 -10.928 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 36 97.448 -12.868 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 36 98.241 -12.654 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 36 99.044 -11.488 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.745 -10.945 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 36 95.921 -13.381 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 36 95.350 -11.696 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 36 95.045 -12.744 -2.087 1.00 0.00 H new ATOM 376 N TYR A 37 96.749 -9.940 -5.871 1.00 0.00 N ATOM 377 CA TYR A 37 96.217 -10.232 -7.205 1.00 0.00 C ATOM 378 C TYR A 37 95.817 -8.994 -8.006 1.00 0.00 C ATOM 379 O TYR A 37 95.496 -9.112 -9.182 1.00 0.00 O ATOM 380 CB TYR A 37 95.006 -11.160 -7.075 1.00 0.00 C ATOM 381 CG TYR A 37 95.226 -12.526 -7.675 1.00 0.00 C ATOM 382 CD1 TYR A 37 95.306 -12.695 -9.050 1.00 0.00 C ATOM 383 CD2 TYR A 37 95.360 -13.645 -6.866 1.00 0.00 C ATOM 384 CE1 TYR A 37 95.516 -13.943 -9.602 1.00 0.00 C ATOM 385 CE2 TYR A 37 95.570 -14.896 -7.410 1.00 0.00 C ATOM 386 CZ TYR A 37 95.647 -15.040 -8.779 1.00 0.00 C ATOM 387 OH TYR A 37 95.856 -16.284 -9.329 1.00 0.00 O ATOM 0 H TYR A 37 96.562 -9.001 -5.519 1.00 0.00 H new ATOM 0 HA TYR A 37 97.028 -10.706 -7.758 1.00 0.00 H new ATOM 0 HB2 TYR A 37 94.756 -11.272 -6.020 1.00 0.00 H new ATOM 0 HB3 TYR A 37 94.148 -10.694 -7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 37 95.202 -11.837 -9.698 1.00 0.00 H new ATOM 0 HD2 TYR A 37 95.299 -13.535 -5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 37 95.577 -14.059 -10.674 1.00 0.00 H new ATOM 0 HE2 TYR A 37 95.673 -15.757 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 37 95.928 -16.950 -8.614 1.00 0.00 H new ATOM 397 N GLU A 38 95.830 -7.820 -7.397 1.00 0.00 N ATOM 398 CA GLU A 38 95.447 -6.607 -8.124 1.00 0.00 C ATOM 399 C GLU A 38 96.571 -6.133 -9.022 1.00 0.00 C ATOM 400 O GLU A 38 96.361 -5.855 -10.202 1.00 0.00 O ATOM 401 CB GLU A 38 95.070 -5.480 -7.174 1.00 0.00 C ATOM 402 CG GLU A 38 93.603 -5.452 -6.786 1.00 0.00 C ATOM 403 CD GLU A 38 92.862 -4.273 -7.388 1.00 0.00 C ATOM 404 OE1 GLU A 38 92.833 -3.200 -6.748 1.00 0.00 O ATOM 405 OE2 GLU A 38 92.311 -4.421 -8.499 1.00 0.00 O ATOM 0 H GLU A 38 96.094 -7.675 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 38 94.579 -6.866 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 38 95.671 -5.568 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 38 95.329 -4.528 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 38 93.128 -6.378 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 38 93.519 -5.413 -5.700 1.00 0.00 H new ATOM 412 N LYS A 39 97.763 -6.031 -8.456 1.00 0.00 N ATOM 413 CA LYS A 39 98.912 -5.579 -9.221 1.00 0.00 C ATOM 414 C LYS A 39 99.368 -6.665 -10.180 1.00 0.00 C ATOM 415 O LYS A 39 99.779 -6.382 -11.306 1.00 0.00 O ATOM 416 CB LYS A 39 100.064 -5.172 -8.302 1.00 0.00 C ATOM 417 CG LYS A 39 100.456 -6.234 -7.292 1.00 0.00 C ATOM 418 CD LYS A 39 101.581 -5.749 -6.389 1.00 0.00 C ATOM 419 CE LYS A 39 102.912 -5.697 -7.116 1.00 0.00 C ATOM 420 NZ LYS A 39 103.288 -4.308 -7.497 1.00 0.00 N ATOM 0 H LYS A 39 97.958 -6.253 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 39 98.609 -4.702 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 39 100.933 -4.929 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 39 99.785 -4.264 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 39 99.590 -6.500 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 39 100.770 -7.138 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 39 101.338 -4.757 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 39 101.665 -6.411 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.689 -6.121 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.860 -6.317 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 104.007 -4.337 -8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.447 -3.803 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 103.673 -3.813 -6.668 1.00 0.00 H new ATOM 434 N THR A 40 99.293 -7.909 -9.727 1.00 0.00 N ATOM 435 CA THR A 40 99.690 -9.037 -10.544 1.00 0.00 C ATOM 436 C THR A 40 98.667 -9.312 -11.645 1.00 0.00 C ATOM 437 O THR A 40 98.983 -9.943 -12.654 1.00 0.00 O ATOM 438 CB THR A 40 99.882 -10.278 -9.677 1.00 0.00 C ATOM 439 OG1 THR A 40 100.661 -9.982 -8.530 1.00 0.00 O ATOM 440 CG2 THR A 40 100.564 -11.403 -10.415 1.00 0.00 C ATOM 0 H THR A 40 98.960 -8.158 -8.796 1.00 0.00 H new ATOM 0 HA THR A 40 100.638 -8.789 -11.021 1.00 0.00 H new ATOM 0 HB THR A 40 98.879 -10.594 -9.392 1.00 0.00 H new ATOM 0 HG1 THR A 40 100.769 -10.792 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 40 100.675 -12.260 -9.750 1.00 0.00 H new ATOM 0 HG22 THR A 40 99.963 -11.689 -11.278 1.00 0.00 H new ATOM 0 HG23 THR A 40 101.548 -11.075 -10.750 1.00 0.00 H new ATOM 448 N TYR A 41 97.438 -8.841 -11.442 1.00 0.00 N ATOM 449 CA TYR A 41 96.367 -9.039 -12.414 1.00 0.00 C ATOM 450 C TYR A 41 96.735 -8.463 -13.777 1.00 0.00 C ATOM 451 O TYR A 41 96.415 -9.045 -14.814 1.00 0.00 O ATOM 452 CB TYR A 41 95.080 -8.383 -11.918 1.00 0.00 C ATOM 453 CG TYR A 41 93.852 -9.250 -12.084 1.00 0.00 C ATOM 454 CD1 TYR A 41 93.470 -10.144 -11.093 1.00 0.00 C ATOM 455 CD2 TYR A 41 93.070 -9.167 -13.230 1.00 0.00 C ATOM 456 CE1 TYR A 41 92.346 -10.931 -11.238 1.00 0.00 C ATOM 457 CE2 TYR A 41 91.943 -9.950 -13.382 1.00 0.00 C ATOM 458 CZ TYR A 41 91.584 -10.832 -12.383 1.00 0.00 C ATOM 459 OH TYR A 41 90.460 -11.616 -12.529 1.00 0.00 O ATOM 0 H TYR A 41 97.160 -8.319 -10.611 1.00 0.00 H new ATOM 0 HA TYR A 41 96.216 -10.113 -12.524 1.00 0.00 H new ATOM 0 HB2 TYR A 41 95.195 -8.129 -10.864 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.929 -7.447 -12.456 1.00 0.00 H new ATOM 0 HD1 TYR A 41 94.062 -10.225 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 41 93.348 -8.479 -14.014 1.00 0.00 H new ATOM 0 HE1 TYR A 41 92.064 -11.622 -10.457 1.00 0.00 H new ATOM 0 HE2 TYR A 41 91.345 -9.873 -14.278 1.00 0.00 H new ATOM 0 HH TYR A 41 90.036 -11.423 -13.391 1.00 0.00 H new ATOM 469 N LEU A 42 97.392 -7.309 -13.769 1.00 0.00 N ATOM 470 CA LEU A 42 97.784 -6.651 -15.011 1.00 0.00 C ATOM 471 C LEU A 42 99.141 -5.953 -14.884 1.00 0.00 C ATOM 472 O LEU A 42 100.079 -6.290 -15.605 1.00 0.00 O ATOM 473 CB LEU A 42 96.712 -5.643 -15.442 1.00 0.00 C ATOM 474 CG LEU A 42 95.404 -6.256 -15.953 1.00 0.00 C ATOM 475 CD1 LEU A 42 94.217 -5.680 -15.197 1.00 0.00 C ATOM 476 CD2 LEU A 42 95.242 -6.016 -17.448 1.00 0.00 C ATOM 0 H LEU A 42 97.664 -6.811 -12.921 1.00 0.00 H new ATOM 0 HA LEU A 42 97.879 -7.424 -15.773 1.00 0.00 H new ATOM 0 HB2 LEU A 42 96.484 -4.996 -14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 42 97.127 -5.009 -16.225 1.00 0.00 H new ATOM 0 HG LEU A 42 95.442 -7.331 -15.779 1.00 0.00 H new ATOM 0 HD11 LEU A 42 93.296 -6.126 -15.572 1.00 0.00 H new ATOM 0 HD12 LEU A 42 94.321 -5.901 -14.135 1.00 0.00 H new ATOM 0 HD13 LEU A 42 94.183 -4.600 -15.342 1.00 0.00 H new ATOM 0 HD21 LEU A 42 94.307 -6.460 -17.789 1.00 0.00 H new ATOM 0 HD22 LEU A 42 95.228 -4.944 -17.645 1.00 0.00 H new ATOM 0 HD23 LEU A 42 96.076 -6.472 -17.982 1.00 0.00 H new ATOM 488 N PRO A 43 99.272 -4.961 -13.975 1.00 0.00 N ATOM 489 CA PRO A 43 100.533 -4.231 -13.792 1.00 0.00 C ATOM 490 C PRO A 43 101.603 -5.080 -13.116 1.00 0.00 C ATOM 491 O PRO A 43 102.070 -4.755 -12.025 1.00 0.00 O ATOM 492 CB PRO A 43 100.138 -3.061 -12.892 1.00 0.00 C ATOM 493 CG PRO A 43 98.969 -3.564 -12.124 1.00 0.00 C ATOM 494 CD PRO A 43 98.219 -4.467 -13.063 1.00 0.00 C ATOM 0 HA PRO A 43 100.968 -3.928 -14.744 1.00 0.00 H new ATOM 0 HB2 PRO A 43 100.955 -2.775 -12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 43 99.879 -2.179 -13.478 1.00 0.00 H new ATOM 0 HG2 PRO A 43 99.290 -4.105 -11.234 1.00 0.00 H new ATOM 0 HG3 PRO A 43 98.339 -2.741 -11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 43 97.732 -5.284 -12.531 1.00 0.00 H new ATOM 0 HD3 PRO A 43 97.440 -3.928 -13.603 1.00 0.00 H new ATOM 502 N ALA A 44 101.988 -6.168 -13.772 1.00 0.00 N ATOM 503 CA ALA A 44 103.005 -7.064 -13.236 1.00 0.00 C ATOM 504 C ALA A 44 103.701 -7.843 -14.343 1.00 0.00 C ATOM 505 O ALA A 44 104.343 -8.860 -14.088 1.00 0.00 O ATOM 506 CB ALA A 44 102.386 -8.022 -12.238 1.00 0.00 C ATOM 0 H ALA A 44 101.611 -6.451 -14.676 1.00 0.00 H new ATOM 0 HA ALA A 44 103.754 -6.453 -12.732 1.00 0.00 H new ATOM 0 HB1 ALA A 44 103.156 -8.686 -11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 44 101.941 -7.457 -11.419 1.00 0.00 H new ATOM 0 HB3 ALA A 44 101.615 -8.613 -12.731 1.00 0.00 H new ATOM 512 N VAL A 45 103.575 -7.356 -15.570 1.00 0.00 N ATOM 513 CA VAL A 45 104.196 -8.004 -16.713 1.00 0.00 C ATOM 514 C VAL A 45 105.481 -7.287 -17.082 1.00 0.00 C ATOM 515 O VAL A 45 106.488 -7.915 -17.404 1.00 0.00 O ATOM 516 CB VAL A 45 103.253 -8.021 -17.925 1.00 0.00 C ATOM 517 CG1 VAL A 45 103.832 -8.869 -19.048 1.00 0.00 C ATOM 518 CG2 VAL A 45 101.876 -8.521 -17.514 1.00 0.00 C ATOM 0 H VAL A 45 103.047 -6.513 -15.798 1.00 0.00 H new ATOM 0 HA VAL A 45 104.417 -9.034 -16.434 1.00 0.00 H new ATOM 0 HB VAL A 45 103.149 -7.003 -18.299 1.00 0.00 H new ATOM 0 HG11 VAL A 45 103.147 -8.867 -19.896 1.00 0.00 H new ATOM 0 HG12 VAL A 45 104.793 -8.457 -19.356 1.00 0.00 H new ATOM 0 HG13 VAL A 45 103.971 -9.892 -18.697 1.00 0.00 H new ATOM 0 HG21 VAL A 45 101.217 -8.528 -18.382 1.00 0.00 H new ATOM 0 HG22 VAL A 45 101.960 -9.532 -17.114 1.00 0.00 H new ATOM 0 HG23 VAL A 45 101.463 -7.862 -16.750 1.00 0.00 H new ATOM 528 N ASP A 46 105.442 -5.962 -17.017 1.00 0.00 N ATOM 529 CA ASP A 46 106.609 -5.157 -17.331 1.00 0.00 C ATOM 530 C ASP A 46 107.676 -5.325 -16.262 1.00 0.00 C ATOM 531 O ASP A 46 108.858 -5.433 -16.565 1.00 0.00 O ATOM 532 CB ASP A 46 106.227 -3.684 -17.475 1.00 0.00 C ATOM 533 CG ASP A 46 106.518 -3.158 -18.866 1.00 0.00 C ATOM 534 OD1 ASP A 46 107.676 -3.282 -19.316 1.00 0.00 O ATOM 535 OD2 ASP A 46 105.587 -2.630 -19.509 1.00 0.00 O ATOM 0 H ASP A 46 104.616 -5.426 -16.750 1.00 0.00 H new ATOM 0 HA ASP A 46 107.014 -5.501 -18.283 1.00 0.00 H new ATOM 0 HB2 ASP A 46 105.167 -3.561 -17.255 1.00 0.00 H new ATOM 0 HB3 ASP A 46 106.776 -3.093 -16.741 1.00 0.00 H new ATOM 540 N GLU A 47 107.262 -5.360 -15.008 1.00 0.00 N ATOM 541 CA GLU A 47 108.210 -5.533 -13.924 1.00 0.00 C ATOM 542 C GLU A 47 108.920 -6.873 -14.061 1.00 0.00 C ATOM 543 O GLU A 47 110.148 -6.933 -14.127 1.00 0.00 O ATOM 544 CB GLU A 47 107.500 -5.424 -12.580 1.00 0.00 C ATOM 545 CG GLU A 47 106.739 -4.116 -12.423 1.00 0.00 C ATOM 546 CD GLU A 47 105.707 -4.151 -11.313 1.00 0.00 C ATOM 547 OE1 GLU A 47 104.912 -5.114 -11.270 1.00 0.00 O ATOM 548 OE2 GLU A 47 105.688 -3.209 -10.493 1.00 0.00 O ATOM 0 H GLU A 47 106.288 -5.272 -14.718 1.00 0.00 H new ATOM 0 HA GLU A 47 108.959 -4.743 -13.975 1.00 0.00 H new ATOM 0 HB2 GLU A 47 106.807 -6.258 -12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 47 108.233 -5.512 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 47 107.449 -3.313 -12.225 1.00 0.00 H new ATOM 0 HG3 GLU A 47 106.243 -3.878 -13.364 1.00 0.00 H new ATOM 555 N LYS A 48 108.146 -7.945 -14.128 1.00 0.00 N ATOM 556 CA LYS A 48 108.713 -9.276 -14.279 1.00 0.00 C ATOM 557 C LYS A 48 109.706 -9.309 -15.440 1.00 0.00 C ATOM 558 O LYS A 48 110.735 -9.981 -15.369 1.00 0.00 O ATOM 559 CB LYS A 48 107.606 -10.310 -14.485 1.00 0.00 C ATOM 560 CG LYS A 48 107.503 -11.312 -13.347 1.00 0.00 C ATOM 561 CD LYS A 48 107.835 -12.718 -13.820 1.00 0.00 C ATOM 562 CE LYS A 48 106.652 -13.358 -14.531 1.00 0.00 C ATOM 563 NZ LYS A 48 107.068 -14.064 -15.775 1.00 0.00 N ATOM 0 H LYS A 48 107.127 -7.920 -14.080 1.00 0.00 H new ATOM 0 HA LYS A 48 109.250 -9.527 -13.364 1.00 0.00 H new ATOM 0 HB2 LYS A 48 106.652 -9.794 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS A 48 107.787 -10.846 -15.417 1.00 0.00 H new ATOM 0 HG2 LYS A 48 108.183 -11.026 -12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 48 106.495 -11.293 -12.933 1.00 0.00 H new ATOM 0 HD2 LYS A 48 108.691 -12.684 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 48 108.124 -13.332 -12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 48 106.163 -14.064 -13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 105.918 -12.591 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 106.234 -14.486 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 107.512 -13.386 -16.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 107.749 -14.813 -15.538 1.00 0.00 H new ATOM 577 N LEU A 49 109.396 -8.569 -16.504 1.00 0.00 N ATOM 578 CA LEU A 49 110.273 -8.508 -17.668 1.00 0.00 C ATOM 579 C LEU A 49 111.365 -7.451 -17.474 1.00 0.00 C ATOM 580 O LEU A 49 112.342 -7.416 -18.224 1.00 0.00 O ATOM 581 CB LEU A 49 109.459 -8.234 -18.940 1.00 0.00 C ATOM 582 CG LEU A 49 109.227 -6.763 -19.295 1.00 0.00 C ATOM 583 CD1 LEU A 49 110.417 -6.188 -20.049 1.00 0.00 C ATOM 584 CD2 LEU A 49 107.959 -6.617 -20.117 1.00 0.00 C ATOM 0 H LEU A 49 108.548 -8.007 -16.582 1.00 0.00 H new ATOM 0 HA LEU A 49 110.763 -9.475 -17.780 1.00 0.00 H new ATOM 0 HB2 LEU A 49 109.964 -8.712 -19.779 1.00 0.00 H new ATOM 0 HB3 LEU A 49 108.488 -8.718 -18.835 1.00 0.00 H new ATOM 0 HG LEU A 49 109.114 -6.202 -18.367 1.00 0.00 H new ATOM 0 HD11 LEU A 49 110.225 -5.142 -20.288 1.00 0.00 H new ATOM 0 HD12 LEU A 49 111.310 -6.260 -19.429 1.00 0.00 H new ATOM 0 HD13 LEU A 49 110.569 -6.749 -20.971 1.00 0.00 H new ATOM 0 HD21 LEU A 49 107.804 -5.567 -20.364 1.00 0.00 H new ATOM 0 HD22 LEU A 49 108.053 -7.196 -21.036 1.00 0.00 H new ATOM 0 HD23 LEU A 49 107.109 -6.984 -19.542 1.00 0.00 H new ATOM 596 N ARG A 50 111.204 -6.601 -16.456 1.00 0.00 N ATOM 597 CA ARG A 50 112.191 -5.565 -16.162 1.00 0.00 C ATOM 598 C ARG A 50 111.868 -4.839 -14.858 1.00 0.00 C ATOM 599 O ARG A 50 111.065 -3.907 -14.835 1.00 0.00 O ATOM 600 CB ARG A 50 112.285 -4.558 -17.314 1.00 0.00 C ATOM 601 CG ARG A 50 110.970 -3.864 -17.640 1.00 0.00 C ATOM 602 CD ARG A 50 111.041 -3.108 -18.957 1.00 0.00 C ATOM 603 NE ARG A 50 111.697 -1.809 -18.812 1.00 0.00 N ATOM 604 CZ ARG A 50 113.013 -1.626 -18.888 1.00 0.00 C ATOM 605 NH1 ARG A 50 113.822 -2.648 -19.144 1.00 0.00 N ATOM 606 NH2 ARG A 50 113.526 -0.416 -18.716 1.00 0.00 N ATOM 0 H ARG A 50 110.402 -6.612 -15.826 1.00 0.00 H new ATOM 0 HA ARG A 50 113.156 -6.059 -16.047 1.00 0.00 H new ATOM 0 HB2 ARG A 50 113.030 -3.803 -17.063 1.00 0.00 H new ATOM 0 HB3 ARG A 50 112.642 -5.074 -18.205 1.00 0.00 H new ATOM 0 HG2 ARG A 50 110.171 -4.604 -17.688 1.00 0.00 H new ATOM 0 HG3 ARG A 50 110.716 -3.172 -16.837 1.00 0.00 H new ATOM 0 HD2 ARG A 50 111.582 -3.707 -19.689 1.00 0.00 H new ATOM 0 HD3 ARG A 50 110.033 -2.963 -19.346 1.00 0.00 H new ATOM 0 HE ARG A 50 111.110 -0.993 -18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.436 -3.582 -19.284 1.00 0.00 H new ATOM 0 HH12 ARG A 50 114.829 -2.499 -19.201 1.00 0.00 H new ATOM 0 HH21 ARG A 50 112.912 0.376 -18.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 114.535 -0.277 -18.774 1.00 0.00 H new ATOM 620 N ASP A 51 112.512 -5.266 -13.773 1.00 0.00 N ATOM 621 CA ASP A 51 112.314 -4.652 -12.464 1.00 0.00 C ATOM 622 C ASP A 51 113.440 -5.045 -11.515 1.00 0.00 C ATOM 623 O ASP A 51 113.994 -4.202 -10.812 1.00 0.00 O ATOM 624 CB ASP A 51 110.958 -5.038 -11.866 1.00 0.00 C ATOM 625 CG ASP A 51 110.101 -3.822 -11.571 1.00 0.00 C ATOM 626 OD1 ASP A 51 109.879 -3.016 -12.500 1.00 0.00 O ATOM 627 OD2 ASP A 51 109.657 -3.673 -10.414 1.00 0.00 O ATOM 0 H ASP A 51 113.178 -6.038 -13.777 1.00 0.00 H new ATOM 0 HA ASP A 51 112.327 -3.570 -12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 51 110.430 -5.694 -12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 51 111.114 -5.603 -10.947 1.00 0.00 H new ATOM 632 N LEU A 52 113.790 -6.328 -11.513 1.00 0.00 N ATOM 633 CA LEU A 52 114.866 -6.827 -10.661 1.00 0.00 C ATOM 634 C LEU A 52 116.103 -5.933 -10.774 1.00 0.00 C ATOM 635 O LEU A 52 116.907 -5.850 -9.846 1.00 0.00 O ATOM 636 CB LEU A 52 115.219 -8.269 -11.029 1.00 0.00 C ATOM 637 CG LEU A 52 115.446 -8.526 -12.523 1.00 0.00 C ATOM 638 CD1 LEU A 52 116.795 -9.188 -12.754 1.00 0.00 C ATOM 639 CD2 LEU A 52 114.331 -9.391 -13.090 1.00 0.00 C ATOM 0 H LEU A 52 113.345 -7.041 -12.091 1.00 0.00 H new ATOM 0 HA LEU A 52 114.518 -6.808 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 52 116.120 -8.555 -10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 52 114.418 -8.922 -10.682 1.00 0.00 H new ATOM 0 HG LEU A 52 115.439 -7.566 -13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 52 116.937 -9.362 -13.821 1.00 0.00 H new ATOM 0 HD12 LEU A 52 117.588 -8.538 -12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 52 116.829 -10.140 -12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 52 114.508 -9.563 -14.152 1.00 0.00 H new ATOM 0 HD22 LEU A 52 114.309 -10.346 -12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 52 113.375 -8.884 -12.959 1.00 0.00 H new ATOM 651 N TYR A 53 116.237 -5.248 -11.911 1.00 0.00 N ATOM 652 CA TYR A 53 117.363 -4.346 -12.135 1.00 0.00 C ATOM 653 C TYR A 53 117.135 -3.012 -11.432 1.00 0.00 C ATOM 654 O TYR A 53 117.925 -2.598 -10.589 1.00 0.00 O ATOM 655 CB TYR A 53 117.570 -4.102 -13.628 1.00 0.00 C ATOM 656 CG TYR A 53 119.030 -3.974 -14.001 1.00 0.00 C ATOM 657 CD1 TYR A 53 119.861 -5.086 -14.003 1.00 0.00 C ATOM 658 CD2 TYR A 53 119.586 -2.740 -14.327 1.00 0.00 C ATOM 659 CE1 TYR A 53 121.201 -4.976 -14.318 1.00 0.00 C ATOM 660 CE2 TYR A 53 120.926 -2.624 -14.647 1.00 0.00 C ATOM 661 CZ TYR A 53 121.728 -3.744 -14.640 1.00 0.00 C ATOM 662 OH TYR A 53 123.064 -3.630 -14.953 1.00 0.00 O ATOM 0 H TYR A 53 115.579 -5.302 -12.689 1.00 0.00 H new ATOM 0 HA TYR A 53 118.254 -4.819 -11.723 1.00 0.00 H new ATOM 0 HB2 TYR A 53 117.126 -4.923 -14.191 1.00 0.00 H new ATOM 0 HB3 TYR A 53 117.043 -3.193 -13.920 1.00 0.00 H new ATOM 0 HD1 TYR A 53 119.452 -6.054 -13.754 1.00 0.00 H new ATOM 0 HD2 TYR A 53 118.961 -1.859 -14.330 1.00 0.00 H new ATOM 0 HE1 TYR A 53 121.833 -5.852 -14.312 1.00 0.00 H new ATOM 0 HE2 TYR A 53 121.342 -1.660 -14.901 1.00 0.00 H new ATOM 0 HH TYR A 53 123.274 -2.695 -15.157 1.00 0.00 H new ATOM 672 N SER A 54 116.041 -2.341 -11.781 1.00 0.00 N ATOM 673 CA SER A 54 115.716 -1.052 -11.173 1.00 0.00 C ATOM 674 C SER A 54 114.980 -1.235 -9.848 1.00 0.00 C ATOM 675 O SER A 54 114.324 -0.314 -9.364 1.00 0.00 O ATOM 676 CB SER A 54 114.879 -0.193 -12.126 1.00 0.00 C ATOM 677 OG SER A 54 115.209 1.180 -11.989 1.00 0.00 O ATOM 0 H SER A 54 115.368 -2.664 -12.476 1.00 0.00 H new ATOM 0 HA SER A 54 116.656 -0.538 -10.975 1.00 0.00 H new ATOM 0 HB2 SER A 54 115.049 -0.512 -13.154 1.00 0.00 H new ATOM 0 HB3 SER A 54 113.819 -0.339 -11.918 1.00 0.00 H new ATOM 0 HG SER A 54 114.664 1.711 -12.607 1.00 0.00 H new ATOM 683 N LYS A 55 115.111 -2.419 -9.256 1.00 0.00 N ATOM 684 CA LYS A 55 114.474 -2.703 -7.977 1.00 0.00 C ATOM 685 C LYS A 55 115.337 -3.634 -7.129 1.00 0.00 C ATOM 686 O LYS A 55 115.608 -3.344 -5.965 1.00 0.00 O ATOM 687 CB LYS A 55 113.072 -3.286 -8.170 1.00 0.00 C ATOM 688 CG LYS A 55 111.969 -2.323 -7.757 1.00 0.00 C ATOM 689 CD LYS A 55 111.082 -2.903 -6.666 1.00 0.00 C ATOM 690 CE LYS A 55 109.634 -2.997 -7.123 1.00 0.00 C ATOM 691 NZ LYS A 55 108.679 -2.870 -5.986 1.00 0.00 N ATOM 0 H LYS A 55 115.651 -3.194 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 55 114.371 -1.758 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 55 112.938 -3.557 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 55 112.982 -4.204 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 55 112.414 -1.392 -7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 55 111.359 -2.076 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 55 111.443 -3.893 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 55 111.144 -2.280 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 55 109.433 -2.214 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 55 109.474 -3.951 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 107.704 -2.940 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 108.852 -3.632 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 108.813 -1.949 -5.521 1.00 0.00 H new ATOM 705 N SER A 56 115.779 -4.744 -7.713 1.00 0.00 N ATOM 706 CA SER A 56 116.620 -5.690 -6.982 1.00 0.00 C ATOM 707 C SER A 56 118.105 -5.456 -7.256 1.00 0.00 C ATOM 708 O SER A 56 118.953 -6.236 -6.823 1.00 0.00 O ATOM 709 CB SER A 56 116.249 -7.129 -7.322 1.00 0.00 C ATOM 710 OG SER A 56 115.060 -7.519 -6.656 1.00 0.00 O ATOM 0 H SER A 56 115.573 -5.009 -8.676 1.00 0.00 H new ATOM 0 HA SER A 56 116.440 -5.521 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 56 116.116 -7.229 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 56 117.064 -7.795 -7.038 1.00 0.00 H new ATOM 0 HG SER A 56 114.842 -8.445 -6.891 1.00 0.00 H new ATOM 716 N THR A 57 118.418 -4.369 -7.955 1.00 0.00 N ATOM 717 CA THR A 57 119.804 -4.025 -8.251 1.00 0.00 C ATOM 718 C THR A 57 120.070 -2.564 -7.898 1.00 0.00 C ATOM 719 O THR A 57 121.188 -2.203 -7.534 1.00 0.00 O ATOM 720 CB THR A 57 120.148 -4.303 -9.720 1.00 0.00 C ATOM 721 OG1 THR A 57 120.030 -5.686 -10.004 1.00 0.00 O ATOM 722 CG2 THR A 57 121.552 -3.878 -10.104 1.00 0.00 C ATOM 0 H THR A 57 117.731 -3.712 -8.326 1.00 0.00 H new ATOM 0 HA THR A 57 120.449 -4.656 -7.639 1.00 0.00 H new ATOM 0 HB THR A 57 119.438 -3.712 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 57 119.083 -5.938 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.726 -4.105 -11.156 1.00 0.00 H new ATOM 0 HG22 THR A 57 121.665 -2.806 -9.940 1.00 0.00 H new ATOM 0 HG23 THR A 57 122.275 -4.417 -9.492 1.00 0.00 H new ATOM 730 N ALA A 58 119.033 -1.724 -7.988 1.00 0.00 N ATOM 731 CA ALA A 58 119.172 -0.308 -7.655 1.00 0.00 C ATOM 732 C ALA A 58 118.380 0.053 -6.400 1.00 0.00 C ATOM 733 O ALA A 58 118.921 0.662 -5.477 1.00 0.00 O ATOM 734 CB ALA A 58 118.744 0.565 -8.823 1.00 0.00 C ATOM 0 H ALA A 58 118.097 -2.000 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 58 120.226 -0.122 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 58 118.856 1.615 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 58 119.368 0.345 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 58 117.701 0.362 -9.066 1.00 0.00 H new ATOM 740 N ALA A 59 117.103 -0.323 -6.357 1.00 0.00 N ATOM 741 CA ALA A 59 116.276 -0.022 -5.188 1.00 0.00 C ATOM 742 C ALA A 59 116.827 -0.694 -3.939 1.00 0.00 C ATOM 743 O ALA A 59 116.437 -0.353 -2.825 1.00 0.00 O ATOM 744 CB ALA A 59 114.829 -0.433 -5.399 1.00 0.00 C ATOM 0 H ALA A 59 116.624 -0.828 -7.103 1.00 0.00 H new ATOM 0 HA ALA A 59 116.306 1.059 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 59 114.249 -0.192 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 59 114.419 0.104 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 59 114.779 -1.506 -5.586 1.00 0.00 H new ATOM 750 N MET A 60 117.740 -1.649 -4.119 1.00 0.00 N ATOM 751 CA MET A 60 118.329 -2.343 -2.980 1.00 0.00 C ATOM 752 C MET A 60 119.757 -1.868 -2.737 1.00 0.00 C ATOM 753 O MET A 60 120.180 -1.703 -1.592 1.00 0.00 O ATOM 754 CB MET A 60 118.305 -3.857 -3.193 1.00 0.00 C ATOM 755 CG MET A 60 119.177 -4.331 -4.344 1.00 0.00 C ATOM 756 SD MET A 60 120.695 -5.127 -3.788 1.00 0.00 S ATOM 757 CE MET A 60 121.632 -5.162 -5.313 1.00 0.00 C ATOM 0 H MET A 60 118.082 -1.955 -5.030 1.00 0.00 H new ATOM 0 HA MET A 60 117.731 -2.109 -2.099 1.00 0.00 H new ATOM 0 HB2 MET A 60 118.632 -4.348 -2.276 1.00 0.00 H new ATOM 0 HB3 MET A 60 117.278 -4.172 -3.375 1.00 0.00 H new ATOM 0 HG2 MET A 60 118.610 -5.030 -4.959 1.00 0.00 H new ATOM 0 HG3 MET A 60 119.429 -3.480 -4.977 1.00 0.00 H new ATOM 0 HE1 MET A 60 122.696 -5.232 -5.085 1.00 0.00 H new ATOM 0 HE2 MET A 60 121.331 -6.026 -5.905 1.00 0.00 H new ATOM 0 HE3 MET A 60 121.441 -4.250 -5.878 1.00 0.00 H new ATOM 767 N SER A 61 120.492 -1.637 -3.820 1.00 0.00 N ATOM 768 CA SER A 61 121.869 -1.167 -3.724 1.00 0.00 C ATOM 769 C SER A 61 121.898 0.303 -3.321 1.00 0.00 C ATOM 770 O SER A 61 122.815 0.754 -2.635 1.00 0.00 O ATOM 771 CB SER A 61 122.593 -1.360 -5.058 1.00 0.00 C ATOM 772 OG SER A 61 123.950 -0.961 -4.963 1.00 0.00 O ATOM 0 H SER A 61 120.157 -1.768 -4.774 1.00 0.00 H new ATOM 0 HA SER A 61 122.382 -1.752 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 61 122.538 -2.407 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 61 122.093 -0.780 -5.834 1.00 0.00 H new ATOM 0 HG SER A 61 124.392 -1.095 -5.827 1.00 0.00 H new ATOM 778 N THR A 62 120.880 1.043 -3.750 1.00 0.00 N ATOM 779 CA THR A 62 120.779 2.458 -3.433 1.00 0.00 C ATOM 780 C THR A 62 120.245 2.651 -2.019 1.00 0.00 C ATOM 781 O THR A 62 120.611 3.605 -1.332 1.00 0.00 O ATOM 782 CB THR A 62 119.872 3.170 -4.440 1.00 0.00 C ATOM 783 OG1 THR A 62 120.181 2.775 -5.767 1.00 0.00 O ATOM 784 CG2 THR A 62 119.983 4.677 -4.371 1.00 0.00 C ATOM 0 H THR A 62 120.114 0.683 -4.319 1.00 0.00 H new ATOM 0 HA THR A 62 121.776 2.894 -3.493 1.00 0.00 H new ATOM 0 HB THR A 62 118.856 2.879 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 62 119.950 1.830 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 62 119.317 5.125 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 62 119.702 5.017 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 62 121.010 4.976 -4.581 1.00 0.00 H new ATOM 792 N TYR A 63 119.382 1.737 -1.586 1.00 0.00 N ATOM 793 CA TYR A 63 118.804 1.799 -0.260 1.00 0.00 C ATOM 794 C TYR A 63 119.814 1.357 0.789 1.00 0.00 C ATOM 795 O TYR A 63 119.800 1.839 1.921 1.00 0.00 O ATOM 796 CB TYR A 63 117.582 0.903 -0.208 1.00 0.00 C ATOM 797 CG TYR A 63 116.319 1.626 0.194 1.00 0.00 C ATOM 798 CD1 TYR A 63 115.998 1.808 1.532 1.00 0.00 C ATOM 799 CD2 TYR A 63 115.455 2.139 -0.765 1.00 0.00 C ATOM 800 CE1 TYR A 63 114.850 2.481 1.904 1.00 0.00 C ATOM 801 CE2 TYR A 63 114.304 2.811 -0.401 1.00 0.00 C ATOM 802 CZ TYR A 63 114.007 2.979 0.935 1.00 0.00 C ATOM 803 OH TYR A 63 112.863 3.651 1.307 1.00 0.00 O ATOM 0 H TYR A 63 119.070 0.942 -2.143 1.00 0.00 H new ATOM 0 HA TYR A 63 118.518 2.829 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 63 117.434 0.447 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 63 117.766 0.092 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 63 116.656 1.417 2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.687 2.011 -1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 63 114.615 2.616 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 63 113.641 3.202 -1.158 1.00 0.00 H new ATOM 0 HH TYR A 63 112.378 3.939 0.506 1.00 0.00 H new ATOM 813 N THR A 64 120.699 0.442 0.400 1.00 0.00 N ATOM 814 CA THR A 64 121.732 -0.056 1.305 1.00 0.00 C ATOM 815 C THR A 64 122.526 1.112 1.879 1.00 0.00 C ATOM 816 O THR A 64 123.124 1.014 2.950 1.00 0.00 O ATOM 817 CB THR A 64 122.662 -1.037 0.581 1.00 0.00 C ATOM 818 OG1 THR A 64 122.474 -0.967 -0.823 1.00 0.00 O ATOM 819 CG2 THR A 64 122.451 -2.478 1.000 1.00 0.00 C ATOM 0 H THR A 64 120.722 0.031 -0.533 1.00 0.00 H new ATOM 0 HA THR A 64 121.251 -0.591 2.124 1.00 0.00 H new ATOM 0 HB THR A 64 123.672 -0.736 0.859 1.00 0.00 H new ATOM 0 HG1 THR A 64 122.900 -0.155 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 64 123.139 -3.121 0.451 1.00 0.00 H new ATOM 0 HG22 THR A 64 122.637 -2.577 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 64 121.425 -2.774 0.781 1.00 0.00 H new ATOM 827 N GLY A 65 122.498 2.225 1.157 1.00 0.00 N ATOM 828 CA GLY A 65 123.186 3.421 1.593 1.00 0.00 C ATOM 829 C GLY A 65 122.283 4.322 2.411 1.00 0.00 C ATOM 830 O GLY A 65 122.759 5.160 3.176 1.00 0.00 O ATOM 0 H GLY A 65 122.005 2.319 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 65 124.057 3.143 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 65 123.553 3.967 0.724 1.00 0.00 H new ATOM 834 N ILE A 66 120.972 4.144 2.259 1.00 0.00 N ATOM 835 CA ILE A 66 120.007 4.939 3.000 1.00 0.00 C ATOM 836 C ILE A 66 119.611 4.235 4.292 1.00 0.00 C ATOM 837 O ILE A 66 118.928 4.807 5.142 1.00 0.00 O ATOM 838 CB ILE A 66 118.743 5.217 2.162 1.00 0.00 C ATOM 839 CG1 ILE A 66 119.132 5.739 0.778 1.00 0.00 C ATOM 840 CG2 ILE A 66 117.830 6.206 2.873 1.00 0.00 C ATOM 841 CD1 ILE A 66 119.893 7.048 0.810 1.00 0.00 C ATOM 0 H ILE A 66 120.559 3.456 1.629 1.00 0.00 H new ATOM 0 HA ILE A 66 120.484 5.890 3.236 1.00 0.00 H new ATOM 0 HB ILE A 66 118.196 4.282 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 66 119.741 4.988 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.229 5.869 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 66 116.945 6.387 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 66 117.529 5.795 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 66 118.362 7.145 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.134 7.354 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.279 7.814 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 66 120.815 6.919 1.378 1.00 0.00 H new ATOM 853 N PHE A 67 120.052 2.989 4.433 1.00 0.00 N ATOM 854 CA PHE A 67 119.759 2.198 5.612 1.00 0.00 C ATOM 855 C PHE A 67 120.501 2.746 6.825 1.00 0.00 C ATOM 856 O PHE A 67 119.901 3.030 7.862 1.00 0.00 O ATOM 857 CB PHE A 67 120.167 0.751 5.347 1.00 0.00 C ATOM 858 CG PHE A 67 119.109 -0.253 5.707 1.00 0.00 C ATOM 859 CD1 PHE A 67 117.947 -0.352 4.958 1.00 0.00 C ATOM 860 CD2 PHE A 67 119.272 -1.093 6.798 1.00 0.00 C ATOM 861 CE1 PHE A 67 116.970 -1.272 5.288 1.00 0.00 C ATOM 862 CE2 PHE A 67 118.298 -2.014 7.133 1.00 0.00 C ATOM 863 CZ PHE A 67 117.144 -2.103 6.376 1.00 0.00 C ATOM 0 H PHE A 67 120.618 2.506 3.735 1.00 0.00 H new ATOM 0 HA PHE A 67 118.691 2.246 5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 67 120.415 0.641 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 67 121.072 0.529 5.912 1.00 0.00 H new ATOM 0 HD1 PHE A 67 117.803 0.297 4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 67 120.171 -1.027 7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 67 116.070 -1.341 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 67 118.438 -2.663 7.985 1.00 0.00 H new ATOM 0 HZ PHE A 67 116.381 -2.821 6.636 1.00 0.00 H new ATOM 873 N THR A 68 121.809 2.890 6.678 1.00 0.00 N ATOM 874 CA THR A 68 122.655 3.398 7.751 1.00 0.00 C ATOM 875 C THR A 68 122.276 4.830 8.141 1.00 0.00 C ATOM 876 O THR A 68 122.545 5.265 9.260 1.00 0.00 O ATOM 877 CB THR A 68 124.124 3.341 7.330 1.00 0.00 C ATOM 878 OG1 THR A 68 124.298 2.457 6.237 1.00 0.00 O ATOM 879 CG2 THR A 68 125.044 2.885 8.442 1.00 0.00 C ATOM 0 H THR A 68 122.312 2.661 5.821 1.00 0.00 H new ATOM 0 HA THR A 68 122.502 2.764 8.624 1.00 0.00 H new ATOM 0 HB THR A 68 124.388 4.362 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 68 125.244 2.435 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 68 126.072 2.866 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 68 124.969 3.575 9.283 1.00 0.00 H new ATOM 0 HG23 THR A 68 124.755 1.885 8.766 1.00 0.00 H new ATOM 887 N ASP A 69 121.659 5.560 7.212 1.00 0.00 N ATOM 888 CA ASP A 69 121.252 6.942 7.464 1.00 0.00 C ATOM 889 C ASP A 69 120.429 7.069 8.747 1.00 0.00 C ATOM 890 O ASP A 69 120.315 8.157 9.312 1.00 0.00 O ATOM 891 CB ASP A 69 120.456 7.490 6.277 1.00 0.00 C ATOM 892 CG ASP A 69 121.351 7.982 5.155 1.00 0.00 C ATOM 893 OD1 ASP A 69 122.265 7.233 4.749 1.00 0.00 O ATOM 894 OD2 ASP A 69 121.136 9.117 4.679 1.00 0.00 O ATOM 0 H ASP A 69 121.430 5.218 6.279 1.00 0.00 H new ATOM 0 HA ASP A 69 122.161 7.530 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 69 119.796 6.711 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 69 119.821 8.308 6.616 1.00 0.00 H new ATOM 899 N GLN A 70 119.859 5.958 9.204 1.00 0.00 N ATOM 900 CA GLN A 70 119.057 5.959 10.421 1.00 0.00 C ATOM 901 C GLN A 70 119.789 5.258 11.567 1.00 0.00 C ATOM 902 O GLN A 70 119.217 5.035 12.634 1.00 0.00 O ATOM 903 CB GLN A 70 117.712 5.278 10.171 1.00 0.00 C ATOM 904 CG GLN A 70 116.564 6.256 9.977 1.00 0.00 C ATOM 905 CD GLN A 70 115.407 5.986 10.917 1.00 0.00 C ATOM 906 OE1 GLN A 70 114.894 6.898 11.566 1.00 0.00 O ATOM 907 NE2 GLN A 70 114.990 4.728 10.994 1.00 0.00 N ATOM 0 H GLN A 70 119.938 5.048 8.750 1.00 0.00 H new ATOM 0 HA GLN A 70 118.887 6.997 10.707 1.00 0.00 H new ATOM 0 HB2 GLN A 70 117.793 4.645 9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 70 117.483 4.624 11.012 1.00 0.00 H new ATOM 0 HG2 GLN A 70 116.926 7.272 10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 70 116.212 6.199 8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 70 115.445 4.005 10.437 1.00 0.00 H new ATOM 0 HE22 GLN A 70 114.214 4.485 11.610 1.00 0.00 H new ATOM 916 N VAL A 71 121.055 4.918 11.343 1.00 0.00 N ATOM 917 CA VAL A 71 121.860 4.249 12.357 1.00 0.00 C ATOM 918 C VAL A 71 122.807 5.229 13.021 1.00 0.00 C ATOM 919 O VAL A 71 122.894 5.287 14.247 1.00 0.00 O ATOM 920 CB VAL A 71 122.684 3.099 11.749 1.00 0.00 C ATOM 921 CG1 VAL A 71 123.595 2.474 12.796 1.00 0.00 C ATOM 922 CG2 VAL A 71 121.767 2.051 11.138 1.00 0.00 C ATOM 0 H VAL A 71 121.545 5.096 10.466 1.00 0.00 H new ATOM 0 HA VAL A 71 121.171 3.842 13.097 1.00 0.00 H new ATOM 0 HB VAL A 71 123.311 3.509 10.958 1.00 0.00 H new ATOM 0 HG11 VAL A 71 124.167 1.664 12.344 1.00 0.00 H new ATOM 0 HG12 VAL A 71 124.279 3.230 13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 71 122.992 2.079 13.614 1.00 0.00 H new ATOM 0 HG21 VAL A 71 122.367 1.246 10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 71 121.111 1.647 11.909 1.00 0.00 H new ATOM 0 HG23 VAL A 71 121.165 2.508 10.353 1.00 0.00 H new ATOM 932 N LEU A 72 123.509 6.014 12.212 1.00 0.00 N ATOM 933 CA LEU A 72 124.427 6.989 12.744 1.00 0.00 C ATOM 934 C LEU A 72 123.660 8.236 13.150 1.00 0.00 C ATOM 935 O LEU A 72 124.110 9.012 13.992 1.00 0.00 O ATOM 936 CB LEU A 72 125.542 7.330 11.739 1.00 0.00 C ATOM 937 CG LEU A 72 125.147 7.370 10.259 1.00 0.00 C ATOM 938 CD1 LEU A 72 125.965 8.425 9.527 1.00 0.00 C ATOM 939 CD2 LEU A 72 125.352 6.009 9.610 1.00 0.00 C ATOM 0 H LEU A 72 123.454 5.988 11.194 1.00 0.00 H new ATOM 0 HA LEU A 72 124.913 6.564 13.622 1.00 0.00 H new ATOM 0 HB2 LEU A 72 125.956 8.302 12.007 1.00 0.00 H new ATOM 0 HB3 LEU A 72 126.342 6.599 11.858 1.00 0.00 H new ATOM 0 HG LEU A 72 124.090 7.629 10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 72 125.676 8.445 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 72 125.780 9.402 9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 72 127.025 8.184 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 72 125.065 6.060 8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 72 126.401 5.724 9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 72 124.736 5.267 10.118 1.00 0.00 H new ATOM 951 N SER A 73 122.480 8.410 12.556 1.00 0.00 N ATOM 952 CA SER A 73 121.635 9.553 12.864 1.00 0.00 C ATOM 953 C SER A 73 120.883 9.361 14.174 1.00 0.00 C ATOM 954 O SER A 73 120.213 10.277 14.648 1.00 0.00 O ATOM 955 CB SER A 73 120.632 9.801 11.743 1.00 0.00 C ATOM 956 OG SER A 73 120.077 11.100 11.854 1.00 0.00 O ATOM 0 H SER A 73 122.092 7.773 11.861 1.00 0.00 H new ATOM 0 HA SER A 73 122.293 10.416 12.964 1.00 0.00 H new ATOM 0 HB2 SER A 73 121.123 9.690 10.776 1.00 0.00 H new ATOM 0 HB3 SER A 73 119.838 9.055 11.785 1.00 0.00 H new ATOM 0 HG SER A 73 119.961 11.327 12.800 1.00 0.00 H new ATOM 962 N VAL A 74 120.975 8.173 14.754 1.00 0.00 N ATOM 963 CA VAL A 74 120.278 7.894 16.001 1.00 0.00 C ATOM 964 C VAL A 74 121.174 7.184 17.007 1.00 0.00 C ATOM 965 O VAL A 74 120.845 7.109 18.190 1.00 0.00 O ATOM 966 CB VAL A 74 119.039 7.024 15.748 1.00 0.00 C ATOM 967 CG1 VAL A 74 118.212 6.878 17.016 1.00 0.00 C ATOM 968 CG2 VAL A 74 118.194 7.600 14.620 1.00 0.00 C ATOM 0 H VAL A 74 121.520 7.394 14.385 1.00 0.00 H new ATOM 0 HA VAL A 74 119.980 8.858 16.414 1.00 0.00 H new ATOM 0 HB VAL A 74 119.379 6.033 15.447 1.00 0.00 H new ATOM 0 HG11 VAL A 74 117.339 6.257 16.812 1.00 0.00 H new ATOM 0 HG12 VAL A 74 118.817 6.410 17.793 1.00 0.00 H new ATOM 0 HG13 VAL A 74 117.886 7.862 17.353 1.00 0.00 H new ATOM 0 HG21 VAL A 74 117.322 6.967 14.459 1.00 0.00 H new ATOM 0 HG22 VAL A 74 117.868 8.605 14.886 1.00 0.00 H new ATOM 0 HG23 VAL A 74 118.786 7.641 13.706 1.00 0.00 H new ATOM 978 N LEU A 75 122.295 6.645 16.537 1.00 0.00 N ATOM 979 CA LEU A 75 123.209 5.926 17.420 1.00 0.00 C ATOM 980 C LEU A 75 124.630 6.506 17.392 1.00 0.00 C ATOM 981 O LEU A 75 125.422 6.236 18.295 1.00 0.00 O ATOM 982 CB LEU A 75 123.235 4.440 17.055 1.00 0.00 C ATOM 983 CG LEU A 75 121.909 3.871 16.536 1.00 0.00 C ATOM 984 CD1 LEU A 75 122.116 2.476 15.966 1.00 0.00 C ATOM 985 CD2 LEU A 75 120.856 3.853 17.637 1.00 0.00 C ATOM 0 H LEU A 75 122.591 6.691 15.562 1.00 0.00 H new ATOM 0 HA LEU A 75 122.835 6.045 18.437 1.00 0.00 H new ATOM 0 HB2 LEU A 75 124.001 4.282 16.296 1.00 0.00 H new ATOM 0 HB3 LEU A 75 123.536 3.872 17.935 1.00 0.00 H new ATOM 0 HG LEU A 75 121.549 4.520 15.738 1.00 0.00 H new ATOM 0 HD11 LEU A 75 121.165 2.087 15.602 1.00 0.00 H new ATOM 0 HD12 LEU A 75 122.828 2.522 15.142 1.00 0.00 H new ATOM 0 HD13 LEU A 75 122.503 1.819 16.745 1.00 0.00 H new ATOM 0 HD21 LEU A 75 119.925 3.445 17.243 1.00 0.00 H new ATOM 0 HD22 LEU A 75 121.204 3.232 18.463 1.00 0.00 H new ATOM 0 HD23 LEU A 75 120.685 4.869 17.994 1.00 0.00 H new ATOM 997 N LYS A 76 124.961 7.306 16.374 1.00 0.00 N ATOM 998 CA LYS A 76 126.299 7.898 16.291 1.00 0.00 C ATOM 999 C LYS A 76 126.272 9.374 16.697 1.00 0.00 C ATOM 1000 O LYS A 76 127.319 9.999 16.859 1.00 0.00 O ATOM 1001 CB LYS A 76 126.860 7.762 14.873 1.00 0.00 C ATOM 1002 CG LYS A 76 127.963 6.713 14.723 1.00 0.00 C ATOM 1003 CD LYS A 76 127.482 5.485 13.957 1.00 0.00 C ATOM 1004 CE LYS A 76 128.571 4.905 13.059 1.00 0.00 C ATOM 1005 NZ LYS A 76 128.843 5.761 11.868 1.00 0.00 N ATOM 0 H LYS A 76 124.334 7.555 15.609 1.00 0.00 H new ATOM 0 HA LYS A 76 126.945 7.358 16.983 1.00 0.00 H new ATOM 0 HB2 LYS A 76 126.044 7.511 14.196 1.00 0.00 H new ATOM 0 HB3 LYS A 76 127.251 8.729 14.557 1.00 0.00 H new ATOM 0 HG2 LYS A 76 128.814 7.154 14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 128.313 6.411 15.710 1.00 0.00 H new ATOM 0 HD2 LYS A 76 127.152 4.724 14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 76 126.617 5.753 13.350 1.00 0.00 H new ATOM 0 HE2 LYS A 76 129.489 4.787 13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 76 128.273 3.910 12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 129.853 5.708 11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 128.275 5.427 11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 128.590 6.747 12.084 1.00 0.00 H new ATOM 1019 N GLY A 77 125.070 9.925 16.853 1.00 0.00 N ATOM 1020 CA GLY A 77 124.934 11.320 17.236 1.00 0.00 C ATOM 1021 C GLY A 77 124.278 12.159 16.154 1.00 0.00 C ATOM 1022 O GLY A 77 124.689 13.291 15.900 1.00 0.00 O ATOM 0 H GLY A 77 124.188 9.430 16.721 1.00 0.00 H new ATOM 0 HA2 GLY A 77 124.344 11.386 18.150 1.00 0.00 H new ATOM 0 HA3 GLY A 77 125.919 11.729 17.461 1.00 0.00 H new ATOM 1026 N GLU A 78 123.255 11.600 15.520 1.00 0.00 N ATOM 1027 CA GLU A 78 122.529 12.287 14.462 1.00 0.00 C ATOM 1028 C GLU A 78 123.429 12.599 13.275 1.00 0.00 C ATOM 1029 O GLU A 78 123.500 13.741 12.819 1.00 0.00 O ATOM 1030 CB GLU A 78 121.878 13.560 14.993 1.00 0.00 C ATOM 1031 CG GLU A 78 120.553 13.883 14.306 1.00 0.00 C ATOM 1032 CD GLU A 78 120.125 15.331 14.466 1.00 0.00 C ATOM 1033 OE1 GLU A 78 120.725 16.204 13.803 1.00 0.00 O ATOM 1034 OE2 GLU A 78 119.181 15.590 15.242 1.00 0.00 O ATOM 0 H GLU A 78 122.907 10.663 15.724 1.00 0.00 H new ATOM 0 HA GLU A 78 121.744 11.616 14.113 1.00 0.00 H new ATOM 0 HB2 GLU A 78 121.709 13.456 16.065 1.00 0.00 H new ATOM 0 HB3 GLU A 78 122.564 14.396 14.858 1.00 0.00 H new ATOM 0 HG2 GLU A 78 120.638 13.653 13.244 1.00 0.00 H new ATOM 0 HG3 GLU A 78 119.775 13.236 14.711 1.00 0.00 H new ATOM 1041 N GLU A 79 124.098 11.571 12.761 1.00 0.00 N ATOM 1042 CA GLU A 79 124.966 11.746 11.611 1.00 0.00 C ATOM 1043 C GLU A 79 124.240 11.305 10.343 1.00 0.00 C ATOM 1044 O GLU A 79 124.644 11.737 9.244 1.00 0.00 O ATOM 1045 CB GLU A 79 126.256 10.950 11.806 1.00 0.00 C ATOM 1046 CG GLU A 79 127.277 11.135 10.694 1.00 0.00 C ATOM 1047 CD GLU A 79 128.412 12.063 11.088 1.00 0.00 C ATOM 1048 OE1 GLU A 79 128.131 13.166 11.602 1.00 0.00 O ATOM 1049 OE2 GLU A 79 129.586 11.685 10.881 1.00 0.00 O ATOM 0 H GLU A 79 124.054 10.618 13.122 1.00 0.00 H new ATOM 0 HA GLU A 79 125.226 12.800 11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 79 126.710 11.242 12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 79 126.008 9.891 11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 79 127.687 10.164 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 79 126.778 11.533 9.811 1.00 0.00 H new TER 1056 GLU A 79