USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 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 35 ASN : amide:sc= 0.215 K(o=-0.46,f=-8.8!) USER MOD Set 1.2: A 40 THR OG1 : rot -59:sc= -0.678 USER MOD Single : A 13 THR OG1 : rot -30:sc= 0.287 USER MOD Single : A 16 THR OG1 : rot -170:sc= 0.0171 USER MOD Single : A 17 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.419) 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 71:sc= 0.457 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 34:sc= 0.74 USER MOD Single : A 34 GLN : amide:sc= -0.328 X(o=-0.33,f=0.0023) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.000516) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 118:sc= 1.17 USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0109) USER MOD Single : A 56 SER OG : rot 98:sc= 0.43 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -170:sc= -1.44 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 70 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.23) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 115.006 4.271 13.230 1.00 0.00 N ATOM 2 CA THR A 13 113.648 4.630 13.714 1.00 0.00 C ATOM 3 C THR A 13 113.040 3.501 14.541 1.00 0.00 C ATOM 4 O THR A 13 113.547 2.380 14.552 1.00 0.00 O ATOM 5 CB THR A 13 112.761 4.932 12.505 1.00 0.00 C ATOM 6 OG1 THR A 13 112.894 3.924 11.520 1.00 0.00 O ATOM 7 CG2 THR A 13 113.074 6.259 11.849 1.00 0.00 C ATOM 0 HA THR A 13 113.720 5.508 14.357 1.00 0.00 H new ATOM 0 HB THR A 13 111.744 4.969 12.896 1.00 0.00 H new ATOM 0 HG1 THR A 13 113.796 3.544 11.560 1.00 0.00 H new ATOM 0 HG21 THR A 13 112.409 6.411 10.999 1.00 0.00 H new ATOM 0 HG22 THR A 13 112.931 7.064 12.570 1.00 0.00 H new ATOM 0 HG23 THR A 13 114.108 6.260 11.505 1.00 0.00 H new ATOM 15 N PHE A 14 111.946 3.811 15.229 1.00 0.00 N ATOM 16 CA PHE A 14 111.253 2.832 16.059 1.00 0.00 C ATOM 17 C PHE A 14 109.772 3.178 16.164 1.00 0.00 C ATOM 18 O PHE A 14 108.908 2.335 15.920 1.00 0.00 O ATOM 19 CB PHE A 14 111.879 2.780 17.454 1.00 0.00 C ATOM 20 CG PHE A 14 111.605 1.495 18.181 1.00 0.00 C ATOM 21 CD1 PHE A 14 110.471 1.357 18.964 1.00 0.00 C ATOM 22 CD2 PHE A 14 112.476 0.423 18.075 1.00 0.00 C ATOM 23 CE1 PHE A 14 110.209 0.173 19.627 1.00 0.00 C ATOM 24 CE2 PHE A 14 112.221 -0.763 18.735 1.00 0.00 C ATOM 25 CZ PHE A 14 111.085 -0.888 19.513 1.00 0.00 C ATOM 0 H PHE A 14 111.519 4.737 15.228 1.00 0.00 H new ATOM 0 HA PHE A 14 111.352 1.852 15.592 1.00 0.00 H new ATOM 0 HB2 PHE A 14 112.957 2.917 17.366 1.00 0.00 H new ATOM 0 HB3 PHE A 14 111.499 3.612 18.046 1.00 0.00 H new ATOM 0 HD1 PHE A 14 109.783 2.184 19.058 1.00 0.00 H new ATOM 0 HD2 PHE A 14 113.365 0.516 17.469 1.00 0.00 H new ATOM 0 HE1 PHE A 14 109.320 0.078 20.233 1.00 0.00 H new ATOM 0 HE2 PHE A 14 112.908 -1.591 18.644 1.00 0.00 H new ATOM 0 HZ PHE A 14 110.883 -1.814 20.031 1.00 0.00 H new ATOM 35 N LEU A 15 109.486 4.426 16.520 1.00 0.00 N ATOM 36 CA LEU A 15 108.108 4.888 16.651 1.00 0.00 C ATOM 37 C LEU A 15 107.434 4.969 15.285 1.00 0.00 C ATOM 38 O LEU A 15 106.226 4.765 15.164 1.00 0.00 O ATOM 39 CB LEU A 15 108.071 6.257 17.333 1.00 0.00 C ATOM 40 CG LEU A 15 109.042 7.294 16.759 1.00 0.00 C ATOM 41 CD1 LEU A 15 108.362 8.649 16.632 1.00 0.00 C ATOM 42 CD2 LEU A 15 110.286 7.400 17.628 1.00 0.00 C ATOM 0 H LEU A 15 110.190 5.136 16.723 1.00 0.00 H new ATOM 0 HA LEU A 15 107.564 4.170 17.265 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.058 6.653 17.264 1.00 0.00 H new ATOM 0 HB3 LEU A 15 108.290 6.124 18.393 1.00 0.00 H new ATOM 0 HG LEU A 15 109.345 6.967 15.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.067 9.373 16.223 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.502 8.564 15.967 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.029 8.983 17.615 1.00 0.00 H new ATOM 0 HD21 LEU A 15 110.964 8.141 17.204 1.00 0.00 H new ATOM 0 HD22 LEU A 15 110.001 7.703 18.636 1.00 0.00 H new ATOM 0 HD23 LEU A 15 110.786 6.432 17.667 1.00 0.00 H new ATOM 54 N THR A 16 108.226 5.266 14.258 1.00 0.00 N ATOM 55 CA THR A 16 107.712 5.376 12.895 1.00 0.00 C ATOM 56 C THR A 16 106.957 4.114 12.485 1.00 0.00 C ATOM 57 O THR A 16 106.089 4.156 11.614 1.00 0.00 O ATOM 58 CB THR A 16 108.860 5.634 11.917 1.00 0.00 C ATOM 59 OG1 THR A 16 109.765 6.585 12.447 1.00 0.00 O ATOM 60 CG2 THR A 16 108.395 6.145 10.570 1.00 0.00 C ATOM 0 H THR A 16 109.228 5.435 14.344 1.00 0.00 H new ATOM 0 HA THR A 16 107.017 6.215 12.866 1.00 0.00 H new ATOM 0 HB THR A 16 109.341 4.666 11.775 1.00 0.00 H new ATOM 0 HG1 THR A 16 110.401 6.855 11.752 1.00 0.00 H new ATOM 0 HG21 THR A 16 109.258 6.307 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 16 107.732 5.411 10.112 1.00 0.00 H new ATOM 0 HG23 THR A 16 107.859 7.085 10.703 1.00 0.00 H new ATOM 68 N GLN A 17 107.292 2.994 13.119 1.00 0.00 N ATOM 69 CA GLN A 17 106.642 1.723 12.819 1.00 0.00 C ATOM 70 C GLN A 17 105.130 1.829 13.008 1.00 0.00 C ATOM 71 O GLN A 17 104.358 1.269 12.231 1.00 0.00 O ATOM 72 CB GLN A 17 107.206 0.615 13.713 1.00 0.00 C ATOM 73 CG GLN A 17 107.878 -0.508 12.939 1.00 0.00 C ATOM 74 CD GLN A 17 108.093 -1.748 13.786 1.00 0.00 C ATOM 75 OE1 GLN A 17 107.882 -2.870 13.327 1.00 0.00 O ATOM 76 NE2 GLN A 17 108.517 -1.550 15.029 1.00 0.00 N ATOM 0 H GLN A 17 108.009 2.941 13.843 1.00 0.00 H new ATOM 0 HA GLN A 17 106.843 1.475 11.777 1.00 0.00 H new ATOM 0 HB2 GLN A 17 107.927 1.050 14.405 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.398 0.198 14.314 1.00 0.00 H new ATOM 0 HG2 GLN A 17 107.268 -0.764 12.073 1.00 0.00 H new ATOM 0 HG3 GLN A 17 108.839 -0.160 12.560 1.00 0.00 H new ATOM 0 HE21 GLN A 17 108.679 -0.602 15.368 1.00 0.00 H new ATOM 0 HE22 GLN A 17 108.681 -2.346 15.645 1.00 0.00 H new ATOM 85 N VAL A 18 104.720 2.553 14.044 1.00 0.00 N ATOM 86 CA VAL A 18 103.305 2.738 14.342 1.00 0.00 C ATOM 87 C VAL A 18 102.579 3.402 13.176 1.00 0.00 C ATOM 88 O VAL A 18 101.422 3.094 12.893 1.00 0.00 O ATOM 89 CB VAL A 18 103.108 3.596 15.605 1.00 0.00 C ATOM 90 CG1 VAL A 18 101.632 3.705 15.960 1.00 0.00 C ATOM 91 CG2 VAL A 18 103.901 3.024 16.772 1.00 0.00 C ATOM 0 H VAL A 18 105.351 3.023 14.694 1.00 0.00 H new ATOM 0 HA VAL A 18 102.885 1.747 14.512 1.00 0.00 H new ATOM 0 HB VAL A 18 103.482 4.598 15.396 1.00 0.00 H new ATOM 0 HG11 VAL A 18 101.517 4.316 16.856 1.00 0.00 H new ATOM 0 HG12 VAL A 18 101.092 4.168 15.134 1.00 0.00 H new ATOM 0 HG13 VAL A 18 101.228 2.710 16.145 1.00 0.00 H new ATOM 0 HG21 VAL A 18 103.748 3.645 17.655 1.00 0.00 H new ATOM 0 HG22 VAL A 18 103.562 2.009 16.979 1.00 0.00 H new ATOM 0 HG23 VAL A 18 104.961 3.008 16.519 1.00 0.00 H new ATOM 101 N LYS A 19 103.271 4.315 12.505 1.00 0.00 N ATOM 102 CA LYS A 19 102.702 5.030 11.370 1.00 0.00 C ATOM 103 C LYS A 19 102.386 4.071 10.237 1.00 0.00 C ATOM 104 O LYS A 19 101.235 3.926 9.827 1.00 0.00 O ATOM 105 CB LYS A 19 103.681 6.090 10.879 1.00 0.00 C ATOM 106 CG LYS A 19 103.031 7.430 10.570 1.00 0.00 C ATOM 107 CD LYS A 19 102.646 8.171 11.842 1.00 0.00 C ATOM 108 CE LYS A 19 101.160 8.497 11.876 1.00 0.00 C ATOM 109 NZ LYS A 19 100.427 7.665 12.872 1.00 0.00 N ATOM 0 H LYS A 19 104.231 4.578 12.729 1.00 0.00 H new ATOM 0 HA LYS A 19 101.778 5.509 11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 19 104.452 6.237 11.635 1.00 0.00 H new ATOM 0 HB3 LYS A 19 104.180 5.723 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 19 103.718 8.042 9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 19 102.144 7.272 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.905 7.564 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.223 9.093 11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 19 101.026 9.552 12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 19 100.732 8.339 10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 99.558 8.157 13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.180 6.749 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 101.031 7.507 13.704 1.00 0.00 H new ATOM 123 N GLU A 20 103.426 3.411 9.740 1.00 0.00 N ATOM 124 CA GLU A 20 103.269 2.450 8.656 1.00 0.00 C ATOM 125 C GLU A 20 102.250 1.383 9.037 1.00 0.00 C ATOM 126 O GLU A 20 101.669 0.725 8.174 1.00 0.00 O ATOM 127 CB GLU A 20 104.611 1.799 8.318 1.00 0.00 C ATOM 128 CG GLU A 20 105.604 2.752 7.675 1.00 0.00 C ATOM 129 CD GLU A 20 107.021 2.212 7.686 1.00 0.00 C ATOM 130 OE1 GLU A 20 107.398 1.554 8.679 1.00 0.00 O ATOM 131 OE2 GLU A 20 107.754 2.448 6.703 1.00 0.00 O ATOM 0 H GLU A 20 104.385 3.524 10.070 1.00 0.00 H new ATOM 0 HA GLU A 20 102.908 2.981 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 20 105.048 1.393 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 20 104.439 0.959 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 20 105.301 2.947 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 20 105.579 3.706 8.201 1.00 0.00 H new ATOM 138 N SER A 21 102.037 1.222 10.340 1.00 0.00 N ATOM 139 CA SER A 21 101.090 0.245 10.846 1.00 0.00 C ATOM 140 C SER A 21 99.662 0.765 10.730 1.00 0.00 C ATOM 141 O SER A 21 98.818 0.150 10.078 1.00 0.00 O ATOM 142 CB SER A 21 101.423 -0.066 12.299 1.00 0.00 C ATOM 143 OG SER A 21 101.517 -1.462 12.518 1.00 0.00 O ATOM 0 H SER A 21 102.512 1.761 11.064 1.00 0.00 H new ATOM 0 HA SER A 21 101.164 -0.665 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 21 102.365 0.411 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 21 100.656 0.355 12.948 1.00 0.00 H new ATOM 0 HG SER A 21 101.733 -1.632 13.459 1.00 0.00 H new ATOM 149 N LEU A 22 99.401 1.904 11.363 1.00 0.00 N ATOM 150 CA LEU A 22 98.077 2.508 11.322 1.00 0.00 C ATOM 151 C LEU A 22 97.714 2.900 9.895 1.00 0.00 C ATOM 152 O LEU A 22 96.537 2.961 9.537 1.00 0.00 O ATOM 153 CB LEU A 22 98.021 3.735 12.238 1.00 0.00 C ATOM 154 CG LEU A 22 96.917 3.700 13.295 1.00 0.00 C ATOM 155 CD1 LEU A 22 95.551 3.583 12.636 1.00 0.00 C ATOM 156 CD2 LEU A 22 97.144 2.549 14.263 1.00 0.00 C ATOM 0 H LEU A 22 100.087 2.425 11.909 1.00 0.00 H new ATOM 0 HA LEU A 22 97.353 1.774 11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 22 98.982 3.839 12.741 1.00 0.00 H new ATOM 0 HB3 LEU A 22 97.886 4.624 11.622 1.00 0.00 H new ATOM 0 HG LEU A 22 96.948 4.633 13.857 1.00 0.00 H new ATOM 0 HD11 LEU A 22 94.778 3.559 13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 22 95.388 4.440 11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 22 95.508 2.666 12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 22 96.349 2.539 15.009 1.00 0.00 H new ATOM 0 HD22 LEU A 22 97.140 1.607 13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 22 98.106 2.676 14.760 1.00 0.00 H new ATOM 168 N SER A 23 98.733 3.165 9.081 1.00 0.00 N ATOM 169 CA SER A 23 98.518 3.545 7.693 1.00 0.00 C ATOM 170 C SER A 23 97.992 2.365 6.888 1.00 0.00 C ATOM 171 O SER A 23 97.212 2.539 5.951 1.00 0.00 O ATOM 172 CB SER A 23 99.815 4.066 7.072 1.00 0.00 C ATOM 173 OG SER A 23 99.557 4.771 5.870 1.00 0.00 O ATOM 0 H SER A 23 99.713 3.123 9.361 1.00 0.00 H new ATOM 0 HA SER A 23 97.774 4.341 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 23 100.323 4.721 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 23 100.487 3.231 6.871 1.00 0.00 H new ATOM 0 HG SER A 23 100.402 5.095 5.493 1.00 0.00 H new ATOM 178 N SER A 24 98.412 1.165 7.265 1.00 0.00 N ATOM 179 CA SER A 24 97.970 -0.040 6.579 1.00 0.00 C ATOM 180 C SER A 24 96.474 -0.239 6.772 1.00 0.00 C ATOM 181 O SER A 24 95.774 -0.686 5.864 1.00 0.00 O ATOM 182 CB SER A 24 98.720 -1.260 7.096 1.00 0.00 C ATOM 183 OG SER A 24 100.099 -0.980 7.271 1.00 0.00 O ATOM 0 H SER A 24 99.056 1.001 8.039 1.00 0.00 H new ATOM 0 HA SER A 24 98.182 0.078 5.516 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.288 -1.580 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.600 -2.087 6.396 1.00 0.00 H new ATOM 0 HG SER A 24 100.216 -0.375 8.033 1.00 0.00 H new ATOM 189 N TYR A 25 95.988 0.112 7.958 1.00 0.00 N ATOM 190 CA TYR A 25 94.581 -0.010 8.273 1.00 0.00 C ATOM 191 C TYR A 25 93.761 0.812 7.287 1.00 0.00 C ATOM 192 O TYR A 25 92.676 0.410 6.868 1.00 0.00 O ATOM 193 CB TYR A 25 94.356 0.480 9.697 1.00 0.00 C ATOM 194 CG TYR A 25 93.497 -0.440 10.535 1.00 0.00 C ATOM 195 CD1 TYR A 25 92.112 -0.408 10.439 1.00 0.00 C ATOM 196 CD2 TYR A 25 94.073 -1.343 11.420 1.00 0.00 C ATOM 197 CE1 TYR A 25 91.325 -1.249 11.202 1.00 0.00 C ATOM 198 CE2 TYR A 25 93.293 -2.189 12.185 1.00 0.00 C ATOM 199 CZ TYR A 25 91.920 -2.137 12.073 1.00 0.00 C ATOM 200 OH TYR A 25 91.140 -2.977 12.834 1.00 0.00 O ATOM 0 H TYR A 25 96.558 0.485 8.717 1.00 0.00 H new ATOM 0 HA TYR A 25 94.266 -1.051 8.196 1.00 0.00 H new ATOM 0 HB2 TYR A 25 95.323 0.603 10.185 1.00 0.00 H new ATOM 0 HB3 TYR A 25 93.889 1.464 9.662 1.00 0.00 H new ATOM 0 HD1 TYR A 25 91.643 0.285 9.757 1.00 0.00 H new ATOM 0 HD2 TYR A 25 95.148 -1.384 11.512 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.249 -1.211 11.117 1.00 0.00 H new ATOM 0 HE2 TYR A 25 93.756 -2.887 12.867 1.00 0.00 H new ATOM 0 HH TYR A 25 91.715 -3.540 13.394 1.00 0.00 H new ATOM 210 N TRP A 26 94.314 1.960 6.913 1.00 0.00 N ATOM 211 CA TRP A 26 93.670 2.861 5.964 1.00 0.00 C ATOM 212 C TRP A 26 94.150 2.587 4.540 1.00 0.00 C ATOM 213 O TRP A 26 93.524 3.022 3.574 1.00 0.00 O ATOM 214 CB TRP A 26 93.969 4.314 6.342 1.00 0.00 C ATOM 215 CG TRP A 26 93.302 4.747 7.613 1.00 0.00 C ATOM 216 CD1 TRP A 26 92.856 3.941 8.621 1.00 0.00 C ATOM 217 CD2 TRP A 26 93.001 6.089 8.009 1.00 0.00 C ATOM 218 NE1 TRP A 26 92.291 4.700 9.617 1.00 0.00 N ATOM 219 CE2 TRP A 26 92.369 6.022 9.265 1.00 0.00 C ATOM 220 CE3 TRP A 26 93.203 7.342 7.422 1.00 0.00 C ATOM 221 CZ2 TRP A 26 91.940 7.159 9.944 1.00 0.00 C ATOM 222 CZ3 TRP A 26 92.776 8.470 8.099 1.00 0.00 C ATOM 223 CH2 TRP A 26 92.150 8.372 9.348 1.00 0.00 C ATOM 0 H TRP A 26 95.216 2.291 7.256 1.00 0.00 H new ATOM 0 HA TRP A 26 92.594 2.689 6.003 1.00 0.00 H new ATOM 0 HB2 TRP A 26 95.047 4.441 6.444 1.00 0.00 H new ATOM 0 HB3 TRP A 26 93.647 4.967 5.531 1.00 0.00 H new ATOM 0 HD1 TRP A 26 92.936 2.864 8.633 1.00 0.00 H new ATOM 0 HE1 TRP A 26 91.880 4.339 10.478 1.00 0.00 H new ATOM 0 HE3 TRP A 26 93.683 7.427 6.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 91.458 7.086 10.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 92.928 9.443 7.657 1.00 0.00 H new ATOM 0 HH2 TRP A 26 91.827 9.272 9.850 1.00 0.00 H new ATOM 234 N GLU A 27 95.262 1.861 4.413 1.00 0.00 N ATOM 235 CA GLU A 27 95.813 1.542 3.099 1.00 0.00 C ATOM 236 C GLU A 27 94.794 0.802 2.239 1.00 0.00 C ATOM 237 O GLU A 27 94.696 1.044 1.036 1.00 0.00 O ATOM 238 CB GLU A 27 97.084 0.702 3.241 1.00 0.00 C ATOM 239 CG GLU A 27 97.886 0.590 1.954 1.00 0.00 C ATOM 240 CD GLU A 27 98.481 -0.790 1.750 1.00 0.00 C ATOM 241 OE1 GLU A 27 98.359 -1.632 2.665 1.00 0.00 O ATOM 242 OE2 GLU A 27 99.070 -1.029 0.675 1.00 0.00 O ATOM 0 H GLU A 27 95.794 1.486 5.199 1.00 0.00 H new ATOM 0 HA GLU A 27 96.061 2.482 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.714 1.140 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.813 -0.298 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.242 0.832 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.688 1.328 1.966 1.00 0.00 H new ATOM 249 N SER A 28 94.032 -0.093 2.859 1.00 0.00 N ATOM 250 CA SER A 28 93.019 -0.852 2.139 1.00 0.00 C ATOM 251 C SER A 28 91.939 0.079 1.615 1.00 0.00 C ATOM 252 O SER A 28 91.497 -0.045 0.473 1.00 0.00 O ATOM 253 CB SER A 28 92.412 -1.926 3.040 1.00 0.00 C ATOM 254 OG SER A 28 91.052 -2.166 2.717 1.00 0.00 O ATOM 0 H SER A 28 94.097 -0.309 3.854 1.00 0.00 H new ATOM 0 HA SER A 28 93.492 -1.347 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 28 92.980 -2.851 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 28 92.491 -1.616 4.082 1.00 0.00 H new ATOM 0 HG SER A 28 90.692 -2.859 3.309 1.00 0.00 H new ATOM 260 N ALA A 29 91.533 1.030 2.448 1.00 0.00 N ATOM 261 CA ALA A 29 90.525 1.998 2.050 1.00 0.00 C ATOM 262 C ALA A 29 91.045 2.805 0.873 1.00 0.00 C ATOM 263 O ALA A 29 90.291 3.192 -0.021 1.00 0.00 O ATOM 264 CB ALA A 29 90.167 2.910 3.214 1.00 0.00 C ATOM 0 H ALA A 29 91.886 1.149 3.398 1.00 0.00 H new ATOM 0 HA ALA A 29 89.618 1.472 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 29 89.411 3.627 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 29 89.776 2.312 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 29 91.058 3.445 3.545 1.00 0.00 H new ATOM 270 N LYS A 30 92.356 3.028 0.872 1.00 0.00 N ATOM 271 CA LYS A 30 93.012 3.766 -0.198 1.00 0.00 C ATOM 272 C LYS A 30 93.213 2.866 -1.413 1.00 0.00 C ATOM 273 O LYS A 30 93.301 3.343 -2.544 1.00 0.00 O ATOM 274 CB LYS A 30 94.362 4.305 0.279 1.00 0.00 C ATOM 275 CG LYS A 30 94.260 5.630 1.018 1.00 0.00 C ATOM 276 CD LYS A 30 95.621 6.296 1.156 1.00 0.00 C ATOM 277 CE LYS A 30 95.917 7.214 -0.020 1.00 0.00 C ATOM 278 NZ LYS A 30 96.178 8.613 0.420 1.00 0.00 N ATOM 0 H LYS A 30 92.987 2.705 1.606 1.00 0.00 H new ATOM 0 HA LYS A 30 92.377 4.605 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 30 94.828 3.568 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 30 95.020 4.428 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 30 93.581 6.295 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 30 93.832 5.465 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 30 95.654 6.869 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 30 96.395 5.532 1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 30 96.782 6.838 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 30 95.074 7.202 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 96.375 9.207 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 95.343 8.982 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 96.998 8.629 1.060 1.00 0.00 H new ATOM 292 N THR A 31 93.279 1.557 -1.171 1.00 0.00 N ATOM 293 CA THR A 31 93.465 0.591 -2.240 1.00 0.00 C ATOM 294 C THR A 31 92.303 0.642 -3.222 1.00 0.00 C ATOM 295 O THR A 31 92.498 0.558 -4.434 1.00 0.00 O ATOM 296 CB THR A 31 93.584 -0.811 -1.660 1.00 0.00 C ATOM 297 OG1 THR A 31 94.655 -0.886 -0.735 1.00 0.00 O ATOM 298 CG2 THR A 31 93.807 -1.867 -2.712 1.00 0.00 C ATOM 0 H THR A 31 93.206 1.146 -0.240 1.00 0.00 H new ATOM 0 HA THR A 31 94.382 0.842 -2.772 1.00 0.00 H new ATOM 0 HB THR A 31 92.631 -1.005 -1.168 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.737 -0.033 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 31 93.884 -2.844 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 31 92.970 -1.868 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 31 94.729 -1.653 -3.252 1.00 0.00 H new ATOM 306 N ALA A 32 91.092 0.791 -2.692 1.00 0.00 N ATOM 307 CA ALA A 32 89.903 0.868 -3.529 1.00 0.00 C ATOM 308 C ALA A 32 90.052 1.982 -4.555 1.00 0.00 C ATOM 309 O ALA A 32 89.400 1.978 -5.598 1.00 0.00 O ATOM 310 CB ALA A 32 88.664 1.090 -2.673 1.00 0.00 C ATOM 0 H ALA A 32 90.911 0.860 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 32 89.788 -0.077 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 32 87.784 1.145 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 32 88.552 0.262 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 32 88.768 2.022 -2.118 1.00 0.00 H new ATOM 316 N ALA A 33 90.934 2.927 -4.250 1.00 0.00 N ATOM 317 CA ALA A 33 91.198 4.047 -5.143 1.00 0.00 C ATOM 318 C ALA A 33 92.219 3.649 -6.201 1.00 0.00 C ATOM 319 O ALA A 33 92.121 4.053 -7.358 1.00 0.00 O ATOM 320 CB ALA A 33 91.691 5.250 -4.351 1.00 0.00 C ATOM 0 H ALA A 33 91.479 2.939 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 33 90.270 4.321 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 33 91.884 6.079 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 33 90.932 5.544 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 33 92.611 4.989 -3.827 1.00 0.00 H new ATOM 326 N GLN A 34 93.195 2.843 -5.790 1.00 0.00 N ATOM 327 CA GLN A 34 94.238 2.378 -6.698 1.00 0.00 C ATOM 328 C GLN A 34 93.646 1.482 -7.781 1.00 0.00 C ATOM 329 O GLN A 34 94.107 1.480 -8.923 1.00 0.00 O ATOM 330 CB GLN A 34 95.314 1.616 -5.919 1.00 0.00 C ATOM 331 CG GLN A 34 96.722 2.130 -6.167 1.00 0.00 C ATOM 332 CD GLN A 34 97.788 1.174 -5.668 1.00 0.00 C ATOM 333 OE1 GLN A 34 97.925 0.951 -4.465 1.00 0.00 O ATOM 334 NE2 GLN A 34 98.551 0.602 -6.593 1.00 0.00 N ATOM 0 H GLN A 34 93.285 2.499 -4.834 1.00 0.00 H new ATOM 0 HA GLN A 34 94.692 3.247 -7.175 1.00 0.00 H new ATOM 0 HB2 GLN A 34 95.094 1.682 -4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 34 95.268 0.561 -6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 34 96.861 2.298 -7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 34 96.845 3.095 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 34 98.403 0.815 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 34 99.285 -0.051 -6.317 1.00 0.00 H new ATOM 343 N ASN A 35 92.618 0.723 -7.410 1.00 0.00 N ATOM 344 CA ASN A 35 91.946 -0.181 -8.328 1.00 0.00 C ATOM 345 C ASN A 35 91.514 0.545 -9.598 1.00 0.00 C ATOM 346 O ASN A 35 91.945 0.206 -10.698 1.00 0.00 O ATOM 347 CB ASN A 35 90.739 -0.785 -7.622 1.00 0.00 C ATOM 348 CG ASN A 35 90.665 -2.292 -7.774 1.00 0.00 C ATOM 349 OD1 ASN A 35 91.491 -2.901 -8.455 1.00 0.00 O ATOM 350 ND2 ASN A 35 89.673 -2.903 -7.135 1.00 0.00 N ATOM 0 H ASN A 35 92.231 0.720 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 35 92.636 -0.971 -8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 35 90.779 -0.532 -6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 35 89.829 -0.339 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 35 89.574 -3.916 -7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 35 89.011 -2.359 -6.582 1.00 0.00 H new ATOM 357 N LEU A 36 90.662 1.548 -9.431 1.00 0.00 N ATOM 358 CA LEU A 36 90.172 2.330 -10.545 1.00 0.00 C ATOM 359 C LEU A 36 91.287 3.179 -11.151 1.00 0.00 C ATOM 360 O LEU A 36 91.211 3.587 -12.309 1.00 0.00 O ATOM 361 CB LEU A 36 89.044 3.218 -10.040 1.00 0.00 C ATOM 362 CG LEU A 36 87.721 3.093 -10.799 1.00 0.00 C ATOM 363 CD1 LEU A 36 86.599 3.785 -10.039 1.00 0.00 C ATOM 364 CD2 LEU A 36 87.858 3.670 -12.201 1.00 0.00 C ATOM 0 H LEU A 36 90.296 1.837 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 36 89.808 1.665 -11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 36 88.864 2.987 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 36 89.373 4.256 -10.086 1.00 0.00 H new ATOM 0 HG LEU A 36 87.470 2.036 -10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.667 3.685 -10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 36 86.487 3.325 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.838 4.842 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 86.909 3.574 -12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 36 88.132 4.723 -12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 36 88.631 3.127 -12.744 1.00 0.00 H new ATOM 376 N TYR A 37 92.321 3.444 -10.356 1.00 0.00 N ATOM 377 CA TYR A 37 93.449 4.255 -10.805 1.00 0.00 C ATOM 378 C TYR A 37 94.289 3.531 -11.844 1.00 0.00 C ATOM 379 O TYR A 37 94.289 3.892 -13.021 1.00 0.00 O ATOM 380 CB TYR A 37 94.321 4.661 -9.614 1.00 0.00 C ATOM 381 CG TYR A 37 95.063 5.957 -9.839 1.00 0.00 C ATOM 382 CD1 TYR A 37 94.461 7.178 -9.569 1.00 0.00 C ATOM 383 CD2 TYR A 37 96.359 5.960 -10.339 1.00 0.00 C ATOM 384 CE1 TYR A 37 95.130 8.367 -9.787 1.00 0.00 C ATOM 385 CE2 TYR A 37 97.035 7.145 -10.561 1.00 0.00 C ATOM 386 CZ TYR A 37 96.417 8.345 -10.283 1.00 0.00 C ATOM 387 OH TYR A 37 97.086 9.527 -10.504 1.00 0.00 O ATOM 0 H TYR A 37 92.401 3.108 -9.396 1.00 0.00 H new ATOM 0 HA TYR A 37 93.041 5.150 -11.274 1.00 0.00 H new ATOM 0 HB2 TYR A 37 93.694 4.757 -8.728 1.00 0.00 H new ATOM 0 HB3 TYR A 37 95.040 3.868 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 37 93.453 7.199 -9.182 1.00 0.00 H new ATOM 0 HD2 TYR A 37 96.846 5.021 -10.558 1.00 0.00 H new ATOM 0 HE1 TYR A 37 94.648 9.309 -9.570 1.00 0.00 H new ATOM 0 HE2 TYR A 37 98.042 7.131 -10.950 1.00 0.00 H new ATOM 0 HH TYR A 37 97.981 9.336 -10.853 1.00 0.00 H new ATOM 397 N GLU A 38 95.019 2.527 -11.398 1.00 0.00 N ATOM 398 CA GLU A 38 95.887 1.760 -12.291 1.00 0.00 C ATOM 399 C GLU A 38 96.026 0.297 -11.860 1.00 0.00 C ATOM 400 O GLU A 38 96.702 -0.483 -12.530 1.00 0.00 O ATOM 401 CB GLU A 38 97.269 2.414 -12.360 1.00 0.00 C ATOM 402 CG GLU A 38 97.701 2.765 -13.774 1.00 0.00 C ATOM 403 CD GLU A 38 99.207 2.847 -13.920 1.00 0.00 C ATOM 404 OE1 GLU A 38 99.849 3.519 -13.085 1.00 0.00 O ATOM 405 OE2 GLU A 38 99.747 2.238 -14.868 1.00 0.00 O ATOM 0 H GLU A 38 95.033 2.219 -10.426 1.00 0.00 H new ATOM 0 HA GLU A 38 95.421 1.764 -13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 38 97.265 3.320 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 38 98.004 1.740 -11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 38 97.313 2.016 -14.465 1.00 0.00 H new ATOM 0 HG3 GLU A 38 97.260 3.720 -14.058 1.00 0.00 H new ATOM 412 N LYS A 39 95.390 -0.083 -10.753 1.00 0.00 N ATOM 413 CA LYS A 39 95.467 -1.459 -10.281 1.00 0.00 C ATOM 414 C LYS A 39 94.626 -2.372 -11.169 1.00 0.00 C ATOM 415 O LYS A 39 95.040 -3.481 -11.506 1.00 0.00 O ATOM 416 CB LYS A 39 95.001 -1.553 -8.828 1.00 0.00 C ATOM 417 CG LYS A 39 96.140 -1.590 -7.823 1.00 0.00 C ATOM 418 CD LYS A 39 95.772 -2.406 -6.593 1.00 0.00 C ATOM 419 CE LYS A 39 95.604 -3.879 -6.931 1.00 0.00 C ATOM 420 NZ LYS A 39 95.518 -4.725 -5.707 1.00 0.00 N ATOM 0 H LYS A 39 94.823 0.536 -10.174 1.00 0.00 H new ATOM 0 HA LYS A 39 96.506 -1.785 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 39 94.359 -0.700 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 39 94.393 -2.450 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 39 97.027 -2.017 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 39 96.396 -0.574 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 39 96.546 -2.292 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 39 94.846 -2.022 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 39 94.703 -4.013 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 39 96.444 -4.209 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 95.404 -5.722 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 96.389 -4.617 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 94.701 -4.427 -5.136 1.00 0.00 H new ATOM 434 N THR A 40 93.448 -1.890 -11.553 1.00 0.00 N ATOM 435 CA THR A 40 92.550 -2.649 -12.410 1.00 0.00 C ATOM 436 C THR A 40 92.844 -2.370 -13.880 1.00 0.00 C ATOM 437 O THR A 40 92.704 -3.246 -14.732 1.00 0.00 O ATOM 438 CB THR A 40 91.100 -2.292 -12.093 1.00 0.00 C ATOM 439 OG1 THR A 40 90.933 -2.046 -10.709 1.00 0.00 O ATOM 440 CG2 THR A 40 90.123 -3.371 -12.488 1.00 0.00 C ATOM 0 H THR A 40 93.094 -0.973 -11.282 1.00 0.00 H new ATOM 0 HA THR A 40 92.708 -3.711 -12.221 1.00 0.00 H new ATOM 0 HB THR A 40 90.888 -1.398 -12.679 1.00 0.00 H new ATOM 0 HG1 THR A 40 91.190 -2.844 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 40 89.111 -3.055 -12.236 1.00 0.00 H new ATOM 0 HG22 THR A 40 90.191 -3.548 -13.561 1.00 0.00 H new ATOM 0 HG23 THR A 40 90.360 -4.290 -11.953 1.00 0.00 H new ATOM 448 N TYR A 41 93.251 -1.136 -14.167 1.00 0.00 N ATOM 449 CA TYR A 41 93.569 -0.723 -15.529 1.00 0.00 C ATOM 450 C TYR A 41 94.583 -1.668 -16.171 1.00 0.00 C ATOM 451 O TYR A 41 94.593 -1.848 -17.388 1.00 0.00 O ATOM 452 CB TYR A 41 94.117 0.704 -15.521 1.00 0.00 C ATOM 453 CG TYR A 41 93.597 1.569 -16.649 1.00 0.00 C ATOM 454 CD1 TYR A 41 93.692 1.152 -17.971 1.00 0.00 C ATOM 455 CD2 TYR A 41 93.018 2.805 -16.392 1.00 0.00 C ATOM 456 CE1 TYR A 41 93.223 1.942 -19.004 1.00 0.00 C ATOM 457 CE2 TYR A 41 92.548 3.601 -17.419 1.00 0.00 C ATOM 458 CZ TYR A 41 92.654 3.165 -18.723 1.00 0.00 C ATOM 459 OH TYR A 41 92.186 3.954 -19.748 1.00 0.00 O ATOM 0 H TYR A 41 93.368 -0.402 -13.469 1.00 0.00 H new ATOM 0 HA TYR A 41 92.654 -0.759 -16.120 1.00 0.00 H new ATOM 0 HB2 TYR A 41 93.865 1.174 -14.570 1.00 0.00 H new ATOM 0 HB3 TYR A 41 95.205 0.665 -15.578 1.00 0.00 H new ATOM 0 HD1 TYR A 41 94.140 0.195 -18.195 1.00 0.00 H new ATOM 0 HD2 TYR A 41 92.934 3.150 -15.372 1.00 0.00 H new ATOM 0 HE1 TYR A 41 93.302 1.602 -20.026 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.100 4.559 -17.202 1.00 0.00 H new ATOM 0 HH TYR A 41 91.814 4.782 -19.380 1.00 0.00 H new ATOM 469 N LEU A 42 95.433 -2.268 -15.344 1.00 0.00 N ATOM 470 CA LEU A 42 96.448 -3.194 -15.833 1.00 0.00 C ATOM 471 C LEU A 42 95.846 -4.578 -16.070 1.00 0.00 C ATOM 472 O LEU A 42 94.726 -4.855 -15.641 1.00 0.00 O ATOM 473 CB LEU A 42 97.607 -3.279 -14.837 1.00 0.00 C ATOM 474 CG LEU A 42 98.771 -2.324 -15.123 1.00 0.00 C ATOM 475 CD1 LEU A 42 98.997 -1.382 -13.949 1.00 0.00 C ATOM 476 CD2 LEU A 42 100.041 -3.105 -15.437 1.00 0.00 C ATOM 0 H LEU A 42 95.439 -2.130 -14.333 1.00 0.00 H new ATOM 0 HA LEU A 42 96.829 -2.820 -16.784 1.00 0.00 H new ATOM 0 HB2 LEU A 42 97.224 -3.074 -13.837 1.00 0.00 H new ATOM 0 HB3 LEU A 42 97.987 -4.301 -14.829 1.00 0.00 H new ATOM 0 HG LEU A 42 98.513 -1.724 -15.996 1.00 0.00 H new ATOM 0 HD11 LEU A 42 99.828 -0.713 -14.174 1.00 0.00 H new ATOM 0 HD12 LEU A 42 98.095 -0.795 -13.775 1.00 0.00 H new ATOM 0 HD13 LEU A 42 99.230 -1.963 -13.056 1.00 0.00 H new ATOM 0 HD21 LEU A 42 100.856 -2.409 -15.637 1.00 0.00 H new ATOM 0 HD22 LEU A 42 100.301 -3.734 -14.585 1.00 0.00 H new ATOM 0 HD23 LEU A 42 99.875 -3.732 -16.313 1.00 0.00 H new ATOM 488 N PRO A 43 96.575 -5.464 -16.772 1.00 0.00 N ATOM 489 CA PRO A 43 96.093 -6.817 -17.078 1.00 0.00 C ATOM 490 C PRO A 43 96.121 -7.764 -15.875 1.00 0.00 C ATOM 491 O PRO A 43 96.626 -8.883 -15.971 1.00 0.00 O ATOM 492 CB PRO A 43 97.063 -7.296 -18.158 1.00 0.00 C ATOM 493 CG PRO A 43 98.325 -6.551 -17.893 1.00 0.00 C ATOM 494 CD PRO A 43 97.914 -5.212 -17.340 1.00 0.00 C ATOM 0 HA PRO A 43 95.047 -6.806 -17.385 1.00 0.00 H new ATOM 0 HB2 PRO A 43 97.220 -8.373 -18.099 1.00 0.00 H new ATOM 0 HB3 PRO A 43 96.680 -7.083 -19.156 1.00 0.00 H new ATOM 0 HG2 PRO A 43 98.953 -7.089 -17.183 1.00 0.00 H new ATOM 0 HG3 PRO A 43 98.907 -6.433 -18.807 1.00 0.00 H new ATOM 0 HD2 PRO A 43 98.612 -4.861 -16.580 1.00 0.00 H new ATOM 0 HD3 PRO A 43 97.882 -4.450 -18.119 1.00 0.00 H new ATOM 502 N ALA A 44 95.561 -7.318 -14.752 1.00 0.00 N ATOM 503 CA ALA A 44 95.503 -8.129 -13.537 1.00 0.00 C ATOM 504 C ALA A 44 96.825 -8.839 -13.260 1.00 0.00 C ATOM 505 O ALA A 44 96.853 -10.041 -12.994 1.00 0.00 O ATOM 506 CB ALA A 44 94.371 -9.141 -13.641 1.00 0.00 C ATOM 0 H ALA A 44 95.139 -6.394 -14.658 1.00 0.00 H new ATOM 0 HA ALA A 44 95.314 -7.458 -12.699 1.00 0.00 H new ATOM 0 HB1 ALA A 44 94.335 -9.741 -12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 44 93.424 -8.616 -13.767 1.00 0.00 H new ATOM 0 HB3 ALA A 44 94.542 -9.792 -14.499 1.00 0.00 H new ATOM 512 N VAL A 45 97.918 -8.089 -13.320 1.00 0.00 N ATOM 513 CA VAL A 45 99.242 -8.652 -13.072 1.00 0.00 C ATOM 514 C VAL A 45 99.466 -8.899 -11.584 1.00 0.00 C ATOM 515 O VAL A 45 99.572 -10.044 -11.147 1.00 0.00 O ATOM 516 CB VAL A 45 100.357 -7.735 -13.593 1.00 0.00 C ATOM 517 CG1 VAL A 45 101.681 -8.476 -13.615 1.00 0.00 C ATOM 518 CG2 VAL A 45 100.017 -7.199 -14.976 1.00 0.00 C ATOM 0 H VAL A 45 97.916 -7.092 -13.537 1.00 0.00 H new ATOM 0 HA VAL A 45 99.281 -9.599 -13.610 1.00 0.00 H new ATOM 0 HB VAL A 45 100.447 -6.885 -12.916 1.00 0.00 H new ATOM 0 HG11 VAL A 45 102.463 -7.813 -13.987 1.00 0.00 H new ATOM 0 HG12 VAL A 45 101.932 -8.803 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 45 101.601 -9.345 -14.268 1.00 0.00 H new ATOM 0 HG21 VAL A 45 100.822 -6.552 -15.324 1.00 0.00 H new ATOM 0 HG22 VAL A 45 99.896 -8.031 -15.669 1.00 0.00 H new ATOM 0 HG23 VAL A 45 99.089 -6.629 -14.927 1.00 0.00 H new ATOM 528 N ASP A 46 99.546 -7.815 -10.813 1.00 0.00 N ATOM 529 CA ASP A 46 99.763 -7.896 -9.374 1.00 0.00 C ATOM 530 C ASP A 46 101.200 -8.283 -9.061 1.00 0.00 C ATOM 531 O ASP A 46 101.591 -9.441 -9.201 1.00 0.00 O ATOM 532 CB ASP A 46 98.794 -8.891 -8.723 1.00 0.00 C ATOM 533 CG ASP A 46 97.346 -8.473 -8.881 1.00 0.00 C ATOM 534 OD1 ASP A 46 96.767 -8.731 -9.957 1.00 0.00 O ATOM 535 OD2 ASP A 46 96.791 -7.887 -7.928 1.00 0.00 O ATOM 0 H ASP A 46 99.462 -6.863 -11.168 1.00 0.00 H new ATOM 0 HA ASP A 46 99.571 -6.907 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 46 98.936 -9.876 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 46 99.029 -8.983 -7.663 1.00 0.00 H new ATOM 540 N GLU A 47 101.972 -7.289 -8.634 1.00 0.00 N ATOM 541 CA GLU A 47 103.380 -7.474 -8.281 1.00 0.00 C ATOM 542 C GLU A 47 104.272 -7.386 -9.511 1.00 0.00 C ATOM 543 O GLU A 47 105.122 -6.499 -9.603 1.00 0.00 O ATOM 544 CB GLU A 47 103.611 -8.809 -7.574 1.00 0.00 C ATOM 545 CG GLU A 47 102.601 -9.108 -6.476 1.00 0.00 C ATOM 546 CD GLU A 47 103.043 -10.242 -5.573 1.00 0.00 C ATOM 547 OE1 GLU A 47 102.887 -11.415 -5.973 1.00 0.00 O ATOM 548 OE2 GLU A 47 103.545 -9.958 -4.465 1.00 0.00 O ATOM 0 H GLU A 47 101.641 -6.331 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 47 103.643 -6.668 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 47 103.578 -9.610 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 47 104.612 -8.813 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 47 102.444 -8.211 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 47 101.642 -9.361 -6.928 1.00 0.00 H new ATOM 555 N LYS A 48 104.077 -8.298 -10.463 1.00 0.00 N ATOM 556 CA LYS A 48 104.875 -8.287 -11.682 1.00 0.00 C ATOM 557 C LYS A 48 104.830 -6.897 -12.300 1.00 0.00 C ATOM 558 O LYS A 48 105.860 -6.338 -12.677 1.00 0.00 O ATOM 559 CB LYS A 48 104.374 -9.339 -12.675 1.00 0.00 C ATOM 560 CG LYS A 48 105.408 -10.405 -13.001 1.00 0.00 C ATOM 561 CD LYS A 48 104.751 -11.690 -13.480 1.00 0.00 C ATOM 562 CE LYS A 48 104.744 -11.780 -14.997 1.00 0.00 C ATOM 563 NZ LYS A 48 106.083 -12.145 -15.537 1.00 0.00 N ATOM 0 H LYS A 48 103.382 -9.043 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 48 105.907 -8.536 -11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 48 103.485 -9.819 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 48 104.072 -8.842 -13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 48 106.086 -10.033 -13.769 1.00 0.00 H new ATOM 0 HG3 LYS A 48 106.011 -10.611 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 48 105.282 -12.547 -13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 48 103.728 -11.738 -13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 48 104.010 -12.521 -15.313 1.00 0.00 H new ATOM 0 HE3 LYS A 48 104.432 -10.823 -15.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 106.145 -11.858 -16.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 106.822 -11.659 -14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 106.218 -13.174 -15.464 1.00 0.00 H new ATOM 577 N LEU A 49 103.629 -6.330 -12.366 1.00 0.00 N ATOM 578 CA LEU A 49 103.457 -4.988 -12.898 1.00 0.00 C ATOM 579 C LEU A 49 103.851 -3.960 -11.841 1.00 0.00 C ATOM 580 O LEU A 49 104.275 -2.852 -12.168 1.00 0.00 O ATOM 581 CB LEU A 49 102.010 -4.762 -13.353 1.00 0.00 C ATOM 582 CG LEU A 49 101.043 -4.243 -12.279 1.00 0.00 C ATOM 583 CD1 LEU A 49 101.196 -2.739 -12.104 1.00 0.00 C ATOM 584 CD2 LEU A 49 99.604 -4.590 -12.637 1.00 0.00 C ATOM 0 H LEU A 49 102.766 -6.779 -12.059 1.00 0.00 H new ATOM 0 HA LEU A 49 104.104 -4.871 -13.767 1.00 0.00 H new ATOM 0 HB2 LEU A 49 102.016 -4.054 -14.181 1.00 0.00 H new ATOM 0 HB3 LEU A 49 101.620 -5.703 -13.741 1.00 0.00 H new ATOM 0 HG LEU A 49 101.290 -4.729 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 49 100.503 -2.389 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 49 102.217 -2.510 -11.800 1.00 0.00 H new ATOM 0 HD13 LEU A 49 100.978 -2.239 -13.047 1.00 0.00 H new ATOM 0 HD21 LEU A 49 98.935 -4.213 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 49 99.347 -4.133 -13.593 1.00 0.00 H new ATOM 0 HD23 LEU A 49 99.499 -5.672 -12.712 1.00 0.00 H new ATOM 596 N ARG A 50 103.709 -4.338 -10.568 1.00 0.00 N ATOM 597 CA ARG A 50 104.055 -3.444 -9.470 1.00 0.00 C ATOM 598 C ARG A 50 105.480 -3.693 -8.987 1.00 0.00 C ATOM 599 O ARG A 50 105.808 -3.437 -7.829 1.00 0.00 O ATOM 600 CB ARG A 50 103.068 -3.615 -8.312 1.00 0.00 C ATOM 601 CG ARG A 50 102.525 -2.300 -7.780 1.00 0.00 C ATOM 602 CD ARG A 50 101.691 -1.579 -8.827 1.00 0.00 C ATOM 603 NE ARG A 50 101.203 -0.288 -8.347 1.00 0.00 N ATOM 604 CZ ARG A 50 101.965 0.798 -8.238 1.00 0.00 C ATOM 605 NH1 ARG A 50 103.253 0.749 -8.561 1.00 0.00 N ATOM 606 NH2 ARG A 50 101.440 1.936 -7.806 1.00 0.00 N ATOM 0 H ARG A 50 103.359 -5.251 -10.278 1.00 0.00 H new ATOM 0 HA ARG A 50 103.995 -2.420 -9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 50 102.235 -4.235 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 50 103.561 -4.150 -7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 50 101.917 -2.487 -6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 50 103.353 -1.662 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 50 102.289 -1.429 -9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 50 100.844 -2.204 -9.109 1.00 0.00 H new ATOM 0 HE ARG A 50 100.221 -0.215 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 50 103.662 -0.124 -8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 50 103.832 1.584 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 50 100.452 1.980 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 50 102.024 2.768 -7.723 1.00 0.00 H new ATOM 620 N ASP A 51 106.325 -4.191 -9.884 1.00 0.00 N ATOM 621 CA ASP A 51 107.717 -4.469 -9.553 1.00 0.00 C ATOM 622 C ASP A 51 108.629 -3.404 -10.150 1.00 0.00 C ATOM 623 O ASP A 51 109.510 -2.876 -9.476 1.00 0.00 O ATOM 624 CB ASP A 51 108.119 -5.855 -10.064 1.00 0.00 C ATOM 625 CG ASP A 51 108.348 -6.843 -8.937 1.00 0.00 C ATOM 626 OD1 ASP A 51 107.435 -7.011 -8.101 1.00 0.00 O ATOM 627 OD2 ASP A 51 109.439 -7.448 -8.889 1.00 0.00 O ATOM 0 H ASP A 51 106.069 -4.410 -10.847 1.00 0.00 H new ATOM 0 HA ASP A 51 107.824 -4.451 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 51 107.340 -6.236 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 51 109.028 -5.770 -10.659 1.00 0.00 H new ATOM 632 N LEU A 52 108.407 -3.085 -11.421 1.00 0.00 N ATOM 633 CA LEU A 52 109.210 -2.075 -12.106 1.00 0.00 C ATOM 634 C LEU A 52 109.267 -0.785 -11.293 1.00 0.00 C ATOM 635 O LEU A 52 110.273 -0.078 -11.295 1.00 0.00 O ATOM 636 CB LEU A 52 108.633 -1.790 -13.495 1.00 0.00 C ATOM 637 CG LEU A 52 107.103 -1.781 -13.574 1.00 0.00 C ATOM 638 CD1 LEU A 52 106.604 -0.491 -14.209 1.00 0.00 C ATOM 639 CD2 LEU A 52 106.600 -2.988 -14.354 1.00 0.00 C ATOM 0 H LEU A 52 107.680 -3.509 -11.997 1.00 0.00 H new ATOM 0 HA LEU A 52 110.223 -2.463 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 52 109.005 -0.823 -13.834 1.00 0.00 H new ATOM 0 HB3 LEU A 52 109.013 -2.539 -14.190 1.00 0.00 H new ATOM 0 HG LEU A 52 106.709 -1.838 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 52 105.515 -0.506 -14.255 1.00 0.00 H new ATOM 0 HD12 LEU A 52 106.930 0.359 -13.610 1.00 0.00 H new ATOM 0 HD13 LEU A 52 107.009 -0.401 -15.217 1.00 0.00 H new ATOM 0 HD21 LEU A 52 105.511 -2.964 -14.399 1.00 0.00 H new ATOM 0 HD22 LEU A 52 107.006 -2.963 -15.365 1.00 0.00 H new ATOM 0 HD23 LEU A 52 106.922 -3.903 -13.857 1.00 0.00 H new ATOM 651 N TYR A 53 108.173 -0.493 -10.598 1.00 0.00 N ATOM 652 CA TYR A 53 108.073 0.711 -9.775 1.00 0.00 C ATOM 653 C TYR A 53 108.496 0.436 -8.335 1.00 0.00 C ATOM 654 O TYR A 53 109.340 1.136 -7.776 1.00 0.00 O ATOM 655 CB TYR A 53 106.633 1.218 -9.783 1.00 0.00 C ATOM 656 CG TYR A 53 106.532 2.725 -9.768 1.00 0.00 C ATOM 657 CD1 TYR A 53 106.561 3.429 -8.570 1.00 0.00 C ATOM 658 CD2 TYR A 53 106.427 3.446 -10.950 1.00 0.00 C ATOM 659 CE1 TYR A 53 106.489 4.808 -8.552 1.00 0.00 C ATOM 660 CE2 TYR A 53 106.351 4.826 -10.941 1.00 0.00 C ATOM 661 CZ TYR A 53 106.383 5.503 -9.740 1.00 0.00 C ATOM 662 OH TYR A 53 106.311 6.876 -9.726 1.00 0.00 O ATOM 0 H TYR A 53 107.337 -1.077 -10.587 1.00 0.00 H new ATOM 0 HA TYR A 53 108.742 1.462 -10.195 1.00 0.00 H new ATOM 0 HB2 TYR A 53 106.125 0.835 -10.668 1.00 0.00 H new ATOM 0 HB3 TYR A 53 106.109 0.817 -8.916 1.00 0.00 H new ATOM 0 HD1 TYR A 53 106.641 2.889 -7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 53 106.404 2.919 -11.893 1.00 0.00 H new ATOM 0 HE1 TYR A 53 106.516 5.340 -7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 53 106.267 5.371 -11.869 1.00 0.00 H new ATOM 0 HH TYR A 53 106.241 7.209 -10.645 1.00 0.00 H new ATOM 672 N SER A 54 107.883 -0.579 -7.738 1.00 0.00 N ATOM 673 CA SER A 54 108.161 -0.951 -6.349 1.00 0.00 C ATOM 674 C SER A 54 109.415 -1.819 -6.219 1.00 0.00 C ATOM 675 O SER A 54 109.552 -2.577 -5.259 1.00 0.00 O ATOM 676 CB SER A 54 106.961 -1.693 -5.757 1.00 0.00 C ATOM 677 OG SER A 54 105.769 -1.372 -6.452 1.00 0.00 O ATOM 0 H SER A 54 107.185 -1.165 -8.195 1.00 0.00 H new ATOM 0 HA SER A 54 108.340 -0.028 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 54 107.135 -2.768 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.853 -1.434 -4.704 1.00 0.00 H new ATOM 0 HG SER A 54 105.399 -2.183 -6.859 1.00 0.00 H new ATOM 683 N LYS A 55 110.330 -1.698 -7.173 1.00 0.00 N ATOM 684 CA LYS A 55 111.572 -2.468 -7.141 1.00 0.00 C ATOM 685 C LYS A 55 112.729 -1.647 -7.697 1.00 0.00 C ATOM 686 O LYS A 55 113.837 -1.677 -7.164 1.00 0.00 O ATOM 687 CB LYS A 55 111.425 -3.766 -7.936 1.00 0.00 C ATOM 688 CG LYS A 55 112.387 -4.859 -7.503 1.00 0.00 C ATOM 689 CD LYS A 55 113.469 -5.098 -8.545 1.00 0.00 C ATOM 690 CE LYS A 55 114.727 -5.677 -7.919 1.00 0.00 C ATOM 691 NZ LYS A 55 114.481 -7.015 -7.314 1.00 0.00 N ATOM 0 H LYS A 55 110.238 -1.077 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 55 111.786 -2.717 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 55 110.403 -4.131 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 55 111.582 -3.554 -8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 55 112.849 -4.583 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 55 111.835 -5.783 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 55 113.095 -5.779 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 113.709 -4.159 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 55 115.505 -5.759 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 55 115.099 -4.995 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 115.377 -7.405 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 113.807 -6.922 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 114.087 -7.654 -8.034 1.00 0.00 H new ATOM 705 N SER A 56 112.464 -0.910 -8.770 1.00 0.00 N ATOM 706 CA SER A 56 113.490 -0.080 -9.393 1.00 0.00 C ATOM 707 C SER A 56 113.469 1.338 -8.832 1.00 0.00 C ATOM 708 O SER A 56 114.445 2.078 -8.958 1.00 0.00 O ATOM 709 CB SER A 56 113.292 -0.038 -10.905 1.00 0.00 C ATOM 710 OG SER A 56 112.872 -1.295 -11.404 1.00 0.00 O ATOM 0 H SER A 56 111.552 -0.870 -9.225 1.00 0.00 H new ATOM 0 HA SER A 56 114.459 -0.525 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 56 112.551 0.721 -11.156 1.00 0.00 H new ATOM 0 HB3 SER A 56 114.224 0.254 -11.388 1.00 0.00 H new ATOM 0 HG SER A 56 111.899 -1.292 -11.522 1.00 0.00 H new ATOM 716 N THR A 57 112.350 1.719 -8.222 1.00 0.00 N ATOM 717 CA THR A 57 112.212 3.055 -7.654 1.00 0.00 C ATOM 718 C THR A 57 112.098 3.001 -6.133 1.00 0.00 C ATOM 719 O THR A 57 112.471 3.948 -5.443 1.00 0.00 O ATOM 720 CB THR A 57 110.987 3.757 -8.242 1.00 0.00 C ATOM 721 OG1 THR A 57 111.061 3.793 -9.656 1.00 0.00 O ATOM 722 CG2 THR A 57 110.824 5.178 -7.753 1.00 0.00 C ATOM 0 H THR A 57 111.529 1.124 -8.109 1.00 0.00 H new ATOM 0 HA THR A 57 113.108 3.620 -7.909 1.00 0.00 H new ATOM 0 HB THR A 57 110.129 3.174 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 57 110.268 4.244 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 57 109.937 5.620 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 57 110.715 5.179 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 57 111.702 5.761 -8.030 1.00 0.00 H new ATOM 730 N ALA A 58 111.574 1.893 -5.616 1.00 0.00 N ATOM 731 CA ALA A 58 111.409 1.733 -4.175 1.00 0.00 C ATOM 732 C ALA A 58 112.527 0.893 -3.577 1.00 0.00 C ATOM 733 O ALA A 58 113.105 1.252 -2.553 1.00 0.00 O ATOM 734 CB ALA A 58 110.054 1.115 -3.864 1.00 0.00 C ATOM 0 H ALA A 58 111.258 1.097 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 58 111.458 2.722 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 58 109.945 1.002 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 58 109.263 1.763 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 58 109.982 0.137 -4.341 1.00 0.00 H new ATOM 740 N ALA A 59 112.832 -0.225 -4.220 1.00 0.00 N ATOM 741 CA ALA A 59 113.888 -1.105 -3.741 1.00 0.00 C ATOM 742 C ALA A 59 115.265 -0.602 -4.171 1.00 0.00 C ATOM 743 O ALA A 59 116.279 -1.242 -3.895 1.00 0.00 O ATOM 744 CB ALA A 59 113.663 -2.526 -4.238 1.00 0.00 C ATOM 0 H ALA A 59 112.366 -0.543 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 59 113.855 -1.105 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 59 114.462 -3.171 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 59 112.704 -2.892 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 59 113.662 -2.534 -5.328 1.00 0.00 H new ATOM 750 N MET A 60 115.299 0.545 -4.851 1.00 0.00 N ATOM 751 CA MET A 60 116.563 1.117 -5.312 1.00 0.00 C ATOM 752 C MET A 60 116.734 2.557 -4.832 1.00 0.00 C ATOM 753 O MET A 60 117.851 3.000 -4.566 1.00 0.00 O ATOM 754 CB MET A 60 116.637 1.067 -6.839 1.00 0.00 C ATOM 755 CG MET A 60 116.747 -0.343 -7.396 1.00 0.00 C ATOM 756 SD MET A 60 118.456 -0.861 -7.647 1.00 0.00 S ATOM 757 CE MET A 60 118.262 -2.639 -7.748 1.00 0.00 C ATOM 0 H MET A 60 114.473 1.092 -5.093 1.00 0.00 H new ATOM 0 HA MET A 60 117.372 0.521 -4.889 1.00 0.00 H new ATOM 0 HB2 MET A 60 115.749 1.544 -7.253 1.00 0.00 H new ATOM 0 HB3 MET A 60 117.497 1.649 -7.172 1.00 0.00 H new ATOM 0 HG2 MET A 60 116.258 -1.038 -6.714 1.00 0.00 H new ATOM 0 HG3 MET A 60 116.212 -0.397 -8.344 1.00 0.00 H new ATOM 0 HE1 MET A 60 119.236 -3.103 -7.903 1.00 0.00 H new ATOM 0 HE2 MET A 60 117.826 -3.011 -6.821 1.00 0.00 H new ATOM 0 HE3 MET A 60 117.605 -2.887 -8.582 1.00 0.00 H new ATOM 767 N SER A 61 115.627 3.288 -4.731 1.00 0.00 N ATOM 768 CA SER A 61 115.670 4.681 -4.294 1.00 0.00 C ATOM 769 C SER A 61 115.300 4.825 -2.818 1.00 0.00 C ATOM 770 O SER A 61 115.474 5.896 -2.234 1.00 0.00 O ATOM 771 CB SER A 61 114.726 5.528 -5.151 1.00 0.00 C ATOM 772 OG SER A 61 115.368 6.707 -5.606 1.00 0.00 O ATOM 0 H SER A 61 114.692 2.941 -4.945 1.00 0.00 H new ATOM 0 HA SER A 61 116.694 5.034 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 61 114.383 4.944 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 61 113.842 5.793 -4.571 1.00 0.00 H new ATOM 0 HG SER A 61 114.744 7.229 -6.152 1.00 0.00 H new ATOM 778 N THR A 62 114.784 3.756 -2.216 1.00 0.00 N ATOM 779 CA THR A 62 114.390 3.791 -0.810 1.00 0.00 C ATOM 780 C THR A 62 115.365 3.014 0.073 1.00 0.00 C ATOM 781 O THR A 62 115.317 3.117 1.298 1.00 0.00 O ATOM 782 CB THR A 62 112.981 3.224 -0.644 1.00 0.00 C ATOM 783 OG1 THR A 62 112.182 3.525 -1.774 1.00 0.00 O ATOM 784 CG2 THR A 62 112.264 3.754 0.579 1.00 0.00 C ATOM 0 H THR A 62 114.630 2.859 -2.677 1.00 0.00 H new ATOM 0 HA THR A 62 114.406 4.833 -0.492 1.00 0.00 H new ATOM 0 HB THR A 62 113.114 2.148 -0.531 1.00 0.00 H new ATOM 0 HG1 THR A 62 111.248 3.295 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 62 111.269 3.312 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 62 112.830 3.494 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 62 112.175 4.838 0.508 1.00 0.00 H new ATOM 792 N TYR A 63 116.250 2.238 -0.548 1.00 0.00 N ATOM 793 CA TYR A 63 117.225 1.453 0.188 1.00 0.00 C ATOM 794 C TYR A 63 118.293 2.348 0.795 1.00 0.00 C ATOM 795 O TYR A 63 118.859 2.036 1.841 1.00 0.00 O ATOM 796 CB TYR A 63 117.872 0.455 -0.750 1.00 0.00 C ATOM 797 CG TYR A 63 117.822 -0.973 -0.255 1.00 0.00 C ATOM 798 CD1 TYR A 63 118.606 -1.385 0.815 1.00 0.00 C ATOM 799 CD2 TYR A 63 116.987 -1.908 -0.855 1.00 0.00 C ATOM 800 CE1 TYR A 63 118.561 -2.688 1.273 1.00 0.00 C ATOM 801 CE2 TYR A 63 116.938 -3.213 -0.403 1.00 0.00 C ATOM 802 CZ TYR A 63 117.725 -3.598 0.660 1.00 0.00 C ATOM 803 OH TYR A 63 117.677 -4.896 1.113 1.00 0.00 O ATOM 0 H TYR A 63 116.308 2.139 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 63 116.715 0.929 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 63 117.378 0.510 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 63 118.913 0.739 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 63 119.262 -0.675 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 63 116.367 -1.610 -1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 63 119.177 -2.992 2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 63 116.285 -3.928 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 63 117.038 -5.407 0.574 1.00 0.00 H new ATOM 813 N THR A 64 118.560 3.468 0.130 1.00 0.00 N ATOM 814 CA THR A 64 119.560 4.419 0.606 1.00 0.00 C ATOM 815 C THR A 64 119.289 4.783 2.058 1.00 0.00 C ATOM 816 O THR A 64 120.192 5.172 2.798 1.00 0.00 O ATOM 817 CB THR A 64 119.558 5.679 -0.261 1.00 0.00 C ATOM 818 OG1 THR A 64 118.280 5.892 -0.832 1.00 0.00 O ATOM 819 CG2 THR A 64 120.564 5.630 -1.391 1.00 0.00 C ATOM 0 H THR A 64 118.099 3.739 -0.738 1.00 0.00 H new ATOM 0 HA THR A 64 120.542 3.951 0.536 1.00 0.00 H new ATOM 0 HB THR A 64 119.831 6.493 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 64 118.298 6.703 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 64 120.510 6.554 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 64 121.567 5.516 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 64 120.340 4.784 -2.041 1.00 0.00 H new ATOM 827 N GLY A 65 118.034 4.637 2.452 1.00 0.00 N ATOM 828 CA GLY A 65 117.643 4.934 3.814 1.00 0.00 C ATOM 829 C GLY A 65 117.937 3.781 4.753 1.00 0.00 C ATOM 830 O GLY A 65 118.098 3.980 5.956 1.00 0.00 O ATOM 0 H GLY A 65 117.276 4.317 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 65 118.170 5.824 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 65 116.578 5.163 3.844 1.00 0.00 H new ATOM 834 N ILE A 66 118.017 2.570 4.200 1.00 0.00 N ATOM 835 CA ILE A 66 118.304 1.388 5.002 1.00 0.00 C ATOM 836 C ILE A 66 119.750 0.943 4.820 1.00 0.00 C ATOM 837 O ILE A 66 120.275 0.158 5.608 1.00 0.00 O ATOM 838 CB ILE A 66 117.361 0.222 4.646 1.00 0.00 C ATOM 839 CG1 ILE A 66 115.902 0.660 4.783 1.00 0.00 C ATOM 840 CG2 ILE A 66 117.644 -0.980 5.534 1.00 0.00 C ATOM 841 CD1 ILE A 66 115.384 1.424 3.585 1.00 0.00 C ATOM 0 H ILE A 66 117.887 2.386 3.205 1.00 0.00 H new ATOM 0 HA ILE A 66 118.142 1.663 6.044 1.00 0.00 H new ATOM 0 HB ILE A 66 117.540 -0.067 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.280 -0.221 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 66 115.800 1.282 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 66 116.970 -1.794 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 66 118.676 -1.302 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.490 -0.706 6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.344 1.702 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 115.982 2.324 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 66 115.453 0.797 2.696 1.00 0.00 H new ATOM 853 N PHE A 67 120.389 1.456 3.778 1.00 0.00 N ATOM 854 CA PHE A 67 121.769 1.128 3.481 1.00 0.00 C ATOM 855 C PHE A 67 122.700 1.755 4.510 1.00 0.00 C ATOM 856 O PHE A 67 123.577 1.091 5.060 1.00 0.00 O ATOM 857 CB PHE A 67 122.106 1.632 2.083 1.00 0.00 C ATOM 858 CG PHE A 67 122.791 0.607 1.224 1.00 0.00 C ATOM 859 CD1 PHE A 67 124.065 0.164 1.535 1.00 0.00 C ATOM 860 CD2 PHE A 67 122.155 0.082 0.111 1.00 0.00 C ATOM 861 CE1 PHE A 67 124.695 -0.783 0.751 1.00 0.00 C ATOM 862 CE2 PHE A 67 122.779 -0.864 -0.678 1.00 0.00 C ATOM 863 CZ PHE A 67 124.050 -1.300 -0.357 1.00 0.00 C ATOM 0 H PHE A 67 119.964 2.109 3.119 1.00 0.00 H new ATOM 0 HA PHE A 67 121.903 0.047 3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 67 121.188 1.952 1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 67 122.746 2.510 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 67 124.572 0.563 2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 67 121.160 0.416 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 67 125.690 -1.119 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 67 122.274 -1.263 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 67 124.538 -2.043 -0.970 1.00 0.00 H new ATOM 873 N THR A 68 122.490 3.039 4.766 1.00 0.00 N ATOM 874 CA THR A 68 123.298 3.777 5.730 1.00 0.00 C ATOM 875 C THR A 68 122.859 3.468 7.160 1.00 0.00 C ATOM 876 O THR A 68 123.653 3.553 8.096 1.00 0.00 O ATOM 877 CB THR A 68 123.196 5.282 5.469 1.00 0.00 C ATOM 878 OG1 THR A 68 122.401 5.543 4.326 1.00 0.00 O ATOM 879 CG2 THR A 68 124.540 5.942 5.251 1.00 0.00 C ATOM 0 H THR A 68 121.762 3.595 4.317 1.00 0.00 H new ATOM 0 HA THR A 68 124.335 3.463 5.610 1.00 0.00 H new ATOM 0 HB THR A 68 122.743 5.700 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 68 122.348 6.510 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 68 124.397 7.008 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 68 125.161 5.803 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 68 125.031 5.491 4.388 1.00 0.00 H new ATOM 887 N ASP A 69 121.587 3.117 7.320 1.00 0.00 N ATOM 888 CA ASP A 69 121.037 2.801 8.634 1.00 0.00 C ATOM 889 C ASP A 69 121.809 1.665 9.299 1.00 0.00 C ATOM 890 O ASP A 69 121.838 1.557 10.524 1.00 0.00 O ATOM 891 CB ASP A 69 119.558 2.428 8.515 1.00 0.00 C ATOM 892 CG ASP A 69 118.773 2.765 9.768 1.00 0.00 C ATOM 893 OD1 ASP A 69 119.007 3.849 10.342 1.00 0.00 O ATOM 894 OD2 ASP A 69 117.924 1.944 10.176 1.00 0.00 O ATOM 0 H ASP A 69 120.917 3.044 6.555 1.00 0.00 H new ATOM 0 HA ASP A 69 121.134 3.689 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 69 119.122 2.952 7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 69 119.471 1.361 8.311 1.00 0.00 H new ATOM 899 N GLN A 70 122.438 0.823 8.487 1.00 0.00 N ATOM 900 CA GLN A 70 123.211 -0.301 9.005 1.00 0.00 C ATOM 901 C GLN A 70 124.711 -0.063 8.839 1.00 0.00 C ATOM 902 O GLN A 70 125.508 -0.997 8.927 1.00 0.00 O ATOM 903 CB GLN A 70 122.809 -1.597 8.297 1.00 0.00 C ATOM 904 CG GLN A 70 122.993 -1.549 6.789 1.00 0.00 C ATOM 905 CD GLN A 70 123.907 -2.645 6.276 1.00 0.00 C ATOM 906 OE1 GLN A 70 123.820 -3.795 6.707 1.00 0.00 O ATOM 907 NE2 GLN A 70 124.793 -2.293 5.352 1.00 0.00 N ATOM 0 H GLN A 70 122.428 0.896 7.470 1.00 0.00 H new ATOM 0 HA GLN A 70 122.993 -0.392 10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 70 123.399 -2.420 8.701 1.00 0.00 H new ATOM 0 HB3 GLN A 70 121.765 -1.814 8.520 1.00 0.00 H new ATOM 0 HG2 GLN A 70 122.020 -1.637 6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 70 123.402 -0.579 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 70 124.831 -1.328 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 70 125.436 -2.987 4.971 1.00 0.00 H new ATOM 916 N VAL A 71 125.088 1.189 8.597 1.00 0.00 N ATOM 917 CA VAL A 71 126.489 1.550 8.419 1.00 0.00 C ATOM 918 C VAL A 71 127.000 2.335 9.618 1.00 0.00 C ATOM 919 O VAL A 71 127.873 1.867 10.347 1.00 0.00 O ATOM 920 CB VAL A 71 126.679 2.382 7.136 1.00 0.00 C ATOM 921 CG1 VAL A 71 128.129 2.815 6.970 1.00 0.00 C ATOM 922 CG2 VAL A 71 126.214 1.593 5.922 1.00 0.00 C ATOM 0 H VAL A 71 124.439 1.972 8.520 1.00 0.00 H new ATOM 0 HA VAL A 71 127.062 0.627 8.330 1.00 0.00 H new ATOM 0 HB VAL A 71 126.071 3.282 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 71 128.232 3.400 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 71 128.428 3.422 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 71 128.767 1.934 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 71 126.354 2.193 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 71 126.796 0.675 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 71 125.158 1.345 6.032 1.00 0.00 H new ATOM 932 N LEU A 72 126.439 3.519 9.837 1.00 0.00 N ATOM 933 CA LEU A 72 126.841 4.339 10.964 1.00 0.00 C ATOM 934 C LEU A 72 126.372 3.687 12.254 1.00 0.00 C ATOM 935 O LEU A 72 127.021 3.789 13.294 1.00 0.00 O ATOM 936 CB LEU A 72 126.281 5.766 10.852 1.00 0.00 C ATOM 937 CG LEU A 72 124.986 5.915 10.046 1.00 0.00 C ATOM 938 CD1 LEU A 72 124.124 7.033 10.617 1.00 0.00 C ATOM 939 CD2 LEU A 72 125.300 6.180 8.579 1.00 0.00 C ATOM 0 H LEU A 72 125.710 3.927 9.251 1.00 0.00 H new ATOM 0 HA LEU A 72 127.928 4.414 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 72 126.106 6.147 11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 72 127.043 6.400 10.399 1.00 0.00 H new ATOM 0 HG LEU A 72 124.428 4.982 10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 72 123.209 7.123 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 72 123.871 6.805 11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 72 124.674 7.973 10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 72 124.370 6.283 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 72 125.880 7.099 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 72 125.876 5.348 8.174 1.00 0.00 H new ATOM 951 N SER A 73 125.240 3.000 12.164 1.00 0.00 N ATOM 952 CA SER A 73 124.664 2.309 13.305 1.00 0.00 C ATOM 953 C SER A 73 125.505 1.102 13.702 1.00 0.00 C ATOM 954 O SER A 73 125.313 0.529 14.773 1.00 0.00 O ATOM 955 CB SER A 73 123.244 1.861 12.974 1.00 0.00 C ATOM 956 OG SER A 73 122.428 1.842 14.132 1.00 0.00 O ATOM 0 H SER A 73 124.700 2.908 11.303 1.00 0.00 H new ATOM 0 HA SER A 73 124.644 3.001 14.147 1.00 0.00 H new ATOM 0 HB2 SER A 73 122.812 2.533 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 73 123.269 0.867 12.527 1.00 0.00 H new ATOM 0 HG SER A 73 121.523 1.553 13.890 1.00 0.00 H new ATOM 962 N VAL A 74 126.429 0.707 12.830 1.00 0.00 N ATOM 963 CA VAL A 74 127.276 -0.447 13.099 1.00 0.00 C ATOM 964 C VAL A 74 128.763 -0.099 13.100 1.00 0.00 C ATOM 965 O VAL A 74 129.568 -0.846 13.656 1.00 0.00 O ATOM 966 CB VAL A 74 127.039 -1.557 12.060 1.00 0.00 C ATOM 967 CG1 VAL A 74 127.753 -2.836 12.471 1.00 0.00 C ATOM 968 CG2 VAL A 74 125.550 -1.805 11.871 1.00 0.00 C ATOM 0 H VAL A 74 126.608 1.167 11.937 1.00 0.00 H new ATOM 0 HA VAL A 74 127.000 -0.793 14.095 1.00 0.00 H new ATOM 0 HB VAL A 74 127.452 -1.229 11.106 1.00 0.00 H new ATOM 0 HG11 VAL A 74 127.573 -3.609 11.724 1.00 0.00 H new ATOM 0 HG12 VAL A 74 128.824 -2.647 12.547 1.00 0.00 H new ATOM 0 HG13 VAL A 74 127.374 -3.170 13.437 1.00 0.00 H new ATOM 0 HG21 VAL A 74 125.403 -2.593 11.133 1.00 0.00 H new ATOM 0 HG22 VAL A 74 125.109 -2.110 12.820 1.00 0.00 H new ATOM 0 HG23 VAL A 74 125.070 -0.890 11.525 1.00 0.00 H new ATOM 978 N LEU A 75 129.144 1.007 12.459 1.00 0.00 N ATOM 979 CA LEU A 75 130.565 1.370 12.400 1.00 0.00 C ATOM 980 C LEU A 75 130.857 2.795 12.876 1.00 0.00 C ATOM 981 O LEU A 75 132.020 3.152 13.059 1.00 0.00 O ATOM 982 CB LEU A 75 131.095 1.183 10.978 1.00 0.00 C ATOM 983 CG LEU A 75 130.688 2.269 9.981 1.00 0.00 C ATOM 984 CD1 LEU A 75 131.804 3.289 9.817 1.00 0.00 C ATOM 985 CD2 LEU A 75 130.326 1.652 8.639 1.00 0.00 C ATOM 0 H LEU A 75 128.511 1.652 11.985 1.00 0.00 H new ATOM 0 HA LEU A 75 131.079 0.701 13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 75 132.183 1.138 11.017 1.00 0.00 H new ATOM 0 HB3 LEU A 75 130.749 0.220 10.603 1.00 0.00 H new ATOM 0 HG LEU A 75 129.809 2.782 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 75 131.496 4.054 9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 75 132.016 3.755 10.780 1.00 0.00 H new ATOM 0 HD13 LEU A 75 132.701 2.791 9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 75 130.039 2.439 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 131.186 1.113 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 75 129.493 0.961 8.769 1.00 0.00 H new ATOM 997 N LYS A 76 129.829 3.615 13.075 1.00 0.00 N ATOM 998 CA LYS A 76 130.051 4.986 13.523 1.00 0.00 C ATOM 999 C LYS A 76 129.766 5.138 15.014 1.00 0.00 C ATOM 1000 O LYS A 76 130.093 6.161 15.615 1.00 0.00 O ATOM 1001 CB LYS A 76 129.165 5.937 12.732 1.00 0.00 C ATOM 1002 CG LYS A 76 129.839 6.514 11.496 1.00 0.00 C ATOM 1003 CD LYS A 76 130.134 7.997 11.659 1.00 0.00 C ATOM 1004 CE LYS A 76 131.322 8.428 10.813 1.00 0.00 C ATOM 1005 NZ LYS A 76 131.058 9.704 10.092 1.00 0.00 N ATOM 0 H LYS A 76 128.851 3.361 12.936 1.00 0.00 H new ATOM 0 HA LYS A 76 131.099 5.230 13.352 1.00 0.00 H new ATOM 0 HB2 LYS A 76 128.260 5.410 12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 76 128.855 6.756 13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 76 130.768 5.977 11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 76 129.198 6.363 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 76 129.255 8.577 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 76 130.335 8.215 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 76 132.198 8.546 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 76 131.557 7.645 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 131.892 9.963 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 130.238 9.584 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 130.859 10.457 10.781 1.00 0.00 H new ATOM 1019 N GLY A 77 129.144 4.125 15.600 1.00 0.00 N ATOM 1020 CA GLY A 77 128.809 4.176 17.006 1.00 0.00 C ATOM 1021 C GLY A 77 127.313 4.191 17.208 1.00 0.00 C ATOM 1022 O GLY A 77 126.796 4.910 18.063 1.00 0.00 O ATOM 0 H GLY A 77 128.865 3.267 15.124 1.00 0.00 H new ATOM 0 HA2 GLY A 77 129.239 3.315 17.517 1.00 0.00 H new ATOM 0 HA3 GLY A 77 129.249 5.066 17.456 1.00 0.00 H new ATOM 1026 N GLU A 78 126.620 3.387 16.409 1.00 0.00 N ATOM 1027 CA GLU A 78 125.175 3.292 16.480 1.00 0.00 C ATOM 1028 C GLU A 78 124.509 4.613 16.089 1.00 0.00 C ATOM 1029 O GLU A 78 123.799 5.218 16.893 1.00 0.00 O ATOM 1030 CB GLU A 78 124.763 2.879 17.887 1.00 0.00 C ATOM 1031 CG GLU A 78 123.493 2.045 17.932 1.00 0.00 C ATOM 1032 CD GLU A 78 122.870 2.007 19.315 1.00 0.00 C ATOM 1033 OE1 GLU A 78 123.537 1.529 20.254 1.00 0.00 O ATOM 1034 OE2 GLU A 78 121.713 2.458 19.456 1.00 0.00 O ATOM 0 H GLU A 78 127.045 2.789 15.700 1.00 0.00 H new ATOM 0 HA GLU A 78 124.841 2.537 15.769 1.00 0.00 H new ATOM 0 HB2 GLU A 78 125.575 2.313 18.342 1.00 0.00 H new ATOM 0 HB3 GLU A 78 124.621 3.774 18.492 1.00 0.00 H new ATOM 0 HG2 GLU A 78 122.771 2.450 17.223 1.00 0.00 H new ATOM 0 HG3 GLU A 78 123.719 1.028 17.611 1.00 0.00 H new ATOM 1041 N GLU A 79 124.734 5.056 14.846 1.00 0.00 N ATOM 1042 CA GLU A 79 124.141 6.302 14.367 1.00 0.00 C ATOM 1043 C GLU A 79 124.749 7.504 15.083 1.00 0.00 C ATOM 1044 O GLU A 79 125.130 7.359 16.263 1.00 0.00 O ATOM 1045 CB GLU A 79 122.620 6.285 14.563 1.00 0.00 C ATOM 1046 CG GLU A 79 121.841 6.108 13.271 1.00 0.00 C ATOM 1047 CD GLU A 79 120.878 7.250 13.005 1.00 0.00 C ATOM 1048 OE1 GLU A 79 119.721 7.169 13.468 1.00 0.00 O ATOM 1049 OE2 GLU A 79 121.280 8.223 12.333 1.00 0.00 O ATOM 0 H GLU A 79 125.317 4.573 14.163 1.00 0.00 H new ATOM 0 HA GLU A 79 124.356 6.390 13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 79 122.360 5.478 15.248 1.00 0.00 H new ATOM 0 HB3 GLU A 79 122.313 7.217 15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 79 122.540 6.027 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 79 121.285 5.172 13.313 1.00 0.00 H new TER 1056 GLU A 79