USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 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 29 CYS SG : rot 90:sc= -1.01! USER MOD Set 1.2: A 61 MET CE :methyl -150:sc= 0 (180deg=-0.271) USER MOD Set 2.1: A 18 THR OG1 : rot 122:sc= 0.777 USER MOD Set 2.2: A 20 ASN :FLIP amide:sc= 0.527 F(o=-0.19,f=1.3) USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.097 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.211 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc=-0.00814 (180deg=-0.132) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= 1.15 (180deg=0.894) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0437) USER MOD Single : A 35 SER OG : rot 105:sc= 0.139 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 175:sc= -0.143 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.0122 (180deg=-0.156) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= 1.84 (180deg=-0.578) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.136 F(o=-2.3!,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0.345 K(o=0.34,f=-3.7!) USER MOD Single : A 54 SER OG : rot -28:sc= 0.395 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 59 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.4!) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.766) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0707) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 19.101 -9.781 11.970 1.00 33.32 N ATOM 2 CA SER A 1 17.882 -8.921 11.899 1.00 34.53 C ATOM 3 C SER A 1 18.099 -7.744 10.909 1.00 52.24 C ATOM 4 O SER A 1 19.069 -7.746 10.142 1.00 73.21 O ATOM 5 CB SER A 1 17.516 -8.414 13.325 1.00 45.03 C ATOM 6 OG SER A 1 16.270 -7.724 13.346 1.00 70.15 O ATOM 0 H1 SER A 1 18.850 -10.760 11.726 1.00 33.32 H new ATOM 0 H2 SER A 1 19.814 -9.429 11.299 1.00 33.32 H new ATOM 0 H3 SER A 1 19.490 -9.753 12.934 1.00 33.32 H new ATOM 0 HA SER A 1 17.046 -9.510 11.521 1.00 34.53 H new ATOM 0 HB2 SER A 1 17.472 -9.261 14.010 1.00 45.03 H new ATOM 0 HB3 SER A 1 18.303 -7.752 13.687 1.00 45.03 H new ATOM 0 HG SER A 1 16.077 -7.424 14.259 1.00 70.15 H new ATOM 14 N HIS A 2 17.183 -6.746 10.923 1.00 52.14 N ATOM 15 CA HIS A 2 17.248 -5.567 10.028 1.00 62.21 C ATOM 16 C HIS A 2 18.366 -4.589 10.489 1.00 53.41 C ATOM 17 O HIS A 2 18.116 -3.657 11.262 1.00 2.35 O ATOM 18 CB HIS A 2 15.877 -4.837 9.996 1.00 71.22 C ATOM 19 CG HIS A 2 14.681 -5.731 9.779 1.00 3.25 C ATOM 20 ND1 HIS A 2 14.276 -6.164 8.535 1.00 21.32 N ATOM 21 CD2 HIS A 2 13.787 -6.255 10.661 1.00 4.24 C ATOM 22 CE1 HIS A 2 13.198 -6.907 8.656 1.00 53.14 C ATOM 23 NE2 HIS A 2 12.883 -6.980 9.932 1.00 54.01 N ATOM 0 H HIS A 2 16.381 -6.736 11.553 1.00 52.14 H new ATOM 0 HA HIS A 2 17.485 -5.913 9.022 1.00 62.21 H new ATOM 0 HB2 HIS A 2 15.746 -4.302 10.937 1.00 71.22 H new ATOM 0 HB3 HIS A 2 15.900 -4.088 9.204 1.00 71.22 H new ATOM 0 HD2 HIS A 2 13.790 -6.124 11.733 1.00 4.24 H new ATOM 0 HE1 HIS A 2 12.662 -7.378 7.845 1.00 53.14 H new ATOM 0 HE2 HIS A 2 12.091 -7.495 10.317 1.00 54.01 H new ATOM 32 N MET A 3 19.604 -4.839 10.038 1.00 45.34 N ATOM 33 CA MET A 3 20.801 -4.070 10.465 1.00 23.33 C ATOM 34 C MET A 3 21.340 -3.210 9.287 1.00 40.11 C ATOM 35 O MET A 3 21.269 -3.640 8.130 1.00 64.00 O ATOM 36 CB MET A 3 21.876 -5.058 11.009 1.00 34.10 C ATOM 37 CG MET A 3 23.009 -4.412 11.819 1.00 1.01 C ATOM 38 SD MET A 3 24.065 -5.645 12.617 1.00 74.53 S ATOM 39 CE MET A 3 25.136 -4.628 13.639 1.00 5.34 C ATOM 0 H MET A 3 19.812 -5.578 9.367 1.00 45.34 H new ATOM 0 HA MET A 3 20.535 -3.381 11.266 1.00 23.33 H new ATOM 0 HB2 MET A 3 21.380 -5.800 11.636 1.00 34.10 H new ATOM 0 HB3 MET A 3 22.313 -5.594 10.166 1.00 34.10 H new ATOM 0 HG2 MET A 3 23.614 -3.788 11.161 1.00 1.01 H new ATOM 0 HG3 MET A 3 22.583 -3.755 12.577 1.00 1.01 H new ATOM 0 HE1 MET A 3 25.833 -5.266 14.182 1.00 5.34 H new ATOM 0 HE2 MET A 3 25.694 -3.937 13.007 1.00 5.34 H new ATOM 0 HE3 MET A 3 24.532 -4.063 14.349 1.00 5.34 H new ATOM 49 N LYS A 4 21.868 -2.005 9.614 1.00 1.24 N ATOM 50 CA LYS A 4 22.270 -0.963 8.629 1.00 2.12 C ATOM 51 C LYS A 4 21.044 -0.392 7.865 1.00 25.14 C ATOM 52 O LYS A 4 20.600 -0.953 6.856 1.00 65.55 O ATOM 53 CB LYS A 4 23.386 -1.449 7.640 1.00 41.24 C ATOM 54 CG LYS A 4 24.823 -1.446 8.224 1.00 51.53 C ATOM 55 CD LYS A 4 25.326 -0.014 8.538 1.00 34.12 C ATOM 56 CE LYS A 4 26.788 0.021 9.021 1.00 60.25 C ATOM 57 NZ LYS A 4 27.258 1.413 9.285 1.00 74.12 N ATOM 0 H LYS A 4 22.030 -1.723 10.581 1.00 1.24 H new ATOM 0 HA LYS A 4 22.709 -0.153 9.211 1.00 2.12 H new ATOM 0 HB2 LYS A 4 23.145 -2.460 7.312 1.00 41.24 H new ATOM 0 HB3 LYS A 4 23.368 -0.814 6.754 1.00 41.24 H new ATOM 0 HG2 LYS A 4 24.844 -2.044 9.135 1.00 51.53 H new ATOM 0 HG3 LYS A 4 25.502 -1.920 7.515 1.00 51.53 H new ATOM 0 HD2 LYS A 4 25.230 0.602 7.644 1.00 34.12 H new ATOM 0 HD3 LYS A 4 24.687 0.430 9.301 1.00 34.12 H new ATOM 0 HE2 LYS A 4 26.883 -0.572 9.930 1.00 60.25 H new ATOM 0 HE3 LYS A 4 27.429 -0.441 8.270 1.00 60.25 H new ATOM 0 HZ1 LYS A 4 28.246 1.390 9.608 1.00 74.12 H new ATOM 0 HZ2 LYS A 4 27.192 1.973 8.411 1.00 74.12 H new ATOM 0 HZ3 LYS A 4 26.664 1.847 10.020 1.00 74.12 H new ATOM 71 N ASN A 5 20.490 0.720 8.387 1.00 75.33 N ATOM 72 CA ASN A 5 19.405 1.476 7.726 1.00 24.42 C ATOM 73 C ASN A 5 20.027 2.648 6.928 1.00 45.14 C ATOM 74 O ASN A 5 20.140 3.773 7.432 1.00 20.30 O ATOM 75 CB ASN A 5 18.381 1.991 8.781 1.00 71.03 C ATOM 76 CG ASN A 5 17.850 0.886 9.705 1.00 35.20 C ATOM 77 OD1 ASN A 5 17.760 -0.282 9.334 1.00 4.42 O ATOM 78 ND2 ASN A 5 17.485 1.249 10.923 1.00 4.24 N ATOM 0 H ASN A 5 20.781 1.120 9.279 1.00 75.33 H new ATOM 0 HA ASN A 5 18.865 0.825 7.038 1.00 24.42 H new ATOM 0 HB2 ASN A 5 18.852 2.765 9.386 1.00 71.03 H new ATOM 0 HB3 ASN A 5 17.542 2.457 8.265 1.00 71.03 H new ATOM 0 HD21 ASN A 5 17.121 0.554 11.575 1.00 4.24 H new ATOM 0 HD22 ASN A 5 17.568 2.224 11.211 1.00 4.24 H new ATOM 85 N VAL A 6 20.486 2.345 5.699 1.00 43.21 N ATOM 86 CA VAL A 6 21.265 3.290 4.871 1.00 13.13 C ATOM 87 C VAL A 6 20.376 4.459 4.369 1.00 62.33 C ATOM 88 O VAL A 6 19.569 4.297 3.439 1.00 53.13 O ATOM 89 CB VAL A 6 21.953 2.552 3.656 1.00 64.24 C ATOM 90 CG1 VAL A 6 22.844 3.513 2.825 1.00 31.43 C ATOM 91 CG2 VAL A 6 22.763 1.317 4.137 1.00 20.24 C ATOM 0 H VAL A 6 20.329 1.442 5.252 1.00 43.21 H new ATOM 0 HA VAL A 6 22.050 3.708 5.501 1.00 13.13 H new ATOM 0 HB VAL A 6 21.157 2.200 3.000 1.00 64.24 H new ATOM 0 HG11 VAL A 6 23.298 2.965 1.999 1.00 31.43 H new ATOM 0 HG12 VAL A 6 22.233 4.325 2.430 1.00 31.43 H new ATOM 0 HG13 VAL A 6 23.627 3.925 3.462 1.00 31.43 H new ATOM 0 HG21 VAL A 6 23.226 0.829 3.279 1.00 20.24 H new ATOM 0 HG22 VAL A 6 23.538 1.639 4.833 1.00 20.24 H new ATOM 0 HG23 VAL A 6 22.095 0.616 4.637 1.00 20.24 H new ATOM 101 N ILE A 7 20.498 5.619 5.041 1.00 2.35 N ATOM 102 CA ILE A 7 19.806 6.864 4.641 1.00 15.23 C ATOM 103 C ILE A 7 20.426 7.464 3.355 1.00 63.21 C ATOM 104 O ILE A 7 21.637 7.339 3.113 1.00 74.31 O ATOM 105 CB ILE A 7 19.800 7.941 5.793 1.00 12.03 C ATOM 106 CG1 ILE A 7 21.256 8.288 6.267 1.00 65.20 C ATOM 107 CG2 ILE A 7 18.921 7.465 6.976 1.00 24.44 C ATOM 108 CD1 ILE A 7 21.348 9.388 7.318 1.00 24.13 C ATOM 0 H ILE A 7 21.077 5.722 5.875 1.00 2.35 H new ATOM 0 HA ILE A 7 18.771 6.590 4.437 1.00 15.23 H new ATOM 0 HB ILE A 7 19.367 8.858 5.393 1.00 12.03 H new ATOM 0 HG12 ILE A 7 21.716 7.385 6.667 1.00 65.20 H new ATOM 0 HG13 ILE A 7 21.843 8.587 5.398 1.00 65.20 H new ATOM 0 HG21 ILE A 7 18.928 8.220 7.762 1.00 24.44 H new ATOM 0 HG22 ILE A 7 17.899 7.311 6.631 1.00 24.44 H new ATOM 0 HG23 ILE A 7 19.316 6.528 7.369 1.00 24.44 H new ATOM 0 HD11 ILE A 7 22.393 9.554 7.580 1.00 24.13 H new ATOM 0 HD12 ILE A 7 20.923 10.309 6.919 1.00 24.13 H new ATOM 0 HD13 ILE A 7 20.794 9.088 8.208 1.00 24.13 H new ATOM 120 N LYS A 8 19.577 8.124 2.550 1.00 25.15 N ATOM 121 CA LYS A 8 19.951 8.611 1.203 1.00 63.01 C ATOM 122 C LYS A 8 19.001 9.733 0.708 1.00 75.32 C ATOM 123 O LYS A 8 18.020 10.079 1.377 1.00 32.24 O ATOM 124 CB LYS A 8 19.971 7.416 0.200 1.00 13.32 C ATOM 125 CG LYS A 8 18.650 6.613 0.124 1.00 40.43 C ATOM 126 CD LYS A 8 18.751 5.393 -0.820 1.00 5.11 C ATOM 127 CE LYS A 8 17.472 4.533 -0.827 1.00 53.21 C ATOM 128 NZ LYS A 8 17.595 3.364 -1.743 1.00 55.32 N ATOM 0 H LYS A 8 18.614 8.337 2.810 1.00 25.15 H new ATOM 0 HA LYS A 8 20.949 9.046 1.264 1.00 63.01 H new ATOM 0 HB2 LYS A 8 20.206 7.797 -0.794 1.00 13.32 H new ATOM 0 HB3 LYS A 8 20.777 6.738 0.480 1.00 13.32 H new ATOM 0 HG2 LYS A 8 18.377 6.273 1.123 1.00 40.43 H new ATOM 0 HG3 LYS A 8 17.850 7.268 -0.219 1.00 40.43 H new ATOM 0 HD2 LYS A 8 18.955 5.740 -1.833 1.00 5.11 H new ATOM 0 HD3 LYS A 8 19.597 4.775 -0.518 1.00 5.11 H new ATOM 0 HE2 LYS A 8 17.265 4.182 0.184 1.00 53.21 H new ATOM 0 HE3 LYS A 8 16.624 5.146 -1.132 1.00 53.21 H new ATOM 0 HZ1 LYS A 8 16.715 2.811 -1.720 1.00 55.32 H new ATOM 0 HZ2 LYS A 8 17.768 3.699 -2.712 1.00 55.32 H new ATOM 0 HZ3 LYS A 8 18.389 2.765 -1.437 1.00 55.32 H new ATOM 142 N LYS A 9 19.323 10.280 -0.481 1.00 0.52 N ATOM 143 CA LYS A 9 18.584 11.403 -1.111 1.00 4.24 C ATOM 144 C LYS A 9 17.118 11.039 -1.482 1.00 71.04 C ATOM 145 O LYS A 9 16.798 9.875 -1.762 1.00 63.15 O ATOM 146 CB LYS A 9 19.344 11.864 -2.389 1.00 23.15 C ATOM 147 CG LYS A 9 19.551 10.738 -3.434 1.00 14.04 C ATOM 148 CD LYS A 9 20.204 11.223 -4.750 1.00 52.22 C ATOM 149 CE LYS A 9 20.430 10.068 -5.748 1.00 32.32 C ATOM 150 NZ LYS A 9 19.167 9.341 -6.063 1.00 52.40 N ATOM 0 H LYS A 9 20.111 9.954 -1.040 1.00 0.52 H new ATOM 0 HA LYS A 9 18.534 12.206 -0.376 1.00 4.24 H new ATOM 0 HB2 LYS A 9 18.792 12.681 -2.854 1.00 23.15 H new ATOM 0 HB3 LYS A 9 20.317 12.261 -2.099 1.00 23.15 H new ATOM 0 HG2 LYS A 9 20.174 9.958 -2.996 1.00 14.04 H new ATOM 0 HG3 LYS A 9 18.586 10.285 -3.663 1.00 14.04 H new ATOM 0 HD2 LYS A 9 19.570 11.980 -5.211 1.00 52.22 H new ATOM 0 HD3 LYS A 9 21.158 11.700 -4.526 1.00 52.22 H new ATOM 0 HE2 LYS A 9 20.859 10.464 -6.669 1.00 32.32 H new ATOM 0 HE3 LYS A 9 21.156 9.369 -5.333 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 19.330 8.690 -6.857 1.00 52.40 H new ATOM 0 HZ2 LYS A 9 18.860 8.800 -5.229 1.00 52.40 H new ATOM 0 HZ3 LYS A 9 18.428 10.025 -6.323 1.00 52.40 H new ATOM 164 N LYS A 10 16.244 12.060 -1.496 1.00 74.13 N ATOM 165 CA LYS A 10 14.850 11.939 -1.969 1.00 0.40 C ATOM 166 C LYS A 10 14.591 13.060 -3.014 1.00 34.15 C ATOM 167 O LYS A 10 14.030 14.118 -2.702 1.00 43.13 O ATOM 168 CB LYS A 10 13.854 11.984 -0.754 1.00 62.43 C ATOM 169 CG LYS A 10 12.446 11.347 -0.987 1.00 35.42 C ATOM 170 CD LYS A 10 11.520 12.176 -1.911 1.00 3.52 C ATOM 171 CE LYS A 10 10.144 11.521 -2.133 1.00 14.51 C ATOM 172 NZ LYS A 10 9.261 12.363 -2.987 1.00 3.42 N ATOM 0 H LYS A 10 16.484 12.999 -1.178 1.00 74.13 H new ATOM 0 HA LYS A 10 14.684 10.978 -2.455 1.00 0.40 H new ATOM 0 HB2 LYS A 10 14.322 11.479 0.091 1.00 62.43 H new ATOM 0 HB3 LYS A 10 13.714 13.026 -0.465 1.00 62.43 H new ATOM 0 HG2 LYS A 10 12.575 10.354 -1.417 1.00 35.42 H new ATOM 0 HG3 LYS A 10 11.955 11.215 -0.023 1.00 35.42 H new ATOM 0 HD2 LYS A 10 11.379 13.167 -1.479 1.00 3.52 H new ATOM 0 HD3 LYS A 10 12.009 12.315 -2.875 1.00 3.52 H new ATOM 0 HE2 LYS A 10 10.277 10.545 -2.600 1.00 14.51 H new ATOM 0 HE3 LYS A 10 9.663 11.351 -1.170 1.00 14.51 H new ATOM 0 HZ1 LYS A 10 8.296 11.977 -2.975 1.00 3.42 H new ATOM 0 HZ2 LYS A 10 9.249 13.336 -2.620 1.00 3.42 H new ATOM 0 HZ3 LYS A 10 9.621 12.365 -3.963 1.00 3.42 H new ATOM 186 N GLY A 11 15.078 12.830 -4.245 1.00 24.44 N ATOM 187 CA GLY A 11 14.837 13.724 -5.396 1.00 30.20 C ATOM 188 C GLY A 11 14.137 13.002 -6.544 1.00 65.14 C ATOM 189 O GLY A 11 14.242 13.399 -7.709 1.00 45.14 O ATOM 0 H GLY A 11 15.651 12.018 -4.473 1.00 24.44 H new ATOM 0 HA2 GLY A 11 14.230 14.571 -5.076 1.00 30.20 H new ATOM 0 HA3 GLY A 11 15.787 14.127 -5.747 1.00 30.20 H new ATOM 193 N GLU A 12 13.411 11.929 -6.193 1.00 44.30 N ATOM 194 CA GLU A 12 12.758 11.016 -7.156 1.00 34.32 C ATOM 195 C GLU A 12 11.248 10.889 -6.827 1.00 53.30 C ATOM 196 O GLU A 12 10.890 10.513 -5.696 1.00 44.11 O ATOM 197 CB GLU A 12 13.475 9.627 -7.106 1.00 51.44 C ATOM 198 CG GLU A 12 14.977 9.686 -7.486 1.00 43.55 C ATOM 199 CD GLU A 12 15.746 8.378 -7.229 1.00 34.22 C ATOM 200 OE1 GLU A 12 15.720 7.475 -8.101 1.00 75.15 O ATOM 201 OE2 GLU A 12 16.397 8.254 -6.159 1.00 1.31 O ATOM 0 H GLU A 12 13.256 11.664 -5.220 1.00 44.30 H new ATOM 0 HA GLU A 12 12.841 11.414 -8.167 1.00 34.32 H new ATOM 0 HB2 GLU A 12 13.380 9.215 -6.101 1.00 51.44 H new ATOM 0 HB3 GLU A 12 12.965 8.940 -7.782 1.00 51.44 H new ATOM 0 HG2 GLU A 12 15.063 9.943 -8.542 1.00 43.55 H new ATOM 0 HG3 GLU A 12 15.451 10.490 -6.923 1.00 43.55 H new ATOM 208 N ILE A 13 10.389 11.240 -7.821 1.00 12.03 N ATOM 209 CA ILE A 13 8.899 11.201 -7.734 1.00 11.25 C ATOM 210 C ILE A 13 8.330 12.293 -6.769 1.00 14.00 C ATOM 211 O ILE A 13 8.869 12.532 -5.690 1.00 74.42 O ATOM 212 CB ILE A 13 8.338 9.762 -7.363 1.00 42.21 C ATOM 213 CG1 ILE A 13 8.848 8.691 -8.390 1.00 31.54 C ATOM 214 CG2 ILE A 13 6.787 9.750 -7.289 1.00 31.43 C ATOM 215 CD1 ILE A 13 8.401 7.258 -8.110 1.00 13.12 C ATOM 0 H ILE A 13 10.719 11.567 -8.729 1.00 12.03 H new ATOM 0 HA ILE A 13 8.543 11.431 -8.738 1.00 11.25 H new ATOM 0 HB ILE A 13 8.716 9.508 -6.373 1.00 42.21 H new ATOM 0 HG12 ILE A 13 8.506 8.974 -9.386 1.00 31.54 H new ATOM 0 HG13 ILE A 13 9.938 8.718 -8.408 1.00 31.54 H new ATOM 0 HG21 ILE A 13 6.443 8.748 -7.033 1.00 31.43 H new ATOM 0 HG22 ILE A 13 6.454 10.454 -6.527 1.00 31.43 H new ATOM 0 HG23 ILE A 13 6.374 10.039 -8.256 1.00 31.43 H new ATOM 0 HD11 ILE A 13 8.805 6.595 -8.875 1.00 13.12 H new ATOM 0 HD12 ILE A 13 8.766 6.948 -7.131 1.00 13.12 H new ATOM 0 HD13 ILE A 13 7.312 7.207 -8.124 1.00 13.12 H new ATOM 227 N ILE A 14 7.225 12.951 -7.189 1.00 30.31 N ATOM 228 CA ILE A 14 6.559 14.039 -6.410 1.00 42.13 C ATOM 229 C ILE A 14 5.882 13.530 -5.102 1.00 52.15 C ATOM 230 O ILE A 14 5.675 14.297 -4.154 1.00 50.02 O ATOM 231 CB ILE A 14 5.497 14.801 -7.295 1.00 23.10 C ATOM 232 CG1 ILE A 14 4.385 13.818 -7.805 1.00 23.33 C ATOM 233 CG2 ILE A 14 6.192 15.530 -8.477 1.00 2.11 C ATOM 234 CD1 ILE A 14 3.288 14.454 -8.644 1.00 51.25 C ATOM 0 H ILE A 14 6.764 12.748 -8.076 1.00 30.31 H new ATOM 0 HA ILE A 14 7.354 14.726 -6.119 1.00 42.13 H new ATOM 0 HB ILE A 14 5.012 15.555 -6.676 1.00 23.10 H new ATOM 0 HG12 ILE A 14 4.860 13.033 -8.393 1.00 23.33 H new ATOM 0 HG13 ILE A 14 3.926 13.336 -6.942 1.00 23.33 H new ATOM 0 HG21 ILE A 14 5.443 16.049 -9.075 1.00 2.11 H new ATOM 0 HG22 ILE A 14 6.910 16.252 -8.088 1.00 2.11 H new ATOM 0 HG23 ILE A 14 6.712 14.801 -9.099 1.00 2.11 H new ATOM 0 HD11 ILE A 14 2.571 13.690 -8.945 1.00 51.25 H new ATOM 0 HD12 ILE A 14 2.778 15.218 -8.058 1.00 51.25 H new ATOM 0 HD13 ILE A 14 3.727 14.910 -9.531 1.00 51.25 H new ATOM 246 N ILE A 15 5.563 12.235 -5.075 1.00 74.15 N ATOM 247 CA ILE A 15 4.893 11.569 -3.932 1.00 73.10 C ATOM 248 C ILE A 15 5.940 11.136 -2.876 1.00 14.10 C ATOM 249 O ILE A 15 6.947 10.502 -3.222 1.00 72.11 O ATOM 250 CB ILE A 15 4.096 10.295 -4.412 1.00 21.32 C ATOM 251 CG1 ILE A 15 3.267 10.595 -5.708 1.00 22.41 C ATOM 252 CG2 ILE A 15 3.179 9.760 -3.279 1.00 62.23 C ATOM 253 CD1 ILE A 15 2.715 9.360 -6.411 1.00 22.13 C ATOM 0 H ILE A 15 5.761 11.602 -5.850 1.00 74.15 H new ATOM 0 HA ILE A 15 4.196 12.283 -3.492 1.00 73.10 H new ATOM 0 HB ILE A 15 4.823 9.521 -4.657 1.00 21.32 H new ATOM 0 HG12 ILE A 15 2.436 11.250 -5.448 1.00 22.41 H new ATOM 0 HG13 ILE A 15 3.898 11.143 -6.408 1.00 22.41 H new ATOM 0 HG21 ILE A 15 2.639 8.881 -3.632 1.00 62.23 H new ATOM 0 HG22 ILE A 15 3.787 9.489 -2.416 1.00 62.23 H new ATOM 0 HG23 ILE A 15 2.466 10.533 -2.992 1.00 62.23 H new ATOM 0 HD11 ILE A 15 2.156 9.664 -7.296 1.00 22.13 H new ATOM 0 HD12 ILE A 15 3.539 8.711 -6.708 1.00 22.13 H new ATOM 0 HD13 ILE A 15 2.054 8.820 -5.733 1.00 22.13 H new ATOM 265 N LEU A 16 5.705 11.481 -1.598 1.00 62.42 N ATOM 266 CA LEU A 16 6.564 11.054 -0.471 1.00 53.02 C ATOM 267 C LEU A 16 6.222 9.600 -0.069 1.00 75.12 C ATOM 268 O LEU A 16 5.055 9.260 0.080 1.00 13.11 O ATOM 269 CB LEU A 16 6.397 12.049 0.732 1.00 62.54 C ATOM 270 CG LEU A 16 7.303 11.856 2.016 1.00 62.25 C ATOM 271 CD1 LEU A 16 6.754 10.784 2.993 1.00 22.21 C ATOM 272 CD2 LEU A 16 8.774 11.566 1.631 1.00 34.54 C ATOM 0 H LEU A 16 4.917 12.063 -1.314 1.00 62.42 H new ATOM 0 HA LEU A 16 7.610 11.074 -0.776 1.00 53.02 H new ATOM 0 HB2 LEU A 16 6.572 13.056 0.353 1.00 62.54 H new ATOM 0 HB3 LEU A 16 5.356 12.006 1.053 1.00 62.54 H new ATOM 0 HG LEU A 16 7.273 12.803 2.554 1.00 62.25 H new ATOM 0 HD11 LEU A 16 7.420 10.699 3.852 1.00 22.21 H new ATOM 0 HD12 LEU A 16 5.760 11.076 3.332 1.00 22.21 H new ATOM 0 HD13 LEU A 16 6.696 9.822 2.483 1.00 22.21 H new ATOM 0 HD21 LEU A 16 9.369 11.439 2.536 1.00 34.54 H new ATOM 0 HD22 LEU A 16 8.821 10.655 1.035 1.00 34.54 H new ATOM 0 HD23 LEU A 16 9.170 12.400 1.051 1.00 34.54 H new ATOM 284 N TRP A 17 7.256 8.753 0.091 1.00 23.42 N ATOM 285 CA TRP A 17 7.106 7.351 0.554 1.00 4.22 C ATOM 286 C TRP A 17 8.215 7.004 1.572 1.00 13.54 C ATOM 287 O TRP A 17 9.403 7.244 1.316 1.00 74.34 O ATOM 288 CB TRP A 17 7.144 6.353 -0.640 1.00 50.22 C ATOM 289 CG TRP A 17 5.928 6.411 -1.542 1.00 44.43 C ATOM 290 CD1 TRP A 17 5.839 6.951 -2.795 1.00 4.24 C ATOM 291 CD2 TRP A 17 4.617 5.914 -1.232 1.00 70.32 C ATOM 292 NE1 TRP A 17 4.562 6.811 -3.277 1.00 2.21 N ATOM 293 CE2 TRP A 17 3.793 6.186 -2.333 1.00 42.41 C ATOM 294 CE3 TRP A 17 4.067 5.266 -0.126 1.00 34.24 C ATOM 295 CZ2 TRP A 17 2.447 5.827 -2.364 1.00 32.43 C ATOM 296 CZ3 TRP A 17 2.732 4.911 -0.153 1.00 1.54 C ATOM 297 CH2 TRP A 17 1.931 5.198 -1.265 1.00 52.25 C ATOM 0 H TRP A 17 8.223 9.017 -0.096 1.00 23.42 H new ATOM 0 HA TRP A 17 6.134 7.260 1.038 1.00 4.22 H new ATOM 0 HB2 TRP A 17 8.034 6.553 -1.237 1.00 50.22 H new ATOM 0 HB3 TRP A 17 7.243 5.341 -0.249 1.00 50.22 H new ATOM 0 HD1 TRP A 17 6.654 7.419 -3.327 1.00 4.24 H new ATOM 0 HE1 TRP A 17 4.238 7.123 -4.192 1.00 2.21 H new ATOM 0 HE3 TRP A 17 4.676 5.045 0.738 1.00 34.24 H new ATOM 0 HZ2 TRP A 17 1.832 6.038 -3.227 1.00 32.43 H new ATOM 0 HZ3 TRP A 17 2.300 4.404 0.697 1.00 1.54 H new ATOM 0 HH2 TRP A 17 0.888 4.918 -1.255 1.00 52.25 H new ATOM 308 N THR A 18 7.808 6.432 2.721 1.00 1.14 N ATOM 309 CA THR A 18 8.725 6.029 3.826 1.00 55.35 C ATOM 310 C THR A 18 8.354 4.622 4.350 1.00 41.33 C ATOM 311 O THR A 18 7.280 4.108 4.040 1.00 60.11 O ATOM 312 CB THR A 18 8.700 7.068 5.014 1.00 5.11 C ATOM 313 OG1 THR A 18 7.349 7.326 5.425 1.00 15.43 O ATOM 314 CG2 THR A 18 9.383 8.404 4.649 1.00 5.30 C ATOM 0 H THR A 18 6.828 6.231 2.919 1.00 1.14 H new ATOM 0 HA THR A 18 9.736 6.007 3.419 1.00 55.35 H new ATOM 0 HB THR A 18 9.262 6.618 5.832 1.00 5.11 H new ATOM 0 HG1 THR A 18 7.250 7.113 6.376 1.00 15.43 H new ATOM 0 HG21 THR A 18 9.337 9.081 5.502 1.00 5.30 H new ATOM 0 HG22 THR A 18 10.425 8.220 4.387 1.00 5.30 H new ATOM 0 HG23 THR A 18 8.870 8.855 3.800 1.00 5.30 H new ATOM 322 N ARG A 19 9.240 4.027 5.185 1.00 73.51 N ATOM 323 CA ARG A 19 9.127 2.609 5.639 1.00 23.20 C ATOM 324 C ARG A 19 7.793 2.284 6.372 1.00 55.31 C ATOM 325 O ARG A 19 7.336 1.139 6.352 1.00 72.01 O ATOM 326 CB ARG A 19 10.321 2.239 6.559 1.00 32.34 C ATOM 327 CG ARG A 19 10.369 2.992 7.917 1.00 52.02 C ATOM 328 CD ARG A 19 11.505 2.493 8.829 1.00 62.31 C ATOM 329 NE ARG A 19 11.368 1.052 9.133 1.00 71.42 N ATOM 330 CZ ARG A 19 12.358 0.226 9.405 1.00 14.53 C ATOM 331 NH1 ARG A 19 13.585 0.630 9.432 1.00 62.51 N ATOM 332 NH2 ARG A 19 12.105 -1.018 9.632 1.00 51.51 N ATOM 0 H ARG A 19 10.053 4.511 5.565 1.00 73.51 H new ATOM 0 HA ARG A 19 9.142 2.008 4.730 1.00 23.20 H new ATOM 0 HB2 ARG A 19 10.288 1.168 6.757 1.00 32.34 H new ATOM 0 HB3 ARG A 19 11.248 2.435 6.020 1.00 32.34 H new ATOM 0 HG2 ARG A 19 10.497 4.059 7.733 1.00 52.02 H new ATOM 0 HG3 ARG A 19 9.415 2.870 8.430 1.00 52.02 H new ATOM 0 HD2 ARG A 19 12.465 2.674 8.346 1.00 62.31 H new ATOM 0 HD3 ARG A 19 11.503 3.063 9.758 1.00 62.31 H new ATOM 0 HE ARG A 19 10.425 0.664 9.132 1.00 71.42 H new ATOM 0 HH11 ARG A 19 13.804 1.607 9.240 1.00 62.51 H new ATOM 0 HH12 ARG A 19 14.334 -0.029 9.645 1.00 62.51 H new ATOM 0 HH21 ARG A 19 11.143 -1.357 9.600 1.00 51.51 H new ATOM 0 HH22 ARG A 19 12.866 -1.663 9.843 1.00 51.51 H new ATOM 346 N ASN A 20 7.202 3.305 7.024 1.00 65.24 N ATOM 347 CA ASN A 20 5.906 3.175 7.736 1.00 13.44 C ATOM 348 C ASN A 20 4.732 2.964 6.744 1.00 63.52 C ATOM 349 O ASN A 20 3.783 2.238 7.050 1.00 14.42 O ATOM 350 CB ASN A 20 5.653 4.405 8.657 1.00 32.15 C ATOM 351 CG ASN A 20 5.867 5.746 7.951 1.00 22.44 C ATOM 352 OD1 ASN A 20 7.062 6.293 8.053 1.00 65.13 O flip ATOM 353 ND2 ASN A 20 4.968 6.291 7.322 1.00 24.21 N flip ATOM 0 H ASN A 20 7.604 4.241 7.074 1.00 65.24 H new ATOM 0 HA ASN A 20 5.961 2.288 8.367 1.00 13.44 H new ATOM 0 HB2 ASN A 20 4.632 4.361 9.037 1.00 32.15 H new ATOM 0 HB3 ASN A 20 6.317 4.347 9.520 1.00 32.15 H new ATOM 0 HD21 ASN A 20 4.051 5.849 7.256 1.00 24.21 H new ATOM 0 HD22 ASN A 20 5.137 7.187 6.864 1.00 24.21 H new ATOM 360 N ASP A 21 4.813 3.595 5.554 1.00 64.34 N ATOM 361 CA ASP A 21 3.823 3.406 4.474 1.00 72.42 C ATOM 362 C ASP A 21 3.883 1.961 3.923 1.00 3.32 C ATOM 363 O ASP A 21 2.887 1.228 3.965 1.00 33.33 O ATOM 364 CB ASP A 21 4.059 4.418 3.328 1.00 0.12 C ATOM 365 CG ASP A 21 3.939 5.883 3.781 1.00 74.45 C ATOM 366 OD1 ASP A 21 2.830 6.299 4.182 1.00 12.53 O ATOM 367 OD2 ASP A 21 4.941 6.628 3.742 1.00 34.11 O ATOM 0 H ASP A 21 5.562 4.246 5.316 1.00 64.34 H new ATOM 0 HA ASP A 21 2.833 3.580 4.894 1.00 72.42 H new ATOM 0 HB2 ASP A 21 5.051 4.255 2.906 1.00 0.12 H new ATOM 0 HB3 ASP A 21 3.339 4.230 2.532 1.00 0.12 H new ATOM 372 N ASP A 22 5.084 1.575 3.444 1.00 31.31 N ATOM 373 CA ASP A 22 5.367 0.238 2.858 1.00 30.54 C ATOM 374 C ASP A 22 4.979 -0.928 3.806 1.00 44.54 C ATOM 375 O ASP A 22 4.457 -1.959 3.357 1.00 3.40 O ATOM 376 CB ASP A 22 6.870 0.149 2.487 1.00 73.11 C ATOM 377 CG ASP A 22 7.268 1.161 1.402 1.00 21.44 C ATOM 378 OD1 ASP A 22 7.600 2.316 1.733 1.00 12.23 O ATOM 379 OD2 ASP A 22 7.242 0.806 0.212 1.00 44.11 O ATOM 0 H ASP A 22 5.899 2.188 3.451 1.00 31.31 H new ATOM 0 HA ASP A 22 4.750 0.133 1.965 1.00 30.54 H new ATOM 0 HB2 ASP A 22 7.472 0.322 3.379 1.00 73.11 H new ATOM 0 HB3 ASP A 22 7.096 -0.859 2.140 1.00 73.11 H new ATOM 384 N ARG A 23 5.236 -0.740 5.118 1.00 61.42 N ATOM 385 CA ARG A 23 4.897 -1.737 6.163 1.00 41.35 C ATOM 386 C ARG A 23 3.376 -2.030 6.212 1.00 12.11 C ATOM 387 O ARG A 23 2.956 -3.192 6.175 1.00 51.44 O ATOM 388 CB ARG A 23 5.364 -1.236 7.563 1.00 54.44 C ATOM 389 CG ARG A 23 4.955 -2.159 8.742 1.00 75.34 C ATOM 390 CD ARG A 23 5.326 -1.590 10.123 1.00 22.01 C ATOM 391 NE ARG A 23 4.855 -2.459 11.219 1.00 34.35 N ATOM 392 CZ ARG A 23 3.820 -2.216 11.999 1.00 41.45 C ATOM 393 NH1 ARG A 23 3.118 -1.136 11.875 1.00 22.42 N ATOM 394 NH2 ARG A 23 3.501 -3.061 12.916 1.00 64.54 N ATOM 0 H ARG A 23 5.682 0.101 5.484 1.00 61.42 H new ATOM 0 HA ARG A 23 5.417 -2.659 5.904 1.00 41.35 H new ATOM 0 HB2 ARG A 23 6.449 -1.135 7.556 1.00 54.44 H new ATOM 0 HB3 ARG A 23 4.952 -0.242 7.736 1.00 54.44 H new ATOM 0 HG2 ARG A 23 3.879 -2.328 8.704 1.00 75.34 H new ATOM 0 HG3 ARG A 23 5.435 -3.130 8.617 1.00 75.34 H new ATOM 0 HD2 ARG A 23 6.408 -1.475 10.190 1.00 22.01 H new ATOM 0 HD3 ARG A 23 4.892 -0.596 10.235 1.00 22.01 H new ATOM 0 HE ARG A 23 5.374 -3.321 11.387 1.00 34.35 H new ATOM 0 HH11 ARG A 23 3.361 -0.449 11.161 1.00 22.42 H new ATOM 0 HH12 ARG A 23 2.322 -0.972 12.491 1.00 22.42 H new ATOM 0 HH21 ARG A 23 4.048 -3.914 13.036 1.00 64.54 H new ATOM 0 HH22 ARG A 23 2.701 -2.878 13.522 1.00 64.54 H new ATOM 408 N VAL A 24 2.561 -0.958 6.273 1.00 23.54 N ATOM 409 CA VAL A 24 1.095 -1.076 6.452 1.00 62.00 C ATOM 410 C VAL A 24 0.410 -1.540 5.142 1.00 44.43 C ATOM 411 O VAL A 24 -0.599 -2.253 5.190 1.00 21.13 O ATOM 412 CB VAL A 24 0.457 0.263 6.990 1.00 45.13 C ATOM 413 CG1 VAL A 24 -1.055 0.093 7.304 1.00 11.32 C ATOM 414 CG2 VAL A 24 1.212 0.777 8.243 1.00 63.40 C ATOM 0 H VAL A 24 2.892 0.004 6.201 1.00 23.54 H new ATOM 0 HA VAL A 24 0.921 -1.839 7.211 1.00 62.00 H new ATOM 0 HB VAL A 24 0.554 1.005 6.197 1.00 45.13 H new ATOM 0 HG11 VAL A 24 -1.458 1.036 7.672 1.00 11.32 H new ATOM 0 HG12 VAL A 24 -1.584 -0.199 6.397 1.00 11.32 H new ATOM 0 HG13 VAL A 24 -1.184 -0.678 8.064 1.00 11.32 H new ATOM 0 HG21 VAL A 24 0.751 1.701 8.592 1.00 63.40 H new ATOM 0 HG22 VAL A 24 1.162 0.026 9.031 1.00 63.40 H new ATOM 0 HG23 VAL A 24 2.255 0.966 7.987 1.00 63.40 H new ATOM 424 N ILE A 25 0.977 -1.153 3.974 1.00 41.20 N ATOM 425 CA ILE A 25 0.504 -1.659 2.660 1.00 33.15 C ATOM 426 C ILE A 25 0.657 -3.201 2.581 1.00 11.50 C ATOM 427 O ILE A 25 -0.289 -3.894 2.225 1.00 62.15 O ATOM 428 CB ILE A 25 1.240 -0.977 1.436 1.00 65.50 C ATOM 429 CG1 ILE A 25 0.989 0.567 1.427 1.00 60.45 C ATOM 430 CG2 ILE A 25 0.795 -1.607 0.085 1.00 31.05 C ATOM 431 CD1 ILE A 25 1.708 1.335 0.323 1.00 53.32 C ATOM 0 H ILE A 25 1.756 -0.498 3.913 1.00 41.20 H new ATOM 0 HA ILE A 25 -0.551 -1.393 2.588 1.00 33.15 H new ATOM 0 HB ILE A 25 2.309 -1.154 1.554 1.00 65.50 H new ATOM 0 HG12 ILE A 25 -0.082 0.744 1.333 1.00 60.45 H new ATOM 0 HG13 ILE A 25 1.296 0.975 2.390 1.00 60.45 H new ATOM 0 HG21 ILE A 25 1.319 -1.116 -0.735 1.00 31.05 H new ATOM 0 HG22 ILE A 25 1.034 -2.671 0.083 1.00 31.05 H new ATOM 0 HG23 ILE A 25 -0.280 -1.476 -0.041 1.00 31.05 H new ATOM 0 HD11 ILE A 25 1.470 2.396 0.403 1.00 53.32 H new ATOM 0 HD12 ILE A 25 2.784 1.196 0.425 1.00 53.32 H new ATOM 0 HD13 ILE A 25 1.385 0.963 -0.649 1.00 53.32 H new ATOM 443 N LEU A 26 1.849 -3.717 2.950 1.00 72.42 N ATOM 444 CA LEU A 26 2.130 -5.180 2.981 1.00 60.30 C ATOM 445 C LEU A 26 1.300 -5.917 4.067 1.00 25.11 C ATOM 446 O LEU A 26 0.877 -7.060 3.866 1.00 44.31 O ATOM 447 CB LEU A 26 3.649 -5.433 3.192 1.00 13.33 C ATOM 448 CG LEU A 26 4.579 -4.995 2.014 1.00 43.41 C ATOM 449 CD1 LEU A 26 6.073 -5.161 2.380 1.00 55.32 C ATOM 450 CD2 LEU A 26 4.231 -5.761 0.712 1.00 45.52 C ATOM 0 H LEU A 26 2.642 -3.142 3.234 1.00 72.42 H new ATOM 0 HA LEU A 26 1.829 -5.588 2.016 1.00 60.30 H new ATOM 0 HB2 LEU A 26 3.964 -4.908 4.094 1.00 13.33 H new ATOM 0 HB3 LEU A 26 3.800 -6.497 3.373 1.00 13.33 H new ATOM 0 HG LEU A 26 4.403 -3.935 1.833 1.00 43.41 H new ATOM 0 HD11 LEU A 26 6.691 -4.847 1.539 1.00 55.32 H new ATOM 0 HD12 LEU A 26 6.305 -4.546 3.250 1.00 55.32 H new ATOM 0 HD13 LEU A 26 6.277 -6.207 2.610 1.00 55.32 H new ATOM 0 HD21 LEU A 26 4.894 -5.436 -0.090 1.00 45.52 H new ATOM 0 HD22 LEU A 26 4.357 -6.831 0.875 1.00 45.52 H new ATOM 0 HD23 LEU A 26 3.197 -5.555 0.434 1.00 45.52 H new ATOM 462 N LEU A 27 1.064 -5.238 5.204 1.00 64.32 N ATOM 463 CA LEU A 27 0.247 -5.769 6.326 1.00 24.24 C ATOM 464 C LEU A 27 -1.215 -6.037 5.881 1.00 2.21 C ATOM 465 O LEU A 27 -1.784 -7.107 6.129 1.00 71.53 O ATOM 466 CB LEU A 27 0.284 -4.755 7.506 1.00 14.44 C ATOM 467 CG LEU A 27 -0.520 -5.131 8.792 1.00 74.20 C ATOM 468 CD1 LEU A 27 0.030 -6.415 9.448 1.00 51.35 C ATOM 469 CD2 LEU A 27 -0.547 -3.950 9.793 1.00 23.24 C ATOM 0 H LEU A 27 1.432 -4.303 5.377 1.00 64.32 H new ATOM 0 HA LEU A 27 0.667 -6.722 6.649 1.00 24.24 H new ATOM 0 HB2 LEU A 27 1.325 -4.604 7.790 1.00 14.44 H new ATOM 0 HB3 LEU A 27 -0.089 -3.798 7.142 1.00 14.44 H new ATOM 0 HG LEU A 27 -1.548 -5.337 8.493 1.00 74.20 H new ATOM 0 HD11 LEU A 27 -0.553 -6.647 10.339 1.00 51.35 H new ATOM 0 HD12 LEU A 27 -0.041 -7.243 8.743 1.00 51.35 H new ATOM 0 HD13 LEU A 27 1.073 -6.264 9.726 1.00 51.35 H new ATOM 0 HD21 LEU A 27 -1.113 -4.237 10.679 1.00 23.24 H new ATOM 0 HD22 LEU A 27 0.473 -3.693 10.081 1.00 23.24 H new ATOM 0 HD23 LEU A 27 -1.020 -3.087 9.325 1.00 23.24 H new ATOM 481 N GLU A 28 -1.786 -5.038 5.209 1.00 24.12 N ATOM 482 CA GLU A 28 -3.136 -5.094 4.620 1.00 71.44 C ATOM 483 C GLU A 28 -3.187 -6.002 3.364 1.00 42.30 C ATOM 484 O GLU A 28 -4.201 -6.650 3.099 1.00 4.41 O ATOM 485 CB GLU A 28 -3.569 -3.645 4.270 1.00 51.40 C ATOM 486 CG GLU A 28 -3.984 -2.787 5.478 1.00 73.25 C ATOM 487 CD GLU A 28 -5.397 -3.129 5.986 1.00 72.13 C ATOM 488 OE1 GLU A 28 -6.375 -2.798 5.276 1.00 41.24 O ATOM 489 OE2 GLU A 28 -5.537 -3.717 7.084 1.00 62.34 O ATOM 0 H GLU A 28 -1.318 -4.145 5.052 1.00 24.12 H new ATOM 0 HA GLU A 28 -3.823 -5.533 5.343 1.00 71.44 H new ATOM 0 HB2 GLU A 28 -2.746 -3.149 3.755 1.00 51.40 H new ATOM 0 HB3 GLU A 28 -4.403 -3.689 3.570 1.00 51.40 H new ATOM 0 HG2 GLU A 28 -3.266 -2.931 6.286 1.00 73.25 H new ATOM 0 HG3 GLU A 28 -3.946 -1.733 5.202 1.00 73.25 H new ATOM 496 N CYS A 29 -2.076 -6.044 2.613 1.00 31.23 N ATOM 497 CA CYS A 29 -1.942 -6.870 1.379 1.00 32.30 C ATOM 498 C CYS A 29 -2.001 -8.382 1.680 1.00 41.45 C ATOM 499 O CYS A 29 -2.525 -9.164 0.885 1.00 12.41 O ATOM 500 CB CYS A 29 -0.615 -6.562 0.655 1.00 73.32 C ATOM 501 SG CYS A 29 -0.208 -7.706 -0.685 1.00 55.12 S ATOM 0 H CYS A 29 -1.237 -5.509 2.836 1.00 31.23 H new ATOM 0 HA CYS A 29 -2.786 -6.609 0.741 1.00 32.30 H new ATOM 0 HB2 CYS A 29 -0.663 -5.551 0.250 1.00 73.32 H new ATOM 0 HB3 CYS A 29 0.194 -6.575 1.385 1.00 73.32 H new ATOM 0 HG CYS A 29 -0.707 -7.263 -1.801 1.00 55.12 H new ATOM 507 N GLN A 30 -1.443 -8.784 2.830 1.00 55.33 N ATOM 508 CA GLN A 30 -1.414 -10.203 3.263 1.00 22.21 C ATOM 509 C GLN A 30 -2.655 -10.575 4.113 1.00 50.54 C ATOM 510 O GLN A 30 -2.834 -11.742 4.473 1.00 12.00 O ATOM 511 CB GLN A 30 -0.097 -10.483 4.037 1.00 45.31 C ATOM 512 CG GLN A 30 1.182 -10.245 3.199 1.00 54.33 C ATOM 513 CD GLN A 30 2.500 -10.414 3.968 1.00 55.14 C ATOM 514 OE1 GLN A 30 2.517 -10.096 5.254 1.00 21.14 O flip ATOM 515 NE2 GLN A 30 3.517 -10.807 3.399 1.00 54.51 N flip ATOM 0 H GLN A 30 -0.999 -8.145 3.489 1.00 55.33 H new ATOM 0 HA GLN A 30 -1.446 -10.834 2.374 1.00 22.21 H new ATOM 0 HB2 GLN A 30 -0.064 -9.847 4.922 1.00 45.31 H new ATOM 0 HB3 GLN A 30 -0.104 -11.515 4.387 1.00 45.31 H new ATOM 0 HG2 GLN A 30 1.180 -10.935 2.355 1.00 54.33 H new ATOM 0 HG3 GLN A 30 1.146 -9.237 2.786 1.00 54.33 H new ATOM 0 HE21 GLN A 30 3.486 -11.048 2.408 1.00 54.51 H new ATOM 0 HE22 GLN A 30 4.391 -10.892 3.918 1.00 54.51 H new ATOM 524 N LYS A 31 -3.525 -9.583 4.411 1.00 32.01 N ATOM 525 CA LYS A 31 -4.767 -9.802 5.187 1.00 24.22 C ATOM 526 C LYS A 31 -6.020 -9.571 4.297 1.00 22.41 C ATOM 527 O LYS A 31 -6.687 -10.528 3.888 1.00 61.01 O ATOM 528 CB LYS A 31 -4.784 -8.879 6.441 1.00 71.23 C ATOM 529 CG LYS A 31 -5.928 -9.173 7.441 1.00 44.24 C ATOM 530 CD LYS A 31 -5.857 -10.617 8.005 1.00 54.33 C ATOM 531 CE LYS A 31 -6.984 -10.927 9.000 1.00 11.52 C ATOM 532 NZ LYS A 31 -8.334 -10.820 8.385 1.00 60.20 N ATOM 0 H LYS A 31 -3.387 -8.614 4.122 1.00 32.01 H new ATOM 0 HA LYS A 31 -4.792 -10.838 5.526 1.00 24.22 H new ATOM 0 HB2 LYS A 31 -3.831 -8.976 6.961 1.00 71.23 H new ATOM 0 HB3 LYS A 31 -4.864 -7.843 6.112 1.00 71.23 H new ATOM 0 HG2 LYS A 31 -5.881 -8.460 8.264 1.00 44.24 H new ATOM 0 HG3 LYS A 31 -6.888 -9.025 6.946 1.00 44.24 H new ATOM 0 HD2 LYS A 31 -5.903 -11.327 7.179 1.00 54.33 H new ATOM 0 HD3 LYS A 31 -4.895 -10.762 8.497 1.00 54.33 H new ATOM 0 HE2 LYS A 31 -6.848 -11.933 9.396 1.00 11.52 H new ATOM 0 HE3 LYS A 31 -6.918 -10.241 9.844 1.00 11.52 H new ATOM 0 HZ1 LYS A 31 -9.052 -11.136 9.067 1.00 60.20 H new ATOM 0 HZ2 LYS A 31 -8.518 -9.831 8.122 1.00 60.20 H new ATOM 0 HZ3 LYS A 31 -8.377 -11.418 7.535 1.00 60.20 H new ATOM 546 N ARG A 32 -6.313 -8.290 3.981 1.00 11.55 N ATOM 547 CA ARG A 32 -7.476 -7.903 3.135 1.00 30.44 C ATOM 548 C ARG A 32 -7.184 -8.061 1.618 1.00 0.21 C ATOM 549 O ARG A 32 -8.101 -7.962 0.790 1.00 13.11 O ATOM 550 CB ARG A 32 -7.910 -6.449 3.467 1.00 31.00 C ATOM 551 CG ARG A 32 -8.451 -6.269 4.903 1.00 42.03 C ATOM 552 CD ARG A 32 -8.998 -4.856 5.166 1.00 34.14 C ATOM 553 NE ARG A 32 -9.662 -4.766 6.485 1.00 10.21 N ATOM 554 CZ ARG A 32 -9.444 -3.843 7.399 1.00 11.34 C ATOM 555 NH1 ARG A 32 -8.506 -2.963 7.270 1.00 54.34 N ATOM 556 NH2 ARG A 32 -10.168 -3.833 8.467 1.00 64.41 N ATOM 0 H ARG A 32 -5.757 -7.496 4.300 1.00 11.55 H new ATOM 0 HA ARG A 32 -8.294 -8.585 3.367 1.00 30.44 H new ATOM 0 HB2 ARG A 32 -7.058 -5.785 3.324 1.00 31.00 H new ATOM 0 HB3 ARG A 32 -8.678 -6.139 2.758 1.00 31.00 H new ATOM 0 HG2 ARG A 32 -9.242 -6.998 5.082 1.00 42.03 H new ATOM 0 HG3 ARG A 32 -7.654 -6.483 5.615 1.00 42.03 H new ATOM 0 HD2 ARG A 32 -8.182 -4.135 5.119 1.00 34.14 H new ATOM 0 HD3 ARG A 32 -9.706 -4.588 4.382 1.00 34.14 H new ATOM 0 HE ARG A 32 -10.351 -5.484 6.707 1.00 10.21 H new ATOM 0 HH11 ARG A 32 -7.910 -2.971 6.443 1.00 54.34 H new ATOM 0 HH12 ARG A 32 -8.362 -2.261 7.996 1.00 54.34 H new ATOM 0 HH21 ARG A 32 -10.898 -4.534 8.595 1.00 64.41 H new ATOM 0 HH22 ARG A 32 -10.010 -3.124 9.183 1.00 64.41 H new ATOM 570 N GLY A 33 -5.906 -8.296 1.271 1.00 52.21 N ATOM 571 CA GLY A 33 -5.497 -8.597 -0.112 1.00 44.53 C ATOM 572 C GLY A 33 -5.316 -7.361 -1.010 1.00 25.11 C ATOM 573 O GLY A 33 -5.231 -6.236 -0.512 1.00 12.50 O ATOM 0 H GLY A 33 -5.133 -8.283 1.936 1.00 52.21 H new ATOM 0 HA2 GLY A 33 -4.559 -9.152 -0.087 1.00 44.53 H new ATOM 0 HA3 GLY A 33 -6.243 -9.251 -0.563 1.00 44.53 H new ATOM 577 N PRO A 34 -5.242 -7.551 -2.369 1.00 14.33 N ATOM 578 CA PRO A 34 -5.138 -6.431 -3.356 1.00 40.13 C ATOM 579 C PRO A 34 -6.511 -5.783 -3.710 1.00 33.54 C ATOM 580 O PRO A 34 -6.727 -5.352 -4.852 1.00 52.15 O ATOM 581 CB PRO A 34 -4.524 -7.153 -4.579 1.00 15.24 C ATOM 582 CG PRO A 34 -5.116 -8.527 -4.530 1.00 41.14 C ATOM 583 CD PRO A 34 -5.208 -8.881 -3.055 1.00 60.23 C ATOM 0 HA PRO A 34 -4.556 -5.590 -2.979 1.00 40.13 H new ATOM 0 HB2 PRO A 34 -4.775 -6.644 -5.509 1.00 15.24 H new ATOM 0 HB3 PRO A 34 -3.436 -7.186 -4.517 1.00 15.24 H new ATOM 0 HG2 PRO A 34 -6.099 -8.547 -5.000 1.00 41.14 H new ATOM 0 HG3 PRO A 34 -4.492 -9.242 -5.066 1.00 41.14 H new ATOM 0 HD2 PRO A 34 -6.102 -9.465 -2.839 1.00 60.23 H new ATOM 0 HD3 PRO A 34 -4.353 -9.476 -2.732 1.00 60.23 H new ATOM 591 N SER A 35 -7.415 -5.691 -2.720 1.00 65.15 N ATOM 592 CA SER A 35 -8.780 -5.146 -2.916 1.00 24.04 C ATOM 593 C SER A 35 -8.784 -3.599 -3.014 1.00 24.30 C ATOM 594 O SER A 35 -7.914 -2.928 -2.451 1.00 30.45 O ATOM 595 CB SER A 35 -9.706 -5.590 -1.752 1.00 4.44 C ATOM 596 OG SER A 35 -9.835 -7.004 -1.688 1.00 23.34 O ATOM 0 H SER A 35 -7.227 -5.990 -1.763 1.00 65.15 H new ATOM 0 HA SER A 35 -9.151 -5.543 -3.861 1.00 24.04 H new ATOM 0 HB2 SER A 35 -9.306 -5.219 -0.808 1.00 4.44 H new ATOM 0 HB3 SER A 35 -10.691 -5.141 -1.880 1.00 4.44 H new ATOM 0 HG SER A 35 -9.299 -7.348 -0.943 1.00 23.34 H new ATOM 602 N SER A 36 -9.784 -3.044 -3.726 1.00 73.40 N ATOM 603 CA SER A 36 -10.074 -1.584 -3.725 1.00 11.10 C ATOM 604 C SER A 36 -10.497 -1.118 -2.313 1.00 32.11 C ATOM 605 O SER A 36 -10.267 0.032 -1.933 1.00 71.44 O ATOM 606 CB SER A 36 -11.186 -1.251 -4.745 1.00 60.45 C ATOM 607 OG SER A 36 -12.402 -1.912 -4.417 1.00 13.51 O ATOM 0 H SER A 36 -10.414 -3.586 -4.317 1.00 73.40 H new ATOM 0 HA SER A 36 -9.165 -1.056 -4.013 1.00 11.10 H new ATOM 0 HB2 SER A 36 -11.350 -0.174 -4.769 1.00 60.45 H new ATOM 0 HB3 SER A 36 -10.867 -1.547 -5.744 1.00 60.45 H new ATOM 0 HG SER A 36 -13.088 -1.682 -5.078 1.00 13.51 H new ATOM 613 N LYS A 37 -11.130 -2.048 -1.560 1.00 21.30 N ATOM 614 CA LYS A 37 -11.444 -1.888 -0.115 1.00 42.12 C ATOM 615 C LYS A 37 -10.164 -1.569 0.699 1.00 3.14 C ATOM 616 O LYS A 37 -10.166 -0.722 1.602 1.00 63.20 O ATOM 617 CB LYS A 37 -12.059 -3.208 0.444 1.00 20.41 C ATOM 618 CG LYS A 37 -13.267 -3.767 -0.345 1.00 24.04 C ATOM 619 CD LYS A 37 -13.691 -5.170 0.159 1.00 63.14 C ATOM 620 CE LYS A 37 -14.842 -5.784 -0.657 1.00 44.13 C ATOM 621 NZ LYS A 37 -15.170 -7.165 -0.213 1.00 32.34 N ATOM 0 H LYS A 37 -11.442 -2.942 -1.940 1.00 21.30 H new ATOM 0 HA LYS A 37 -12.151 -1.064 -0.018 1.00 42.12 H new ATOM 0 HB2 LYS A 37 -11.280 -3.970 0.468 1.00 20.41 H new ATOM 0 HB3 LYS A 37 -12.369 -3.036 1.475 1.00 20.41 H new ATOM 0 HG2 LYS A 37 -14.108 -3.080 -0.255 1.00 24.04 H new ATOM 0 HG3 LYS A 37 -13.014 -3.823 -1.404 1.00 24.04 H new ATOM 0 HD2 LYS A 37 -12.831 -5.838 0.121 1.00 63.14 H new ATOM 0 HD3 LYS A 37 -13.993 -5.098 1.204 1.00 63.14 H new ATOM 0 HE2 LYS A 37 -15.727 -5.154 -0.565 1.00 44.13 H new ATOM 0 HE3 LYS A 37 -14.570 -5.798 -1.712 1.00 44.13 H new ATOM 0 HZ1 LYS A 37 -15.950 -7.539 -0.790 1.00 32.34 H new ATOM 0 HZ2 LYS A 37 -14.334 -7.773 -0.325 1.00 32.34 H new ATOM 0 HZ3 LYS A 37 -15.455 -7.150 0.787 1.00 32.34 H new ATOM 635 N THR A 38 -9.071 -2.254 0.323 1.00 51.52 N ATOM 636 CA THR A 38 -7.779 -2.206 1.026 1.00 41.42 C ATOM 637 C THR A 38 -7.068 -0.880 0.700 1.00 25.14 C ATOM 638 O THR A 38 -6.591 -0.171 1.589 1.00 50.35 O ATOM 639 CB THR A 38 -6.874 -3.405 0.578 1.00 12.40 C ATOM 640 OG1 THR A 38 -7.577 -4.648 0.733 1.00 24.43 O ATOM 641 CG2 THR A 38 -5.555 -3.471 1.353 1.00 11.02 C ATOM 0 H THR A 38 -9.061 -2.867 -0.492 1.00 51.52 H new ATOM 0 HA THR A 38 -7.956 -2.276 2.099 1.00 41.42 H new ATOM 0 HB THR A 38 -6.634 -3.237 -0.472 1.00 12.40 H new ATOM 0 HG1 THR A 38 -7.030 -5.380 0.377 1.00 24.43 H new ATOM 0 HG21 THR A 38 -4.969 -4.320 1.002 1.00 11.02 H new ATOM 0 HG22 THR A 38 -4.993 -2.551 1.194 1.00 11.02 H new ATOM 0 HG23 THR A 38 -5.763 -3.589 2.416 1.00 11.02 H new ATOM 649 N PHE A 39 -7.045 -0.558 -0.607 1.00 74.52 N ATOM 650 CA PHE A 39 -6.451 0.683 -1.145 1.00 22.34 C ATOM 651 C PHE A 39 -7.191 1.949 -0.640 1.00 42.31 C ATOM 652 O PHE A 39 -6.586 3.015 -0.499 1.00 23.41 O ATOM 653 CB PHE A 39 -6.464 0.632 -2.698 1.00 65.50 C ATOM 654 CG PHE A 39 -5.701 -0.547 -3.317 1.00 3.31 C ATOM 655 CD1 PHE A 39 -4.524 -1.037 -2.744 1.00 63.22 C ATOM 656 CD2 PHE A 39 -6.163 -1.164 -4.485 1.00 41.21 C ATOM 657 CE1 PHE A 39 -3.842 -2.096 -3.310 1.00 54.32 C ATOM 658 CE2 PHE A 39 -5.478 -2.224 -5.050 1.00 31.43 C ATOM 659 CZ PHE A 39 -4.320 -2.691 -4.462 1.00 14.03 C ATOM 0 H PHE A 39 -7.443 -1.159 -1.329 1.00 74.52 H new ATOM 0 HA PHE A 39 -5.424 0.749 -0.787 1.00 22.34 H new ATOM 0 HB2 PHE A 39 -7.499 0.592 -3.036 1.00 65.50 H new ATOM 0 HB3 PHE A 39 -6.039 1.560 -3.080 1.00 65.50 H new ATOM 0 HD1 PHE A 39 -4.142 -0.580 -1.843 1.00 63.22 H new ATOM 0 HD2 PHE A 39 -7.069 -0.807 -4.952 1.00 41.21 H new ATOM 0 HE1 PHE A 39 -2.934 -2.460 -2.852 1.00 54.32 H new ATOM 0 HE2 PHE A 39 -5.850 -2.687 -5.952 1.00 31.43 H new ATOM 0 HZ PHE A 39 -3.788 -3.521 -4.902 1.00 14.03 H new ATOM 669 N ALA A 40 -8.507 1.808 -0.380 1.00 1.30 N ATOM 670 CA ALA A 40 -9.346 2.887 0.190 1.00 12.02 C ATOM 671 C ALA A 40 -8.959 3.185 1.661 1.00 71.24 C ATOM 672 O ALA A 40 -8.871 4.352 2.066 1.00 33.25 O ATOM 673 CB ALA A 40 -10.832 2.513 0.090 1.00 53.45 C ATOM 0 H ALA A 40 -9.019 0.944 -0.558 1.00 1.30 H new ATOM 0 HA ALA A 40 -9.170 3.793 -0.390 1.00 12.02 H new ATOM 0 HB1 ALA A 40 -11.438 3.314 0.512 1.00 53.45 H new ATOM 0 HB2 ALA A 40 -11.101 2.368 -0.956 1.00 53.45 H new ATOM 0 HB3 ALA A 40 -11.013 1.591 0.643 1.00 53.45 H new ATOM 679 N TYR A 41 -8.723 2.113 2.448 1.00 55.11 N ATOM 680 CA TYR A 41 -8.237 2.233 3.845 1.00 52.31 C ATOM 681 C TYR A 41 -6.856 2.931 3.881 1.00 22.12 C ATOM 682 O TYR A 41 -6.689 3.956 4.536 1.00 3.00 O ATOM 683 CB TYR A 41 -8.146 0.833 4.520 1.00 62.43 C ATOM 684 CG TYR A 41 -7.521 0.860 5.934 1.00 22.42 C ATOM 685 CD1 TYR A 41 -8.209 1.419 7.017 1.00 21.42 C ATOM 686 CD2 TYR A 41 -6.243 0.345 6.173 1.00 51.32 C ATOM 687 CE1 TYR A 41 -7.643 1.462 8.276 1.00 25.42 C ATOM 688 CE2 TYR A 41 -5.678 0.382 7.430 1.00 12.24 C ATOM 689 CZ TYR A 41 -6.383 0.942 8.479 1.00 11.31 C ATOM 690 OH TYR A 41 -5.822 0.987 9.739 1.00 33.20 O ATOM 0 H TYR A 41 -8.861 1.150 2.140 1.00 55.11 H new ATOM 0 HA TYR A 41 -8.952 2.840 4.401 1.00 52.31 H new ATOM 0 HB2 TYR A 41 -9.147 0.405 4.584 1.00 62.43 H new ATOM 0 HB3 TYR A 41 -7.556 0.172 3.885 1.00 62.43 H new ATOM 0 HD1 TYR A 41 -9.199 1.823 6.866 1.00 21.42 H new ATOM 0 HD2 TYR A 41 -5.687 -0.091 5.356 1.00 51.32 H new ATOM 0 HE1 TYR A 41 -8.186 1.902 9.099 1.00 25.42 H new ATOM 0 HE2 TYR A 41 -4.691 -0.024 7.594 1.00 12.24 H new ATOM 0 HH TYR A 41 -4.931 0.579 9.715 1.00 33.20 H new ATOM 700 N LEU A 42 -5.902 2.355 3.133 1.00 4.25 N ATOM 701 CA LEU A 42 -4.500 2.830 3.049 1.00 30.13 C ATOM 702 C LEU A 42 -4.378 4.268 2.486 1.00 30.13 C ATOM 703 O LEU A 42 -3.398 4.964 2.767 1.00 23.22 O ATOM 704 CB LEU A 42 -3.698 1.829 2.185 1.00 23.44 C ATOM 705 CG LEU A 42 -3.522 0.404 2.800 1.00 4.02 C ATOM 706 CD1 LEU A 42 -3.018 -0.620 1.752 1.00 24.33 C ATOM 707 CD2 LEU A 42 -2.585 0.459 4.023 1.00 60.43 C ATOM 0 H LEU A 42 -6.080 1.532 2.558 1.00 4.25 H new ATOM 0 HA LEU A 42 -4.093 2.876 4.059 1.00 30.13 H new ATOM 0 HB2 LEU A 42 -4.193 1.731 1.219 1.00 23.44 H new ATOM 0 HB3 LEU A 42 -2.710 2.249 1.995 1.00 23.44 H new ATOM 0 HG LEU A 42 -4.502 0.061 3.131 1.00 4.02 H new ATOM 0 HD11 LEU A 42 -2.909 -1.598 2.222 1.00 24.33 H new ATOM 0 HD12 LEU A 42 -3.736 -0.688 0.935 1.00 24.33 H new ATOM 0 HD13 LEU A 42 -2.053 -0.296 1.361 1.00 24.33 H new ATOM 0 HD21 LEU A 42 -2.472 -0.542 4.440 1.00 60.43 H new ATOM 0 HD22 LEU A 42 -1.609 0.837 3.717 1.00 60.43 H new ATOM 0 HD23 LEU A 42 -3.010 1.121 4.777 1.00 60.43 H new ATOM 719 N ALA A 43 -5.368 4.696 1.682 1.00 1.11 N ATOM 720 CA ALA A 43 -5.462 6.089 1.193 1.00 1.13 C ATOM 721 C ALA A 43 -5.663 7.082 2.364 1.00 21.03 C ATOM 722 O ALA A 43 -4.865 8.000 2.566 1.00 55.02 O ATOM 723 CB ALA A 43 -6.606 6.216 0.176 1.00 41.52 C ATOM 0 H ALA A 43 -6.122 4.093 1.353 1.00 1.11 H new ATOM 0 HA ALA A 43 -4.523 6.341 0.701 1.00 1.13 H new ATOM 0 HB1 ALA A 43 -6.666 7.245 -0.177 1.00 41.52 H new ATOM 0 HB2 ALA A 43 -6.417 5.553 -0.668 1.00 41.52 H new ATOM 0 HB3 ALA A 43 -7.547 5.940 0.651 1.00 41.52 H new ATOM 729 N ALA A 44 -6.721 6.850 3.158 1.00 40.30 N ATOM 730 CA ALA A 44 -7.070 7.718 4.308 1.00 53.34 C ATOM 731 C ALA A 44 -6.071 7.559 5.489 1.00 62.41 C ATOM 732 O ALA A 44 -5.822 8.509 6.240 1.00 1.41 O ATOM 733 CB ALA A 44 -8.503 7.407 4.773 1.00 21.12 C ATOM 0 H ALA A 44 -7.357 6.064 3.027 1.00 40.30 H new ATOM 0 HA ALA A 44 -7.008 8.754 3.975 1.00 53.34 H new ATOM 0 HB1 ALA A 44 -8.758 8.046 5.618 1.00 21.12 H new ATOM 0 HB2 ALA A 44 -9.199 7.592 3.955 1.00 21.12 H new ATOM 0 HB3 ALA A 44 -8.569 6.362 5.075 1.00 21.12 H new ATOM 739 N LYS A 45 -5.503 6.346 5.622 1.00 75.12 N ATOM 740 CA LYS A 45 -4.589 5.977 6.726 1.00 31.31 C ATOM 741 C LYS A 45 -3.203 6.635 6.530 1.00 70.14 C ATOM 742 O LYS A 45 -2.692 7.319 7.424 1.00 41.34 O ATOM 743 CB LYS A 45 -4.483 4.410 6.808 1.00 1.15 C ATOM 744 CG LYS A 45 -3.801 3.819 8.079 1.00 30.45 C ATOM 745 CD LYS A 45 -2.252 3.843 8.040 1.00 41.12 C ATOM 746 CE LYS A 45 -1.602 3.378 9.352 1.00 60.23 C ATOM 747 NZ LYS A 45 -1.961 4.259 10.492 1.00 34.30 N ATOM 0 H LYS A 45 -5.665 5.586 4.962 1.00 75.12 H new ATOM 0 HA LYS A 45 -4.987 6.347 7.671 1.00 31.31 H new ATOM 0 HB2 LYS A 45 -5.489 3.997 6.739 1.00 1.15 H new ATOM 0 HB3 LYS A 45 -3.934 4.060 5.934 1.00 1.15 H new ATOM 0 HG2 LYS A 45 -4.140 4.377 8.952 1.00 30.45 H new ATOM 0 HG3 LYS A 45 -4.134 2.789 8.210 1.00 30.45 H new ATOM 0 HD2 LYS A 45 -1.906 3.206 7.226 1.00 41.12 H new ATOM 0 HD3 LYS A 45 -1.917 4.856 7.816 1.00 41.12 H new ATOM 0 HE2 LYS A 45 -1.915 2.357 9.570 1.00 60.23 H new ATOM 0 HE3 LYS A 45 -0.519 3.361 9.234 1.00 60.23 H new ATOM 0 HZ1 LYS A 45 -1.363 4.028 11.311 1.00 34.30 H new ATOM 0 HZ2 LYS A 45 -1.812 5.253 10.223 1.00 34.30 H new ATOM 0 HZ3 LYS A 45 -2.960 4.114 10.741 1.00 34.30 H new ATOM 761 N LEU A 46 -2.606 6.414 5.347 1.00 71.53 N ATOM 762 CA LEU A 46 -1.236 6.890 5.024 1.00 12.04 C ATOM 763 C LEU A 46 -1.222 8.337 4.466 1.00 50.20 C ATOM 764 O LEU A 46 -0.150 8.838 4.094 1.00 21.11 O ATOM 765 CB LEU A 46 -0.588 5.918 4.007 1.00 30.01 C ATOM 766 CG LEU A 46 -0.436 4.432 4.465 1.00 50.44 C ATOM 767 CD1 LEU A 46 0.119 3.560 3.324 1.00 22.01 C ATOM 768 CD2 LEU A 46 0.447 4.324 5.733 1.00 1.40 C ATOM 0 H LEU A 46 -3.052 5.903 4.585 1.00 71.53 H new ATOM 0 HA LEU A 46 -0.662 6.907 5.951 1.00 12.04 H new ATOM 0 HB2 LEU A 46 -1.182 5.935 3.093 1.00 30.01 H new ATOM 0 HB3 LEU A 46 0.401 6.300 3.752 1.00 30.01 H new ATOM 0 HG LEU A 46 -1.427 4.057 4.721 1.00 50.44 H new ATOM 0 HD11 LEU A 46 0.216 2.530 3.667 1.00 22.01 H new ATOM 0 HD12 LEU A 46 -0.562 3.597 2.474 1.00 22.01 H new ATOM 0 HD13 LEU A 46 1.097 3.935 3.022 1.00 22.01 H new ATOM 0 HD21 LEU A 46 0.534 3.278 6.028 1.00 1.40 H new ATOM 0 HD22 LEU A 46 1.438 4.725 5.521 1.00 1.40 H new ATOM 0 HD23 LEU A 46 -0.009 4.892 6.544 1.00 1.40 H new ATOM 780 N ASP A 47 -2.413 8.990 4.406 1.00 14.33 N ATOM 781 CA ASP A 47 -2.601 10.343 3.808 1.00 14.13 C ATOM 782 C ASP A 47 -2.204 10.338 2.297 1.00 25.34 C ATOM 783 O ASP A 47 -1.689 11.318 1.744 1.00 31.41 O ATOM 784 CB ASP A 47 -1.835 11.416 4.646 1.00 61.34 C ATOM 785 CG ASP A 47 -2.134 12.875 4.241 1.00 44.03 C ATOM 786 OD1 ASP A 47 -3.311 13.292 4.325 1.00 52.41 O ATOM 787 OD2 ASP A 47 -1.198 13.611 3.851 1.00 4.34 O ATOM 0 H ASP A 47 -3.277 8.591 4.773 1.00 14.33 H new ATOM 0 HA ASP A 47 -3.656 10.614 3.844 1.00 14.13 H new ATOM 0 HB2 ASP A 47 -2.087 11.285 5.698 1.00 61.34 H new ATOM 0 HB3 ASP A 47 -0.764 11.237 4.550 1.00 61.34 H new ATOM 792 N LYS A 48 -2.470 9.197 1.645 1.00 1.41 N ATOM 793 CA LYS A 48 -2.188 8.981 0.211 1.00 64.12 C ATOM 794 C LYS A 48 -3.490 8.978 -0.623 1.00 10.23 C ATOM 795 O LYS A 48 -4.586 9.211 -0.109 1.00 44.03 O ATOM 796 CB LYS A 48 -1.430 7.636 0.018 1.00 0.22 C ATOM 797 CG LYS A 48 -0.090 7.531 0.772 1.00 32.52 C ATOM 798 CD LYS A 48 0.917 8.639 0.384 1.00 32.33 C ATOM 799 CE LYS A 48 2.273 8.471 1.084 1.00 41.24 C ATOM 800 NZ LYS A 48 2.171 8.499 2.566 1.00 30.30 N ATOM 0 H LYS A 48 -2.891 8.387 2.100 1.00 1.41 H new ATOM 0 HA LYS A 48 -1.565 9.803 -0.140 1.00 64.12 H new ATOM 0 HB2 LYS A 48 -2.077 6.821 0.343 1.00 0.22 H new ATOM 0 HB3 LYS A 48 -1.244 7.490 -1.046 1.00 0.22 H new ATOM 0 HG2 LYS A 48 -0.279 7.581 1.844 1.00 32.52 H new ATOM 0 HG3 LYS A 48 0.357 6.557 0.572 1.00 32.52 H new ATOM 0 HD2 LYS A 48 1.065 8.629 -0.696 1.00 32.33 H new ATOM 0 HD3 LYS A 48 0.498 9.612 0.639 1.00 32.33 H new ATOM 0 HE2 LYS A 48 2.721 7.527 0.774 1.00 41.24 H new ATOM 0 HE3 LYS A 48 2.945 9.265 0.757 1.00 41.24 H new ATOM 0 HZ1 LYS A 48 2.889 9.145 2.951 1.00 30.30 H new ATOM 0 HZ2 LYS A 48 1.224 8.829 2.843 1.00 30.30 H new ATOM 0 HZ3 LYS A 48 2.328 7.542 2.943 1.00 30.30 H new ATOM 814 N ASN A 49 -3.340 8.744 -1.933 1.00 53.22 N ATOM 815 CA ASN A 49 -4.472 8.542 -2.864 1.00 30.15 C ATOM 816 C ASN A 49 -4.565 7.032 -3.221 1.00 44.52 C ATOM 817 O ASN A 49 -3.526 6.371 -3.254 1.00 72.32 O ATOM 818 CB ASN A 49 -4.268 9.385 -4.155 1.00 50.43 C ATOM 819 CG ASN A 49 -4.212 10.909 -3.952 1.00 35.23 C ATOM 820 OD1 ASN A 49 -3.506 11.386 -2.941 1.00 12.32 O flip ATOM 821 ND2 ASN A 49 -4.745 11.665 -4.755 1.00 2.12 N flip ATOM 0 H ASN A 49 -2.427 8.688 -2.385 1.00 53.22 H new ATOM 0 HA ASN A 49 -5.397 8.866 -2.388 1.00 30.15 H new ATOM 0 HB2 ASN A 49 -3.342 9.066 -4.633 1.00 50.43 H new ATOM 0 HB3 ASN A 49 -5.079 9.158 -4.847 1.00 50.43 H new ATOM 0 HD21 ASN A 49 -5.287 11.285 -5.531 1.00 2.12 H new ATOM 0 HD22 ASN A 49 -4.647 12.675 -4.648 1.00 2.12 H new ATOM 828 N PRO A 50 -5.795 6.456 -3.489 1.00 34.11 N ATOM 829 CA PRO A 50 -5.950 5.014 -3.864 1.00 74.43 C ATOM 830 C PRO A 50 -5.067 4.565 -5.067 1.00 24.23 C ATOM 831 O PRO A 50 -4.571 3.433 -5.090 1.00 52.45 O ATOM 832 CB PRO A 50 -7.461 4.895 -4.193 1.00 3.40 C ATOM 833 CG PRO A 50 -8.104 5.986 -3.393 1.00 52.05 C ATOM 834 CD PRO A 50 -7.118 7.135 -3.408 1.00 70.23 C ATOM 0 HA PRO A 50 -5.617 4.359 -3.059 1.00 74.43 H new ATOM 0 HB2 PRO A 50 -7.647 5.022 -5.260 1.00 3.40 H new ATOM 0 HB3 PRO A 50 -7.852 3.916 -3.916 1.00 3.40 H new ATOM 0 HG2 PRO A 50 -9.058 6.282 -3.829 1.00 52.05 H new ATOM 0 HG3 PRO A 50 -8.308 5.657 -2.374 1.00 52.05 H new ATOM 0 HD2 PRO A 50 -7.283 7.795 -4.260 1.00 70.23 H new ATOM 0 HD3 PRO A 50 -7.201 7.747 -2.510 1.00 70.23 H new ATOM 842 N ASN A 51 -4.861 5.472 -6.053 1.00 43.23 N ATOM 843 CA ASN A 51 -3.951 5.216 -7.202 1.00 45.31 C ATOM 844 C ASN A 51 -2.468 5.152 -6.743 1.00 32.32 C ATOM 845 O ASN A 51 -1.739 4.243 -7.142 1.00 63.10 O ATOM 846 CB ASN A 51 -4.129 6.279 -8.314 1.00 43.33 C ATOM 847 CG ASN A 51 -5.515 6.230 -8.967 1.00 72.22 C ATOM 848 OD1 ASN A 51 -6.424 6.956 -8.595 1.00 64.22 O ATOM 849 ND2 ASN A 51 -5.699 5.354 -9.932 1.00 52.41 N ATOM 0 H ASN A 51 -5.311 6.387 -6.078 1.00 43.23 H new ATOM 0 HA ASN A 51 -4.222 4.245 -7.617 1.00 45.31 H new ATOM 0 HB2 ASN A 51 -3.966 7.271 -7.892 1.00 43.33 H new ATOM 0 HB3 ASN A 51 -3.367 6.129 -9.079 1.00 43.33 H new ATOM 0 HD21 ASN A 51 -6.611 5.274 -10.381 1.00 52.41 H new ATOM 0 HD22 ASN A 51 -4.929 4.755 -10.231 1.00 52.41 H new ATOM 856 N GLN A 52 -2.049 6.107 -5.879 1.00 54.22 N ATOM 857 CA GLN A 52 -0.677 6.126 -5.289 1.00 32.52 C ATOM 858 C GLN A 52 -0.375 4.814 -4.515 1.00 22.21 C ATOM 859 O GLN A 52 0.701 4.220 -4.664 1.00 23.20 O ATOM 860 CB GLN A 52 -0.501 7.337 -4.324 1.00 21.03 C ATOM 861 CG GLN A 52 -0.666 8.726 -4.977 1.00 52.53 C ATOM 862 CD GLN A 52 -0.478 9.896 -3.995 1.00 44.30 C ATOM 863 OE1 GLN A 52 -0.752 9.776 -2.809 1.00 24.32 O ATOM 864 NE2 GLN A 52 -0.023 11.035 -4.480 1.00 21.03 N ATOM 0 H GLN A 52 -2.639 6.879 -5.571 1.00 54.22 H new ATOM 0 HA GLN A 52 0.024 6.218 -6.118 1.00 32.52 H new ATOM 0 HB2 GLN A 52 -1.226 7.245 -3.515 1.00 21.03 H new ATOM 0 HB3 GLN A 52 0.490 7.281 -3.873 1.00 21.03 H new ATOM 0 HG2 GLN A 52 0.055 8.824 -5.788 1.00 52.53 H new ATOM 0 HG3 GLN A 52 -1.658 8.793 -5.423 1.00 52.53 H new ATOM 0 HE21 GLN A 52 0.200 11.114 -5.472 1.00 21.03 H new ATOM 0 HE22 GLN A 52 0.106 11.837 -3.863 1.00 21.03 H new ATOM 873 N VAL A 53 -1.355 4.383 -3.697 1.00 54.04 N ATOM 874 CA VAL A 53 -1.258 3.160 -2.875 1.00 25.21 C ATOM 875 C VAL A 53 -1.142 1.890 -3.753 1.00 43.13 C ATOM 876 O VAL A 53 -0.247 1.073 -3.541 1.00 71.12 O ATOM 877 CB VAL A 53 -2.505 3.012 -1.921 1.00 41.12 C ATOM 878 CG1 VAL A 53 -2.469 1.673 -1.145 1.00 63.41 C ATOM 879 CG2 VAL A 53 -2.609 4.209 -0.943 1.00 11.44 C ATOM 0 H VAL A 53 -2.241 4.876 -3.587 1.00 54.04 H new ATOM 0 HA VAL A 53 -0.354 3.259 -2.275 1.00 25.21 H new ATOM 0 HB VAL A 53 -3.395 3.010 -2.550 1.00 41.12 H new ATOM 0 HG11 VAL A 53 -3.343 1.604 -0.497 1.00 63.41 H new ATOM 0 HG12 VAL A 53 -2.475 0.843 -1.851 1.00 63.41 H new ATOM 0 HG13 VAL A 53 -1.564 1.628 -0.539 1.00 63.41 H new ATOM 0 HG21 VAL A 53 -3.478 4.078 -0.299 1.00 11.44 H new ATOM 0 HG22 VAL A 53 -1.708 4.258 -0.331 1.00 11.44 H new ATOM 0 HG23 VAL A 53 -2.714 5.134 -1.510 1.00 11.44 H new ATOM 889 N SER A 54 -2.061 1.747 -4.730 1.00 52.21 N ATOM 890 CA SER A 54 -2.137 0.547 -5.608 1.00 11.33 C ATOM 891 C SER A 54 -0.845 0.341 -6.428 1.00 35.42 C ATOM 892 O SER A 54 -0.346 -0.776 -6.533 1.00 44.41 O ATOM 893 CB SER A 54 -3.353 0.638 -6.559 1.00 45.32 C ATOM 894 OG SER A 54 -3.251 1.749 -7.439 1.00 54.13 O ATOM 0 H SER A 54 -2.769 2.451 -4.937 1.00 52.21 H new ATOM 0 HA SER A 54 -2.257 -0.315 -4.952 1.00 11.33 H new ATOM 0 HB2 SER A 54 -3.430 -0.281 -7.140 1.00 45.32 H new ATOM 0 HB3 SER A 54 -4.268 0.721 -5.973 1.00 45.32 H new ATOM 0 HG SER A 54 -2.716 2.453 -7.016 1.00 54.13 H new ATOM 900 N GLU A 55 -0.306 1.438 -6.989 1.00 4.02 N ATOM 901 CA GLU A 55 0.950 1.412 -7.777 1.00 63.34 C ATOM 902 C GLU A 55 2.178 1.071 -6.895 1.00 64.31 C ATOM 903 O GLU A 55 3.005 0.242 -7.279 1.00 52.12 O ATOM 904 CB GLU A 55 1.138 2.765 -8.517 1.00 71.44 C ATOM 905 CG GLU A 55 0.042 3.047 -9.571 1.00 64.03 C ATOM 906 CD GLU A 55 0.200 4.394 -10.293 1.00 53.24 C ATOM 907 OE1 GLU A 55 1.028 4.485 -11.230 1.00 24.15 O ATOM 908 OE2 GLU A 55 -0.510 5.365 -9.942 1.00 33.52 O ATOM 0 H GLU A 55 -0.723 2.366 -6.912 1.00 4.02 H new ATOM 0 HA GLU A 55 0.871 0.617 -8.519 1.00 63.34 H new ATOM 0 HB2 GLU A 55 1.144 3.573 -7.785 1.00 71.44 H new ATOM 0 HB3 GLU A 55 2.112 2.771 -9.006 1.00 71.44 H new ATOM 0 HG2 GLU A 55 0.050 2.247 -10.311 1.00 64.03 H new ATOM 0 HG3 GLU A 55 -0.932 3.020 -9.083 1.00 64.03 H new ATOM 915 N ARG A 56 2.257 1.686 -5.694 1.00 54.23 N ATOM 916 CA ARG A 56 3.346 1.420 -4.713 1.00 32.41 C ATOM 917 C ARG A 56 3.324 -0.053 -4.229 1.00 2.51 C ATOM 918 O ARG A 56 4.372 -0.677 -4.056 1.00 61.54 O ATOM 919 CB ARG A 56 3.215 2.369 -3.497 1.00 74.23 C ATOM 920 CG ARG A 56 4.359 2.255 -2.464 1.00 65.24 C ATOM 921 CD ARG A 56 5.726 2.698 -3.030 1.00 23.51 C ATOM 922 NE ARG A 56 6.773 2.624 -2.003 1.00 25.33 N ATOM 923 CZ ARG A 56 7.963 3.183 -2.059 1.00 32.34 C ATOM 924 NH1 ARG A 56 8.341 3.892 -3.078 1.00 65.24 N ATOM 925 NH2 ARG A 56 8.766 3.030 -1.066 1.00 60.11 N ATOM 0 H ARG A 56 1.577 2.376 -5.374 1.00 54.23 H new ATOM 0 HA ARG A 56 4.296 1.601 -5.216 1.00 32.41 H new ATOM 0 HB2 ARG A 56 3.171 3.396 -3.858 1.00 74.23 H new ATOM 0 HB3 ARG A 56 2.269 2.166 -2.995 1.00 74.23 H new ATOM 0 HG2 ARG A 56 4.117 2.864 -1.593 1.00 65.24 H new ATOM 0 HG3 ARG A 56 4.431 1.223 -2.121 1.00 65.24 H new ATOM 0 HD2 ARG A 56 5.996 2.064 -3.875 1.00 23.51 H new ATOM 0 HD3 ARG A 56 5.654 3.718 -3.407 1.00 23.51 H new ATOM 0 HE ARG A 56 6.557 2.086 -1.164 1.00 25.33 H new ATOM 0 HH11 ARG A 56 7.709 4.029 -3.866 1.00 65.24 H new ATOM 0 HH12 ARG A 56 9.270 4.312 -3.090 1.00 65.24 H new ATOM 0 HH21 ARG A 56 8.476 2.484 -0.255 1.00 60.11 H new ATOM 0 HH22 ARG A 56 9.693 3.455 -1.090 1.00 60.11 H new ATOM 939 N PHE A 57 2.101 -0.569 -4.010 1.00 74.42 N ATOM 940 CA PHE A 57 1.833 -1.992 -3.703 1.00 13.22 C ATOM 941 C PHE A 57 2.488 -2.919 -4.752 1.00 70.02 C ATOM 942 O PHE A 57 3.162 -3.894 -4.403 1.00 15.14 O ATOM 943 CB PHE A 57 0.281 -2.227 -3.626 1.00 42.12 C ATOM 944 CG PHE A 57 -0.198 -3.643 -3.978 1.00 44.41 C ATOM 945 CD1 PHE A 57 0.112 -4.729 -3.166 1.00 2.20 C ATOM 946 CD2 PHE A 57 -0.943 -3.884 -5.136 1.00 12.13 C ATOM 947 CE1 PHE A 57 -0.299 -6.003 -3.496 1.00 32.33 C ATOM 948 CE2 PHE A 57 -1.356 -5.157 -5.465 1.00 63.13 C ATOM 949 CZ PHE A 57 -1.031 -6.217 -4.644 1.00 52.33 C ATOM 0 H PHE A 57 1.254 -0.001 -4.041 1.00 74.42 H new ATOM 0 HA PHE A 57 2.275 -2.237 -2.737 1.00 13.22 H new ATOM 0 HB2 PHE A 57 -0.054 -1.991 -2.616 1.00 42.12 H new ATOM 0 HB3 PHE A 57 -0.208 -1.521 -4.297 1.00 42.12 H new ATOM 0 HD1 PHE A 57 0.683 -4.572 -2.263 1.00 2.20 H new ATOM 0 HD2 PHE A 57 -1.199 -3.059 -5.784 1.00 12.13 H new ATOM 0 HE1 PHE A 57 -0.047 -6.834 -2.854 1.00 32.33 H new ATOM 0 HE2 PHE A 57 -1.932 -5.324 -6.363 1.00 63.13 H new ATOM 0 HZ PHE A 57 -1.351 -7.216 -4.901 1.00 52.33 H new ATOM 959 N GLN A 58 2.273 -2.595 -6.032 1.00 71.42 N ATOM 960 CA GLN A 58 2.811 -3.380 -7.154 1.00 51.15 C ATOM 961 C GLN A 58 4.353 -3.299 -7.215 1.00 13.24 C ATOM 962 O GLN A 58 5.009 -4.284 -7.522 1.00 3.21 O ATOM 963 CB GLN A 58 2.161 -2.921 -8.481 1.00 35.40 C ATOM 964 CG GLN A 58 0.628 -3.064 -8.488 1.00 3.45 C ATOM 965 CD GLN A 58 -0.020 -2.663 -9.817 1.00 74.12 C ATOM 966 OE1 GLN A 58 -0.382 -1.504 -10.026 1.00 3.11 O ATOM 967 NE2 GLN A 58 -0.159 -3.607 -10.732 1.00 2.13 N ATOM 0 H GLN A 58 1.724 -1.785 -6.321 1.00 71.42 H new ATOM 0 HA GLN A 58 2.559 -4.428 -6.994 1.00 51.15 H new ATOM 0 HB2 GLN A 58 2.423 -1.879 -8.665 1.00 35.40 H new ATOM 0 HB3 GLN A 58 2.577 -3.504 -9.303 1.00 35.40 H new ATOM 0 HG2 GLN A 58 0.367 -4.098 -8.264 1.00 3.45 H new ATOM 0 HG3 GLN A 58 0.211 -2.450 -7.690 1.00 3.45 H new ATOM 0 HE21 GLN A 58 0.149 -4.559 -10.534 1.00 2.13 H new ATOM 0 HE22 GLN A 58 -0.574 -3.383 -11.636 1.00 2.13 H new ATOM 976 N GLN A 59 4.921 -2.139 -6.849 1.00 43.21 N ATOM 977 CA GLN A 59 6.394 -1.946 -6.819 1.00 3.35 C ATOM 978 C GLN A 59 7.028 -2.767 -5.666 1.00 30.25 C ATOM 979 O GLN A 59 8.144 -3.277 -5.791 1.00 70.34 O ATOM 980 CB GLN A 59 6.747 -0.437 -6.704 1.00 10.22 C ATOM 981 CG GLN A 59 6.154 0.468 -7.817 1.00 52.01 C ATOM 982 CD GLN A 59 6.635 0.178 -9.256 1.00 33.10 C ATOM 983 OE1 GLN A 59 6.994 -0.936 -9.624 1.00 72.14 O ATOM 984 NE2 GLN A 59 6.619 1.193 -10.096 1.00 61.02 N ATOM 0 H GLN A 59 4.389 -1.315 -6.568 1.00 43.21 H new ATOM 0 HA GLN A 59 6.812 -2.313 -7.757 1.00 3.35 H new ATOM 0 HB2 GLN A 59 6.399 -0.072 -5.738 1.00 10.22 H new ATOM 0 HB3 GLN A 59 7.832 -0.333 -6.713 1.00 10.22 H new ATOM 0 HG2 GLN A 59 5.068 0.375 -7.793 1.00 52.01 H new ATOM 0 HG3 GLN A 59 6.390 1.505 -7.578 1.00 52.01 H new ATOM 0 HE21 GLN A 59 6.318 2.114 -9.777 1.00 61.02 H new ATOM 0 HE22 GLN A 59 6.907 1.058 -11.065 1.00 61.02 H new ATOM 993 N LEU A 60 6.274 -2.899 -4.560 1.00 3.43 N ATOM 994 CA LEU A 60 6.607 -3.798 -3.432 1.00 33.53 C ATOM 995 C LEU A 60 6.633 -5.282 -3.882 1.00 21.33 C ATOM 996 O LEU A 60 7.530 -6.039 -3.490 1.00 73.12 O ATOM 997 CB LEU A 60 5.581 -3.585 -2.282 1.00 31.20 C ATOM 998 CG LEU A 60 5.806 -2.314 -1.398 1.00 22.22 C ATOM 999 CD1 LEU A 60 4.556 -1.975 -0.548 1.00 44.13 C ATOM 1000 CD2 LEU A 60 7.052 -2.496 -0.494 1.00 74.21 C ATOM 0 H LEU A 60 5.407 -2.381 -4.419 1.00 3.43 H new ATOM 0 HA LEU A 60 7.606 -3.553 -3.072 1.00 33.53 H new ATOM 0 HB2 LEU A 60 4.583 -3.531 -2.716 1.00 31.20 H new ATOM 0 HB3 LEU A 60 5.600 -4.462 -1.636 1.00 31.20 H new ATOM 0 HG LEU A 60 5.980 -1.473 -2.069 1.00 22.22 H new ATOM 0 HD11 LEU A 60 4.754 -1.086 0.051 1.00 44.13 H new ATOM 0 HD12 LEU A 60 3.708 -1.787 -1.207 1.00 44.13 H new ATOM 0 HD13 LEU A 60 4.326 -2.813 0.110 1.00 44.13 H new ATOM 0 HD21 LEU A 60 7.194 -1.603 0.114 1.00 74.21 H new ATOM 0 HD22 LEU A 60 6.907 -3.359 0.156 1.00 74.21 H new ATOM 0 HD23 LEU A 60 7.933 -2.655 -1.116 1.00 74.21 H new ATOM 1012 N MET A 61 5.647 -5.676 -4.717 1.00 13.44 N ATOM 1013 CA MET A 61 5.584 -7.032 -5.328 1.00 74.40 C ATOM 1014 C MET A 61 6.838 -7.307 -6.211 1.00 4.30 C ATOM 1015 O MET A 61 7.401 -8.410 -6.194 1.00 61.05 O ATOM 1016 CB MET A 61 4.294 -7.179 -6.182 1.00 21.24 C ATOM 1017 CG MET A 61 2.955 -7.021 -5.429 1.00 50.10 C ATOM 1018 SD MET A 61 2.608 -8.365 -4.259 1.00 35.40 S ATOM 1019 CE MET A 61 3.229 -7.729 -2.698 1.00 12.55 C ATOM 0 H MET A 61 4.873 -5.070 -4.989 1.00 13.44 H new ATOM 0 HA MET A 61 5.565 -7.764 -4.521 1.00 74.40 H new ATOM 0 HB2 MET A 61 4.327 -6.439 -6.982 1.00 21.24 H new ATOM 0 HB3 MET A 61 4.307 -8.161 -6.655 1.00 21.24 H new ATOM 0 HG2 MET A 61 2.963 -6.074 -4.888 1.00 50.10 H new ATOM 0 HG3 MET A 61 2.145 -6.967 -6.156 1.00 50.10 H new ATOM 0 HE1 MET A 61 3.567 -8.558 -2.076 1.00 12.55 H new ATOM 0 HE2 MET A 61 4.063 -7.053 -2.887 1.00 12.55 H new ATOM 0 HE3 MET A 61 2.434 -7.190 -2.183 1.00 12.55 H new ATOM 1029 N LYS A 62 7.268 -6.268 -6.963 1.00 3.23 N ATOM 1030 CA LYS A 62 8.493 -6.308 -7.802 1.00 65.51 C ATOM 1031 C LYS A 62 9.790 -6.440 -6.957 1.00 12.11 C ATOM 1032 O LYS A 62 10.792 -6.959 -7.451 1.00 73.55 O ATOM 1033 CB LYS A 62 8.578 -5.062 -8.752 1.00 20.41 C ATOM 1034 CG LYS A 62 7.938 -5.219 -10.171 1.00 54.12 C ATOM 1035 CD LYS A 62 6.394 -5.015 -10.242 1.00 45.31 C ATOM 1036 CE LYS A 62 5.567 -6.261 -9.867 1.00 25.11 C ATOM 1037 NZ LYS A 62 5.770 -7.375 -10.817 1.00 12.34 N ATOM 0 H LYS A 62 6.776 -5.376 -7.007 1.00 3.23 H new ATOM 0 HA LYS A 62 8.415 -7.205 -8.416 1.00 65.51 H new ATOM 0 HB2 LYS A 62 8.099 -4.220 -8.253 1.00 20.41 H new ATOM 0 HB3 LYS A 62 9.629 -4.801 -8.879 1.00 20.41 H new ATOM 0 HG2 LYS A 62 8.412 -4.505 -10.844 1.00 54.12 H new ATOM 0 HG3 LYS A 62 8.172 -6.215 -10.547 1.00 54.12 H new ATOM 0 HD2 LYS A 62 6.117 -4.197 -9.577 1.00 45.31 H new ATOM 0 HD3 LYS A 62 6.127 -4.708 -11.253 1.00 45.31 H new ATOM 0 HE2 LYS A 62 5.840 -6.588 -8.864 1.00 25.11 H new ATOM 0 HE3 LYS A 62 4.510 -5.998 -9.839 1.00 25.11 H new ATOM 0 HZ1 LYS A 62 4.961 -8.026 -10.766 1.00 12.34 H new ATOM 0 HZ2 LYS A 62 5.851 -6.997 -11.783 1.00 12.34 H new ATOM 0 HZ3 LYS A 62 6.642 -7.886 -10.571 1.00 12.34 H new ATOM 1051 N LEU A 63 9.774 -5.940 -5.699 1.00 22.44 N ATOM 1052 CA LEU A 63 10.923 -6.080 -4.760 1.00 75.53 C ATOM 1053 C LEU A 63 11.128 -7.549 -4.318 1.00 43.40 C ATOM 1054 O LEU A 63 12.269 -7.999 -4.134 1.00 54.15 O ATOM 1055 CB LEU A 63 10.738 -5.171 -3.510 1.00 44.51 C ATOM 1056 CG LEU A 63 10.668 -3.633 -3.782 1.00 64.04 C ATOM 1057 CD1 LEU A 63 10.430 -2.838 -2.476 1.00 12.15 C ATOM 1058 CD2 LEU A 63 11.931 -3.130 -4.523 1.00 14.03 C ATOM 0 H LEU A 63 8.980 -5.435 -5.306 1.00 22.44 H new ATOM 0 HA LEU A 63 11.814 -5.761 -5.300 1.00 75.53 H new ATOM 0 HB2 LEU A 63 9.823 -5.471 -3.000 1.00 44.51 H new ATOM 0 HB3 LEU A 63 11.563 -5.361 -2.823 1.00 44.51 H new ATOM 0 HG LEU A 63 9.813 -3.457 -4.435 1.00 64.04 H new ATOM 0 HD11 LEU A 63 10.387 -1.772 -2.701 1.00 12.15 H new ATOM 0 HD12 LEU A 63 9.489 -3.152 -2.025 1.00 12.15 H new ATOM 0 HD13 LEU A 63 11.247 -3.029 -1.780 1.00 12.15 H new ATOM 0 HD21 LEU A 63 11.848 -2.057 -4.696 1.00 14.03 H new ATOM 0 HD22 LEU A 63 12.814 -3.333 -3.917 1.00 14.03 H new ATOM 0 HD23 LEU A 63 12.021 -3.645 -5.479 1.00 14.03 H new ATOM 1070 N PHE A 64 10.009 -8.287 -4.134 1.00 21.44 N ATOM 1071 CA PHE A 64 10.040 -9.736 -3.808 1.00 71.23 C ATOM 1072 C PHE A 64 10.650 -10.567 -4.970 1.00 32.42 C ATOM 1073 O PHE A 64 11.368 -11.546 -4.734 1.00 53.22 O ATOM 1074 CB PHE A 64 8.619 -10.262 -3.469 1.00 75.01 C ATOM 1075 CG PHE A 64 8.041 -9.725 -2.159 1.00 41.04 C ATOM 1076 CD1 PHE A 64 8.504 -10.201 -0.929 1.00 50.21 C ATOM 1077 CD2 PHE A 64 7.039 -8.757 -2.148 1.00 52.13 C ATOM 1078 CE1 PHE A 64 7.984 -9.721 0.262 1.00 52.34 C ATOM 1079 CE2 PHE A 64 6.521 -8.278 -0.959 1.00 53.12 C ATOM 1080 CZ PHE A 64 6.992 -8.760 0.246 1.00 71.02 C ATOM 0 H PHE A 64 9.067 -7.902 -4.206 1.00 21.44 H new ATOM 0 HA PHE A 64 10.676 -9.855 -2.931 1.00 71.23 H new ATOM 0 HB2 PHE A 64 7.944 -10.000 -4.284 1.00 75.01 H new ATOM 0 HB3 PHE A 64 8.650 -11.350 -3.419 1.00 75.01 H new ATOM 0 HD1 PHE A 64 9.278 -10.954 -0.907 1.00 50.21 H new ATOM 0 HD2 PHE A 64 6.660 -8.374 -3.084 1.00 52.13 H new ATOM 0 HE1 PHE A 64 8.355 -10.098 1.204 1.00 52.34 H new ATOM 0 HE2 PHE A 64 5.747 -7.525 -0.973 1.00 53.12 H new ATOM 0 HZ PHE A 64 6.586 -8.386 1.174 1.00 71.02 H new ATOM 1090 N GLU A 65 10.338 -10.169 -6.217 1.00 41.41 N ATOM 1091 CA GLU A 65 10.907 -10.799 -7.432 1.00 71.41 C ATOM 1092 C GLU A 65 12.413 -10.457 -7.575 1.00 31.41 C ATOM 1093 O GLU A 65 13.243 -11.339 -7.808 1.00 2.23 O ATOM 1094 CB GLU A 65 10.137 -10.313 -8.690 1.00 44.01 C ATOM 1095 CG GLU A 65 8.608 -10.547 -8.640 1.00 21.33 C ATOM 1096 CD GLU A 65 7.874 -10.006 -9.882 1.00 52.14 C ATOM 1097 OE1 GLU A 65 8.086 -8.827 -10.236 1.00 22.53 O ATOM 1098 OE2 GLU A 65 7.058 -10.739 -10.487 1.00 44.03 O ATOM 0 H GLU A 65 9.689 -9.407 -6.415 1.00 41.41 H new ATOM 0 HA GLU A 65 10.804 -11.880 -7.339 1.00 71.41 H new ATOM 0 HB2 GLU A 65 10.324 -9.248 -8.825 1.00 44.01 H new ATOM 0 HB3 GLU A 65 10.541 -10.821 -9.566 1.00 44.01 H new ATOM 0 HG2 GLU A 65 8.413 -11.615 -8.546 1.00 21.33 H new ATOM 0 HG3 GLU A 65 8.202 -10.069 -7.748 1.00 21.33 H new ATOM 1105 N LYS A 66 12.710 -9.146 -7.435 1.00 41.40 N ATOM 1106 CA LYS A 66 14.064 -8.529 -7.502 1.00 31.31 C ATOM 1107 C LYS A 66 14.658 -8.503 -8.944 1.00 2.45 C ATOM 1108 O LYS A 66 15.079 -7.441 -9.417 1.00 41.03 O ATOM 1109 CB LYS A 66 15.061 -9.173 -6.490 1.00 42.44 C ATOM 1110 CG LYS A 66 16.314 -8.312 -6.215 1.00 3.45 C ATOM 1111 CD LYS A 66 17.306 -8.964 -5.226 1.00 51.13 C ATOM 1112 CE LYS A 66 18.487 -8.030 -4.886 1.00 51.32 C ATOM 1113 NZ LYS A 66 19.214 -7.571 -6.103 1.00 3.52 N ATOM 0 H LYS A 66 11.982 -8.452 -7.264 1.00 41.40 H new ATOM 0 HA LYS A 66 13.922 -7.490 -7.206 1.00 31.31 H new ATOM 0 HB2 LYS A 66 14.542 -9.354 -5.549 1.00 42.44 H new ATOM 0 HB3 LYS A 66 15.376 -10.144 -6.872 1.00 42.44 H new ATOM 0 HG2 LYS A 66 16.827 -8.120 -7.157 1.00 3.45 H new ATOM 0 HG3 LYS A 66 16.001 -7.346 -5.819 1.00 3.45 H new ATOM 0 HD2 LYS A 66 16.780 -9.231 -4.309 1.00 51.13 H new ATOM 0 HD3 LYS A 66 17.689 -9.890 -5.655 1.00 51.13 H new ATOM 0 HE2 LYS A 66 18.116 -7.163 -4.339 1.00 51.32 H new ATOM 0 HE3 LYS A 66 19.181 -8.551 -4.226 1.00 51.32 H new ATOM 0 HZ1 LYS A 66 20.066 -7.045 -5.821 1.00 3.52 H new ATOM 0 HZ2 LYS A 66 19.489 -8.395 -6.675 1.00 3.52 H new ATOM 0 HZ3 LYS A 66 18.595 -6.952 -6.664 1.00 3.52 H new ATOM 1127 N SER A 67 14.708 -9.677 -9.621 1.00 53.01 N ATOM 1128 CA SER A 67 15.169 -9.807 -11.041 1.00 1.44 C ATOM 1129 C SER A 67 14.435 -8.839 -12.004 1.00 52.41 C ATOM 1130 O SER A 67 15.029 -8.343 -12.969 1.00 42.24 O ATOM 1131 CB SER A 67 14.966 -11.262 -11.533 1.00 53.51 C ATOM 1132 OG SER A 67 15.410 -11.437 -12.877 1.00 43.42 O ATOM 0 H SER A 67 14.431 -10.566 -9.204 1.00 53.01 H new ATOM 0 HA SER A 67 16.226 -9.543 -11.051 1.00 1.44 H new ATOM 0 HB2 SER A 67 15.509 -11.945 -10.880 1.00 53.51 H new ATOM 0 HB3 SER A 67 13.911 -11.525 -11.462 1.00 53.51 H new ATOM 0 HG SER A 67 15.267 -12.367 -13.150 1.00 43.42 H new ATOM 1138 N LYS A 68 13.135 -8.617 -11.745 1.00 24.21 N ATOM 1139 CA LYS A 68 12.314 -7.652 -12.502 1.00 20.54 C ATOM 1140 C LYS A 68 12.772 -6.193 -12.223 1.00 65.21 C ATOM 1141 O LYS A 68 13.126 -5.464 -13.159 1.00 72.13 O ATOM 1142 CB LYS A 68 10.815 -7.841 -12.141 1.00 12.21 C ATOM 1143 CG LYS A 68 9.827 -6.867 -12.833 1.00 32.33 C ATOM 1144 CD LYS A 68 9.875 -6.933 -14.381 1.00 12.04 C ATOM 1145 CE LYS A 68 8.874 -5.963 -15.036 1.00 34.14 C ATOM 1146 NZ LYS A 68 8.986 -5.944 -16.516 1.00 50.14 N ATOM 0 H LYS A 68 12.623 -9.100 -11.007 1.00 24.21 H new ATOM 0 HA LYS A 68 12.445 -7.840 -13.568 1.00 20.54 H new ATOM 0 HB2 LYS A 68 10.526 -8.861 -12.392 1.00 12.21 H new ATOM 0 HB3 LYS A 68 10.704 -7.735 -11.062 1.00 12.21 H new ATOM 0 HG2 LYS A 68 8.814 -7.092 -12.499 1.00 32.33 H new ATOM 0 HG3 LYS A 68 10.049 -5.849 -12.514 1.00 32.33 H new ATOM 0 HD2 LYS A 68 10.883 -6.697 -14.722 1.00 12.04 H new ATOM 0 HD3 LYS A 68 9.658 -7.950 -14.706 1.00 12.04 H new ATOM 0 HE2 LYS A 68 7.860 -6.248 -14.755 1.00 34.14 H new ATOM 0 HE3 LYS A 68 9.041 -4.958 -14.649 1.00 34.14 H new ATOM 0 HZ1 LYS A 68 8.292 -5.276 -16.908 1.00 50.14 H new ATOM 0 HZ2 LYS A 68 9.945 -5.646 -16.788 1.00 50.14 H new ATOM 0 HZ3 LYS A 68 8.800 -6.896 -16.890 1.00 50.14 H new ATOM 1160 N CYS A 69 12.769 -5.812 -10.924 1.00 33.14 N ATOM 1161 CA CYS A 69 13.145 -4.455 -10.446 1.00 12.03 C ATOM 1162 C CYS A 69 12.331 -3.344 -11.165 1.00 1.33 C ATOM 1163 O CYS A 69 12.842 -2.672 -12.082 1.00 43.12 O ATOM 1164 CB CYS A 69 14.676 -4.216 -10.577 1.00 34.30 C ATOM 1165 SG CYS A 69 15.248 -2.629 -9.921 1.00 60.01 S ATOM 0 H CYS A 69 12.503 -6.443 -10.168 1.00 33.14 H new ATOM 0 HA CYS A 69 12.892 -4.402 -9.387 1.00 12.03 H new ATOM 0 HB2 CYS A 69 15.202 -5.019 -10.060 1.00 34.30 H new ATOM 0 HB3 CYS A 69 14.952 -4.280 -11.630 1.00 34.30 H new ATOM 0 HG CYS A 69 16.535 -2.533 -10.078 1.00 60.01 H new ATOM 1171 N ARG A 70 11.045 -3.214 -10.753 1.00 15.40 N ATOM 1172 CA ARG A 70 10.043 -2.292 -11.356 1.00 44.41 C ATOM 1173 C ARG A 70 9.647 -2.736 -12.811 1.00 13.13 C ATOM 1174 O ARG A 70 10.414 -2.466 -13.773 1.00 37.93 O ATOM 1175 CB ARG A 70 10.516 -0.805 -11.305 1.00 31.34 C ATOM 1176 CG ARG A 70 9.487 0.225 -11.839 1.00 22.35 C ATOM 1177 CD ARG A 70 10.023 1.665 -11.826 1.00 63.15 C ATOM 1178 NE ARG A 70 11.233 1.820 -12.651 1.00 62.44 N ATOM 1179 CZ ARG A 70 11.798 2.961 -12.976 1.00 24.23 C ATOM 1180 NH1 ARG A 70 11.309 4.100 -12.578 1.00 21.14 N ATOM 1181 NH2 ARG A 70 12.865 2.947 -13.705 1.00 52.43 N ATOM 1182 OXT ARG A 70 8.556 -3.321 -12.987 1.00 37.93 O ATOM 0 H ARG A 70 10.666 -3.757 -9.977 1.00 15.40 H new ATOM 0 HA ARG A 70 9.141 -2.355 -10.748 1.00 44.41 H new ATOM 0 HB2 ARG A 70 10.760 -0.552 -10.273 1.00 31.34 H new ATOM 0 HB3 ARG A 70 11.436 -0.711 -11.883 1.00 31.34 H new ATOM 0 HG2 ARG A 70 9.206 -0.044 -12.857 1.00 22.35 H new ATOM 0 HG3 ARG A 70 8.582 0.174 -11.234 1.00 22.35 H new ATOM 0 HD2 ARG A 70 9.249 2.341 -12.190 1.00 63.15 H new ATOM 0 HD3 ARG A 70 10.246 1.958 -10.800 1.00 63.15 H new ATOM 0 HE ARG A 70 11.671 0.968 -13.001 1.00 62.44 H new ATOM 0 HH11 ARG A 70 10.469 4.120 -12.000 1.00 21.14 H new ATOM 0 HH12 ARG A 70 11.766 4.972 -12.844 1.00 21.14 H new ATOM 0 HH21 ARG A 70 13.256 2.059 -14.019 1.00 52.43 H new ATOM 0 HH22 ARG A 70 13.316 3.824 -13.966 1.00 52.43 H new TER 1196 ARG A 70