USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ -161:sc= 1.85 (180deg=0.0501!) USER MOD Set 1.2: A 103 THR OG1 : rot -75:sc= 1.66 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 170:sc= 1.6 (180deg=0.553) USER MOD Set 2.2: A 54 SER OG : rot -76:sc= 1.52 USER MOD Set 2.3: A 69 TYR OH : rot -162:sc= 1.04 USER MOD Set 3.1: A 39 SER OG : rot 72:sc= 1.23 USER MOD Set 3.2: A 63 SER OG : rot -90:sc= 2.21 USER MOD Set 3.3: A 65 THR OG1 : rot 137:sc= 2.3 USER MOD Set 4.1: A 24 THR OG1 : rot 171:sc= 1.16 USER MOD Set 4.2: A 32 LYS NZ :NH3+ -140:sc= 2.15 (180deg=0) USER MOD Set 4.3: A 33 SER OG : rot 82:sc= 2.81 USER MOD Set 4.4: A 36 GLN : amide:sc= 1.03 K(o=7.1,f=-5.7!) USER MOD Set 5.1: A 30 THR OG1 : rot 118:sc= 1.25 USER MOD Set 5.2: A 91 SER OG : rot -27:sc= 1 USER MOD Set 6.1: A 23 TYR OH : rot 130:sc= 0.543 USER MOD Set 6.2: A 83 LYS NZ :NH3+ -169:sc= 2.17 (180deg=1.11) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 0.386 (180deg=-1.26!) USER MOD Single : A 6 SER OG : rot -88:sc= 0.866 USER MOD Single : A 7 GLN : amide:sc= -0.411 K(o=-0.41,f=-3.3!) USER MOD Single : A 9 SER OG : rot 94:sc= 0.942 USER MOD Single : A 11 ASN : amide:sc= 1.07 K(o=1.1,f=-0.87) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.28) USER MOD Single : A 20 SER OG : rot -86:sc= 0.897 USER MOD Single : A 22 LYS NZ :NH3+ -126:sc= 1.13 (180deg=0.52) USER MOD Single : A 27 TYR OH : rot -155:sc= 0.994 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.0373) USER MOD Single : A 29 SER OG : rot 156:sc= 1.2 USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= 2.48 (180deg=1.08) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 2.45 (180deg=2.22) USER MOD Single : A 47 ASN : amide:sc= 0.245 K(o=0.24,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot 121:sc= -0.071 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -160:sc= 1.74 USER MOD Single : A 61 MET CE :methyl -162:sc= -0.0129 (180deg=-0.25) USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= 1.32 (180deg=1.14) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 2.43 (180deg=1.7) USER MOD Single : A 68 TYR OH : rot -130:sc=-0.000304 USER MOD Single : A 71 GLN : amide:sc= 0.854 K(o=0.85,f=-0.58) USER MOD Single : A 74 ASN : amide:sc= 1.48 K(o=1.5,f=-3.4!) USER MOD Single : A 75 ASN : amide:sc= 2.26 K(o=2.3,f=-8!) USER MOD Single : A 79 THR OG1 : rot 168:sc= 2.09 USER MOD Single : A 98 SER OG : rot 150:sc= -0.728 USER MOD Single : A 102 THR OG1 : rot -58:sc= 0.921 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 14.210 7.887 -16.280 1.00 0.00 N ATOM 2 CA ALA A 2 14.415 6.823 -17.282 1.00 0.00 C ATOM 3 C ALA A 2 13.759 5.517 -16.825 1.00 0.00 C ATOM 4 O ALA A 2 14.075 5.050 -15.733 1.00 0.00 O ATOM 5 CB ALA A 2 15.910 6.606 -17.549 1.00 0.00 C ATOM 0 HA ALA A 2 13.943 7.140 -18.212 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.036 5.817 -18.291 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.351 7.530 -17.923 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.407 6.316 -16.623 1.00 0.00 H new ATOM 13 N PRO A 3 12.839 4.928 -17.607 1.00 0.00 N ATOM 14 CA PRO A 3 12.459 3.526 -17.463 1.00 0.00 C ATOM 15 C PRO A 3 13.583 2.560 -17.876 1.00 0.00 C ATOM 16 O PRO A 3 14.678 2.981 -18.247 1.00 0.00 O ATOM 17 CB PRO A 3 11.210 3.337 -18.333 1.00 0.00 C ATOM 18 CG PRO A 3 10.996 4.648 -19.090 1.00 0.00 C ATOM 19 CD PRO A 3 12.216 5.510 -18.780 1.00 0.00 C ATOM 0 HA PRO A 3 12.261 3.292 -16.417 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.344 2.507 -19.027 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.342 3.100 -17.717 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.905 4.470 -20.162 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.078 5.140 -18.769 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.908 5.522 -19.622 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.924 6.543 -18.593 1.00 0.00 H new ATOM 27 N VAL A 4 13.301 1.250 -17.811 1.00 0.00 N ATOM 28 CA VAL A 4 14.178 0.198 -18.358 1.00 0.00 C ATOM 29 C VAL A 4 14.378 0.364 -19.872 1.00 0.00 C ATOM 30 O VAL A 4 15.509 0.299 -20.346 1.00 0.00 O ATOM 31 CB VAL A 4 13.635 -1.202 -18.002 1.00 0.00 C ATOM 32 CG1 VAL A 4 14.407 -2.339 -18.691 1.00 0.00 C ATOM 33 CG2 VAL A 4 13.718 -1.438 -16.487 1.00 0.00 C ATOM 0 H VAL A 4 12.454 0.886 -17.375 1.00 0.00 H new ATOM 0 HA VAL A 4 15.160 0.301 -17.896 1.00 0.00 H new ATOM 0 HB VAL A 4 12.603 -1.218 -18.352 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.978 -3.298 -18.401 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.338 -2.223 -19.773 1.00 0.00 H new ATOM 0 HG13 VAL A 4 15.454 -2.304 -18.389 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.331 -2.430 -16.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.757 -1.367 -16.164 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.125 -0.685 -15.968 1.00 0.00 H new ATOM 43 N LYS A 5 13.290 0.559 -20.634 1.00 0.00 N ATOM 44 CA LYS A 5 13.323 1.053 -22.021 1.00 0.00 C ATOM 45 C LYS A 5 13.171 2.589 -22.042 1.00 0.00 C ATOM 46 O LYS A 5 13.056 3.207 -20.985 1.00 0.00 O ATOM 47 CB LYS A 5 12.296 0.312 -22.901 1.00 0.00 C ATOM 48 CG LYS A 5 12.393 -1.228 -22.847 1.00 0.00 C ATOM 49 CD LYS A 5 11.439 -1.847 -21.814 1.00 0.00 C ATOM 50 CE LYS A 5 11.368 -3.374 -21.916 1.00 0.00 C ATOM 51 NZ LYS A 5 10.127 -3.868 -21.277 1.00 0.00 N ATOM 0 H LYS A 5 12.345 0.374 -20.298 1.00 0.00 H new ATOM 0 HA LYS A 5 14.295 0.832 -22.463 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.293 0.610 -22.595 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.423 0.635 -23.934 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.169 -1.637 -23.832 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.417 -1.515 -22.608 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.765 -1.569 -20.812 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.441 -1.431 -21.952 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.394 -3.678 -22.962 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.238 -3.820 -21.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.929 -4.835 -21.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.245 -3.870 -20.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.333 -3.247 -21.533 1.00 0.00 H new ATOM 65 N SER A 6 13.198 3.229 -23.220 1.00 0.00 N ATOM 66 CA SER A 6 13.193 4.701 -23.301 1.00 0.00 C ATOM 67 C SER A 6 11.883 5.351 -22.817 1.00 0.00 C ATOM 68 O SER A 6 10.833 4.714 -22.721 1.00 0.00 O ATOM 69 CB SER A 6 13.565 5.187 -24.704 1.00 0.00 C ATOM 70 OG SER A 6 14.111 6.488 -24.589 1.00 0.00 O ATOM 0 H SER A 6 13.223 2.757 -24.124 1.00 0.00 H new ATOM 0 HA SER A 6 13.963 5.031 -22.603 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.287 4.511 -25.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.686 5.199 -25.348 1.00 0.00 H new ATOM 0 HG SER A 6 13.389 7.150 -24.622 1.00 0.00 H new ATOM 76 N GLN A 7 11.967 6.641 -22.473 1.00 0.00 N ATOM 77 CA GLN A 7 10.954 7.369 -21.704 1.00 0.00 C ATOM 78 C GLN A 7 9.881 8.042 -22.573 1.00 0.00 C ATOM 79 O GLN A 7 8.701 8.033 -22.222 1.00 0.00 O ATOM 80 CB GLN A 7 11.689 8.403 -20.829 1.00 0.00 C ATOM 81 CG GLN A 7 10.786 8.959 -19.723 1.00 0.00 C ATOM 82 CD GLN A 7 11.586 9.678 -18.638 1.00 0.00 C ATOM 83 OE1 GLN A 7 12.230 9.061 -17.794 1.00 0.00 O ATOM 84 NE2 GLN A 7 11.571 10.997 -18.615 1.00 0.00 N ATOM 0 H GLN A 7 12.764 7.223 -22.730 1.00 0.00 H new ATOM 0 HA GLN A 7 10.405 6.653 -21.093 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.569 7.940 -20.381 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.043 9.222 -21.455 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.063 9.649 -20.158 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.218 8.144 -19.275 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.037 11.513 -19.314 1.00 0.00 H new ATOM 0 HE22 GLN A 7 12.093 11.501 -17.898 1.00 0.00 H new ATOM 93 N GLU A 8 10.290 8.631 -23.697 1.00 0.00 N ATOM 94 CA GLU A 8 9.438 9.404 -24.603 1.00 0.00 C ATOM 95 C GLU A 8 8.330 8.557 -25.245 1.00 0.00 C ATOM 96 O GLU A 8 7.162 8.946 -25.220 1.00 0.00 O ATOM 97 CB GLU A 8 10.326 10.141 -25.632 1.00 0.00 C ATOM 98 CG GLU A 8 11.025 9.302 -26.725 1.00 0.00 C ATOM 99 CD GLU A 8 11.699 8.025 -26.201 1.00 0.00 C ATOM 100 OE1 GLU A 8 12.530 8.111 -25.265 1.00 0.00 O ATOM 101 OE2 GLU A 8 11.267 6.927 -26.622 1.00 0.00 O ATOM 0 H GLU A 8 11.258 8.582 -24.014 1.00 0.00 H new ATOM 0 HA GLU A 8 8.898 10.154 -24.025 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.709 10.889 -26.130 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.097 10.680 -25.081 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.291 9.028 -27.482 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.776 9.920 -27.218 1.00 0.00 H new ATOM 108 N SER A 9 8.687 7.383 -25.776 1.00 0.00 N ATOM 109 CA SER A 9 7.823 6.481 -26.533 1.00 0.00 C ATOM 110 C SER A 9 6.679 5.959 -25.671 1.00 0.00 C ATOM 111 O SER A 9 5.521 6.043 -26.082 1.00 0.00 O ATOM 112 CB SER A 9 8.644 5.304 -27.083 1.00 0.00 C ATOM 113 OG SER A 9 9.671 5.750 -27.945 1.00 0.00 O ATOM 0 H SER A 9 9.636 7.021 -25.683 1.00 0.00 H new ATOM 0 HA SER A 9 7.394 7.042 -27.363 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.079 4.744 -26.255 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.987 4.620 -27.620 1.00 0.00 H new ATOM 0 HG SER A 9 10.502 5.857 -27.436 1.00 0.00 H new ATOM 119 N ILE A 10 6.998 5.446 -24.471 1.00 0.00 N ATOM 120 CA ILE A 10 5.994 4.970 -23.517 1.00 0.00 C ATOM 121 C ILE A 10 5.064 6.114 -23.106 1.00 0.00 C ATOM 122 O ILE A 10 3.857 5.959 -23.260 1.00 0.00 O ATOM 123 CB ILE A 10 6.641 4.187 -22.347 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.604 3.354 -21.553 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.548 5.035 -21.436 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.831 4.089 -20.451 1.00 0.00 C ATOM 0 H ILE A 10 7.958 5.352 -24.140 1.00 0.00 H new ATOM 0 HA ILE A 10 5.351 4.234 -24.000 1.00 0.00 H new ATOM 0 HB ILE A 10 7.320 3.480 -22.823 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.883 2.945 -22.260 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.121 2.508 -21.100 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.958 4.407 -20.645 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.363 5.456 -22.024 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.965 5.843 -20.993 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.138 3.399 -19.970 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.532 4.474 -19.710 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.273 4.917 -20.888 1.00 0.00 H new ATOM 138 N ASN A 11 5.588 7.273 -22.675 1.00 0.00 N ATOM 139 CA ASN A 11 4.771 8.439 -22.322 1.00 0.00 C ATOM 140 C ASN A 11 3.820 8.838 -23.460 1.00 0.00 C ATOM 141 O ASN A 11 2.604 8.884 -23.260 1.00 0.00 O ATOM 142 CB ASN A 11 5.678 9.626 -21.938 1.00 0.00 C ATOM 143 CG ASN A 11 6.026 9.698 -20.459 1.00 0.00 C ATOM 144 OD1 ASN A 11 5.774 8.796 -19.675 1.00 0.00 O ATOM 145 ND2 ASN A 11 6.564 10.825 -20.045 1.00 0.00 N ATOM 0 H ASN A 11 6.590 7.425 -22.562 1.00 0.00 H new ATOM 0 HA ASN A 11 4.156 8.165 -21.465 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.602 9.563 -22.513 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.184 10.553 -22.228 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.777 10.955 -19.056 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.768 11.568 -20.713 1.00 0.00 H new ATOM 152 N GLN A 12 4.377 9.116 -24.644 1.00 0.00 N ATOM 153 CA GLN A 12 3.624 9.542 -25.820 1.00 0.00 C ATOM 154 C GLN A 12 2.545 8.519 -26.178 1.00 0.00 C ATOM 155 O GLN A 12 1.364 8.869 -26.228 1.00 0.00 O ATOM 156 CB GLN A 12 4.596 9.791 -26.985 1.00 0.00 C ATOM 157 CG GLN A 12 3.894 10.390 -28.212 1.00 0.00 C ATOM 158 CD GLN A 12 4.843 10.542 -29.395 1.00 0.00 C ATOM 159 OE1 GLN A 12 4.709 9.880 -30.411 1.00 0.00 O ATOM 160 NE2 GLN A 12 5.832 11.412 -29.313 1.00 0.00 N ATOM 0 H GLN A 12 5.381 9.049 -24.811 1.00 0.00 H new ATOM 0 HA GLN A 12 3.107 10.476 -25.602 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.388 10.465 -26.657 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.073 8.852 -27.265 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.057 9.753 -28.498 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.479 11.364 -27.953 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.952 11.970 -28.467 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.477 11.527 -30.095 1.00 0.00 H new ATOM 169 N LYS A 13 2.931 7.255 -26.421 1.00 0.00 N ATOM 170 CA LYS A 13 1.992 6.226 -26.870 1.00 0.00 C ATOM 171 C LYS A 13 0.952 5.884 -25.797 1.00 0.00 C ATOM 172 O LYS A 13 -0.198 5.625 -26.146 1.00 0.00 O ATOM 173 CB LYS A 13 2.765 4.997 -27.384 1.00 0.00 C ATOM 174 CG LYS A 13 1.874 4.114 -28.271 1.00 0.00 C ATOM 175 CD LYS A 13 2.678 3.062 -29.050 1.00 0.00 C ATOM 176 CE LYS A 13 1.718 2.311 -29.977 1.00 0.00 C ATOM 177 NZ LYS A 13 2.403 1.354 -30.873 1.00 0.00 N ATOM 0 H LYS A 13 3.890 6.926 -26.312 1.00 0.00 H new ATOM 0 HA LYS A 13 1.414 6.621 -27.706 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.638 5.323 -27.950 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.133 4.415 -26.539 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.132 3.613 -27.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.329 4.744 -28.974 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.468 3.540 -29.629 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.162 2.368 -28.362 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.986 1.774 -29.374 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.166 3.032 -30.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.781 1.121 -31.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.281 1.781 -31.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.629 0.486 -30.346 1.00 0.00 H new ATOM 191 N LEU A 14 1.310 5.920 -24.506 1.00 0.00 N ATOM 192 CA LEU A 14 0.373 5.630 -23.420 1.00 0.00 C ATOM 193 C LEU A 14 -0.653 6.754 -23.243 1.00 0.00 C ATOM 194 O LEU A 14 -1.835 6.453 -23.091 1.00 0.00 O ATOM 195 CB LEU A 14 1.140 5.290 -22.134 1.00 0.00 C ATOM 196 CG LEU A 14 0.244 4.627 -21.072 1.00 0.00 C ATOM 197 CD1 LEU A 14 1.023 3.560 -20.308 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.286 5.652 -20.072 1.00 0.00 C ATOM 0 H LEU A 14 2.252 6.150 -24.190 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.211 4.748 -23.682 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.968 4.623 -22.374 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.574 6.201 -21.722 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.596 4.173 -21.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.375 3.101 -19.561 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.372 2.797 -21.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.879 4.019 -19.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.915 5.151 -19.336 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.551 6.134 -19.566 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.873 6.404 -20.599 1.00 0.00 H new ATOM 210 N ALA A 15 -0.250 8.030 -23.324 1.00 0.00 N ATOM 211 CA ALA A 15 -1.217 9.132 -23.350 1.00 0.00 C ATOM 212 C ALA A 15 -2.092 9.100 -24.614 1.00 0.00 C ATOM 213 O ALA A 15 -3.309 9.264 -24.526 1.00 0.00 O ATOM 214 CB ALA A 15 -0.495 10.469 -23.217 1.00 0.00 C ATOM 0 H ALA A 15 0.727 8.320 -23.372 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.886 9.008 -22.499 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.223 11.280 -23.238 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.051 10.496 -22.274 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.204 10.589 -24.044 1.00 0.00 H new ATOM 220 N LEU A 16 -1.486 8.828 -25.782 1.00 0.00 N ATOM 221 CA LEU A 16 -2.193 8.611 -27.047 1.00 0.00 C ATOM 222 C LEU A 16 -3.236 7.491 -26.914 1.00 0.00 C ATOM 223 O LEU A 16 -4.339 7.653 -27.417 1.00 0.00 O ATOM 224 CB LEU A 16 -1.154 8.368 -28.157 1.00 0.00 C ATOM 225 CG LEU A 16 -1.675 8.353 -29.609 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.484 8.538 -30.556 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.330 7.031 -30.010 1.00 0.00 C ATOM 0 H LEU A 16 -0.473 8.752 -25.871 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.766 9.496 -27.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.388 9.139 -28.079 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.666 7.413 -27.962 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.418 9.148 -29.675 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.835 8.530 -31.588 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.003 9.490 -30.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.228 7.726 -30.408 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.672 7.093 -31.043 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.605 6.223 -29.916 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.180 6.833 -29.357 1.00 0.00 H new ATOM 239 N VAL A 17 -2.936 6.404 -26.193 1.00 0.00 N ATOM 240 CA VAL A 17 -3.924 5.401 -25.777 1.00 0.00 C ATOM 241 C VAL A 17 -4.983 5.964 -24.828 1.00 0.00 C ATOM 242 O VAL A 17 -6.172 5.881 -25.138 1.00 0.00 O ATOM 243 CB VAL A 17 -3.216 4.147 -25.225 1.00 0.00 C ATOM 244 CG1 VAL A 17 -4.068 3.266 -24.301 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.773 3.323 -26.434 1.00 0.00 C ATOM 0 H VAL A 17 -1.989 6.194 -25.878 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.484 5.098 -26.662 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.390 4.489 -24.601 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.479 2.412 -23.968 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.386 3.847 -23.436 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.945 2.912 -24.843 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.265 2.421 -26.093 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.646 3.046 -27.025 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.092 3.914 -27.047 1.00 0.00 H new ATOM 255 N ILE A 18 -4.586 6.537 -23.686 1.00 0.00 N ATOM 256 CA ILE A 18 -5.474 7.079 -22.641 1.00 0.00 C ATOM 257 C ILE A 18 -6.445 8.166 -23.151 1.00 0.00 C ATOM 258 O ILE A 18 -7.502 8.364 -22.553 1.00 0.00 O ATOM 259 CB ILE A 18 -4.618 7.473 -21.414 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.233 6.167 -20.675 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.364 8.432 -20.483 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.536 6.365 -19.327 1.00 0.00 C ATOM 0 H ILE A 18 -3.599 6.642 -23.451 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.167 6.302 -22.318 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.725 8.004 -21.743 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.136 5.578 -20.516 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.580 5.581 -21.322 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.728 8.684 -19.634 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.620 9.341 -21.027 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.276 7.955 -20.124 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.308 5.393 -18.889 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.611 6.923 -19.474 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.192 6.920 -18.656 1.00 0.00 H new ATOM 274 N LYS A 19 -6.175 8.767 -24.317 1.00 0.00 N ATOM 275 CA LYS A 19 -7.120 9.573 -25.108 1.00 0.00 C ATOM 276 C LYS A 19 -8.490 8.897 -25.296 1.00 0.00 C ATOM 277 O LYS A 19 -9.495 9.605 -25.317 1.00 0.00 O ATOM 278 CB LYS A 19 -6.460 9.835 -26.464 1.00 0.00 C ATOM 279 CG LYS A 19 -7.281 10.656 -27.468 1.00 0.00 C ATOM 280 CD LYS A 19 -6.470 11.000 -28.732 1.00 0.00 C ATOM 281 CE LYS A 19 -5.727 9.815 -29.373 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.634 8.718 -29.781 1.00 0.00 N ATOM 0 H LYS A 19 -5.256 8.704 -24.755 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.328 10.500 -24.573 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.515 10.350 -26.292 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.221 8.874 -26.920 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.173 10.097 -27.751 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.620 11.577 -26.993 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.145 11.429 -29.472 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.742 11.771 -28.479 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.176 10.167 -30.245 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.992 9.428 -28.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.077 7.941 -30.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.154 8.371 -28.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.309 9.071 -30.489 1.00 0.00 H new ATOM 296 N SER A 20 -8.552 7.562 -25.427 1.00 0.00 N ATOM 297 CA SER A 20 -9.832 6.832 -25.446 1.00 0.00 C ATOM 298 C SER A 20 -9.817 5.398 -24.884 1.00 0.00 C ATOM 299 O SER A 20 -10.888 4.877 -24.562 1.00 0.00 O ATOM 300 CB SER A 20 -10.430 6.844 -26.858 1.00 0.00 C ATOM 301 OG SER A 20 -9.754 5.960 -27.723 1.00 0.00 O ATOM 0 H SER A 20 -7.730 6.965 -25.521 1.00 0.00 H new ATOM 0 HA SER A 20 -10.461 7.383 -24.747 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.483 6.569 -26.808 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.384 7.855 -27.263 1.00 0.00 H new ATOM 0 HG SER A 20 -8.979 6.414 -28.115 1.00 0.00 H new ATOM 307 N GLY A 21 -8.650 4.770 -24.691 1.00 0.00 N ATOM 308 CA GLY A 21 -8.504 3.423 -24.131 1.00 0.00 C ATOM 309 C GLY A 21 -8.637 3.386 -22.603 1.00 0.00 C ATOM 310 O GLY A 21 -8.696 4.424 -21.941 1.00 0.00 O ATOM 0 H GLY A 21 -7.756 5.199 -24.928 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.258 2.770 -24.571 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.531 3.022 -24.414 1.00 0.00 H new ATOM 314 N LYS A 22 -8.734 2.181 -22.024 1.00 0.00 N ATOM 315 CA LYS A 22 -9.045 1.988 -20.598 1.00 0.00 C ATOM 316 C LYS A 22 -7.806 1.703 -19.756 1.00 0.00 C ATOM 317 O LYS A 22 -7.012 0.808 -20.053 1.00 0.00 O ATOM 318 CB LYS A 22 -10.081 0.877 -20.385 1.00 0.00 C ATOM 319 CG LYS A 22 -11.446 1.135 -21.034 1.00 0.00 C ATOM 320 CD LYS A 22 -12.204 2.388 -20.548 1.00 0.00 C ATOM 321 CE LYS A 22 -11.909 3.653 -21.371 1.00 0.00 C ATOM 322 NZ LYS A 22 -12.383 3.529 -22.770 1.00 0.00 N ATOM 0 H LYS A 22 -8.598 1.308 -22.533 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.468 2.935 -20.261 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.678 -0.056 -20.779 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.225 0.735 -19.314 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.303 1.217 -22.111 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.078 0.264 -20.862 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.275 2.188 -20.579 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.945 2.576 -19.506 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.389 4.511 -20.901 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.836 3.846 -21.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.598 3.729 -23.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.731 2.563 -22.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.153 4.208 -22.937 1.00 0.00 H new ATOM 336 N TYR A 23 -7.703 2.467 -18.670 1.00 0.00 N ATOM 337 CA TYR A 23 -6.607 2.436 -17.705 1.00 0.00 C ATOM 338 C TYR A 23 -7.087 2.425 -16.238 1.00 0.00 C ATOM 339 O TYR A 23 -8.251 2.701 -15.951 1.00 0.00 O ATOM 340 CB TYR A 23 -5.700 3.638 -18.001 1.00 0.00 C ATOM 341 CG TYR A 23 -6.327 4.997 -17.740 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.224 5.572 -18.666 1.00 0.00 C ATOM 343 CD2 TYR A 23 -5.981 5.701 -16.576 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.772 6.847 -18.425 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.506 6.986 -16.342 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.393 7.571 -17.272 1.00 0.00 C ATOM 347 OH TYR A 23 -7.861 8.837 -17.067 1.00 0.00 O ATOM 0 H TYR A 23 -8.415 3.156 -18.428 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.056 1.502 -17.818 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.797 3.550 -17.397 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.391 3.592 -19.045 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.491 5.032 -19.563 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.309 5.255 -15.857 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.481 7.271 -19.121 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.230 7.526 -15.449 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.228 8.908 -16.161 1.00 0.00 H new ATOM 357 N THR A 24 -6.172 2.126 -15.307 1.00 0.00 N ATOM 358 CA THR A 24 -6.361 2.132 -13.842 1.00 0.00 C ATOM 359 C THR A 24 -5.106 2.698 -13.148 1.00 0.00 C ATOM 360 O THR A 24 -4.008 2.563 -13.692 1.00 0.00 O ATOM 361 CB THR A 24 -6.721 0.713 -13.356 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.025 0.703 -11.981 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.620 -0.325 -13.599 1.00 0.00 C ATOM 0 H THR A 24 -5.223 1.857 -15.566 1.00 0.00 H new ATOM 0 HA THR A 24 -7.192 2.785 -13.576 1.00 0.00 H new ATOM 0 HB THR A 24 -7.591 0.435 -13.950 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.389 -0.173 -11.733 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.948 -1.297 -13.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.413 -0.393 -14.667 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.714 -0.024 -13.073 1.00 0.00 H new ATOM 371 N LEU A 25 -5.258 3.352 -11.981 1.00 0.00 N ATOM 372 CA LEU A 25 -4.220 4.184 -11.338 1.00 0.00 C ATOM 373 C LEU A 25 -4.151 4.034 -9.813 1.00 0.00 C ATOM 374 O LEU A 25 -5.169 4.134 -9.120 1.00 0.00 O ATOM 375 CB LEU A 25 -4.484 5.677 -11.613 1.00 0.00 C ATOM 376 CG LEU A 25 -4.405 6.138 -13.074 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.676 7.641 -13.127 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.024 5.910 -13.677 1.00 0.00 C ATOM 0 H LEU A 25 -6.126 3.317 -11.446 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.281 3.835 -11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.476 5.922 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.768 6.260 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.137 5.561 -13.639 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.623 7.984 -14.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.669 7.846 -12.727 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.929 8.167 -12.532 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.018 6.252 -14.712 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.281 6.467 -13.106 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.784 4.847 -13.645 1.00 0.00 H new ATOM 390 N GLY A 26 -2.931 3.908 -9.283 1.00 0.00 N ATOM 391 CA GLY A 26 -2.652 3.839 -7.845 1.00 0.00 C ATOM 392 C GLY A 26 -2.535 2.395 -7.356 1.00 0.00 C ATOM 393 O GLY A 26 -3.160 1.493 -7.908 1.00 0.00 O ATOM 0 H GLY A 26 -2.089 3.850 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.726 4.372 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.446 4.345 -7.296 1.00 0.00 H new ATOM 397 N TYR A 27 -1.719 2.166 -6.320 1.00 0.00 N ATOM 398 CA TYR A 27 -1.184 0.843 -5.979 1.00 0.00 C ATOM 399 C TYR A 27 -2.263 -0.237 -5.800 1.00 0.00 C ATOM 400 O TYR A 27 -2.334 -1.182 -6.586 1.00 0.00 O ATOM 401 CB TYR A 27 -0.275 0.966 -4.747 1.00 0.00 C ATOM 402 CG TYR A 27 0.351 -0.350 -4.334 1.00 0.00 C ATOM 403 CD1 TYR A 27 1.436 -0.869 -5.068 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.171 -1.070 -3.239 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.990 -2.111 -4.715 1.00 0.00 C ATOM 406 CE2 TYR A 27 0.388 -2.312 -2.886 1.00 0.00 C ATOM 407 CZ TYR A 27 1.469 -2.834 -3.624 1.00 0.00 C ATOM 408 OH TYR A 27 2.031 -4.016 -3.266 1.00 0.00 O ATOM 0 H TYR A 27 -1.408 2.903 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.596 0.497 -6.829 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.515 1.687 -4.957 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.855 1.363 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.841 -0.313 -5.901 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.998 -0.669 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.817 -2.512 -5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.012 -2.865 -2.049 1.00 0.00 H new ATOM 0 HH TYR A 27 1.367 -4.566 -2.799 1.00 0.00 H new ATOM 418 N LYS A 28 -3.125 -0.113 -4.781 1.00 0.00 N ATOM 419 CA LYS A 28 -4.160 -1.124 -4.537 1.00 0.00 C ATOM 420 C LYS A 28 -5.296 -1.048 -5.575 1.00 0.00 C ATOM 421 O LYS A 28 -5.953 -2.057 -5.815 1.00 0.00 O ATOM 422 CB LYS A 28 -4.640 -1.062 -3.079 1.00 0.00 C ATOM 423 CG LYS A 28 -5.164 -2.417 -2.551 1.00 0.00 C ATOM 424 CD LYS A 28 -4.132 -3.296 -1.800 1.00 0.00 C ATOM 425 CE LYS A 28 -2.911 -3.726 -2.631 1.00 0.00 C ATOM 426 NZ LYS A 28 -2.110 -4.799 -1.979 1.00 0.00 N ATOM 0 H LYS A 28 -3.126 0.666 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.723 -2.113 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.818 -0.727 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.431 -0.317 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.003 -2.224 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.553 -2.988 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.781 -2.749 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.637 -4.191 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.248 -4.074 -3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.273 -2.859 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.113 -4.707 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.189 -4.712 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.468 -5.729 -2.276 1.00 0.00 H new ATOM 440 N SER A 29 -5.452 0.088 -6.267 1.00 0.00 N ATOM 441 CA SER A 29 -6.327 0.245 -7.439 1.00 0.00 C ATOM 442 C SER A 29 -5.936 -0.707 -8.566 1.00 0.00 C ATOM 443 O SER A 29 -6.795 -1.434 -9.077 1.00 0.00 O ATOM 444 CB SER A 29 -6.260 1.649 -8.046 1.00 0.00 C ATOM 445 OG SER A 29 -6.073 2.688 -7.114 1.00 0.00 O ATOM 0 H SER A 29 -4.960 0.947 -6.021 1.00 0.00 H new ATOM 0 HA SER A 29 -7.328 0.036 -7.061 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.445 1.678 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.182 1.836 -8.597 1.00 0.00 H new ATOM 0 HG SER A 29 -5.674 3.462 -7.563 1.00 0.00 H new ATOM 451 N THR A 30 -4.652 -0.695 -8.972 1.00 0.00 N ATOM 452 CA THR A 30 -4.153 -1.687 -9.921 1.00 0.00 C ATOM 453 C THR A 30 -4.290 -3.085 -9.322 1.00 0.00 C ATOM 454 O THR A 30 -5.018 -3.860 -9.922 1.00 0.00 O ATOM 455 CB THR A 30 -2.792 -1.353 -10.551 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.427 -2.448 -11.345 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.642 -1.087 -9.596 1.00 0.00 C ATOM 0 H THR A 30 -3.957 -0.017 -8.659 1.00 0.00 H new ATOM 0 HA THR A 30 -4.789 -1.660 -10.806 1.00 0.00 H new ATOM 0 HB THR A 30 -2.942 -0.416 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.361 -2.166 -12.281 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.740 -0.864 -10.166 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.888 -0.238 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.472 -1.968 -8.977 1.00 0.00 H new ATOM 465 N VAL A 31 -3.790 -3.395 -8.111 1.00 0.00 N ATOM 466 CA VAL A 31 -3.981 -4.731 -7.486 1.00 0.00 C ATOM 467 C VAL A 31 -5.412 -5.265 -7.622 1.00 0.00 C ATOM 468 O VAL A 31 -5.604 -6.346 -8.173 1.00 0.00 O ATOM 469 CB VAL A 31 -3.559 -4.749 -6.007 1.00 0.00 C ATOM 470 CG1 VAL A 31 -3.989 -6.035 -5.286 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.045 -4.565 -5.893 1.00 0.00 C ATOM 0 H VAL A 31 -3.250 -2.744 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.325 -5.397 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.070 -3.921 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.666 -5.994 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.074 -6.129 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.533 -6.896 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.755 -4.579 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.539 -5.374 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.760 -3.610 -6.335 1.00 0.00 H new ATOM 481 N LYS A 32 -6.412 -4.498 -7.174 1.00 0.00 N ATOM 482 CA LYS A 32 -7.839 -4.766 -7.374 1.00 0.00 C ATOM 483 C LYS A 32 -8.147 -5.078 -8.848 1.00 0.00 C ATOM 484 O LYS A 32 -8.662 -6.147 -9.165 1.00 0.00 O ATOM 485 CB LYS A 32 -8.600 -3.538 -6.839 1.00 0.00 C ATOM 486 CG LYS A 32 -10.120 -3.544 -7.112 1.00 0.00 C ATOM 487 CD LYS A 32 -10.706 -2.133 -7.313 1.00 0.00 C ATOM 488 CE LYS A 32 -10.139 -1.397 -8.541 1.00 0.00 C ATOM 489 NZ LYS A 32 -10.556 -1.993 -9.834 1.00 0.00 N ATOM 0 H LYS A 32 -6.243 -3.643 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.159 -5.655 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.439 -3.470 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.170 -2.640 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.321 -4.144 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.630 -4.027 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.789 -2.210 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.511 -1.538 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.459 -0.356 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.050 -1.398 -8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.753 -1.984 -10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.867 -2.973 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.340 -1.440 -10.234 1.00 0.00 H new ATOM 503 N SER A 33 -7.813 -4.149 -9.746 1.00 0.00 N ATOM 504 CA SER A 33 -8.049 -4.233 -11.193 1.00 0.00 C ATOM 505 C SER A 33 -7.358 -5.433 -11.874 1.00 0.00 C ATOM 506 O SER A 33 -7.892 -5.972 -12.839 1.00 0.00 O ATOM 507 CB SER A 33 -7.581 -2.938 -11.875 1.00 0.00 C ATOM 508 OG SER A 33 -8.058 -1.766 -11.221 1.00 0.00 O ATOM 0 H SER A 33 -7.351 -3.280 -9.476 1.00 0.00 H new ATOM 0 HA SER A 33 -9.123 -4.377 -11.311 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.491 -2.918 -11.897 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.921 -2.935 -12.911 1.00 0.00 H new ATOM 0 HG SER A 33 -7.485 -1.564 -10.452 1.00 0.00 H new ATOM 514 N LEU A 34 -6.193 -5.863 -11.375 1.00 0.00 N ATOM 515 CA LEU A 34 -5.447 -7.029 -11.857 1.00 0.00 C ATOM 516 C LEU A 34 -5.974 -8.338 -11.255 1.00 0.00 C ATOM 517 O LEU A 34 -6.009 -9.351 -11.949 1.00 0.00 O ATOM 518 CB LEU A 34 -3.959 -6.893 -11.505 1.00 0.00 C ATOM 519 CG LEU A 34 -3.240 -5.621 -11.974 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.824 -5.626 -11.405 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.221 -5.451 -13.482 1.00 0.00 C ATOM 0 H LEU A 34 -5.729 -5.392 -10.598 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.580 -7.064 -12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.861 -6.956 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.433 -7.752 -11.923 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.801 -4.765 -11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.298 -4.728 -11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.869 -5.647 -10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.291 -6.507 -11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.696 -4.531 -13.738 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.709 -6.299 -13.937 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.244 -5.401 -13.855 1.00 0.00 H new ATOM 533 N ARG A 35 -6.432 -8.332 -9.994 1.00 0.00 N ATOM 534 CA ARG A 35 -7.164 -9.454 -9.379 1.00 0.00 C ATOM 535 C ARG A 35 -8.539 -9.663 -10.031 1.00 0.00 C ATOM 536 O ARG A 35 -9.014 -10.792 -10.085 1.00 0.00 O ATOM 537 CB ARG A 35 -7.271 -9.254 -7.857 1.00 0.00 C ATOM 538 CG ARG A 35 -5.898 -9.413 -7.174 1.00 0.00 C ATOM 539 CD ARG A 35 -5.921 -9.035 -5.687 1.00 0.00 C ATOM 540 NE ARG A 35 -6.515 -10.096 -4.853 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.960 -10.748 -3.834 1.00 0.00 C ATOM 542 NH1 ARG A 35 -4.737 -10.530 -3.400 1.00 0.00 N ATOM 543 NH2 ARG A 35 -6.655 -11.671 -3.211 1.00 0.00 N ATOM 0 H ARG A 35 -6.304 -7.540 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.597 -10.368 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.672 -8.263 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.972 -9.977 -7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.565 -10.446 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.167 -8.790 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.904 -8.835 -5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.487 -8.113 -5.557 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.471 -10.364 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.154 -9.825 -3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.372 -11.066 -2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.608 -11.881 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.242 -12.179 -2.428 1.00 0.00 H new ATOM 557 N GLN A 36 -9.125 -8.611 -10.617 1.00 0.00 N ATOM 558 CA GLN A 36 -10.227 -8.686 -11.588 1.00 0.00 C ATOM 559 C GLN A 36 -9.792 -9.212 -12.982 1.00 0.00 C ATOM 560 O GLN A 36 -10.626 -9.323 -13.879 1.00 0.00 O ATOM 561 CB GLN A 36 -10.904 -7.305 -11.703 1.00 0.00 C ATOM 562 CG GLN A 36 -11.665 -6.898 -10.430 1.00 0.00 C ATOM 563 CD GLN A 36 -12.192 -5.469 -10.532 1.00 0.00 C ATOM 564 OE1 GLN A 36 -11.492 -4.493 -10.286 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.448 -5.292 -10.900 1.00 0.00 N ATOM 0 H GLN A 36 -8.836 -7.652 -10.423 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.940 -9.419 -11.211 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.146 -6.553 -11.922 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.596 -7.315 -12.545 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.496 -7.584 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.006 -6.984 -9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.037 -6.098 -11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.829 -4.349 -10.978 1.00 0.00 H new ATOM 574 N GLY A 37 -8.511 -9.547 -13.194 1.00 0.00 N ATOM 575 CA GLY A 37 -7.959 -10.312 -14.321 1.00 0.00 C ATOM 576 C GLY A 37 -7.850 -9.575 -15.660 1.00 0.00 C ATOM 577 O GLY A 37 -6.911 -9.808 -16.418 1.00 0.00 O ATOM 0 H GLY A 37 -7.782 -9.271 -12.536 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.965 -10.661 -14.042 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.578 -11.197 -14.468 1.00 0.00 H new ATOM 581 N LYS A 38 -8.817 -8.704 -15.968 1.00 0.00 N ATOM 582 CA LYS A 38 -9.128 -8.148 -17.294 1.00 0.00 C ATOM 583 C LYS A 38 -8.141 -7.085 -17.843 1.00 0.00 C ATOM 584 O LYS A 38 -8.536 -6.245 -18.658 1.00 0.00 O ATOM 585 CB LYS A 38 -10.578 -7.628 -17.231 1.00 0.00 C ATOM 586 CG LYS A 38 -11.294 -7.768 -18.586 1.00 0.00 C ATOM 587 CD LYS A 38 -12.483 -6.805 -18.741 1.00 0.00 C ATOM 588 CE LYS A 38 -12.101 -5.321 -18.630 1.00 0.00 C ATOM 589 NZ LYS A 38 -10.925 -4.995 -19.463 1.00 0.00 N ATOM 0 H LYS A 38 -9.447 -8.343 -15.251 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.013 -8.949 -18.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.129 -8.180 -16.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.576 -6.581 -16.927 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.579 -7.586 -19.389 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.647 -8.793 -18.700 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.954 -6.977 -19.709 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.227 -7.036 -17.979 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.946 -4.704 -18.936 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.888 -5.077 -17.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.858 -3.964 -19.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.063 -5.347 -18.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.025 -5.445 -20.395 1.00 0.00 H new ATOM 603 N SER A 39 -6.886 -7.081 -17.387 1.00 0.00 N ATOM 604 CA SER A 39 -5.785 -6.201 -17.810 1.00 0.00 C ATOM 605 C SER A 39 -4.952 -6.778 -18.965 1.00 0.00 C ATOM 606 O SER A 39 -5.111 -7.943 -19.333 1.00 0.00 O ATOM 607 CB SER A 39 -4.880 -5.976 -16.594 1.00 0.00 C ATOM 608 OG SER A 39 -4.435 -7.206 -16.048 1.00 0.00 O ATOM 0 H SER A 39 -6.588 -7.735 -16.663 1.00 0.00 H new ATOM 0 HA SER A 39 -6.217 -5.271 -18.180 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.020 -5.373 -16.885 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.422 -5.413 -15.834 1.00 0.00 H new ATOM 0 HG SER A 39 -3.776 -7.611 -16.649 1.00 0.00 H new ATOM 614 N LYS A 40 -4.013 -5.989 -19.520 1.00 0.00 N ATOM 615 CA LYS A 40 -2.974 -6.500 -20.432 1.00 0.00 C ATOM 616 C LYS A 40 -1.560 -5.930 -20.209 1.00 0.00 C ATOM 617 O LYS A 40 -0.596 -6.589 -20.597 1.00 0.00 O ATOM 618 CB LYS A 40 -3.453 -6.297 -21.880 1.00 0.00 C ATOM 619 CG LYS A 40 -2.720 -7.133 -22.948 1.00 0.00 C ATOM 620 CD LYS A 40 -2.717 -8.658 -22.779 1.00 0.00 C ATOM 621 CE LYS A 40 -4.111 -9.300 -22.714 1.00 0.00 C ATOM 622 NZ LYS A 40 -4.501 -9.653 -21.329 1.00 0.00 N ATOM 0 H LYS A 40 -3.954 -4.985 -19.350 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.851 -7.560 -20.210 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.516 -6.531 -21.928 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.347 -5.242 -22.134 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.164 -6.903 -23.917 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.684 -6.797 -22.984 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.167 -9.101 -23.609 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.174 -8.908 -21.867 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.846 -8.612 -23.132 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.125 -10.197 -23.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.197 -10.425 -21.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.660 -9.960 -20.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.919 -8.822 -20.864 1.00 0.00 H new ATOM 636 N LEU A 41 -1.395 -4.780 -19.540 1.00 0.00 N ATOM 637 CA LEU A 41 -0.072 -4.216 -19.209 1.00 0.00 C ATOM 638 C LEU A 41 -0.117 -3.433 -17.888 1.00 0.00 C ATOM 639 O LEU A 41 -1.088 -2.720 -17.646 1.00 0.00 O ATOM 640 CB LEU A 41 0.365 -3.388 -20.439 1.00 0.00 C ATOM 641 CG LEU A 41 1.425 -2.275 -20.396 1.00 0.00 C ATOM 642 CD1 LEU A 41 0.961 -1.065 -19.588 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.821 -2.730 -19.977 1.00 0.00 C ATOM 0 H LEU A 41 -2.175 -4.211 -19.211 1.00 0.00 H new ATOM 0 HA LEU A 41 0.676 -4.987 -19.023 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.709 -4.107 -21.183 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.541 -2.929 -20.834 1.00 0.00 H new ATOM 0 HG LEU A 41 1.531 -1.967 -21.436 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.744 -0.306 -19.587 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.057 -0.653 -20.036 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.751 -1.371 -18.563 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.497 -1.875 -19.977 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.779 -3.159 -18.976 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.185 -3.481 -20.679 1.00 0.00 H new ATOM 655 N ILE A 42 0.936 -3.532 -17.062 1.00 0.00 N ATOM 656 CA ILE A 42 1.167 -2.690 -15.879 1.00 0.00 C ATOM 657 C ILE A 42 2.420 -1.821 -16.047 1.00 0.00 C ATOM 658 O ILE A 42 3.444 -2.292 -16.550 1.00 0.00 O ATOM 659 CB ILE A 42 1.197 -3.497 -14.556 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.464 -4.341 -14.280 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.012 -4.435 -14.459 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.513 -4.859 -12.837 1.00 0.00 C ATOM 0 H ILE A 42 1.673 -4.222 -17.204 1.00 0.00 H new ATOM 0 HA ILE A 42 0.308 -2.023 -15.802 1.00 0.00 H new ATOM 0 HB ILE A 42 1.183 -2.711 -13.801 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.493 -5.186 -14.968 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.350 -3.738 -14.478 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.032 -4.990 -13.522 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.931 -3.849 -14.491 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.002 -5.134 -15.295 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.420 -5.446 -12.692 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.512 -4.015 -12.147 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.642 -5.485 -12.645 1.00 0.00 H new ATOM 674 N ILE A 43 2.349 -0.569 -15.581 1.00 0.00 N ATOM 675 CA ILE A 43 3.506 0.321 -15.453 1.00 0.00 C ATOM 676 C ILE A 43 3.777 0.571 -13.972 1.00 0.00 C ATOM 677 O ILE A 43 2.846 0.826 -13.204 1.00 0.00 O ATOM 678 CB ILE A 43 3.317 1.692 -16.139 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.691 1.692 -17.550 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.672 2.419 -16.155 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.507 0.990 -18.635 1.00 0.00 C ATOM 0 H ILE A 43 1.474 -0.141 -15.278 1.00 0.00 H new ATOM 0 HA ILE A 43 4.336 -0.181 -15.949 1.00 0.00 H new ATOM 0 HB ILE A 43 2.570 2.211 -15.539 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.711 1.217 -17.493 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.527 2.726 -17.855 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.558 3.390 -16.636 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.022 2.560 -15.132 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.398 1.823 -16.708 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.976 1.049 -19.585 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.478 1.475 -18.731 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.650 -0.056 -18.364 1.00 0.00 H new ATOM 693 N ILE A 44 5.055 0.557 -13.592 1.00 0.00 N ATOM 694 CA ILE A 44 5.499 0.824 -12.227 1.00 0.00 C ATOM 695 C ILE A 44 6.504 1.984 -12.242 1.00 0.00 C ATOM 696 O ILE A 44 7.704 1.754 -12.377 1.00 0.00 O ATOM 697 CB ILE A 44 6.034 -0.474 -11.572 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.958 -1.592 -11.517 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.533 -0.176 -10.144 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.530 -3.004 -11.344 1.00 0.00 C ATOM 0 H ILE A 44 5.821 0.357 -14.235 1.00 0.00 H new ATOM 0 HA ILE A 44 4.665 1.142 -11.601 1.00 0.00 H new ATOM 0 HB ILE A 44 6.856 -0.832 -12.192 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.276 -1.385 -10.693 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.369 -1.560 -12.434 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.907 -1.094 -9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.334 0.562 -10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.710 0.215 -9.545 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.714 -3.726 -11.315 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.189 -3.235 -12.181 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.094 -3.056 -10.413 1.00 0.00 H new ATOM 712 N ALA A 45 6.008 3.221 -12.101 1.00 0.00 N ATOM 713 CA ALA A 45 6.755 4.424 -11.720 1.00 0.00 C ATOM 714 C ALA A 45 6.279 4.890 -10.333 1.00 0.00 C ATOM 715 O ALA A 45 5.369 5.708 -10.217 1.00 0.00 O ATOM 716 CB ALA A 45 6.608 5.527 -12.784 1.00 0.00 C ATOM 0 H ALA A 45 5.020 3.418 -12.259 1.00 0.00 H new ATOM 0 HA ALA A 45 7.819 4.193 -11.662 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.172 6.407 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.992 5.166 -13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.556 5.790 -12.893 1.00 0.00 H new ATOM 722 N ALA A 46 6.860 4.322 -9.271 1.00 0.00 N ATOM 723 CA ALA A 46 6.493 4.608 -7.883 1.00 0.00 C ATOM 724 C ALA A 46 7.628 4.239 -6.911 1.00 0.00 C ATOM 725 O ALA A 46 8.574 3.540 -7.300 1.00 0.00 O ATOM 726 CB ALA A 46 5.217 3.811 -7.566 1.00 0.00 C ATOM 0 H ALA A 46 7.612 3.638 -9.355 1.00 0.00 H new ATOM 0 HA ALA A 46 6.316 5.676 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.915 4.002 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.419 4.119 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.411 2.746 -7.696 1.00 0.00 H new ATOM 732 N ASN A 47 7.510 4.648 -5.637 1.00 0.00 N ATOM 733 CA ASN A 47 8.349 4.229 -4.504 1.00 0.00 C ATOM 734 C ASN A 47 8.226 2.707 -4.292 1.00 0.00 C ATOM 735 O ASN A 47 7.435 2.253 -3.470 1.00 0.00 O ATOM 736 CB ASN A 47 7.919 5.041 -3.259 1.00 0.00 C ATOM 737 CG ASN A 47 8.641 4.632 -1.978 1.00 0.00 C ATOM 738 OD1 ASN A 47 8.070 4.043 -1.067 1.00 0.00 O ATOM 739 ND2 ASN A 47 9.921 4.928 -1.869 1.00 0.00 N ATOM 0 H ASN A 47 6.790 5.314 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 47 9.402 4.431 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.102 6.099 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.845 4.924 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.435 4.667 -1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.397 5.418 -2.626 1.00 0.00 H new ATOM 746 N THR A 48 8.895 1.916 -5.136 1.00 0.00 N ATOM 747 CA THR A 48 8.619 0.484 -5.268 1.00 0.00 C ATOM 748 C THR A 48 9.756 -0.423 -4.766 1.00 0.00 C ATOM 749 O THR A 48 10.636 -0.761 -5.564 1.00 0.00 O ATOM 750 CB THR A 48 8.158 0.124 -6.688 1.00 0.00 C ATOM 751 OG1 THR A 48 7.335 1.126 -7.240 1.00 0.00 O ATOM 752 CG2 THR A 48 7.282 -1.115 -6.550 1.00 0.00 C ATOM 0 H THR A 48 9.641 2.250 -5.745 1.00 0.00 H new ATOM 0 HA THR A 48 7.787 0.280 -4.594 1.00 0.00 H new ATOM 0 HB THR A 48 9.033 -0.011 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.741 1.465 -8.065 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.923 -1.419 -7.534 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.864 -1.925 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.431 -0.889 -5.907 1.00 0.00 H new ATOM 760 N PRO A 49 9.762 -0.853 -3.488 1.00 0.00 N ATOM 761 CA PRO A 49 10.654 -1.906 -3.007 1.00 0.00 C ATOM 762 C PRO A 49 10.204 -3.296 -3.497 1.00 0.00 C ATOM 763 O PRO A 49 9.104 -3.461 -4.032 1.00 0.00 O ATOM 764 CB PRO A 49 10.617 -1.781 -1.479 1.00 0.00 C ATOM 765 CG PRO A 49 9.204 -1.275 -1.202 1.00 0.00 C ATOM 766 CD PRO A 49 8.901 -0.390 -2.413 1.00 0.00 C ATOM 0 HA PRO A 49 11.669 -1.796 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.804 -2.738 -0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.372 -1.085 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.493 -2.096 -1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.154 -0.712 -0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.851 -0.466 -2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.094 0.658 -2.185 1.00 0.00 H new ATOM 774 N VAL A 50 11.057 -4.309 -3.284 1.00 0.00 N ATOM 775 CA VAL A 50 10.924 -5.667 -3.844 1.00 0.00 C ATOM 776 C VAL A 50 9.547 -6.289 -3.582 1.00 0.00 C ATOM 777 O VAL A 50 8.883 -6.715 -4.522 1.00 0.00 O ATOM 778 CB VAL A 50 12.056 -6.595 -3.349 1.00 0.00 C ATOM 779 CG1 VAL A 50 11.962 -7.988 -3.987 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.441 -6.020 -3.686 1.00 0.00 C ATOM 0 H VAL A 50 11.886 -4.205 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 50 11.017 -5.561 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 50 11.935 -6.671 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.774 -8.614 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.006 -8.443 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.040 -7.898 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.214 -6.698 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.535 -5.906 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.558 -5.048 -3.207 1.00 0.00 H new ATOM 790 N LEU A 51 9.091 -6.326 -2.324 1.00 0.00 N ATOM 791 CA LEU A 51 7.795 -6.919 -1.971 1.00 0.00 C ATOM 792 C LEU A 51 6.622 -6.206 -2.668 1.00 0.00 C ATOM 793 O LEU A 51 5.706 -6.861 -3.155 1.00 0.00 O ATOM 794 CB LEU A 51 7.611 -6.913 -0.443 1.00 0.00 C ATOM 795 CG LEU A 51 8.680 -7.698 0.346 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.408 -7.562 1.846 1.00 0.00 C ATOM 797 CD2 LEU A 51 8.702 -9.187 -0.011 1.00 0.00 C ATOM 0 H LEU A 51 9.605 -5.949 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 51 7.794 -7.950 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.611 -5.880 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.631 -7.328 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 51 9.648 -7.274 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.163 -8.116 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.447 -6.510 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.420 -7.963 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.472 -9.690 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.731 -9.629 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.918 -9.303 -1.073 1.00 0.00 H new ATOM 809 N ARG A 52 6.674 -4.870 -2.752 1.00 0.00 N ATOM 810 CA ARG A 52 5.662 -4.021 -3.395 1.00 0.00 C ATOM 811 C ARG A 52 5.613 -4.291 -4.907 1.00 0.00 C ATOM 812 O ARG A 52 4.547 -4.608 -5.453 1.00 0.00 O ATOM 813 CB ARG A 52 5.976 -2.554 -3.029 1.00 0.00 C ATOM 814 CG ARG A 52 4.803 -1.592 -3.250 1.00 0.00 C ATOM 815 CD ARG A 52 5.053 -0.167 -2.733 1.00 0.00 C ATOM 816 NE ARG A 52 5.169 -0.110 -1.260 1.00 0.00 N ATOM 817 CZ ARG A 52 5.745 0.840 -0.525 1.00 0.00 C ATOM 818 NH1 ARG A 52 6.397 1.842 -1.059 1.00 0.00 N ATOM 819 NH2 ARG A 52 5.679 0.798 0.784 1.00 0.00 N ATOM 0 H ARG A 52 7.448 -4.332 -2.361 1.00 0.00 H new ATOM 0 HA ARG A 52 4.659 -4.250 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.278 -2.508 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.826 -2.216 -3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.581 -1.546 -4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.919 -1.996 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.967 0.223 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.238 0.481 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 52 4.760 -0.890 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.478 1.915 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.824 2.549 -0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.184 0.035 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.122 1.529 1.341 1.00 0.00 H new ATOM 833 N LYS A 53 6.784 -4.228 -5.574 1.00 0.00 N ATOM 834 CA LYS A 53 6.873 -4.517 -7.010 1.00 0.00 C ATOM 835 C LYS A 53 6.355 -5.925 -7.267 1.00 0.00 C ATOM 836 O LYS A 53 5.514 -6.110 -8.140 1.00 0.00 O ATOM 837 CB LYS A 53 8.272 -4.286 -7.637 1.00 0.00 C ATOM 838 CG LYS A 53 9.282 -5.445 -7.579 1.00 0.00 C ATOM 839 CD LYS A 53 10.534 -5.232 -8.440 1.00 0.00 C ATOM 840 CE LYS A 53 11.428 -6.482 -8.501 1.00 0.00 C ATOM 841 NZ LYS A 53 10.698 -7.717 -8.897 1.00 0.00 N ATOM 0 H LYS A 53 7.673 -3.981 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 53 6.242 -3.789 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.130 -4.017 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.722 -3.424 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.588 -5.594 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.786 -6.361 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.233 -4.955 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.109 -4.397 -8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.238 -6.305 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.887 -6.638 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.381 -8.479 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.059 -8.004 -8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.143 -7.532 -9.757 1.00 0.00 H new ATOM 855 N SER A 54 6.831 -6.899 -6.481 1.00 0.00 N ATOM 856 CA SER A 54 6.550 -8.296 -6.749 1.00 0.00 C ATOM 857 C SER A 54 5.144 -8.722 -6.330 1.00 0.00 C ATOM 858 O SER A 54 4.654 -9.682 -6.910 1.00 0.00 O ATOM 859 CB SER A 54 7.672 -9.221 -6.269 1.00 0.00 C ATOM 860 OG SER A 54 8.825 -9.014 -7.081 1.00 0.00 O ATOM 0 H SER A 54 7.411 -6.735 -5.658 1.00 0.00 H new ATOM 0 HA SER A 54 6.541 -8.409 -7.833 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.906 -9.018 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.353 -10.262 -6.327 1.00 0.00 H new ATOM 0 HG SER A 54 8.699 -9.455 -7.947 1.00 0.00 H new ATOM 866 N GLU A 55 4.426 -7.978 -5.470 1.00 0.00 N ATOM 867 CA GLU A 55 2.962 -8.096 -5.384 1.00 0.00 C ATOM 868 C GLU A 55 2.323 -7.728 -6.736 1.00 0.00 C ATOM 869 O GLU A 55 1.544 -8.515 -7.272 1.00 0.00 O ATOM 870 CB GLU A 55 2.364 -7.219 -4.254 1.00 0.00 C ATOM 871 CG GLU A 55 1.083 -7.837 -3.652 1.00 0.00 C ATOM 872 CD GLU A 55 0.026 -6.839 -3.119 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.329 -5.654 -2.829 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.166 -7.232 -3.029 1.00 0.00 O ATOM 0 H GLU A 55 4.832 -7.295 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 55 2.734 -9.134 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.106 -7.088 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.137 -6.228 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.613 -8.459 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.373 -8.497 -2.835 1.00 0.00 H new ATOM 881 N LEU A 56 2.671 -6.563 -7.318 1.00 0.00 N ATOM 882 CA LEU A 56 2.097 -6.159 -8.622 1.00 0.00 C ATOM 883 C LEU A 56 2.422 -7.155 -9.743 1.00 0.00 C ATOM 884 O LEU A 56 1.560 -7.548 -10.529 1.00 0.00 O ATOM 885 CB LEU A 56 2.530 -4.736 -9.015 1.00 0.00 C ATOM 886 CG LEU A 56 2.079 -3.613 -8.062 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.713 -2.385 -8.886 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.837 -3.947 -7.240 1.00 0.00 C ATOM 0 H LEU A 56 3.332 -5.897 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 56 1.015 -6.163 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.618 -4.713 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.142 -4.520 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 56 2.915 -3.457 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.392 -1.583 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.582 -2.057 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.903 -2.635 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.589 -3.103 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.001 -4.151 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.033 -4.826 -6.626 1.00 0.00 H new ATOM 900 N GLU A 57 3.677 -7.583 -9.758 1.00 0.00 N ATOM 901 CA GLU A 57 4.269 -8.605 -10.634 1.00 0.00 C ATOM 902 C GLU A 57 3.529 -9.953 -10.499 1.00 0.00 C ATOM 903 O GLU A 57 3.233 -10.599 -11.506 1.00 0.00 O ATOM 904 CB GLU A 57 5.737 -8.716 -10.207 1.00 0.00 C ATOM 905 CG GLU A 57 6.831 -9.178 -11.164 1.00 0.00 C ATOM 906 CD GLU A 57 8.173 -8.840 -10.482 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.459 -9.403 -9.395 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.877 -7.896 -10.930 1.00 0.00 O ATOM 0 H GLU A 57 4.367 -7.200 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 57 4.186 -8.331 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.033 -7.731 -9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.764 -9.391 -9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.752 -10.248 -11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.745 -8.672 -12.126 1.00 0.00 H new ATOM 915 N TYR A 58 3.164 -10.355 -9.271 1.00 0.00 N ATOM 916 CA TYR A 58 2.342 -11.538 -9.000 1.00 0.00 C ATOM 917 C TYR A 58 0.977 -11.439 -9.685 1.00 0.00 C ATOM 918 O TYR A 58 0.537 -12.395 -10.321 1.00 0.00 O ATOM 919 CB TYR A 58 2.168 -11.744 -7.486 1.00 0.00 C ATOM 920 CG TYR A 58 1.885 -13.174 -7.083 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.970 -14.049 -6.886 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.569 -13.617 -6.860 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.746 -15.381 -6.492 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.340 -14.943 -6.443 1.00 0.00 C ATOM 925 CZ TYR A 58 1.424 -15.829 -6.269 1.00 0.00 C ATOM 926 OH TYR A 58 1.188 -17.111 -5.880 1.00 0.00 O ATOM 0 H TYR A 58 3.439 -9.855 -8.425 1.00 0.00 H new ATOM 0 HA TYR A 58 2.862 -12.402 -9.412 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.072 -11.408 -6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.352 -11.112 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.979 -13.696 -7.038 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.262 -12.944 -7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.578 -16.057 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.668 -15.282 -6.256 1.00 0.00 H new ATOM 0 HH TYR A 58 0.224 -17.248 -5.771 1.00 0.00 H new ATOM 936 N TYR A 59 0.303 -10.287 -9.605 1.00 0.00 N ATOM 937 CA TYR A 59 -0.973 -10.112 -10.305 1.00 0.00 C ATOM 938 C TYR A 59 -0.816 -9.969 -11.822 1.00 0.00 C ATOM 939 O TYR A 59 -1.689 -10.439 -12.555 1.00 0.00 O ATOM 940 CB TYR A 59 -1.747 -8.934 -9.736 1.00 0.00 C ATOM 941 CG TYR A 59 -1.920 -8.984 -8.237 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.562 -10.075 -7.622 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.389 -7.947 -7.459 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.674 -10.131 -6.220 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.505 -7.996 -6.063 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.165 -9.072 -5.435 1.00 0.00 C ATOM 947 OH TYR A 59 -2.381 -9.053 -4.088 1.00 0.00 O ATOM 0 H TYR A 59 0.613 -9.475 -9.072 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.540 -11.027 -10.136 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.232 -8.011 -10.002 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.730 -8.897 -10.205 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.970 -10.871 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.892 -7.113 -7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.147 -10.979 -5.747 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.085 -7.202 -5.463 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.255 -8.142 -3.749 1.00 0.00 H new ATOM 957 N ALA A 60 0.289 -9.394 -12.315 1.00 0.00 N ATOM 958 CA ALA A 60 0.649 -9.456 -13.731 1.00 0.00 C ATOM 959 C ALA A 60 0.774 -10.914 -14.236 1.00 0.00 C ATOM 960 O ALA A 60 0.353 -11.216 -15.353 1.00 0.00 O ATOM 961 CB ALA A 60 1.928 -8.658 -13.980 1.00 0.00 C ATOM 0 H ALA A 60 0.955 -8.875 -11.742 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.158 -9.003 -14.307 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.189 -8.709 -15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.769 -7.618 -13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.740 -9.077 -13.385 1.00 0.00 H new ATOM 967 N MET A 61 1.312 -11.811 -13.391 1.00 0.00 N ATOM 968 CA MET A 61 1.436 -13.260 -13.611 1.00 0.00 C ATOM 969 C MET A 61 0.114 -14.039 -13.446 1.00 0.00 C ATOM 970 O MET A 61 -0.135 -14.955 -14.235 1.00 0.00 O ATOM 971 CB MET A 61 2.549 -13.785 -12.680 1.00 0.00 C ATOM 972 CG MET A 61 2.762 -15.307 -12.673 1.00 0.00 C ATOM 973 SD MET A 61 1.589 -16.314 -11.708 1.00 0.00 S ATOM 974 CE MET A 61 1.895 -15.727 -10.019 1.00 0.00 C ATOM 0 H MET A 61 1.692 -11.528 -12.488 1.00 0.00 H new ATOM 0 HA MET A 61 1.702 -13.430 -14.654 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.487 -13.308 -12.964 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.324 -13.465 -11.662 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.735 -15.656 -13.705 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.765 -15.505 -12.296 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.502 -16.451 -9.305 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.967 -15.610 -9.863 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.400 -14.767 -9.872 1.00 0.00 H new ATOM 984 N LEU A 62 -0.728 -13.712 -12.450 1.00 0.00 N ATOM 985 CA LEU A 62 -2.050 -14.330 -12.249 1.00 0.00 C ATOM 986 C LEU A 62 -3.042 -13.932 -13.349 1.00 0.00 C ATOM 987 O LEU A 62 -3.620 -14.807 -14.000 1.00 0.00 O ATOM 988 CB LEU A 62 -2.635 -13.969 -10.872 1.00 0.00 C ATOM 989 CG LEU A 62 -1.986 -14.651 -9.653 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.728 -14.171 -8.401 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.072 -16.180 -9.704 1.00 0.00 C ATOM 0 H LEU A 62 -0.506 -13.001 -11.753 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.897 -15.408 -12.297 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.559 -12.890 -10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.697 -14.215 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.929 -14.385 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.291 -14.637 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.641 -13.087 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.780 -14.446 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.597 -16.601 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.118 -16.485 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.562 -16.544 -10.596 1.00 0.00 H new ATOM 1003 N SER A 63 -3.191 -12.626 -13.609 1.00 0.00 N ATOM 1004 CA SER A 63 -3.717 -12.128 -14.888 1.00 0.00 C ATOM 1005 C SER A 63 -2.774 -12.530 -16.038 1.00 0.00 C ATOM 1006 O SER A 63 -1.828 -13.290 -15.839 1.00 0.00 O ATOM 1007 CB SER A 63 -3.949 -10.610 -14.826 1.00 0.00 C ATOM 1008 OG SER A 63 -2.725 -9.905 -14.791 1.00 0.00 O ATOM 0 H SER A 63 -2.953 -11.890 -12.945 1.00 0.00 H new ATOM 0 HA SER A 63 -4.686 -12.587 -15.082 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.529 -10.293 -15.693 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.537 -10.366 -13.942 1.00 0.00 H new ATOM 0 HG SER A 63 -2.447 -9.777 -13.860 1.00 0.00 H new ATOM 1014 N LYS A 64 -3.034 -12.096 -17.274 1.00 0.00 N ATOM 1015 CA LYS A 64 -2.119 -12.358 -18.397 1.00 0.00 C ATOM 1016 C LYS A 64 -1.689 -11.029 -18.998 1.00 0.00 C ATOM 1017 O LYS A 64 -2.336 -10.509 -19.908 1.00 0.00 O ATOM 1018 CB LYS A 64 -2.713 -13.407 -19.358 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.955 -14.770 -18.664 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.667 -15.519 -18.263 1.00 0.00 C ATOM 1021 CE LYS A 64 -1.919 -16.625 -17.227 1.00 0.00 C ATOM 1022 NZ LYS A 64 -2.009 -16.105 -15.839 1.00 0.00 N ATOM 0 H LYS A 64 -3.867 -11.563 -17.526 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.194 -12.833 -18.070 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.655 -13.035 -19.761 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.038 -13.547 -20.202 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.559 -14.607 -17.771 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.537 -15.405 -19.331 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.215 -15.957 -19.153 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.948 -14.806 -17.859 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.844 -17.145 -17.476 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.115 -17.359 -17.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.574 -16.758 -15.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.054 -16.023 -15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.462 -15.169 -15.848 1.00 0.00 H new ATOM 1036 N THR A 65 -0.646 -10.458 -18.387 1.00 0.00 N ATOM 1037 CA THR A 65 -0.369 -9.020 -18.366 1.00 0.00 C ATOM 1038 C THR A 65 1.144 -8.755 -18.419 1.00 0.00 C ATOM 1039 O THR A 65 1.908 -9.379 -17.686 1.00 0.00 O ATOM 1040 CB THR A 65 -0.957 -8.469 -17.056 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.362 -8.612 -16.999 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.665 -7.011 -16.758 1.00 0.00 C ATOM 0 H THR A 65 0.050 -11.002 -17.878 1.00 0.00 H new ATOM 0 HA THR A 65 -0.815 -8.533 -19.233 1.00 0.00 H new ATOM 0 HB THR A 65 -0.448 -9.079 -16.309 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.623 -8.923 -16.107 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.128 -6.733 -15.811 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.413 -6.862 -16.692 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.069 -6.388 -17.556 1.00 0.00 H new ATOM 1050 N LYS A 66 1.584 -7.809 -19.260 1.00 0.00 N ATOM 1051 CA LYS A 66 2.986 -7.372 -19.381 1.00 0.00 C ATOM 1052 C LYS A 66 3.374 -6.403 -18.243 1.00 0.00 C ATOM 1053 O LYS A 66 2.518 -5.697 -17.717 1.00 0.00 O ATOM 1054 CB LYS A 66 3.138 -6.719 -20.770 1.00 0.00 C ATOM 1055 CG LYS A 66 4.562 -6.248 -21.112 1.00 0.00 C ATOM 1056 CD LYS A 66 4.618 -5.550 -22.475 1.00 0.00 C ATOM 1057 CE LYS A 66 4.638 -6.512 -23.672 1.00 0.00 C ATOM 1058 NZ LYS A 66 4.314 -5.774 -24.913 1.00 0.00 N ATOM 0 H LYS A 66 0.959 -7.311 -19.894 1.00 0.00 H new ATOM 0 HA LYS A 66 3.663 -8.221 -19.289 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.815 -7.433 -21.528 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.464 -5.864 -20.829 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.915 -5.565 -20.339 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.237 -7.104 -21.114 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.756 -4.889 -22.568 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.508 -4.921 -22.513 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.620 -6.977 -23.760 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.918 -7.315 -23.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.572 -6.352 -25.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.295 -5.569 -24.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.847 -4.881 -24.935 1.00 0.00 H new ATOM 1072 N VAL A 67 4.665 -6.326 -17.891 1.00 0.00 N ATOM 1073 CA VAL A 67 5.208 -5.456 -16.829 1.00 0.00 C ATOM 1074 C VAL A 67 6.242 -4.473 -17.392 1.00 0.00 C ATOM 1075 O VAL A 67 7.176 -4.885 -18.078 1.00 0.00 O ATOM 1076 CB VAL A 67 5.847 -6.304 -15.708 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.245 -5.441 -14.501 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.894 -7.403 -15.223 1.00 0.00 C ATOM 0 H VAL A 67 5.386 -6.883 -18.350 1.00 0.00 H new ATOM 0 HA VAL A 67 4.379 -4.883 -16.414 1.00 0.00 H new ATOM 0 HB VAL A 67 6.739 -6.757 -16.140 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.691 -6.073 -13.733 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.967 -4.687 -14.815 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.360 -4.950 -14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.376 -7.981 -14.434 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.982 -6.949 -14.835 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.645 -8.062 -16.055 1.00 0.00 H new ATOM 1088 N TYR A 68 6.099 -3.182 -17.067 1.00 0.00 N ATOM 1089 CA TYR A 68 6.993 -2.108 -17.506 1.00 0.00 C ATOM 1090 C TYR A 68 7.530 -1.291 -16.317 1.00 0.00 C ATOM 1091 O TYR A 68 6.809 -0.516 -15.681 1.00 0.00 O ATOM 1092 CB TYR A 68 6.254 -1.233 -18.517 1.00 0.00 C ATOM 1093 CG TYR A 68 7.145 -0.286 -19.294 1.00 0.00 C ATOM 1094 CD1 TYR A 68 7.502 0.964 -18.753 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.614 -0.661 -20.565 1.00 0.00 C ATOM 1096 CE1 TYR A 68 8.351 1.834 -19.466 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.451 0.209 -21.283 1.00 0.00 C ATOM 1098 CZ TYR A 68 8.835 1.452 -20.738 1.00 0.00 C ATOM 1099 OH TYR A 68 9.665 2.245 -21.471 1.00 0.00 O ATOM 0 H TYR A 68 5.338 -2.849 -16.476 1.00 0.00 H new ATOM 0 HA TYR A 68 7.869 -2.543 -17.988 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.728 -1.878 -19.221 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.497 -0.651 -17.991 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.123 1.258 -17.785 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.332 -1.614 -20.988 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.630 2.788 -19.043 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.804 -0.077 -22.263 1.00 0.00 H new ATOM 0 HH TYR A 68 9.315 2.331 -22.382 1.00 0.00 H new ATOM 1109 N TYR A 69 8.816 -1.476 -16.008 1.00 0.00 N ATOM 1110 CA TYR A 69 9.504 -0.800 -14.909 1.00 0.00 C ATOM 1111 C TYR A 69 9.992 0.607 -15.292 1.00 0.00 C ATOM 1112 O TYR A 69 10.866 0.782 -16.146 1.00 0.00 O ATOM 1113 CB TYR A 69 10.622 -1.702 -14.373 1.00 0.00 C ATOM 1114 CG TYR A 69 10.068 -2.779 -13.460 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.562 -2.392 -12.207 1.00 0.00 C ATOM 1116 CD2 TYR A 69 9.978 -4.127 -13.870 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.933 -3.335 -11.383 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.367 -5.083 -13.030 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.823 -4.682 -11.787 1.00 0.00 C ATOM 1120 OH TYR A 69 8.189 -5.569 -10.973 1.00 0.00 O ATOM 0 H TYR A 69 9.419 -2.114 -16.527 1.00 0.00 H new ATOM 0 HA TYR A 69 8.790 -0.632 -14.102 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.151 -2.165 -15.206 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.350 -1.100 -13.829 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.658 -1.367 -11.879 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.377 -4.427 -14.828 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.529 -3.028 -10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.315 -6.118 -13.335 1.00 0.00 H new ATOM 0 HH TYR A 69 8.428 -6.482 -11.235 1.00 0.00 H new ATOM 1130 N PHE A 70 9.408 1.609 -14.621 1.00 0.00 N ATOM 1131 CA PHE A 70 9.611 3.047 -14.813 1.00 0.00 C ATOM 1132 C PHE A 70 9.901 3.771 -13.468 1.00 0.00 C ATOM 1133 O PHE A 70 9.907 5.000 -13.366 1.00 0.00 O ATOM 1134 CB PHE A 70 8.401 3.562 -15.603 1.00 0.00 C ATOM 1135 CG PHE A 70 8.458 4.938 -16.257 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.562 5.813 -16.158 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.351 5.321 -17.035 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.511 7.085 -16.755 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.325 6.573 -17.671 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.386 7.470 -17.503 1.00 0.00 C ATOM 0 H PHE A 70 8.735 1.420 -13.878 1.00 0.00 H new ATOM 0 HA PHE A 70 10.507 3.265 -15.395 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.192 2.836 -16.389 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.545 3.557 -14.928 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.448 5.504 -15.622 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.514 4.647 -17.144 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.339 7.768 -16.638 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.484 6.844 -18.292 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.340 8.454 -17.946 1.00 0.00 H new ATOM 1150 N GLN A 71 10.216 3.019 -12.405 1.00 0.00 N ATOM 1151 CA GLN A 71 10.616 3.551 -11.098 1.00 0.00 C ATOM 1152 C GLN A 71 11.974 4.286 -11.108 1.00 0.00 C ATOM 1153 O GLN A 71 12.310 4.927 -10.116 1.00 0.00 O ATOM 1154 CB GLN A 71 10.507 2.456 -10.022 1.00 0.00 C ATOM 1155 CG GLN A 71 11.426 1.241 -10.197 1.00 0.00 C ATOM 1156 CD GLN A 71 11.135 0.204 -9.112 1.00 0.00 C ATOM 1157 OE1 GLN A 71 10.406 -0.751 -9.327 1.00 0.00 O ATOM 1158 NE2 GLN A 71 11.652 0.394 -7.910 1.00 0.00 N ATOM 0 H GLN A 71 10.199 2.000 -12.432 1.00 0.00 H new ATOM 0 HA GLN A 71 9.910 4.339 -10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.716 2.907 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.476 2.104 -9.994 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.276 0.800 -11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.469 1.553 -10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.260 1.194 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.442 -0.260 -7.156 1.00 0.00 H new ATOM 1167 N GLY A 72 12.690 4.278 -12.243 1.00 0.00 N ATOM 1168 CA GLY A 72 13.810 5.172 -12.563 1.00 0.00 C ATOM 1169 C GLY A 72 13.397 6.522 -13.180 1.00 0.00 C ATOM 1170 O GLY A 72 14.258 7.336 -13.516 1.00 0.00 O ATOM 0 H GLY A 72 12.494 3.618 -12.996 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.378 5.362 -11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.480 4.661 -13.255 1.00 0.00 H new ATOM 1174 N GLY A 73 12.093 6.770 -13.361 1.00 0.00 N ATOM 1175 CA GLY A 73 11.496 8.095 -13.565 1.00 0.00 C ATOM 1176 C GLY A 73 10.642 8.515 -12.363 1.00 0.00 C ATOM 1177 O GLY A 73 10.710 9.670 -11.936 1.00 0.00 O ATOM 0 H GLY A 73 11.398 6.023 -13.370 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.284 8.830 -13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.880 8.084 -14.464 1.00 0.00 H new ATOM 1181 N ASN A 74 9.898 7.557 -11.791 1.00 0.00 N ATOM 1182 CA ASN A 74 9.201 7.593 -10.498 1.00 0.00 C ATOM 1183 C ASN A 74 8.127 8.688 -10.356 1.00 0.00 C ATOM 1184 O ASN A 74 6.943 8.377 -10.320 1.00 0.00 O ATOM 1185 CB ASN A 74 10.233 7.585 -9.350 1.00 0.00 C ATOM 1186 CG ASN A 74 9.790 6.637 -8.256 1.00 0.00 C ATOM 1187 OD1 ASN A 74 8.834 6.883 -7.541 1.00 0.00 O ATOM 1188 ND2 ASN A 74 10.430 5.490 -8.156 1.00 0.00 N ATOM 0 H ASN A 74 9.757 6.663 -12.261 1.00 0.00 H new ATOM 0 HA ASN A 74 8.605 6.682 -10.439 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.209 7.283 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.346 8.591 -8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.127 4.795 -7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.228 5.297 -8.761 1.00 0.00 H new ATOM 1195 N ASN A 75 8.539 9.958 -10.308 1.00 0.00 N ATOM 1196 CA ASN A 75 7.664 11.134 -10.362 1.00 0.00 C ATOM 1197 C ASN A 75 6.948 11.293 -11.719 1.00 0.00 C ATOM 1198 O ASN A 75 5.986 12.047 -11.844 1.00 0.00 O ATOM 1199 CB ASN A 75 8.500 12.392 -10.050 1.00 0.00 C ATOM 1200 CG ASN A 75 9.154 13.031 -11.276 1.00 0.00 C ATOM 1201 OD1 ASN A 75 8.748 14.095 -11.728 1.00 0.00 O ATOM 1202 ND2 ASN A 75 10.139 12.411 -11.898 1.00 0.00 N ATOM 0 H ASN A 75 9.525 10.205 -10.228 1.00 0.00 H new ATOM 0 HA ASN A 75 6.880 10.998 -9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.859 13.130 -9.568 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.278 12.129 -9.333 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.548 12.819 -12.739 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.491 11.524 -11.538 1.00 0.00 H new ATOM 1209 N GLU A 76 7.491 10.650 -12.755 1.00 0.00 N ATOM 1210 CA GLU A 76 7.031 10.758 -14.131 1.00 0.00 C ATOM 1211 C GLU A 76 5.742 9.955 -14.397 1.00 0.00 C ATOM 1212 O GLU A 76 5.096 9.463 -13.471 1.00 0.00 O ATOM 1213 CB GLU A 76 8.201 10.393 -15.075 1.00 0.00 C ATOM 1214 CG GLU A 76 8.635 11.594 -15.928 1.00 0.00 C ATOM 1215 CD GLU A 76 7.445 12.178 -16.692 1.00 0.00 C ATOM 1216 OE1 GLU A 76 6.819 11.413 -17.455 1.00 0.00 O ATOM 1217 OE2 GLU A 76 7.051 13.334 -16.400 1.00 0.00 O ATOM 0 H GLU A 76 8.288 10.022 -12.650 1.00 0.00 H new ATOM 0 HA GLU A 76 6.738 11.788 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.047 10.039 -14.486 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.901 9.573 -15.727 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.073 12.360 -15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.408 11.285 -16.632 1.00 0.00 H new ATOM 1224 N LEU A 77 5.326 9.882 -15.669 1.00 0.00 N ATOM 1225 CA LEU A 77 4.151 9.172 -16.183 1.00 0.00 C ATOM 1226 C LEU A 77 2.799 9.763 -15.744 1.00 0.00 C ATOM 1227 O LEU A 77 1.864 9.703 -16.537 1.00 0.00 O ATOM 1228 CB LEU A 77 4.283 7.675 -15.868 1.00 0.00 C ATOM 1229 CG LEU A 77 3.263 6.768 -16.576 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.571 6.543 -18.056 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.315 5.418 -15.882 1.00 0.00 C ATOM 0 H LEU A 77 5.839 10.351 -16.416 1.00 0.00 H new ATOM 0 HA LEU A 77 4.139 9.309 -17.264 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.287 7.349 -16.141 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.184 7.536 -14.791 1.00 0.00 H new ATOM 0 HG LEU A 77 2.288 7.252 -16.521 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.811 5.894 -18.491 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.573 7.500 -18.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.550 6.074 -18.157 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.604 4.739 -16.353 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.320 5.005 -15.964 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.058 5.540 -14.830 1.00 0.00 H new ATOM 1243 N GLY A 78 2.701 10.444 -14.593 1.00 0.00 N ATOM 1244 CA GLY A 78 1.621 11.404 -14.289 1.00 0.00 C ATOM 1245 C GLY A 78 1.386 12.392 -15.440 1.00 0.00 C ATOM 1246 O GLY A 78 0.244 12.687 -15.797 1.00 0.00 O ATOM 0 H GLY A 78 3.376 10.345 -13.835 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.699 10.859 -14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.872 11.956 -13.383 1.00 0.00 H new ATOM 1250 N THR A 79 2.490 12.805 -16.076 1.00 0.00 N ATOM 1251 CA THR A 79 2.595 13.566 -17.327 1.00 0.00 C ATOM 1252 C THR A 79 1.822 12.929 -18.493 1.00 0.00 C ATOM 1253 O THR A 79 1.237 13.649 -19.295 1.00 0.00 O ATOM 1254 CB THR A 79 4.091 13.685 -17.689 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.808 14.173 -16.572 1.00 0.00 O ATOM 1256 CG2 THR A 79 4.372 14.631 -18.856 1.00 0.00 C ATOM 0 H THR A 79 3.413 12.597 -15.695 1.00 0.00 H new ATOM 0 HA THR A 79 2.144 14.545 -17.166 1.00 0.00 H new ATOM 0 HB THR A 79 4.405 12.684 -17.983 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.770 14.075 -16.732 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.444 14.661 -19.050 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.852 14.276 -19.746 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.020 15.632 -18.606 1.00 0.00 H new ATOM 1264 N ALA A 80 1.819 11.593 -18.595 1.00 0.00 N ATOM 1265 CA ALA A 80 1.138 10.826 -19.637 1.00 0.00 C ATOM 1266 C ALA A 80 -0.297 10.429 -19.252 1.00 0.00 C ATOM 1267 O ALA A 80 -1.211 10.585 -20.060 1.00 0.00 O ATOM 1268 CB ALA A 80 1.975 9.583 -19.956 1.00 0.00 C ATOM 0 H ALA A 80 2.310 10.998 -17.927 1.00 0.00 H new ATOM 0 HA ALA A 80 1.046 11.462 -20.518 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.479 9.000 -20.732 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.961 9.888 -20.305 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.081 8.975 -19.057 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.514 9.916 -18.030 1.00 0.00 N ATOM 1275 CA VAL A 81 -1.858 9.533 -17.558 1.00 0.00 C ATOM 1276 C VAL A 81 -2.754 10.740 -17.267 1.00 0.00 C ATOM 1277 O VAL A 81 -3.965 10.570 -17.128 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.833 8.572 -16.352 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.040 7.302 -16.672 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.266 9.181 -15.067 1.00 0.00 C ATOM 0 H VAL A 81 0.227 9.756 -17.347 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.297 8.988 -18.394 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.883 8.342 -16.170 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.040 6.644 -15.803 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.501 6.788 -17.516 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.014 7.568 -16.925 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.286 8.436 -14.272 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.238 9.501 -15.239 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.869 10.040 -14.775 1.00 0.00 H new ATOM 1290 N GLY A 82 -2.184 11.951 -17.192 1.00 0.00 N ATOM 1291 CA GLY A 82 -2.918 13.214 -17.191 1.00 0.00 C ATOM 1292 C GLY A 82 -3.652 13.430 -15.874 1.00 0.00 C ATOM 1293 O GLY A 82 -4.886 13.419 -15.845 1.00 0.00 O ATOM 0 H GLY A 82 -1.174 12.077 -17.129 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.226 14.039 -17.363 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.633 13.221 -18.013 1.00 0.00 H new ATOM 1297 N LYS A 83 -2.883 13.562 -14.786 1.00 0.00 N ATOM 1298 CA LYS A 83 -3.374 13.733 -13.412 1.00 0.00 C ATOM 1299 C LYS A 83 -2.492 14.720 -12.640 1.00 0.00 C ATOM 1300 O LYS A 83 -1.357 14.982 -13.029 1.00 0.00 O ATOM 1301 CB LYS A 83 -3.402 12.368 -12.692 1.00 0.00 C ATOM 1302 CG LYS A 83 -4.243 11.278 -13.380 1.00 0.00 C ATOM 1303 CD LYS A 83 -5.754 11.558 -13.366 1.00 0.00 C ATOM 1304 CE LYS A 83 -6.533 10.638 -14.316 1.00 0.00 C ATOM 1305 NZ LYS A 83 -6.261 10.939 -15.744 1.00 0.00 N ATOM 0 H LYS A 83 -1.864 13.552 -14.840 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.385 14.138 -13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.378 12.006 -12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.785 12.516 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.912 11.175 -14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.055 10.323 -12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.134 11.433 -12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.930 12.597 -13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.270 9.601 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.601 10.741 -14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.940 10.427 -16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.357 11.961 -15.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.294 10.640 -15.984 1.00 0.00 H new ATOM 1319 N LEU A 84 -3.015 15.241 -11.524 1.00 0.00 N ATOM 1320 CA LEU A 84 -2.316 16.211 -10.670 1.00 0.00 C ATOM 1321 C LEU A 84 -1.135 15.600 -9.897 1.00 0.00 C ATOM 1322 O LEU A 84 -0.185 16.303 -9.562 1.00 0.00 O ATOM 1323 CB LEU A 84 -3.315 16.848 -9.683 1.00 0.00 C ATOM 1324 CG LEU A 84 -4.492 17.605 -10.331 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -5.432 18.117 -9.238 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -4.028 18.798 -11.174 1.00 0.00 C ATOM 0 H LEU A 84 -3.946 14.999 -11.184 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.897 16.970 -11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.718 16.063 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.772 17.538 -9.038 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.002 16.903 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.264 18.652 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.815 17.274 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.888 18.790 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.895 19.296 -11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.484 19.500 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.374 18.447 -11.972 1.00 0.00 H new ATOM 1338 N PHE A 85 -1.187 14.295 -9.612 1.00 0.00 N ATOM 1339 CA PHE A 85 -0.145 13.577 -8.890 1.00 0.00 C ATOM 1340 C PHE A 85 1.008 13.160 -9.809 1.00 0.00 C ATOM 1341 O PHE A 85 0.853 12.339 -10.712 1.00 0.00 O ATOM 1342 CB PHE A 85 -0.738 12.388 -8.124 1.00 0.00 C ATOM 1343 CG PHE A 85 -1.814 11.578 -8.834 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -1.472 10.479 -9.645 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -3.171 11.908 -8.643 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -2.481 9.694 -10.232 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -4.179 11.120 -9.226 1.00 0.00 C ATOM 1348 CZ PHE A 85 -3.834 10.007 -10.011 1.00 0.00 C ATOM 0 H PHE A 85 -1.971 13.702 -9.884 1.00 0.00 H new ATOM 0 HA PHE A 85 0.285 14.259 -8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.077 11.713 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.156 12.761 -7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.433 10.238 -9.817 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.437 12.769 -8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.216 8.851 -10.853 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.218 11.370 -9.070 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.608 9.392 -10.445 1.00 0.00 H new ATOM 1358 N ARG A 86 2.195 13.714 -9.537 1.00 0.00 N ATOM 1359 CA ARG A 86 3.466 13.289 -10.136 1.00 0.00 C ATOM 1360 C ARG A 86 3.942 11.957 -9.542 1.00 0.00 C ATOM 1361 O ARG A 86 4.874 11.910 -8.742 1.00 0.00 O ATOM 1362 CB ARG A 86 4.520 14.406 -10.020 1.00 0.00 C ATOM 1363 CG ARG A 86 4.186 15.584 -10.954 1.00 0.00 C ATOM 1364 CD ARG A 86 5.431 16.387 -11.361 1.00 0.00 C ATOM 1365 NE ARG A 86 6.371 15.596 -12.183 1.00 0.00 N ATOM 1366 CZ ARG A 86 6.238 15.201 -13.442 1.00 0.00 C ATOM 1367 NH1 ARG A 86 5.191 15.508 -14.172 1.00 0.00 N ATOM 1368 NH2 ARG A 86 7.191 14.478 -13.971 1.00 0.00 N ATOM 0 H ARG A 86 2.301 14.487 -8.880 1.00 0.00 H new ATOM 0 HA ARG A 86 3.309 13.110 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.569 14.758 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.504 14.009 -10.269 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.694 15.204 -11.850 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.477 16.247 -10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.123 17.272 -11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.943 16.737 -10.464 1.00 0.00 H new ATOM 0 HE ARG A 86 7.236 15.317 -11.721 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.439 16.071 -13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.129 15.183 -15.137 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.011 14.231 -13.417 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.114 14.161 -14.937 1.00 0.00 H new ATOM 1382 N VAL A 87 3.263 10.878 -9.940 1.00 0.00 N ATOM 1383 CA VAL A 87 3.639 9.468 -9.768 1.00 0.00 C ATOM 1384 C VAL A 87 2.889 8.637 -10.824 1.00 0.00 C ATOM 1385 O VAL A 87 1.910 9.120 -11.399 1.00 0.00 O ATOM 1386 CB VAL A 87 3.349 9.003 -8.319 1.00 0.00 C ATOM 1387 CG1 VAL A 87 1.852 8.879 -8.005 1.00 0.00 C ATOM 1388 CG2 VAL A 87 4.047 7.684 -7.964 1.00 0.00 C ATOM 0 H VAL A 87 2.371 10.971 -10.426 1.00 0.00 H new ATOM 0 HA VAL A 87 4.710 9.331 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 87 3.763 9.798 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.723 8.549 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.371 9.848 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.398 8.152 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.806 7.410 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.706 6.899 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.126 7.805 -8.064 1.00 0.00 H new ATOM 1398 N GLY A 88 3.302 7.390 -11.072 1.00 0.00 N ATOM 1399 CA GLY A 88 2.712 6.559 -12.119 1.00 0.00 C ATOM 1400 C GLY A 88 2.823 5.055 -11.879 1.00 0.00 C ATOM 1401 O GLY A 88 3.496 4.357 -12.636 1.00 0.00 O ATOM 0 H GLY A 88 4.052 6.932 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.659 6.820 -12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.193 6.798 -13.068 1.00 0.00 H new ATOM 1405 N VAL A 89 2.090 4.528 -10.892 1.00 0.00 N ATOM 1406 CA VAL A 89 1.731 3.104 -10.876 1.00 0.00 C ATOM 1407 C VAL A 89 0.369 2.939 -11.562 1.00 0.00 C ATOM 1408 O VAL A 89 -0.648 3.483 -11.116 1.00 0.00 O ATOM 1409 CB VAL A 89 1.845 2.493 -9.466 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.694 2.822 -8.513 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.988 0.974 -9.559 1.00 0.00 C ATOM 0 H VAL A 89 1.735 5.061 -10.098 1.00 0.00 H new ATOM 0 HA VAL A 89 2.448 2.518 -11.451 1.00 0.00 H new ATOM 0 HB VAL A 89 2.734 2.957 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.872 2.344 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.632 3.902 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.242 2.455 -8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.068 0.554 -8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.114 0.556 -10.059 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.884 0.727 -10.128 1.00 0.00 H new ATOM 1421 N VAL A 90 0.392 2.280 -12.724 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.669 2.307 -13.739 1.00 0.00 C ATOM 1423 C VAL A 90 -0.928 0.890 -14.224 1.00 0.00 C ATOM 1424 O VAL A 90 -0.053 0.018 -14.173 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.260 3.184 -14.954 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.384 3.424 -15.979 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.303 4.539 -14.521 1.00 0.00 C ATOM 0 H VAL A 90 1.179 1.690 -12.995 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.566 2.732 -13.288 1.00 0.00 H new ATOM 0 HB VAL A 90 0.513 2.595 -15.448 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.008 4.045 -16.792 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.722 2.468 -16.379 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.219 3.929 -15.492 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.576 5.118 -15.403 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.451 5.081 -13.950 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.186 4.385 -13.901 1.00 0.00 H new ATOM 1437 N SER A 91 -2.107 0.628 -14.780 1.00 0.00 N ATOM 1438 CA SER A 91 -2.271 -0.501 -15.690 1.00 0.00 C ATOM 1439 C SER A 91 -3.259 -0.168 -16.803 1.00 0.00 C ATOM 1440 O SER A 91 -4.113 0.703 -16.638 1.00 0.00 O ATOM 1441 CB SER A 91 -2.660 -1.749 -14.898 1.00 0.00 C ATOM 1442 OG SER A 91 -1.785 -1.905 -13.794 1.00 0.00 O ATOM 0 H SER A 91 -2.953 1.174 -14.619 1.00 0.00 H new ATOM 0 HA SER A 91 -1.323 -0.712 -16.184 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.689 -1.664 -14.550 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.612 -2.629 -15.540 1.00 0.00 H new ATOM 0 HG SER A 91 -0.921 -1.491 -14.000 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.123 -0.860 -17.936 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.901 -0.674 -19.159 1.00 0.00 C ATOM 1450 C ILE A 92 -4.639 -1.980 -19.478 1.00 0.00 C ATOM 1451 O ILE A 92 -4.098 -3.088 -19.327 1.00 0.00 O ATOM 1452 CB ILE A 92 -2.998 -0.224 -20.333 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.093 0.987 -20.000 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -3.827 0.085 -21.594 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.833 2.293 -19.697 1.00 0.00 C ATOM 0 H ILE A 92 -2.431 -1.603 -18.028 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.633 0.120 -19.010 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.340 -1.072 -20.523 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.474 0.731 -19.140 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.418 1.157 -20.839 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.162 0.398 -22.399 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.371 -0.809 -21.900 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.535 0.885 -21.377 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.110 3.078 -19.477 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.430 2.582 -20.562 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.487 2.150 -18.836 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.891 -1.820 -19.912 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.849 -2.884 -20.165 1.00 0.00 C ATOM 1469 C LEU A 93 -7.186 -2.877 -21.668 1.00 0.00 C ATOM 1470 O LEU A 93 -6.405 -3.385 -22.472 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.061 -2.720 -19.217 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.753 -2.659 -17.699 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.488 -1.235 -17.184 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -8.945 -3.193 -16.896 1.00 0.00 C ATOM 0 H LEU A 93 -6.278 -0.896 -20.104 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.446 -3.872 -19.943 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.589 -1.808 -19.494 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.745 -3.550 -19.392 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.854 -3.261 -17.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.280 -1.268 -16.115 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.631 -0.812 -17.708 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.365 -0.614 -17.364 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.717 -3.145 -15.831 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.826 -2.587 -17.106 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.140 -4.227 -17.179 1.00 0.00 H new ATOM 1486 N GLU A 94 -8.281 -2.229 -22.075 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.646 -2.016 -23.474 1.00 0.00 C ATOM 1488 C GLU A 94 -7.797 -0.889 -24.074 1.00 0.00 C ATOM 1489 O GLU A 94 -8.176 0.286 -24.041 1.00 0.00 O ATOM 1490 CB GLU A 94 -10.142 -1.657 -23.605 1.00 0.00 C ATOM 1491 CG GLU A 94 -11.109 -2.835 -23.440 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.026 -3.525 -22.077 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.817 -2.848 -21.037 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -11.156 -4.770 -22.044 1.00 0.00 O ATOM 0 H GLU A 94 -8.954 -1.828 -21.422 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.459 -2.943 -24.017 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.385 -0.900 -22.859 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.307 -1.205 -24.583 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.128 -2.479 -23.594 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.907 -3.569 -24.220 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.673 -1.255 -24.695 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.903 -0.420 -25.624 1.00 0.00 C ATOM 1503 C ALA A 95 -6.666 -0.132 -26.942 1.00 0.00 C ATOM 1504 O ALA A 95 -6.112 -0.236 -28.035 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.554 -1.091 -25.867 1.00 0.00 C ATOM 0 H ALA A 95 -6.257 -2.177 -24.560 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.744 0.561 -25.175 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.965 -0.485 -26.556 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.020 -1.188 -24.922 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.712 -2.080 -26.297 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.955 0.218 -26.856 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.872 0.418 -27.985 1.00 0.00 C ATOM 1513 C GLY A 96 -8.652 1.731 -28.741 1.00 0.00 C ATOM 1514 O GLY A 96 -9.619 2.404 -29.080 1.00 0.00 O ATOM 0 H GLY A 96 -8.408 0.377 -25.956 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.761 -0.413 -28.681 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.897 0.390 -27.616 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.388 2.106 -28.962 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.977 3.382 -29.543 1.00 0.00 C ATOM 1520 C ASP A 97 -5.733 3.174 -30.427 1.00 0.00 C ATOM 1521 O ASP A 97 -5.864 3.005 -31.637 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.786 4.391 -28.392 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.748 5.845 -28.865 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.960 6.167 -29.782 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.542 6.669 -28.336 1.00 0.00 O ATOM 0 H ASP A 97 -6.596 1.505 -28.732 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.735 3.795 -30.208 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.597 4.271 -27.674 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.859 4.162 -27.867 1.00 0.00 H new ATOM 1530 N SER A 98 -4.532 3.120 -29.830 1.00 0.00 N ATOM 1531 CA SER A 98 -3.323 2.541 -30.426 1.00 0.00 C ATOM 1532 C SER A 98 -2.926 1.234 -29.723 1.00 0.00 C ATOM 1533 O SER A 98 -3.285 1.000 -28.573 1.00 0.00 O ATOM 1534 CB SER A 98 -2.209 3.590 -30.442 1.00 0.00 C ATOM 1535 OG SER A 98 -1.055 3.118 -31.105 1.00 0.00 O ATOM 0 H SER A 98 -4.373 3.489 -28.893 1.00 0.00 H new ATOM 0 HA SER A 98 -3.520 2.263 -31.461 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.568 4.494 -30.935 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.954 3.865 -29.419 1.00 0.00 H new ATOM 0 HG SER A 98 -0.584 3.871 -31.519 1.00 0.00 H new ATOM 1541 N ASP A 99 -2.133 0.394 -30.391 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.828 -1.007 -30.067 1.00 0.00 C ATOM 1543 C ASP A 99 -1.001 -1.258 -28.786 1.00 0.00 C ATOM 1544 O ASP A 99 -0.533 -2.387 -28.604 1.00 0.00 O ATOM 1545 CB ASP A 99 -1.076 -1.581 -31.281 1.00 0.00 C ATOM 1546 CG ASP A 99 0.266 -0.863 -31.477 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.274 0.224 -32.098 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.293 -1.289 -30.900 1.00 0.00 O ATOM 0 H ASP A 99 -1.649 0.695 -31.237 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.780 -1.494 -29.857 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -0.906 -2.648 -31.138 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.686 -1.473 -32.178 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.773 -0.236 -27.940 1.00 0.00 N ATOM 1554 CA ILE A 100 0.462 -0.042 -27.156 1.00 0.00 C ATOM 1555 C ILE A 100 1.049 -1.335 -26.603 1.00 0.00 C ATOM 1556 O ILE A 100 2.150 -1.718 -26.982 1.00 0.00 O ATOM 1557 CB ILE A 100 0.312 1.045 -26.057 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.704 1.366 -25.471 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.648 0.683 -24.900 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.714 2.541 -24.497 1.00 0.00 C ATOM 0 H ILE A 100 -1.462 0.498 -27.778 1.00 0.00 H new ATOM 0 HA ILE A 100 1.192 0.331 -27.874 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.135 1.905 -26.555 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.084 0.481 -24.960 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.390 1.581 -26.290 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.684 1.506 -24.186 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.647 0.505 -25.298 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.291 -0.217 -24.399 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.728 2.701 -24.131 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.366 3.439 -25.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.055 2.323 -23.657 1.00 0.00 H new ATOM 1572 N LEU A 101 0.309 -2.015 -25.731 1.00 0.00 N ATOM 1573 CA LEU A 101 0.729 -3.185 -24.978 1.00 0.00 C ATOM 1574 C LEU A 101 1.091 -4.429 -25.805 1.00 0.00 C ATOM 1575 O LEU A 101 1.628 -5.387 -25.247 1.00 0.00 O ATOM 1576 CB LEU A 101 -0.231 -3.424 -23.804 1.00 0.00 C ATOM 1577 CG LEU A 101 -1.720 -3.744 -24.043 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -2.607 -2.917 -23.106 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -2.247 -3.560 -25.455 1.00 0.00 C ATOM 0 H LEU A 101 -0.653 -1.746 -25.522 1.00 0.00 H new ATOM 0 HA LEU A 101 1.708 -2.954 -24.558 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.181 -4.245 -23.218 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.193 -2.534 -23.176 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.769 -4.814 -23.841 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.654 -3.157 -23.290 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.358 -3.149 -22.070 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.440 -1.856 -23.290 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.305 -3.819 -25.485 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.119 -2.521 -25.759 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.696 -4.208 -26.136 1.00 0.00 H new ATOM 1591 N THR A 102 0.900 -4.388 -27.126 1.00 0.00 N ATOM 1592 CA THR A 102 1.567 -5.271 -28.089 1.00 0.00 C ATOM 1593 C THR A 102 3.042 -4.845 -28.270 1.00 0.00 C ATOM 1594 O THR A 102 3.931 -5.478 -27.697 1.00 0.00 O ATOM 1595 CB THR A 102 0.796 -5.322 -29.429 1.00 0.00 C ATOM 1596 OG1 THR A 102 0.783 -4.074 -30.067 1.00 0.00 O ATOM 1597 CG2 THR A 102 -0.673 -5.727 -29.303 1.00 0.00 C ATOM 0 H THR A 102 0.263 -3.725 -27.567 1.00 0.00 H new ATOM 0 HA THR A 102 1.566 -6.287 -27.696 1.00 0.00 H new ATOM 0 HB THR A 102 1.338 -6.079 -29.996 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.370 -3.409 -29.477 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.134 -5.736 -30.291 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.740 -6.722 -28.862 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.194 -5.012 -28.666 1.00 0.00 H new ATOM 1605 N THR A 103 3.296 -3.773 -29.034 1.00 0.00 N ATOM 1606 CA THR A 103 4.604 -3.260 -29.480 1.00 0.00 C ATOM 1607 C THR A 103 5.475 -2.659 -28.375 1.00 0.00 C ATOM 1608 O THR A 103 6.700 -2.758 -28.445 1.00 0.00 O ATOM 1609 CB THR A 103 4.421 -2.193 -30.579 1.00 0.00 C ATOM 1610 OG1 THR A 103 3.572 -1.137 -30.163 1.00 0.00 O ATOM 1611 CG2 THR A 103 3.877 -2.789 -31.878 1.00 0.00 C ATOM 0 H THR A 103 2.533 -3.195 -29.385 1.00 0.00 H new ATOM 0 HA THR A 103 5.126 -4.141 -29.854 1.00 0.00 H new ATOM 0 HB THR A 103 5.417 -1.792 -30.765 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.642 -1.446 -30.163 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.765 -2.000 -32.622 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.570 -3.543 -32.251 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.907 -3.250 -31.689 1.00 0.00 H new ATOM 1619 N LEU A 104 4.876 -2.052 -27.347 1.00 0.00 N ATOM 1620 CA LEU A 104 5.549 -1.540 -26.154 1.00 0.00 C ATOM 1621 C LEU A 104 6.001 -2.730 -25.302 1.00 0.00 C ATOM 1622 O LEU A 104 5.243 -3.248 -24.481 1.00 0.00 O ATOM 1623 CB LEU A 104 4.587 -0.570 -25.437 1.00 0.00 C ATOM 1624 CG LEU A 104 5.066 0.231 -24.207 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.522 -0.358 -22.900 1.00 0.00 C ATOM 1626 CD2 LEU A 104 6.582 0.416 -24.127 1.00 0.00 C ATOM 0 H LEU A 104 3.868 -1.898 -27.324 1.00 0.00 H new ATOM 0 HA LEU A 104 6.449 -0.971 -26.388 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.243 0.151 -26.178 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.716 -1.148 -25.127 1.00 0.00 H new ATOM 0 HG LEU A 104 4.650 1.229 -24.345 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.881 0.233 -22.057 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.432 -0.339 -22.918 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.865 -1.387 -22.794 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.832 0.989 -23.234 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.066 -0.560 -24.079 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.930 0.951 -25.011 1.00 0.00 H new ATOM 1638 N ALA A 105 7.204 -3.228 -25.596 1.00 0.00 N ATOM 1639 CA ALA A 105 7.864 -4.361 -24.944 1.00 0.00 C ATOM 1640 C ALA A 105 8.133 -4.148 -23.446 1.00 0.00 C ATOM 1641 O ALA A 105 8.281 -2.990 -22.987 1.00 0.00 O ATOM 1642 CB ALA A 105 9.163 -4.653 -25.706 1.00 0.00 C ATOM 1643 OXT ALA A 105 8.309 -5.167 -22.743 1.00 0.00 O ATOM 0 H ALA A 105 7.777 -2.828 -26.339 1.00 0.00 H new ATOM 0 HA ALA A 105 7.188 -5.215 -24.983 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.676 -5.495 -25.241 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.930 -4.898 -26.742 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.807 -3.774 -25.677 1.00 0.00 H new TER 1649 ALA A 105