USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=35 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+ 156:sc= 1.33 (180deg=-0.614!) USER MOD Set 1.2: A 98 SER OG : rot 65:sc= 1.86 USER MOD Set 2.1: A 30 THR OG1 : rot 125:sc= 1.21 USER MOD Set 2.2: A 91 SER OG : rot -27:sc= 0.635 USER MOD Set 3.1: A 75 ASN : amide:sc= 2.43 K(o=4.6,f=-4.5) USER MOD Set 3.2: A 83 LYS NZ :NH3+ 176:sc= 2.18 (180deg=1.25) USER MOD Set 4.1: A 47 ASN : amide:sc= 0.931 K(o=1.9,f=-0.57) USER MOD Set 4.2: A 71 GLN : amide:sc= 0.99 K(o=1.9,f=0.074) USER MOD Set 5.1: A 5 LYS NZ :NH3+ 160:sc= 3.53 (180deg=0.0221!) USER MOD Set 5.2: A 7 GLN : amide:sc= 0.469 K(o=4.5,f=-5.7!) USER MOD Set 5.3: A 68 TYR OH : rot 180:sc= 0.486 USER MOD Set 6.1: A 53 LYS NZ :NH3+ 169:sc= 2.39 (180deg=1.18) USER MOD Set 6.2: A 54 SER OG : rot 70:sc= 2.24 USER MOD Set 7.1: A 39 SER OG : rot 97:sc= 1.27 USER MOD Set 7.2: A 63 SER OG : rot -91:sc= 2.19 USER MOD Set 7.3: A 65 THR OG1 : rot 134:sc= 2.15 USER MOD Set 8.1: A 32 LYS NZ :NH3+ -169:sc= 1.18 (180deg=-0.15) USER MOD Set 8.2: A 33 SER OG : rot -21:sc= 1.15 USER MOD Set 8.3: A 36 GLN : amide:sc= 2.13 K(o=4.5,f=-8.8!) USER MOD Set 9.1: A 24 THR OG1 : rot -167:sc= 1.37 USER MOD Set 9.2: A 29 SER OG : rot -49:sc= 1.15 USER MOD Set10.1: A 9 SER OG : rot -35:sc= 1.72 USER MOD Set10.2: A 12 GLN : amide:sc= 0.864 K(o=2.6,f=0.96) USER MOD Single : A 6 SER OG : rot -57:sc= 1.12 USER MOD Single : A 11 ASN : amide:sc= -0.785 K(o=-0.78,f=-7.8!) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= 0.523 (180deg=-0.893) USER MOD Single : A 20 SER OG : rot -91:sc= 1.06 USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= 1.21 (180deg=1.12) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 34:sc= 1.12 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0.865) USER MOD Single : A 40 LYS NZ :NH3+ 138:sc= 2.97 (180deg=0.73) USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -179:sc= 1.51 USER MOD Single : A 61 MET CE :methyl 168:sc=-0.00391 (180deg=-0.17) USER MOD Single : A 64 LYS NZ :NH3+ 151:sc= 1.73 (180deg=0.611) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 2.43 (180deg=2.17) USER MOD Single : A 69 TYR OH : rot 164:sc= 0.983 USER MOD Single : A 74 ASN : amide:sc= 1.2 K(o=1.2,f=-2.9!) USER MOD Single : A 79 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 102 THR OG1 : rot -28:sc= 1.03 USER MOD Single : A 103 THR OG1 : rot 124:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 11.947 14.115 -18.091 1.00 0.00 N ATOM 2 CA ALA A 2 13.175 14.558 -18.777 1.00 0.00 C ATOM 3 C ALA A 2 13.549 13.581 -19.904 1.00 0.00 C ATOM 4 O ALA A 2 14.325 12.650 -19.682 1.00 0.00 O ATOM 5 CB ALA A 2 14.315 14.759 -17.769 1.00 0.00 C ATOM 0 HA ALA A 2 12.991 15.525 -19.244 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.212 15.086 -18.295 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.026 15.515 -17.039 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.517 13.819 -17.256 1.00 0.00 H new ATOM 13 N PRO A 3 13.054 13.800 -21.141 1.00 0.00 N ATOM 14 CA PRO A 3 13.048 12.799 -22.219 1.00 0.00 C ATOM 15 C PRO A 3 14.413 12.505 -22.867 1.00 0.00 C ATOM 16 O PRO A 3 14.488 11.791 -23.868 1.00 0.00 O ATOM 17 CB PRO A 3 12.005 13.304 -23.224 1.00 0.00 C ATOM 18 CG PRO A 3 12.083 14.820 -23.065 1.00 0.00 C ATOM 19 CD PRO A 3 12.320 14.987 -21.565 1.00 0.00 C ATOM 0 HA PRO A 3 12.796 11.821 -21.809 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.240 12.992 -24.242 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.009 12.925 -22.997 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.895 15.248 -23.654 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.164 15.309 -23.387 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.890 15.893 -21.358 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.376 15.075 -21.028 1.00 0.00 H new ATOM 27 N VAL A 4 15.496 12.984 -22.251 1.00 0.00 N ATOM 28 CA VAL A 4 16.867 12.499 -22.456 1.00 0.00 C ATOM 29 C VAL A 4 16.939 11.007 -22.106 1.00 0.00 C ATOM 30 O VAL A 4 17.502 10.226 -22.870 1.00 0.00 O ATOM 31 CB VAL A 4 17.874 13.319 -21.620 1.00 0.00 C ATOM 32 CG1 VAL A 4 19.316 12.842 -21.841 1.00 0.00 C ATOM 33 CG2 VAL A 4 17.811 14.812 -21.973 1.00 0.00 C ATOM 0 H VAL A 4 15.444 13.745 -21.573 1.00 0.00 H new ATOM 0 HA VAL A 4 17.137 12.627 -23.504 1.00 0.00 H new ATOM 0 HB VAL A 4 17.593 13.170 -20.577 1.00 0.00 H new ATOM 0 HG11 VAL A 4 19.995 13.443 -21.236 1.00 0.00 H new ATOM 0 HG12 VAL A 4 19.401 11.795 -21.550 1.00 0.00 H new ATOM 0 HG13 VAL A 4 19.577 12.949 -22.894 1.00 0.00 H new ATOM 0 HG21 VAL A 4 18.532 15.360 -21.367 1.00 0.00 H new ATOM 0 HG22 VAL A 4 18.048 14.947 -23.028 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.808 15.191 -21.775 1.00 0.00 H new ATOM 43 N LYS A 5 16.279 10.579 -21.014 1.00 0.00 N ATOM 44 CA LYS A 5 15.938 9.165 -20.810 1.00 0.00 C ATOM 45 C LYS A 5 14.716 8.801 -21.668 1.00 0.00 C ATOM 46 O LYS A 5 13.608 8.610 -21.173 1.00 0.00 O ATOM 47 CB LYS A 5 15.790 8.820 -19.315 1.00 0.00 C ATOM 48 CG LYS A 5 14.807 9.694 -18.516 1.00 0.00 C ATOM 49 CD LYS A 5 14.423 8.999 -17.201 1.00 0.00 C ATOM 50 CE LYS A 5 13.240 9.675 -16.506 1.00 0.00 C ATOM 51 NZ LYS A 5 11.997 9.564 -17.299 1.00 0.00 N ATOM 0 H LYS A 5 15.973 11.195 -20.261 1.00 0.00 H new ATOM 0 HA LYS A 5 16.762 8.538 -21.151 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.472 7.781 -19.232 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.772 8.891 -18.847 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.260 10.663 -18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.913 9.883 -19.110 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.175 7.957 -17.403 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.282 8.997 -16.530 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.087 9.222 -15.527 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.471 10.727 -16.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.175 9.717 -16.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.001 10.281 -18.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.939 8.616 -17.723 1.00 0.00 H new ATOM 65 N SER A 6 14.915 8.721 -22.986 1.00 0.00 N ATOM 66 CA SER A 6 13.840 8.688 -23.992 1.00 0.00 C ATOM 67 C SER A 6 12.878 7.489 -23.922 1.00 0.00 C ATOM 68 O SER A 6 11.838 7.526 -24.581 1.00 0.00 O ATOM 69 CB SER A 6 14.432 8.839 -25.397 1.00 0.00 C ATOM 70 OG SER A 6 15.305 9.952 -25.443 1.00 0.00 O ATOM 0 H SER A 6 15.847 8.676 -23.397 1.00 0.00 H new ATOM 0 HA SER A 6 13.205 9.539 -23.748 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.972 7.933 -25.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.631 8.966 -26.125 1.00 0.00 H new ATOM 0 HG SER A 6 14.821 10.759 -25.168 1.00 0.00 H new ATOM 76 N GLN A 7 13.132 6.504 -23.040 1.00 0.00 N ATOM 77 CA GLN A 7 12.121 5.562 -22.531 1.00 0.00 C ATOM 78 C GLN A 7 10.818 6.262 -22.127 1.00 0.00 C ATOM 79 O GLN A 7 9.729 5.716 -22.283 1.00 0.00 O ATOM 80 CB GLN A 7 12.691 4.727 -21.362 1.00 0.00 C ATOM 81 CG GLN A 7 12.998 5.436 -20.017 1.00 0.00 C ATOM 82 CD GLN A 7 11.814 5.956 -19.179 1.00 0.00 C ATOM 83 OE1 GLN A 7 11.879 7.018 -18.564 1.00 0.00 O ATOM 84 NE2 GLN A 7 10.702 5.245 -19.093 1.00 0.00 N ATOM 0 H GLN A 7 14.062 6.339 -22.655 1.00 0.00 H new ATOM 0 HA GLN A 7 11.871 4.887 -23.350 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.986 3.922 -21.157 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.614 4.262 -21.708 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.565 4.742 -19.397 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.652 6.282 -20.229 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.623 4.360 -19.594 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.924 5.582 -18.526 1.00 0.00 H new ATOM 93 N GLU A 8 10.948 7.500 -21.647 1.00 0.00 N ATOM 94 CA GLU A 8 9.898 8.394 -21.196 1.00 0.00 C ATOM 95 C GLU A 8 8.757 8.578 -22.198 1.00 0.00 C ATOM 96 O GLU A 8 7.612 8.703 -21.776 1.00 0.00 O ATOM 97 CB GLU A 8 10.605 9.706 -20.875 1.00 0.00 C ATOM 98 CG GLU A 8 9.668 10.815 -20.407 1.00 0.00 C ATOM 99 CD GLU A 8 10.462 11.922 -19.710 1.00 0.00 C ATOM 100 OE1 GLU A 8 11.375 11.589 -18.917 1.00 0.00 O ATOM 101 OE2 GLU A 8 10.194 13.121 -19.936 1.00 0.00 O ATOM 0 H GLU A 8 11.868 7.931 -21.560 1.00 0.00 H new ATOM 0 HA GLU A 8 9.390 7.975 -20.327 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.352 9.525 -20.102 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.140 10.046 -21.762 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.127 11.227 -21.259 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.923 10.407 -19.724 1.00 0.00 H new ATOM 108 N SER A 9 9.025 8.507 -23.510 1.00 0.00 N ATOM 109 CA SER A 9 7.984 8.512 -24.550 1.00 0.00 C ATOM 110 C SER A 9 6.978 7.342 -24.468 1.00 0.00 C ATOM 111 O SER A 9 5.986 7.366 -25.205 1.00 0.00 O ATOM 112 CB SER A 9 8.592 8.582 -25.955 1.00 0.00 C ATOM 113 OG SER A 9 7.533 8.753 -26.885 1.00 0.00 O ATOM 0 H SER A 9 9.973 8.444 -23.882 1.00 0.00 H new ATOM 0 HA SER A 9 7.410 9.417 -24.351 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.297 9.411 -26.024 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.149 7.671 -26.175 1.00 0.00 H new ATOM 0 HG SER A 9 6.743 8.263 -26.575 1.00 0.00 H new ATOM 119 N ILE A 10 7.166 6.370 -23.563 1.00 0.00 N ATOM 120 CA ILE A 10 6.092 5.479 -23.106 1.00 0.00 C ATOM 121 C ILE A 10 4.896 6.321 -22.607 1.00 0.00 C ATOM 122 O ILE A 10 3.773 6.052 -23.016 1.00 0.00 O ATOM 123 CB ILE A 10 6.658 4.465 -22.074 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.890 3.127 -21.944 1.00 0.00 C ATOM 125 CG2 ILE A 10 6.896 5.101 -20.697 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.451 3.189 -21.432 1.00 0.00 C ATOM 0 H ILE A 10 8.069 6.180 -23.128 1.00 0.00 H new ATOM 0 HA ILE A 10 5.702 4.875 -23.925 1.00 0.00 H new ATOM 0 HB ILE A 10 7.620 4.189 -22.506 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.879 2.649 -22.923 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.457 2.477 -21.278 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.292 4.350 -20.013 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.611 5.918 -20.792 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.954 5.487 -20.307 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.036 2.182 -21.391 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.438 3.627 -20.434 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.851 3.802 -22.105 1.00 0.00 H new ATOM 138 N ASN A 11 5.124 7.408 -21.848 1.00 0.00 N ATOM 139 CA ASN A 11 4.103 8.367 -21.403 1.00 0.00 C ATOM 140 C ASN A 11 3.302 8.932 -22.582 1.00 0.00 C ATOM 141 O ASN A 11 2.076 8.927 -22.548 1.00 0.00 O ATOM 142 CB ASN A 11 4.782 9.500 -20.601 1.00 0.00 C ATOM 143 CG ASN A 11 3.839 10.647 -20.270 1.00 0.00 C ATOM 144 OD1 ASN A 11 3.145 10.640 -19.270 1.00 0.00 O ATOM 145 ND2 ASN A 11 3.786 11.667 -21.105 1.00 0.00 N ATOM 0 H ASN A 11 6.058 7.649 -21.517 1.00 0.00 H new ATOM 0 HA ASN A 11 3.393 7.845 -20.761 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.185 9.090 -19.675 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.626 9.885 -21.172 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.163 12.451 -20.913 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.368 11.671 -21.942 1.00 0.00 H new ATOM 152 N GLN A 12 3.995 9.411 -23.621 1.00 0.00 N ATOM 153 CA GLN A 12 3.393 9.976 -24.829 1.00 0.00 C ATOM 154 C GLN A 12 2.462 8.959 -25.512 1.00 0.00 C ATOM 155 O GLN A 12 1.286 9.254 -25.739 1.00 0.00 O ATOM 156 CB GLN A 12 4.530 10.481 -25.736 1.00 0.00 C ATOM 157 CG GLN A 12 4.075 10.949 -27.126 1.00 0.00 C ATOM 158 CD GLN A 12 5.181 11.672 -27.898 1.00 0.00 C ATOM 159 OE1 GLN A 12 4.971 12.745 -28.440 1.00 0.00 O ATOM 160 NE2 GLN A 12 6.386 11.138 -28.002 1.00 0.00 N ATOM 0 H GLN A 12 5.015 9.416 -23.644 1.00 0.00 H new ATOM 0 HA GLN A 12 2.751 10.823 -24.585 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.037 11.307 -25.236 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.263 9.683 -25.857 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.739 10.087 -27.703 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.218 11.614 -27.018 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.587 10.242 -27.558 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.115 11.622 -28.526 1.00 0.00 H new ATOM 169 N LYS A 13 2.966 7.751 -25.805 1.00 0.00 N ATOM 170 CA LYS A 13 2.174 6.681 -26.428 1.00 0.00 C ATOM 171 C LYS A 13 1.031 6.193 -25.519 1.00 0.00 C ATOM 172 O LYS A 13 -0.063 5.909 -26.003 1.00 0.00 O ATOM 173 CB LYS A 13 3.123 5.550 -26.853 1.00 0.00 C ATOM 174 CG LYS A 13 2.457 4.515 -27.775 1.00 0.00 C ATOM 175 CD LYS A 13 3.518 3.554 -28.336 1.00 0.00 C ATOM 176 CE LYS A 13 2.922 2.312 -29.007 1.00 0.00 C ATOM 177 NZ LYS A 13 2.121 2.611 -30.212 1.00 0.00 N ATOM 0 H LYS A 13 3.934 7.489 -25.617 1.00 0.00 H new ATOM 0 HA LYS A 13 1.676 7.072 -27.315 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.985 5.980 -27.363 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.498 5.046 -25.963 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.703 3.955 -27.222 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.943 5.021 -28.593 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.134 4.088 -29.059 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.177 3.239 -27.526 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.731 1.634 -29.279 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.295 1.787 -28.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.093 1.773 -30.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.153 2.866 -29.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.552 3.405 -30.728 1.00 0.00 H new ATOM 191 N LEU A 14 1.257 6.133 -24.204 1.00 0.00 N ATOM 192 CA LEU A 14 0.255 5.732 -23.218 1.00 0.00 C ATOM 193 C LEU A 14 -0.842 6.789 -23.035 1.00 0.00 C ATOM 194 O LEU A 14 -2.005 6.415 -22.934 1.00 0.00 O ATOM 195 CB LEU A 14 0.967 5.366 -21.913 1.00 0.00 C ATOM 196 CG LEU A 14 0.055 4.648 -20.903 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.858 3.577 -20.169 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.523 5.628 -19.885 1.00 0.00 C ATOM 0 H LEU A 14 2.159 6.367 -23.789 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.275 4.851 -23.580 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.820 4.727 -22.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.361 6.273 -21.455 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.771 4.194 -21.451 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.214 3.067 -19.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.244 2.855 -20.888 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.690 4.044 -19.641 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.163 5.090 -19.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.290 6.107 -19.339 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.109 6.387 -20.403 1.00 0.00 H new ATOM 210 N ALA A 15 -0.522 8.089 -23.046 1.00 0.00 N ATOM 211 CA ALA A 15 -1.528 9.154 -23.067 1.00 0.00 C ATOM 212 C ALA A 15 -2.329 9.147 -24.377 1.00 0.00 C ATOM 213 O ALA A 15 -3.558 9.236 -24.344 1.00 0.00 O ATOM 214 CB ALA A 15 -0.866 10.513 -22.846 1.00 0.00 C ATOM 0 H ALA A 15 0.439 8.430 -23.041 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.229 8.969 -22.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.625 11.295 -22.864 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.362 10.519 -21.880 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.138 10.696 -23.636 1.00 0.00 H new ATOM 220 N LEU A 16 -1.645 8.972 -25.522 1.00 0.00 N ATOM 221 CA LEU A 16 -2.282 8.743 -26.821 1.00 0.00 C ATOM 222 C LEU A 16 -3.295 7.597 -26.736 1.00 0.00 C ATOM 223 O LEU A 16 -4.388 7.750 -27.270 1.00 0.00 O ATOM 224 CB LEU A 16 -1.201 8.534 -27.899 1.00 0.00 C ATOM 225 CG LEU A 16 -1.705 8.297 -29.341 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.547 8.554 -30.311 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.165 6.858 -29.616 1.00 0.00 C ATOM 0 H LEU A 16 -0.626 8.987 -25.567 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.856 9.622 -27.114 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.550 9.408 -27.904 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.588 7.682 -27.607 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.555 8.967 -29.472 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.886 8.391 -31.334 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.203 9.583 -30.202 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.273 7.872 -30.088 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.503 6.775 -30.649 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.334 6.172 -29.450 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.985 6.603 -28.944 1.00 0.00 H new ATOM 239 N VAL A 17 -2.965 6.497 -26.045 1.00 0.00 N ATOM 240 CA VAL A 17 -3.896 5.412 -25.705 1.00 0.00 C ATOM 241 C VAL A 17 -5.020 5.861 -24.762 1.00 0.00 C ATOM 242 O VAL A 17 -6.186 5.749 -25.134 1.00 0.00 O ATOM 243 CB VAL A 17 -3.114 4.188 -25.181 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.940 3.192 -24.353 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.524 3.463 -26.390 1.00 0.00 C ATOM 0 H VAL A 17 -2.020 6.333 -25.698 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.411 5.111 -26.618 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.354 4.569 -24.498 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.302 2.369 -24.031 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.349 3.697 -23.478 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.756 2.802 -24.961 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.964 2.591 -26.053 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.329 3.144 -27.052 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.858 4.137 -26.929 1.00 0.00 H new ATOM 255 N ILE A 18 -4.699 6.370 -23.565 1.00 0.00 N ATOM 256 CA ILE A 18 -5.638 6.799 -22.507 1.00 0.00 C ATOM 257 C ILE A 18 -6.684 7.828 -22.986 1.00 0.00 C ATOM 258 O ILE A 18 -7.773 7.901 -22.415 1.00 0.00 O ATOM 259 CB ILE A 18 -4.832 7.219 -21.248 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.373 5.933 -20.511 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.657 8.117 -20.323 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.802 6.141 -19.102 1.00 0.00 C ATOM 0 H ILE A 18 -3.726 6.503 -23.289 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.263 5.951 -22.225 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.964 7.803 -21.554 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.222 5.253 -20.442 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.617 5.438 -21.120 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.059 8.390 -19.453 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.951 9.019 -20.859 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.549 7.582 -19.997 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.513 5.178 -18.681 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.928 6.790 -19.156 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.558 6.603 -18.467 1.00 0.00 H new ATOM 274 N LYS A 19 -6.428 8.520 -24.103 1.00 0.00 N ATOM 275 CA LYS A 19 -7.404 9.304 -24.874 1.00 0.00 C ATOM 276 C LYS A 19 -8.721 8.553 -25.139 1.00 0.00 C ATOM 277 O LYS A 19 -9.772 9.190 -25.140 1.00 0.00 O ATOM 278 CB LYS A 19 -6.720 9.664 -26.195 1.00 0.00 C ATOM 279 CG LYS A 19 -7.532 10.540 -27.164 1.00 0.00 C ATOM 280 CD LYS A 19 -6.730 10.906 -28.431 1.00 0.00 C ATOM 281 CE LYS A 19 -6.729 9.858 -29.560 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.185 8.547 -29.143 1.00 0.00 N ATOM 0 H LYS A 19 -5.495 8.551 -24.513 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.690 10.186 -24.301 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.786 10.179 -25.968 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.457 8.739 -26.708 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.442 10.013 -27.452 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.840 11.453 -26.655 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.127 11.840 -28.830 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.697 11.097 -28.140 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.749 9.722 -29.921 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.143 10.237 -30.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.911 8.001 -29.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.351 8.693 -28.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.910 8.024 -28.611 1.00 0.00 H new ATOM 296 N SER A 20 -8.687 7.227 -25.351 1.00 0.00 N ATOM 297 CA SER A 20 -9.908 6.404 -25.435 1.00 0.00 C ATOM 298 C SER A 20 -9.777 4.937 -24.981 1.00 0.00 C ATOM 299 O SER A 20 -10.797 4.308 -24.680 1.00 0.00 O ATOM 300 CB SER A 20 -10.495 6.477 -26.850 1.00 0.00 C ATOM 301 OG SER A 20 -9.765 5.698 -27.771 1.00 0.00 O ATOM 0 H SER A 20 -7.823 6.698 -25.468 1.00 0.00 H new ATOM 0 HA SER A 20 -10.586 6.847 -24.705 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.530 6.137 -26.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.507 7.515 -27.183 1.00 0.00 H new ATOM 0 HG SER A 20 -9.062 6.246 -28.179 1.00 0.00 H new ATOM 307 N GLY A 21 -8.561 4.389 -24.860 1.00 0.00 N ATOM 308 CA GLY A 21 -8.295 3.051 -24.331 1.00 0.00 C ATOM 309 C GLY A 21 -8.337 3.023 -22.799 1.00 0.00 C ATOM 310 O GLY A 21 -8.088 4.032 -22.140 1.00 0.00 O ATOM 0 H GLY A 21 -7.712 4.882 -25.137 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.031 2.351 -24.727 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.317 2.713 -24.674 1.00 0.00 H new ATOM 314 N LYS A 22 -8.679 1.864 -22.223 1.00 0.00 N ATOM 315 CA LYS A 22 -9.104 1.762 -20.819 1.00 0.00 C ATOM 316 C LYS A 22 -7.961 1.412 -19.870 1.00 0.00 C ATOM 317 O LYS A 22 -7.128 0.548 -20.147 1.00 0.00 O ATOM 318 CB LYS A 22 -10.260 0.762 -20.668 1.00 0.00 C ATOM 319 CG LYS A 22 -11.433 1.022 -21.623 1.00 0.00 C ATOM 320 CD LYS A 22 -12.029 2.439 -21.558 1.00 0.00 C ATOM 321 CE LYS A 22 -13.190 2.613 -22.547 1.00 0.00 C ATOM 322 NZ LYS A 22 -12.737 2.540 -23.958 1.00 0.00 N ATOM 0 H LYS A 22 -8.669 0.971 -22.715 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.453 2.754 -20.532 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.881 -0.246 -20.839 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.625 0.795 -19.642 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.099 0.832 -22.643 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.223 0.303 -21.407 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.380 2.640 -20.546 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.252 3.171 -21.777 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.938 1.841 -22.367 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.674 3.574 -22.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.404 3.059 -24.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.791 2.964 -24.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.698 1.545 -24.259 1.00 0.00 H new ATOM 336 N TYR A 23 -7.968 2.096 -18.727 1.00 0.00 N ATOM 337 CA TYR A 23 -6.891 2.103 -17.737 1.00 0.00 C ATOM 338 C TYR A 23 -7.393 2.105 -16.276 1.00 0.00 C ATOM 339 O TYR A 23 -8.589 2.225 -16.016 1.00 0.00 O ATOM 340 CB TYR A 23 -6.023 3.339 -18.021 1.00 0.00 C ATOM 341 CG TYR A 23 -6.754 4.646 -17.792 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.556 5.207 -18.805 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.669 5.273 -16.537 1.00 0.00 C ATOM 344 CE1 TYR A 23 -8.286 6.384 -18.560 1.00 0.00 C ATOM 345 CE2 TYR A 23 -7.392 6.451 -16.289 1.00 0.00 C ATOM 346 CZ TYR A 23 -8.201 7.014 -17.300 1.00 0.00 C ATOM 347 OH TYR A 23 -8.886 8.162 -17.055 1.00 0.00 O ATOM 0 H TYR A 23 -8.755 2.684 -18.454 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.319 1.180 -17.834 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.139 3.308 -17.384 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.674 3.301 -19.053 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.611 4.732 -19.773 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.047 4.848 -15.763 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.910 6.805 -19.334 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.329 6.928 -15.322 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.713 8.457 -16.137 1.00 0.00 H new ATOM 357 N THR A 24 -6.462 1.993 -15.319 1.00 0.00 N ATOM 358 CA THR A 24 -6.680 2.107 -13.862 1.00 0.00 C ATOM 359 C THR A 24 -5.448 2.738 -13.172 1.00 0.00 C ATOM 360 O THR A 24 -4.338 2.591 -13.689 1.00 0.00 O ATOM 361 CB THR A 24 -7.037 0.718 -13.299 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.342 0.801 -11.929 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.933 -0.327 -13.470 1.00 0.00 C ATOM 0 H THR A 24 -5.485 1.811 -15.547 1.00 0.00 H new ATOM 0 HA THR A 24 -7.516 2.776 -13.657 1.00 0.00 H new ATOM 0 HB THR A 24 -7.899 0.393 -13.881 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.367 -0.100 -11.544 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.262 -1.277 -13.048 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.716 -0.457 -14.530 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.033 0.007 -12.954 1.00 0.00 H new ATOM 371 N LEU A 25 -5.627 3.456 -12.042 1.00 0.00 N ATOM 372 CA LEU A 25 -4.634 4.380 -11.447 1.00 0.00 C ATOM 373 C LEU A 25 -4.491 4.256 -9.919 1.00 0.00 C ATOM 374 O LEU A 25 -5.468 4.430 -9.193 1.00 0.00 O ATOM 375 CB LEU A 25 -5.027 5.847 -11.736 1.00 0.00 C ATOM 376 CG LEU A 25 -5.163 6.251 -13.210 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.562 7.722 -13.327 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.848 6.074 -13.956 1.00 0.00 C ATOM 0 H LEU A 25 -6.491 3.408 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.686 4.101 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.977 6.048 -11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.283 6.495 -11.274 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.927 5.607 -13.645 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.654 7.991 -14.379 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.517 7.881 -12.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.799 8.344 -12.858 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.978 6.369 -14.997 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.082 6.697 -13.495 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.542 5.029 -13.910 1.00 0.00 H new ATOM 390 N GLY A 26 -3.265 4.049 -9.423 1.00 0.00 N ATOM 391 CA GLY A 26 -2.969 3.973 -7.986 1.00 0.00 C ATOM 392 C GLY A 26 -3.149 2.558 -7.421 1.00 0.00 C ATOM 393 O GLY A 26 -4.018 1.818 -7.882 1.00 0.00 O ATOM 0 H GLY A 26 -2.442 3.928 -10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.945 4.302 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.621 4.661 -7.448 1.00 0.00 H new ATOM 397 N TYR A 27 -2.341 2.187 -6.411 1.00 0.00 N ATOM 398 CA TYR A 27 -2.115 0.798 -5.966 1.00 0.00 C ATOM 399 C TYR A 27 -3.412 -0.018 -5.854 1.00 0.00 C ATOM 400 O TYR A 27 -3.576 -1.006 -6.563 1.00 0.00 O ATOM 401 CB TYR A 27 -1.294 0.759 -4.663 1.00 0.00 C ATOM 402 CG TYR A 27 -0.783 -0.631 -4.299 1.00 0.00 C ATOM 403 CD1 TYR A 27 -1.569 -1.507 -3.519 1.00 0.00 C ATOM 404 CD2 TYR A 27 0.474 -1.064 -4.772 1.00 0.00 C ATOM 405 CE1 TYR A 27 -1.125 -2.820 -3.247 1.00 0.00 C ATOM 406 CE2 TYR A 27 0.914 -2.371 -4.503 1.00 0.00 C ATOM 407 CZ TYR A 27 0.109 -3.265 -3.772 1.00 0.00 C ATOM 408 OH TYR A 27 0.551 -4.542 -3.606 1.00 0.00 O ATOM 0 H TYR A 27 -1.811 2.866 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.528 0.312 -6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.444 1.435 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.909 1.135 -3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.517 -1.170 -3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.098 -0.391 -5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.726 -3.481 -2.640 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.881 -2.693 -4.861 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.214 -5.155 -3.601 1.00 0.00 H new ATOM 418 N LYS A 28 -4.368 0.418 -5.022 1.00 0.00 N ATOM 419 CA LYS A 28 -5.656 -0.266 -4.829 1.00 0.00 C ATOM 420 C LYS A 28 -6.442 -0.458 -6.137 1.00 0.00 C ATOM 421 O LYS A 28 -7.033 -1.517 -6.337 1.00 0.00 O ATOM 422 CB LYS A 28 -6.471 0.503 -3.773 1.00 0.00 C ATOM 423 CG LYS A 28 -7.738 -0.248 -3.335 1.00 0.00 C ATOM 424 CD LYS A 28 -8.455 0.500 -2.203 1.00 0.00 C ATOM 425 CE LYS A 28 -9.707 -0.271 -1.767 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.418 0.419 -0.664 1.00 0.00 N ATOM 0 H LYS A 28 -4.269 1.263 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.458 -1.277 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.844 0.688 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.752 1.476 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.411 -0.361 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.474 -1.252 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.781 0.623 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.733 1.500 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.379 -0.386 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.424 -1.274 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.259 -0.131 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.785 0.506 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.710 1.366 -0.978 1.00 0.00 H new ATOM 440 N SER A 29 -6.435 0.539 -7.027 1.00 0.00 N ATOM 441 CA SER A 29 -7.161 0.549 -8.303 1.00 0.00 C ATOM 442 C SER A 29 -6.559 -0.414 -9.327 1.00 0.00 C ATOM 443 O SER A 29 -7.295 -1.145 -10.004 1.00 0.00 O ATOM 444 CB SER A 29 -7.111 1.958 -8.890 1.00 0.00 C ATOM 445 OG SER A 29 -8.103 2.131 -9.883 1.00 0.00 O ATOM 0 H SER A 29 -5.903 1.395 -6.873 1.00 0.00 H new ATOM 0 HA SER A 29 -8.183 0.231 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.255 2.691 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.126 2.142 -9.319 1.00 0.00 H new ATOM 0 HG SER A 29 -8.072 1.379 -10.511 1.00 0.00 H new ATOM 451 N THR A 30 -5.226 -0.397 -9.476 1.00 0.00 N ATOM 452 CA THR A 30 -4.532 -1.433 -10.245 1.00 0.00 C ATOM 453 C THR A 30 -4.800 -2.790 -9.604 1.00 0.00 C ATOM 454 O THR A 30 -5.497 -3.586 -10.225 1.00 0.00 O ATOM 455 CB THR A 30 -3.064 -1.093 -10.549 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.470 -2.176 -11.208 1.00 0.00 O ATOM 457 CG2 THR A 30 -2.196 -0.762 -9.346 1.00 0.00 C ATOM 0 H THR A 30 -4.615 0.316 -9.078 1.00 0.00 H new ATOM 0 HA THR A 30 -4.944 -1.485 -11.253 1.00 0.00 H new ATOM 0 HB THR A 30 -3.111 -0.187 -11.153 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.086 -1.872 -12.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.182 -0.539 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.607 0.105 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.175 -1.614 -8.667 1.00 0.00 H new ATOM 465 N VAL A 31 -4.409 -3.029 -8.346 1.00 0.00 N ATOM 466 CA VAL A 31 -4.588 -4.317 -7.654 1.00 0.00 C ATOM 467 C VAL A 31 -6.005 -4.885 -7.797 1.00 0.00 C ATOM 468 O VAL A 31 -6.134 -6.052 -8.164 1.00 0.00 O ATOM 469 CB VAL A 31 -4.134 -4.213 -6.186 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.505 -5.457 -5.371 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.609 -4.055 -6.153 1.00 0.00 C ATOM 0 H VAL A 31 -3.952 -2.323 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.943 -5.043 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.640 -3.355 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.163 -5.334 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.587 -5.589 -5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.029 -6.334 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.273 -3.980 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.143 -4.921 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.325 -3.152 -6.693 1.00 0.00 H new ATOM 481 N LYS A 32 -7.052 -4.064 -7.611 1.00 0.00 N ATOM 482 CA LYS A 32 -8.439 -4.377 -7.982 1.00 0.00 C ATOM 483 C LYS A 32 -8.521 -4.985 -9.387 1.00 0.00 C ATOM 484 O LYS A 32 -8.850 -6.163 -9.519 1.00 0.00 O ATOM 485 CB LYS A 32 -9.293 -3.102 -7.828 1.00 0.00 C ATOM 486 CG LYS A 32 -10.717 -3.180 -8.409 1.00 0.00 C ATOM 487 CD LYS A 32 -11.331 -1.772 -8.489 1.00 0.00 C ATOM 488 CE LYS A 32 -12.619 -1.721 -9.320 1.00 0.00 C ATOM 489 NZ LYS A 32 -12.375 -2.027 -10.752 1.00 0.00 N ATOM 0 H LYS A 32 -6.953 -3.141 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.838 -5.140 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.365 -2.861 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.769 -2.275 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.690 -3.630 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.339 -3.822 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.543 -1.417 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.600 -1.088 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.339 -2.433 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.067 -0.731 -9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.226 -1.801 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.576 -1.457 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.151 -3.037 -10.858 1.00 0.00 H new ATOM 503 N SER A 33 -8.262 -4.204 -10.443 1.00 0.00 N ATOM 504 CA SER A 33 -8.509 -4.674 -11.813 1.00 0.00 C ATOM 505 C SER A 33 -7.463 -5.653 -12.373 1.00 0.00 C ATOM 506 O SER A 33 -7.777 -6.380 -13.318 1.00 0.00 O ATOM 507 CB SER A 33 -8.781 -3.496 -12.747 1.00 0.00 C ATOM 508 OG SER A 33 -10.007 -2.894 -12.364 1.00 0.00 O ATOM 0 H SER A 33 -7.887 -3.258 -10.379 1.00 0.00 H new ATOM 0 HA SER A 33 -9.410 -5.285 -11.755 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.969 -2.771 -12.690 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.832 -3.836 -13.781 1.00 0.00 H new ATOM 0 HG SER A 33 -10.539 -3.535 -11.848 1.00 0.00 H new ATOM 514 N LEU A 34 -6.284 -5.773 -11.749 1.00 0.00 N ATOM 515 CA LEU A 34 -5.385 -6.912 -11.966 1.00 0.00 C ATOM 516 C LEU A 34 -5.972 -8.199 -11.371 1.00 0.00 C ATOM 517 O LEU A 34 -5.939 -9.235 -12.028 1.00 0.00 O ATOM 518 CB LEU A 34 -3.990 -6.678 -11.365 1.00 0.00 C ATOM 519 CG LEU A 34 -3.250 -5.393 -11.755 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.860 -5.388 -11.126 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.159 -5.176 -13.254 1.00 0.00 C ATOM 0 H LEU A 34 -5.929 -5.087 -11.083 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.283 -7.017 -13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.086 -6.693 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.360 -7.524 -11.641 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.838 -4.560 -11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.337 -4.473 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.951 -5.436 -10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.297 -6.251 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.623 -4.249 -13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.626 -6.010 -13.711 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.163 -5.114 -13.674 1.00 0.00 H new ATOM 533 N ARG A 35 -6.549 -8.147 -10.159 1.00 0.00 N ATOM 534 CA ARG A 35 -7.243 -9.291 -9.539 1.00 0.00 C ATOM 535 C ARG A 35 -8.587 -9.613 -10.216 1.00 0.00 C ATOM 536 O ARG A 35 -9.023 -10.756 -10.151 1.00 0.00 O ATOM 537 CB ARG A 35 -7.381 -9.071 -8.021 1.00 0.00 C ATOM 538 CG ARG A 35 -6.003 -9.108 -7.327 1.00 0.00 C ATOM 539 CD ARG A 35 -6.041 -8.615 -5.875 1.00 0.00 C ATOM 540 NE ARG A 35 -6.582 -9.623 -4.947 1.00 0.00 N ATOM 541 CZ ARG A 35 -6.087 -9.995 -3.769 1.00 0.00 C ATOM 542 NH1 ARG A 35 -4.970 -9.521 -3.259 1.00 0.00 N ATOM 543 NH2 ARG A 35 -6.733 -10.890 -3.057 1.00 0.00 N ATOM 0 H ARG A 35 -6.548 -7.308 -9.579 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.628 -10.177 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.861 -8.111 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.026 -9.840 -7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.621 -10.129 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.302 -8.495 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.033 -8.342 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.648 -7.712 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.438 -10.092 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.429 -8.826 -3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.645 -9.849 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.603 -11.291 -3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.365 -11.184 -2.152 1.00 0.00 H new ATOM 557 N GLN A 36 -9.184 -8.665 -10.955 1.00 0.00 N ATOM 558 CA GLN A 36 -10.214 -8.943 -11.973 1.00 0.00 C ATOM 559 C GLN A 36 -9.656 -9.628 -13.243 1.00 0.00 C ATOM 560 O GLN A 36 -10.435 -9.997 -14.119 1.00 0.00 O ATOM 561 CB GLN A 36 -10.948 -7.653 -12.396 1.00 0.00 C ATOM 562 CG GLN A 36 -11.727 -6.947 -11.277 1.00 0.00 C ATOM 563 CD GLN A 36 -12.396 -5.673 -11.790 1.00 0.00 C ATOM 564 OE1 GLN A 36 -11.851 -4.570 -11.733 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.600 -5.775 -12.321 1.00 0.00 N ATOM 0 H GLN A 36 -8.964 -7.673 -10.863 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.907 -9.634 -11.493 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.217 -6.955 -12.804 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.641 -7.896 -13.202 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.483 -7.621 -10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.051 -6.702 -10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.059 -6.684 -12.373 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.071 -4.945 -12.680 1.00 0.00 H new ATOM 574 N GLY A 37 -8.330 -9.779 -13.383 1.00 0.00 N ATOM 575 CA GLY A 37 -7.668 -10.443 -14.509 1.00 0.00 C ATOM 576 C GLY A 37 -7.588 -9.618 -15.801 1.00 0.00 C ATOM 577 O GLY A 37 -7.141 -10.143 -16.817 1.00 0.00 O ATOM 0 H GLY A 37 -7.669 -9.429 -12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.656 -10.713 -14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.196 -11.372 -14.723 1.00 0.00 H new ATOM 581 N LYS A 38 -8.041 -8.356 -15.789 1.00 0.00 N ATOM 582 CA LYS A 38 -8.546 -7.651 -16.981 1.00 0.00 C ATOM 583 C LYS A 38 -7.507 -6.789 -17.723 1.00 0.00 C ATOM 584 O LYS A 38 -7.804 -6.224 -18.772 1.00 0.00 O ATOM 585 CB LYS A 38 -9.796 -6.866 -16.545 1.00 0.00 C ATOM 586 CG LYS A 38 -10.733 -6.466 -17.699 1.00 0.00 C ATOM 587 CD LYS A 38 -12.040 -5.882 -17.144 1.00 0.00 C ATOM 588 CE LYS A 38 -12.937 -5.341 -18.263 1.00 0.00 C ATOM 589 NZ LYS A 38 -12.547 -3.979 -18.692 1.00 0.00 N ATOM 0 H LYS A 38 -8.068 -7.788 -14.942 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.801 -8.388 -17.742 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.357 -7.468 -15.830 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.479 -5.964 -16.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.241 -5.733 -18.339 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.949 -7.336 -18.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.575 -6.651 -16.588 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.812 -5.081 -16.441 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.892 -6.015 -19.118 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.972 -5.329 -17.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.128 -3.692 -19.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.695 -3.312 -17.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.543 -3.975 -18.965 1.00 0.00 H new ATOM 603 N SER A 39 -6.291 -6.678 -17.193 1.00 0.00 N ATOM 604 CA SER A 39 -5.168 -5.941 -17.780 1.00 0.00 C ATOM 605 C SER A 39 -4.384 -6.739 -18.829 1.00 0.00 C ATOM 606 O SER A 39 -4.380 -7.969 -18.814 1.00 0.00 O ATOM 607 CB SER A 39 -4.220 -5.561 -16.642 1.00 0.00 C ATOM 608 OG SER A 39 -3.901 -6.707 -15.874 1.00 0.00 O ATOM 0 H SER A 39 -6.048 -7.117 -16.305 1.00 0.00 H new ATOM 0 HA SER A 39 -5.577 -5.073 -18.296 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.310 -5.120 -17.048 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.684 -4.806 -16.008 1.00 0.00 H new ATOM 0 HG SER A 39 -3.047 -7.078 -16.179 1.00 0.00 H new ATOM 614 N LYS A 40 -3.619 -6.021 -19.667 1.00 0.00 N ATOM 615 CA LYS A 40 -2.536 -6.569 -20.498 1.00 0.00 C ATOM 616 C LYS A 40 -1.169 -5.892 -20.256 1.00 0.00 C ATOM 617 O LYS A 40 -0.133 -6.473 -20.608 1.00 0.00 O ATOM 618 CB LYS A 40 -2.967 -6.495 -21.976 1.00 0.00 C ATOM 619 CG LYS A 40 -1.959 -7.053 -23.003 1.00 0.00 C ATOM 620 CD LYS A 40 -1.379 -8.454 -22.736 1.00 0.00 C ATOM 621 CE LYS A 40 -0.039 -8.692 -23.452 1.00 0.00 C ATOM 622 NZ LYS A 40 0.960 -7.654 -23.100 1.00 0.00 N ATOM 0 H LYS A 40 -3.741 -5.016 -19.788 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.378 -7.608 -20.211 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.906 -7.036 -22.088 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.168 -5.453 -22.223 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.446 -7.070 -23.978 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.127 -6.352 -23.074 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.241 -8.586 -21.663 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.097 -9.207 -23.060 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.348 -9.675 -23.184 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.197 -8.694 -24.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.886 -8.101 -22.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.032 -6.965 -23.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.663 -7.167 -22.230 1.00 0.00 H new ATOM 636 N LEU A 41 -1.131 -4.714 -19.614 1.00 0.00 N ATOM 637 CA LEU A 41 0.120 -4.044 -19.212 1.00 0.00 C ATOM 638 C LEU A 41 -0.050 -3.304 -17.871 1.00 0.00 C ATOM 639 O LEU A 41 -1.055 -2.622 -17.678 1.00 0.00 O ATOM 640 CB LEU A 41 0.538 -3.160 -20.408 1.00 0.00 C ATOM 641 CG LEU A 41 1.562 -2.016 -20.292 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.028 -0.843 -19.477 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.952 -2.441 -19.819 1.00 0.00 C ATOM 0 H LEU A 41 -1.971 -4.195 -19.357 1.00 0.00 H new ATOM 0 HA LEU A 41 0.928 -4.746 -19.005 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.916 -3.836 -21.174 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.378 -2.716 -20.799 1.00 0.00 H new ATOM 0 HG LEU A 41 1.703 -1.680 -21.319 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.786 -0.062 -19.424 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.132 -0.447 -19.954 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.784 -1.181 -18.470 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.602 -1.568 -19.769 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.877 -2.895 -18.831 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.369 -3.164 -20.520 1.00 0.00 H new ATOM 655 N ILE A 42 0.937 -3.411 -16.965 1.00 0.00 N ATOM 656 CA ILE A 42 1.098 -2.548 -15.787 1.00 0.00 C ATOM 657 C ILE A 42 2.334 -1.651 -15.926 1.00 0.00 C ATOM 658 O ILE A 42 3.414 -2.110 -16.305 1.00 0.00 O ATOM 659 CB ILE A 42 1.111 -3.311 -14.438 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.352 -4.177 -14.127 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.133 -4.183 -14.249 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.348 -4.687 -12.681 1.00 0.00 C ATOM 0 H ILE A 42 1.665 -4.122 -17.036 1.00 0.00 H new ATOM 0 HA ILE A 42 0.206 -1.922 -15.759 1.00 0.00 H new ATOM 0 HB ILE A 42 1.134 -2.483 -13.730 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.383 -5.025 -14.811 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.255 -3.593 -14.303 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.075 -4.696 -13.289 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.024 -3.556 -14.272 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.187 -4.919 -15.051 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.238 -5.291 -12.506 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.344 -3.839 -11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.459 -5.294 -12.512 1.00 0.00 H new ATOM 674 N ILE A 43 2.172 -0.371 -15.579 1.00 0.00 N ATOM 675 CA ILE A 43 3.268 0.575 -15.382 1.00 0.00 C ATOM 676 C ILE A 43 3.487 0.735 -13.883 1.00 0.00 C ATOM 677 O ILE A 43 2.536 0.995 -13.143 1.00 0.00 O ATOM 678 CB ILE A 43 2.960 1.965 -15.972 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.481 1.973 -17.433 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.188 2.878 -15.809 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.473 1.374 -18.431 1.00 0.00 C ATOM 0 H ILE A 43 1.253 0.043 -15.424 1.00 0.00 H new ATOM 0 HA ILE A 43 4.148 0.182 -15.891 1.00 0.00 H new ATOM 0 HB ILE A 43 2.111 2.340 -15.401 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.543 1.421 -17.497 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.267 3.001 -17.726 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.969 3.861 -16.227 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.428 2.979 -14.751 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.038 2.442 -16.334 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.052 1.421 -19.435 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.405 1.939 -18.401 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.670 0.334 -18.169 1.00 0.00 H new ATOM 693 N ILE A 44 4.744 0.648 -13.452 1.00 0.00 N ATOM 694 CA ILE A 44 5.137 0.968 -12.084 1.00 0.00 C ATOM 695 C ILE A 44 6.232 2.037 -12.155 1.00 0.00 C ATOM 696 O ILE A 44 7.418 1.726 -12.294 1.00 0.00 O ATOM 697 CB ILE A 44 5.524 -0.299 -11.278 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.501 -1.464 -11.400 1.00 0.00 C ATOM 699 CG2 ILE A 44 5.670 0.121 -9.804 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.077 -2.821 -10.991 1.00 0.00 C ATOM 0 H ILE A 44 5.520 0.353 -14.045 1.00 0.00 H new ATOM 0 HA ILE A 44 4.297 1.377 -11.523 1.00 0.00 H new ATOM 0 HB ILE A 44 6.455 -0.689 -11.689 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.634 -1.243 -10.778 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.148 -1.522 -12.430 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.943 -0.747 -9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.447 0.881 -9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.724 0.527 -9.446 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.311 -3.589 -11.100 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.927 -3.063 -11.629 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.404 -2.779 -9.952 1.00 0.00 H new ATOM 712 N ALA A 45 5.830 3.314 -12.110 1.00 0.00 N ATOM 713 CA ALA A 45 6.745 4.448 -12.070 1.00 0.00 C ATOM 714 C ALA A 45 7.078 4.852 -10.627 1.00 0.00 C ATOM 715 O ALA A 45 6.638 5.889 -10.120 1.00 0.00 O ATOM 716 CB ALA A 45 6.223 5.609 -12.923 1.00 0.00 C ATOM 0 H ALA A 45 4.847 3.585 -12.100 1.00 0.00 H new ATOM 0 HA ALA A 45 7.691 4.142 -12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.926 6.441 -12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.119 5.282 -13.958 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.253 5.931 -12.545 1.00 0.00 H new ATOM 722 N ALA A 46 7.856 3.983 -9.976 1.00 0.00 N ATOM 723 CA ALA A 46 8.541 4.206 -8.709 1.00 0.00 C ATOM 724 C ALA A 46 9.679 3.183 -8.561 1.00 0.00 C ATOM 725 O ALA A 46 9.530 2.036 -9.000 1.00 0.00 O ATOM 726 CB ALA A 46 7.532 4.038 -7.566 1.00 0.00 C ATOM 0 H ALA A 46 8.032 3.049 -10.346 1.00 0.00 H new ATOM 0 HA ALA A 46 8.961 5.211 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.032 4.202 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.726 4.763 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.119 3.029 -7.590 1.00 0.00 H new ATOM 732 N ASN A 47 10.774 3.556 -7.884 1.00 0.00 N ATOM 733 CA ASN A 47 11.856 2.644 -7.496 1.00 0.00 C ATOM 734 C ASN A 47 11.399 1.706 -6.362 1.00 0.00 C ATOM 735 O ASN A 47 11.780 1.840 -5.199 1.00 0.00 O ATOM 736 CB ASN A 47 13.128 3.446 -7.192 1.00 0.00 C ATOM 737 CG ASN A 47 14.330 2.522 -7.165 1.00 0.00 C ATOM 738 OD1 ASN A 47 15.036 2.368 -8.152 1.00 0.00 O ATOM 739 ND2 ASN A 47 14.537 1.830 -6.065 1.00 0.00 N ATOM 0 H ASN A 47 10.934 4.518 -7.586 1.00 0.00 H new ATOM 0 HA ASN A 47 12.109 1.982 -8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.270 4.219 -7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.027 3.953 -6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.297 1.151 -6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.937 1.973 -5.252 1.00 0.00 H new ATOM 746 N THR A 48 10.516 0.790 -6.752 1.00 0.00 N ATOM 747 CA THR A 48 9.543 0.089 -5.919 1.00 0.00 C ATOM 748 C THR A 48 10.204 -1.042 -5.117 1.00 0.00 C ATOM 749 O THR A 48 10.911 -1.860 -5.708 1.00 0.00 O ATOM 750 CB THR A 48 8.435 -0.458 -6.836 1.00 0.00 C ATOM 751 OG1 THR A 48 7.843 0.602 -7.554 1.00 0.00 O ATOM 752 CG2 THR A 48 7.280 -1.107 -6.080 1.00 0.00 C ATOM 0 H THR A 48 10.458 0.498 -7.727 1.00 0.00 H new ATOM 0 HA THR A 48 9.118 0.780 -5.191 1.00 0.00 H new ATOM 0 HB THR A 48 8.930 -1.196 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.406 0.832 -8.322 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.537 -1.469 -6.791 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.655 -1.943 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.821 -0.373 -5.418 1.00 0.00 H new ATOM 760 N PRO A 49 9.979 -1.136 -3.789 1.00 0.00 N ATOM 761 CA PRO A 49 10.626 -2.144 -2.951 1.00 0.00 C ATOM 762 C PRO A 49 10.148 -3.565 -3.279 1.00 0.00 C ATOM 763 O PRO A 49 9.017 -3.781 -3.722 1.00 0.00 O ATOM 764 CB PRO A 49 10.311 -1.740 -1.507 1.00 0.00 C ATOM 765 CG PRO A 49 8.994 -0.979 -1.628 1.00 0.00 C ATOM 766 CD PRO A 49 9.126 -0.277 -2.978 1.00 0.00 C ATOM 0 HA PRO A 49 11.702 -2.175 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.213 -2.611 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.098 -1.115 -1.084 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.136 -1.651 -1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.863 -0.266 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.151 -0.141 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.565 0.714 -2.862 1.00 0.00 H new ATOM 774 N VAL A 50 11.024 -4.543 -3.014 1.00 0.00 N ATOM 775 CA VAL A 50 10.942 -5.926 -3.512 1.00 0.00 C ATOM 776 C VAL A 50 9.585 -6.581 -3.246 1.00 0.00 C ATOM 777 O VAL A 50 9.015 -7.175 -4.158 1.00 0.00 O ATOM 778 CB VAL A 50 12.094 -6.791 -2.952 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.060 -8.219 -3.520 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.466 -6.188 -3.292 1.00 0.00 C ATOM 0 H VAL A 50 11.842 -4.388 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 50 11.048 -5.866 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 50 11.952 -6.817 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.885 -8.796 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.115 -8.693 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.156 -8.181 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.253 -6.821 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.577 -6.124 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.542 -5.190 -2.860 1.00 0.00 H new ATOM 790 N LEU A 51 9.042 -6.469 -2.030 1.00 0.00 N ATOM 791 CA LEU A 51 7.748 -7.063 -1.672 1.00 0.00 C ATOM 792 C LEU A 51 6.554 -6.387 -2.369 1.00 0.00 C ATOM 793 O LEU A 51 5.507 -7.012 -2.553 1.00 0.00 O ATOM 794 CB LEU A 51 7.562 -6.993 -0.144 1.00 0.00 C ATOM 795 CG LEU A 51 8.627 -7.743 0.683 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.349 -7.538 2.174 1.00 0.00 C ATOM 797 CD2 LEU A 51 8.646 -9.247 0.391 1.00 0.00 C ATOM 0 H LEU A 51 9.487 -5.963 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 51 7.766 -8.097 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.562 -5.946 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.581 -7.397 0.105 1.00 0.00 H new ATOM 0 HG LEU A 51 9.598 -7.334 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.100 -8.067 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.389 -6.474 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.360 -7.926 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.413 -9.726 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.673 -9.676 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.865 -9.410 -0.664 1.00 0.00 H new ATOM 809 N ARG A 52 6.677 -5.104 -2.741 1.00 0.00 N ATOM 810 CA ARG A 52 5.580 -4.342 -3.344 1.00 0.00 C ATOM 811 C ARG A 52 5.624 -4.468 -4.863 1.00 0.00 C ATOM 812 O ARG A 52 4.581 -4.725 -5.463 1.00 0.00 O ATOM 813 CB ARG A 52 5.599 -2.887 -2.829 1.00 0.00 C ATOM 814 CG ARG A 52 4.177 -2.300 -2.760 1.00 0.00 C ATOM 815 CD ARG A 52 3.460 -2.637 -1.428 1.00 0.00 C ATOM 816 NE ARG A 52 3.685 -4.036 -1.008 1.00 0.00 N ATOM 817 CZ ARG A 52 2.809 -5.027 -0.919 1.00 0.00 C ATOM 818 NH1 ARG A 52 1.525 -4.843 -0.767 1.00 0.00 N ATOM 819 NH2 ARG A 52 3.204 -6.270 -1.027 1.00 0.00 N ATOM 0 H ARG A 52 7.539 -4.569 -2.631 1.00 0.00 H new ATOM 0 HA ARG A 52 4.619 -4.756 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.057 -2.855 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.216 -2.274 -3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.228 -1.218 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.588 -2.684 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.814 -1.964 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.390 -2.461 -1.539 1.00 0.00 H new ATOM 0 HE ARG A 52 4.644 -4.271 -0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.149 -3.897 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.899 -5.646 -0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.190 -6.480 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.526 -7.029 -0.958 1.00 0.00 H new ATOM 833 N LYS A 53 6.825 -4.421 -5.463 1.00 0.00 N ATOM 834 CA LYS A 53 7.003 -4.772 -6.876 1.00 0.00 C ATOM 835 C LYS A 53 6.534 -6.207 -7.102 1.00 0.00 C ATOM 836 O LYS A 53 5.705 -6.439 -7.973 1.00 0.00 O ATOM 837 CB LYS A 53 8.434 -4.460 -7.386 1.00 0.00 C ATOM 838 CG LYS A 53 9.565 -5.492 -7.210 1.00 0.00 C ATOM 839 CD LYS A 53 9.622 -6.577 -8.300 1.00 0.00 C ATOM 840 CE LYS A 53 10.711 -7.620 -8.010 1.00 0.00 C ATOM 841 NZ LYS A 53 10.181 -9.003 -8.054 1.00 0.00 N ATOM 0 H LYS A 53 7.685 -4.143 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 53 6.373 -4.135 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.357 -4.245 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.757 -3.541 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.519 -4.965 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.449 -5.976 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.654 -7.073 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.813 -6.111 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.515 -7.517 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.144 -7.429 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.972 -9.678 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.570 -9.167 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.629 -9.136 -8.925 1.00 0.00 H new ATOM 855 N SER A 54 6.986 -7.150 -6.260 1.00 0.00 N ATOM 856 CA SER A 54 6.654 -8.569 -6.407 1.00 0.00 C ATOM 857 C SER A 54 5.163 -8.851 -6.249 1.00 0.00 C ATOM 858 O SER A 54 4.663 -9.685 -6.989 1.00 0.00 O ATOM 859 CB SER A 54 7.449 -9.466 -5.458 1.00 0.00 C ATOM 860 OG SER A 54 8.830 -9.200 -5.599 1.00 0.00 O ATOM 0 H SER A 54 7.589 -6.948 -5.463 1.00 0.00 H new ATOM 0 HA SER A 54 6.940 -8.814 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.138 -9.289 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.246 -10.514 -5.677 1.00 0.00 H new ATOM 0 HG SER A 54 9.030 -8.310 -5.240 1.00 0.00 H new ATOM 866 N GLU A 55 4.428 -8.170 -5.354 1.00 0.00 N ATOM 867 CA GLU A 55 2.968 -8.337 -5.323 1.00 0.00 C ATOM 868 C GLU A 55 2.288 -7.842 -6.621 1.00 0.00 C ATOM 869 O GLU A 55 1.442 -8.549 -7.169 1.00 0.00 O ATOM 870 CB GLU A 55 2.391 -7.651 -4.074 1.00 0.00 C ATOM 871 CG GLU A 55 1.032 -8.239 -3.669 1.00 0.00 C ATOM 872 CD GLU A 55 0.325 -7.366 -2.625 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.809 -7.310 -1.471 1.00 0.00 O ATOM 874 OE2 GLU A 55 -0.661 -6.669 -2.989 1.00 0.00 O ATOM 0 H GLU A 55 4.806 -7.520 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 55 2.752 -9.404 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.092 -7.756 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.281 -6.583 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.400 -8.335 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.175 -9.242 -3.268 1.00 0.00 H new ATOM 881 N LEU A 56 2.686 -6.680 -7.165 1.00 0.00 N ATOM 882 CA LEU A 56 2.193 -6.192 -8.471 1.00 0.00 C ATOM 883 C LEU A 56 2.500 -7.146 -9.621 1.00 0.00 C ATOM 884 O LEU A 56 1.645 -7.450 -10.449 1.00 0.00 O ATOM 885 CB LEU A 56 2.719 -4.778 -8.743 1.00 0.00 C ATOM 886 CG LEU A 56 2.139 -3.737 -7.769 1.00 0.00 C ATOM 887 CD1 LEU A 56 2.165 -2.386 -8.450 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.685 -4.011 -7.391 1.00 0.00 C ATOM 0 H LEU A 56 3.355 -6.053 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 56 1.105 -6.151 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.806 -4.777 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.472 -4.492 -9.765 1.00 0.00 H new ATOM 0 HG LEU A 56 2.744 -3.777 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.758 -1.631 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.192 -2.127 -8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.564 -2.425 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.337 -3.241 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.067 -4.001 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.612 -4.987 -6.911 1.00 0.00 H new ATOM 900 N GLU A 57 3.725 -7.643 -9.613 1.00 0.00 N ATOM 901 CA GLU A 57 4.262 -8.665 -10.516 1.00 0.00 C ATOM 902 C GLU A 57 3.492 -9.997 -10.398 1.00 0.00 C ATOM 903 O GLU A 57 3.157 -10.615 -11.409 1.00 0.00 O ATOM 904 CB GLU A 57 5.756 -8.796 -10.192 1.00 0.00 C ATOM 905 CG GLU A 57 6.670 -9.323 -11.297 1.00 0.00 C ATOM 906 CD GLU A 57 8.093 -8.852 -10.972 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.416 -7.689 -11.321 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.816 -9.580 -10.255 1.00 0.00 O ATOM 0 H GLU A 57 4.420 -7.329 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 57 4.137 -8.375 -11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.123 -7.815 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.857 -9.453 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.627 -10.411 -11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.353 -8.947 -12.270 1.00 0.00 H new ATOM 915 N TYR A 58 3.125 -10.405 -9.175 1.00 0.00 N ATOM 916 CA TYR A 58 2.253 -11.547 -8.895 1.00 0.00 C ATOM 917 C TYR A 58 0.860 -11.351 -9.507 1.00 0.00 C ATOM 918 O TYR A 58 0.354 -12.250 -10.176 1.00 0.00 O ATOM 919 CB TYR A 58 2.175 -11.779 -7.378 1.00 0.00 C ATOM 920 CG TYR A 58 1.705 -13.156 -6.962 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.644 -14.199 -6.874 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.362 -13.381 -6.601 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.242 -15.479 -6.446 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.041 -14.652 -6.149 1.00 0.00 C ATOM 925 CZ TYR A 58 0.898 -15.707 -6.083 1.00 0.00 C ATOM 926 OH TYR A 58 0.517 -16.942 -5.656 1.00 0.00 O ATOM 0 H TYR A 58 3.439 -9.931 -8.328 1.00 0.00 H new ATOM 0 HA TYR A 58 2.679 -12.435 -9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.161 -11.604 -6.948 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.503 -11.037 -6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.676 -14.018 -7.135 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.358 -12.579 -6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.961 -16.284 -6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.066 -14.821 -5.853 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.440 -16.934 -5.444 1.00 0.00 H new ATOM 936 N TYR A 59 0.237 -10.176 -9.342 1.00 0.00 N ATOM 937 CA TYR A 59 -1.035 -9.888 -10.013 1.00 0.00 C ATOM 938 C TYR A 59 -0.899 -9.799 -11.544 1.00 0.00 C ATOM 939 O TYR A 59 -1.789 -10.268 -12.262 1.00 0.00 O ATOM 940 CB TYR A 59 -1.669 -8.611 -9.467 1.00 0.00 C ATOM 941 CG TYR A 59 -1.852 -8.532 -7.966 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.488 -9.568 -7.253 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.408 -7.386 -7.287 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.666 -9.463 -5.860 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.589 -7.271 -5.903 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.234 -8.299 -5.185 1.00 0.00 C ATOM 947 OH TYR A 59 -2.462 -8.140 -3.853 1.00 0.00 O ATOM 0 H TYR A 59 0.589 -9.419 -8.757 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.689 -10.733 -9.796 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.056 -7.766 -9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.645 -8.488 -9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.840 -10.445 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.925 -6.590 -7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.130 -10.268 -5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.234 -6.393 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.109 -7.273 -3.562 1.00 0.00 H new ATOM 957 N ALA A 60 0.209 -9.251 -12.063 1.00 0.00 N ATOM 958 CA ALA A 60 0.547 -9.291 -13.484 1.00 0.00 C ATOM 959 C ALA A 60 0.646 -10.734 -14.044 1.00 0.00 C ATOM 960 O ALA A 60 0.247 -10.981 -15.183 1.00 0.00 O ATOM 961 CB ALA A 60 1.837 -8.505 -13.727 1.00 0.00 C ATOM 0 H ALA A 60 0.902 -8.762 -11.496 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.270 -8.820 -14.031 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.088 -8.536 -14.787 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.696 -7.469 -13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.648 -8.949 -13.149 1.00 0.00 H new ATOM 967 N MET A 61 1.145 -11.675 -13.227 1.00 0.00 N ATOM 968 CA MET A 61 1.249 -13.117 -13.497 1.00 0.00 C ATOM 969 C MET A 61 -0.080 -13.887 -13.325 1.00 0.00 C ATOM 970 O MET A 61 -0.319 -14.848 -14.063 1.00 0.00 O ATOM 971 CB MET A 61 2.331 -13.688 -12.562 1.00 0.00 C ATOM 972 CG MET A 61 2.599 -15.187 -12.739 1.00 0.00 C ATOM 973 SD MET A 61 3.712 -15.893 -11.494 1.00 0.00 S ATOM 974 CE MET A 61 2.627 -15.883 -10.037 1.00 0.00 C ATOM 0 H MET A 61 1.508 -11.434 -12.305 1.00 0.00 H new ATOM 0 HA MET A 61 1.514 -13.247 -14.546 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.261 -13.144 -12.728 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.034 -13.504 -11.529 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.649 -15.721 -12.706 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.025 -15.355 -13.728 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.080 -16.476 -9.242 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.490 -14.858 -9.692 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.659 -16.309 -10.301 1.00 0.00 H new ATOM 984 N LEU A 62 -0.934 -13.498 -12.365 1.00 0.00 N ATOM 985 CA LEU A 62 -2.290 -14.040 -12.173 1.00 0.00 C ATOM 986 C LEU A 62 -3.226 -13.623 -13.317 1.00 0.00 C ATOM 987 O LEU A 62 -3.809 -14.484 -13.979 1.00 0.00 O ATOM 988 CB LEU A 62 -2.868 -13.578 -10.825 1.00 0.00 C ATOM 989 CG LEU A 62 -2.273 -14.274 -9.586 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.770 -13.538 -8.341 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.697 -15.742 -9.477 1.00 0.00 C ATOM 0 H LEU A 62 -0.695 -12.779 -11.682 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.215 -15.127 -12.175 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.711 -12.504 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.945 -13.744 -10.833 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.187 -14.246 -9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.361 -14.014 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.445 -12.498 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.859 -13.577 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.250 -16.185 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.783 -15.803 -9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.360 -16.285 -10.360 1.00 0.00 H new ATOM 1003 N SER A 63 -3.306 -12.315 -13.593 1.00 0.00 N ATOM 1004 CA SER A 63 -3.727 -11.775 -14.896 1.00 0.00 C ATOM 1005 C SER A 63 -2.743 -12.214 -16.001 1.00 0.00 C ATOM 1006 O SER A 63 -1.881 -13.055 -15.761 1.00 0.00 O ATOM 1007 CB SER A 63 -3.861 -10.249 -14.811 1.00 0.00 C ATOM 1008 OG SER A 63 -2.604 -9.639 -14.599 1.00 0.00 O ATOM 0 H SER A 63 -3.078 -11.592 -12.911 1.00 0.00 H new ATOM 0 HA SER A 63 -4.706 -12.177 -15.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.303 -9.868 -15.732 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.538 -9.985 -13.999 1.00 0.00 H new ATOM 0 HG SER A 63 -2.443 -9.548 -13.637 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.871 -11.737 -17.245 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.892 -12.056 -18.303 1.00 0.00 C ATOM 1016 C LYS A 64 -1.295 -10.767 -18.851 1.00 0.00 C ATOM 1017 O LYS A 64 -1.667 -10.287 -19.918 1.00 0.00 O ATOM 1018 CB LYS A 64 -2.485 -13.031 -19.338 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.871 -14.393 -18.717 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.676 -15.267 -18.276 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.095 -16.314 -17.233 1.00 0.00 C ATOM 1022 NZ LYS A 64 -2.153 -15.740 -15.865 1.00 0.00 N ATOM 0 H LYS A 64 -3.635 -11.133 -17.547 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.046 -12.610 -17.897 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.367 -12.580 -19.793 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.761 -13.192 -20.137 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.510 -14.214 -17.853 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.464 -14.952 -19.441 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.251 -15.769 -19.145 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.894 -14.632 -17.861 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.071 -16.720 -17.498 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.389 -17.145 -17.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.861 -16.254 -15.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.221 -15.828 -15.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.417 -14.736 -15.921 1.00 0.00 H new ATOM 1036 N THR A 65 -0.392 -10.194 -18.053 1.00 0.00 N ATOM 1037 CA THR A 65 -0.074 -8.766 -18.072 1.00 0.00 C ATOM 1038 C THR A 65 1.436 -8.536 -18.094 1.00 0.00 C ATOM 1039 O THR A 65 2.169 -9.129 -17.306 1.00 0.00 O ATOM 1040 CB THR A 65 -0.674 -8.143 -16.809 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.068 -8.335 -16.747 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.447 -6.652 -16.656 1.00 0.00 C ATOM 0 H THR A 65 0.147 -10.718 -17.364 1.00 0.00 H new ATOM 0 HA THR A 65 -0.488 -8.309 -18.971 1.00 0.00 H new ATOM 0 HB THR A 65 -0.147 -8.661 -16.008 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.316 -8.642 -15.850 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.910 -6.307 -15.731 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.623 -6.448 -16.624 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.891 -6.128 -17.502 1.00 0.00 H new ATOM 1050 N LYS A 66 1.907 -7.642 -18.972 1.00 0.00 N ATOM 1051 CA LYS A 66 3.316 -7.226 -19.021 1.00 0.00 C ATOM 1052 C LYS A 66 3.619 -6.190 -17.934 1.00 0.00 C ATOM 1053 O LYS A 66 2.752 -5.391 -17.588 1.00 0.00 O ATOM 1054 CB LYS A 66 3.607 -6.670 -20.423 1.00 0.00 C ATOM 1055 CG LYS A 66 5.099 -6.507 -20.772 1.00 0.00 C ATOM 1056 CD LYS A 66 5.856 -7.847 -20.790 1.00 0.00 C ATOM 1057 CE LYS A 66 7.299 -7.718 -21.291 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.360 -7.479 -22.750 1.00 0.00 N ATOM 0 H LYS A 66 1.321 -7.185 -19.671 1.00 0.00 H new ATOM 0 HA LYS A 66 3.963 -8.082 -18.829 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.149 -7.330 -21.160 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.121 -5.699 -20.519 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.189 -6.031 -21.748 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.566 -5.840 -20.047 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.864 -8.266 -19.784 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.319 -8.552 -21.425 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.792 -6.898 -20.768 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.849 -8.627 -21.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.344 -7.566 -23.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.769 -8.180 -23.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.010 -6.523 -22.960 1.00 0.00 H new ATOM 1072 N VAL A 67 4.855 -6.161 -17.433 1.00 0.00 N ATOM 1073 CA VAL A 67 5.306 -5.240 -16.380 1.00 0.00 C ATOM 1074 C VAL A 67 6.335 -4.261 -16.941 1.00 0.00 C ATOM 1075 O VAL A 67 7.318 -4.682 -17.552 1.00 0.00 O ATOM 1076 CB VAL A 67 5.898 -6.020 -15.188 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.212 -5.085 -14.015 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.937 -7.106 -14.691 1.00 0.00 C ATOM 0 H VAL A 67 5.590 -6.791 -17.754 1.00 0.00 H new ATOM 0 HA VAL A 67 4.444 -4.676 -16.023 1.00 0.00 H new ATOM 0 HB VAL A 67 6.816 -6.484 -15.549 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.628 -5.663 -13.190 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.935 -4.334 -14.332 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.297 -4.592 -13.687 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.388 -7.634 -13.851 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.002 -6.646 -14.371 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.736 -7.811 -15.498 1.00 0.00 H new ATOM 1088 N TYR A 68 6.121 -2.961 -16.715 1.00 0.00 N ATOM 1089 CA TYR A 68 7.026 -1.890 -17.127 1.00 0.00 C ATOM 1090 C TYR A 68 7.426 -1.011 -15.927 1.00 0.00 C ATOM 1091 O TYR A 68 6.650 -0.180 -15.444 1.00 0.00 O ATOM 1092 CB TYR A 68 6.378 -1.099 -18.267 1.00 0.00 C ATOM 1093 CG TYR A 68 7.292 -0.065 -18.893 1.00 0.00 C ATOM 1094 CD1 TYR A 68 7.406 1.208 -18.307 1.00 0.00 C ATOM 1095 CD2 TYR A 68 8.042 -0.378 -20.043 1.00 0.00 C ATOM 1096 CE1 TYR A 68 8.282 2.160 -18.852 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.905 0.582 -20.609 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.026 1.857 -20.008 1.00 0.00 C ATOM 1099 OH TYR A 68 9.837 2.808 -20.543 1.00 0.00 O ATOM 0 H TYR A 68 5.292 -2.619 -16.228 1.00 0.00 H new ATOM 0 HA TYR A 68 7.958 -2.312 -17.504 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.050 -1.795 -19.039 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.486 -0.600 -17.889 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.818 1.454 -17.435 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.956 -1.356 -20.492 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.385 3.127 -18.383 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.471 0.345 -21.498 1.00 0.00 H new ATOM 0 HH TYR A 68 10.284 2.448 -21.337 1.00 0.00 H new ATOM 1109 N TYR A 69 8.654 -1.211 -15.439 1.00 0.00 N ATOM 1110 CA TYR A 69 9.261 -0.435 -14.358 1.00 0.00 C ATOM 1111 C TYR A 69 9.797 0.910 -14.873 1.00 0.00 C ATOM 1112 O TYR A 69 10.973 1.050 -15.208 1.00 0.00 O ATOM 1113 CB TYR A 69 10.346 -1.276 -13.663 1.00 0.00 C ATOM 1114 CG TYR A 69 9.766 -2.409 -12.839 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.043 -2.097 -11.672 1.00 0.00 C ATOM 1116 CD2 TYR A 69 9.899 -3.753 -13.247 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.414 -3.117 -10.941 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.278 -4.779 -12.505 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.511 -4.460 -11.366 1.00 0.00 C ATOM 1120 OH TYR A 69 7.843 -5.437 -10.694 1.00 0.00 O ATOM 0 H TYR A 69 9.270 -1.940 -15.798 1.00 0.00 H new ATOM 0 HA TYR A 69 8.500 -0.194 -13.616 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.020 -1.686 -14.415 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.943 -0.631 -13.018 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.972 -1.072 -11.339 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.476 -3.996 -14.127 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.854 -2.874 -10.050 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.390 -5.809 -12.809 1.00 0.00 H new ATOM 0 HH TYR A 69 7.802 -6.245 -11.247 1.00 0.00 H new ATOM 1130 N PHE A 70 8.941 1.937 -14.887 1.00 0.00 N ATOM 1131 CA PHE A 70 9.285 3.328 -15.232 1.00 0.00 C ATOM 1132 C PHE A 70 9.947 3.994 -14.003 1.00 0.00 C ATOM 1133 O PHE A 70 9.568 5.079 -13.567 1.00 0.00 O ATOM 1134 CB PHE A 70 7.986 4.007 -15.711 1.00 0.00 C ATOM 1135 CG PHE A 70 8.010 5.341 -16.461 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.019 6.317 -16.306 1.00 0.00 C ATOM 1137 CD2 PHE A 70 6.919 5.632 -17.306 1.00 0.00 C ATOM 1138 CE1 PHE A 70 8.907 7.566 -16.946 1.00 0.00 C ATOM 1139 CE2 PHE A 70 6.825 6.869 -17.967 1.00 0.00 C ATOM 1140 CZ PHE A 70 7.815 7.844 -17.781 1.00 0.00 C ATOM 0 H PHE A 70 7.955 1.823 -14.651 1.00 0.00 H new ATOM 0 HA PHE A 70 10.013 3.410 -16.039 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.473 3.292 -16.354 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.360 4.150 -14.830 1.00 0.00 H new ATOM 0 HD1 PHE A 70 9.882 6.104 -15.693 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.144 4.893 -17.447 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.668 8.316 -16.793 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.988 7.069 -18.620 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.737 8.801 -18.276 1.00 0.00 H new ATOM 1150 N GLN A 71 10.896 3.294 -13.373 1.00 0.00 N ATOM 1151 CA GLN A 71 11.234 3.468 -11.957 1.00 0.00 C ATOM 1152 C GLN A 71 12.038 4.734 -11.609 1.00 0.00 C ATOM 1153 O GLN A 71 12.304 4.977 -10.432 1.00 0.00 O ATOM 1154 CB GLN A 71 11.920 2.192 -11.446 1.00 0.00 C ATOM 1155 CG GLN A 71 13.362 1.984 -11.930 1.00 0.00 C ATOM 1156 CD GLN A 71 13.917 0.658 -11.418 1.00 0.00 C ATOM 1157 OE1 GLN A 71 13.754 -0.380 -12.039 1.00 0.00 O ATOM 1158 NE2 GLN A 71 14.572 0.621 -10.272 1.00 0.00 N ATOM 0 H GLN A 71 11.458 2.581 -13.838 1.00 0.00 H new ATOM 0 HA GLN A 71 10.290 3.630 -11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.919 2.210 -10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.324 1.332 -11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.391 2.000 -13.020 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.989 2.805 -11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.717 1.479 -9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.933 -0.265 -9.919 1.00 0.00 H new ATOM 1167 N GLY A 72 12.407 5.542 -12.610 1.00 0.00 N ATOM 1168 CA GLY A 72 13.010 6.861 -12.441 1.00 0.00 C ATOM 1169 C GLY A 72 12.118 7.769 -11.592 1.00 0.00 C ATOM 1170 O GLY A 72 11.055 8.180 -12.054 1.00 0.00 O ATOM 0 H GLY A 72 12.289 5.284 -13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.987 6.760 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.174 7.317 -13.417 1.00 0.00 H new ATOM 1174 N GLY A 73 12.553 8.060 -10.356 1.00 0.00 N ATOM 1175 CA GLY A 73 11.787 8.719 -9.288 1.00 0.00 C ATOM 1176 C GLY A 73 10.953 9.932 -9.714 1.00 0.00 C ATOM 1177 O GLY A 73 9.857 10.119 -9.189 1.00 0.00 O ATOM 0 H GLY A 73 13.501 7.829 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.120 7.983 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.482 9.035 -8.511 1.00 0.00 H new ATOM 1181 N ASN A 74 11.424 10.696 -10.710 1.00 0.00 N ATOM 1182 CA ASN A 74 10.706 11.739 -11.445 1.00 0.00 C ATOM 1183 C ASN A 74 9.236 11.391 -11.741 1.00 0.00 C ATOM 1184 O ASN A 74 8.367 12.256 -11.626 1.00 0.00 O ATOM 1185 CB ASN A 74 11.388 11.950 -12.810 1.00 0.00 C ATOM 1186 CG ASN A 74 12.875 12.258 -12.831 1.00 0.00 C ATOM 1187 OD1 ASN A 74 13.597 12.144 -11.853 1.00 0.00 O ATOM 1188 ND2 ASN A 74 13.367 12.604 -14.002 1.00 0.00 N ATOM 0 H ASN A 74 12.382 10.592 -11.044 1.00 0.00 H new ATOM 0 HA ASN A 74 10.730 12.624 -10.809 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.226 11.051 -13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.872 12.765 -13.317 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.366 12.782 -14.103 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.749 12.694 -14.808 1.00 0.00 H new ATOM 1195 N ASN A 75 8.985 10.141 -12.160 1.00 0.00 N ATOM 1196 CA ASN A 75 7.744 9.595 -12.708 1.00 0.00 C ATOM 1197 C ASN A 75 6.970 10.578 -13.611 1.00 0.00 C ATOM 1198 O ASN A 75 5.854 11.008 -13.305 1.00 0.00 O ATOM 1199 CB ASN A 75 6.925 8.888 -11.607 1.00 0.00 C ATOM 1200 CG ASN A 75 6.353 9.757 -10.495 1.00 0.00 C ATOM 1201 OD1 ASN A 75 5.182 10.119 -10.497 1.00 0.00 O ATOM 1202 ND2 ASN A 75 7.116 10.118 -9.486 1.00 0.00 N ATOM 0 H ASN A 75 9.713 9.428 -12.118 1.00 0.00 H new ATOM 0 HA ASN A 75 8.004 8.812 -13.420 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.097 8.365 -12.086 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.560 8.129 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.729 10.685 -8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.094 9.831 -9.458 1.00 0.00 H new ATOM 1209 N GLU A 76 7.554 10.923 -14.766 1.00 0.00 N ATOM 1210 CA GLU A 76 6.947 11.827 -15.757 1.00 0.00 C ATOM 1211 C GLU A 76 5.613 11.313 -16.330 1.00 0.00 C ATOM 1212 O GLU A 76 4.833 12.110 -16.858 1.00 0.00 O ATOM 1213 CB GLU A 76 7.940 12.119 -16.894 1.00 0.00 C ATOM 1214 CG GLU A 76 9.201 12.859 -16.411 1.00 0.00 C ATOM 1215 CD GLU A 76 10.368 11.943 -16.013 1.00 0.00 C ATOM 1216 OE1 GLU A 76 10.139 10.735 -15.751 1.00 0.00 O ATOM 1217 OE2 GLU A 76 11.518 12.450 -15.972 1.00 0.00 O ATOM 0 H GLU A 76 8.473 10.579 -15.044 1.00 0.00 H new ATOM 0 HA GLU A 76 6.714 12.749 -15.224 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.233 11.180 -17.364 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.444 12.717 -17.659 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.537 13.531 -17.201 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.936 13.480 -15.556 1.00 0.00 H new ATOM 1224 N LEU A 77 5.313 10.020 -16.131 1.00 0.00 N ATOM 1225 CA LEU A 77 4.039 9.356 -16.414 1.00 0.00 C ATOM 1226 C LEU A 77 2.814 10.109 -15.874 1.00 0.00 C ATOM 1227 O LEU A 77 1.744 10.042 -16.472 1.00 0.00 O ATOM 1228 CB LEU A 77 4.077 7.950 -15.805 1.00 0.00 C ATOM 1229 CG LEU A 77 2.911 7.052 -16.266 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.113 6.510 -17.684 1.00 0.00 C ATOM 1231 CD2 LEU A 77 2.793 5.904 -15.278 1.00 0.00 C ATOM 0 H LEU A 77 6.000 9.373 -15.744 1.00 0.00 H new ATOM 0 HA LEU A 77 3.927 9.326 -17.498 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.020 7.473 -16.070 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.055 8.032 -14.718 1.00 0.00 H new ATOM 0 HG LEU A 77 1.998 7.646 -16.292 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.264 5.884 -17.959 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.192 7.342 -18.384 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.027 5.917 -17.720 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.975 5.249 -15.577 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.724 5.338 -15.265 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.595 6.300 -14.282 1.00 0.00 H new ATOM 1243 N GLY A 78 2.958 10.862 -14.774 1.00 0.00 N ATOM 1244 CA GLY A 78 1.883 11.714 -14.259 1.00 0.00 C ATOM 1245 C GLY A 78 1.354 12.735 -15.279 1.00 0.00 C ATOM 1246 O GLY A 78 0.242 13.233 -15.116 1.00 0.00 O ATOM 0 H GLY A 78 3.815 10.896 -14.223 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.058 11.082 -13.931 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.245 12.247 -13.380 1.00 0.00 H new ATOM 1250 N THR A 79 2.105 13.005 -16.352 1.00 0.00 N ATOM 1251 CA THR A 79 1.654 13.783 -17.514 1.00 0.00 C ATOM 1252 C THR A 79 0.504 13.085 -18.258 1.00 0.00 C ATOM 1253 O THR A 79 -0.426 13.755 -18.694 1.00 0.00 O ATOM 1254 CB THR A 79 2.821 14.035 -18.487 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.017 14.351 -17.809 1.00 0.00 O ATOM 1256 CG2 THR A 79 2.530 15.181 -19.457 1.00 0.00 C ATOM 0 H THR A 79 3.068 12.681 -16.440 1.00 0.00 H new ATOM 0 HA THR A 79 1.286 14.737 -17.136 1.00 0.00 H new ATOM 0 HB THR A 79 2.936 13.102 -19.038 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.573 13.547 -17.734 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.382 15.320 -20.122 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.645 14.943 -20.046 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.355 16.098 -18.895 1.00 0.00 H new ATOM 1264 N ALA A 80 0.541 11.751 -18.387 1.00 0.00 N ATOM 1265 CA ALA A 80 -0.495 10.946 -19.038 1.00 0.00 C ATOM 1266 C ALA A 80 -1.771 10.769 -18.199 1.00 0.00 C ATOM 1267 O ALA A 80 -2.830 10.518 -18.772 1.00 0.00 O ATOM 1268 CB ALA A 80 0.087 9.561 -19.373 1.00 0.00 C ATOM 0 H ALA A 80 1.315 11.190 -18.031 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.792 11.487 -19.936 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.677 8.953 -19.858 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.939 9.677 -20.043 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.411 9.071 -18.455 1.00 0.00 H new ATOM 1274 N VAL A 81 -1.673 10.849 -16.861 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.732 10.380 -15.947 1.00 0.00 C ATOM 1276 C VAL A 81 -3.136 11.356 -14.834 1.00 0.00 C ATOM 1277 O VAL A 81 -4.070 11.060 -14.094 1.00 0.00 O ATOM 1278 CB VAL A 81 -2.368 9.003 -15.354 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -2.201 7.947 -16.452 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.101 9.015 -14.490 1.00 0.00 C ATOM 0 H VAL A 81 -0.861 11.239 -16.383 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.618 10.301 -16.576 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.208 8.749 -14.708 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.945 6.989 -16.000 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.134 7.848 -17.007 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.405 8.252 -17.132 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.911 8.012 -14.109 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.253 9.341 -15.092 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.237 9.701 -13.654 1.00 0.00 H new ATOM 1290 N GLY A 82 -2.472 12.512 -14.708 1.00 0.00 N ATOM 1291 CA GLY A 82 -2.764 13.512 -13.679 1.00 0.00 C ATOM 1292 C GLY A 82 -1.848 13.351 -12.467 1.00 0.00 C ATOM 1293 O GLY A 82 -2.170 12.613 -11.542 1.00 0.00 O ATOM 0 H GLY A 82 -1.707 12.780 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.644 14.512 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.804 13.420 -13.365 1.00 0.00 H new ATOM 1297 N LYS A 83 -0.710 14.057 -12.469 1.00 0.00 N ATOM 1298 CA LYS A 83 0.455 13.958 -11.564 1.00 0.00 C ATOM 1299 C LYS A 83 0.190 13.920 -10.043 1.00 0.00 C ATOM 1300 O LYS A 83 1.106 13.591 -9.293 1.00 0.00 O ATOM 1301 CB LYS A 83 1.413 15.108 -11.958 1.00 0.00 C ATOM 1302 CG LYS A 83 2.806 15.136 -11.301 1.00 0.00 C ATOM 1303 CD LYS A 83 3.614 13.859 -11.560 1.00 0.00 C ATOM 1304 CE LYS A 83 5.021 13.971 -10.976 1.00 0.00 C ATOM 1305 NZ LYS A 83 5.758 12.708 -11.183 1.00 0.00 N ATOM 0 H LYS A 83 -0.562 14.783 -13.170 1.00 0.00 H new ATOM 0 HA LYS A 83 0.885 12.967 -11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.552 15.073 -13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.916 16.051 -11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.362 15.994 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.692 15.276 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.101 13.004 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.676 13.675 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.555 14.795 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.964 14.198 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.735 12.817 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.291 11.943 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.768 12.474 -12.196 1.00 0.00 H new ATOM 1319 N LEU A 84 -1.035 14.178 -9.575 1.00 0.00 N ATOM 1320 CA LEU A 84 -1.441 14.257 -8.164 1.00 0.00 C ATOM 1321 C LEU A 84 -1.027 13.043 -7.313 1.00 0.00 C ATOM 1322 O LEU A 84 -0.683 13.208 -6.145 1.00 0.00 O ATOM 1323 CB LEU A 84 -2.967 14.465 -8.085 1.00 0.00 C ATOM 1324 CG LEU A 84 -3.505 15.715 -8.811 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -5.031 15.749 -8.708 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -2.948 17.016 -8.225 1.00 0.00 C ATOM 0 H LEU A 84 -1.818 14.348 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.907 15.106 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.458 13.585 -8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.254 14.524 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.183 15.646 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.411 16.633 -9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.447 14.854 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.324 15.785 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.358 17.866 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.228 17.091 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.861 17.018 -8.312 1.00 0.00 H new ATOM 1338 N PHE A 85 -0.989 11.838 -7.896 1.00 0.00 N ATOM 1339 CA PHE A 85 -0.511 10.615 -7.235 1.00 0.00 C ATOM 1340 C PHE A 85 0.964 10.683 -6.801 1.00 0.00 C ATOM 1341 O PHE A 85 1.373 9.933 -5.912 1.00 0.00 O ATOM 1342 CB PHE A 85 -0.666 9.421 -8.184 1.00 0.00 C ATOM 1343 CG PHE A 85 -2.034 9.264 -8.814 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -3.047 8.536 -8.163 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -2.288 9.865 -10.059 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -4.319 8.420 -8.755 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -3.564 9.764 -10.643 1.00 0.00 C ATOM 1348 CZ PHE A 85 -4.579 9.044 -9.988 1.00 0.00 C ATOM 0 H PHE A 85 -1.295 11.682 -8.857 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.119 10.504 -6.337 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.073 9.513 -8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.431 8.509 -7.635 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.849 8.067 -7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.503 10.405 -10.568 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.095 7.852 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.764 10.238 -11.592 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.560 8.970 -10.433 1.00 0.00 H new ATOM 1358 N ARG A 86 1.759 11.536 -7.470 1.00 0.00 N ATOM 1359 CA ARG A 86 3.221 11.752 -7.510 1.00 0.00 C ATOM 1360 C ARG A 86 4.179 10.548 -7.406 1.00 0.00 C ATOM 1361 O ARG A 86 5.394 10.742 -7.430 1.00 0.00 O ATOM 1362 CB ARG A 86 3.643 13.018 -6.730 1.00 0.00 C ATOM 1363 CG ARG A 86 3.365 13.114 -5.220 1.00 0.00 C ATOM 1364 CD ARG A 86 4.119 12.098 -4.353 1.00 0.00 C ATOM 1365 NE ARG A 86 3.374 10.838 -4.299 1.00 0.00 N ATOM 1366 CZ ARG A 86 3.365 9.892 -3.379 1.00 0.00 C ATOM 1367 NH1 ARG A 86 4.204 9.876 -2.370 1.00 0.00 N ATOM 1368 NH2 ARG A 86 2.472 8.943 -3.494 1.00 0.00 N ATOM 0 H ARG A 86 1.314 12.202 -8.102 1.00 0.00 H new ATOM 0 HA ARG A 86 3.389 11.943 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.716 13.144 -6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.156 13.870 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.622 14.118 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.295 12.986 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.114 11.925 -4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.253 12.494 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 86 2.766 10.664 -5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.900 10.615 -2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.160 9.124 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.815 8.953 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.432 8.194 -2.803 1.00 0.00 H new ATOM 1382 N VAL A 87 3.649 9.323 -7.412 1.00 0.00 N ATOM 1383 CA VAL A 87 4.261 8.110 -7.973 1.00 0.00 C ATOM 1384 C VAL A 87 3.291 7.546 -9.017 1.00 0.00 C ATOM 1385 O VAL A 87 2.077 7.686 -8.860 1.00 0.00 O ATOM 1386 CB VAL A 87 4.607 7.062 -6.899 1.00 0.00 C ATOM 1387 CG1 VAL A 87 5.664 7.600 -5.927 1.00 0.00 C ATOM 1388 CG2 VAL A 87 3.392 6.554 -6.110 1.00 0.00 C ATOM 0 H VAL A 87 2.732 9.137 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 87 5.215 8.368 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 87 5.005 6.209 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.890 6.840 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.571 7.849 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.283 8.494 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.718 5.819 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.913 7.390 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.681 6.091 -6.795 1.00 0.00 H new ATOM 1398 N GLY A 88 3.802 6.926 -10.086 1.00 0.00 N ATOM 1399 CA GLY A 88 2.988 6.613 -11.266 1.00 0.00 C ATOM 1400 C GLY A 88 2.732 5.121 -11.434 1.00 0.00 C ATOM 1401 O GLY A 88 3.297 4.503 -12.334 1.00 0.00 O ATOM 0 H GLY A 88 4.776 6.631 -10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.033 7.134 -11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.488 6.993 -12.157 1.00 0.00 H new ATOM 1405 N VAL A 89 1.872 4.539 -10.591 1.00 0.00 N ATOM 1406 CA VAL A 89 1.395 3.162 -10.788 1.00 0.00 C ATOM 1407 C VAL A 89 0.072 3.162 -11.565 1.00 0.00 C ATOM 1408 O VAL A 89 -0.931 3.731 -11.124 1.00 0.00 O ATOM 1409 CB VAL A 89 1.380 2.350 -9.481 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.222 2.655 -8.528 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.367 0.859 -9.820 1.00 0.00 C ATOM 0 H VAL A 89 1.491 4.999 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 89 2.111 2.627 -11.412 1.00 0.00 H new ATOM 0 HB VAL A 89 2.282 2.646 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.307 2.029 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.257 3.705 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.724 2.449 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.356 0.276 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.478 0.627 -10.406 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.257 0.609 -10.397 1.00 0.00 H new ATOM 1421 N VAL A 90 0.103 2.567 -12.760 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.982 2.574 -13.754 1.00 0.00 C ATOM 1423 C VAL A 90 -1.135 1.162 -14.311 1.00 0.00 C ATOM 1424 O VAL A 90 -0.214 0.340 -14.253 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.687 3.586 -14.895 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.822 3.728 -15.929 1.00 0.00 C ATOM 1427 CG2 VAL A 90 -0.339 4.972 -14.336 1.00 0.00 C ATOM 0 H VAL A 90 0.919 2.044 -13.078 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.911 2.887 -13.278 1.00 0.00 H new ATOM 0 HB VAL A 90 0.170 3.164 -15.420 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.533 4.454 -16.689 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.008 2.763 -16.400 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.729 4.068 -15.429 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.138 5.657 -15.160 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.176 5.348 -13.748 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.545 4.897 -13.702 1.00 0.00 H new ATOM 1437 N SER A 91 -2.289 0.821 -14.876 1.00 0.00 N ATOM 1438 CA SER A 91 -2.413 -0.394 -15.684 1.00 0.00 C ATOM 1439 C SER A 91 -3.419 -0.190 -16.809 1.00 0.00 C ATOM 1440 O SER A 91 -4.340 0.613 -16.665 1.00 0.00 O ATOM 1441 CB SER A 91 -2.776 -1.581 -14.792 1.00 0.00 C ATOM 1442 OG SER A 91 -1.893 -1.631 -13.682 1.00 0.00 O ATOM 0 H SER A 91 -3.149 1.363 -14.792 1.00 0.00 H new ATOM 0 HA SER A 91 -1.454 -0.615 -16.152 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.806 -1.487 -14.446 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.714 -2.509 -15.361 1.00 0.00 H new ATOM 0 HG SER A 91 -1.036 -1.224 -13.927 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.229 -0.909 -17.921 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.976 -0.763 -19.174 1.00 0.00 C ATOM 1450 C ILE A 92 -4.618 -2.108 -19.551 1.00 0.00 C ATOM 1451 O ILE A 92 -3.983 -3.174 -19.484 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.088 -0.202 -20.312 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.203 1.008 -19.920 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -3.959 0.179 -21.526 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.953 2.289 -19.551 1.00 0.00 C ATOM 0 H ILE A 92 -2.520 -1.640 -17.974 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.770 -0.032 -19.024 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.399 -1.011 -20.556 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.579 0.719 -19.075 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.533 1.228 -20.751 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.324 0.572 -22.320 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.486 -0.704 -21.887 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.683 0.938 -21.230 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.236 3.069 -19.294 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.556 2.615 -20.399 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.602 2.097 -18.697 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.903 -2.006 -19.915 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.872 -3.076 -20.125 1.00 0.00 C ATOM 1469 C LEU A 93 -7.285 -3.079 -21.615 1.00 0.00 C ATOM 1470 O LEU A 93 -6.465 -3.417 -22.468 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.060 -2.888 -19.149 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.805 -2.856 -17.625 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.189 -1.556 -17.093 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.157 -2.978 -16.911 1.00 0.00 C ATOM 0 H LEU A 93 -6.322 -1.091 -20.083 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.447 -4.056 -19.907 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.555 -1.954 -19.415 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.770 -3.692 -19.343 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.104 -3.669 -17.436 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.050 -1.634 -16.015 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.225 -1.388 -17.572 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.854 -0.721 -17.313 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.002 -2.958 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.798 -2.146 -17.201 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.633 -3.918 -17.191 1.00 0.00 H new ATOM 1486 N GLU A 94 -8.501 -2.634 -21.968 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.940 -2.500 -23.361 1.00 0.00 C ATOM 1488 C GLU A 94 -8.317 -1.251 -24.010 1.00 0.00 C ATOM 1489 O GLU A 94 -8.943 -0.192 -24.118 1.00 0.00 O ATOM 1490 CB GLU A 94 -10.476 -2.443 -23.488 1.00 0.00 C ATOM 1491 CG GLU A 94 -11.222 -3.649 -22.905 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.687 -3.380 -21.473 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.828 -3.218 -20.572 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -12.912 -3.361 -21.220 1.00 0.00 O ATOM 0 H GLU A 94 -9.210 -2.356 -21.289 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.596 -3.391 -23.886 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.833 -1.540 -22.992 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.735 -2.351 -24.543 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.083 -3.883 -23.531 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.571 -4.523 -22.919 1.00 0.00 H new ATOM 1501 N ALA A 95 -7.071 -1.382 -24.474 1.00 0.00 N ATOM 1502 CA ALA A 95 -6.338 -0.393 -25.268 1.00 0.00 C ATOM 1503 C ALA A 95 -6.920 -0.196 -26.689 1.00 0.00 C ATOM 1504 O ALA A 95 -6.199 -0.269 -27.684 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.873 -0.807 -25.318 1.00 0.00 C ATOM 0 H ALA A 95 -6.520 -2.222 -24.297 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.439 0.578 -24.784 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.310 -0.082 -25.906 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.471 -0.844 -24.306 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.789 -1.791 -25.779 1.00 0.00 H new ATOM 1511 N GLY A 96 -8.228 0.061 -26.802 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.958 0.245 -28.063 1.00 0.00 C ATOM 1513 C GLY A 96 -8.657 1.572 -28.769 1.00 0.00 C ATOM 1514 O GLY A 96 -9.586 2.274 -29.157 1.00 0.00 O ATOM 0 H GLY A 96 -8.832 0.150 -25.985 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.713 -0.577 -28.736 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.028 0.186 -27.864 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.373 1.919 -28.901 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.883 3.187 -29.436 1.00 0.00 C ATOM 1520 C ASP A 97 -5.584 2.960 -30.237 1.00 0.00 C ATOM 1521 O ASP A 97 -5.644 2.765 -31.450 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.743 4.178 -28.264 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.715 5.631 -28.726 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.912 5.965 -29.626 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.510 6.444 -28.183 1.00 0.00 O ATOM 0 H ASP A 97 -6.616 1.294 -28.625 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.583 3.623 -30.148 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.573 4.036 -27.572 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.828 3.958 -27.714 1.00 0.00 H new ATOM 1530 N SER A 98 -4.422 2.913 -29.568 1.00 0.00 N ATOM 1531 CA SER A 98 -3.164 2.371 -30.094 1.00 0.00 C ATOM 1532 C SER A 98 -2.794 1.036 -29.432 1.00 0.00 C ATOM 1533 O SER A 98 -3.084 0.754 -28.272 1.00 0.00 O ATOM 1534 CB SER A 98 -2.043 3.432 -30.040 1.00 0.00 C ATOM 1535 OG SER A 98 -0.701 2.939 -30.012 1.00 0.00 O ATOM 0 H SER A 98 -4.331 3.263 -28.614 1.00 0.00 H new ATOM 0 HA SER A 98 -3.304 2.132 -31.148 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.149 4.085 -30.906 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.199 4.049 -29.155 1.00 0.00 H new ATOM 0 HG SER A 98 -0.503 2.482 -30.856 1.00 0.00 H new ATOM 1541 N ASP A 99 -2.013 0.283 -30.195 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.354 -1.009 -30.042 1.00 0.00 C ATOM 1543 C ASP A 99 -0.474 -1.219 -28.791 1.00 0.00 C ATOM 1544 O ASP A 99 0.093 -2.301 -28.648 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.434 -1.080 -31.282 1.00 0.00 C ATOM 1546 CG ASP A 99 0.519 0.132 -31.318 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.054 1.265 -31.612 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.692 0.007 -30.894 1.00 0.00 O ATOM 0 H ASP A 99 -1.785 0.644 -31.121 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.126 -1.771 -29.937 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.144 -2.004 -31.261 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.038 -1.102 -32.189 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.319 -0.225 -27.903 1.00 0.00 N ATOM 1554 CA ILE A 100 0.822 -0.121 -26.975 1.00 0.00 C ATOM 1555 C ILE A 100 1.185 -1.433 -26.269 1.00 0.00 C ATOM 1556 O ILE A 100 2.341 -1.852 -26.295 1.00 0.00 O ATOM 1557 CB ILE A 100 0.639 1.056 -25.984 1.00 0.00 C ATOM 1558 CG1 ILE A 100 2.000 1.393 -25.339 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.427 0.783 -24.902 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.977 2.626 -24.431 1.00 0.00 C ATOM 0 H ILE A 100 -0.989 0.538 -27.807 1.00 0.00 H new ATOM 0 HA ILE A 100 1.689 0.099 -27.598 1.00 0.00 H new ATOM 0 HB ILE A 100 0.272 1.909 -26.554 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.337 0.534 -24.758 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.734 1.551 -26.129 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.505 1.647 -24.242 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.391 0.602 -25.378 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.140 -0.093 -24.321 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.972 2.793 -24.019 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.673 3.498 -25.010 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.269 2.466 -23.618 1.00 0.00 H new ATOM 1572 N LEU A 101 0.200 -2.117 -25.691 1.00 0.00 N ATOM 1573 CA LEU A 101 0.394 -3.311 -24.876 1.00 0.00 C ATOM 1574 C LEU A 101 0.474 -4.638 -25.648 1.00 0.00 C ATOM 1575 O LEU A 101 0.714 -5.678 -25.029 1.00 0.00 O ATOM 1576 CB LEU A 101 -0.581 -3.284 -23.695 1.00 0.00 C ATOM 1577 CG LEU A 101 -2.052 -3.611 -23.956 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -2.902 -2.977 -22.857 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -2.611 -3.205 -25.297 1.00 0.00 C ATOM 0 H LEU A 101 -0.780 -1.848 -25.780 1.00 0.00 H new ATOM 0 HA LEU A 101 1.404 -3.273 -24.468 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.213 -3.985 -22.946 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.536 -2.290 -23.251 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.094 -4.700 -23.958 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.953 -3.204 -23.034 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.602 -3.377 -21.889 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.758 -1.897 -22.863 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.661 -3.493 -25.356 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.524 -2.125 -25.416 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.053 -3.703 -26.090 1.00 0.00 H new ATOM 1591 N THR A 102 0.344 -4.594 -26.982 1.00 0.00 N ATOM 1592 CA THR A 102 0.833 -5.624 -27.913 1.00 0.00 C ATOM 1593 C THR A 102 2.077 -5.183 -28.707 1.00 0.00 C ATOM 1594 O THR A 102 2.584 -5.979 -29.497 1.00 0.00 O ATOM 1595 CB THR A 102 -0.285 -6.152 -28.828 1.00 0.00 C ATOM 1596 OG1 THR A 102 0.227 -7.232 -29.571 1.00 0.00 O ATOM 1597 CG2 THR A 102 -0.849 -5.125 -29.811 1.00 0.00 C ATOM 0 H THR A 102 -0.118 -3.819 -27.458 1.00 0.00 H new ATOM 0 HA THR A 102 1.159 -6.459 -27.293 1.00 0.00 H new ATOM 0 HB THR A 102 -1.108 -6.434 -28.171 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.193 -7.118 -29.691 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.631 -5.588 -30.413 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.267 -4.284 -29.258 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.051 -4.770 -30.464 1.00 0.00 H new ATOM 1605 N THR A 103 2.588 -3.964 -28.489 1.00 0.00 N ATOM 1606 CA THR A 103 3.881 -3.479 -29.005 1.00 0.00 C ATOM 1607 C THR A 103 4.983 -3.648 -27.950 1.00 0.00 C ATOM 1608 O THR A 103 6.062 -4.143 -28.263 1.00 0.00 O ATOM 1609 CB THR A 103 3.737 -2.028 -29.492 1.00 0.00 C ATOM 1610 OG1 THR A 103 2.953 -2.047 -30.659 1.00 0.00 O ATOM 1611 CG2 THR A 103 5.058 -1.350 -29.857 1.00 0.00 C ATOM 0 H THR A 103 2.099 -3.264 -27.931 1.00 0.00 H new ATOM 0 HA THR A 103 4.182 -4.080 -29.863 1.00 0.00 H new ATOM 0 HB THR A 103 3.299 -1.465 -28.668 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.179 -1.458 -30.542 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.864 -0.330 -30.190 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.710 -1.329 -28.983 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.544 -1.907 -30.658 1.00 0.00 H new ATOM 1619 N LEU A 104 4.693 -3.349 -26.677 1.00 0.00 N ATOM 1620 CA LEU A 104 5.519 -3.662 -25.498 1.00 0.00 C ATOM 1621 C LEU A 104 5.585 -5.166 -25.149 1.00 0.00 C ATOM 1622 O LEU A 104 6.115 -5.508 -24.091 1.00 0.00 O ATOM 1623 CB LEU A 104 4.907 -2.939 -24.282 1.00 0.00 C ATOM 1624 CG LEU A 104 4.925 -1.403 -24.299 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.020 -0.949 -23.153 1.00 0.00 C ATOM 1626 CD2 LEU A 104 6.331 -0.835 -24.089 1.00 0.00 C ATOM 0 H LEU A 104 3.835 -2.858 -26.427 1.00 0.00 H new ATOM 0 HA LEU A 104 6.533 -3.339 -25.736 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.871 -3.264 -24.181 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.435 -3.274 -23.389 1.00 0.00 H new ATOM 0 HG LEU A 104 4.584 -1.044 -25.270 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.996 0.140 -23.118 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.011 -1.330 -23.313 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.407 -1.334 -22.209 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.290 0.254 -24.109 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.717 -1.166 -23.125 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.989 -1.188 -24.883 1.00 0.00 H new ATOM 1638 N ALA A 105 4.983 -6.036 -25.970 1.00 0.00 N ATOM 1639 CA ALA A 105 4.048 -7.094 -25.565 1.00 0.00 C ATOM 1640 C ALA A 105 4.431 -7.959 -24.353 1.00 0.00 C ATOM 1641 O ALA A 105 5.546 -8.526 -24.319 1.00 0.00 O ATOM 1642 CB ALA A 105 3.754 -7.984 -26.779 1.00 0.00 C ATOM 1643 OXT ALA A 105 3.553 -8.067 -23.467 1.00 0.00 O ATOM 0 H ALA A 105 5.141 -6.021 -26.978 1.00 0.00 H new ATOM 0 HA ALA A 105 3.167 -6.558 -25.211 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.060 -8.774 -26.491 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.310 -7.382 -27.572 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.682 -8.429 -27.137 1.00 0.00 H new TER 1649 ALA A 105