USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 70 LYS NZ :NH3+ -120:sc= 1.55 (180deg=0.24) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.651 X(o=0.9,f=1.1) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.843 (180deg=0.791) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -47:sc= 0.449 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 160:sc= -0.975 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 137:sc= 1.24 USER MOD Single : A 65 SER OG : rot 33:sc= -0.678 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -54:sc= 0.134 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc=-0.00353 F(o=-1.7!,f=-0.0035) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= -0.0334 (180deg=-0.329) USER MOD Single : A 105 GLN : amide:sc= 0.239 K(o=0.24,f=-4.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 155:sc= 0.0056 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 171:sc=-0.00532 (180deg=-0.0998) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0825 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot -37:sc= 0.386 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 39 16.171 -0.355 11.816 1.00 0.00 N ATOM 2 CA LYS A 39 16.937 -0.105 13.059 1.00 0.00 C ATOM 3 C LYS A 39 18.412 -0.450 12.876 1.00 0.00 C ATOM 4 O LYS A 39 19.291 0.271 13.345 1.00 0.00 O ATOM 5 CB LYS A 39 16.320 -0.921 14.205 1.00 0.00 C ATOM 6 CG LYS A 39 16.225 -2.415 13.929 1.00 0.00 C ATOM 7 CD LYS A 39 15.669 -3.170 15.125 1.00 0.00 C ATOM 8 CE LYS A 39 15.556 -4.660 14.850 1.00 0.00 C ATOM 9 NZ LYS A 39 14.593 -4.954 13.758 1.00 0.00 N ATOM 0 HA LYS A 39 16.882 0.956 13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.914 -0.767 15.106 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.321 -0.537 14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.587 -2.586 13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.213 -2.803 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.314 -3.008 15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.687 -2.772 15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.537 -5.055 14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.241 -5.173 15.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.634 -5.966 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.631 -4.709 14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.839 -4.393 12.918 1.00 0.00 H new ATOM 25 N GLU A 40 18.683 -1.522 12.143 1.00 0.00 N ATOM 26 CA GLU A 40 20.049 -1.927 11.866 1.00 0.00 C ATOM 27 C GLU A 40 20.097 -2.656 10.536 1.00 0.00 C ATOM 28 O GLU A 40 20.830 -2.278 9.627 1.00 0.00 O ATOM 29 CB GLU A 40 20.569 -2.832 12.986 1.00 0.00 C ATOM 30 CG GLU A 40 22.031 -3.199 12.833 1.00 0.00 C ATOM 31 CD GLU A 40 22.911 -1.974 12.743 1.00 0.00 C ATOM 32 OE1 GLU A 40 22.987 -1.219 13.733 1.00 0.00 O ATOM 33 OE2 GLU A 40 23.510 -1.746 11.675 1.00 0.00 O ATOM 0 H GLU A 40 17.972 -2.126 11.730 1.00 0.00 H new ATOM 0 HA GLU A 40 20.685 -1.043 11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.426 -2.331 13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 40 19.974 -3.745 13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 40 22.343 -3.809 13.681 1.00 0.00 H new ATOM 0 HG3 GLU A 40 22.161 -3.807 11.938 1.00 0.00 H new ATOM 40 N GLU A 41 19.228 -3.640 10.406 1.00 0.00 N ATOM 41 CA GLU A 41 19.063 -4.381 9.174 1.00 0.00 C ATOM 42 C GLU A 41 18.488 -3.477 8.085 1.00 0.00 C ATOM 43 O GLU A 41 17.688 -2.578 8.367 1.00 0.00 O ATOM 44 CB GLU A 41 18.143 -5.594 9.400 1.00 0.00 C ATOM 45 CG GLU A 41 16.688 -5.240 9.707 1.00 0.00 C ATOM 46 CD GLU A 41 16.474 -4.613 11.078 1.00 0.00 C ATOM 47 OE1 GLU A 41 17.401 -4.633 11.910 1.00 0.00 O ATOM 48 OE2 GLU A 41 15.365 -4.105 11.335 1.00 0.00 O ATOM 0 H GLU A 41 18.613 -3.949 11.159 1.00 0.00 H new ATOM 0 HA GLU A 41 20.040 -4.740 8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.170 -6.225 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 18.541 -6.187 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.325 -4.551 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.083 -6.144 9.635 1.00 0.00 H new ATOM 55 N ALA A 42 18.869 -3.733 6.845 1.00 0.00 N ATOM 56 CA ALA A 42 18.366 -2.968 5.712 1.00 0.00 C ATOM 57 C ALA A 42 17.000 -3.489 5.264 1.00 0.00 C ATOM 58 O ALA A 42 16.725 -3.599 4.067 1.00 0.00 O ATOM 59 CB ALA A 42 19.361 -3.013 4.562 1.00 0.00 C ATOM 0 H ALA A 42 19.529 -4.469 6.594 1.00 0.00 H new ATOM 0 HA ALA A 42 18.243 -1.931 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 42 18.972 -2.437 3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.311 -2.587 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.514 -4.047 4.253 1.00 0.00 H new ATOM 65 N SER A 43 16.145 -3.797 6.233 1.00 0.00 N ATOM 66 CA SER A 43 14.808 -4.297 5.954 1.00 0.00 C ATOM 67 C SER A 43 13.983 -4.344 7.240 1.00 0.00 C ATOM 68 O SER A 43 14.127 -3.473 8.101 1.00 0.00 O ATOM 69 CB SER A 43 14.885 -5.688 5.310 1.00 0.00 C ATOM 70 OG SER A 43 15.597 -6.599 6.133 1.00 0.00 O ATOM 0 H SER A 43 16.359 -3.707 7.226 1.00 0.00 H new ATOM 0 HA SER A 43 14.318 -3.620 5.254 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.878 -6.065 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.373 -5.615 4.338 1.00 0.00 H new ATOM 0 HG SER A 43 15.628 -7.477 5.698 1.00 0.00 H new ATOM 76 N SER A 44 13.157 -5.380 7.381 1.00 0.00 N ATOM 77 CA SER A 44 12.335 -5.589 8.572 1.00 0.00 C ATOM 78 C SER A 44 11.430 -4.391 8.840 1.00 0.00 C ATOM 79 O SER A 44 11.054 -4.122 9.980 1.00 0.00 O ATOM 80 CB SER A 44 13.216 -5.891 9.791 1.00 0.00 C ATOM 81 OG SER A 44 12.445 -6.342 10.897 1.00 0.00 O ATOM 0 H SER A 44 13.039 -6.101 6.669 1.00 0.00 H new ATOM 0 HA SER A 44 11.695 -6.452 8.388 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.954 -6.649 9.528 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.767 -4.994 10.073 1.00 0.00 H new ATOM 0 HG SER A 44 11.668 -5.756 11.015 1.00 0.00 H new ATOM 87 N LYS A 45 10.949 -3.784 7.768 1.00 0.00 N ATOM 88 CA LYS A 45 9.913 -2.780 7.883 1.00 0.00 C ATOM 89 C LYS A 45 8.574 -3.430 7.588 1.00 0.00 C ATOM 90 O LYS A 45 8.410 -4.045 6.533 1.00 0.00 O ATOM 91 CB LYS A 45 10.142 -1.622 6.906 1.00 0.00 C ATOM 92 CG LYS A 45 11.451 -0.879 7.107 1.00 0.00 C ATOM 93 CD LYS A 45 11.518 -0.235 8.480 1.00 0.00 C ATOM 94 CE LYS A 45 12.723 0.687 8.611 1.00 0.00 C ATOM 95 NZ LYS A 45 12.673 1.487 9.862 1.00 0.00 N ATOM 0 H LYS A 45 11.259 -3.970 6.814 1.00 0.00 H new ATOM 0 HA LYS A 45 9.932 -2.374 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.112 -2.011 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.319 -0.914 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.285 -1.570 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.558 -0.113 6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.605 0.332 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.569 -1.011 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.638 0.094 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.763 1.357 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.510 2.102 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.813 2.072 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.661 0.848 10.682 1.00 0.00 H new ATOM 109 N SER A 46 7.621 -3.277 8.485 1.00 0.00 N ATOM 110 CA SER A 46 6.295 -3.803 8.241 1.00 0.00 C ATOM 111 C SER A 46 5.612 -2.965 7.179 1.00 0.00 C ATOM 112 O SER A 46 5.474 -1.746 7.320 1.00 0.00 O ATOM 113 CB SER A 46 5.458 -3.819 9.522 1.00 0.00 C ATOM 114 OG SER A 46 4.138 -4.265 9.265 1.00 0.00 O ATOM 0 H SER A 46 7.738 -2.799 9.378 1.00 0.00 H new ATOM 0 HA SER A 46 6.388 -4.832 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.928 -4.470 10.259 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.429 -2.818 9.954 1.00 0.00 H new ATOM 0 HG SER A 46 3.728 -4.571 10.101 1.00 0.00 H new ATOM 120 N TYR A 47 5.166 -3.626 6.127 1.00 0.00 N ATOM 121 CA TYR A 47 4.461 -2.955 5.049 1.00 0.00 C ATOM 122 C TYR A 47 3.155 -2.390 5.579 1.00 0.00 C ATOM 123 O TYR A 47 2.674 -1.363 5.112 1.00 0.00 O ATOM 124 CB TYR A 47 4.207 -3.917 3.885 1.00 0.00 C ATOM 125 CG TYR A 47 5.466 -4.359 3.162 1.00 0.00 C ATOM 126 CD1 TYR A 47 6.544 -4.875 3.867 1.00 0.00 C ATOM 127 CD2 TYR A 47 5.575 -4.260 1.779 1.00 0.00 C ATOM 128 CE1 TYR A 47 7.694 -5.282 3.216 1.00 0.00 C ATOM 129 CE2 TYR A 47 6.719 -4.663 1.121 1.00 0.00 C ATOM 130 CZ TYR A 47 7.773 -5.164 1.833 1.00 0.00 C ATOM 131 OH TYR A 47 8.915 -5.583 1.192 1.00 0.00 O ATOM 0 H TYR A 47 5.280 -4.631 5.995 1.00 0.00 H new ATOM 0 HA TYR A 47 5.076 -2.138 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.689 -4.799 4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.539 -3.437 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.484 -4.960 4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.749 -3.860 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.523 -5.688 3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.782 -4.583 0.046 1.00 0.00 H new ATOM 0 HH TYR A 47 8.821 -5.438 0.227 1.00 0.00 H new ATOM 141 N ARG A 48 2.654 -3.020 6.635 1.00 0.00 N ATOM 142 CA ARG A 48 1.460 -2.570 7.330 1.00 0.00 C ATOM 143 C ARG A 48 1.584 -1.103 7.761 1.00 0.00 C ATOM 144 O ARG A 48 0.658 -0.311 7.587 1.00 0.00 O ATOM 145 CB ARG A 48 1.229 -3.459 8.555 1.00 0.00 C ATOM 146 CG ARG A 48 -0.030 -3.120 9.324 1.00 0.00 C ATOM 147 CD ARG A 48 -0.291 -4.115 10.439 1.00 0.00 C ATOM 148 NE ARG A 48 -1.655 -4.003 10.947 1.00 0.00 N ATOM 149 CZ ARG A 48 -2.121 -4.663 12.005 1.00 0.00 C ATOM 150 NH1 ARG A 48 -1.329 -5.479 12.694 1.00 0.00 N ATOM 151 NH2 ARG A 48 -3.384 -4.506 12.375 1.00 0.00 N ATOM 0 H ARG A 48 3.069 -3.862 7.033 1.00 0.00 H new ATOM 0 HA ARG A 48 0.612 -2.644 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.179 -4.499 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.086 -3.373 9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.059 -2.118 9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.880 -3.106 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.120 -5.127 10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.416 -3.947 11.251 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.294 -3.376 10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.356 -5.603 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.694 -5.981 13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.995 -3.881 11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.745 -5.010 13.185 1.00 0.00 H new ATOM 165 N GLU A 49 2.745 -0.745 8.289 1.00 0.00 N ATOM 166 CA GLU A 49 3.002 0.624 8.731 1.00 0.00 C ATOM 167 C GLU A 49 3.180 1.539 7.533 1.00 0.00 C ATOM 168 O GLU A 49 2.676 2.659 7.504 1.00 0.00 O ATOM 169 CB GLU A 49 4.270 0.673 9.579 1.00 0.00 C ATOM 170 CG GLU A 49 4.384 -0.468 10.566 1.00 0.00 C ATOM 171 CD GLU A 49 3.423 -0.345 11.732 1.00 0.00 C ATOM 172 OE1 GLU A 49 2.197 -0.373 11.501 1.00 0.00 O ATOM 173 OE2 GLU A 49 3.885 -0.225 12.884 1.00 0.00 O ATOM 0 H GLU A 49 3.529 -1.384 8.424 1.00 0.00 H new ATOM 0 HA GLU A 49 2.149 0.957 9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.138 0.660 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.297 1.617 10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.198 -1.409 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.404 -0.510 10.947 1.00 0.00 H new ATOM 180 N LEU A 50 3.975 1.064 6.589 1.00 0.00 N ATOM 181 CA LEU A 50 4.343 1.832 5.406 1.00 0.00 C ATOM 182 C LEU A 50 3.120 2.191 4.573 1.00 0.00 C ATOM 183 O LEU A 50 2.932 3.347 4.187 1.00 0.00 O ATOM 184 CB LEU A 50 5.318 1.018 4.554 1.00 0.00 C ATOM 185 CG LEU A 50 6.797 1.019 4.988 1.00 0.00 C ATOM 186 CD1 LEU A 50 6.956 1.075 6.498 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.476 -0.225 4.461 1.00 0.00 C ATOM 0 H LEU A 50 4.386 0.131 6.619 1.00 0.00 H new ATOM 0 HA LEU A 50 4.814 2.758 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.971 -0.015 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.265 1.390 3.531 1.00 0.00 H new ATOM 0 HG LEU A 50 7.259 1.915 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.016 1.074 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.493 1.985 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.474 0.207 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.522 -0.226 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.980 -1.108 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.416 -0.239 3.373 1.00 0.00 H new ATOM 199 N ILE A 51 2.299 1.190 4.289 1.00 0.00 N ATOM 200 CA ILE A 51 1.107 1.384 3.483 1.00 0.00 C ATOM 201 C ILE A 51 0.145 2.331 4.169 1.00 0.00 C ATOM 202 O ILE A 51 -0.285 3.297 3.568 1.00 0.00 O ATOM 203 CB ILE A 51 0.391 0.052 3.193 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.327 -0.901 2.453 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.875 0.291 2.379 1.00 0.00 C ATOM 206 CD1 ILE A 51 0.717 -2.254 2.189 1.00 0.00 C ATOM 0 H ILE A 51 2.440 0.231 4.608 1.00 0.00 H new ATOM 0 HA ILE A 51 1.430 1.815 2.535 1.00 0.00 H new ATOM 0 HB ILE A 51 0.108 -0.403 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.617 -0.450 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.239 -1.029 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.367 -0.662 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.549 0.940 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.615 0.766 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.436 -2.880 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.452 -2.725 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.179 -2.137 1.579 1.00 0.00 H new ATOM 218 N ILE A 52 -0.173 2.067 5.428 1.00 0.00 N ATOM 219 CA ILE A 52 -1.108 2.913 6.160 1.00 0.00 C ATOM 220 C ILE A 52 -0.616 4.351 6.260 1.00 0.00 C ATOM 221 O ILE A 52 -1.385 5.286 6.024 1.00 0.00 O ATOM 222 CB ILE A 52 -1.402 2.362 7.566 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.311 1.138 7.448 1.00 0.00 C ATOM 224 CG2 ILE A 52 -2.041 3.443 8.426 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.622 0.460 8.760 1.00 0.00 C ATOM 0 H ILE A 52 0.198 1.281 5.961 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.035 2.906 5.587 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.472 2.059 8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.247 1.441 6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.840 0.415 6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.246 3.044 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.362 4.291 8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.974 3.769 7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.272 -0.397 8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.695 0.122 9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.124 1.164 9.423 1.00 0.00 H new ATOM 237 N GLU A 53 0.670 4.517 6.553 1.00 0.00 N ATOM 238 CA GLU A 53 1.282 5.840 6.639 1.00 0.00 C ATOM 239 C GLU A 53 0.964 6.656 5.394 1.00 0.00 C ATOM 240 O GLU A 53 0.548 7.813 5.482 1.00 0.00 O ATOM 241 CB GLU A 53 2.796 5.698 6.806 1.00 0.00 C ATOM 242 CG GLU A 53 3.554 7.019 6.795 1.00 0.00 C ATOM 243 CD GLU A 53 3.240 7.900 7.988 1.00 0.00 C ATOM 244 OE1 GLU A 53 2.511 7.449 8.899 1.00 0.00 O ATOM 245 OE2 GLU A 53 3.736 9.046 8.026 1.00 0.00 O ATOM 0 H GLU A 53 1.313 3.747 6.736 1.00 0.00 H new ATOM 0 HA GLU A 53 0.874 6.362 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.000 5.183 7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.180 5.065 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.625 6.815 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.314 7.560 5.880 1.00 0.00 H new ATOM 252 N GLY A 54 1.076 6.014 4.241 1.00 0.00 N ATOM 253 CA GLY A 54 0.725 6.664 3.005 1.00 0.00 C ATOM 254 C GLY A 54 -0.753 6.655 2.750 1.00 0.00 C ATOM 255 O GLY A 54 -1.326 7.682 2.429 1.00 0.00 O ATOM 0 H GLY A 54 1.405 5.053 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.080 7.694 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.236 6.168 2.180 1.00 0.00 H new ATOM 259 N LEU A 55 -1.326 5.465 2.750 1.00 0.00 N ATOM 260 CA LEU A 55 -2.709 5.243 2.352 1.00 0.00 C ATOM 261 C LEU A 55 -3.670 6.179 3.081 1.00 0.00 C ATOM 262 O LEU A 55 -4.692 6.591 2.528 1.00 0.00 O ATOM 263 CB LEU A 55 -3.068 3.783 2.611 1.00 0.00 C ATOM 264 CG LEU A 55 -4.401 3.311 2.044 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.470 3.581 0.554 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.583 1.832 2.323 1.00 0.00 C ATOM 0 H LEU A 55 -0.840 4.613 3.030 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.807 5.464 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.278 3.157 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.075 3.617 3.688 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.206 3.864 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.429 3.237 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.368 4.651 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.663 3.049 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.538 1.500 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.774 1.271 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.568 1.660 3.399 1.00 0.00 H new ATOM 278 N THR A 56 -3.318 6.542 4.302 1.00 0.00 N ATOM 279 CA THR A 56 -4.115 7.468 5.082 1.00 0.00 C ATOM 280 C THR A 56 -3.910 8.908 4.575 1.00 0.00 C ATOM 281 O THR A 56 -4.808 9.743 4.659 1.00 0.00 O ATOM 282 CB THR A 56 -3.767 7.356 6.592 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.863 7.822 7.394 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.511 8.143 6.947 1.00 0.00 C ATOM 0 H THR A 56 -2.479 6.206 4.776 1.00 0.00 H new ATOM 0 HA THR A 56 -5.167 7.208 4.961 1.00 0.00 H new ATOM 0 HB THR A 56 -3.579 6.303 6.800 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.630 7.744 8.343 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.304 8.037 8.012 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.667 7.759 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.662 9.196 6.710 1.00 0.00 H new ATOM 292 N ALA A 57 -2.711 9.181 4.064 1.00 0.00 N ATOM 293 CA ALA A 57 -2.346 10.511 3.589 1.00 0.00 C ATOM 294 C ALA A 57 -2.709 10.742 2.122 1.00 0.00 C ATOM 295 O ALA A 57 -3.269 11.783 1.778 1.00 0.00 O ATOM 296 CB ALA A 57 -0.858 10.746 3.795 1.00 0.00 C ATOM 0 H ALA A 57 -1.969 8.488 3.968 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.924 11.225 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.594 11.741 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.621 10.666 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.291 9.999 3.239 1.00 0.00 H new ATOM 302 N LEU A 58 -2.303 9.827 1.235 1.00 0.00 N ATOM 303 CA LEU A 58 -2.485 10.034 -0.194 1.00 0.00 C ATOM 304 C LEU A 58 -3.833 9.494 -0.657 1.00 0.00 C ATOM 305 O LEU A 58 -4.036 9.218 -1.839 1.00 0.00 O ATOM 306 CB LEU A 58 -1.336 9.394 -0.999 1.00 0.00 C ATOM 307 CG LEU A 58 -1.544 7.939 -1.429 1.00 0.00 C ATOM 308 CD1 LEU A 58 -0.773 7.649 -2.700 1.00 0.00 C ATOM 309 CD2 LEU A 58 -1.129 6.976 -0.356 1.00 0.00 C ATOM 0 H LEU A 58 -1.852 8.947 1.484 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.468 11.108 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.167 9.995 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.426 9.448 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.610 7.804 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.931 6.611 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.122 8.307 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.290 7.820 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.292 5.955 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.072 7.118 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.720 7.155 0.542 1.00 0.00 H new ATOM 321 N LYS A 59 -4.757 9.355 0.281 1.00 0.00 N ATOM 322 CA LYS A 59 -6.082 8.838 -0.025 1.00 0.00 C ATOM 323 C LYS A 59 -6.793 9.724 -1.055 1.00 0.00 C ATOM 324 O LYS A 59 -7.558 9.231 -1.884 1.00 0.00 O ATOM 325 CB LYS A 59 -6.920 8.706 1.259 1.00 0.00 C ATOM 326 CG LYS A 59 -7.642 9.973 1.698 1.00 0.00 C ATOM 327 CD LYS A 59 -6.682 11.019 2.240 1.00 0.00 C ATOM 328 CE LYS A 59 -7.425 12.245 2.742 1.00 0.00 C ATOM 329 NZ LYS A 59 -6.497 13.313 3.191 1.00 0.00 N ATOM 0 H LYS A 59 -4.613 9.593 1.262 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.968 7.846 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.659 7.919 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.266 8.381 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.191 10.388 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.377 9.724 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.094 10.590 3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.981 11.311 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.065 12.631 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.077 11.961 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.045 14.131 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.903 12.954 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.892 13.603 2.397 1.00 0.00 H new ATOM 343 N GLU A 60 -6.504 11.027 -1.015 1.00 0.00 N ATOM 344 CA GLU A 60 -7.096 11.990 -1.942 1.00 0.00 C ATOM 345 C GLU A 60 -8.623 11.934 -1.875 1.00 0.00 C ATOM 346 O GLU A 60 -9.223 12.333 -0.874 1.00 0.00 O ATOM 347 CB GLU A 60 -6.607 11.743 -3.376 1.00 0.00 C ATOM 348 CG GLU A 60 -5.103 11.895 -3.543 1.00 0.00 C ATOM 349 CD GLU A 60 -4.650 11.693 -4.975 1.00 0.00 C ATOM 350 OE1 GLU A 60 -5.511 11.476 -5.858 1.00 0.00 O ATOM 351 OE2 GLU A 60 -3.430 11.752 -5.231 1.00 0.00 O ATOM 0 H GLU A 60 -5.857 11.440 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.776 12.988 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.898 10.738 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.110 12.439 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.803 12.888 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.596 11.175 -2.901 1.00 0.00 H new ATOM 358 N ARG A 61 -9.236 11.414 -2.932 1.00 0.00 N ATOM 359 CA ARG A 61 -10.686 11.283 -3.003 1.00 0.00 C ATOM 360 C ARG A 61 -11.202 10.288 -1.965 1.00 0.00 C ATOM 361 O ARG A 61 -12.267 10.485 -1.384 1.00 0.00 O ATOM 362 CB ARG A 61 -11.111 10.843 -4.408 1.00 0.00 C ATOM 363 CG ARG A 61 -10.544 9.492 -4.820 1.00 0.00 C ATOM 364 CD ARG A 61 -10.929 9.115 -6.240 1.00 0.00 C ATOM 365 NE ARG A 61 -12.369 8.905 -6.403 1.00 0.00 N ATOM 366 CZ ARG A 61 -12.920 8.414 -7.514 1.00 0.00 C ATOM 367 NH1 ARG A 61 -12.143 8.009 -8.513 1.00 0.00 N ATOM 368 NH2 ARG A 61 -14.238 8.301 -7.622 1.00 0.00 N ATOM 0 H ARG A 61 -8.746 11.073 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.122 12.258 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.199 10.800 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.792 11.597 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.458 9.515 -4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.902 8.725 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.602 9.901 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.400 8.206 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.983 9.147 -5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.129 8.074 -8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.561 7.633 -9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.840 8.591 -6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.649 7.924 -8.476 1.00 0.00 H new ATOM 382 N LYS A 62 -10.417 9.245 -1.705 1.00 0.00 N ATOM 383 CA LYS A 62 -10.779 8.220 -0.733 1.00 0.00 C ATOM 384 C LYS A 62 -9.635 7.227 -0.570 1.00 0.00 C ATOM 385 O LYS A 62 -9.178 6.982 0.535 1.00 0.00 O ATOM 386 CB LYS A 62 -12.070 7.487 -1.149 1.00 0.00 C ATOM 387 CG LYS A 62 -12.024 6.864 -2.540 1.00 0.00 C ATOM 388 CD LYS A 62 -13.360 6.246 -2.926 1.00 0.00 C ATOM 389 CE LYS A 62 -13.733 5.079 -2.021 1.00 0.00 C ATOM 390 NZ LYS A 62 -15.069 4.519 -2.362 1.00 0.00 N ATOM 0 H LYS A 62 -9.518 9.088 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.965 8.709 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.278 6.703 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.902 8.190 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.751 7.625 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.247 6.100 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.139 7.007 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.315 5.903 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.979 4.297 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.732 5.410 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.287 3.727 -1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.793 5.258 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.063 4.180 -3.345 1.00 0.00 H new ATOM 404 N GLY A 63 -9.107 6.752 -1.687 1.00 0.00 N ATOM 405 CA GLY A 63 -7.968 5.859 -1.661 1.00 0.00 C ATOM 406 C GLY A 63 -7.127 5.995 -2.913 1.00 0.00 C ATOM 407 O GLY A 63 -7.504 6.722 -3.834 1.00 0.00 O ATOM 0 H GLY A 63 -9.452 6.972 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.356 6.074 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.313 4.830 -1.564 1.00 0.00 H new ATOM 411 N SER A 64 -6.014 5.281 -2.965 1.00 0.00 N ATOM 412 CA SER A 64 -5.120 5.340 -4.117 1.00 0.00 C ATOM 413 C SER A 64 -4.545 3.967 -4.449 1.00 0.00 C ATOM 414 O SER A 64 -4.501 3.073 -3.603 1.00 0.00 O ATOM 415 CB SER A 64 -3.995 6.348 -3.879 1.00 0.00 C ATOM 416 OG SER A 64 -4.479 7.682 -3.937 1.00 0.00 O ATOM 0 H SER A 64 -5.705 4.652 -2.223 1.00 0.00 H new ATOM 0 HA SER A 64 -5.708 5.671 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.540 6.166 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.214 6.209 -4.627 1.00 0.00 H new ATOM 0 HG SER A 64 -4.084 8.205 -3.209 1.00 0.00 H new ATOM 422 N SER A 65 -4.217 3.789 -5.718 1.00 0.00 N ATOM 423 CA SER A 65 -3.758 2.515 -6.253 1.00 0.00 C ATOM 424 C SER A 65 -2.400 2.114 -5.674 1.00 0.00 C ATOM 425 O SER A 65 -1.650 2.960 -5.175 1.00 0.00 O ATOM 426 CB SER A 65 -3.679 2.620 -7.779 1.00 0.00 C ATOM 427 OG SER A 65 -3.596 1.346 -8.395 1.00 0.00 O ATOM 0 H SER A 65 -4.262 4.533 -6.415 1.00 0.00 H new ATOM 0 HA SER A 65 -4.469 1.739 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.557 3.147 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.809 3.215 -8.057 1.00 0.00 H new ATOM 0 HG SER A 65 -4.102 0.694 -7.867 1.00 0.00 H new ATOM 433 N ARG A 66 -2.083 0.816 -5.761 1.00 0.00 N ATOM 434 CA ARG A 66 -0.813 0.286 -5.271 1.00 0.00 C ATOM 435 C ARG A 66 0.397 1.076 -5.786 1.00 0.00 C ATOM 436 O ARG A 66 1.271 1.413 -4.998 1.00 0.00 O ATOM 437 CB ARG A 66 -0.643 -1.189 -5.650 1.00 0.00 C ATOM 438 CG ARG A 66 -1.509 -2.156 -4.858 1.00 0.00 C ATOM 439 CD ARG A 66 -2.924 -2.251 -5.406 1.00 0.00 C ATOM 440 NE ARG A 66 -2.945 -2.477 -6.854 1.00 0.00 N ATOM 441 CZ ARG A 66 -2.448 -3.556 -7.467 1.00 0.00 C ATOM 442 NH1 ARG A 66 -1.975 -4.584 -6.770 1.00 0.00 N ATOM 443 NH2 ARG A 66 -2.447 -3.612 -8.791 1.00 0.00 N ATOM 0 H ARG A 66 -2.697 0.112 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.849 0.386 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.869 -1.305 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.403 -1.466 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.050 -3.145 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.547 -1.836 -3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.451 -3.063 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.463 -1.332 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.371 -1.757 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.987 -4.558 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.600 -5.399 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.824 -2.835 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.070 -4.432 -9.266 1.00 0.00 H new ATOM 457 N PRO A 67 0.512 1.335 -7.114 1.00 0.00 N ATOM 458 CA PRO A 67 1.667 2.043 -7.686 1.00 0.00 C ATOM 459 C PRO A 67 1.976 3.355 -6.964 1.00 0.00 C ATOM 460 O PRO A 67 3.141 3.673 -6.711 1.00 0.00 O ATOM 461 CB PRO A 67 1.255 2.315 -9.143 1.00 0.00 C ATOM 462 CG PRO A 67 -0.192 1.963 -9.226 1.00 0.00 C ATOM 463 CD PRO A 67 -0.419 0.922 -8.173 1.00 0.00 C ATOM 0 HA PRO A 67 2.578 1.451 -7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.420 3.359 -9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.844 1.714 -9.835 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.818 2.838 -9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.446 1.581 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.452 0.915 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.199 -0.081 -8.539 1.00 0.00 H new ATOM 471 N ALA A 68 0.931 4.080 -6.578 1.00 0.00 N ATOM 472 CA ALA A 68 1.094 5.324 -5.840 1.00 0.00 C ATOM 473 C ALA A 68 1.673 5.058 -4.452 1.00 0.00 C ATOM 474 O ALA A 68 2.640 5.701 -4.035 1.00 0.00 O ATOM 475 CB ALA A 68 -0.239 6.051 -5.742 1.00 0.00 C ATOM 0 H ALA A 68 -0.039 3.825 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 68 1.797 5.960 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.107 6.980 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.606 6.275 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.961 5.419 -5.224 1.00 0.00 H new ATOM 481 N LEU A 69 1.141 4.040 -3.784 1.00 0.00 N ATOM 482 CA LEU A 69 1.647 3.620 -2.478 1.00 0.00 C ATOM 483 C LEU A 69 3.086 3.120 -2.577 1.00 0.00 C ATOM 484 O LEU A 69 3.917 3.428 -1.723 1.00 0.00 O ATOM 485 CB LEU A 69 0.757 2.525 -1.895 1.00 0.00 C ATOM 486 CG LEU A 69 -0.488 3.016 -1.161 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.460 1.868 -0.937 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.093 3.645 0.167 1.00 0.00 C ATOM 0 H LEU A 69 0.355 3.487 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 69 1.631 4.487 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.445 1.865 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.352 1.925 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.983 3.769 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.342 2.235 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.757 1.450 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.978 1.095 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.987 3.993 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.418 2.905 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.573 4.489 -0.014 1.00 0.00 H new ATOM 500 N LYS A 70 3.374 2.354 -3.624 1.00 0.00 N ATOM 501 CA LYS A 70 4.711 1.811 -3.835 1.00 0.00 C ATOM 502 C LYS A 70 5.733 2.934 -3.969 1.00 0.00 C ATOM 503 O LYS A 70 6.830 2.855 -3.417 1.00 0.00 O ATOM 504 CB LYS A 70 4.756 0.925 -5.087 1.00 0.00 C ATOM 505 CG LYS A 70 3.854 -0.299 -5.026 1.00 0.00 C ATOM 506 CD LYS A 70 4.042 -1.188 -6.240 1.00 0.00 C ATOM 507 CE LYS A 70 3.215 -2.456 -6.135 1.00 0.00 C ATOM 508 NZ LYS A 70 3.529 -3.419 -7.218 1.00 0.00 N ATOM 0 H LYS A 70 2.697 2.095 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 70 4.959 1.202 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.474 1.525 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.783 0.596 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.070 -0.867 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.813 0.018 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.759 -0.641 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.096 -1.447 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.395 -2.927 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.156 -2.201 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.671 -3.606 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.264 -3.019 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.872 -4.309 -6.803 1.00 0.00 H new ATOM 522 N LYS A 71 5.339 4.007 -4.646 1.00 0.00 N ATOM 523 CA LYS A 71 6.201 5.168 -4.800 1.00 0.00 C ATOM 524 C LYS A 71 6.386 5.860 -3.466 1.00 0.00 C ATOM 525 O LYS A 71 7.504 6.170 -3.065 1.00 0.00 O ATOM 526 CB LYS A 71 5.614 6.159 -5.801 1.00 0.00 C ATOM 527 CG LYS A 71 6.489 7.384 -6.003 1.00 0.00 C ATOM 528 CD LYS A 71 5.900 8.355 -7.011 1.00 0.00 C ATOM 529 CE LYS A 71 6.744 9.617 -7.109 1.00 0.00 C ATOM 530 NZ LYS A 71 6.231 10.557 -8.137 1.00 0.00 N ATOM 0 H LYS A 71 4.428 4.095 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 71 7.165 4.821 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.472 5.659 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.629 6.475 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.624 7.893 -5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.477 7.070 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.839 7.877 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.883 8.615 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.762 10.116 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.773 9.346 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.837 11.402 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.237 10.092 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.259 10.837 -7.897 1.00 0.00 H new ATOM 544 N PHE A 72 5.270 6.069 -2.787 1.00 0.00 N ATOM 545 CA PHE A 72 5.262 6.706 -1.477 1.00 0.00 C ATOM 546 C PHE A 72 6.266 6.036 -0.544 1.00 0.00 C ATOM 547 O PHE A 72 7.048 6.708 0.128 1.00 0.00 O ATOM 548 CB PHE A 72 3.861 6.635 -0.859 1.00 0.00 C ATOM 549 CG PHE A 72 3.772 7.286 0.488 1.00 0.00 C ATOM 550 CD1 PHE A 72 3.473 8.632 0.600 1.00 0.00 C ATOM 551 CD2 PHE A 72 4.010 6.556 1.639 1.00 0.00 C ATOM 552 CE1 PHE A 72 3.406 9.239 1.839 1.00 0.00 C ATOM 553 CE2 PHE A 72 3.949 7.155 2.882 1.00 0.00 C ATOM 554 CZ PHE A 72 3.646 8.500 2.983 1.00 0.00 C ATOM 0 H PHE A 72 4.345 5.803 -3.126 1.00 0.00 H new ATOM 0 HA PHE A 72 5.545 7.750 -1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.150 7.113 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.564 5.590 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.290 9.215 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.246 5.505 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.166 10.289 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.138 6.574 3.773 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.597 8.972 3.953 1.00 0.00 H new ATOM 564 N ILE A 73 6.241 4.710 -0.512 1.00 0.00 N ATOM 565 CA ILE A 73 7.142 3.956 0.343 1.00 0.00 C ATOM 566 C ILE A 73 8.587 4.094 -0.126 1.00 0.00 C ATOM 567 O ILE A 73 9.490 4.252 0.685 1.00 0.00 O ATOM 568 CB ILE A 73 6.750 2.467 0.404 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.329 2.324 0.956 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.740 1.690 1.263 1.00 0.00 C ATOM 571 CD1 ILE A 73 4.843 0.893 1.022 1.00 0.00 C ATOM 0 H ILE A 73 5.607 4.137 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 73 7.057 4.374 1.346 1.00 0.00 H new ATOM 0 HB ILE A 73 6.777 2.053 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.292 2.757 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.647 2.902 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.448 0.640 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.739 1.776 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.742 2.097 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.830 0.871 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.847 0.461 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.502 0.314 1.670 1.00 0.00 H new ATOM 583 N LYS A 74 8.800 4.063 -1.434 1.00 0.00 N ATOM 584 CA LYS A 74 10.144 4.194 -1.985 1.00 0.00 C ATOM 585 C LYS A 74 10.755 5.554 -1.662 1.00 0.00 C ATOM 586 O LYS A 74 11.946 5.651 -1.353 1.00 0.00 O ATOM 587 CB LYS A 74 10.140 3.943 -3.494 1.00 0.00 C ATOM 588 CG LYS A 74 9.947 2.479 -3.848 1.00 0.00 C ATOM 589 CD LYS A 74 9.951 2.250 -5.350 1.00 0.00 C ATOM 590 CE LYS A 74 9.768 0.776 -5.686 1.00 0.00 C ATOM 591 NZ LYS A 74 9.754 0.527 -7.153 1.00 0.00 N ATOM 0 H LYS A 74 8.064 3.949 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 74 10.767 3.435 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.345 4.531 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.081 4.293 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.740 1.888 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.004 2.127 -3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.153 2.832 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.890 2.607 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.573 0.199 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.834 0.420 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.627 -0.490 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.970 1.055 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.655 0.841 -7.567 1.00 0.00 H new ATOM 605 N GLU A 75 9.946 6.601 -1.737 1.00 0.00 N ATOM 606 CA GLU A 75 10.421 7.948 -1.462 1.00 0.00 C ATOM 607 C GLU A 75 10.648 8.163 0.037 1.00 0.00 C ATOM 608 O GLU A 75 11.535 8.916 0.435 1.00 0.00 O ATOM 609 CB GLU A 75 9.430 8.996 -1.983 1.00 0.00 C ATOM 610 CG GLU A 75 9.083 8.865 -3.461 1.00 0.00 C ATOM 611 CD GLU A 75 10.299 8.857 -4.367 1.00 0.00 C ATOM 612 OE1 GLU A 75 10.973 7.809 -4.455 1.00 0.00 O ATOM 613 OE2 GLU A 75 10.593 9.895 -4.994 1.00 0.00 O ATOM 0 H GLU A 75 8.959 6.543 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 75 11.372 8.066 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.511 8.928 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.846 9.988 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.519 7.945 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.431 9.690 -3.748 1.00 0.00 H new ATOM 620 N ASN A 76 9.753 7.620 0.852 1.00 0.00 N ATOM 621 CA ASN A 76 9.759 7.906 2.291 1.00 0.00 C ATOM 622 C ASN A 76 10.540 6.873 3.096 1.00 0.00 C ATOM 623 O ASN A 76 11.243 7.224 4.043 1.00 0.00 O ATOM 624 CB ASN A 76 8.322 7.994 2.811 1.00 0.00 C ATOM 625 CG ASN A 76 7.640 9.282 2.400 1.00 0.00 C ATOM 626 OD1 ASN A 76 7.906 10.346 2.962 1.00 0.00 O ATOM 627 ND2 ASN A 76 6.780 9.202 1.398 1.00 0.00 N ATOM 0 H ASN A 76 9.016 6.983 0.549 1.00 0.00 H new ATOM 0 HA ASN A 76 10.265 8.863 2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.749 7.146 2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.326 7.919 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.308 10.042 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.589 8.301 0.961 1.00 0.00 H new ATOM 634 N TYR A 77 10.385 5.602 2.756 1.00 0.00 N ATOM 635 CA TYR A 77 11.044 4.516 3.484 1.00 0.00 C ATOM 636 C TYR A 77 11.968 3.718 2.561 1.00 0.00 C ATOM 637 O TYR A 77 11.646 2.591 2.191 1.00 0.00 O ATOM 638 CB TYR A 77 10.006 3.564 4.097 1.00 0.00 C ATOM 639 CG TYR A 77 9.162 4.160 5.205 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.252 5.170 4.929 1.00 0.00 C ATOM 641 CD2 TYR A 77 9.281 3.728 6.522 1.00 0.00 C ATOM 642 CE1 TYR A 77 7.483 5.734 5.929 1.00 0.00 C ATOM 643 CE2 TYR A 77 8.516 4.288 7.529 1.00 0.00 C ATOM 644 CZ TYR A 77 7.608 5.220 7.257 1.00 0.00 C ATOM 645 OH TYR A 77 6.857 5.857 8.225 1.00 0.00 O ATOM 0 H TYR A 77 9.806 5.291 1.976 1.00 0.00 H new ATOM 0 HA TYR A 77 11.636 4.969 4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.344 3.215 3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.525 2.689 4.488 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.143 5.522 3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 77 9.982 2.942 6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.803 6.545 5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.658 3.964 8.549 1.00 0.00 H new ATOM 0 HH TYR A 77 7.013 5.430 9.093 1.00 0.00 H new ATOM 655 N PRO A 78 13.129 4.284 2.180 1.00 0.00 N ATOM 656 CA PRO A 78 14.076 3.631 1.257 1.00 0.00 C ATOM 657 C PRO A 78 14.548 2.261 1.735 1.00 0.00 C ATOM 658 O PRO A 78 14.953 1.426 0.928 1.00 0.00 O ATOM 659 CB PRO A 78 15.252 4.602 1.203 1.00 0.00 C ATOM 660 CG PRO A 78 14.664 5.920 1.561 1.00 0.00 C ATOM 661 CD PRO A 78 13.602 5.622 2.577 1.00 0.00 C ATOM 0 HA PRO A 78 13.608 3.437 0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.037 4.314 1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.703 4.625 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.421 6.590 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.242 6.412 0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.002 5.624 3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.799 6.359 2.549 1.00 0.00 H new ATOM 669 N ILE A 79 14.478 2.039 3.046 1.00 0.00 N ATOM 670 CA ILE A 79 14.876 0.770 3.650 1.00 0.00 C ATOM 671 C ILE A 79 14.218 -0.393 2.925 1.00 0.00 C ATOM 672 O ILE A 79 14.880 -1.285 2.391 1.00 0.00 O ATOM 673 CB ILE A 79 14.439 0.692 5.131 1.00 0.00 C ATOM 674 CG1 ILE A 79 14.869 1.943 5.912 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.015 -0.555 5.785 1.00 0.00 C ATOM 676 CD1 ILE A 79 13.890 3.096 5.825 1.00 0.00 C ATOM 0 H ILE A 79 14.145 2.731 3.717 1.00 0.00 H new ATOM 0 HA ILE A 79 15.962 0.711 3.576 1.00 0.00 H new ATOM 0 HB ILE A 79 13.350 0.640 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.005 1.675 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.838 2.275 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.700 -0.598 6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.655 -1.440 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.103 -0.522 5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.268 3.939 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.771 3.395 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.925 2.785 6.226 1.00 0.00 H new ATOM 688 N VAL A 80 12.905 -0.328 2.880 1.00 0.00 N ATOM 689 CA VAL A 80 12.091 -1.311 2.213 1.00 0.00 C ATOM 690 C VAL A 80 11.849 -0.884 0.775 1.00 0.00 C ATOM 691 O VAL A 80 11.711 -1.711 -0.124 1.00 0.00 O ATOM 692 CB VAL A 80 10.765 -1.475 2.973 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.581 -1.316 2.066 1.00 0.00 C ATOM 694 CG2 VAL A 80 10.712 -2.808 3.687 1.00 0.00 C ATOM 0 H VAL A 80 12.368 0.423 3.314 1.00 0.00 H new ATOM 0 HA VAL A 80 12.604 -2.273 2.200 1.00 0.00 H new ATOM 0 HB VAL A 80 10.720 -0.681 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.663 -1.439 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.598 -0.323 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.621 -2.070 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.764 -2.899 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.800 -3.614 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.534 -2.872 4.400 1.00 0.00 H new ATOM 704 N GLY A 81 11.780 0.422 0.577 1.00 0.00 N ATOM 705 CA GLY A 81 11.531 0.960 -0.733 1.00 0.00 C ATOM 706 C GLY A 81 12.531 0.465 -1.759 1.00 0.00 C ATOM 707 O GLY A 81 12.162 0.097 -2.873 1.00 0.00 O ATOM 0 H GLY A 81 11.894 1.121 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.524 0.688 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.568 2.048 -0.689 1.00 0.00 H new ATOM 711 N SER A 82 13.789 0.408 -1.355 1.00 0.00 N ATOM 712 CA SER A 82 14.845 -0.093 -2.210 1.00 0.00 C ATOM 713 C SER A 82 15.190 -1.533 -1.826 1.00 0.00 C ATOM 714 O SER A 82 16.339 -1.966 -1.936 1.00 0.00 O ATOM 715 CB SER A 82 16.080 0.810 -2.093 1.00 0.00 C ATOM 716 OG SER A 82 17.000 0.571 -3.148 1.00 0.00 O ATOM 0 H SER A 82 14.103 0.706 -0.431 1.00 0.00 H new ATOM 0 HA SER A 82 14.505 -0.085 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.771 1.855 -2.108 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.570 0.636 -1.135 1.00 0.00 H new ATOM 0 HG SER A 82 17.224 -0.383 -3.177 1.00 0.00 H new ATOM 722 N ALA A 83 14.189 -2.281 -1.384 1.00 0.00 N ATOM 723 CA ALA A 83 14.382 -3.685 -1.043 1.00 0.00 C ATOM 724 C ALA A 83 14.175 -4.554 -2.273 1.00 0.00 C ATOM 725 O ALA A 83 13.374 -4.221 -3.151 1.00 0.00 O ATOM 726 CB ALA A 83 13.446 -4.118 0.079 1.00 0.00 C ATOM 0 H ALA A 83 13.236 -1.941 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 83 15.405 -3.809 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.616 -5.170 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.640 -3.517 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.412 -3.978 -0.235 1.00 0.00 H new ATOM 732 N SER A 84 14.935 -5.632 -2.361 1.00 0.00 N ATOM 733 CA SER A 84 14.846 -6.523 -3.500 1.00 0.00 C ATOM 734 C SER A 84 13.475 -7.192 -3.544 1.00 0.00 C ATOM 735 O SER A 84 13.024 -7.774 -2.555 1.00 0.00 O ATOM 736 CB SER A 84 15.960 -7.568 -3.432 1.00 0.00 C ATOM 737 OG SER A 84 17.230 -6.941 -3.330 1.00 0.00 O ATOM 0 H SER A 84 15.619 -5.909 -1.657 1.00 0.00 H new ATOM 0 HA SER A 84 14.970 -5.944 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.801 -8.221 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.930 -8.197 -4.321 1.00 0.00 H new ATOM 0 HG SER A 84 17.930 -7.625 -3.286 1.00 0.00 H new ATOM 743 N ASN A 85 12.804 -7.047 -4.683 1.00 0.00 N ATOM 744 CA ASN A 85 11.463 -7.591 -4.896 1.00 0.00 C ATOM 745 C ASN A 85 10.433 -6.922 -3.986 1.00 0.00 C ATOM 746 O ASN A 85 9.380 -7.497 -3.708 1.00 0.00 O ATOM 747 CB ASN A 85 11.431 -9.115 -4.684 1.00 0.00 C ATOM 748 CG ASN A 85 12.215 -9.894 -5.731 1.00 0.00 C ATOM 749 OD1 ASN A 85 12.878 -9.190 -6.636 1.00 0.00 O flip ATOM 750 ND2 ASN A 85 12.224 -11.127 -5.722 1.00 0.00 N flip ATOM 0 H ASN A 85 13.176 -6.546 -5.490 1.00 0.00 H new ATOM 0 HA ASN A 85 11.201 -7.378 -5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.833 -9.344 -3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.395 -9.453 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.701 -11.636 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.754 -11.638 -6.427 1.00 0.00 H new ATOM 757 N PHE A 86 10.676 -5.657 -3.643 1.00 0.00 N ATOM 758 CA PHE A 86 9.715 -4.866 -2.876 1.00 0.00 C ATOM 759 C PHE A 86 8.410 -4.735 -3.650 1.00 0.00 C ATOM 760 O PHE A 86 7.318 -4.880 -3.095 1.00 0.00 O ATOM 761 CB PHE A 86 10.284 -3.472 -2.581 1.00 0.00 C ATOM 762 CG PHE A 86 9.241 -2.475 -2.155 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.575 -2.625 -0.948 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.937 -1.384 -2.950 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.632 -1.701 -0.542 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.992 -0.461 -2.549 1.00 0.00 C ATOM 767 CZ PHE A 86 7.289 -0.649 -1.397 1.00 0.00 C ATOM 0 H PHE A 86 11.532 -5.158 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 86 9.523 -5.375 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.038 -3.554 -1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.789 -3.099 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.796 -3.474 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.444 -1.253 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.164 -1.790 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.809 0.416 -3.152 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.472 0.011 -1.146 1.00 0.00 H new ATOM 777 N ASP A 87 8.543 -4.473 -4.943 1.00 0.00 N ATOM 778 CA ASP A 87 7.397 -4.318 -5.836 1.00 0.00 C ATOM 779 C ASP A 87 6.471 -5.533 -5.754 1.00 0.00 C ATOM 780 O ASP A 87 5.249 -5.389 -5.666 1.00 0.00 O ATOM 781 CB ASP A 87 7.879 -4.122 -7.275 1.00 0.00 C ATOM 782 CG ASP A 87 6.743 -3.874 -8.246 1.00 0.00 C ATOM 783 OD1 ASP A 87 6.019 -2.870 -8.082 1.00 0.00 O ATOM 784 OD2 ASP A 87 6.560 -4.688 -9.173 1.00 0.00 O ATOM 0 H ASP A 87 9.446 -4.362 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 87 6.834 -3.439 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.571 -3.281 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.435 -5.005 -7.591 1.00 0.00 H new ATOM 789 N LEU A 88 7.069 -6.720 -5.719 1.00 0.00 N ATOM 790 CA LEU A 88 6.322 -7.967 -5.599 1.00 0.00 C ATOM 791 C LEU A 88 5.749 -8.120 -4.187 1.00 0.00 C ATOM 792 O LEU A 88 4.562 -8.410 -4.017 1.00 0.00 O ATOM 793 CB LEU A 88 7.245 -9.151 -5.956 1.00 0.00 C ATOM 794 CG LEU A 88 6.630 -10.563 -5.914 1.00 0.00 C ATOM 795 CD1 LEU A 88 6.800 -11.191 -4.542 1.00 0.00 C ATOM 796 CD2 LEU A 88 5.159 -10.535 -6.297 1.00 0.00 C ATOM 0 H LEU A 88 8.080 -6.844 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 88 5.482 -7.953 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.636 -8.983 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.096 -9.133 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 88 7.163 -11.172 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.357 -12.187 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.861 -11.265 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.304 -10.572 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.754 -11.546 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.614 -9.898 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.054 -10.141 -7.308 1.00 0.00 H new ATOM 808 N TYR A 89 6.599 -7.921 -3.188 1.00 0.00 N ATOM 809 CA TYR A 89 6.206 -8.073 -1.788 1.00 0.00 C ATOM 810 C TYR A 89 5.020 -7.181 -1.438 1.00 0.00 C ATOM 811 O TYR A 89 4.153 -7.569 -0.654 1.00 0.00 O ATOM 812 CB TYR A 89 7.380 -7.747 -0.867 1.00 0.00 C ATOM 813 CG TYR A 89 8.452 -8.813 -0.812 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.538 -9.793 -1.791 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.386 -8.828 0.214 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.521 -10.760 -1.751 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.373 -9.791 0.265 1.00 0.00 C ATOM 818 CZ TYR A 89 10.437 -10.756 -0.721 1.00 0.00 C ATOM 819 OH TYR A 89 11.421 -11.718 -0.674 1.00 0.00 O ATOM 0 H TYR A 89 7.574 -7.652 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 89 5.907 -9.111 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.833 -6.811 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.999 -7.581 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.822 -9.799 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.340 -8.074 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.573 -11.515 -2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.091 -9.790 1.071 1.00 0.00 H new ATOM 0 HH TYR A 89 11.984 -11.572 0.115 1.00 0.00 H new ATOM 829 N PHE A 90 5.007 -5.981 -2.000 1.00 0.00 N ATOM 830 CA PHE A 90 3.951 -5.017 -1.732 1.00 0.00 C ATOM 831 C PHE A 90 2.581 -5.580 -2.108 1.00 0.00 C ATOM 832 O PHE A 90 1.606 -5.386 -1.386 1.00 0.00 O ATOM 833 CB PHE A 90 4.199 -3.724 -2.505 1.00 0.00 C ATOM 834 CG PHE A 90 3.229 -2.637 -2.157 1.00 0.00 C ATOM 835 CD1 PHE A 90 3.411 -1.870 -1.021 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.137 -2.379 -2.967 1.00 0.00 C ATOM 837 CE1 PHE A 90 2.520 -0.869 -0.701 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.244 -1.380 -2.649 1.00 0.00 C ATOM 839 CZ PHE A 90 1.436 -0.623 -1.515 1.00 0.00 C ATOM 0 H PHE A 90 5.721 -5.651 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 90 3.960 -4.807 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.212 -3.376 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.138 -3.929 -3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.259 -2.057 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.983 -2.968 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.672 -0.276 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.394 -1.191 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.738 0.162 -1.264 1.00 0.00 H new ATOM 849 N ASN A 91 2.514 -6.271 -3.239 1.00 0.00 N ATOM 850 CA ASN A 91 1.254 -6.849 -3.707 1.00 0.00 C ATOM 851 C ASN A 91 0.721 -7.856 -2.697 1.00 0.00 C ATOM 852 O ASN A 91 -0.446 -7.800 -2.306 1.00 0.00 O ATOM 853 CB ASN A 91 1.437 -7.527 -5.067 1.00 0.00 C ATOM 854 CG ASN A 91 1.911 -6.567 -6.137 1.00 0.00 C ATOM 855 OD1 ASN A 91 1.248 -5.576 -6.445 1.00 0.00 O ATOM 856 ND2 ASN A 91 3.067 -6.852 -6.710 1.00 0.00 N ATOM 0 H ASN A 91 3.312 -6.446 -3.849 1.00 0.00 H new ATOM 0 HA ASN A 91 0.533 -6.038 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.156 -8.340 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.492 -7.973 -5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.441 -6.241 -7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.586 -7.683 -6.426 1.00 0.00 H new ATOM 863 N ASN A 92 1.613 -8.713 -2.215 1.00 0.00 N ATOM 864 CA ASN A 92 1.270 -9.691 -1.188 1.00 0.00 C ATOM 865 C ASN A 92 0.878 -8.994 0.107 1.00 0.00 C ATOM 866 O ASN A 92 -0.039 -9.427 0.804 1.00 0.00 O ATOM 867 CB ASN A 92 2.440 -10.646 -0.939 1.00 0.00 C ATOM 868 CG ASN A 92 2.687 -11.587 -2.103 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.800 -12.342 -2.504 1.00 0.00 O ATOM 870 ND2 ASN A 92 3.888 -11.553 -2.656 1.00 0.00 N ATOM 0 H ASN A 92 2.585 -8.751 -2.521 1.00 0.00 H new ATOM 0 HA ASN A 92 0.418 -10.270 -1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.343 -10.066 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.241 -11.231 -0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.105 -12.166 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.597 -10.914 -2.296 1.00 0.00 H new ATOM 877 N ALA A 93 1.551 -7.884 0.395 1.00 0.00 N ATOM 878 CA ALA A 93 1.264 -7.090 1.582 1.00 0.00 C ATOM 879 C ALA A 93 -0.155 -6.534 1.536 1.00 0.00 C ATOM 880 O ALA A 93 -0.891 -6.606 2.520 1.00 0.00 O ATOM 881 CB ALA A 93 2.275 -5.961 1.717 1.00 0.00 C ATOM 0 H ALA A 93 2.305 -7.513 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 93 1.344 -7.738 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.049 -5.375 2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.278 -6.379 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.223 -5.319 0.838 1.00 0.00 H new ATOM 887 N ILE A 94 -0.552 -6.043 0.365 1.00 0.00 N ATOM 888 CA ILE A 94 -1.906 -5.541 0.159 1.00 0.00 C ATOM 889 C ILE A 94 -2.921 -6.650 0.395 1.00 0.00 C ATOM 890 O ILE A 94 -3.891 -6.477 1.134 1.00 0.00 O ATOM 891 CB ILE A 94 -2.094 -4.984 -1.269 1.00 0.00 C ATOM 892 CG1 ILE A 94 -1.192 -3.773 -1.499 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.551 -4.613 -1.516 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.499 -2.611 -0.583 1.00 0.00 C ATOM 0 H ILE A 94 0.048 -5.982 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.064 -4.732 0.872 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.812 -5.764 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.153 -4.072 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.293 -3.446 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.661 -4.223 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.177 -5.498 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.859 -3.853 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.821 -1.786 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.528 -2.286 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.370 -2.921 0.454 1.00 0.00 H new ATOM 906 N LYS A 95 -2.654 -7.802 -0.203 1.00 0.00 N ATOM 907 CA LYS A 95 -3.516 -8.969 -0.051 1.00 0.00 C ATOM 908 C LYS A 95 -3.619 -9.384 1.412 1.00 0.00 C ATOM 909 O LYS A 95 -4.704 -9.700 1.896 1.00 0.00 O ATOM 910 CB LYS A 95 -2.998 -10.140 -0.885 1.00 0.00 C ATOM 911 CG LYS A 95 -3.021 -9.884 -2.381 1.00 0.00 C ATOM 912 CD LYS A 95 -2.604 -11.118 -3.162 1.00 0.00 C ATOM 913 CE LYS A 95 -2.661 -10.870 -4.659 1.00 0.00 C ATOM 914 NZ LYS A 95 -2.412 -12.110 -5.439 1.00 0.00 N ATOM 0 H LYS A 95 -1.843 -7.956 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.509 -8.694 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.976 -10.367 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.599 -11.023 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.023 -9.581 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.352 -9.057 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.592 -11.406 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.257 -11.952 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.639 -10.466 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.921 -10.117 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.460 -11.896 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.469 -12.482 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.133 -12.821 -5.200 1.00 0.00 H new ATOM 928 N LYS A 96 -2.489 -9.365 2.106 1.00 0.00 N ATOM 929 CA LYS A 96 -2.439 -9.711 3.522 1.00 0.00 C ATOM 930 C LYS A 96 -3.218 -8.685 4.345 1.00 0.00 C ATOM 931 O LYS A 96 -3.904 -9.029 5.306 1.00 0.00 O ATOM 932 CB LYS A 96 -0.975 -9.792 3.981 1.00 0.00 C ATOM 933 CG LYS A 96 -0.769 -10.413 5.360 1.00 0.00 C ATOM 934 CD LYS A 96 -1.062 -9.426 6.476 1.00 0.00 C ATOM 935 CE LYS A 96 -0.808 -10.034 7.842 1.00 0.00 C ATOM 936 NZ LYS A 96 0.608 -10.460 8.005 1.00 0.00 N ATOM 0 H LYS A 96 -1.585 -9.111 1.707 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.904 -10.685 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.411 -10.371 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.554 -8.787 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.416 -11.284 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.258 -10.767 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.440 -8.540 6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.100 -9.099 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.060 -9.308 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.464 -10.893 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.806 -10.630 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.771 -11.335 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.238 -9.713 7.650 1.00 0.00 H new ATOM 950 N GLY A 97 -3.093 -7.425 3.977 1.00 0.00 N ATOM 951 CA GLY A 97 -3.767 -6.375 4.706 1.00 0.00 C ATOM 952 C GLY A 97 -5.273 -6.399 4.528 1.00 0.00 C ATOM 953 O GLY A 97 -6.016 -6.130 5.473 1.00 0.00 O ATOM 0 H GLY A 97 -2.535 -7.108 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.531 -6.468 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.384 -5.409 4.377 1.00 0.00 H new ATOM 957 N VAL A 98 -5.733 -6.655 3.307 1.00 0.00 N ATOM 958 CA VAL A 98 -7.167 -6.644 3.030 1.00 0.00 C ATOM 959 C VAL A 98 -7.869 -7.837 3.685 1.00 0.00 C ATOM 960 O VAL A 98 -8.953 -7.687 4.247 1.00 0.00 O ATOM 961 CB VAL A 98 -7.491 -6.589 1.515 1.00 0.00 C ATOM 962 CG1 VAL A 98 -6.953 -5.307 0.893 1.00 0.00 C ATOM 963 CG2 VAL A 98 -6.941 -7.796 0.782 1.00 0.00 C ATOM 0 H VAL A 98 -5.143 -6.870 2.503 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.552 -5.724 3.471 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.576 -6.600 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.192 -5.290 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.410 -4.446 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.871 -5.266 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.188 -7.722 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.858 -7.831 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.381 -8.704 1.195 1.00 0.00 H new ATOM 973 N GLU A 99 -7.206 -8.995 3.711 1.00 0.00 N ATOM 974 CA GLU A 99 -7.751 -10.162 4.404 1.00 0.00 C ATOM 975 C GLU A 99 -7.771 -9.923 5.912 1.00 0.00 C ATOM 976 O GLU A 99 -8.682 -10.365 6.610 1.00 0.00 O ATOM 977 CB GLU A 99 -6.948 -11.428 4.088 1.00 0.00 C ATOM 978 CG GLU A 99 -5.457 -11.273 4.320 1.00 0.00 C ATOM 979 CD GLU A 99 -4.791 -12.544 4.794 1.00 0.00 C ATOM 980 OE1 GLU A 99 -5.152 -13.043 5.878 1.00 0.00 O ATOM 981 OE2 GLU A 99 -3.888 -13.041 4.090 1.00 0.00 O ATOM 0 H GLU A 99 -6.301 -9.148 3.265 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.771 -10.310 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.320 -12.247 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.119 -11.707 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.984 -10.947 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.291 -10.487 5.057 1.00 0.00 H new ATOM 988 N ALA A 100 -6.756 -9.217 6.403 1.00 0.00 N ATOM 989 CA ALA A 100 -6.650 -8.894 7.821 1.00 0.00 C ATOM 990 C ALA A 100 -7.677 -7.839 8.216 1.00 0.00 C ATOM 991 O ALA A 100 -7.903 -7.586 9.400 1.00 0.00 O ATOM 992 CB ALA A 100 -5.244 -8.416 8.149 1.00 0.00 C ATOM 0 H ALA A 100 -5.990 -8.856 5.834 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.855 -9.798 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.179 -8.178 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.527 -9.201 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.017 -7.525 7.563 1.00 0.00 H new ATOM 998 N GLY A 101 -8.263 -7.197 7.215 1.00 0.00 N ATOM 999 CA GLY A 101 -9.225 -6.146 7.463 1.00 0.00 C ATOM 1000 C GLY A 101 -8.560 -4.866 7.915 1.00 0.00 C ATOM 1001 O GLY A 101 -9.089 -4.145 8.758 1.00 0.00 O ATOM 0 H GLY A 101 -8.086 -7.389 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.797 -5.956 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.933 -6.475 8.223 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.406 -4.573 7.333 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.674 -3.359 7.660 1.00 0.00 C ATOM 1007 C ASP A 102 -6.656 -2.436 6.451 1.00 0.00 C ATOM 1008 O ASP A 102 -6.815 -1.222 6.576 1.00 0.00 O ATOM 1009 CB ASP A 102 -5.245 -3.682 8.102 1.00 0.00 C ATOM 1010 CG ASP A 102 -4.720 -2.687 9.122 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -5.489 -1.802 9.550 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -3.519 -2.750 9.462 1.00 0.00 O ATOM 0 H ASP A 102 -6.956 -5.161 6.631 1.00 0.00 H new ATOM 0 HA ASP A 102 -7.176 -2.861 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.216 -4.685 8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.590 -3.687 7.231 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.639 -3.040 5.269 1.00 0.00 N ATOM 1018 CA PHE A 103 -6.814 -2.289 4.035 1.00 0.00 C ATOM 1019 C PHE A 103 -8.024 -2.835 3.284 1.00 0.00 C ATOM 1020 O PHE A 103 -8.427 -3.977 3.503 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.577 -2.368 3.127 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.259 -2.323 3.841 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.881 -1.212 4.573 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.387 -3.392 3.756 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.658 -1.175 5.212 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.165 -3.363 4.395 1.00 0.00 C ATOM 1027 CZ PHE A 103 -1.798 -2.253 5.125 1.00 0.00 C ATOM 0 H PHE A 103 -6.506 -4.043 5.140 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.963 -1.243 4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.628 -3.291 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.615 -1.544 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.549 -0.366 4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.666 -4.262 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.373 -0.302 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.497 -4.209 4.323 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.842 -2.226 5.627 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.587 -2.028 2.403 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.730 -2.433 1.593 1.00 0.00 C ATOM 1039 C GLU A 104 -9.598 -1.819 0.207 1.00 0.00 C ATOM 1040 O GLU A 104 -9.051 -0.728 0.065 1.00 0.00 O ATOM 1041 CB GLU A 104 -11.050 -1.991 2.248 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.171 -0.484 2.435 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.488 -0.063 3.058 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -12.772 -0.476 4.198 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -13.236 0.703 2.412 1.00 0.00 O ATOM 0 H GLU A 104 -8.269 -1.075 2.226 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.744 -3.520 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.882 -2.340 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.143 -2.477 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.351 -0.135 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.061 0.006 1.467 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.004 -2.541 -0.822 1.00 0.00 N ATOM 1053 CA GLN A 105 -9.877 -2.038 -2.182 1.00 0.00 C ATOM 1054 C GLN A 105 -11.244 -1.741 -2.785 1.00 0.00 C ATOM 1055 O GLN A 105 -11.987 -2.654 -3.154 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.108 -3.026 -3.062 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.658 -3.199 -2.647 1.00 0.00 C ATOM 1058 CD GLN A 105 -6.872 -4.080 -3.596 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -6.654 -3.730 -4.758 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -6.436 -5.227 -3.105 1.00 0.00 N ATOM 0 H GLN A 105 -10.421 -3.469 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.313 -1.106 -2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.606 -3.995 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.144 -2.684 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.183 -2.220 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.621 -3.629 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.639 -5.478 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.896 -5.862 -3.694 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.604 -0.451 -2.868 1.00 0.00 N ATOM 1070 CA PRO A 106 -12.890 -0.009 -3.419 1.00 0.00 C ATOM 1071 C PRO A 106 -13.060 -0.393 -4.886 1.00 0.00 C ATOM 1072 O PRO A 106 -14.166 -0.683 -5.337 1.00 0.00 O ATOM 1073 CB PRO A 106 -12.843 1.518 -3.278 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.400 1.853 -3.122 1.00 0.00 C ATOM 1075 CD PRO A 106 -10.787 0.685 -2.412 1.00 0.00 C ATOM 0 HA PRO A 106 -13.727 -0.475 -2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -13.268 2.007 -4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.420 1.852 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.928 2.013 -4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.271 2.771 -2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.737 0.558 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.830 0.804 -1.329 1.00 0.00 H new ATOM 1083 N LYS A 107 -11.959 -0.362 -5.630 1.00 0.00 N ATOM 1084 CA LYS A 107 -11.986 -0.679 -7.053 1.00 0.00 C ATOM 1085 C LYS A 107 -11.609 -2.135 -7.303 1.00 0.00 C ATOM 1086 O LYS A 107 -11.082 -2.473 -8.368 1.00 0.00 O ATOM 1087 CB LYS A 107 -11.034 0.234 -7.828 1.00 0.00 C ATOM 1088 CG LYS A 107 -11.387 1.710 -7.744 1.00 0.00 C ATOM 1089 CD LYS A 107 -10.477 2.540 -8.635 1.00 0.00 C ATOM 1090 CE LYS A 107 -10.854 4.013 -8.609 1.00 0.00 C ATOM 1091 NZ LYS A 107 -10.030 4.807 -9.557 1.00 0.00 N ATOM 0 H LYS A 107 -11.036 -0.120 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.005 -0.517 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.022 0.091 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.029 -0.069 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.425 1.857 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.300 2.050 -6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.444 2.423 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.532 2.168 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.908 4.123 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.726 4.404 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.315 5.806 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.026 4.721 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.172 4.450 -10.523 1.00 0.00 H new ATOM 1105 N GLY A 108 -11.896 -2.994 -6.334 1.00 0.00 N ATOM 1106 CA GLY A 108 -11.599 -4.403 -6.479 1.00 0.00 C ATOM 1107 C GLY A 108 -10.130 -4.712 -6.330 1.00 0.00 C ATOM 1108 O GLY A 108 -9.306 -3.801 -6.231 1.00 0.00 O ATOM 0 H GLY A 108 -12.331 -2.738 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.161 -4.966 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.939 -4.742 -7.458 1.00 0.00 H new ATOM 1112 N PRO A 109 -9.770 -6.001 -6.342 1.00 0.00 N ATOM 1113 CA PRO A 109 -8.381 -6.432 -6.239 1.00 0.00 C ATOM 1114 C PRO A 109 -7.562 -5.953 -7.424 1.00 0.00 C ATOM 1115 O PRO A 109 -8.066 -5.892 -8.552 1.00 0.00 O ATOM 1116 CB PRO A 109 -8.461 -7.961 -6.233 1.00 0.00 C ATOM 1117 CG PRO A 109 -9.885 -8.282 -5.940 1.00 0.00 C ATOM 1118 CD PRO A 109 -10.685 -7.142 -6.492 1.00 0.00 C ATOM 0 HA PRO A 109 -7.894 -6.026 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.155 -8.374 -7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.799 -8.386 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.176 -9.224 -6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.048 -8.391 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.959 -7.307 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.612 -6.993 -5.939 1.00 0.00 H new ATOM 1126 N ALA A 110 -6.336 -5.537 -7.138 1.00 0.00 N ATOM 1127 CA ALA A 110 -5.442 -4.972 -8.141 1.00 0.00 C ATOM 1128 C ALA A 110 -5.960 -3.620 -8.621 1.00 0.00 C ATOM 1129 O ALA A 110 -5.884 -3.290 -9.806 1.00 0.00 O ATOM 1130 CB ALA A 110 -5.246 -5.936 -9.309 1.00 0.00 C ATOM 0 H ALA A 110 -5.932 -5.582 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.468 -4.815 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.575 -5.488 -10.042 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.814 -6.868 -8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -6.209 -6.141 -9.777 1.00 0.00 H new ATOM 1136 N GLY A 111 -6.445 -2.827 -7.676 1.00 0.00 N ATOM 1137 CA GLY A 111 -6.921 -1.497 -7.991 1.00 0.00 C ATOM 1138 C GLY A 111 -6.431 -0.476 -6.987 1.00 0.00 C ATOM 1139 O GLY A 111 -5.289 -0.543 -6.530 1.00 0.00 O ATOM 0 H GLY A 111 -6.517 -3.084 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.584 -1.217 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.011 -1.495 -8.010 1.00 0.00 H new ATOM 1143 N ALA A 112 -7.309 0.437 -6.603 1.00 0.00 N ATOM 1144 CA ALA A 112 -6.983 1.423 -5.588 1.00 0.00 C ATOM 1145 C ALA A 112 -7.247 0.862 -4.199 1.00 0.00 C ATOM 1146 O ALA A 112 -8.299 0.276 -3.956 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.776 2.704 -5.809 1.00 0.00 C ATOM 0 H ALA A 112 -8.254 0.515 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.922 1.661 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.517 3.430 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.537 3.115 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.843 2.485 -5.758 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.309 1.074 -3.289 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.472 0.645 -1.910 1.00 0.00 C ATOM 1155 C VAL A 113 -6.943 1.818 -1.054 1.00 0.00 C ATOM 1156 O VAL A 113 -6.768 2.979 -1.422 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.160 0.058 -1.324 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -5.383 -0.500 0.081 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.607 -1.025 -2.238 1.00 0.00 C ATOM 0 H VAL A 113 -5.424 1.542 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.221 -0.146 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.433 0.867 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.446 -0.904 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.731 0.297 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.131 -1.292 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.687 -1.426 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.340 -1.826 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.397 -0.600 -3.220 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.621 1.501 0.026 1.00 0.00 N ATOM 1170 CA LYS A 114 -8.194 2.486 0.917 1.00 0.00 C ATOM 1171 C LYS A 114 -8.100 1.971 2.340 1.00 0.00 C ATOM 1172 O LYS A 114 -8.321 0.787 2.580 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.657 2.710 0.526 1.00 0.00 C ATOM 1174 CG LYS A 114 -10.520 3.414 1.566 1.00 0.00 C ATOM 1175 CD LYS A 114 -9.921 4.722 2.028 1.00 0.00 C ATOM 1176 CE LYS A 114 -10.763 5.377 3.107 1.00 0.00 C ATOM 1177 NZ LYS A 114 -10.111 6.603 3.629 1.00 0.00 N ATOM 0 H LYS A 114 -7.793 0.538 0.315 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.656 3.431 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.682 3.293 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.106 1.742 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -11.509 3.599 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.656 2.757 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.915 4.547 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.827 5.399 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.744 5.628 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.924 4.673 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.834 7.241 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.436 6.346 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.606 7.083 2.857 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.644 2.817 3.256 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.505 2.415 4.634 1.00 0.00 C ATOM 1193 C LEU A 115 -8.832 1.884 5.174 1.00 0.00 C ATOM 1194 O LEU A 115 -9.822 2.619 5.237 1.00 0.00 O ATOM 1195 CB LEU A 115 -7.077 3.617 5.460 1.00 0.00 C ATOM 1196 CG LEU A 115 -5.858 3.397 6.332 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -6.142 2.349 7.396 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -4.681 2.987 5.478 1.00 0.00 C ATOM 0 H LEU A 115 -7.368 3.780 3.062 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.757 1.625 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.876 4.449 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.910 3.916 6.096 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.614 4.332 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.254 2.206 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.969 2.682 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.407 1.407 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.808 2.831 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.918 2.062 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.467 3.772 4.753 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.840 0.624 5.584 1.00 0.00 N ATOM 1211 CA ALA A 116 -10.043 0.016 6.128 1.00 0.00 C ATOM 1212 C ALA A 116 -10.200 0.348 7.602 1.00 0.00 C ATOM 1213 O ALA A 116 -9.286 0.145 8.403 1.00 0.00 O ATOM 1214 CB ALA A 116 -10.026 -1.491 5.927 1.00 0.00 C ATOM 0 H ALA A 116 -8.030 0.006 5.550 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.897 0.427 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.936 -1.924 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.971 -1.715 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.159 -1.916 6.433 1.00 0.00 H new ATOM 1220 N LYS A 117 -11.376 0.826 7.959 1.00 0.00 N ATOM 1221 CA LYS A 117 -11.693 1.143 9.341 1.00 0.00 C ATOM 1222 C LYS A 117 -13.034 0.532 9.707 1.00 0.00 C ATOM 1223 O LYS A 117 -13.189 -0.072 10.768 1.00 0.00 O ATOM 1224 CB LYS A 117 -11.725 2.659 9.559 1.00 0.00 C ATOM 1225 CG LYS A 117 -10.375 3.340 9.377 1.00 0.00 C ATOM 1226 CD LYS A 117 -9.369 2.869 10.415 1.00 0.00 C ATOM 1227 CE LYS A 117 -8.019 3.547 10.240 1.00 0.00 C ATOM 1228 NZ LYS A 117 -8.087 5.011 10.501 1.00 0.00 N ATOM 0 H LYS A 117 -12.137 1.006 7.304 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.917 0.726 9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -12.440 3.101 8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.091 2.863 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.993 3.132 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.498 4.420 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.753 3.076 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.246 1.789 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.296 3.092 10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.658 3.377 9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.125 5.405 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.635 5.473 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.548 5.179 11.418 1.00 0.00 H new ATOM 1242 N LYS A 118 -13.972 0.614 8.778 1.00 0.00 N ATOM 1243 CA LYS A 118 -15.282 0.009 8.947 1.00 0.00 C ATOM 1244 C LYS A 118 -15.731 -0.624 7.641 1.00 0.00 C ATOM 1245 O LYS A 118 -15.599 -0.017 6.578 1.00 0.00 O ATOM 1246 CB LYS A 118 -16.313 1.055 9.389 1.00 0.00 C ATOM 1247 CG LYS A 118 -16.108 1.572 10.803 1.00 0.00 C ATOM 1248 CD LYS A 118 -16.312 0.477 11.839 1.00 0.00 C ATOM 1249 CE LYS A 118 -17.749 -0.026 11.853 1.00 0.00 C ATOM 1250 NZ LYS A 118 -17.963 -1.053 12.908 1.00 0.00 N ATOM 0 H LYS A 118 -13.848 1.099 7.890 1.00 0.00 H new ATOM 0 HA LYS A 118 -15.208 -0.757 9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -16.279 1.897 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -17.310 0.621 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.102 1.980 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -16.803 2.389 10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -15.638 -0.353 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.050 0.857 12.826 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -18.426 0.812 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -17.996 -0.448 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -18.953 -1.372 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -17.335 -1.864 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -17.751 -0.643 13.840 1.00 0.00 H new ATOM 1264 N LYS A 119 -16.295 -1.820 7.725 1.00 0.00 N ATOM 1265 CA LYS A 119 -16.826 -2.499 6.547 1.00 0.00 C ATOM 1266 C LYS A 119 -18.173 -1.901 6.147 1.00 0.00 C ATOM 1267 O LYS A 119 -19.196 -2.586 6.124 1.00 0.00 O ATOM 1268 CB LYS A 119 -16.950 -4.008 6.788 1.00 0.00 C ATOM 1269 CG LYS A 119 -15.709 -4.796 6.385 1.00 0.00 C ATOM 1270 CD LYS A 119 -14.505 -4.483 7.261 1.00 0.00 C ATOM 1271 CE LYS A 119 -14.672 -5.039 8.665 1.00 0.00 C ATOM 1272 NZ LYS A 119 -13.449 -4.839 9.488 1.00 0.00 N ATOM 0 H LYS A 119 -16.398 -2.342 8.595 1.00 0.00 H new ATOM 0 HA LYS A 119 -16.125 -2.350 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -17.154 -4.183 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -17.807 -4.387 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.927 -5.863 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.465 -4.575 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.607 -4.902 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.363 -3.404 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.519 -4.554 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.903 -6.103 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.602 -5.232 10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.645 -5.323 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.243 -3.822 9.562 1.00 0.00 H new ATOM 1286 N SER A 120 -18.157 -0.609 5.873 1.00 0.00 N ATOM 1287 CA SER A 120 -19.342 0.136 5.496 1.00 0.00 C ATOM 1288 C SER A 120 -19.824 -0.251 4.099 1.00 0.00 C ATOM 1289 O SER A 120 -19.055 -0.784 3.293 1.00 0.00 O ATOM 1290 CB SER A 120 -19.020 1.627 5.556 1.00 0.00 C ATOM 1291 OG SER A 120 -17.714 1.872 5.060 1.00 0.00 O ATOM 0 H SER A 120 -17.310 -0.042 5.907 1.00 0.00 H new ATOM 0 HA SER A 120 -20.148 -0.101 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 120 -19.749 2.187 4.970 1.00 0.00 H new ATOM 0 HB3 SER A 120 -19.098 1.981 6.584 1.00 0.00 H new ATOM 0 HG SER A 120 -17.522 2.832 5.103 1.00 0.00 H new ATOM 1297 N PRO A 121 -21.117 -0.024 3.811 1.00 0.00 N ATOM 1298 CA PRO A 121 -21.707 -0.342 2.508 1.00 0.00 C ATOM 1299 C PRO A 121 -21.155 0.536 1.383 1.00 0.00 C ATOM 1300 O PRO A 121 -20.247 1.346 1.598 1.00 0.00 O ATOM 1301 CB PRO A 121 -23.200 -0.073 2.708 1.00 0.00 C ATOM 1302 CG PRO A 121 -23.270 0.884 3.843 1.00 0.00 C ATOM 1303 CD PRO A 121 -22.105 0.563 4.734 1.00 0.00 C ATOM 0 HA PRO A 121 -21.482 -1.365 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -23.649 0.348 1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -23.740 -0.993 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -23.217 1.913 3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -24.212 0.781 4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -21.716 1.456 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -22.383 -0.137 5.522 1.00 0.00 H new ATOM 1311 N GLU A 122 -21.675 0.314 0.176 1.00 0.00 N ATOM 1312 CA GLU A 122 -21.210 1.002 -1.025 1.00 0.00 C ATOM 1313 C GLU A 122 -19.756 0.659 -1.311 1.00 0.00 C ATOM 1314 O GLU A 122 -19.009 1.455 -1.883 1.00 0.00 O ATOM 1315 CB GLU A 122 -21.411 2.518 -0.929 1.00 0.00 C ATOM 1316 CG GLU A 122 -22.850 2.950 -1.161 1.00 0.00 C ATOM 1317 CD GLU A 122 -23.026 4.453 -1.103 1.00 0.00 C ATOM 1318 OE1 GLU A 122 -22.823 5.039 -0.018 1.00 0.00 O ATOM 1319 OE2 GLU A 122 -23.372 5.059 -2.136 1.00 0.00 O ATOM 0 H GLU A 122 -22.431 -0.349 0.005 1.00 0.00 H new ATOM 0 HA GLU A 122 -21.816 0.651 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -21.091 2.858 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -20.769 3.010 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -23.182 2.587 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -23.490 2.484 -0.412 1.00 0.00 H new ATOM 1326 N VAL A 123 -19.425 -0.597 -1.056 1.00 0.00 N ATOM 1327 CA VAL A 123 -18.134 -1.150 -1.428 1.00 0.00 C ATOM 1328 C VAL A 123 -18.371 -2.493 -2.103 1.00 0.00 C ATOM 1329 O VAL A 123 -17.918 -3.541 -1.642 1.00 0.00 O ATOM 1330 CB VAL A 123 -17.186 -1.329 -0.218 1.00 0.00 C ATOM 1331 CG1 VAL A 123 -15.776 -1.658 -0.684 1.00 0.00 C ATOM 1332 CG2 VAL A 123 -17.178 -0.091 0.661 1.00 0.00 C ATOM 0 H VAL A 123 -20.042 -1.260 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 123 -17.644 -0.449 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 123 -17.559 -2.163 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -15.126 -1.780 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -15.790 -2.583 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -15.401 -0.847 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -16.503 -0.247 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -16.840 0.766 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -18.185 0.097 1.033 1.00 0.00 H new ATOM 1342 N LYS A 124 -19.193 -2.460 -3.135 1.00 0.00 N ATOM 1343 CA LYS A 124 -19.596 -3.668 -3.839 1.00 0.00 C ATOM 1344 C LYS A 124 -19.008 -3.690 -5.243 1.00 0.00 C ATOM 1345 O LYS A 124 -19.672 -4.050 -6.218 1.00 0.00 O ATOM 1346 CB LYS A 124 -21.129 -3.795 -3.867 1.00 0.00 C ATOM 1347 CG LYS A 124 -21.863 -2.539 -4.312 1.00 0.00 C ATOM 1348 CD LYS A 124 -23.358 -2.643 -4.048 1.00 0.00 C ATOM 1349 CE LYS A 124 -24.073 -1.339 -4.367 1.00 0.00 C ATOM 1350 NZ LYS A 124 -25.492 -1.360 -3.924 1.00 0.00 N ATOM 0 H LYS A 124 -19.599 -1.602 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 124 -19.204 -4.531 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -21.400 -4.613 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -21.476 -4.068 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -21.459 -1.674 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -21.691 -2.373 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -23.780 -3.447 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -23.527 -2.905 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -23.554 -0.513 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -24.031 -1.155 -5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -25.943 -0.453 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -25.995 -2.132 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -25.532 -1.509 -2.896 1.00 0.00 H new ATOM 1364 N LYS A 125 -17.732 -3.345 -5.320 1.00 0.00 N ATOM 1365 CA LYS A 125 -16.999 -3.366 -6.577 1.00 0.00 C ATOM 1366 C LYS A 125 -15.691 -4.119 -6.388 1.00 0.00 C ATOM 1367 O LYS A 125 -14.706 -3.855 -7.075 1.00 0.00 O ATOM 1368 CB LYS A 125 -16.694 -1.939 -7.045 1.00 0.00 C ATOM 1369 CG LYS A 125 -17.901 -1.020 -7.092 1.00 0.00 C ATOM 1370 CD LYS A 125 -17.485 0.395 -7.449 1.00 0.00 C ATOM 1371 CE LYS A 125 -18.664 1.354 -7.446 1.00 0.00 C ATOM 1372 NZ LYS A 125 -18.239 2.732 -7.799 1.00 0.00 N ATOM 0 H LYS A 125 -17.178 -3.044 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 125 -17.611 -3.863 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -15.948 -1.504 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -16.248 -1.984 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -18.617 -1.390 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -18.405 -1.023 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.734 0.742 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -17.018 0.398 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -19.417 1.010 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -19.131 1.356 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -19.065 3.364 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -17.538 3.067 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -17.815 2.732 -8.749 1.00 0.00 H new ATOM 1386 N GLU A 126 -15.667 -5.004 -5.400 1.00 0.00 N ATOM 1387 CA GLU A 126 -14.449 -5.720 -5.039 1.00 0.00 C ATOM 1388 C GLU A 126 -14.441 -7.134 -5.615 1.00 0.00 C ATOM 1389 O GLU A 126 -13.464 -7.866 -5.464 1.00 0.00 O ATOM 1390 CB GLU A 126 -14.300 -5.763 -3.517 1.00 0.00 C ATOM 1391 CG GLU A 126 -15.420 -6.511 -2.819 1.00 0.00 C ATOM 1392 CD GLU A 126 -15.312 -6.481 -1.309 1.00 0.00 C ATOM 1393 OE1 GLU A 126 -14.348 -5.890 -0.778 1.00 0.00 O ATOM 1394 OE2 GLU A 126 -16.203 -7.048 -0.645 1.00 0.00 O ATOM 0 H GLU A 126 -16.480 -5.244 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.602 -5.184 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -13.349 -6.233 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -14.262 -4.743 -3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -16.376 -6.080 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -15.420 -7.548 -3.156 1.00 0.00 H new ATOM 1401 N LYS A 127 -15.548 -7.511 -6.250 1.00 0.00 N ATOM 1402 CA LYS A 127 -15.723 -8.842 -6.837 1.00 0.00 C ATOM 1403 C LYS A 127 -15.815 -9.925 -5.762 1.00 0.00 C ATOM 1404 O LYS A 127 -16.887 -10.483 -5.535 1.00 0.00 O ATOM 1405 CB LYS A 127 -14.588 -9.194 -7.811 1.00 0.00 C ATOM 1406 CG LYS A 127 -14.773 -10.557 -8.470 1.00 0.00 C ATOM 1407 CD LYS A 127 -13.451 -11.273 -8.700 1.00 0.00 C ATOM 1408 CE LYS A 127 -12.585 -10.568 -9.729 1.00 0.00 C ATOM 1409 NZ LYS A 127 -11.334 -11.324 -10.001 1.00 0.00 N ATOM 0 H LYS A 127 -16.355 -6.900 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 127 -16.662 -8.808 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -14.528 -8.428 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -13.639 -9.181 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -15.415 -11.177 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.285 -10.430 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -12.908 -11.341 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.646 -12.293 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -13.146 -10.446 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -12.337 -9.568 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.767 -10.814 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -10.787 -11.419 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -11.572 -12.269 -10.364 1.00 0.00 H new ATOM 1423 N GLU A 128 -14.679 -10.253 -5.149 1.00 0.00 N ATOM 1424 CA GLU A 128 -14.606 -11.340 -4.175 1.00 0.00 C ATOM 1425 C GLU A 128 -13.405 -11.186 -3.248 1.00 0.00 C ATOM 1426 O GLU A 128 -12.628 -12.125 -3.067 1.00 0.00 O ATOM 1427 CB GLU A 128 -14.512 -12.698 -4.887 1.00 0.00 C ATOM 1428 CG GLU A 128 -15.847 -13.269 -5.338 1.00 0.00 C ATOM 1429 CD GLU A 128 -16.779 -13.585 -4.183 1.00 0.00 C ATOM 1430 OE1 GLU A 128 -16.392 -13.364 -3.015 1.00 0.00 O ATOM 1431 OE2 GLU A 128 -17.905 -14.067 -4.432 1.00 0.00 O ATOM 0 H GLU A 128 -13.791 -9.778 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 128 -15.518 -11.295 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -13.864 -12.593 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -14.034 -13.413 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -16.333 -12.557 -6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -15.671 -14.177 -5.914 1.00 0.00 H new ATOM 1438 N VAL A 129 -13.286 -10.036 -2.599 1.00 0.00 N ATOM 1439 CA VAL A 129 -12.233 -9.840 -1.605 1.00 0.00 C ATOM 1440 C VAL A 129 -12.669 -10.441 -0.263 1.00 0.00 C ATOM 1441 O VAL A 129 -12.837 -9.734 0.735 1.00 0.00 O ATOM 1442 CB VAL A 129 -11.860 -8.348 -1.430 1.00 0.00 C ATOM 1443 CG1 VAL A 129 -10.659 -8.191 -0.503 1.00 0.00 C ATOM 1444 CG2 VAL A 129 -11.565 -7.712 -2.777 1.00 0.00 C ATOM 0 H VAL A 129 -13.897 -9.231 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 129 -11.340 -10.352 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 129 -12.712 -7.839 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -10.417 -7.133 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -10.897 -8.609 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -9.803 -8.718 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -11.305 -6.663 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -10.732 -8.232 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -12.446 -7.784 -3.414 1.00 0.00 H new ATOM 1454 N SER A 130 -12.948 -11.736 -0.281 1.00 0.00 N ATOM 1455 CA SER A 130 -13.448 -12.439 0.884 1.00 0.00 C ATOM 1456 C SER A 130 -13.370 -13.936 0.635 1.00 0.00 C ATOM 1457 O SER A 130 -12.984 -14.327 -0.489 1.00 0.00 O ATOM 1458 CB SER A 130 -14.893 -12.028 1.169 1.00 0.00 C ATOM 1459 OG SER A 130 -15.359 -12.570 2.395 1.00 0.00 O ATOM 1460 OXT SER A 130 -13.693 -14.715 1.553 1.00 0.00 O ATOM 0 H SER A 130 -12.833 -12.326 -1.105 1.00 0.00 H new ATOM 0 HA SER A 130 -12.839 -12.182 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 130 -14.963 -10.941 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 130 -15.535 -12.364 0.355 1.00 0.00 H new ATOM 0 HG SER A 130 -14.994 -13.472 2.514 1.00 0.00 H new TER 1466 SER A 130