USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 961 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 57 ASN : amide:sc= 0.11 K(o=0.5,f=-2.5) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -150:sc= 0.385 (180deg=0) USER MOD Set 2.1: A 44 HIS :FLIP no HD1:sc= -0.242 F(o=-3.2,f=-1.8) USER MOD Set 2.2: A 60 MET CE :methyl -169:sc= -1.53 (180deg=-1.82) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.572 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.0217 USER MOD Single : A 6 SER OG : rot -14:sc= 0.766 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 170:sc= -0.0182 USER MOD Single : A 52 GLN : amide:sc= -1.52 K(o=-1.5,f=-7!) USER MOD Single : A 53 CYS SG : rot -70:sc= -2.31 USER MOD Single : A 55 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.077) USER MOD Single : A 56 MET CE :methyl -118:sc= -0.414 (180deg=-2.71!) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0813) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.485 F(o=-5.4,f=-0.48) USER MOD Single : A 71 SER OG : rot -79:sc= -1.58 USER MOD Single : A 84 SER OG : rot 85:sc= 0.667 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 107:sc= 1.48 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 27:sc= 0.801 USER MOD Single : A 94 THR OG1 : rot 138:sc= 0.748 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.5!) USER MOD Single : A 101 SER OG : rot -57:sc= 0.212 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.575 F(o=-2,f=-0.57) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc=-0.00242 (180deg=-0.00242) USER MOD Single : A 118 LYS NZ :NH3+ 143:sc= 1.52 (180deg=0.31) USER MOD Single : A 120 GLN : amide:sc= -2.53! C(o=-2.5!,f=-4.4!) USER MOD Single : A 122 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-6.3!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 27:sc= 0.549 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.376 -41.115 2.834 1.00 0.00 N ATOM 2 CA GLY A 1 13.304 -42.168 3.205 1.00 0.00 C ATOM 3 C GLY A 1 14.013 -42.764 2.006 1.00 0.00 C ATOM 4 O GLY A 1 14.814 -42.095 1.354 1.00 0.00 O ATOM 0 H1 GLY A 1 11.917 -40.740 3.688 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.892 -40.350 2.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.653 -41.499 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.044 -41.769 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.764 -42.955 3.732 1.00 0.00 H new ATOM 8 N SER A 2 13.719 -44.028 1.714 1.00 0.00 N ATOM 9 CA SER A 2 14.339 -44.716 0.588 1.00 0.00 C ATOM 10 C SER A 2 13.481 -44.587 -0.666 1.00 0.00 C ATOM 11 O SER A 2 12.694 -45.477 -0.988 1.00 0.00 O ATOM 12 CB SER A 2 14.554 -46.194 0.923 1.00 0.00 C ATOM 13 OG SER A 2 13.335 -46.816 1.290 1.00 0.00 O ATOM 0 H SER A 2 13.056 -44.595 2.242 1.00 0.00 H new ATOM 0 HA SER A 2 15.305 -44.250 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.983 -46.707 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.272 -46.285 1.738 1.00 0.00 H new ATOM 0 HG SER A 2 12.641 -46.587 0.637 1.00 0.00 H new ATOM 19 N SER A 3 13.640 -43.472 -1.372 1.00 0.00 N ATOM 20 CA SER A 3 12.877 -43.223 -2.590 1.00 0.00 C ATOM 21 C SER A 3 13.363 -41.955 -3.285 1.00 0.00 C ATOM 22 O SER A 3 13.701 -40.967 -2.634 1.00 0.00 O ATOM 23 CB SER A 3 11.387 -43.103 -2.268 1.00 0.00 C ATOM 24 OG SER A 3 10.613 -43.034 -3.453 1.00 0.00 O ATOM 0 H SER A 3 14.290 -42.727 -1.122 1.00 0.00 H new ATOM 0 HA SER A 3 13.029 -44.067 -3.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.070 -43.959 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.213 -42.213 -1.664 1.00 0.00 H new ATOM 0 HG SER A 3 9.664 -42.959 -3.220 1.00 0.00 H new ATOM 30 N GLY A 4 13.395 -41.991 -4.614 1.00 0.00 N ATOM 31 CA GLY A 4 13.841 -40.840 -5.377 1.00 0.00 C ATOM 32 C GLY A 4 12.774 -40.322 -6.321 1.00 0.00 C ATOM 33 O GLY A 4 11.815 -41.028 -6.633 1.00 0.00 O ATOM 0 H GLY A 4 13.120 -42.797 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.133 -40.044 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.729 -41.109 -5.949 1.00 0.00 H new ATOM 37 N SER A 5 12.940 -39.084 -6.776 1.00 0.00 N ATOM 38 CA SER A 5 11.980 -38.469 -7.686 1.00 0.00 C ATOM 39 C SER A 5 12.692 -37.614 -8.729 1.00 0.00 C ATOM 40 O SER A 5 13.892 -37.360 -8.627 1.00 0.00 O ATOM 41 CB SER A 5 10.981 -37.613 -6.904 1.00 0.00 C ATOM 42 OG SER A 5 9.950 -38.412 -6.350 1.00 0.00 O ATOM 0 H SER A 5 13.730 -38.487 -6.530 1.00 0.00 H new ATOM 0 HA SER A 5 11.442 -39.265 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.500 -37.079 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.548 -36.860 -7.563 1.00 0.00 H new ATOM 0 HG SER A 5 10.253 -39.342 -6.291 1.00 0.00 H new ATOM 48 N SER A 6 11.943 -37.173 -9.735 1.00 0.00 N ATOM 49 CA SER A 6 12.501 -36.349 -10.801 1.00 0.00 C ATOM 50 C SER A 6 11.408 -35.539 -11.491 1.00 0.00 C ATOM 51 O SER A 6 10.459 -36.098 -12.040 1.00 0.00 O ATOM 52 CB SER A 6 13.226 -37.226 -11.824 1.00 0.00 C ATOM 53 OG SER A 6 14.279 -37.954 -11.217 1.00 0.00 O ATOM 0 H SER A 6 10.948 -37.373 -9.834 1.00 0.00 H new ATOM 0 HA SER A 6 13.215 -35.656 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.518 -37.917 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.625 -36.603 -12.624 1.00 0.00 H new ATOM 0 HG SER A 6 14.470 -37.577 -10.333 1.00 0.00 H new ATOM 59 N GLY A 7 11.550 -34.218 -11.459 1.00 0.00 N ATOM 60 CA GLY A 7 10.568 -33.351 -12.085 1.00 0.00 C ATOM 61 C GLY A 7 11.108 -31.960 -12.350 1.00 0.00 C ATOM 62 O GLY A 7 12.319 -31.741 -12.321 1.00 0.00 O ATOM 0 H GLY A 7 12.327 -33.732 -11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.242 -33.796 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.689 -33.280 -11.444 1.00 0.00 H new ATOM 66 N MET A 8 10.208 -31.017 -12.609 1.00 0.00 N ATOM 67 CA MET A 8 10.602 -29.639 -12.881 1.00 0.00 C ATOM 68 C MET A 8 9.861 -28.671 -11.964 1.00 0.00 C ATOM 69 O MET A 8 8.913 -29.053 -11.279 1.00 0.00 O ATOM 70 CB MET A 8 10.326 -29.287 -14.344 1.00 0.00 C ATOM 71 CG MET A 8 8.848 -29.117 -14.660 1.00 0.00 C ATOM 72 SD MET A 8 8.561 -28.505 -16.331 1.00 0.00 S ATOM 73 CE MET A 8 6.898 -27.858 -16.174 1.00 0.00 C ATOM 0 H MET A 8 9.202 -31.181 -12.636 1.00 0.00 H new ATOM 0 HA MET A 8 11.671 -29.548 -12.688 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.851 -28.364 -14.592 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.738 -30.069 -14.981 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.342 -30.074 -14.536 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.404 -28.426 -13.943 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.577 -27.443 -17.129 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.221 -28.661 -15.882 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.882 -27.076 -15.415 1.00 0.00 H new ATOM 83 N ALA A 9 10.301 -27.417 -11.956 1.00 0.00 N ATOM 84 CA ALA A 9 9.679 -26.395 -11.124 1.00 0.00 C ATOM 85 C ALA A 9 8.646 -25.599 -11.914 1.00 0.00 C ATOM 86 O ALA A 9 8.935 -25.092 -12.997 1.00 0.00 O ATOM 87 CB ALA A 9 10.737 -25.466 -10.549 1.00 0.00 C ATOM 0 H ALA A 9 11.086 -27.085 -12.516 1.00 0.00 H new ATOM 0 HA ALA A 9 9.165 -26.894 -10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.258 -24.708 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.436 -26.042 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.277 -24.982 -11.363 1.00 0.00 H new ATOM 93 N ALA A 10 7.440 -25.493 -11.364 1.00 0.00 N ATOM 94 CA ALA A 10 6.365 -24.757 -12.017 1.00 0.00 C ATOM 95 C ALA A 10 6.283 -23.327 -11.496 1.00 0.00 C ATOM 96 O ALA A 10 5.729 -23.075 -10.427 1.00 0.00 O ATOM 97 CB ALA A 10 5.037 -25.472 -11.813 1.00 0.00 C ATOM 0 H ALA A 10 7.184 -25.908 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 10 6.583 -24.715 -13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.243 -24.912 -12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.093 -26.473 -12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.823 -25.544 -10.747 1.00 0.00 H new ATOM 103 N GLY A 11 6.841 -22.391 -12.260 1.00 0.00 N ATOM 104 CA GLY A 11 6.821 -20.997 -11.858 1.00 0.00 C ATOM 105 C GLY A 11 5.424 -20.409 -11.873 1.00 0.00 C ATOM 106 O GLY A 11 4.859 -20.106 -10.823 1.00 0.00 O ATOM 0 H GLY A 11 7.306 -22.574 -13.149 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.240 -20.905 -10.856 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.462 -20.420 -12.525 1.00 0.00 H new ATOM 110 N ALA A 12 4.867 -20.244 -13.069 1.00 0.00 N ATOM 111 CA ALA A 12 3.527 -19.689 -13.216 1.00 0.00 C ATOM 112 C ALA A 12 3.357 -18.433 -12.368 1.00 0.00 C ATOM 113 O ALA A 12 2.302 -18.212 -11.775 1.00 0.00 O ATOM 114 CB ALA A 12 2.481 -20.727 -12.842 1.00 0.00 C ATOM 0 H ALA A 12 5.323 -20.487 -13.949 1.00 0.00 H new ATOM 0 HA ALA A 12 3.388 -19.411 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.486 -20.298 -12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.580 -21.595 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.627 -21.034 -11.806 1.00 0.00 H new ATOM 120 N ALA A 13 4.403 -17.615 -12.313 1.00 0.00 N ATOM 121 CA ALA A 13 4.368 -16.381 -11.538 1.00 0.00 C ATOM 122 C ALA A 13 3.093 -15.592 -11.819 1.00 0.00 C ATOM 123 O ALA A 13 2.852 -15.168 -12.948 1.00 0.00 O ATOM 124 CB ALA A 13 5.594 -15.532 -11.841 1.00 0.00 C ATOM 0 H ALA A 13 5.285 -17.785 -12.796 1.00 0.00 H new ATOM 0 HA ALA A 13 4.375 -16.645 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.554 -14.614 -11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.495 -16.089 -11.583 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.612 -15.285 -12.902 1.00 0.00 H new ATOM 130 N GLU A 14 2.282 -15.400 -10.784 1.00 0.00 N ATOM 131 CA GLU A 14 1.031 -14.663 -10.921 1.00 0.00 C ATOM 132 C GLU A 14 1.247 -13.364 -11.693 1.00 0.00 C ATOM 133 O GLU A 14 1.988 -12.485 -11.255 1.00 0.00 O ATOM 134 CB GLU A 14 0.439 -14.357 -9.544 1.00 0.00 C ATOM 135 CG GLU A 14 -0.843 -13.544 -9.599 1.00 0.00 C ATOM 136 CD GLU A 14 -1.157 -12.860 -8.282 1.00 0.00 C ATOM 137 OE1 GLU A 14 -1.032 -13.518 -7.228 1.00 0.00 O ATOM 138 OE2 GLU A 14 -1.528 -11.668 -8.306 1.00 0.00 O ATOM 0 H GLU A 14 2.468 -15.744 -9.842 1.00 0.00 H new ATOM 0 HA GLU A 14 0.332 -15.286 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.242 -15.296 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.177 -13.816 -8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.759 -12.792 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.672 -14.197 -9.871 1.00 0.00 H new ATOM 145 N ALA A 15 0.594 -13.252 -12.845 1.00 0.00 N ATOM 146 CA ALA A 15 0.712 -12.062 -13.678 1.00 0.00 C ATOM 147 C ALA A 15 -0.139 -10.922 -13.130 1.00 0.00 C ATOM 148 O ALA A 15 -1.336 -11.086 -12.897 1.00 0.00 O ATOM 149 CB ALA A 15 0.314 -12.379 -15.112 1.00 0.00 C ATOM 0 H ALA A 15 -0.023 -13.972 -13.223 1.00 0.00 H new ATOM 0 HA ALA A 15 1.754 -11.742 -13.665 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.407 -11.481 -15.722 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.968 -13.156 -15.508 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.719 -12.728 -15.134 1.00 0.00 H new ATOM 155 N ALA A 16 0.486 -9.767 -12.927 1.00 0.00 N ATOM 156 CA ALA A 16 -0.215 -8.599 -12.408 1.00 0.00 C ATOM 157 C ALA A 16 0.664 -7.356 -12.476 1.00 0.00 C ATOM 158 O ALA A 16 1.890 -7.452 -12.545 1.00 0.00 O ATOM 159 CB ALA A 16 -0.670 -8.850 -10.978 1.00 0.00 C ATOM 0 H ALA A 16 1.477 -9.615 -13.114 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.092 -8.425 -13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.192 -7.970 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.342 -9.708 -10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.198 -9.052 -10.350 1.00 0.00 H new ATOM 165 N VAL A 17 0.031 -6.187 -12.456 1.00 0.00 N ATOM 166 CA VAL A 17 0.756 -4.923 -12.515 1.00 0.00 C ATOM 167 C VAL A 17 1.041 -4.388 -11.117 1.00 0.00 C ATOM 168 O VAL A 17 0.194 -4.464 -10.227 1.00 0.00 O ATOM 169 CB VAL A 17 -0.028 -3.862 -13.309 1.00 0.00 C ATOM 170 CG1 VAL A 17 0.737 -2.548 -13.345 1.00 0.00 C ATOM 171 CG2 VAL A 17 -0.318 -4.358 -14.718 1.00 0.00 C ATOM 0 H VAL A 17 -0.983 -6.089 -12.399 1.00 0.00 H new ATOM 0 HA VAL A 17 1.699 -5.123 -13.024 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.979 -3.687 -12.807 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.167 -1.811 -13.910 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.889 -2.187 -12.328 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.704 -2.703 -13.823 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.873 -3.596 -15.265 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.621 -4.563 -15.232 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.910 -5.272 -14.667 1.00 0.00 H new ATOM 181 N ALA A 18 2.240 -3.845 -10.930 1.00 0.00 N ATOM 182 CA ALA A 18 2.637 -3.294 -9.640 1.00 0.00 C ATOM 183 C ALA A 18 2.314 -1.806 -9.556 1.00 0.00 C ATOM 184 O ALA A 18 3.096 -1.021 -9.021 1.00 0.00 O ATOM 185 CB ALA A 18 4.120 -3.529 -9.399 1.00 0.00 C ATOM 0 H ALA A 18 2.953 -3.775 -11.656 1.00 0.00 H new ATOM 0 HA ALA A 18 2.069 -3.807 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.402 -3.112 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.325 -4.600 -9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.698 -3.044 -10.186 1.00 0.00 H new ATOM 191 N ALA A 19 1.157 -1.425 -10.088 1.00 0.00 N ATOM 192 CA ALA A 19 0.731 -0.032 -10.072 1.00 0.00 C ATOM 193 C ALA A 19 -0.645 0.114 -9.431 1.00 0.00 C ATOM 194 O ALA A 19 -1.487 -0.778 -9.534 1.00 0.00 O ATOM 195 CB ALA A 19 0.719 0.533 -11.485 1.00 0.00 C ATOM 0 H ALA A 19 0.498 -2.062 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 19 1.445 0.533 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.399 1.575 -11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.721 0.473 -11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.029 -0.043 -12.101 1.00 0.00 H new ATOM 201 N VAL A 20 -0.867 1.245 -8.768 1.00 0.00 N ATOM 202 CA VAL A 20 -2.141 1.508 -8.110 1.00 0.00 C ATOM 203 C VAL A 20 -3.208 1.913 -9.120 1.00 0.00 C ATOM 204 O VAL A 20 -2.982 2.783 -9.960 1.00 0.00 O ATOM 205 CB VAL A 20 -2.006 2.617 -7.049 1.00 0.00 C ATOM 206 CG1 VAL A 20 -1.447 3.887 -7.672 1.00 0.00 C ATOM 207 CG2 VAL A 20 -3.349 2.884 -6.386 1.00 0.00 C ATOM 0 H VAL A 20 -0.181 1.994 -8.673 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.442 0.582 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.308 2.281 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.359 4.659 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.464 3.682 -8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.117 4.231 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.236 3.670 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.070 3.200 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.704 1.973 -5.904 1.00 0.00 H new ATOM 217 N GLU A 21 -4.371 1.276 -9.032 1.00 0.00 N ATOM 218 CA GLU A 21 -5.474 1.571 -9.940 1.00 0.00 C ATOM 219 C GLU A 21 -6.439 2.574 -9.315 1.00 0.00 C ATOM 220 O GLU A 21 -6.507 2.708 -8.094 1.00 0.00 O ATOM 221 CB GLU A 21 -6.221 0.286 -10.304 1.00 0.00 C ATOM 222 CG GLU A 21 -5.425 -0.648 -11.200 1.00 0.00 C ATOM 223 CD GLU A 21 -5.652 -0.375 -12.675 1.00 0.00 C ATOM 224 OE1 GLU A 21 -6.786 -0.001 -13.041 1.00 0.00 O ATOM 225 OE2 GLU A 21 -4.696 -0.536 -13.462 1.00 0.00 O ATOM 0 H GLU A 21 -4.574 0.553 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.058 2.010 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.487 -0.242 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.154 0.547 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.364 -0.545 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.699 -1.679 -10.979 1.00 0.00 H new ATOM 232 N GLU A 22 -7.184 3.276 -10.163 1.00 0.00 N ATOM 233 CA GLU A 22 -8.145 4.268 -9.695 1.00 0.00 C ATOM 234 C GLU A 22 -9.576 3.774 -9.889 1.00 0.00 C ATOM 235 O GLU A 22 -9.898 3.155 -10.903 1.00 0.00 O ATOM 236 CB GLU A 22 -7.946 5.592 -10.435 1.00 0.00 C ATOM 237 CG GLU A 22 -8.156 5.488 -11.936 1.00 0.00 C ATOM 238 CD GLU A 22 -6.956 4.902 -12.654 1.00 0.00 C ATOM 239 OE1 GLU A 22 -5.831 5.391 -12.423 1.00 0.00 O ATOM 240 OE2 GLU A 22 -7.143 3.955 -13.447 1.00 0.00 O ATOM 0 H GLU A 22 -7.141 3.176 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.975 4.426 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.637 6.332 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.938 5.958 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.031 4.869 -12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.368 6.478 -12.339 1.00 0.00 H new ATOM 247 N VAL A 23 -10.429 4.052 -8.909 1.00 0.00 N ATOM 248 CA VAL A 23 -11.826 3.637 -8.971 1.00 0.00 C ATOM 249 C VAL A 23 -12.756 4.844 -9.016 1.00 0.00 C ATOM 250 O VAL A 23 -12.798 5.644 -8.083 1.00 0.00 O ATOM 251 CB VAL A 23 -12.203 2.756 -7.765 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.677 2.384 -7.816 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.332 1.510 -7.722 1.00 0.00 C ATOM 0 H VAL A 23 -10.178 4.563 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.944 3.057 -9.886 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.027 3.326 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.925 1.762 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.282 3.290 -7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.882 1.833 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.612 0.900 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.473 0.936 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.285 1.801 -7.634 1.00 0.00 H new ATOM 263 N GLY A 24 -13.503 4.968 -10.109 1.00 0.00 N ATOM 264 CA GLY A 24 -14.424 6.080 -10.256 1.00 0.00 C ATOM 265 C GLY A 24 -15.867 5.628 -10.360 1.00 0.00 C ATOM 266 O GLY A 24 -16.717 6.355 -10.874 1.00 0.00 O ATOM 0 H GLY A 24 -13.487 4.318 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.317 6.751 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.160 6.651 -11.146 1.00 0.00 H new ATOM 270 N SER A 25 -16.145 4.423 -9.873 1.00 0.00 N ATOM 271 CA SER A 25 -17.494 3.872 -9.918 1.00 0.00 C ATOM 272 C SER A 25 -17.634 2.695 -8.957 1.00 0.00 C ATOM 273 O SER A 25 -16.737 1.860 -8.847 1.00 0.00 O ATOM 274 CB SER A 25 -17.838 3.426 -11.341 1.00 0.00 C ATOM 275 OG SER A 25 -16.887 2.495 -11.827 1.00 0.00 O ATOM 0 H SER A 25 -15.453 3.809 -9.442 1.00 0.00 H new ATOM 0 HA SER A 25 -18.189 4.654 -9.611 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.831 2.977 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.871 4.294 -12.000 1.00 0.00 H new ATOM 0 HG SER A 25 -17.130 2.224 -12.737 1.00 0.00 H new ATOM 281 N ALA A 26 -18.765 2.638 -8.263 1.00 0.00 N ATOM 282 CA ALA A 26 -19.025 1.564 -7.312 1.00 0.00 C ATOM 283 C ALA A 26 -18.999 0.203 -8.000 1.00 0.00 C ATOM 284 O ALA A 26 -18.586 -0.794 -7.409 1.00 0.00 O ATOM 285 CB ALA A 26 -20.362 1.783 -6.620 1.00 0.00 C ATOM 0 H ALA A 26 -19.517 3.323 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.234 1.578 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.543 0.973 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.344 2.733 -6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.158 1.799 -7.364 1.00 0.00 H new ATOM 291 N GLY A 27 -19.443 0.170 -9.253 1.00 0.00 N ATOM 292 CA GLY A 27 -19.463 -1.074 -10.000 1.00 0.00 C ATOM 293 C GLY A 27 -18.082 -1.682 -10.149 1.00 0.00 C ATOM 294 O GLY A 27 -17.920 -2.898 -10.052 1.00 0.00 O ATOM 0 H GLY A 27 -19.789 0.982 -9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.118 -1.786 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.886 -0.894 -10.988 1.00 0.00 H new ATOM 298 N GLN A 28 -17.087 -0.835 -10.389 1.00 0.00 N ATOM 299 CA GLN A 28 -15.714 -1.297 -10.555 1.00 0.00 C ATOM 300 C GLN A 28 -15.190 -1.922 -9.266 1.00 0.00 C ATOM 301 O GLN A 28 -14.689 -3.047 -9.268 1.00 0.00 O ATOM 302 CB GLN A 28 -14.810 -0.138 -10.977 1.00 0.00 C ATOM 303 CG GLN A 28 -13.410 -0.573 -11.381 1.00 0.00 C ATOM 304 CD GLN A 28 -12.420 0.575 -11.381 1.00 0.00 C ATOM 305 OE1 GLN A 28 -12.805 1.743 -11.447 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.135 0.248 -11.308 1.00 0.00 N ATOM 0 H GLN A 28 -17.206 0.175 -10.473 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.706 -2.057 -11.336 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.273 0.387 -11.812 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.737 0.573 -10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.063 -1.347 -10.697 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.445 -1.018 -12.375 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.861 -0.733 -11.255 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.422 0.978 -11.305 1.00 0.00 H new ATOM 315 N PHE A 29 -15.310 -1.186 -8.166 1.00 0.00 N ATOM 316 CA PHE A 29 -14.847 -1.668 -6.870 1.00 0.00 C ATOM 317 C PHE A 29 -15.466 -3.023 -6.541 1.00 0.00 C ATOM 318 O PHE A 29 -14.759 -4.018 -6.386 1.00 0.00 O ATOM 319 CB PHE A 29 -15.192 -0.657 -5.774 1.00 0.00 C ATOM 320 CG PHE A 29 -14.980 -1.185 -4.384 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.705 -1.482 -3.929 1.00 0.00 C ATOM 322 CD2 PHE A 29 -16.054 -1.384 -3.532 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.506 -1.967 -2.650 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.861 -1.869 -2.252 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.585 -2.161 -1.811 1.00 0.00 C ATOM 0 H PHE A 29 -15.724 -0.254 -8.146 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.764 -1.785 -6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.584 0.237 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.233 -0.355 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.857 -1.333 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.054 -1.158 -3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.507 -2.194 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.707 -2.019 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.432 -2.540 -0.812 1.00 0.00 H new ATOM 335 N GLU A 30 -16.791 -3.052 -6.436 1.00 0.00 N ATOM 336 CA GLU A 30 -17.505 -4.285 -6.124 1.00 0.00 C ATOM 337 C GLU A 30 -17.059 -5.419 -7.041 1.00 0.00 C ATOM 338 O GLU A 30 -16.951 -6.569 -6.616 1.00 0.00 O ATOM 339 CB GLU A 30 -19.015 -4.073 -6.254 1.00 0.00 C ATOM 340 CG GLU A 30 -19.585 -3.110 -5.226 1.00 0.00 C ATOM 341 CD GLU A 30 -21.088 -3.247 -5.070 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.621 -4.330 -5.390 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.730 -2.271 -4.629 1.00 0.00 O ATOM 0 H GLU A 30 -17.391 -2.237 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.271 -4.560 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.236 -3.697 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.518 -5.035 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.106 -3.286 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.345 -2.088 -5.519 1.00 0.00 H new ATOM 350 N GLU A 31 -16.801 -5.087 -8.302 1.00 0.00 N ATOM 351 CA GLU A 31 -16.368 -6.078 -9.280 1.00 0.00 C ATOM 352 C GLU A 31 -14.989 -6.626 -8.924 1.00 0.00 C ATOM 353 O GLU A 31 -14.812 -7.834 -8.763 1.00 0.00 O ATOM 354 CB GLU A 31 -16.339 -5.465 -10.682 1.00 0.00 C ATOM 355 CG GLU A 31 -16.119 -6.484 -11.787 1.00 0.00 C ATOM 356 CD GLU A 31 -16.182 -5.867 -13.171 1.00 0.00 C ATOM 357 OE1 GLU A 31 -15.499 -4.846 -13.398 1.00 0.00 O ATOM 358 OE2 GLU A 31 -16.915 -6.405 -14.027 1.00 0.00 O ATOM 0 H GLU A 31 -16.884 -4.139 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.082 -6.901 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.280 -4.944 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.547 -4.717 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.148 -6.960 -11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.872 -7.268 -11.708 1.00 0.00 H new ATOM 365 N LEU A 32 -14.016 -5.730 -8.805 1.00 0.00 N ATOM 366 CA LEU A 32 -12.651 -6.124 -8.468 1.00 0.00 C ATOM 367 C LEU A 32 -12.631 -7.019 -7.234 1.00 0.00 C ATOM 368 O LEU A 32 -11.942 -8.040 -7.206 1.00 0.00 O ATOM 369 CB LEU A 32 -11.787 -4.884 -8.228 1.00 0.00 C ATOM 370 CG LEU A 32 -10.281 -5.069 -8.416 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.923 -5.063 -9.894 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.514 -3.985 -7.674 1.00 0.00 C ATOM 0 H LEU A 32 -14.145 -4.727 -8.936 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.243 -6.687 -9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.123 -4.096 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.966 -4.532 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.998 -6.036 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.847 -5.196 -10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.445 -5.877 -10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.220 -4.112 -10.336 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.444 -4.132 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.801 -3.007 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.747 -4.038 -6.610 1.00 0.00 H new ATOM 384 N LEU A 33 -13.393 -6.633 -6.217 1.00 0.00 N ATOM 385 CA LEU A 33 -13.465 -7.402 -4.979 1.00 0.00 C ATOM 386 C LEU A 33 -13.370 -8.898 -5.262 1.00 0.00 C ATOM 387 O LEU A 33 -12.706 -9.636 -4.534 1.00 0.00 O ATOM 388 CB LEU A 33 -14.767 -7.093 -4.238 1.00 0.00 C ATOM 389 CG LEU A 33 -14.766 -5.826 -3.381 1.00 0.00 C ATOM 390 CD1 LEU A 33 -16.130 -5.614 -2.742 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.683 -5.904 -2.315 1.00 0.00 C ATOM 0 H LEU A 33 -13.970 -5.792 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.621 -7.115 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.569 -7.011 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.007 -7.941 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.552 -4.974 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.111 -4.708 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.885 -5.513 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.372 -6.468 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.697 -4.994 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.866 -6.765 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.709 -6.008 -2.793 1.00 0.00 H new ATOM 403 N ARG A 34 -14.037 -9.337 -6.324 1.00 0.00 N ATOM 404 CA ARG A 34 -14.027 -10.745 -6.703 1.00 0.00 C ATOM 405 C ARG A 34 -12.715 -11.114 -7.389 1.00 0.00 C ATOM 406 O ARG A 34 -12.146 -12.176 -7.133 1.00 0.00 O ATOM 407 CB ARG A 34 -15.204 -11.053 -7.631 1.00 0.00 C ATOM 408 CG ARG A 34 -14.880 -10.877 -9.105 1.00 0.00 C ATOM 409 CD ARG A 34 -16.139 -10.880 -9.957 1.00 0.00 C ATOM 410 NE ARG A 34 -17.104 -9.877 -9.512 1.00 0.00 N ATOM 411 CZ ARG A 34 -18.391 -9.900 -9.839 1.00 0.00 C ATOM 412 NH1 ARG A 34 -18.866 -10.869 -10.609 1.00 0.00 N ATOM 413 NH2 ARG A 34 -19.206 -8.952 -9.394 1.00 0.00 N ATOM 0 H ARG A 34 -14.591 -8.739 -6.937 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.123 -11.341 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.532 -12.078 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.040 -10.403 -7.371 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.343 -9.940 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.217 -11.678 -9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.873 -10.691 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.599 -11.867 -9.920 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.771 -9.118 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.243 -11.600 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.855 -10.884 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.844 -8.205 -8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.194 -8.970 -9.645 1.00 0.00 H new ATOM 427 N LEU A 35 -12.240 -10.232 -8.261 1.00 0.00 N ATOM 428 CA LEU A 35 -10.995 -10.465 -8.984 1.00 0.00 C ATOM 429 C LEU A 35 -9.811 -10.525 -8.025 1.00 0.00 C ATOM 430 O LEU A 35 -9.069 -11.507 -7.998 1.00 0.00 O ATOM 431 CB LEU A 35 -10.771 -9.362 -10.020 1.00 0.00 C ATOM 432 CG LEU A 35 -11.608 -9.459 -11.296 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.602 -8.133 -12.041 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.091 -10.577 -12.190 1.00 0.00 C ATOM 0 H LEU A 35 -12.698 -9.349 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.074 -11.425 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.975 -8.401 -9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.717 -9.362 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.636 -9.690 -11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.203 -8.222 -12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.020 -7.355 -11.402 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.579 -7.871 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.699 -10.631 -13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.055 -10.376 -12.461 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.149 -11.526 -11.656 1.00 0.00 H new ATOM 446 N LYS A 36 -9.641 -9.470 -7.235 1.00 0.00 N ATOM 447 CA LYS A 36 -8.550 -9.403 -6.271 1.00 0.00 C ATOM 448 C LYS A 36 -9.016 -9.855 -4.890 1.00 0.00 C ATOM 449 O LYS A 36 -8.630 -9.277 -3.875 1.00 0.00 O ATOM 450 CB LYS A 36 -7.997 -7.978 -6.193 1.00 0.00 C ATOM 451 CG LYS A 36 -7.559 -7.421 -7.536 1.00 0.00 C ATOM 452 CD LYS A 36 -6.269 -8.068 -8.013 1.00 0.00 C ATOM 453 CE LYS A 36 -5.817 -7.492 -9.346 1.00 0.00 C ATOM 454 NZ LYS A 36 -4.571 -8.143 -9.838 1.00 0.00 N ATOM 0 H LYS A 36 -10.246 -8.649 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.760 -10.075 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.759 -7.324 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.148 -7.964 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.345 -7.586 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.419 -6.343 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.488 -7.919 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.415 -9.144 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.609 -7.619 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.649 -6.420 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.296 -7.723 -10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.808 -8.000 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.738 -9.162 -9.963 1.00 0.00 H new ATOM 468 N ALA A 37 -9.846 -10.893 -4.862 1.00 0.00 N ATOM 469 CA ALA A 37 -10.361 -11.424 -3.606 1.00 0.00 C ATOM 470 C ALA A 37 -9.291 -12.223 -2.869 1.00 0.00 C ATOM 471 O ALA A 37 -9.091 -12.050 -1.666 1.00 0.00 O ATOM 472 CB ALA A 37 -11.586 -12.289 -3.862 1.00 0.00 C ATOM 0 H ALA A 37 -10.176 -11.382 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.649 -10.583 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.960 -12.679 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.361 -11.690 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.315 -13.119 -4.515 1.00 0.00 H new ATOM 478 N LYS A 38 -8.607 -13.100 -3.596 1.00 0.00 N ATOM 479 CA LYS A 38 -7.558 -13.926 -3.013 1.00 0.00 C ATOM 480 C LYS A 38 -6.385 -13.068 -2.547 1.00 0.00 C ATOM 481 O LYS A 38 -5.809 -13.311 -1.487 1.00 0.00 O ATOM 482 CB LYS A 38 -7.072 -14.963 -4.028 1.00 0.00 C ATOM 483 CG LYS A 38 -7.954 -16.198 -4.105 1.00 0.00 C ATOM 484 CD LYS A 38 -9.266 -15.902 -4.812 1.00 0.00 C ATOM 485 CE LYS A 38 -10.260 -17.041 -4.641 1.00 0.00 C ATOM 486 NZ LYS A 38 -10.106 -18.075 -5.702 1.00 0.00 N ATOM 0 H LYS A 38 -8.761 -13.257 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.976 -14.441 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.023 -14.500 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.058 -15.266 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.426 -16.991 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.156 -16.565 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.694 -14.981 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.080 -15.736 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.121 -17.501 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.275 -16.644 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.801 -18.834 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.264 -17.642 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.146 -18.472 -5.663 1.00 0.00 H new ATOM 500 N SER A 39 -6.040 -12.063 -3.345 1.00 0.00 N ATOM 501 CA SER A 39 -4.935 -11.170 -3.015 1.00 0.00 C ATOM 502 C SER A 39 -5.373 -10.113 -2.007 1.00 0.00 C ATOM 503 O SER A 39 -6.549 -10.027 -1.651 1.00 0.00 O ATOM 504 CB SER A 39 -4.402 -10.495 -4.280 1.00 0.00 C ATOM 505 OG SER A 39 -5.292 -9.491 -4.736 1.00 0.00 O ATOM 0 H SER A 39 -6.509 -11.846 -4.224 1.00 0.00 H new ATOM 0 HA SER A 39 -4.140 -11.766 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.426 -10.055 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.259 -11.241 -5.062 1.00 0.00 H new ATOM 0 HG SER A 39 -4.860 -8.968 -5.443 1.00 0.00 H new ATOM 511 N LEU A 40 -4.420 -9.309 -1.550 1.00 0.00 N ATOM 512 CA LEU A 40 -4.706 -8.255 -0.582 1.00 0.00 C ATOM 513 C LEU A 40 -5.020 -6.939 -1.287 1.00 0.00 C ATOM 514 O LEU A 40 -4.185 -6.397 -2.012 1.00 0.00 O ATOM 515 CB LEU A 40 -3.518 -8.070 0.365 1.00 0.00 C ATOM 516 CG LEU A 40 -3.642 -6.934 1.381 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.755 -7.226 2.375 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.321 -6.720 2.105 1.00 0.00 C ATOM 0 H LEU A 40 -3.442 -9.366 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.581 -8.553 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.364 -9.002 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.624 -7.899 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.892 -6.019 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.828 -6.407 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.701 -7.329 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.535 -8.152 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.428 -5.908 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.041 -7.634 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.547 -6.465 1.382 1.00 0.00 H new ATOM 530 N LEU A 41 -6.227 -6.430 -1.067 1.00 0.00 N ATOM 531 CA LEU A 41 -6.651 -5.176 -1.678 1.00 0.00 C ATOM 532 C LEU A 41 -6.494 -4.014 -0.703 1.00 0.00 C ATOM 533 O LEU A 41 -6.639 -4.182 0.508 1.00 0.00 O ATOM 534 CB LEU A 41 -8.106 -5.277 -2.139 1.00 0.00 C ATOM 535 CG LEU A 41 -8.539 -4.282 -3.217 1.00 0.00 C ATOM 536 CD1 LEU A 41 -7.853 -4.594 -4.538 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.052 -4.300 -3.382 1.00 0.00 C ATOM 0 H LEU A 41 -6.929 -6.867 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.014 -4.989 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.278 -6.286 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.751 -5.145 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.239 -3.282 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.173 -3.876 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.772 -4.529 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.121 -5.601 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.342 -3.586 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.374 -5.300 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.524 -4.027 -2.438 1.00 0.00 H new ATOM 549 N VAL A 42 -6.199 -2.833 -1.239 1.00 0.00 N ATOM 550 CA VAL A 42 -6.026 -1.642 -0.416 1.00 0.00 C ATOM 551 C VAL A 42 -6.814 -0.465 -0.981 1.00 0.00 C ATOM 552 O VAL A 42 -6.449 0.104 -2.009 1.00 0.00 O ATOM 553 CB VAL A 42 -4.542 -1.247 -0.306 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.390 0.047 0.479 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.738 -2.367 0.337 1.00 0.00 C ATOM 0 H VAL A 42 -6.075 -2.676 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.404 -1.885 0.577 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.153 -1.082 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.334 0.310 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.931 0.846 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.795 -0.086 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.692 -2.070 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.126 -2.566 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.820 -3.269 -0.270 1.00 0.00 H new ATOM 565 N VAL A 43 -7.897 -0.105 -0.300 1.00 0.00 N ATOM 566 CA VAL A 43 -8.737 1.006 -0.732 1.00 0.00 C ATOM 567 C VAL A 43 -8.392 2.283 0.025 1.00 0.00 C ATOM 568 O VAL A 43 -8.806 2.470 1.170 1.00 0.00 O ATOM 569 CB VAL A 43 -10.231 0.691 -0.532 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.089 1.865 -0.980 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.614 -0.576 -1.282 1.00 0.00 C ATOM 0 H VAL A 43 -8.213 -0.566 0.553 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.544 1.154 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.410 0.525 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.142 1.624 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.832 2.748 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.908 2.065 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.673 -0.783 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.420 -0.441 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.023 -1.412 -0.909 1.00 0.00 H new ATOM 581 N HIS A 44 -7.631 3.161 -0.621 1.00 0.00 N ATOM 582 CA HIS A 44 -7.230 4.423 -0.008 1.00 0.00 C ATOM 583 C HIS A 44 -8.175 5.549 -0.416 1.00 0.00 C ATOM 584 O HIS A 44 -8.441 5.752 -1.601 1.00 0.00 O ATOM 585 CB HIS A 44 -5.797 4.775 -0.406 1.00 0.00 C ATOM 586 CG HIS A 44 -5.460 6.222 -0.215 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.620 7.034 0.857 1.00 0.00 N flip ATOM 588 CD2 HIS A 44 -4.888 6.998 -1.200 1.00 0.00 C flip ATOM 589 CE1 HIS A 44 -5.145 8.273 0.503 1.00 0.00 C flip ATOM 590 NE2 HIS A 44 -4.709 8.225 -0.743 1.00 0.00 N flip ATOM 0 H HIS A 44 -7.280 3.022 -1.568 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.280 4.305 1.074 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.107 4.169 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.644 4.510 -1.452 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.627 6.657 -2.191 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.130 9.145 1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.303 9.003 -1.264 1.00 0.00 H new ATOM 599 N PHE A 45 -8.681 6.278 0.573 1.00 0.00 N ATOM 600 CA PHE A 45 -9.598 7.383 0.318 1.00 0.00 C ATOM 601 C PHE A 45 -8.834 8.689 0.119 1.00 0.00 C ATOM 602 O PHE A 45 -8.225 9.212 1.053 1.00 0.00 O ATOM 603 CB PHE A 45 -10.589 7.529 1.474 1.00 0.00 C ATOM 604 CG PHE A 45 -11.816 6.676 1.324 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.810 5.353 1.735 1.00 0.00 C ATOM 606 CD2 PHE A 45 -12.974 7.196 0.771 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.938 4.565 1.599 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.105 6.413 0.632 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.086 5.096 1.045 1.00 0.00 C ATOM 0 H PHE A 45 -8.471 6.123 1.559 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.148 7.162 -0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.088 7.269 2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.890 8.574 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.914 4.932 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.994 8.225 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.921 3.536 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.002 6.831 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.968 4.482 0.935 1.00 0.00 H new ATOM 619 N TRP A 46 -8.871 9.209 -1.102 1.00 0.00 N ATOM 620 CA TRP A 46 -8.182 10.454 -1.424 1.00 0.00 C ATOM 621 C TRP A 46 -9.165 11.505 -1.928 1.00 0.00 C ATOM 622 O TRP A 46 -10.054 11.205 -2.725 1.00 0.00 O ATOM 623 CB TRP A 46 -7.099 10.204 -2.475 1.00 0.00 C ATOM 624 CG TRP A 46 -7.630 10.161 -3.876 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.127 9.071 -4.531 1.00 0.00 C ATOM 626 CD2 TRP A 46 -7.714 11.256 -4.794 1.00 0.00 C ATOM 627 NE1 TRP A 46 -8.515 9.422 -5.802 1.00 0.00 N ATOM 628 CE2 TRP A 46 -8.273 10.757 -5.987 1.00 0.00 C ATOM 629 CE3 TRP A 46 -7.374 12.610 -4.724 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -8.497 11.566 -7.099 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -7.596 13.410 -5.828 1.00 0.00 C ATOM 632 CH2 TRP A 46 -8.154 12.887 -7.002 1.00 0.00 C ATOM 0 H TRP A 46 -9.370 8.788 -1.886 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.715 10.828 -0.513 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.345 10.988 -2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.599 9.261 -2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.204 8.079 -4.112 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.918 8.791 -6.495 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.945 13.023 -3.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.926 11.165 -8.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -7.335 14.457 -5.785 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -8.317 13.540 -7.847 1.00 0.00 H new ATOM 643 N ALA A 47 -8.999 12.737 -1.460 1.00 0.00 N ATOM 644 CA ALA A 47 -9.870 13.833 -1.866 1.00 0.00 C ATOM 645 C ALA A 47 -9.058 15.049 -2.298 1.00 0.00 C ATOM 646 O ALA A 47 -8.015 15.365 -1.725 1.00 0.00 O ATOM 647 CB ALA A 47 -10.815 14.203 -0.733 1.00 0.00 C ATOM 0 H ALA A 47 -8.269 13.002 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.458 13.499 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.460 15.023 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.427 13.339 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.236 14.512 0.137 1.00 0.00 H new ATOM 653 N PRO A 48 -9.544 15.748 -3.334 1.00 0.00 N ATOM 654 CA PRO A 48 -8.878 16.941 -3.866 1.00 0.00 C ATOM 655 C PRO A 48 -8.953 18.123 -2.907 1.00 0.00 C ATOM 656 O PRO A 48 -8.373 19.179 -3.161 1.00 0.00 O ATOM 657 CB PRO A 48 -9.659 17.242 -5.147 1.00 0.00 C ATOM 658 CG PRO A 48 -11.006 16.647 -4.918 1.00 0.00 C ATOM 659 CD PRO A 48 -10.781 15.429 -4.066 1.00 0.00 C ATOM 0 HA PRO A 48 -7.813 16.774 -4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.726 18.315 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.175 16.802 -6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.666 17.356 -4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.481 16.380 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.616 15.254 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.669 14.530 -4.672 1.00 0.00 H new ATOM 667 N TRP A 49 -9.669 17.940 -1.804 1.00 0.00 N ATOM 668 CA TRP A 49 -9.819 18.992 -0.805 1.00 0.00 C ATOM 669 C TRP A 49 -9.021 18.667 0.453 1.00 0.00 C ATOM 670 O TRP A 49 -9.119 19.368 1.459 1.00 0.00 O ATOM 671 CB TRP A 49 -11.295 19.183 -0.453 1.00 0.00 C ATOM 672 CG TRP A 49 -12.009 17.897 -0.168 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.778 17.176 -1.037 1.00 0.00 C ATOM 674 CD2 TRP A 49 -12.022 17.180 1.071 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.267 16.055 -0.413 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.817 16.033 0.881 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.436 17.394 2.322 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -13.042 15.107 1.896 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.661 16.474 3.328 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.457 15.341 3.110 1.00 0.00 C ATOM 0 H TRP A 49 -10.155 17.072 -1.578 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.431 19.918 -1.229 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.372 19.834 0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.795 19.693 -1.277 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.973 17.448 -2.064 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.868 15.352 -0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.819 18.262 2.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.657 14.235 1.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -11.216 16.631 4.299 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.611 14.639 3.916 1.00 0.00 H new ATOM 691 N ALA A 50 -8.232 17.600 0.388 1.00 0.00 N ATOM 692 CA ALA A 50 -7.415 17.184 1.522 1.00 0.00 C ATOM 693 C ALA A 50 -5.941 17.115 1.141 1.00 0.00 C ATOM 694 O ALA A 50 -5.547 16.411 0.210 1.00 0.00 O ATOM 695 CB ALA A 50 -7.890 15.837 2.048 1.00 0.00 C ATOM 0 H ALA A 50 -8.141 17.008 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.525 17.929 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.272 15.538 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.929 15.917 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.810 15.090 1.259 1.00 0.00 H new ATOM 701 N PRO A 51 -5.103 17.862 1.876 1.00 0.00 N ATOM 702 CA PRO A 51 -3.658 17.902 1.633 1.00 0.00 C ATOM 703 C PRO A 51 -2.971 16.592 2.003 1.00 0.00 C ATOM 704 O PRO A 51 -2.030 16.165 1.336 1.00 0.00 O ATOM 705 CB PRO A 51 -3.177 19.035 2.543 1.00 0.00 C ATOM 706 CG PRO A 51 -4.191 19.102 3.632 1.00 0.00 C ATOM 707 CD PRO A 51 -5.503 18.724 3.000 1.00 0.00 C ATOM 0 HA PRO A 51 -3.426 18.056 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.183 18.829 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.115 19.979 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.938 18.420 4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.238 20.103 4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.150 18.196 3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.052 19.601 2.658 1.00 0.00 H new ATOM 715 N GLN A 52 -3.449 15.960 3.071 1.00 0.00 N ATOM 716 CA GLN A 52 -2.879 14.699 3.529 1.00 0.00 C ATOM 717 C GLN A 52 -2.961 13.636 2.438 1.00 0.00 C ATOM 718 O GLN A 52 -1.978 12.953 2.149 1.00 0.00 O ATOM 719 CB GLN A 52 -3.605 14.214 4.785 1.00 0.00 C ATOM 720 CG GLN A 52 -3.309 15.050 6.020 1.00 0.00 C ATOM 721 CD GLN A 52 -4.056 14.565 7.246 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.830 13.610 7.178 1.00 0.00 O ATOM 723 NE2 GLN A 52 -3.827 15.222 8.378 1.00 0.00 N ATOM 0 H GLN A 52 -4.228 16.301 3.634 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.829 14.869 3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.679 14.222 4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.323 13.179 4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.238 15.029 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.576 16.088 5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.177 16.008 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.301 14.940 9.236 1.00 0.00 H new ATOM 732 N CYS A 53 -4.137 13.502 1.837 1.00 0.00 N ATOM 733 CA CYS A 53 -4.348 12.521 0.778 1.00 0.00 C ATOM 734 C CYS A 53 -3.301 12.674 -0.321 1.00 0.00 C ATOM 735 O CYS A 53 -3.117 11.780 -1.145 1.00 0.00 O ATOM 736 CB CYS A 53 -5.750 12.671 0.187 1.00 0.00 C ATOM 737 SG CYS A 53 -7.081 12.556 1.405 1.00 0.00 S ATOM 0 H CYS A 53 -4.960 14.060 2.065 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.250 11.526 1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.818 13.634 -0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.898 11.901 -0.570 1.00 0.00 H new ATOM 0 HG CYS A 53 -7.171 11.332 1.835 1.00 0.00 H new ATOM 743 N ALA A 54 -2.618 13.814 -0.326 1.00 0.00 N ATOM 744 CA ALA A 54 -1.589 14.084 -1.322 1.00 0.00 C ATOM 745 C ALA A 54 -0.427 13.106 -1.190 1.00 0.00 C ATOM 746 O ALA A 54 -0.170 12.309 -2.092 1.00 0.00 O ATOM 747 CB ALA A 54 -1.093 15.517 -1.194 1.00 0.00 C ATOM 0 H ALA A 54 -2.759 14.566 0.349 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.031 13.951 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.325 15.704 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.925 16.205 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.674 15.669 -0.199 1.00 0.00 H new ATOM 753 N GLN A 55 0.272 13.173 -0.062 1.00 0.00 N ATOM 754 CA GLN A 55 1.408 12.293 0.186 1.00 0.00 C ATOM 755 C GLN A 55 0.969 10.833 0.217 1.00 0.00 C ATOM 756 O GLN A 55 1.649 9.959 -0.319 1.00 0.00 O ATOM 757 CB GLN A 55 2.087 12.662 1.506 1.00 0.00 C ATOM 758 CG GLN A 55 1.205 12.449 2.725 1.00 0.00 C ATOM 759 CD GLN A 55 1.581 13.352 3.883 1.00 0.00 C ATOM 760 OE1 GLN A 55 1.743 12.894 5.015 1.00 0.00 O ATOM 761 NE2 GLN A 55 1.721 14.643 3.606 1.00 0.00 N ATOM 0 H GLN A 55 0.072 13.827 0.695 1.00 0.00 H new ATOM 0 HA GLN A 55 2.120 12.422 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.994 12.068 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.393 13.707 1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.165 12.629 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.276 11.409 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.577 14.979 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.972 15.299 4.346 1.00 0.00 H new ATOM 770 N MET A 56 -0.172 10.576 0.849 1.00 0.00 N ATOM 771 CA MET A 56 -0.702 9.221 0.949 1.00 0.00 C ATOM 772 C MET A 56 -0.767 8.560 -0.424 1.00 0.00 C ATOM 773 O MET A 56 -0.366 7.409 -0.588 1.00 0.00 O ATOM 774 CB MET A 56 -2.093 9.241 1.586 1.00 0.00 C ATOM 775 CG MET A 56 -2.120 9.870 2.969 1.00 0.00 C ATOM 776 SD MET A 56 -1.768 8.682 4.280 1.00 0.00 S ATOM 777 CE MET A 56 0.021 8.743 4.321 1.00 0.00 C ATOM 0 H MET A 56 -0.747 11.288 1.299 1.00 0.00 H new ATOM 0 HA MET A 56 -0.030 8.640 1.580 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.774 9.788 0.934 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.467 8.220 1.653 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.390 10.678 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.099 10.316 3.142 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.424 7.762 4.070 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.377 9.477 3.598 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.353 9.027 5.320 1.00 0.00 H new ATOM 787 N ASN A 57 -1.276 9.297 -1.406 1.00 0.00 N ATOM 788 CA ASN A 57 -1.394 8.780 -2.765 1.00 0.00 C ATOM 789 C ASN A 57 -0.029 8.378 -3.315 1.00 0.00 C ATOM 790 O ASN A 57 0.121 7.311 -3.909 1.00 0.00 O ATOM 791 CB ASN A 57 -2.035 9.829 -3.677 1.00 0.00 C ATOM 792 CG ASN A 57 -1.941 9.454 -5.144 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.902 8.275 -5.493 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.905 10.460 -6.010 1.00 0.00 N ATOM 0 H ASN A 57 -1.613 10.252 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.029 7.895 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.083 9.954 -3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.548 10.791 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.843 10.270 -7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.940 11.423 -5.675 1.00 0.00 H new ATOM 801 N GLU A 58 0.962 9.240 -3.112 1.00 0.00 N ATOM 802 CA GLU A 58 2.314 8.974 -3.588 1.00 0.00 C ATOM 803 C GLU A 58 2.915 7.767 -2.873 1.00 0.00 C ATOM 804 O GLU A 58 3.469 6.868 -3.506 1.00 0.00 O ATOM 805 CB GLU A 58 3.204 10.201 -3.377 1.00 0.00 C ATOM 806 CG GLU A 58 2.801 11.397 -4.222 1.00 0.00 C ATOM 807 CD GLU A 58 3.905 12.431 -4.333 1.00 0.00 C ATOM 808 OE1 GLU A 58 4.793 12.262 -5.193 1.00 0.00 O ATOM 809 OE2 GLU A 58 3.879 13.411 -3.558 1.00 0.00 O ATOM 0 H GLU A 58 0.854 10.128 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 58 2.259 8.753 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.175 10.484 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.236 9.935 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.526 11.056 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.915 11.862 -3.789 1.00 0.00 H new ATOM 816 N VAL A 59 2.802 7.755 -1.549 1.00 0.00 N ATOM 817 CA VAL A 59 3.333 6.659 -0.746 1.00 0.00 C ATOM 818 C VAL A 59 2.900 5.309 -1.305 1.00 0.00 C ATOM 819 O VAL A 59 3.720 4.410 -1.488 1.00 0.00 O ATOM 820 CB VAL A 59 2.876 6.766 0.721 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.303 5.534 1.504 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.428 8.031 1.360 1.00 0.00 C ATOM 0 H VAL A 59 2.348 8.492 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 59 4.420 6.734 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 59 1.788 6.821 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.972 5.627 2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.855 4.646 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.389 5.445 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.095 8.090 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.517 8.009 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.068 8.902 0.813 1.00 0.00 H new ATOM 832 N MET A 60 1.605 5.173 -1.573 1.00 0.00 N ATOM 833 CA MET A 60 1.063 3.932 -2.113 1.00 0.00 C ATOM 834 C MET A 60 1.721 3.585 -3.445 1.00 0.00 C ATOM 835 O MET A 60 2.040 2.425 -3.707 1.00 0.00 O ATOM 836 CB MET A 60 -0.452 4.048 -2.295 1.00 0.00 C ATOM 837 CG MET A 60 -1.211 4.195 -0.987 1.00 0.00 C ATOM 838 SD MET A 60 -2.868 3.488 -1.062 1.00 0.00 S ATOM 839 CE MET A 60 -3.365 3.966 -2.715 1.00 0.00 C ATOM 0 H MET A 60 0.912 5.907 -1.425 1.00 0.00 H new ATOM 0 HA MET A 60 1.277 3.133 -1.403 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.669 4.907 -2.930 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.816 3.164 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.649 3.710 -0.189 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.282 5.252 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.431 3.776 -2.844 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.165 5.027 -2.862 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.802 3.386 -3.446 1.00 0.00 H new ATOM 849 N ALA A 61 1.921 4.597 -4.283 1.00 0.00 N ATOM 850 CA ALA A 61 2.543 4.398 -5.586 1.00 0.00 C ATOM 851 C ALA A 61 3.753 3.475 -5.482 1.00 0.00 C ATOM 852 O ALA A 61 3.876 2.513 -6.239 1.00 0.00 O ATOM 853 CB ALA A 61 2.948 5.736 -6.187 1.00 0.00 C ATOM 0 H ALA A 61 1.661 5.563 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 61 1.812 3.924 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.411 5.573 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.065 6.363 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.659 6.232 -5.526 1.00 0.00 H new ATOM 859 N GLU A 62 4.642 3.776 -4.542 1.00 0.00 N ATOM 860 CA GLU A 62 5.843 2.973 -4.341 1.00 0.00 C ATOM 861 C GLU A 62 5.487 1.584 -3.820 1.00 0.00 C ATOM 862 O GLU A 62 5.985 0.574 -4.320 1.00 0.00 O ATOM 863 CB GLU A 62 6.792 3.669 -3.364 1.00 0.00 C ATOM 864 CG GLU A 62 7.474 4.895 -3.947 1.00 0.00 C ATOM 865 CD GLU A 62 8.298 4.574 -5.178 1.00 0.00 C ATOM 866 OE1 GLU A 62 7.702 4.379 -6.258 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.541 4.518 -5.062 1.00 0.00 O ATOM 0 H GLU A 62 4.554 4.570 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 62 6.342 2.864 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.234 3.963 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.553 2.959 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.719 5.638 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.118 5.342 -3.190 1.00 0.00 H new ATOM 874 N LEU A 63 4.624 1.540 -2.811 1.00 0.00 N ATOM 875 CA LEU A 63 4.201 0.275 -2.220 1.00 0.00 C ATOM 876 C LEU A 63 3.681 -0.679 -3.290 1.00 0.00 C ATOM 877 O LEU A 63 3.995 -1.869 -3.281 1.00 0.00 O ATOM 878 CB LEU A 63 3.117 0.519 -1.168 1.00 0.00 C ATOM 879 CG LEU A 63 3.609 0.957 0.212 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.508 1.691 0.962 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.093 -0.243 1.012 1.00 0.00 C ATOM 0 H LEU A 63 4.203 2.366 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 63 5.067 -0.182 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.435 1.280 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.539 -0.398 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 63 4.448 1.640 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.876 1.995 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.209 2.574 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.649 1.031 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.439 0.088 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.274 -0.951 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.913 -0.727 0.482 1.00 0.00 H new ATOM 893 N ALA A 64 2.885 -0.148 -4.213 1.00 0.00 N ATOM 894 CA ALA A 64 2.325 -0.952 -5.292 1.00 0.00 C ATOM 895 C ALA A 64 3.424 -1.662 -6.075 1.00 0.00 C ATOM 896 O ALA A 64 3.260 -2.806 -6.499 1.00 0.00 O ATOM 897 CB ALA A 64 1.491 -0.081 -6.221 1.00 0.00 C ATOM 0 H ALA A 64 2.614 0.835 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 64 1.682 -1.712 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.079 -0.694 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.677 0.376 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.119 0.700 -6.649 1.00 0.00 H new ATOM 903 N LYS A 65 4.546 -0.976 -6.265 1.00 0.00 N ATOM 904 CA LYS A 65 5.674 -1.540 -6.997 1.00 0.00 C ATOM 905 C LYS A 65 6.376 -2.613 -6.172 1.00 0.00 C ATOM 906 O LYS A 65 6.739 -3.669 -6.690 1.00 0.00 O ATOM 907 CB LYS A 65 6.668 -0.438 -7.372 1.00 0.00 C ATOM 908 CG LYS A 65 6.021 0.764 -8.037 1.00 0.00 C ATOM 909 CD LYS A 65 7.001 1.497 -8.939 1.00 0.00 C ATOM 910 CE LYS A 65 6.309 2.583 -9.747 1.00 0.00 C ATOM 911 NZ LYS A 65 5.446 2.012 -10.819 1.00 0.00 N ATOM 0 H LYS A 65 4.698 -0.028 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 65 5.290 -2.000 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.189 -0.109 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.421 -0.852 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.161 0.438 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.648 1.446 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.792 1.940 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.477 0.786 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.703 3.200 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.058 3.237 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.141 2.772 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.983 1.301 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.610 1.565 -10.391 1.00 0.00 H new ATOM 925 N GLU A 66 6.562 -2.336 -4.885 1.00 0.00 N ATOM 926 CA GLU A 66 7.220 -3.280 -3.988 1.00 0.00 C ATOM 927 C GLU A 66 6.385 -4.547 -3.824 1.00 0.00 C ATOM 928 O GLU A 66 6.916 -5.658 -3.825 1.00 0.00 O ATOM 929 CB GLU A 66 7.464 -2.635 -2.622 1.00 0.00 C ATOM 930 CG GLU A 66 7.886 -3.624 -1.549 1.00 0.00 C ATOM 931 CD GLU A 66 9.062 -4.482 -1.976 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.168 -3.928 -2.148 1.00 0.00 O ATOM 933 OE2 GLU A 66 8.876 -5.706 -2.138 1.00 0.00 O ATOM 0 H GLU A 66 6.267 -1.467 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 66 8.179 -3.553 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.234 -1.871 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.553 -2.129 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.149 -3.080 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.042 -4.268 -1.302 1.00 0.00 H new ATOM 940 N LEU A 67 5.076 -4.371 -3.681 1.00 0.00 N ATOM 941 CA LEU A 67 4.167 -5.499 -3.514 1.00 0.00 C ATOM 942 C LEU A 67 3.212 -5.608 -4.699 1.00 0.00 C ATOM 943 O LEU A 67 2.173 -4.950 -4.753 1.00 0.00 O ATOM 944 CB LEU A 67 3.371 -5.350 -2.216 1.00 0.00 C ATOM 945 CG LEU A 67 4.191 -5.083 -0.954 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.297 -4.574 0.166 1.00 0.00 C ATOM 947 CD2 LEU A 67 4.927 -6.342 -0.519 1.00 0.00 C ATOM 0 H LEU A 67 4.621 -3.458 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 67 4.763 -6.410 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.658 -4.535 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.791 -6.260 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 67 4.929 -4.314 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.898 -4.390 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.816 -3.647 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.535 -5.320 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.505 -6.133 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.205 -7.132 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.598 -6.664 -1.315 1.00 0.00 H new ATOM 959 N PRO A 68 3.570 -6.460 -5.671 1.00 0.00 N ATOM 960 CA PRO A 68 2.757 -6.678 -6.872 1.00 0.00 C ATOM 961 C PRO A 68 1.459 -7.417 -6.567 1.00 0.00 C ATOM 962 O PRO A 68 0.395 -7.053 -7.066 1.00 0.00 O ATOM 963 CB PRO A 68 3.663 -7.532 -7.763 1.00 0.00 C ATOM 964 CG PRO A 68 4.577 -8.229 -6.816 1.00 0.00 C ATOM 965 CD PRO A 68 4.795 -7.276 -5.673 1.00 0.00 C ATOM 0 HA PRO A 68 2.448 -5.739 -7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.083 -8.244 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.219 -6.915 -8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.138 -9.163 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.521 -8.481 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.927 -7.804 -4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.685 -6.665 -5.824 1.00 0.00 H new ATOM 973 N GLN A 69 1.555 -8.457 -5.744 1.00 0.00 N ATOM 974 CA GLN A 69 0.387 -9.247 -5.374 1.00 0.00 C ATOM 975 C GLN A 69 -0.689 -8.367 -4.747 1.00 0.00 C ATOM 976 O GLN A 69 -1.877 -8.685 -4.806 1.00 0.00 O ATOM 977 CB GLN A 69 0.785 -10.358 -4.400 1.00 0.00 C ATOM 978 CG GLN A 69 1.125 -9.853 -3.007 1.00 0.00 C ATOM 979 CD GLN A 69 2.595 -9.521 -2.848 1.00 0.00 C ATOM 980 OE1 GLN A 69 2.969 -8.299 -3.210 1.00 0.00 O flip ATOM 981 NE2 GLN A 69 3.388 -10.353 -2.407 1.00 0.00 N flip ATOM 0 H GLN A 69 2.429 -8.771 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.019 -9.696 -6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.032 -11.076 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.645 -10.893 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.531 -8.965 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.846 -10.609 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.058 -11.281 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.375 -10.115 -2.308 1.00 0.00 H new ATOM 990 N VAL A 70 -0.266 -7.259 -4.147 1.00 0.00 N ATOM 991 CA VAL A 70 -1.194 -6.333 -3.510 1.00 0.00 C ATOM 992 C VAL A 70 -1.767 -5.347 -4.522 1.00 0.00 C ATOM 993 O VAL A 70 -1.025 -4.666 -5.230 1.00 0.00 O ATOM 994 CB VAL A 70 -0.512 -5.547 -2.374 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.524 -4.681 -1.641 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.185 -6.498 -1.413 1.00 0.00 C ATOM 0 H VAL A 70 0.714 -6.981 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.003 -6.933 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 70 0.241 -4.891 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.024 -4.134 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.972 -3.975 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.303 -5.313 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.661 -5.926 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.547 -7.180 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.941 -7.070 -1.951 1.00 0.00 H new ATOM 1006 N SER A 71 -3.093 -5.275 -4.584 1.00 0.00 N ATOM 1007 CA SER A 71 -3.767 -4.374 -5.512 1.00 0.00 C ATOM 1008 C SER A 71 -4.213 -3.099 -4.804 1.00 0.00 C ATOM 1009 O SER A 71 -5.226 -3.085 -4.105 1.00 0.00 O ATOM 1010 CB SER A 71 -4.975 -5.069 -6.144 1.00 0.00 C ATOM 1011 OG SER A 71 -4.606 -5.757 -7.327 1.00 0.00 O ATOM 0 H SER A 71 -3.722 -5.830 -4.003 1.00 0.00 H new ATOM 0 HA SER A 71 -3.060 -4.105 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.409 -5.771 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.744 -4.331 -6.373 1.00 0.00 H new ATOM 0 HG SER A 71 -4.529 -5.118 -8.066 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.448 -2.028 -4.990 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.762 -0.747 -4.369 1.00 0.00 C ATOM 1019 C PHE A 72 -4.741 0.048 -5.227 1.00 0.00 C ATOM 1020 O PHE A 72 -4.421 0.449 -6.346 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.483 0.065 -4.150 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.533 -0.565 -3.172 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.698 -1.598 -3.565 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.475 -0.124 -1.860 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.177 -2.180 -2.666 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.603 -0.702 -0.957 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.225 -1.731 -1.361 1.00 0.00 C ATOM 0 H PHE A 72 -2.606 -2.022 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.229 -0.944 -3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.975 0.193 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.750 1.060 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.731 -1.953 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.119 0.681 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.822 -2.985 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.569 -0.350 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.909 -2.183 -0.658 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.939 0.271 -4.695 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.966 1.018 -5.410 1.00 0.00 C ATOM 1039 C VAL A 73 -7.334 2.297 -4.666 1.00 0.00 C ATOM 1040 O VAL A 73 -7.712 2.261 -3.495 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.237 0.172 -5.613 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.942 -1.030 -6.497 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.803 -0.269 -4.271 1.00 0.00 C ATOM 0 H VAL A 73 -6.222 -0.055 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.550 1.275 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.986 0.786 -6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.851 -1.616 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.586 -0.688 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.177 -1.648 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.701 -0.866 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.061 -0.867 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.054 0.609 -3.676 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.222 3.428 -5.355 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.545 4.721 -4.761 1.00 0.00 C ATOM 1055 C LYS A 74 -8.869 5.252 -5.301 1.00 0.00 C ATOM 1056 O LYS A 74 -9.045 5.396 -6.511 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.427 5.727 -5.043 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.200 5.986 -6.522 1.00 0.00 C ATOM 1059 CD LYS A 74 -4.781 6.457 -6.794 1.00 0.00 C ATOM 1060 CE LYS A 74 -4.721 7.373 -8.007 1.00 0.00 C ATOM 1061 NZ LYS A 74 -3.359 7.942 -8.206 1.00 0.00 N ATOM 0 H LYS A 74 -6.910 3.476 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.641 4.585 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.665 6.670 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.500 5.361 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.396 5.074 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.907 6.737 -6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.397 6.983 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.135 5.594 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.016 6.817 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.439 8.184 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.436 8.878 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.884 8.036 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.805 7.310 -8.818 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.797 5.543 -4.396 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.106 6.060 -4.781 1.00 0.00 C ATOM 1077 C LEU A 75 -11.368 7.415 -4.132 1.00 0.00 C ATOM 1078 O LEU A 75 -10.964 7.658 -2.995 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.203 5.071 -4.384 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.634 5.611 -4.409 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.627 4.481 -4.631 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -13.946 6.352 -3.117 1.00 0.00 C ATOM 0 H LEU A 75 -9.667 5.430 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.115 6.188 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.149 4.211 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.990 4.708 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.723 6.313 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.640 4.884 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.417 3.993 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.538 3.754 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.968 6.730 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.839 5.671 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.255 7.187 -3.000 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.048 8.293 -4.862 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.365 9.624 -4.357 1.00 0.00 C ATOM 1096 C GLU A 76 -13.720 9.631 -3.654 1.00 0.00 C ATOM 1097 O GLU A 76 -14.759 9.441 -4.286 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.366 10.641 -5.499 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.143 12.073 -5.040 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.606 13.092 -6.062 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.172 13.000 -7.230 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.402 13.982 -5.695 1.00 0.00 O ATOM 0 H GLU A 76 -12.390 8.107 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.598 9.902 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.588 10.372 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.318 10.582 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.674 12.237 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.083 12.224 -4.836 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.699 9.849 -2.344 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.925 9.882 -1.555 1.00 0.00 C ATOM 1111 C ALA A 77 -16.017 10.670 -2.270 1.00 0.00 C ATOM 1112 O ALA A 77 -17.135 10.185 -2.441 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.654 10.478 -0.182 1.00 0.00 C ATOM 0 H ALA A 77 -12.847 10.005 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.275 8.857 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.578 10.496 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.913 9.871 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.276 11.494 -0.295 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.685 11.889 -2.686 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.639 12.744 -3.381 1.00 0.00 C ATOM 1121 C GLU A 78 -16.933 12.207 -4.779 1.00 0.00 C ATOM 1122 O GLU A 78 -18.011 12.432 -5.329 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.102 14.174 -3.475 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.302 14.983 -2.205 1.00 0.00 C ATOM 1125 CD GLU A 78 -16.178 16.476 -2.439 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -15.381 16.876 -3.312 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -16.879 17.245 -1.747 1.00 0.00 O ATOM 0 H GLU A 78 -14.763 12.305 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.567 12.749 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.038 14.139 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.595 14.685 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.286 14.764 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.567 14.673 -1.462 1.00 0.00 H new ATOM 1134 N GLY A 79 -15.966 11.496 -5.349 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.139 10.938 -6.678 1.00 0.00 C ATOM 1136 C GLY A 79 -17.139 9.799 -6.703 1.00 0.00 C ATOM 1137 O GLY A 79 -17.994 9.733 -7.586 1.00 0.00 O ATOM 0 H GLY A 79 -15.065 11.296 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.470 11.723 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.177 10.581 -7.047 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.030 8.897 -5.732 1.00 0.00 N ATOM 1142 CA VAL A 80 -17.932 7.755 -5.646 1.00 0.00 C ATOM 1143 C VAL A 80 -18.566 7.657 -4.263 1.00 0.00 C ATOM 1144 O VAL A 80 -18.100 6.925 -3.389 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.198 6.436 -5.956 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.172 5.268 -5.951 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.475 6.531 -7.291 1.00 0.00 C ATOM 0 H VAL A 80 -16.326 8.935 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.713 7.912 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.456 6.262 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.635 4.346 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.641 5.189 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.940 5.431 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.962 5.591 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.198 6.729 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.747 7.341 -7.254 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.655 8.412 -4.057 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.377 8.428 -2.781 1.00 0.00 C ATOM 1159 C PRO A 81 -21.114 7.119 -2.516 1.00 0.00 C ATOM 1160 O PRO A 81 -21.392 6.775 -1.368 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.374 9.577 -2.952 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.578 9.686 -4.424 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.266 9.308 -5.053 1.00 0.00 C ATOM 0 HA PRO A 81 -19.703 8.552 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.311 9.368 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.983 10.506 -2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.376 9.023 -4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.867 10.699 -4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.409 8.807 -6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.644 10.183 -5.241 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.426 6.394 -3.586 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.131 5.123 -3.467 1.00 0.00 C ATOM 1173 C GLU A 82 -21.444 4.213 -2.452 1.00 0.00 C ATOM 1174 O GLU A 82 -22.073 3.729 -1.511 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.203 4.425 -4.827 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.081 3.185 -4.828 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.538 3.502 -5.101 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -24.807 4.365 -5.963 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.410 2.888 -4.451 1.00 0.00 O ATOM 0 H GLU A 82 -21.202 6.665 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.143 5.329 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.582 5.129 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.196 4.147 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.717 2.488 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.997 2.684 -3.864 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.150 3.985 -2.651 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.377 3.134 -1.754 1.00 0.00 C ATOM 1188 C VAL A 83 -19.143 3.819 -0.412 1.00 0.00 C ATOM 1189 O VAL A 83 -19.359 3.227 0.645 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.016 2.759 -2.370 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.195 1.934 -1.390 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.213 2.007 -3.678 1.00 0.00 C ATOM 0 H VAL A 83 -19.615 4.378 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.960 2.226 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.468 3.677 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.237 1.678 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.024 2.512 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.735 1.020 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.241 1.750 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.781 1.095 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.758 2.637 -4.381 1.00 0.00 H new ATOM 1202 N SER A 84 -18.701 5.072 -0.463 1.00 0.00 N ATOM 1203 CA SER A 84 -18.434 5.838 0.749 1.00 0.00 C ATOM 1204 C SER A 84 -19.599 5.728 1.729 1.00 0.00 C ATOM 1205 O SER A 84 -19.397 5.613 2.937 1.00 0.00 O ATOM 1206 CB SER A 84 -18.180 7.307 0.404 1.00 0.00 C ATOM 1207 OG SER A 84 -17.268 7.427 -0.674 1.00 0.00 O ATOM 0 H SER A 84 -18.520 5.578 -1.330 1.00 0.00 H new ATOM 0 HA SER A 84 -17.543 5.424 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.121 7.791 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.786 7.826 1.278 1.00 0.00 H new ATOM 0 HG SER A 84 -17.754 7.360 -1.522 1.00 0.00 H new ATOM 1213 N GLU A 85 -20.816 5.764 1.197 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.014 5.669 2.024 1.00 0.00 C ATOM 1215 C GLU A 85 -22.074 4.323 2.741 1.00 0.00 C ATOM 1216 O GLU A 85 -22.191 4.263 3.965 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.268 5.861 1.169 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.479 6.323 1.961 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.244 7.643 2.671 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -24.210 8.686 1.986 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -24.092 7.631 3.911 1.00 0.00 O ATOM 0 H GLU A 85 -20.999 5.858 0.198 1.00 0.00 H new ATOM 0 HA GLU A 85 -21.971 6.459 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.056 6.590 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.506 4.921 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.331 6.423 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.740 5.561 2.696 1.00 0.00 H new ATOM 1228 N LYS A 86 -21.996 3.245 1.969 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.041 1.899 2.528 1.00 0.00 C ATOM 1230 C LYS A 86 -21.192 1.805 3.792 1.00 0.00 C ATOM 1231 O LYS A 86 -21.705 1.534 4.877 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.552 0.879 1.496 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.834 -0.562 1.884 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.124 -1.537 0.960 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.804 -1.612 -0.399 1.00 0.00 C ATOM 1236 NZ LYS A 86 -22.912 -2.607 -0.410 1.00 0.00 N ATOM 0 H LYS A 86 -21.901 3.277 0.954 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.076 1.676 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.027 1.088 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.479 1.005 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.512 -0.733 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.908 -0.745 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.086 -1.229 0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -21.109 -2.527 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.195 -0.630 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.069 -1.878 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -23.350 -2.628 -1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.535 -3.549 -0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -23.626 -2.339 0.297 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.891 2.032 3.643 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.972 1.973 4.773 1.00 0.00 C ATOM 1252 C TYR A 87 -19.058 3.243 5.613 1.00 0.00 C ATOM 1253 O TYR A 87 -18.561 3.291 6.738 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.538 1.771 4.280 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.340 0.489 3.503 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.520 0.453 2.126 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.972 -0.686 4.146 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.340 -0.716 1.412 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.789 -1.860 3.440 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.975 -1.870 2.073 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.794 -3.036 1.366 1.00 0.00 O ATOM 0 H TYR A 87 -19.450 2.258 2.752 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.258 1.127 5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.257 2.615 3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.864 1.775 5.137 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -17.806 1.355 1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.826 -0.682 5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.484 -0.726 0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.502 -2.765 3.956 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.837 -3.237 1.306 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.693 4.271 5.058 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.845 5.542 5.756 1.00 0.00 C ATOM 1273 C GLU A 88 -18.491 6.216 5.959 1.00 0.00 C ATOM 1274 O GLU A 88 -18.200 6.734 7.037 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.529 5.328 7.108 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.866 4.614 7.008 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.290 3.983 8.320 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -21.966 4.550 9.384 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.947 2.921 8.281 1.00 0.00 O ATOM 0 H GLU A 88 -20.110 4.248 4.127 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.467 6.193 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.866 4.752 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.678 6.296 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.629 5.323 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.805 3.842 6.241 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.669 6.204 4.916 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.346 6.814 4.979 1.00 0.00 C ATOM 1288 C ILE A 89 -16.434 8.331 4.847 1.00 0.00 C ATOM 1289 O ILE A 89 -16.279 8.879 3.755 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.420 6.267 3.877 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.178 4.770 4.081 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.102 7.026 3.867 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.362 4.453 5.316 1.00 0.00 C ATOM 0 H ILE A 89 -17.895 5.779 4.017 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.927 6.559 5.953 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.905 6.409 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.139 4.261 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.667 4.370 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.459 6.627 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.292 8.083 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.609 6.913 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.230 3.374 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.387 4.934 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.881 4.823 6.200 1.00 0.00 H new ATOM 1305 N SER A 90 -16.682 9.004 5.966 1.00 0.00 N ATOM 1306 CA SER A 90 -16.792 10.458 5.975 1.00 0.00 C ATOM 1307 C SER A 90 -15.533 11.094 6.555 1.00 0.00 C ATOM 1308 O SER A 90 -15.604 12.075 7.296 1.00 0.00 O ATOM 1309 CB SER A 90 -18.016 10.893 6.784 1.00 0.00 C ATOM 1310 OG SER A 90 -18.491 12.156 6.351 1.00 0.00 O ATOM 0 H SER A 90 -16.811 8.566 6.878 1.00 0.00 H new ATOM 0 HA SER A 90 -16.907 10.796 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.806 10.149 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.758 10.941 7.842 1.00 0.00 H new ATOM 0 HG SER A 90 -19.274 12.411 6.882 1.00 0.00 H new ATOM 1316 N SER A 91 -14.380 10.529 6.212 1.00 0.00 N ATOM 1317 CA SER A 91 -13.104 11.038 6.701 1.00 0.00 C ATOM 1318 C SER A 91 -11.955 10.565 5.815 1.00 0.00 C ATOM 1319 O SER A 91 -11.938 9.423 5.357 1.00 0.00 O ATOM 1320 CB SER A 91 -12.869 10.585 8.144 1.00 0.00 C ATOM 1321 OG SER A 91 -13.493 11.466 9.062 1.00 0.00 O ATOM 0 H SER A 91 -14.303 9.719 5.597 1.00 0.00 H new ATOM 0 HA SER A 91 -13.140 12.127 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.259 9.576 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.799 10.543 8.346 1.00 0.00 H new ATOM 0 HG SER A 91 -14.260 11.898 8.631 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.995 11.454 5.578 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.841 11.129 4.747 1.00 0.00 C ATOM 1329 C VAL A 92 -8.584 11.822 5.260 1.00 0.00 C ATOM 1330 O VAL A 92 -8.638 12.890 5.869 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.075 11.533 3.279 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.174 10.684 2.660 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.414 13.013 3.182 1.00 0.00 C ATOM 0 H VAL A 92 -10.993 12.404 5.949 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.705 10.049 4.801 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.156 11.357 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.325 10.984 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.886 9.633 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.100 10.825 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.576 13.281 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.319 13.217 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.590 13.602 3.584 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.422 11.200 5.008 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.345 9.928 4.284 1.00 0.00 C ATOM 1345 C PRO A 93 -7.904 8.765 5.097 1.00 0.00 C ATOM 1346 O PRO A 93 -8.099 8.876 6.308 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.844 9.743 4.049 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.191 10.520 5.140 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.094 11.692 5.411 1.00 0.00 C ATOM 0 HA PRO A 93 -7.934 9.944 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.564 8.690 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.548 10.114 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.066 9.909 6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.197 10.854 4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.074 11.980 6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.798 12.569 4.835 1.00 0.00 H new ATOM 1357 N THR A 94 -8.160 7.647 4.423 1.00 0.00 N ATOM 1358 CA THR A 94 -8.697 6.463 5.082 1.00 0.00 C ATOM 1359 C THR A 94 -8.465 5.213 4.242 1.00 0.00 C ATOM 1360 O THR A 94 -8.932 5.121 3.106 1.00 0.00 O ATOM 1361 CB THR A 94 -10.205 6.610 5.359 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.433 7.681 6.281 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.780 5.319 5.922 1.00 0.00 C ATOM 0 H THR A 94 -8.004 7.537 3.421 1.00 0.00 H new ATOM 0 HA THR A 94 -8.169 6.362 6.030 1.00 0.00 H new ATOM 0 HB THR A 94 -10.704 6.831 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.210 8.203 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.846 5.447 6.110 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.632 4.512 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.274 5.072 6.856 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.742 4.252 4.807 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.447 3.006 4.108 1.00 0.00 C ATOM 1373 C PHE A 95 -8.342 1.877 4.611 1.00 0.00 C ATOM 1374 O PHE A 95 -8.654 1.798 5.800 1.00 0.00 O ATOM 1375 CB PHE A 95 -5.977 2.628 4.294 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.023 3.728 3.924 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.554 3.847 2.625 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.597 4.642 4.873 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.676 4.858 2.282 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.719 5.655 4.536 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.259 5.764 3.238 1.00 0.00 C ATOM 0 H PHE A 95 -7.350 4.312 5.747 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.644 3.158 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.811 2.349 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.757 1.748 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.878 3.143 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.955 4.562 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.316 4.940 1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.393 6.360 5.286 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.575 6.556 2.971 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.752 1.004 3.697 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.612 -0.122 4.046 1.00 0.00 C ATOM 1393 C LEU A 96 -9.097 -1.414 3.421 1.00 0.00 C ATOM 1394 O LEU A 96 -9.144 -1.590 2.203 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.046 0.144 3.584 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.853 1.126 4.434 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.276 1.242 3.910 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -11.854 0.693 5.893 1.00 0.00 C ATOM 0 H LEU A 96 -8.503 1.054 2.709 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.600 -0.234 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.013 0.521 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.580 -0.806 3.557 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.382 2.107 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.835 1.945 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.257 1.599 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.758 0.265 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.433 1.403 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.300 -0.298 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.830 0.663 6.264 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.607 -2.318 4.263 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.083 -3.596 3.795 1.00 0.00 C ATOM 1412 C PHE A 97 -9.217 -4.580 3.520 1.00 0.00 C ATOM 1413 O PHE A 97 -10.066 -4.820 4.378 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.119 -4.185 4.826 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.964 -3.282 5.151 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.117 -2.234 6.044 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.725 -3.482 4.564 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.056 -1.401 6.346 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.660 -2.653 4.863 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.826 -1.611 5.753 1.00 0.00 C ATOM 0 H PHE A 97 -8.562 -2.189 5.274 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.544 -3.421 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.668 -4.403 5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.734 -5.133 4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.077 -2.066 6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.590 -4.294 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.188 -0.588 7.044 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.699 -2.820 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.996 -0.961 5.985 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.223 -5.146 2.318 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.252 -6.103 1.929 1.00 0.00 C ATOM 1432 C PHE A 98 -9.627 -7.417 1.471 1.00 0.00 C ATOM 1433 O PHE A 98 -8.881 -7.456 0.492 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.122 -5.522 0.812 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.059 -4.446 1.280 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.270 -4.771 1.869 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.729 -3.108 1.130 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -14.134 -3.782 2.301 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.589 -2.116 1.560 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.793 -2.453 2.145 1.00 0.00 C ATOM 0 H PHE A 98 -8.527 -4.959 1.596 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.876 -6.302 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.476 -5.117 0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.702 -6.326 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.542 -5.809 1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.789 -2.838 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -15.075 -4.049 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.319 -1.077 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.467 -1.679 2.480 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.936 -8.493 2.187 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.407 -9.811 1.856 1.00 0.00 C ATOM 1452 C LYS A 99 -10.534 -10.779 1.510 1.00 0.00 C ATOM 1453 O LYS A 99 -11.406 -11.050 2.334 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.588 -10.362 3.025 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.113 -10.006 2.955 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.324 -11.045 2.175 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.840 -10.977 2.499 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.027 -11.784 1.548 1.00 0.00 N ATOM 0 H LYS A 99 -10.551 -8.478 3.001 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.761 -9.707 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.001 -9.981 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.691 -11.447 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.995 -9.030 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.709 -9.924 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.703 -12.040 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.472 -10.889 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.509 -9.939 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.673 -11.336 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.021 -11.712 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.325 -12.779 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.166 -11.426 0.582 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.508 -11.297 0.286 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.527 -12.236 -0.168 1.00 0.00 C ATOM 1474 C ASN A 100 -12.915 -11.605 -0.106 1.00 0.00 C ATOM 1475 O ASN A 100 -13.909 -12.289 0.135 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.495 -13.507 0.683 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.937 -14.733 -0.092 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -11.681 -14.850 -1.290 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -12.606 -15.655 0.591 1.00 0.00 N ATOM 0 H ASN A 100 -9.793 -11.082 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.310 -12.495 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.484 -13.663 1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.142 -13.376 1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -12.930 -16.502 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.796 -15.517 1.584 1.00 0.00 H new ATOM 1486 N SER A 101 -12.973 -10.295 -0.326 1.00 0.00 N ATOM 1487 CA SER A 101 -14.238 -9.570 -0.292 1.00 0.00 C ATOM 1488 C SER A 101 -14.787 -9.502 1.129 1.00 0.00 C ATOM 1489 O SER A 101 -15.973 -9.741 1.359 1.00 0.00 O ATOM 1490 CB SER A 101 -15.258 -10.239 -1.215 1.00 0.00 C ATOM 1491 OG SER A 101 -16.387 -9.406 -1.416 1.00 0.00 O ATOM 0 H SER A 101 -12.159 -9.715 -0.530 1.00 0.00 H new ATOM 0 HA SER A 101 -14.056 -8.553 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.792 -10.464 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.575 -11.189 -0.784 1.00 0.00 H new ATOM 0 HG SER A 101 -16.787 -9.183 -0.550 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.917 -9.175 2.079 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.314 -9.077 3.478 1.00 0.00 C ATOM 1499 C GLN A 102 -13.302 -8.260 4.275 1.00 0.00 C ATOM 1500 O GLN A 102 -12.165 -8.687 4.478 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.456 -10.472 4.089 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.645 -11.253 3.552 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.137 -12.308 4.524 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -15.905 -13.502 4.333 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -16.822 -11.871 5.575 1.00 0.00 N ATOM 0 H GLN A 102 -12.932 -8.973 1.905 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.278 -8.570 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.544 -11.038 3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.552 -10.378 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.458 -10.562 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.367 -11.731 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.991 -10.872 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.179 -12.534 6.263 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.723 -7.083 4.726 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.855 -6.206 5.502 1.00 0.00 C ATOM 1516 C LYS A 103 -12.294 -6.934 6.720 1.00 0.00 C ATOM 1517 O LYS A 103 -13.034 -7.576 7.465 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.622 -4.959 5.948 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.735 -3.878 6.541 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.522 -2.614 6.843 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.325 -2.752 8.127 1.00 0.00 C ATOM 1522 NZ LYS A 103 -14.997 -1.476 8.501 1.00 0.00 N ATOM 0 H LYS A 103 -14.661 -6.715 4.567 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.023 -5.905 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.159 -4.548 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.371 -5.248 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.273 -4.247 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.927 -3.647 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.838 -1.770 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.195 -2.396 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.074 -3.535 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.665 -3.066 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.534 -1.611 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.281 -0.735 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.646 -1.189 7.740 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.984 -6.827 6.916 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.326 -7.473 8.044 1.00 0.00 C ATOM 1538 C ILE A 104 -9.486 -6.476 8.835 1.00 0.00 C ATOM 1539 O ILE A 104 -9.280 -6.639 10.038 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.425 -8.634 7.582 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.299 -8.109 6.690 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.247 -9.682 6.846 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -7.056 -8.972 6.715 1.00 0.00 C ATOM 0 H ILE A 104 -10.358 -6.299 6.308 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.114 -7.869 8.684 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.980 -9.101 8.460 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.662 -8.038 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.037 -7.099 7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.596 -10.496 6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -11.017 -10.073 7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.717 -9.229 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.300 -8.540 6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.669 -9.023 7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.303 -9.976 6.370 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.005 -5.444 8.152 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.189 -4.418 8.791 1.00 0.00 C ATOM 1557 C ASP A 105 -8.587 -3.027 8.306 1.00 0.00 C ATOM 1558 O ASP A 105 -9.284 -2.885 7.301 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.706 -4.665 8.507 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.802 -3.940 9.485 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.082 -3.990 10.700 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -4.814 -3.324 9.034 1.00 0.00 O ATOM 0 H ASP A 105 -9.166 -5.295 7.156 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.359 -4.471 9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.503 -5.735 8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.474 -4.340 7.493 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.141 -2.004 9.027 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.452 -0.625 8.672 1.00 0.00 C ATOM 1569 C ARG A 106 -7.465 0.340 9.321 1.00 0.00 C ATOM 1570 O ARG A 106 -7.077 0.165 10.477 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.879 -0.276 9.100 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.148 1.219 9.159 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.491 1.518 9.807 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.079 2.755 9.302 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.136 3.344 9.850 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.717 2.812 10.917 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.613 4.469 9.333 1.00 0.00 N ATOM 0 H ARG A 106 -7.563 -2.104 9.861 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.370 -0.528 7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.581 -0.736 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.072 -0.710 10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.354 1.711 9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.129 1.633 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.175 0.690 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.364 1.592 10.887 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.655 3.191 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.352 1.948 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.528 3.267 11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.168 4.883 8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.425 4.920 9.755 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.060 1.358 8.570 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.117 2.352 9.071 1.00 0.00 C ATOM 1593 C LEU A 107 -6.699 3.758 8.965 1.00 0.00 C ATOM 1594 O LEU A 107 -7.026 4.224 7.874 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.801 2.272 8.295 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.548 2.717 9.049 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.311 2.538 8.183 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.682 4.165 9.498 1.00 0.00 C ATOM 0 H LEU A 107 -7.370 1.517 7.611 1.00 0.00 H new ATOM 0 HA LEU A 107 -5.925 2.137 10.122 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.657 1.242 7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.895 2.881 7.396 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.439 2.091 9.935 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.429 2.860 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.205 1.488 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.410 3.138 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.781 4.465 10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.816 4.805 8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.545 4.263 10.157 1.00 0.00 H new ATOM 1610 N ASP A 108 -6.823 4.428 10.105 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.362 5.783 10.141 1.00 0.00 C ATOM 1612 C ASP A 108 -6.278 6.790 10.511 1.00 0.00 C ATOM 1613 O ASP A 108 -5.563 6.613 11.496 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.518 5.868 11.139 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.668 4.950 10.774 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -9.410 3.886 10.172 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -10.825 5.295 11.090 1.00 0.00 O ATOM 0 H ASP A 108 -6.558 4.055 11.017 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.733 6.027 9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -8.154 5.612 12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.878 6.896 11.186 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.162 7.847 9.713 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.162 8.866 9.973 1.00 0.00 C ATOM 1624 C GLY A 109 -3.970 8.760 9.042 1.00 0.00 C ATOM 1625 O GLY A 109 -3.363 7.697 8.919 1.00 0.00 O ATOM 0 H GLY A 109 -6.742 8.016 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.616 9.851 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.822 8.782 11.005 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.636 9.865 8.383 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.509 9.891 7.458 1.00 0.00 C ATOM 1631 C ALA A 110 -1.246 9.348 8.117 1.00 0.00 C ATOM 1632 O ALA A 110 -0.596 10.039 8.901 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.275 11.307 6.952 1.00 0.00 C ATOM 0 H ALA A 110 -4.129 10.753 8.472 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.751 9.249 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.431 11.312 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.167 11.661 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.059 11.964 7.795 1.00 0.00 H new ATOM 1639 N HIS A 111 -0.903 8.105 7.793 1.00 0.00 N ATOM 1640 CA HIS A 111 0.283 7.468 8.354 1.00 0.00 C ATOM 1641 C HIS A 111 1.141 6.852 7.253 1.00 0.00 C ATOM 1642 O HIS A 111 0.728 5.900 6.591 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.118 6.394 9.365 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.719 6.948 10.621 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -1.980 6.874 11.106 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 0.002 7.680 11.540 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -1.998 7.555 12.298 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -0.790 8.032 12.538 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.430 7.519 7.145 1.00 0.00 H new ATOM 0 HA HIS A 111 0.869 8.233 8.862 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.833 5.716 8.898 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.761 5.803 9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.050 7.927 11.457 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.860 7.680 12.936 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.515 8.579 13.354 1.00 0.00 H new ATOM 1657 N ALA A 112 2.336 7.402 7.062 1.00 0.00 N ATOM 1658 CA ALA A 112 3.251 6.906 6.042 1.00 0.00 C ATOM 1659 C ALA A 112 3.795 5.530 6.415 1.00 0.00 C ATOM 1660 O ALA A 112 3.635 4.554 5.683 1.00 0.00 O ATOM 1661 CB ALA A 112 4.394 7.889 5.836 1.00 0.00 C ATOM 0 H ALA A 112 2.693 8.191 7.601 1.00 0.00 H new ATOM 0 HA ALA A 112 2.697 6.808 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.070 7.506 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.993 8.851 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.939 8.015 6.772 1.00 0.00 H new ATOM 1667 N PRO A 113 4.453 5.450 7.581 1.00 0.00 N ATOM 1668 CA PRO A 113 5.034 4.198 8.077 1.00 0.00 C ATOM 1669 C PRO A 113 3.969 3.191 8.497 1.00 0.00 C ATOM 1670 O PRO A 113 4.000 2.033 8.083 1.00 0.00 O ATOM 1671 CB PRO A 113 5.856 4.645 9.289 1.00 0.00 C ATOM 1672 CG PRO A 113 5.204 5.904 9.746 1.00 0.00 C ATOM 1673 CD PRO A 113 4.682 6.574 8.505 1.00 0.00 C ATOM 0 HA PRO A 113 5.620 3.689 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.848 3.888 10.073 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.898 4.814 9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.395 5.693 10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.915 6.545 10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.763 7.126 8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.401 7.287 8.101 1.00 0.00 H new ATOM 1681 N GLU A 114 3.027 3.641 9.320 1.00 0.00 N ATOM 1682 CA GLU A 114 1.953 2.778 9.796 1.00 0.00 C ATOM 1683 C GLU A 114 1.306 2.026 8.636 1.00 0.00 C ATOM 1684 O GLU A 114 1.080 0.818 8.714 1.00 0.00 O ATOM 1685 CB GLU A 114 0.897 3.601 10.537 1.00 0.00 C ATOM 1686 CG GLU A 114 0.194 2.834 11.643 1.00 0.00 C ATOM 1687 CD GLU A 114 1.102 2.548 12.823 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.695 3.507 13.361 1.00 0.00 O ATOM 1689 OE2 GLU A 114 1.221 1.366 13.209 1.00 0.00 O ATOM 0 H GLU A 114 2.986 4.598 9.671 1.00 0.00 H new ATOM 0 HA GLU A 114 2.384 2.050 10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.371 4.485 10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.154 3.952 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.669 3.405 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.184 1.893 11.244 1.00 0.00 H new ATOM 1696 N LEU A 115 1.009 2.749 7.562 1.00 0.00 N ATOM 1697 CA LEU A 115 0.388 2.152 6.385 1.00 0.00 C ATOM 1698 C LEU A 115 1.191 0.951 5.895 1.00 0.00 C ATOM 1699 O LEU A 115 0.668 -0.159 5.790 1.00 0.00 O ATOM 1700 CB LEU A 115 0.265 3.188 5.267 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.443 2.723 3.994 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.911 2.442 4.273 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.296 3.761 2.892 1.00 0.00 C ATOM 0 H LEU A 115 1.188 3.750 7.482 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.608 1.810 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.268 4.054 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.267 3.524 4.999 1.00 0.00 H new ATOM 0 HG LEU A 115 0.025 1.798 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.399 2.112 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.995 1.662 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.393 3.350 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.806 3.413 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.737 4.703 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.761 3.912 2.673 1.00 0.00 H new ATOM 1715 N THR A 116 2.466 1.180 5.598 1.00 0.00 N ATOM 1716 CA THR A 116 3.342 0.118 5.121 1.00 0.00 C ATOM 1717 C THR A 116 3.271 -1.104 6.029 1.00 0.00 C ATOM 1718 O THR A 116 2.958 -2.208 5.581 1.00 0.00 O ATOM 1719 CB THR A 116 4.805 0.593 5.032 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.895 1.747 4.189 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.700 -0.510 4.488 1.00 0.00 C ATOM 0 H THR A 116 2.915 2.092 5.680 1.00 0.00 H new ATOM 0 HA THR A 116 2.994 -0.153 4.124 1.00 0.00 H new ATOM 0 HB THR A 116 5.142 0.850 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.828 2.044 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.728 -0.151 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.652 -1.376 5.148 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.362 -0.794 3.491 1.00 0.00 H new ATOM 1729 N LYS A 117 3.561 -0.901 7.310 1.00 0.00 N ATOM 1730 CA LYS A 117 3.528 -1.986 8.284 1.00 0.00 C ATOM 1731 C LYS A 117 2.311 -2.878 8.063 1.00 0.00 C ATOM 1732 O LYS A 117 2.444 -4.069 7.779 1.00 0.00 O ATOM 1733 CB LYS A 117 3.509 -1.421 9.706 1.00 0.00 C ATOM 1734 CG LYS A 117 4.849 -0.869 10.160 1.00 0.00 C ATOM 1735 CD LYS A 117 4.942 -0.804 11.675 1.00 0.00 C ATOM 1736 CE LYS A 117 4.002 0.247 12.246 1.00 0.00 C ATOM 1737 NZ LYS A 117 4.535 1.625 12.063 1.00 0.00 N ATOM 0 H LYS A 117 3.822 0.006 7.698 1.00 0.00 H new ATOM 0 HA LYS A 117 4.427 -2.589 8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.762 -0.630 9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.196 -2.205 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.652 -1.496 9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.993 0.128 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.699 -1.779 12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.967 -0.575 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.029 0.166 11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.845 0.056 13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.866 2.312 12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.451 1.710 12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.660 1.817 11.049 1.00 0.00 H new ATOM 1751 N LYS A 118 1.124 -2.295 8.194 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.117 -3.036 8.007 1.00 0.00 C ATOM 1753 C LYS A 118 -0.141 -3.723 6.645 1.00 0.00 C ATOM 1754 O LYS A 118 -0.359 -4.931 6.551 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.320 -2.099 8.138 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.691 -1.783 9.576 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.632 -0.593 9.661 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.316 -0.519 11.018 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.589 -1.291 11.039 1.00 0.00 N ATOM 0 H LYS A 118 0.996 -1.311 8.429 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.174 -3.801 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.103 -1.168 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.178 -2.552 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.163 -2.654 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.787 -1.575 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.074 0.327 9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.385 -0.666 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.644 -0.905 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.519 0.523 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.703 -1.748 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.388 -0.647 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.567 -2.018 10.295 1.00 0.00 H new ATOM 1773 N VAL A 119 0.087 -2.945 5.591 1.00 0.00 N ATOM 1774 CA VAL A 119 0.095 -3.479 4.234 1.00 0.00 C ATOM 1775 C VAL A 119 0.917 -4.761 4.153 1.00 0.00 C ATOM 1776 O VAL A 119 0.438 -5.786 3.669 1.00 0.00 O ATOM 1777 CB VAL A 119 0.659 -2.455 3.231 1.00 0.00 C ATOM 1778 CG1 VAL A 119 0.686 -3.041 1.828 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.156 -1.171 3.266 1.00 0.00 C ATOM 0 H VAL A 119 0.269 -1.943 5.651 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.941 -3.698 3.974 1.00 0.00 H new ATOM 0 HB VAL A 119 1.683 -2.216 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.087 -2.303 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.316 -3.930 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.326 -3.310 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.256 -0.459 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.191 -1.390 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.118 -0.743 4.268 1.00 0.00 H new ATOM 1789 N GLN A 120 2.155 -4.694 4.629 1.00 0.00 N ATOM 1790 CA GLN A 120 3.044 -5.849 4.609 1.00 0.00 C ATOM 1791 C GLN A 120 2.493 -6.975 5.478 1.00 0.00 C ATOM 1792 O GLN A 120 2.358 -8.112 5.025 1.00 0.00 O ATOM 1793 CB GLN A 120 4.441 -5.454 5.093 1.00 0.00 C ATOM 1794 CG GLN A 120 5.148 -4.472 4.172 1.00 0.00 C ATOM 1795 CD GLN A 120 6.202 -3.654 4.891 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.080 -3.373 6.084 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.246 -3.266 4.168 1.00 0.00 N ATOM 0 H GLN A 120 2.566 -3.852 5.033 1.00 0.00 H new ATOM 0 HA GLN A 120 3.111 -6.206 3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.361 -5.014 6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.051 -6.352 5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.614 -5.019 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.412 -3.801 3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.307 -3.521 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 120 7.987 -2.713 4.598 1.00 0.00 H new ATOM 1806 N ARG A 121 2.175 -6.651 6.727 1.00 0.00 N ATOM 1807 CA ARG A 121 1.640 -7.636 7.659 1.00 0.00 C ATOM 1808 C ARG A 121 0.627 -8.545 6.968 1.00 0.00 C ATOM 1809 O ARG A 121 0.720 -9.770 7.048 1.00 0.00 O ATOM 1810 CB ARG A 121 0.983 -6.937 8.851 1.00 0.00 C ATOM 1811 CG ARG A 121 0.185 -7.874 9.743 1.00 0.00 C ATOM 1812 CD ARG A 121 -1.265 -7.969 9.294 1.00 0.00 C ATOM 1813 NE ARG A 121 -2.067 -8.783 10.204 1.00 0.00 N ATOM 1814 CZ ARG A 121 -2.138 -10.108 10.136 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -1.458 -10.765 9.206 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -2.889 -10.779 11.000 1.00 0.00 N ATOM 0 H ARG A 121 2.279 -5.714 7.117 1.00 0.00 H new ATOM 0 HA ARG A 121 2.468 -8.248 8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.755 -6.451 9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.324 -6.151 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.637 -8.866 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.226 -7.520 10.773 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.692 -6.968 9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.307 -8.397 8.292 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.602 -8.308 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.879 -10.253 8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.514 -11.782 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.413 -10.278 11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.943 -11.796 10.947 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.340 -7.936 6.289 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.370 -8.690 5.583 1.00 0.00 C ATOM 1832 C HIS A 122 -0.812 -9.303 4.302 1.00 0.00 C ATOM 1833 O HIS A 122 -0.995 -10.492 4.041 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.558 -7.786 5.254 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.113 -7.068 6.446 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.824 -7.702 7.443 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.055 -5.763 6.799 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.182 -6.818 8.356 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.727 -5.633 7.990 1.00 0.00 N ATOM 0 H HIS A 122 -0.432 -6.923 6.213 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.706 -9.496 6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.250 -7.052 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.347 -8.387 4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.571 -4.971 6.247 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.750 -7.028 9.250 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -3.854 -4.763 8.507 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.133 -8.484 3.506 1.00 0.00 N ATOM 1849 CA ALA A 123 0.451 -8.946 2.253 1.00 0.00 C ATOM 1850 C ALA A 123 1.082 -10.325 2.418 1.00 0.00 C ATOM 1851 O ALA A 123 0.929 -11.194 1.559 1.00 0.00 O ATOM 1852 CB ALA A 123 1.485 -7.948 1.753 1.00 0.00 C ATOM 0 H ALA A 123 0.026 -7.497 3.707 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.348 -9.025 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.913 -8.306 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.008 -6.982 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.276 -7.840 2.496 1.00 0.00 H new ATOM 1858 N SER A 124 1.791 -10.519 3.525 1.00 0.00 N ATOM 1859 CA SER A 124 2.448 -11.791 3.799 1.00 0.00 C ATOM 1860 C SER A 124 1.618 -12.956 3.270 1.00 0.00 C ATOM 1861 O SER A 124 0.623 -13.351 3.879 1.00 0.00 O ATOM 1862 CB SER A 124 2.680 -11.956 5.303 1.00 0.00 C ATOM 1863 OG SER A 124 3.199 -13.240 5.601 1.00 0.00 O ATOM 0 H SER A 124 1.925 -9.811 4.247 1.00 0.00 H new ATOM 0 HA SER A 124 3.411 -11.792 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.372 -11.190 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 124 1.742 -11.807 5.837 1.00 0.00 H new ATOM 0 HG SER A 124 3.340 -13.320 6.568 1.00 0.00 H new ATOM 1869 N SER A 125 2.034 -13.503 2.132 1.00 0.00 N ATOM 1870 CA SER A 125 1.328 -14.621 1.518 1.00 0.00 C ATOM 1871 C SER A 125 1.778 -15.947 2.124 1.00 0.00 C ATOM 1872 O SER A 125 2.721 -15.994 2.913 1.00 0.00 O ATOM 1873 CB SER A 125 1.564 -14.632 0.007 1.00 0.00 C ATOM 1874 OG SER A 125 2.918 -14.919 -0.296 1.00 0.00 O ATOM 0 H SER A 125 2.857 -13.190 1.617 1.00 0.00 H new ATOM 0 HA SER A 125 0.263 -14.496 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 125 0.918 -15.376 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 125 1.291 -13.664 -0.414 1.00 0.00 H new ATOM 0 HG SER A 125 3.042 -14.922 -1.268 1.00 0.00 H new ATOM 1880 N GLY A 126 1.095 -17.024 1.749 1.00 0.00 N ATOM 1881 CA GLY A 126 1.438 -18.337 2.264 1.00 0.00 C ATOM 1882 C GLY A 126 1.941 -19.271 1.182 1.00 0.00 C ATOM 1883 O GLY A 126 2.230 -18.857 0.059 1.00 0.00 O ATOM 0 H GLY A 126 0.310 -17.011 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.202 -18.233 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.562 -18.777 2.741 1.00 0.00 H new ATOM 1887 N PRO A 127 2.054 -20.565 1.517 1.00 0.00 N ATOM 1888 CA PRO A 127 2.528 -21.587 0.579 1.00 0.00 C ATOM 1889 C PRO A 127 1.523 -21.863 -0.534 1.00 0.00 C ATOM 1890 O PRO A 127 1.753 -22.711 -1.396 1.00 0.00 O ATOM 1891 CB PRO A 127 2.700 -22.826 1.462 1.00 0.00 C ATOM 1892 CG PRO A 127 1.761 -22.614 2.599 1.00 0.00 C ATOM 1893 CD PRO A 127 1.728 -21.130 2.837 1.00 0.00 C ATOM 0 HA PRO A 127 3.441 -21.280 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 127 2.460 -23.738 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 127 3.728 -22.924 1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 127 0.767 -22.993 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 127 2.100 -23.145 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 127 0.749 -20.801 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 127 2.453 -20.828 3.593 1.00 0.00 H new ATOM 1901 N SER A 128 0.407 -21.140 -0.510 1.00 0.00 N ATOM 1902 CA SER A 128 -0.635 -21.309 -1.517 1.00 0.00 C ATOM 1903 C SER A 128 -0.990 -22.782 -1.689 1.00 0.00 C ATOM 1904 O SER A 128 -1.082 -23.283 -2.810 1.00 0.00 O ATOM 1905 CB SER A 128 -0.181 -20.722 -2.855 1.00 0.00 C ATOM 1906 OG SER A 128 1.042 -21.300 -3.277 1.00 0.00 O ATOM 0 H SER A 128 0.201 -20.432 0.195 1.00 0.00 H new ATOM 0 HA SER A 128 -1.523 -20.776 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 128 -0.948 -20.894 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 128 -0.063 -19.642 -2.761 1.00 0.00 H new ATOM 0 HG SER A 128 1.128 -22.198 -2.895 1.00 0.00 H new ATOM 1912 N SER A 129 -1.187 -23.472 -0.570 1.00 0.00 N ATOM 1913 CA SER A 129 -1.528 -24.889 -0.595 1.00 0.00 C ATOM 1914 C SER A 129 -2.964 -25.094 -1.068 1.00 0.00 C ATOM 1915 O SER A 129 -3.644 -24.144 -1.454 1.00 0.00 O ATOM 1916 CB SER A 129 -1.343 -25.505 0.793 1.00 0.00 C ATOM 1917 OG SER A 129 -2.349 -25.060 1.686 1.00 0.00 O ATOM 0 H SER A 129 -1.116 -23.072 0.366 1.00 0.00 H new ATOM 0 HA SER A 129 -0.858 -25.386 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 129 -1.373 -26.592 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.361 -25.239 1.185 1.00 0.00 H new ATOM 0 HG SER A 129 -2.210 -25.469 2.566 1.00 0.00 H new ATOM 1923 N GLY A 130 -3.420 -26.343 -1.034 1.00 0.00 N ATOM 1924 CA GLY A 130 -4.772 -26.652 -1.461 1.00 0.00 C ATOM 1925 C GLY A 130 -4.845 -27.029 -2.927 1.00 0.00 C ATOM 1926 O GLY A 130 -5.221 -26.211 -3.767 1.00 0.00 O ATOM 0 H GLY A 130 -2.877 -27.146 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.161 -27.472 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.413 -25.790 -1.278 1.00 0.00 H new TER 1930 GLY A 130