USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=22 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 122:sc= 0.83 USER MOD Set 2.1: A 52 GLN : amide:sc= 1.11 K(o=1.6,f=-1.8!) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.476 K(o=1.6,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 1:sc= 0.112 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.205 USER MOD Single : A 28 GLN : amide:sc= -0.548 K(o=-0.55,f=-0.026) 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 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.42) USER MOD Single : A 53 CYS SG : rot -96:sc= 1.07 USER MOD Single : A 56 MET CE :methyl -122:sc= -1.46 (180deg=-4.4!) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 60 MET CE :methyl -162:sc= -0.54 (180deg=-1.19) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.67 K(o=-1.7,f=-6.3!) USER MOD Single : A 71 SER OG : rot -90:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 85:sc= 0.194 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 127:sc= 0.527 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 101 SER OG : rot -51:sc= 0.223 USER MOD Single : A 102 GLN : amide:sc= -0.865 K(o=-0.86,f=-4.5!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.41) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -166:sc= -1.69! (180deg=-2.01!) USER MOD Single : A 120 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.7) USER MOD Single : A 122 HIS : no HD1:sc= -5.31! C(o=-5.3!,f=-8.8!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -46:sc= 0.0607 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 37:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.507 -39.809 -43.730 1.00 0.00 N ATOM 2 CA GLY A 1 5.315 -39.812 -42.524 1.00 0.00 C ATOM 3 C GLY A 1 4.956 -38.679 -41.583 1.00 0.00 C ATOM 4 O GLY A 1 5.526 -37.591 -41.666 1.00 0.00 O ATOM 0 H1 GLY A 1 4.791 -40.602 -44.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.504 -39.910 -43.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.647 -38.913 -44.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.188 -40.763 -42.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.368 -39.735 -42.795 1.00 0.00 H new ATOM 8 N SER A 2 4.008 -38.933 -40.687 1.00 0.00 N ATOM 9 CA SER A 2 3.570 -37.923 -39.730 1.00 0.00 C ATOM 10 C SER A 2 4.726 -37.485 -38.836 1.00 0.00 C ATOM 11 O SER A 2 5.797 -38.090 -38.847 1.00 0.00 O ATOM 12 CB SER A 2 2.424 -38.464 -38.874 1.00 0.00 C ATOM 13 OG SER A 2 1.196 -38.423 -39.580 1.00 0.00 O ATOM 0 H SER A 2 3.528 -39.829 -40.603 1.00 0.00 H new ATOM 0 HA SER A 2 3.218 -37.056 -40.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.642 -39.490 -38.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.341 -37.877 -37.959 1.00 0.00 H new ATOM 0 HG SER A 2 0.480 -38.776 -39.012 1.00 0.00 H new ATOM 19 N SER A 3 4.499 -36.429 -38.062 1.00 0.00 N ATOM 20 CA SER A 3 5.522 -35.906 -37.163 1.00 0.00 C ATOM 21 C SER A 3 4.899 -35.410 -35.861 1.00 0.00 C ATOM 22 O SER A 3 3.871 -34.734 -35.870 1.00 0.00 O ATOM 23 CB SER A 3 6.292 -34.770 -37.838 1.00 0.00 C ATOM 24 OG SER A 3 7.579 -34.616 -37.267 1.00 0.00 O ATOM 0 H SER A 3 3.616 -35.919 -38.039 1.00 0.00 H new ATOM 0 HA SER A 3 6.214 -36.716 -36.930 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.386 -34.974 -38.905 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.733 -33.839 -37.740 1.00 0.00 H new ATOM 0 HG SER A 3 8.051 -33.885 -37.717 1.00 0.00 H new ATOM 30 N GLY A 4 5.531 -35.752 -34.742 1.00 0.00 N ATOM 31 CA GLY A 4 5.025 -35.335 -33.448 1.00 0.00 C ATOM 32 C GLY A 4 5.320 -33.877 -33.153 1.00 0.00 C ATOM 33 O GLY A 4 6.374 -33.362 -33.527 1.00 0.00 O ATOM 0 H GLY A 4 6.384 -36.310 -34.709 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.948 -35.499 -33.412 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.468 -35.957 -32.670 1.00 0.00 H new ATOM 37 N SER A 5 4.387 -33.210 -32.481 1.00 0.00 N ATOM 38 CA SER A 5 4.549 -31.802 -32.142 1.00 0.00 C ATOM 39 C SER A 5 4.496 -31.598 -30.631 1.00 0.00 C ATOM 40 O SER A 5 3.525 -31.978 -29.976 1.00 0.00 O ATOM 41 CB SER A 5 3.465 -30.963 -32.820 1.00 0.00 C ATOM 42 OG SER A 5 3.488 -29.625 -32.353 1.00 0.00 O ATOM 0 H SER A 5 3.511 -33.623 -32.161 1.00 0.00 H new ATOM 0 HA SER A 5 5.526 -31.478 -32.501 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.612 -30.977 -33.900 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.486 -31.402 -32.626 1.00 0.00 H new ATOM 0 HG SER A 5 2.787 -29.109 -32.803 1.00 0.00 H new ATOM 48 N SER A 6 5.546 -30.995 -30.083 1.00 0.00 N ATOM 49 CA SER A 6 5.622 -30.743 -28.649 1.00 0.00 C ATOM 50 C SER A 6 5.289 -29.288 -28.335 1.00 0.00 C ATOM 51 O SER A 6 6.078 -28.385 -28.610 1.00 0.00 O ATOM 52 CB SER A 6 7.017 -31.084 -28.123 1.00 0.00 C ATOM 53 OG SER A 6 7.034 -31.117 -26.706 1.00 0.00 O ATOM 0 H SER A 6 6.357 -30.672 -30.611 1.00 0.00 H new ATOM 0 HA SER A 6 4.889 -31.380 -28.154 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.331 -32.051 -28.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.735 -30.346 -28.481 1.00 0.00 H new ATOM 0 HG SER A 6 6.135 -30.932 -26.364 1.00 0.00 H new ATOM 59 N GLY A 7 4.112 -29.068 -27.755 1.00 0.00 N ATOM 60 CA GLY A 7 3.694 -27.721 -27.412 1.00 0.00 C ATOM 61 C GLY A 7 3.205 -27.613 -25.981 1.00 0.00 C ATOM 62 O GLY A 7 2.002 -27.643 -25.726 1.00 0.00 O ATOM 0 H GLY A 7 3.441 -29.799 -27.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.529 -27.036 -27.560 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.900 -27.407 -28.089 1.00 0.00 H new ATOM 66 N MET A 8 4.140 -27.487 -25.046 1.00 0.00 N ATOM 67 CA MET A 8 3.797 -27.374 -23.633 1.00 0.00 C ATOM 68 C MET A 8 3.901 -25.926 -23.163 1.00 0.00 C ATOM 69 O MET A 8 4.943 -25.499 -22.666 1.00 0.00 O ATOM 70 CB MET A 8 4.714 -28.263 -22.791 1.00 0.00 C ATOM 71 CG MET A 8 4.253 -29.709 -22.712 1.00 0.00 C ATOM 72 SD MET A 8 4.926 -30.726 -24.041 1.00 0.00 S ATOM 73 CE MET A 8 6.281 -31.536 -23.195 1.00 0.00 C ATOM 0 H MET A 8 5.141 -27.461 -25.241 1.00 0.00 H new ATOM 0 HA MET A 8 2.766 -27.705 -23.507 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.720 -28.233 -23.210 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.776 -27.854 -21.782 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.551 -30.129 -21.751 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.164 -29.742 -22.750 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.797 -32.201 -23.888 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.979 -30.785 -22.824 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.893 -32.115 -22.357 1.00 0.00 H new ATOM 83 N ALA A 9 2.815 -25.178 -23.323 1.00 0.00 N ATOM 84 CA ALA A 9 2.784 -23.779 -22.913 1.00 0.00 C ATOM 85 C ALA A 9 1.855 -23.577 -21.720 1.00 0.00 C ATOM 86 O ALA A 9 0.686 -23.229 -21.885 1.00 0.00 O ATOM 87 CB ALA A 9 2.353 -22.898 -24.075 1.00 0.00 C ATOM 0 H ALA A 9 1.945 -25.517 -23.733 1.00 0.00 H new ATOM 0 HA ALA A 9 3.791 -23.493 -22.609 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.334 -21.856 -23.754 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.058 -23.012 -24.899 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.357 -23.194 -24.406 1.00 0.00 H new ATOM 93 N ALA A 10 2.382 -23.798 -20.521 1.00 0.00 N ATOM 94 CA ALA A 10 1.600 -23.639 -19.301 1.00 0.00 C ATOM 95 C ALA A 10 1.995 -22.368 -18.558 1.00 0.00 C ATOM 96 O ALA A 10 2.872 -22.389 -17.695 1.00 0.00 O ATOM 97 CB ALA A 10 1.772 -24.854 -18.402 1.00 0.00 C ATOM 0 H ALA A 10 3.348 -24.088 -20.368 1.00 0.00 H new ATOM 0 HA ALA A 10 0.550 -23.554 -19.580 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.183 -24.722 -17.495 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.433 -25.747 -18.928 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.824 -24.966 -18.138 1.00 0.00 H new ATOM 103 N GLY A 11 1.343 -21.261 -18.899 1.00 0.00 N ATOM 104 CA GLY A 11 1.641 -19.995 -18.254 1.00 0.00 C ATOM 105 C GLY A 11 3.127 -19.795 -18.030 1.00 0.00 C ATOM 106 O GLY A 11 3.573 -19.623 -16.896 1.00 0.00 O ATOM 0 H GLY A 11 0.613 -21.218 -19.611 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.256 -19.179 -18.866 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.123 -19.948 -17.296 1.00 0.00 H new ATOM 110 N ALA A 12 3.896 -19.819 -19.114 1.00 0.00 N ATOM 111 CA ALA A 12 5.340 -19.638 -19.031 1.00 0.00 C ATOM 112 C ALA A 12 5.718 -18.167 -19.172 1.00 0.00 C ATOM 113 O ALA A 12 6.532 -17.805 -20.020 1.00 0.00 O ATOM 114 CB ALA A 12 6.038 -20.469 -20.097 1.00 0.00 C ATOM 0 H ALA A 12 3.543 -19.962 -20.060 1.00 0.00 H new ATOM 0 HA ALA A 12 5.668 -19.978 -18.049 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.116 -20.324 -20.023 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.803 -21.523 -19.949 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.696 -20.156 -21.084 1.00 0.00 H new ATOM 120 N ALA A 13 5.121 -17.325 -18.335 1.00 0.00 N ATOM 121 CA ALA A 13 5.396 -15.894 -18.366 1.00 0.00 C ATOM 122 C ALA A 13 4.691 -15.174 -17.221 1.00 0.00 C ATOM 123 O ALA A 13 3.464 -15.185 -17.132 1.00 0.00 O ATOM 124 CB ALA A 13 4.973 -15.303 -19.703 1.00 0.00 C ATOM 0 H ALA A 13 4.444 -17.609 -17.627 1.00 0.00 H new ATOM 0 HA ALA A 13 6.470 -15.754 -18.243 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.184 -14.234 -19.711 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.526 -15.789 -20.507 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.905 -15.463 -19.850 1.00 0.00 H new ATOM 130 N GLU A 14 5.476 -14.550 -16.348 1.00 0.00 N ATOM 131 CA GLU A 14 4.925 -13.827 -15.208 1.00 0.00 C ATOM 132 C GLU A 14 4.349 -12.482 -15.644 1.00 0.00 C ATOM 133 O GLU A 14 4.736 -11.934 -16.676 1.00 0.00 O ATOM 134 CB GLU A 14 6.002 -13.612 -14.143 1.00 0.00 C ATOM 135 CG GLU A 14 7.060 -12.597 -14.544 1.00 0.00 C ATOM 136 CD GLU A 14 8.267 -12.620 -13.626 1.00 0.00 C ATOM 137 OE1 GLU A 14 8.076 -12.543 -12.394 1.00 0.00 O ATOM 138 OE2 GLU A 14 9.402 -12.714 -14.138 1.00 0.00 O ATOM 0 H GLU A 14 6.494 -14.531 -16.408 1.00 0.00 H new ATOM 0 HA GLU A 14 4.120 -14.427 -14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.527 -13.283 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.487 -14.565 -13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.382 -12.797 -15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.622 -11.599 -14.537 1.00 0.00 H new ATOM 145 N ALA A 15 3.423 -11.956 -14.849 1.00 0.00 N ATOM 146 CA ALA A 15 2.795 -10.676 -15.150 1.00 0.00 C ATOM 147 C ALA A 15 2.186 -10.055 -13.898 1.00 0.00 C ATOM 148 O ALA A 15 1.515 -10.732 -13.121 1.00 0.00 O ATOM 149 CB ALA A 15 1.732 -10.850 -16.225 1.00 0.00 C ATOM 0 H ALA A 15 3.091 -12.397 -13.991 1.00 0.00 H new ATOM 0 HA ALA A 15 3.565 -10.000 -15.521 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.271 -9.886 -16.440 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.192 -11.243 -17.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.970 -11.546 -15.874 1.00 0.00 H new ATOM 155 N ALA A 16 2.427 -8.761 -13.708 1.00 0.00 N ATOM 156 CA ALA A 16 1.902 -8.049 -12.550 1.00 0.00 C ATOM 157 C ALA A 16 2.158 -6.550 -12.665 1.00 0.00 C ATOM 158 O ALA A 16 3.212 -6.125 -13.140 1.00 0.00 O ATOM 159 CB ALA A 16 2.517 -8.594 -11.270 1.00 0.00 C ATOM 0 H ALA A 16 2.982 -8.186 -14.341 1.00 0.00 H new ATOM 0 HA ALA A 16 0.824 -8.206 -12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.115 -8.052 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.278 -9.653 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.599 -8.468 -11.304 1.00 0.00 H new ATOM 165 N VAL A 17 1.188 -5.753 -12.229 1.00 0.00 N ATOM 166 CA VAL A 17 1.309 -4.301 -12.283 1.00 0.00 C ATOM 167 C VAL A 17 1.331 -3.699 -10.883 1.00 0.00 C ATOM 168 O VAL A 17 0.429 -3.937 -10.080 1.00 0.00 O ATOM 169 CB VAL A 17 0.154 -3.670 -13.083 1.00 0.00 C ATOM 170 CG1 VAL A 17 0.426 -2.197 -13.344 1.00 0.00 C ATOM 171 CG2 VAL A 17 -0.061 -4.420 -14.389 1.00 0.00 C ATOM 0 H VAL A 17 0.309 -6.088 -11.834 1.00 0.00 H new ATOM 0 HA VAL A 17 2.251 -4.081 -12.785 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.758 -3.747 -12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.401 -1.769 -13.910 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.526 -1.672 -12.394 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.349 -2.093 -13.915 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.881 -3.961 -14.942 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.849 -4.377 -14.987 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.306 -5.460 -14.175 1.00 0.00 H new ATOM 181 N ALA A 18 2.366 -2.917 -10.597 1.00 0.00 N ATOM 182 CA ALA A 18 2.505 -2.278 -9.294 1.00 0.00 C ATOM 183 C ALA A 18 2.122 -0.803 -9.362 1.00 0.00 C ATOM 184 O ALA A 18 2.894 0.067 -8.963 1.00 0.00 O ATOM 185 CB ALA A 18 3.928 -2.432 -8.778 1.00 0.00 C ATOM 0 H ALA A 18 3.121 -2.710 -11.250 1.00 0.00 H new ATOM 0 HA ALA A 18 1.824 -2.772 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.016 -1.950 -7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.167 -3.491 -8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.621 -1.966 -9.478 1.00 0.00 H new ATOM 191 N ALA A 19 0.925 -0.531 -9.871 1.00 0.00 N ATOM 192 CA ALA A 19 0.439 0.839 -9.990 1.00 0.00 C ATOM 193 C ALA A 19 -0.885 1.017 -9.256 1.00 0.00 C ATOM 194 O ALA A 19 -1.648 0.066 -9.090 1.00 0.00 O ATOM 195 CB ALA A 19 0.288 1.219 -11.456 1.00 0.00 C ATOM 0 H ALA A 19 0.274 -1.240 -10.208 1.00 0.00 H new ATOM 0 HA ALA A 19 1.172 1.501 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.075 2.244 -11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.254 1.140 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.423 0.546 -11.935 1.00 0.00 H new ATOM 201 N VAL A 20 -1.152 2.243 -8.816 1.00 0.00 N ATOM 202 CA VAL A 20 -2.384 2.547 -8.099 1.00 0.00 C ATOM 203 C VAL A 20 -3.523 2.849 -9.067 1.00 0.00 C ATOM 204 O VAL A 20 -3.551 3.907 -9.695 1.00 0.00 O ATOM 205 CB VAL A 20 -2.201 3.745 -7.149 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.520 4.108 -6.485 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.136 3.440 -6.106 1.00 0.00 C ATOM 0 H VAL A 20 -0.531 3.042 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.634 1.663 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.869 4.602 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.370 4.957 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.251 4.372 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.885 3.256 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.020 4.297 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.436 2.569 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.188 3.235 -6.603 1.00 0.00 H new ATOM 217 N GLU A 21 -4.460 1.914 -9.180 1.00 0.00 N ATOM 218 CA GLU A 21 -5.601 2.081 -10.073 1.00 0.00 C ATOM 219 C GLU A 21 -6.593 3.091 -9.503 1.00 0.00 C ATOM 220 O GLU A 21 -6.767 3.188 -8.289 1.00 0.00 O ATOM 221 CB GLU A 21 -6.299 0.739 -10.302 1.00 0.00 C ATOM 222 CG GLU A 21 -5.631 -0.120 -11.363 1.00 0.00 C ATOM 223 CD GLU A 21 -6.085 0.230 -12.767 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.178 0.817 -12.908 1.00 0.00 O ATOM 225 OE2 GLU A 21 -5.347 -0.083 -13.725 1.00 0.00 O ATOM 0 H GLU A 21 -4.452 1.034 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.231 2.457 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.324 0.187 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.334 0.922 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.550 -0.000 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.849 -1.170 -11.166 1.00 0.00 H new ATOM 232 N GLU A 22 -7.240 3.841 -10.390 1.00 0.00 N ATOM 233 CA GLU A 22 -8.214 4.844 -9.976 1.00 0.00 C ATOM 234 C GLU A 22 -9.635 4.298 -10.078 1.00 0.00 C ATOM 235 O GLU A 22 -10.036 3.769 -11.114 1.00 0.00 O ATOM 236 CB GLU A 22 -8.077 6.104 -10.833 1.00 0.00 C ATOM 237 CG GLU A 22 -8.636 5.948 -12.238 1.00 0.00 C ATOM 238 CD GLU A 22 -10.117 6.263 -12.314 1.00 0.00 C ATOM 239 OE1 GLU A 22 -10.512 7.371 -11.896 1.00 0.00 O ATOM 240 OE2 GLU A 22 -10.882 5.399 -12.793 1.00 0.00 O ATOM 0 H GLU A 22 -7.107 3.773 -11.399 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.015 5.098 -8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.589 6.928 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.024 6.376 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.093 6.606 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.467 4.927 -12.581 1.00 0.00 H new ATOM 247 N VAL A 23 -10.393 4.430 -8.994 1.00 0.00 N ATOM 248 CA VAL A 23 -11.769 3.951 -8.960 1.00 0.00 C ATOM 249 C VAL A 23 -12.752 5.111 -8.844 1.00 0.00 C ATOM 250 O VAL A 23 -12.780 5.817 -7.837 1.00 0.00 O ATOM 251 CB VAL A 23 -11.997 2.981 -7.786 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.423 2.450 -7.801 1.00 0.00 C ATOM 253 CG2 VAL A 23 -10.994 1.839 -7.837 1.00 0.00 C ATOM 0 H VAL A 23 -10.077 4.865 -8.127 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.943 3.423 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.847 3.525 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.565 1.766 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.122 3.282 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.604 1.921 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.169 1.163 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.110 1.294 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.982 2.240 -7.773 1.00 0.00 H new ATOM 263 N GLY A 24 -13.559 5.303 -9.884 1.00 0.00 N ATOM 264 CA GLY A 24 -14.533 6.378 -9.879 1.00 0.00 C ATOM 265 C GLY A 24 -15.954 5.873 -10.028 1.00 0.00 C ATOM 266 O GLY A 24 -16.800 6.545 -10.620 1.00 0.00 O ATOM 0 H GLY A 24 -13.555 4.733 -10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.446 6.939 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.310 7.070 -10.691 1.00 0.00 H new ATOM 270 N SER A 25 -16.219 4.687 -9.492 1.00 0.00 N ATOM 271 CA SER A 25 -17.547 4.090 -9.573 1.00 0.00 C ATOM 272 C SER A 25 -17.672 2.909 -8.615 1.00 0.00 C ATOM 273 O SER A 25 -16.782 2.062 -8.537 1.00 0.00 O ATOM 274 CB SER A 25 -17.837 3.632 -11.004 1.00 0.00 C ATOM 275 OG SER A 25 -16.694 3.031 -11.589 1.00 0.00 O ATOM 0 H SER A 25 -15.531 4.120 -8.996 1.00 0.00 H new ATOM 0 HA SER A 25 -18.276 4.847 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.664 2.922 -11.001 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.151 4.485 -11.606 1.00 0.00 H new ATOM 0 HG SER A 25 -16.906 2.746 -12.502 1.00 0.00 H new ATOM 281 N ALA A 26 -18.783 2.861 -7.887 1.00 0.00 N ATOM 282 CA ALA A 26 -19.026 1.784 -6.935 1.00 0.00 C ATOM 283 C ALA A 26 -18.992 0.424 -7.624 1.00 0.00 C ATOM 284 O ALA A 26 -18.438 -0.538 -7.094 1.00 0.00 O ATOM 285 CB ALA A 26 -20.361 1.990 -6.235 1.00 0.00 C ATOM 0 H ALA A 26 -19.529 3.555 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.231 1.804 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.530 1.179 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.349 2.940 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.162 1.999 -6.974 1.00 0.00 H new ATOM 291 N GLY A 27 -19.589 0.351 -8.810 1.00 0.00 N ATOM 292 CA GLY A 27 -19.617 -0.896 -9.552 1.00 0.00 C ATOM 293 C GLY A 27 -18.228 -1.440 -9.822 1.00 0.00 C ATOM 294 O GLY A 27 -18.015 -2.652 -9.801 1.00 0.00 O ATOM 0 H GLY A 27 -20.054 1.134 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.191 -1.635 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.134 -0.740 -10.499 1.00 0.00 H new ATOM 298 N GLN A 28 -17.282 -0.542 -10.078 1.00 0.00 N ATOM 299 CA GLN A 28 -15.907 -0.940 -10.357 1.00 0.00 C ATOM 300 C GLN A 28 -15.268 -1.585 -9.131 1.00 0.00 C ATOM 301 O GLN A 28 -14.674 -2.659 -9.221 1.00 0.00 O ATOM 302 CB GLN A 28 -15.083 0.270 -10.799 1.00 0.00 C ATOM 303 CG GLN A 28 -13.738 -0.098 -11.404 1.00 0.00 C ATOM 304 CD GLN A 28 -12.955 1.115 -11.867 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.397 1.855 -12.746 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.784 1.325 -11.277 1.00 0.00 N ATOM 0 H GLN A 28 -17.442 0.465 -10.098 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.924 -1.673 -11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.656 0.842 -11.529 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.920 0.921 -9.940 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.150 -0.646 -10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.895 -0.769 -12.249 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.456 0.686 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.213 2.125 -11.548 1.00 0.00 H new ATOM 315 N PHE A 29 -15.394 -0.922 -7.986 1.00 0.00 N ATOM 316 CA PHE A 29 -14.828 -1.429 -6.742 1.00 0.00 C ATOM 317 C PHE A 29 -15.449 -2.772 -6.370 1.00 0.00 C ATOM 318 O PHE A 29 -14.744 -3.763 -6.181 1.00 0.00 O ATOM 319 CB PHE A 29 -15.045 -0.423 -5.610 1.00 0.00 C ATOM 320 CG PHE A 29 -14.772 -0.988 -4.246 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.507 -1.442 -3.910 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.781 -1.065 -3.299 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.252 -1.962 -2.654 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.532 -1.583 -2.042 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.266 -2.034 -1.720 1.00 0.00 C ATOM 0 H PHE A 29 -15.883 -0.032 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.758 -1.572 -6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.399 0.440 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.073 -0.063 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.710 -1.389 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.773 -0.716 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.261 -2.311 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.326 -1.635 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.070 -2.442 -0.739 1.00 0.00 H new ATOM 335 N GLU A 30 -16.775 -2.796 -6.266 1.00 0.00 N ATOM 336 CA GLU A 30 -17.491 -4.017 -5.915 1.00 0.00 C ATOM 337 C GLU A 30 -17.159 -5.142 -6.891 1.00 0.00 C ATOM 338 O GLU A 30 -17.102 -6.311 -6.509 1.00 0.00 O ATOM 339 CB GLU A 30 -19.000 -3.764 -5.905 1.00 0.00 C ATOM 340 CG GLU A 30 -19.450 -2.809 -4.812 1.00 0.00 C ATOM 341 CD GLU A 30 -19.658 -3.503 -3.480 1.00 0.00 C ATOM 342 OE1 GLU A 30 -20.447 -4.470 -3.431 1.00 0.00 O ATOM 343 OE2 GLU A 30 -19.031 -3.079 -2.486 1.00 0.00 O ATOM 0 H GLU A 30 -17.374 -1.985 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.174 -4.320 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.299 -3.362 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.518 -4.715 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.706 -2.021 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.380 -2.327 -5.116 1.00 0.00 H new ATOM 350 N GLU A 31 -16.942 -4.780 -8.151 1.00 0.00 N ATOM 351 CA GLU A 31 -16.617 -5.759 -9.182 1.00 0.00 C ATOM 352 C GLU A 31 -15.216 -6.326 -8.971 1.00 0.00 C ATOM 353 O GLU A 31 -15.011 -7.540 -9.022 1.00 0.00 O ATOM 354 CB GLU A 31 -16.720 -5.124 -10.570 1.00 0.00 C ATOM 355 CG GLU A 31 -16.325 -6.062 -11.699 1.00 0.00 C ATOM 356 CD GLU A 31 -17.022 -5.730 -13.004 1.00 0.00 C ATOM 357 OE1 GLU A 31 -18.247 -5.486 -12.976 1.00 0.00 O ATOM 358 OE2 GLU A 31 -16.344 -5.714 -14.052 1.00 0.00 O ATOM 0 H GLU A 31 -16.985 -3.816 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.335 -6.576 -9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.744 -4.786 -10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.084 -4.240 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.246 -6.014 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.563 -7.087 -11.415 1.00 0.00 H new ATOM 365 N LEU A 32 -14.255 -5.440 -8.736 1.00 0.00 N ATOM 366 CA LEU A 32 -12.872 -5.851 -8.519 1.00 0.00 C ATOM 367 C LEU A 32 -12.764 -6.784 -7.317 1.00 0.00 C ATOM 368 O LEU A 32 -12.104 -7.822 -7.381 1.00 0.00 O ATOM 369 CB LEU A 32 -11.983 -4.624 -8.308 1.00 0.00 C ATOM 370 CG LEU A 32 -10.492 -4.821 -8.587 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.210 -4.720 -10.078 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.666 -3.801 -7.816 1.00 0.00 C ATOM 0 H LEU A 32 -14.408 -4.432 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.535 -6.389 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.349 -3.820 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.098 -4.289 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.208 -5.818 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.144 -4.863 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.773 -5.488 -10.608 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.510 -3.736 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.608 -3.956 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.953 -2.795 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.845 -3.921 -6.747 1.00 0.00 H new ATOM 384 N LEU A 33 -13.418 -6.409 -6.223 1.00 0.00 N ATOM 385 CA LEU A 33 -13.398 -7.214 -5.007 1.00 0.00 C ATOM 386 C LEU A 33 -13.411 -8.703 -5.338 1.00 0.00 C ATOM 387 O LEU A 33 -12.823 -9.514 -4.622 1.00 0.00 O ATOM 388 CB LEU A 33 -14.596 -6.866 -4.121 1.00 0.00 C ATOM 389 CG LEU A 33 -14.454 -5.609 -3.263 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.732 -5.349 -2.481 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.267 -5.737 -2.321 1.00 0.00 C ATOM 0 H LEU A 33 -13.968 -5.553 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.478 -6.989 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.472 -6.749 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.792 -7.711 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.278 -4.760 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.612 -4.450 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.561 -5.211 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.940 -6.199 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.182 -4.833 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.413 -6.597 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.355 -5.873 -2.902 1.00 0.00 H new ATOM 403 N ARG A 34 -14.084 -9.055 -6.429 1.00 0.00 N ATOM 404 CA ARG A 34 -14.173 -10.446 -6.856 1.00 0.00 C ATOM 405 C ARG A 34 -12.902 -10.873 -7.584 1.00 0.00 C ATOM 406 O ARG A 34 -12.342 -11.935 -7.307 1.00 0.00 O ATOM 407 CB ARG A 34 -15.386 -10.646 -7.766 1.00 0.00 C ATOM 408 CG ARG A 34 -16.708 -10.686 -7.017 1.00 0.00 C ATOM 409 CD ARG A 34 -17.829 -11.223 -7.894 1.00 0.00 C ATOM 410 NE ARG A 34 -17.658 -12.643 -8.191 1.00 0.00 N ATOM 411 CZ ARG A 34 -18.652 -13.439 -8.569 1.00 0.00 C ATOM 412 NH1 ARG A 34 -19.881 -12.957 -8.695 1.00 0.00 N ATOM 413 NH2 ARG A 34 -18.418 -14.721 -8.822 1.00 0.00 N ATOM 0 H ARG A 34 -14.575 -8.396 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.288 -11.066 -5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.417 -9.839 -8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.264 -11.576 -8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.606 -11.312 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.963 -9.684 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.786 -11.070 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.862 -10.659 -8.826 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.725 -13.045 -8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -20.065 -11.973 -8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.642 -13.571 -8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.474 -15.096 -8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.182 -15.331 -9.112 1.00 0.00 H new ATOM 427 N LEU A 35 -12.452 -10.041 -8.516 1.00 0.00 N ATOM 428 CA LEU A 35 -11.247 -10.332 -9.285 1.00 0.00 C ATOM 429 C LEU A 35 -10.030 -10.435 -8.372 1.00 0.00 C ATOM 430 O LEU A 35 -9.335 -11.452 -8.356 1.00 0.00 O ATOM 431 CB LEU A 35 -11.017 -9.248 -10.340 1.00 0.00 C ATOM 432 CG LEU A 35 -11.888 -9.336 -11.593 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.983 -7.978 -12.273 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.336 -10.378 -12.555 1.00 0.00 C ATOM 0 H LEU A 35 -12.903 -9.159 -8.758 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.387 -11.291 -9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.181 -8.276 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.971 -9.282 -10.646 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.891 -9.642 -11.294 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.607 -8.060 -13.163 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.425 -7.257 -11.585 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.986 -7.643 -12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.969 -10.427 -13.441 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.323 -10.103 -12.848 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.320 -11.352 -12.066 1.00 0.00 H new ATOM 446 N LYS A 36 -9.777 -9.377 -7.610 1.00 0.00 N ATOM 447 CA LYS A 36 -8.646 -9.348 -6.690 1.00 0.00 C ATOM 448 C LYS A 36 -9.053 -9.858 -5.311 1.00 0.00 C ATOM 449 O LYS A 36 -8.627 -9.321 -4.289 1.00 0.00 O ATOM 450 CB LYS A 36 -8.091 -7.926 -6.576 1.00 0.00 C ATOM 451 CG LYS A 36 -7.737 -7.302 -7.915 1.00 0.00 C ATOM 452 CD LYS A 36 -6.529 -7.977 -8.542 1.00 0.00 C ATOM 453 CE LYS A 36 -6.039 -7.218 -9.766 1.00 0.00 C ATOM 454 NZ LYS A 36 -4.804 -7.823 -10.337 1.00 0.00 N ATOM 0 H LYS A 36 -10.341 -8.527 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.871 -10.004 -7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.827 -7.297 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.202 -7.941 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.589 -7.379 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.532 -6.240 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.726 -8.043 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.787 -8.998 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.822 -7.208 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.843 -6.180 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.503 -7.277 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.049 -7.810 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.997 -8.805 -10.619 1.00 0.00 H new ATOM 468 N ALA A 37 -9.878 -10.900 -5.290 1.00 0.00 N ATOM 469 CA ALA A 37 -10.339 -11.484 -4.037 1.00 0.00 C ATOM 470 C ALA A 37 -9.193 -12.162 -3.294 1.00 0.00 C ATOM 471 O ALA A 37 -8.793 -11.723 -2.215 1.00 0.00 O ATOM 472 CB ALA A 37 -11.461 -12.477 -4.300 1.00 0.00 C ATOM 0 H ALA A 37 -10.241 -11.357 -6.127 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.720 -10.680 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.796 -12.906 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.294 -11.965 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.098 -13.272 -4.951 1.00 0.00 H new ATOM 478 N LYS A 38 -8.669 -13.235 -3.876 1.00 0.00 N ATOM 479 CA LYS A 38 -7.568 -13.975 -3.269 1.00 0.00 C ATOM 480 C LYS A 38 -6.404 -13.045 -2.942 1.00 0.00 C ATOM 481 O LYS A 38 -5.752 -13.192 -1.908 1.00 0.00 O ATOM 482 CB LYS A 38 -7.098 -15.089 -4.207 1.00 0.00 C ATOM 483 CG LYS A 38 -7.885 -16.380 -4.060 1.00 0.00 C ATOM 484 CD LYS A 38 -9.151 -16.359 -4.899 1.00 0.00 C ATOM 485 CE LYS A 38 -9.733 -17.754 -5.064 1.00 0.00 C ATOM 486 NZ LYS A 38 -11.065 -17.725 -5.731 1.00 0.00 N ATOM 0 H LYS A 38 -8.989 -13.612 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.928 -14.418 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.175 -14.742 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.044 -15.292 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.262 -17.223 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.144 -16.532 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.889 -15.709 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.932 -15.937 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.047 -18.367 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.827 -18.226 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.428 -18.695 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.727 -17.162 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.972 -17.298 -6.675 1.00 0.00 H new ATOM 500 N SER A 39 -6.148 -12.089 -3.829 1.00 0.00 N ATOM 501 CA SER A 39 -5.061 -11.137 -3.635 1.00 0.00 C ATOM 502 C SER A 39 -5.448 -10.069 -2.617 1.00 0.00 C ATOM 503 O SER A 39 -6.627 -9.888 -2.308 1.00 0.00 O ATOM 504 CB SER A 39 -4.688 -10.479 -4.965 1.00 0.00 C ATOM 505 OG SER A 39 -4.182 -11.433 -5.883 1.00 0.00 O ATOM 0 H SER A 39 -6.679 -11.953 -4.689 1.00 0.00 H new ATOM 0 HA SER A 39 -4.198 -11.682 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.564 -9.990 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.942 -9.703 -4.794 1.00 0.00 H new ATOM 0 HG SER A 39 -3.953 -10.987 -6.725 1.00 0.00 H new ATOM 511 N LEU A 40 -4.448 -9.365 -2.098 1.00 0.00 N ATOM 512 CA LEU A 40 -4.683 -8.314 -1.114 1.00 0.00 C ATOM 513 C LEU A 40 -5.073 -7.007 -1.796 1.00 0.00 C ATOM 514 O LEU A 40 -4.372 -6.525 -2.687 1.00 0.00 O ATOM 515 CB LEU A 40 -3.433 -8.103 -0.257 1.00 0.00 C ATOM 516 CG LEU A 40 -3.508 -6.973 0.771 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.573 -7.271 1.814 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.154 -6.765 1.433 1.00 0.00 C ATOM 0 H LEU A 40 -3.467 -9.503 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.507 -8.627 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.216 -9.033 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.590 -7.909 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.783 -6.054 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.612 -6.456 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.543 -7.370 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.329 -8.201 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.225 -5.957 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.851 -7.683 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.415 -6.506 0.675 1.00 0.00 H new ATOM 530 N LEU A 41 -6.194 -6.436 -1.370 1.00 0.00 N ATOM 531 CA LEU A 41 -6.678 -5.182 -1.938 1.00 0.00 C ATOM 532 C LEU A 41 -6.564 -4.046 -0.926 1.00 0.00 C ATOM 533 O LEU A 41 -6.705 -4.258 0.279 1.00 0.00 O ATOM 534 CB LEU A 41 -8.130 -5.331 -2.393 1.00 0.00 C ATOM 535 CG LEU A 41 -8.621 -4.309 -3.419 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.017 -4.592 -4.785 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.141 -4.316 -3.494 1.00 0.00 C ATOM 0 H LEU A 41 -6.785 -6.821 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.057 -4.940 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.257 -6.328 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.773 -5.272 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.298 -3.318 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.378 -3.855 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.930 -4.535 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.309 -5.590 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.472 -3.583 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.486 -5.307 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.555 -4.063 -2.518 1.00 0.00 H new ATOM 549 N VAL A 42 -6.311 -2.840 -1.423 1.00 0.00 N ATOM 550 CA VAL A 42 -6.183 -1.670 -0.563 1.00 0.00 C ATOM 551 C VAL A 42 -6.955 -0.484 -1.130 1.00 0.00 C ATOM 552 O VAL A 42 -6.573 0.091 -2.149 1.00 0.00 O ATOM 553 CB VAL A 42 -4.707 -1.267 -0.380 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.604 0.076 0.326 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.953 -2.342 0.388 1.00 0.00 C ATOM 0 H VAL A 42 -6.191 -2.647 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.601 -1.942 0.406 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.250 -1.168 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.554 0.344 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.108 0.839 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.076 0.009 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.912 -2.041 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.408 -2.475 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.998 -3.282 -0.163 1.00 0.00 H new ATOM 565 N VAL A 43 -8.045 -0.121 -0.461 1.00 0.00 N ATOM 566 CA VAL A 43 -8.872 0.999 -0.896 1.00 0.00 C ATOM 567 C VAL A 43 -8.479 2.284 -0.177 1.00 0.00 C ATOM 568 O VAL A 43 -8.829 2.489 0.986 1.00 0.00 O ATOM 569 CB VAL A 43 -10.367 0.722 -0.651 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.204 1.933 -1.030 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.814 -0.509 -1.424 1.00 0.00 C ATOM 0 H VAL A 43 -8.376 -0.586 0.384 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.704 1.119 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.513 0.528 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.257 1.718 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.900 2.789 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.056 2.162 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.873 -0.690 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.654 -0.347 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.236 -1.373 -1.098 1.00 0.00 H new ATOM 581 N HIS A 44 -7.751 3.149 -0.875 1.00 0.00 N ATOM 582 CA HIS A 44 -7.311 4.416 -0.303 1.00 0.00 C ATOM 583 C HIS A 44 -8.306 5.529 -0.619 1.00 0.00 C ATOM 584 O HIS A 44 -8.560 5.836 -1.784 1.00 0.00 O ATOM 585 CB HIS A 44 -5.927 4.788 -0.835 1.00 0.00 C ATOM 586 CG HIS A 44 -5.565 6.224 -0.613 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.210 7.078 -1.637 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.507 6.957 0.523 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.947 8.273 -1.139 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.120 8.226 0.170 1.00 0.00 N ATOM 0 H HIS A 44 -7.453 2.996 -1.838 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.256 4.297 0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.180 4.155 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.888 4.573 -1.903 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.725 6.608 1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.642 9.141 -1.705 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.988 9.006 0.814 1.00 0.00 H new ATOM 599 N PHE A 45 -8.867 6.129 0.425 1.00 0.00 N ATOM 600 CA PHE A 45 -9.835 7.207 0.259 1.00 0.00 C ATOM 601 C PHE A 45 -9.131 8.537 0.006 1.00 0.00 C ATOM 602 O PHE A 45 -8.330 8.992 0.822 1.00 0.00 O ATOM 603 CB PHE A 45 -10.726 7.316 1.498 1.00 0.00 C ATOM 604 CG PHE A 45 -11.940 6.432 1.444 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.820 5.059 1.581 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.200 6.975 1.254 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.934 4.243 1.532 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.319 6.165 1.205 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.185 4.797 1.343 1.00 0.00 C ATOM 0 H PHE A 45 -8.668 5.887 1.396 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.455 6.974 -0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.140 7.061 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.045 8.351 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.844 4.621 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.309 8.044 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.827 3.174 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.296 6.601 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.057 4.162 1.303 1.00 0.00 H new ATOM 619 N TRP A 46 -9.436 9.153 -1.130 1.00 0.00 N ATOM 620 CA TRP A 46 -8.832 10.431 -1.491 1.00 0.00 C ATOM 621 C TRP A 46 -9.904 11.478 -1.777 1.00 0.00 C ATOM 622 O TRP A 46 -10.823 11.241 -2.559 1.00 0.00 O ATOM 623 CB TRP A 46 -7.927 10.263 -2.713 1.00 0.00 C ATOM 624 CG TRP A 46 -8.677 10.257 -4.011 1.00 0.00 C ATOM 625 CD1 TRP A 46 -9.150 9.164 -4.678 1.00 0.00 C ATOM 626 CD2 TRP A 46 -9.036 11.397 -4.798 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.783 9.556 -5.834 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.727 10.921 -5.930 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.844 12.774 -4.657 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -10.224 11.774 -6.912 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.337 13.619 -5.632 1.00 0.00 C ATOM 632 CH2 TRP A 46 -10.021 13.118 -6.748 1.00 0.00 C ATOM 0 H TRP A 46 -10.097 8.789 -1.816 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.232 10.773 -0.647 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.195 11.071 -2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.371 9.330 -2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -9.043 8.142 -4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.223 8.932 -6.510 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.319 13.171 -3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.751 11.389 -7.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.193 14.685 -5.533 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.395 13.805 -7.493 1.00 0.00 H new ATOM 643 N ALA A 47 -9.778 12.636 -1.137 1.00 0.00 N ATOM 644 CA ALA A 47 -10.734 13.720 -1.325 1.00 0.00 C ATOM 645 C ALA A 47 -10.093 14.899 -2.050 1.00 0.00 C ATOM 646 O ALA A 47 -8.927 15.229 -1.837 1.00 0.00 O ATOM 647 CB ALA A 47 -11.297 14.165 0.016 1.00 0.00 C ATOM 0 H ALA A 47 -9.023 12.847 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.550 13.348 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.010 14.975 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.801 13.326 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.485 14.514 0.654 1.00 0.00 H new ATOM 653 N PRO A 48 -10.872 15.549 -2.927 1.00 0.00 N ATOM 654 CA PRO A 48 -10.400 16.701 -3.701 1.00 0.00 C ATOM 655 C PRO A 48 -10.183 17.935 -2.831 1.00 0.00 C ATOM 656 O PRO A 48 -9.664 18.950 -3.295 1.00 0.00 O ATOM 657 CB PRO A 48 -11.534 16.945 -4.701 1.00 0.00 C ATOM 658 CG PRO A 48 -12.746 16.384 -4.043 1.00 0.00 C ATOM 659 CD PRO A 48 -12.272 15.210 -3.232 1.00 0.00 C ATOM 0 HA PRO A 48 -9.434 16.509 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.654 18.008 -4.912 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.336 16.452 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.225 17.129 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.484 16.074 -4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.862 15.084 -2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.347 14.278 -3.792 1.00 0.00 H new ATOM 667 N TRP A 49 -10.583 17.839 -1.568 1.00 0.00 N ATOM 668 CA TRP A 49 -10.431 18.948 -0.633 1.00 0.00 C ATOM 669 C TRP A 49 -9.261 18.705 0.314 1.00 0.00 C ATOM 670 O TRP A 49 -8.590 19.645 0.740 1.00 0.00 O ATOM 671 CB TRP A 49 -11.719 19.146 0.168 1.00 0.00 C ATOM 672 CG TRP A 49 -12.165 17.912 0.892 1.00 0.00 C ATOM 673 CD1 TRP A 49 -13.003 16.943 0.419 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.796 17.515 2.217 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.179 15.968 1.372 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.448 16.295 2.483 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.978 18.071 3.204 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.306 15.625 3.695 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.839 17.405 4.407 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.499 16.192 4.644 1.00 0.00 C ATOM 0 H TRP A 49 -11.015 17.006 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.227 19.851 -1.208 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.569 19.948 0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.512 19.469 -0.507 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.460 16.943 -0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.760 15.136 1.268 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.464 19.005 3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.815 14.691 3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.211 17.827 5.178 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.368 15.695 5.594 1.00 0.00 H new ATOM 691 N ALA A 50 -9.022 17.439 0.640 1.00 0.00 N ATOM 692 CA ALA A 50 -7.932 17.074 1.536 1.00 0.00 C ATOM 693 C ALA A 50 -6.639 16.844 0.760 1.00 0.00 C ATOM 694 O ALA A 50 -6.490 15.862 0.032 1.00 0.00 O ATOM 695 CB ALA A 50 -8.298 15.832 2.335 1.00 0.00 C ATOM 0 H ALA A 50 -9.569 16.649 0.297 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.769 17.901 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.474 15.571 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.192 16.030 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.490 15.004 1.653 1.00 0.00 H new ATOM 701 N PRO A 51 -5.681 17.769 0.918 1.00 0.00 N ATOM 702 CA PRO A 51 -4.384 17.689 0.240 1.00 0.00 C ATOM 703 C PRO A 51 -3.516 16.558 0.781 1.00 0.00 C ATOM 704 O PRO A 51 -2.591 16.099 0.112 1.00 0.00 O ATOM 705 CB PRO A 51 -3.742 19.045 0.540 1.00 0.00 C ATOM 706 CG PRO A 51 -4.384 19.496 1.806 1.00 0.00 C ATOM 707 CD PRO A 51 -5.790 18.965 1.769 1.00 0.00 C ATOM 0 HA PRO A 51 -4.493 17.480 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.662 18.955 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.919 19.754 -0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.846 19.115 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.379 20.583 1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.152 18.717 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.484 19.694 1.350 1.00 0.00 H new ATOM 715 N GLN A 52 -3.822 16.112 1.995 1.00 0.00 N ATOM 716 CA GLN A 52 -3.069 15.034 2.625 1.00 0.00 C ATOM 717 C GLN A 52 -3.035 13.799 1.732 1.00 0.00 C ATOM 718 O GLN A 52 -2.114 12.986 1.814 1.00 0.00 O ATOM 719 CB GLN A 52 -3.681 14.681 3.982 1.00 0.00 C ATOM 720 CG GLN A 52 -2.668 14.165 4.991 1.00 0.00 C ATOM 721 CD GLN A 52 -1.904 15.281 5.674 1.00 0.00 C ATOM 722 OE1 GLN A 52 -2.448 16.357 5.926 1.00 0.00 O ATOM 723 NE2 GLN A 52 -0.636 15.032 5.978 1.00 0.00 N ATOM 0 H GLN A 52 -4.586 16.480 2.562 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.046 15.379 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.171 15.565 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.454 13.926 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.183 13.568 5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.964 13.503 4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.225 14.126 5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.072 15.746 6.439 1.00 0.00 H new ATOM 732 N CYS A 53 -4.046 13.664 0.880 1.00 0.00 N ATOM 733 CA CYS A 53 -4.132 12.526 -0.029 1.00 0.00 C ATOM 734 C CYS A 53 -2.916 12.470 -0.947 1.00 0.00 C ATOM 735 O CYS A 53 -2.635 11.440 -1.559 1.00 0.00 O ATOM 736 CB CYS A 53 -5.412 12.609 -0.862 1.00 0.00 C ATOM 737 SG CYS A 53 -5.518 14.080 -1.908 1.00 0.00 S ATOM 0 H CYS A 53 -4.817 14.328 0.800 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.154 11.615 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.481 11.722 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.271 12.591 -0.191 1.00 0.00 H new ATOM 0 HG CYS A 53 -6.211 14.996 -1.299 1.00 0.00 H new ATOM 743 N ALA A 54 -2.198 13.584 -1.039 1.00 0.00 N ATOM 744 CA ALA A 54 -1.012 13.662 -1.883 1.00 0.00 C ATOM 745 C ALA A 54 0.048 12.663 -1.431 1.00 0.00 C ATOM 746 O ALA A 54 0.333 11.690 -2.129 1.00 0.00 O ATOM 747 CB ALA A 54 -0.447 15.075 -1.871 1.00 0.00 C ATOM 0 H ALA A 54 -2.417 14.446 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.304 13.408 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.438 15.118 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.197 15.770 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.177 15.350 -0.852 1.00 0.00 H new ATOM 753 N GLN A 55 0.628 12.910 -0.262 1.00 0.00 N ATOM 754 CA GLN A 55 1.658 12.032 0.281 1.00 0.00 C ATOM 755 C GLN A 55 1.150 10.598 0.388 1.00 0.00 C ATOM 756 O GLN A 55 1.885 9.648 0.124 1.00 0.00 O ATOM 757 CB GLN A 55 2.111 12.530 1.655 1.00 0.00 C ATOM 758 CG GLN A 55 0.986 12.608 2.674 1.00 0.00 C ATOM 759 CD GLN A 55 1.271 13.602 3.782 1.00 0.00 C ATOM 760 OE1 GLN A 55 1.149 13.283 4.965 1.00 0.00 O ATOM 761 NE2 GLN A 55 1.653 14.817 3.405 1.00 0.00 N ATOM 0 H GLN A 55 0.403 13.711 0.328 1.00 0.00 H new ATOM 0 HA GLN A 55 2.508 12.047 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.889 11.867 2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.560 13.517 1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.062 12.888 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.825 11.621 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.741 15.039 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.858 15.528 4.107 1.00 0.00 H new ATOM 770 N MET A 56 -0.112 10.451 0.778 1.00 0.00 N ATOM 771 CA MET A 56 -0.719 9.133 0.920 1.00 0.00 C ATOM 772 C MET A 56 -0.687 8.375 -0.404 1.00 0.00 C ATOM 773 O MET A 56 -0.600 7.148 -0.425 1.00 0.00 O ATOM 774 CB MET A 56 -2.161 9.262 1.413 1.00 0.00 C ATOM 775 CG MET A 56 -2.275 9.836 2.816 1.00 0.00 C ATOM 776 SD MET A 56 -1.849 8.637 4.094 1.00 0.00 S ATOM 777 CE MET A 56 -0.077 8.875 4.205 1.00 0.00 C ATOM 0 H MET A 56 -0.734 11.228 1.001 1.00 0.00 H new ATOM 0 HA MET A 56 -0.141 8.571 1.654 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.717 9.897 0.723 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.633 8.280 1.392 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.620 10.703 2.904 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.294 10.188 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.430 7.932 4.002 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.237 9.620 3.474 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.182 9.218 5.207 1.00 0.00 H new ATOM 787 N ASN A 57 -0.760 9.114 -1.506 1.00 0.00 N ATOM 788 CA ASN A 57 -0.741 8.511 -2.833 1.00 0.00 C ATOM 789 C ASN A 57 0.665 8.046 -3.199 1.00 0.00 C ATOM 790 O ASN A 57 0.845 6.969 -3.767 1.00 0.00 O ATOM 791 CB ASN A 57 -1.247 9.509 -3.877 1.00 0.00 C ATOM 792 CG ASN A 57 -1.349 8.896 -5.261 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.467 7.680 -5.406 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.302 9.740 -6.285 1.00 0.00 N ATOM 0 H ASN A 57 -0.833 10.131 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.400 7.643 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.226 9.882 -3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.575 10.367 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.365 9.387 -7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.203 10.741 -6.117 1.00 0.00 H new ATOM 801 N GLU A 58 1.659 8.865 -2.868 1.00 0.00 N ATOM 802 CA GLU A 58 3.049 8.536 -3.163 1.00 0.00 C ATOM 803 C GLU A 58 3.499 7.314 -2.368 1.00 0.00 C ATOM 804 O GLU A 58 4.149 6.416 -2.904 1.00 0.00 O ATOM 805 CB GLU A 58 3.956 9.727 -2.845 1.00 0.00 C ATOM 806 CG GLU A 58 3.821 10.875 -3.831 1.00 0.00 C ATOM 807 CD GLU A 58 5.008 11.818 -3.795 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.086 11.435 -4.295 1.00 0.00 O ATOM 809 OE2 GLU A 58 4.859 12.939 -3.266 1.00 0.00 O ATOM 0 H GLU A 58 1.528 9.760 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 58 3.124 8.305 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.726 10.091 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.993 9.390 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.712 10.473 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.911 11.433 -3.610 1.00 0.00 H new ATOM 816 N VAL A 59 3.149 7.287 -1.086 1.00 0.00 N ATOM 817 CA VAL A 59 3.516 6.176 -0.216 1.00 0.00 C ATOM 818 C VAL A 59 3.022 4.849 -0.782 1.00 0.00 C ATOM 819 O VAL A 59 3.721 3.838 -0.720 1.00 0.00 O ATOM 820 CB VAL A 59 2.946 6.361 1.202 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.073 5.073 2.002 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.646 7.510 1.912 1.00 0.00 C ATOM 0 H VAL A 59 2.611 8.022 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 59 4.605 6.162 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 59 1.887 6.606 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.665 5.224 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.521 4.278 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.124 4.794 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.230 7.626 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.713 7.297 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.497 8.431 1.348 1.00 0.00 H new ATOM 832 N MET A 60 1.813 4.861 -1.334 1.00 0.00 N ATOM 833 CA MET A 60 1.226 3.658 -1.913 1.00 0.00 C ATOM 834 C MET A 60 1.960 3.254 -3.187 1.00 0.00 C ATOM 835 O MET A 60 2.344 2.097 -3.353 1.00 0.00 O ATOM 836 CB MET A 60 -0.257 3.883 -2.214 1.00 0.00 C ATOM 837 CG MET A 60 -1.121 3.993 -0.968 1.00 0.00 C ATOM 838 SD MET A 60 -2.806 3.411 -1.237 1.00 0.00 S ATOM 839 CE MET A 60 -3.114 4.022 -2.893 1.00 0.00 C ATOM 0 H MET A 60 1.221 5.690 -1.393 1.00 0.00 H new ATOM 0 HA MET A 60 1.324 2.850 -1.187 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.366 4.794 -2.803 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.623 3.061 -2.829 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.666 3.416 -0.163 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.148 5.032 -0.640 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.187 4.032 -3.083 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.719 5.034 -2.987 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.623 3.372 -3.618 1.00 0.00 H new ATOM 849 N ALA A 61 2.152 4.215 -4.084 1.00 0.00 N ATOM 850 CA ALA A 61 2.842 3.959 -5.343 1.00 0.00 C ATOM 851 C ALA A 61 4.047 3.049 -5.133 1.00 0.00 C ATOM 852 O ALA A 61 4.189 2.028 -5.805 1.00 0.00 O ATOM 853 CB ALA A 61 3.274 5.270 -5.984 1.00 0.00 C ATOM 0 H ALA A 61 1.840 5.178 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 61 2.148 3.451 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.788 5.064 -6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.396 5.887 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.948 5.800 -5.310 1.00 0.00 H new ATOM 859 N GLU A 62 4.912 3.426 -4.196 1.00 0.00 N ATOM 860 CA GLU A 62 6.106 2.642 -3.900 1.00 0.00 C ATOM 861 C GLU A 62 5.733 1.242 -3.423 1.00 0.00 C ATOM 862 O GLU A 62 6.201 0.242 -3.969 1.00 0.00 O ATOM 863 CB GLU A 62 6.954 3.346 -2.839 1.00 0.00 C ATOM 864 CG GLU A 62 7.736 4.534 -3.374 1.00 0.00 C ATOM 865 CD GLU A 62 8.924 4.890 -2.502 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.686 3.973 -2.132 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.092 6.088 -2.190 1.00 0.00 O ATOM 0 H GLU A 62 4.809 4.268 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 62 6.687 2.551 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.304 3.684 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.651 2.628 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.084 4.311 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.074 5.396 -3.449 1.00 0.00 H new ATOM 874 N LEU A 63 4.888 1.177 -2.400 1.00 0.00 N ATOM 875 CA LEU A 63 4.451 -0.100 -1.847 1.00 0.00 C ATOM 876 C LEU A 63 4.111 -1.087 -2.960 1.00 0.00 C ATOM 877 O LEU A 63 4.709 -2.158 -3.057 1.00 0.00 O ATOM 878 CB LEU A 63 3.236 0.103 -0.940 1.00 0.00 C ATOM 879 CG LEU A 63 3.531 0.606 0.473 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.241 0.992 1.182 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.284 -0.449 1.269 1.00 0.00 C ATOM 0 H LEU A 63 4.492 1.994 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 63 5.270 -0.513 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.561 0.810 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.703 -0.844 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 63 4.160 1.493 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.470 1.348 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.741 1.782 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.587 0.123 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.485 -0.073 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.681 -1.354 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.227 -0.677 0.771 1.00 0.00 H new ATOM 893 N ALA A 64 3.147 -0.717 -3.797 1.00 0.00 N ATOM 894 CA ALA A 64 2.730 -1.567 -4.905 1.00 0.00 C ATOM 895 C ALA A 64 3.930 -2.238 -5.564 1.00 0.00 C ATOM 896 O ALA A 64 3.900 -3.432 -5.866 1.00 0.00 O ATOM 897 CB ALA A 64 1.949 -0.756 -5.928 1.00 0.00 C ATOM 0 H ALA A 64 2.640 0.166 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 64 2.083 -2.349 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.644 -1.404 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.065 -0.329 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.578 0.047 -6.313 1.00 0.00 H new ATOM 903 N LYS A 65 4.987 -1.464 -5.786 1.00 0.00 N ATOM 904 CA LYS A 65 6.199 -1.982 -6.410 1.00 0.00 C ATOM 905 C LYS A 65 6.860 -3.033 -5.523 1.00 0.00 C ATOM 906 O LYS A 65 7.246 -4.102 -5.995 1.00 0.00 O ATOM 907 CB LYS A 65 7.182 -0.843 -6.688 1.00 0.00 C ATOM 908 CG LYS A 65 6.553 0.343 -7.399 1.00 0.00 C ATOM 909 CD LYS A 65 7.572 1.093 -8.240 1.00 0.00 C ATOM 910 CE LYS A 65 6.974 2.353 -8.847 1.00 0.00 C ATOM 911 NZ LYS A 65 8.011 3.201 -9.498 1.00 0.00 N ATOM 0 H LYS A 65 5.029 -0.474 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 65 5.920 -2.451 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.610 -0.505 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.005 -1.224 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.739 -0.003 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.117 1.020 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.431 1.357 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.938 0.443 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.216 2.078 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.471 2.927 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.564 4.050 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.721 3.484 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.474 2.662 -10.257 1.00 0.00 H new ATOM 925 N GLU A 66 6.985 -2.722 -4.237 1.00 0.00 N ATOM 926 CA GLU A 66 7.598 -3.640 -3.285 1.00 0.00 C ATOM 927 C GLU A 66 6.785 -4.926 -3.168 1.00 0.00 C ATOM 928 O GLU A 66 7.342 -6.016 -3.025 1.00 0.00 O ATOM 929 CB GLU A 66 7.726 -2.978 -1.912 1.00 0.00 C ATOM 930 CG GLU A 66 8.054 -3.953 -0.794 1.00 0.00 C ATOM 931 CD GLU A 66 9.263 -4.813 -1.106 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.339 -4.243 -1.387 1.00 0.00 O ATOM 933 OE2 GLU A 66 9.135 -6.054 -1.069 1.00 0.00 O ATOM 0 H GLU A 66 6.670 -1.841 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 66 8.593 -3.891 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.503 -2.215 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.792 -2.468 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.236 -3.397 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.192 -4.596 -0.613 1.00 0.00 H new ATOM 940 N LEU A 67 5.465 -4.791 -3.229 1.00 0.00 N ATOM 941 CA LEU A 67 4.573 -5.942 -3.130 1.00 0.00 C ATOM 942 C LEU A 67 3.707 -6.069 -4.379 1.00 0.00 C ATOM 943 O LEU A 67 2.614 -5.509 -4.466 1.00 0.00 O ATOM 944 CB LEU A 67 3.685 -5.818 -1.890 1.00 0.00 C ATOM 945 CG LEU A 67 4.362 -5.275 -0.631 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.330 -4.692 0.321 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.166 -6.370 0.056 1.00 0.00 C ATOM 0 H LEU A 67 4.988 -3.897 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 67 5.186 -6.839 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.843 -5.170 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.274 -6.802 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 67 5.046 -4.479 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.830 -4.311 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.798 -3.879 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.621 -5.468 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.641 -5.966 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.502 -7.188 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.932 -6.741 -0.625 1.00 0.00 H new ATOM 959 N PRO A 68 4.204 -6.825 -5.370 1.00 0.00 N ATOM 960 CA PRO A 68 3.490 -7.045 -6.631 1.00 0.00 C ATOM 961 C PRO A 68 2.254 -7.920 -6.452 1.00 0.00 C ATOM 962 O PRO A 68 1.359 -7.924 -7.297 1.00 0.00 O ATOM 963 CB PRO A 68 4.526 -7.757 -7.504 1.00 0.00 C ATOM 964 CG PRO A 68 5.445 -8.421 -6.538 1.00 0.00 C ATOM 965 CD PRO A 68 5.500 -7.522 -5.334 1.00 0.00 C ATOM 0 HA PRO A 68 3.119 -6.113 -7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.054 -8.484 -8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.062 -7.051 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.079 -9.412 -6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.436 -8.554 -6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.625 -8.091 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.334 -6.823 -5.392 1.00 0.00 H new ATOM 973 N GLN A 69 2.211 -8.657 -5.347 1.00 0.00 N ATOM 974 CA GLN A 69 1.083 -9.535 -5.059 1.00 0.00 C ATOM 975 C GLN A 69 -0.052 -8.763 -4.395 1.00 0.00 C ATOM 976 O GLN A 69 -1.035 -9.350 -3.942 1.00 0.00 O ATOM 977 CB GLN A 69 1.526 -10.690 -4.158 1.00 0.00 C ATOM 978 CG GLN A 69 1.897 -10.254 -2.749 1.00 0.00 C ATOM 979 CD GLN A 69 3.319 -9.739 -2.654 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.099 -9.856 -3.599 1.00 0.00 O ATOM 981 NE2 GLN A 69 3.665 -9.164 -1.508 1.00 0.00 N ATOM 0 H GLN A 69 2.943 -8.664 -4.637 1.00 0.00 H new ATOM 0 HA GLN A 69 0.719 -9.939 -6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.723 -11.425 -4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.383 -11.187 -4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.209 -9.474 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.773 -11.096 -2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.986 -9.088 -0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.609 -8.798 -1.386 1.00 0.00 H new ATOM 990 N VAL A 70 0.090 -7.442 -4.339 1.00 0.00 N ATOM 991 CA VAL A 70 -0.924 -6.589 -3.731 1.00 0.00 C ATOM 992 C VAL A 70 -1.603 -5.712 -4.777 1.00 0.00 C ATOM 993 O VAL A 70 -1.050 -5.464 -5.848 1.00 0.00 O ATOM 994 CB VAL A 70 -0.318 -5.689 -2.638 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.342 -4.674 -2.154 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.197 -6.532 -1.480 1.00 0.00 C ATOM 0 H VAL A 70 0.898 -6.940 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.664 -7.249 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 70 0.524 -5.145 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.896 -4.047 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.659 -4.050 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.206 -5.196 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.622 -5.880 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.626 -7.104 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.965 -7.216 -1.841 1.00 0.00 H new ATOM 1006 N SER A 71 -2.806 -5.245 -4.458 1.00 0.00 N ATOM 1007 CA SER A 71 -3.564 -4.397 -5.372 1.00 0.00 C ATOM 1008 C SER A 71 -3.998 -3.108 -4.682 1.00 0.00 C ATOM 1009 O SER A 71 -4.917 -3.108 -3.862 1.00 0.00 O ATOM 1010 CB SER A 71 -4.790 -5.146 -5.897 1.00 0.00 C ATOM 1011 OG SER A 71 -4.460 -5.935 -7.027 1.00 0.00 O ATOM 0 H SER A 71 -3.277 -5.439 -3.574 1.00 0.00 H new ATOM 0 HA SER A 71 -2.918 -4.140 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.195 -5.783 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.570 -4.432 -6.163 1.00 0.00 H new ATOM 0 HG SER A 71 -4.583 -5.406 -7.843 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.331 -2.009 -5.020 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.646 -0.712 -4.434 1.00 0.00 C ATOM 1019 C PHE A 72 -4.631 0.056 -5.310 1.00 0.00 C ATOM 1020 O PHE A 72 -4.317 0.422 -6.443 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.369 0.109 -4.242 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.436 -0.467 -3.216 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.566 -1.493 -3.549 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.427 0.019 -1.918 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.294 -2.024 -2.607 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.569 -0.509 -0.971 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.293 -1.531 -1.316 1.00 0.00 C ATOM 0 H PHE A 72 -2.568 -1.991 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.109 -0.884 -3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.847 0.183 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.639 1.123 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.560 -1.882 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.098 0.819 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.967 -2.824 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.573 -0.122 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.965 -1.944 -0.578 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.825 0.297 -4.778 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.857 1.022 -5.510 1.00 0.00 C ATOM 1039 C VAL A 73 -7.304 2.262 -4.745 1.00 0.00 C ATOM 1040 O VAL A 73 -7.651 2.187 -3.566 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.082 0.130 -5.783 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.741 -0.950 -6.798 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.593 -0.484 -4.488 1.00 0.00 C ATOM 0 H VAL A 73 -6.102 0.001 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.418 1.324 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.875 0.750 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.619 -1.570 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.427 -0.485 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.932 -1.570 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.459 -1.111 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.807 -1.090 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.880 0.309 -3.798 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.295 3.405 -5.424 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.702 4.663 -4.811 1.00 0.00 C ATOM 1055 C LYS A 74 -9.088 5.079 -5.291 1.00 0.00 C ATOM 1056 O LYS A 74 -9.365 5.084 -6.491 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.687 5.763 -5.133 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.580 6.075 -6.616 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.670 7.265 -6.870 1.00 0.00 C ATOM 1060 CE LYS A 74 -6.084 8.027 -8.119 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.967 8.845 -8.667 1.00 0.00 N ATOM 0 H LYS A 74 -7.010 3.485 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.740 4.517 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.966 6.671 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.707 5.462 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.197 5.203 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.572 6.282 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.695 7.934 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.641 6.921 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.424 7.322 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.928 8.676 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.290 9.349 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.659 9.535 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.171 8.224 -8.914 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.956 5.430 -4.348 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.314 5.849 -4.675 1.00 0.00 C ATOM 1077 C LEU A 75 -11.610 7.231 -4.100 1.00 0.00 C ATOM 1078 O LEU A 75 -11.052 7.619 -3.075 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.326 4.834 -4.140 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.776 5.312 -4.056 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.733 4.138 -4.187 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.017 6.056 -2.750 1.00 0.00 C ATOM 0 H LEU A 75 -9.743 5.433 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.400 5.900 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.293 3.949 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.008 4.524 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.961 5.999 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.760 4.497 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.578 3.647 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.548 3.426 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.054 6.389 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.814 5.392 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.356 6.921 -2.697 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.494 7.967 -4.767 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.865 9.305 -4.321 1.00 0.00 C ATOM 1096 C GLU A 76 -14.153 9.267 -3.504 1.00 0.00 C ATOM 1097 O GLU A 76 -15.197 8.835 -3.991 1.00 0.00 O ATOM 1098 CB GLU A 76 -13.036 10.238 -5.522 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.874 11.709 -5.177 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.349 12.624 -6.289 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.952 12.400 -7.451 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -14.118 13.563 -5.996 1.00 0.00 O ATOM 0 H GLU A 76 -12.966 7.660 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.064 9.685 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.307 9.970 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.024 10.082 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.433 11.929 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.825 11.915 -4.965 1.00 0.00 H new ATOM 1109 N ALA A 77 -14.070 9.724 -2.258 1.00 0.00 N ATOM 1110 CA ALA A 77 -15.228 9.745 -1.374 1.00 0.00 C ATOM 1111 C ALA A 77 -16.354 10.589 -1.962 1.00 0.00 C ATOM 1112 O ALA A 77 -17.520 10.199 -1.921 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.834 10.270 -0.001 1.00 0.00 C ATOM 0 H ALA A 77 -13.213 10.084 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.593 8.723 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.709 10.280 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.069 9.624 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.442 11.282 -0.097 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.995 11.747 -2.508 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.977 12.646 -3.103 1.00 0.00 C ATOM 1121 C GLU A 78 -17.382 12.166 -4.494 1.00 0.00 C ATOM 1122 O GLU A 78 -18.487 12.440 -4.960 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.416 14.067 -3.185 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.283 14.749 -1.834 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.606 15.275 -1.314 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.659 14.755 -1.739 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.589 16.207 -0.482 1.00 0.00 O ATOM 0 H GLU A 78 -15.033 12.084 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.862 12.649 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.437 14.035 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.064 14.668 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.869 14.043 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.575 15.574 -1.916 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.477 11.447 -5.152 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.758 10.941 -6.483 1.00 0.00 C ATOM 1136 C GLY A 79 -17.646 9.713 -6.461 1.00 0.00 C ATOM 1137 O GLY A 79 -18.455 9.506 -7.365 1.00 0.00 O ATOM 0 H GLY A 79 -15.555 11.206 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.239 11.723 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.820 10.698 -6.982 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.494 8.893 -5.425 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.288 7.678 -5.289 1.00 0.00 C ATOM 1143 C VAL A 80 -18.828 7.531 -3.871 1.00 0.00 C ATOM 1144 O VAL A 80 -18.279 6.802 -3.044 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.465 6.426 -5.646 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.360 5.199 -5.713 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.728 6.631 -6.961 1.00 0.00 C ATOM 0 H VAL A 80 -16.828 9.049 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.122 7.765 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.725 6.263 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.760 4.325 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.837 5.044 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.125 5.348 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.151 5.737 -7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.449 6.820 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.055 7.484 -6.872 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.930 8.238 -3.581 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.569 8.201 -2.262 1.00 0.00 C ATOM 1159 C PRO A 81 -21.236 6.860 -1.978 1.00 0.00 C ATOM 1160 O PRO A 81 -21.354 6.447 -0.825 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.619 9.313 -2.346 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.920 9.440 -3.799 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.637 9.126 -4.518 1.00 0.00 C ATOM 0 HA PRO A 81 -19.848 8.336 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.513 9.057 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.238 10.249 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.711 8.751 -4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.266 10.445 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.822 8.636 -5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.063 10.028 -4.728 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.671 6.184 -3.037 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.327 4.889 -2.900 1.00 0.00 C ATOM 1173 C GLU A 82 -21.565 3.994 -1.926 1.00 0.00 C ATOM 1174 O GLU A 82 -22.131 3.489 -0.956 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.437 4.201 -4.262 1.00 0.00 C ATOM 1176 CG GLU A 82 -22.984 2.785 -4.187 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.428 2.742 -3.726 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.213 3.617 -4.148 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -24.774 1.832 -2.944 1.00 0.00 O ATOM 0 H GLU A 82 -21.581 6.512 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.329 5.058 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.081 4.796 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.452 4.177 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.905 2.317 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.370 2.198 -3.503 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.277 3.801 -2.192 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.436 2.968 -1.341 1.00 0.00 C ATOM 1188 C VAL A 83 -19.217 3.619 0.020 1.00 0.00 C ATOM 1189 O VAL A 83 -19.341 2.969 1.058 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.068 2.698 -1.994 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.173 1.906 -1.053 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.245 1.967 -3.317 1.00 0.00 C ATOM 0 H VAL A 83 -19.793 4.211 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.960 2.021 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.586 3.655 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.211 1.725 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.020 2.472 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.646 0.953 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.268 1.784 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.748 1.016 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.845 2.577 -3.992 1.00 0.00 H new ATOM 1202 N SER A 84 -18.892 4.908 0.009 1.00 0.00 N ATOM 1203 CA SER A 84 -18.653 5.647 1.243 1.00 0.00 C ATOM 1204 C SER A 84 -19.832 5.504 2.199 1.00 0.00 C ATOM 1205 O SER A 84 -19.657 5.471 3.417 1.00 0.00 O ATOM 1206 CB SER A 84 -18.406 7.126 0.937 1.00 0.00 C ATOM 1207 OG SER A 84 -17.442 7.280 -0.091 1.00 0.00 O ATOM 0 H SER A 84 -18.788 5.462 -0.841 1.00 0.00 H new ATOM 0 HA SER A 84 -17.767 5.229 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.341 7.600 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.065 7.635 1.839 1.00 0.00 H new ATOM 0 HG SER A 84 -17.883 7.221 -0.964 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.035 5.420 1.638 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.244 5.281 2.441 1.00 0.00 C ATOM 1215 C GLU A 85 -22.261 3.942 3.172 1.00 0.00 C ATOM 1216 O GLU A 85 -22.308 3.893 4.401 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.487 5.409 1.558 1.00 0.00 C ATOM 1218 CG GLU A 85 -23.900 6.847 1.293 1.00 0.00 C ATOM 1219 CD GLU A 85 -23.891 7.697 2.548 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -24.119 7.142 3.643 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -23.655 8.918 2.435 1.00 0.00 O ATOM 0 H GLU A 85 -21.198 5.446 0.631 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.251 6.080 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.299 4.913 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.315 4.884 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -23.226 7.285 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.899 6.860 0.857 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.223 2.857 2.407 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.233 1.516 2.979 1.00 0.00 C ATOM 1230 C LYS A 86 -21.292 1.428 4.176 1.00 0.00 C ATOM 1231 O LYS A 86 -21.709 1.080 5.281 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.829 0.485 1.922 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.782 -0.939 2.449 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.764 -1.779 1.695 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.170 -3.244 1.656 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.657 -3.993 2.837 1.00 0.00 N ATOM 0 H LYS A 86 -22.185 2.880 1.388 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.246 1.301 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.533 0.533 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.849 0.749 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.531 -0.927 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.768 -1.394 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.661 -1.402 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.788 -1.683 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.257 -3.319 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.791 -3.702 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.955 -4.987 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.618 -3.943 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.039 -3.572 3.708 1.00 0.00 H new ATOM 1250 N TYR A 87 -20.023 1.746 3.950 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.023 1.702 5.010 1.00 0.00 C ATOM 1252 C TYR A 87 -19.096 2.952 5.880 1.00 0.00 C ATOM 1253 O TYR A 87 -18.534 2.994 6.974 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.621 1.564 4.412 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.421 0.288 3.626 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.702 0.236 2.266 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.950 -0.864 4.242 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.521 -0.928 1.544 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.765 -2.032 3.528 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.052 -2.059 2.179 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.869 -3.219 1.463 1.00 0.00 O ATOM 0 H TYR A 87 -19.662 2.037 3.042 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.231 0.834 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.427 2.416 3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.886 1.604 5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -18.068 1.120 1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.724 -0.846 5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.746 -0.952 0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.398 -2.919 4.023 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.957 -3.549 1.602 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.794 3.970 5.385 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.941 5.222 6.118 1.00 0.00 C ATOM 1273 C GLU A 88 -18.588 5.898 6.317 1.00 0.00 C ATOM 1274 O GLU A 88 -18.289 6.406 7.398 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.603 4.971 7.474 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.889 4.167 7.384 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.198 3.416 8.665 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.357 4.072 9.715 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.281 2.171 8.616 1.00 0.00 O ATOM 0 H GLU A 88 -20.266 3.952 4.481 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.576 5.885 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.900 4.445 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.816 5.929 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.717 4.837 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.812 3.457 6.560 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.773 5.900 5.267 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.452 6.513 5.326 1.00 0.00 C ATOM 1288 C ILE A 89 -16.546 8.031 5.216 1.00 0.00 C ATOM 1289 O ILE A 89 -16.417 8.594 4.129 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.535 5.984 4.208 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.288 4.484 4.388 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.218 6.745 4.198 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.311 4.162 5.497 1.00 0.00 C ATOM 0 H ILE A 89 -18.005 5.484 4.365 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.023 6.247 6.292 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.029 6.140 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.237 3.990 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.912 4.071 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.581 6.359 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.411 7.804 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.717 6.618 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.184 3.082 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.349 4.627 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.695 4.545 6.443 1.00 0.00 H new ATOM 1305 N SER A 90 -16.769 8.689 6.349 1.00 0.00 N ATOM 1306 CA SER A 90 -16.881 10.142 6.380 1.00 0.00 C ATOM 1307 C SER A 90 -15.607 10.774 6.932 1.00 0.00 C ATOM 1308 O SER A 90 -15.660 11.725 7.711 1.00 0.00 O ATOM 1309 CB SER A 90 -18.082 10.564 7.229 1.00 0.00 C ATOM 1310 OG SER A 90 -19.281 10.520 6.474 1.00 0.00 O ATOM 0 H SER A 90 -16.876 8.238 7.258 1.00 0.00 H new ATOM 0 HA SER A 90 -17.026 10.492 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.169 9.906 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.925 11.573 7.610 1.00 0.00 H new ATOM 0 HG SER A 90 -20.034 10.792 7.039 1.00 0.00 H new ATOM 1316 N SER A 91 -14.462 10.238 6.521 1.00 0.00 N ATOM 1317 CA SER A 91 -13.173 10.746 6.976 1.00 0.00 C ATOM 1318 C SER A 91 -12.063 10.360 6.003 1.00 0.00 C ATOM 1319 O SER A 91 -11.999 9.223 5.535 1.00 0.00 O ATOM 1320 CB SER A 91 -12.853 10.208 8.372 1.00 0.00 C ATOM 1321 OG SER A 91 -12.764 8.793 8.365 1.00 0.00 O ATOM 0 H SER A 91 -14.401 9.452 5.874 1.00 0.00 H new ATOM 0 HA SER A 91 -13.233 11.834 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.912 10.633 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.626 10.524 9.073 1.00 0.00 H new ATOM 0 HG SER A 91 -12.557 8.474 9.268 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.190 11.317 5.702 1.00 0.00 N ATOM 1328 CA VAL A 92 -10.081 11.079 4.786 1.00 0.00 C ATOM 1329 C VAL A 92 -8.839 11.851 5.215 1.00 0.00 C ATOM 1330 O VAL A 92 -8.920 12.912 5.834 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.449 11.478 3.344 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.564 10.591 2.813 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.847 12.945 3.283 1.00 0.00 C ATOM 0 H VAL A 92 -11.230 12.264 6.079 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.869 10.010 4.816 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.573 11.337 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.811 10.888 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.236 9.551 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.446 10.697 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.104 13.210 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.709 13.115 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.014 13.562 3.620 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.659 11.309 4.877 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.550 10.047 4.140 1.00 0.00 C ATOM 1345 C PRO A 93 -7.973 8.846 4.980 1.00 0.00 C ATOM 1346 O PRO A 93 -7.999 8.913 6.209 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.060 9.963 3.798 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.385 10.777 4.847 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.341 11.886 5.190 1.00 0.00 C ATOM 0 HA PRO A 93 -8.203 10.027 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.708 8.931 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.860 10.356 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.158 10.172 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.439 11.176 4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.266 12.171 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.145 12.782 4.602 1.00 0.00 H new ATOM 1357 N THR A 94 -8.302 7.747 4.309 1.00 0.00 N ATOM 1358 CA THR A 94 -8.724 6.531 4.994 1.00 0.00 C ATOM 1359 C THR A 94 -8.529 5.306 4.109 1.00 0.00 C ATOM 1360 O THR A 94 -9.083 5.224 3.013 1.00 0.00 O ATOM 1361 CB THR A 94 -10.202 6.611 5.421 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.365 7.609 6.435 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.688 5.267 5.942 1.00 0.00 C ATOM 0 H THR A 94 -8.284 7.674 3.292 1.00 0.00 H new ATOM 0 HA THR A 94 -8.101 6.437 5.883 1.00 0.00 H new ATOM 0 HB THR A 94 -10.796 6.880 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.007 8.283 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.734 5.348 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.589 4.516 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.089 4.973 6.804 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.737 4.353 4.592 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.468 3.131 3.844 1.00 0.00 C ATOM 1373 C PHE A 95 -8.355 1.988 4.332 1.00 0.00 C ATOM 1374 O PHE A 95 -8.776 1.965 5.489 1.00 0.00 O ATOM 1375 CB PHE A 95 -5.995 2.740 3.976 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.047 3.838 3.586 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.705 4.830 4.491 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.498 3.878 2.314 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.832 5.841 4.135 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.624 4.886 1.953 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.292 5.870 2.864 1.00 0.00 C ATOM 0 H PHE A 95 -7.271 4.404 5.498 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.694 3.320 2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.796 2.448 5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.802 1.866 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.125 4.813 5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.756 3.113 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.572 6.608 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.201 4.904 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.612 6.660 2.583 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.634 1.043 3.442 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.470 -0.104 3.780 1.00 0.00 C ATOM 1393 C LEU A 96 -8.912 -1.385 3.169 1.00 0.00 C ATOM 1394 O LEU A 96 -9.005 -1.600 1.960 1.00 0.00 O ATOM 1395 CB LEU A 96 -10.903 0.125 3.294 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.827 0.870 4.258 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.166 1.159 3.597 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.024 0.068 5.536 1.00 0.00 C ATOM 0 H LEU A 96 -8.294 1.048 2.480 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.473 -0.213 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.863 0.681 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.349 -0.844 3.071 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.360 1.820 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.811 1.690 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.009 1.774 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.639 0.221 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.684 0.614 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.469 -0.897 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.060 -0.088 6.020 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.334 -2.234 4.012 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.762 -3.495 3.555 1.00 0.00 C ATOM 1412 C PHE A 97 -8.849 -4.548 3.365 1.00 0.00 C ATOM 1413 O PHE A 97 -9.458 -5.010 4.331 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.718 -3.997 4.555 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.576 -3.044 4.759 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -5.688 -1.987 5.648 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.389 -3.204 4.061 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -4.638 -1.109 5.839 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.336 -2.329 4.248 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.461 -1.279 5.137 1.00 0.00 C ATOM 0 H PHE A 97 -8.249 -2.072 5.015 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.279 -3.320 2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.203 -4.180 5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.325 -4.953 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.607 -1.848 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.286 -4.022 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.738 -0.291 6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.416 -2.466 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.640 -0.593 5.283 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.088 -4.923 2.113 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.103 -5.921 1.794 1.00 0.00 C ATOM 1432 C PHE A 98 -9.459 -7.214 1.303 1.00 0.00 C ATOM 1433 O PHE A 98 -8.758 -7.228 0.291 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.064 -5.381 0.732 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.997 -4.324 1.250 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -12.967 -4.637 2.188 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.904 -3.018 0.797 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.827 -3.667 2.667 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.761 -2.043 1.273 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.725 -2.368 2.207 1.00 0.00 C ATOM 0 H PHE A 98 -8.593 -4.551 1.302 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.663 -6.137 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.485 -4.970 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.651 -6.207 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.052 -5.651 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.154 -2.759 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.578 -3.924 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.677 -1.028 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.398 -1.608 2.577 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.702 -8.301 2.029 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.147 -9.601 1.669 1.00 0.00 C ATOM 1452 C LYS A 99 -10.249 -10.558 1.225 1.00 0.00 C ATOM 1453 O LYS A 99 -11.226 -10.770 1.942 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.384 -10.198 2.853 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.261 -11.135 2.443 1.00 0.00 C ATOM 1456 CD LYS A 99 -5.990 -10.370 2.113 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.763 -11.265 2.200 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.726 -12.266 1.099 1.00 0.00 N ATOM 0 H LYS A 99 -10.279 -8.307 2.870 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.458 -9.457 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.969 -9.388 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.084 -10.740 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.063 -11.842 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.571 -11.719 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.066 -9.951 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.880 -9.531 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.863 -10.651 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.758 -11.781 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.875 -12.856 1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.572 -12.869 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.705 -11.774 0.183 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.083 -11.135 0.039 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.064 -12.070 -0.499 1.00 0.00 C ATOM 1474 C ASN A 100 -12.471 -11.487 -0.423 1.00 0.00 C ATOM 1475 O ASN A 100 -13.444 -12.212 -0.210 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.007 -13.396 0.263 1.00 0.00 C ATOM 1477 CG ASN A 100 -9.971 -14.346 -0.306 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -10.221 -15.035 -1.295 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -8.799 -14.387 0.318 1.00 0.00 N ATOM 0 H ASN A 100 -9.279 -10.972 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.821 -12.250 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.780 -13.200 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.987 -13.872 0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.063 -15.007 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.635 -13.798 1.135 1.00 0.00 H new ATOM 1486 N SER A 101 -12.572 -10.174 -0.599 1.00 0.00 N ATOM 1487 CA SER A 101 -13.860 -9.492 -0.547 1.00 0.00 C ATOM 1488 C SER A 101 -14.384 -9.428 0.885 1.00 0.00 C ATOM 1489 O SER A 101 -15.592 -9.465 1.117 1.00 0.00 O ATOM 1490 CB SER A 101 -14.875 -10.206 -1.442 1.00 0.00 C ATOM 1491 OG SER A 101 -16.002 -9.384 -1.692 1.00 0.00 O ATOM 0 H SER A 101 -11.777 -9.561 -0.779 1.00 0.00 H new ATOM 0 HA SER A 101 -13.719 -8.474 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.403 -10.479 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.195 -11.133 -0.966 1.00 0.00 H new ATOM 0 HG SER A 101 -16.349 -9.038 -0.843 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.465 -9.332 1.840 1.00 0.00 N ATOM 1498 CA GLN A 102 -13.833 -9.264 3.249 1.00 0.00 C ATOM 1499 C GLN A 102 -12.843 -8.406 4.030 1.00 0.00 C ATOM 1500 O GLN A 102 -11.675 -8.766 4.178 1.00 0.00 O ATOM 1501 CB GLN A 102 -13.894 -10.669 3.851 1.00 0.00 C ATOM 1502 CG GLN A 102 -14.977 -11.545 3.242 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.374 -11.101 3.630 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -16.573 -9.980 4.100 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.350 -11.979 3.434 1.00 0.00 N ATOM 0 H GLN A 102 -12.461 -9.300 1.664 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.819 -8.804 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -12.927 -11.155 3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.065 -10.588 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -14.883 -11.530 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.826 -12.577 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.139 -12.897 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.311 -11.736 3.675 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.316 -7.269 4.528 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.473 -6.359 5.295 1.00 0.00 C ATOM 1516 C LYS A 103 -11.783 -7.092 6.441 1.00 0.00 C ATOM 1517 O LYS A 103 -12.424 -7.824 7.197 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.308 -5.201 5.845 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.474 -4.020 6.314 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.350 -2.884 6.816 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.016 -3.235 8.137 1.00 0.00 C ATOM 1522 NZ LYS A 103 -14.802 -2.094 8.683 1.00 0.00 N ATOM 0 H LYS A 103 -14.280 -6.955 4.414 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.707 -5.963 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.999 -4.863 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.912 -5.562 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.802 -4.341 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.850 -3.665 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.746 -1.985 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.113 -2.656 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.673 -4.094 7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.256 -3.531 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.240 -2.374 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.171 -1.283 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.544 -1.828 8.005 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.476 -6.891 6.564 1.00 0.00 N ATOM 1537 CA ILE A 104 -9.701 -7.531 7.619 1.00 0.00 C ATOM 1538 C ILE A 104 -9.048 -6.494 8.528 1.00 0.00 C ATOM 1539 O ILE A 104 -8.875 -6.724 9.725 1.00 0.00 O ATOM 1540 CB ILE A 104 -8.608 -8.448 7.038 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -7.655 -7.644 6.152 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.237 -9.588 6.251 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.350 -8.355 5.867 1.00 0.00 C ATOM 0 H ILE A 104 -9.931 -6.290 5.946 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.398 -8.134 8.201 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.035 -8.874 7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.151 -7.420 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.442 -6.690 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.452 -10.227 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.879 -10.174 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -9.831 -9.181 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -5.724 -7.726 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.832 -8.555 6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.553 -9.297 5.357 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.689 -5.353 7.951 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.058 -4.279 8.709 1.00 0.00 C ATOM 1557 C ASP A 105 -8.343 -2.923 8.070 1.00 0.00 C ATOM 1558 O ASP A 105 -8.477 -2.816 6.851 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.548 -4.507 8.797 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.934 -3.849 10.018 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.691 -3.501 10.948 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -4.696 -3.682 10.042 1.00 0.00 O ATOM 0 H ASP A 105 -8.824 -5.148 6.961 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.478 -4.283 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.346 -5.578 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.071 -4.116 7.898 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.436 -1.890 8.902 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.708 -0.542 8.419 1.00 0.00 C ATOM 1569 C ARG A 106 -7.730 0.460 9.025 1.00 0.00 C ATOM 1570 O ARG A 106 -7.339 0.338 10.187 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.144 -0.137 8.756 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.393 1.360 8.662 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.448 1.813 9.658 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.780 1.861 9.061 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.904 1.756 9.761 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.857 1.597 11.076 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -15.078 1.809 9.145 1.00 0.00 N ATOM 0 H ARG A 106 -8.327 -1.962 9.914 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.581 -0.538 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.826 -0.653 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.380 -0.473 9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.463 1.897 8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.712 1.614 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.457 1.134 10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.186 2.800 10.040 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.851 1.982 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.956 1.555 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.722 1.517 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -15.118 1.930 8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -15.941 1.728 9.683 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.338 1.451 8.231 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.405 2.474 8.689 1.00 0.00 C ATOM 1593 C LEU A 107 -7.016 3.866 8.557 1.00 0.00 C ATOM 1594 O LEU A 107 -7.196 4.373 7.450 1.00 0.00 O ATOM 1595 CB LEU A 107 -5.102 2.399 7.891 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.858 2.959 8.581 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.617 2.690 7.745 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -4.018 4.450 8.839 1.00 0.00 C ATOM 0 H LEU A 107 -7.652 1.567 7.267 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.190 2.289 9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.914 1.355 7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.244 2.934 6.952 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.740 2.455 9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.742 3.096 8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.494 1.615 7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.725 3.166 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.123 4.832 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.162 4.970 7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.884 4.618 9.480 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.330 4.479 9.693 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.917 5.813 9.705 1.00 0.00 C ATOM 1612 C ASP A 108 -6.886 6.857 10.123 1.00 0.00 C ATOM 1613 O ASP A 108 -6.260 6.740 11.176 1.00 0.00 O ATOM 1614 CB ASP A 108 -9.117 5.857 10.652 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.478 7.271 11.064 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -9.703 8.112 10.169 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -9.535 7.536 12.283 1.00 0.00 O ATOM 0 H ASP A 108 -7.188 4.073 10.618 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.253 6.044 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.976 5.392 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.896 5.268 11.542 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.713 7.878 9.289 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.755 8.927 9.588 1.00 0.00 C ATOM 1624 C GLY A 109 -4.509 8.836 8.730 1.00 0.00 C ATOM 1625 O GLY A 109 -3.836 7.806 8.708 1.00 0.00 O ATOM 0 H GLY A 109 -7.219 7.998 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.226 9.898 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.473 8.869 10.639 1.00 0.00 H new ATOM 1629 N ALA A 110 -4.201 9.917 8.021 1.00 0.00 N ATOM 1630 CA ALA A 110 -3.027 9.956 7.158 1.00 0.00 C ATOM 1631 C ALA A 110 -1.780 9.501 7.907 1.00 0.00 C ATOM 1632 O ALA A 110 -1.254 10.223 8.755 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.828 11.357 6.600 1.00 0.00 C ATOM 0 H ALA A 110 -4.748 10.778 8.027 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.193 9.267 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.948 11.371 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.705 11.646 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.689 12.060 7.422 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.310 8.298 7.590 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.123 7.747 8.234 1.00 0.00 C ATOM 1641 C HIS A 111 0.811 7.117 7.205 1.00 0.00 C ATOM 1642 O HIS A 111 0.433 6.183 6.499 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.522 6.706 9.281 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.176 7.296 10.493 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.526 8.149 11.359 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.431 7.153 10.979 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.352 8.504 12.327 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.515 7.913 12.120 1.00 0.00 N ATOM 0 H HIS A 111 -1.733 7.687 6.891 1.00 0.00 H new ATOM 0 HA HIS A 111 0.405 8.564 8.726 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.202 5.986 8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.366 6.154 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.220 6.553 10.550 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.116 9.165 13.148 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.341 8.006 12.711 1.00 0.00 H new ATOM 1657 N ALA A 112 2.031 7.637 7.125 1.00 0.00 N ATOM 1658 CA ALA A 112 3.019 7.125 6.183 1.00 0.00 C ATOM 1659 C ALA A 112 3.483 5.727 6.579 1.00 0.00 C ATOM 1660 O ALA A 112 3.335 4.763 5.829 1.00 0.00 O ATOM 1661 CB ALA A 112 4.207 8.073 6.097 1.00 0.00 C ATOM 0 H ALA A 112 2.359 8.412 7.701 1.00 0.00 H new ATOM 0 HA ALA A 112 2.549 7.059 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.937 7.678 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.867 9.052 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.668 8.168 7.080 1.00 0.00 H new ATOM 1667 N PRO A 113 4.058 5.613 7.785 1.00 0.00 N ATOM 1668 CA PRO A 113 4.555 4.337 8.308 1.00 0.00 C ATOM 1669 C PRO A 113 3.426 3.370 8.646 1.00 0.00 C ATOM 1670 O PRO A 113 3.462 2.201 8.264 1.00 0.00 O ATOM 1671 CB PRO A 113 5.309 4.743 9.576 1.00 0.00 C ATOM 1672 CG PRO A 113 4.678 6.024 10.000 1.00 0.00 C ATOM 1673 CD PRO A 113 4.267 6.722 8.732 1.00 0.00 C ATOM 0 HA PRO A 113 5.171 3.810 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.218 3.982 10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.373 4.872 9.379 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.816 5.841 10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.378 6.633 10.572 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.358 7.308 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.038 7.409 8.383 1.00 0.00 H new ATOM 1681 N GLU A 114 2.423 3.866 9.365 1.00 0.00 N ATOM 1682 CA GLU A 114 1.283 3.044 9.754 1.00 0.00 C ATOM 1683 C GLU A 114 0.716 2.296 8.552 1.00 0.00 C ATOM 1684 O GLU A 114 0.269 1.154 8.670 1.00 0.00 O ATOM 1685 CB GLU A 114 0.194 3.911 10.390 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.711 3.149 11.343 1.00 0.00 C ATOM 1687 CD GLU A 114 0.043 2.558 12.518 1.00 0.00 C ATOM 1688 OE1 GLU A 114 0.395 3.321 13.441 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.282 1.332 12.514 1.00 0.00 O ATOM 0 H GLU A 114 2.377 4.832 9.689 1.00 0.00 H new ATOM 0 HA GLU A 114 1.628 2.313 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.665 4.733 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.414 4.353 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.487 3.818 11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.213 2.349 10.799 1.00 0.00 H new ATOM 1696 N LEU A 115 0.736 2.948 7.394 1.00 0.00 N ATOM 1697 CA LEU A 115 0.223 2.346 6.168 1.00 0.00 C ATOM 1698 C LEU A 115 1.078 1.155 5.747 1.00 0.00 C ATOM 1699 O LEU A 115 0.587 0.031 5.638 1.00 0.00 O ATOM 1700 CB LEU A 115 0.184 3.383 5.045 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.422 2.916 3.721 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.863 2.474 3.919 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.339 4.020 2.677 1.00 0.00 C ATOM 0 H LEU A 115 1.102 3.893 7.279 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.789 1.992 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.380 4.247 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.202 3.723 4.856 1.00 0.00 H new ATOM 0 HG LEU A 115 0.152 2.061 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.277 2.145 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.896 1.651 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.450 3.309 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.775 3.670 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.887 4.894 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.705 4.288 2.513 1.00 0.00 H new ATOM 1715 N THR A 116 2.362 1.408 5.513 1.00 0.00 N ATOM 1716 CA THR A 116 3.287 0.358 5.105 1.00 0.00 C ATOM 1717 C THR A 116 3.187 -0.851 6.029 1.00 0.00 C ATOM 1718 O THR A 116 3.147 -1.993 5.571 1.00 0.00 O ATOM 1719 CB THR A 116 4.742 0.864 5.094 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.883 1.928 4.147 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.703 -0.263 4.747 1.00 0.00 C ATOM 0 H THR A 116 2.785 2.332 5.599 1.00 0.00 H new ATOM 0 HA THR A 116 3.006 0.063 4.094 1.00 0.00 H new ATOM 0 HB THR A 116 4.984 1.232 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.810 2.245 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.724 0.117 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.613 -1.058 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.461 -0.657 3.760 1.00 0.00 H new ATOM 1729 N LYS A 117 3.148 -0.592 7.332 1.00 0.00 N ATOM 1730 CA LYS A 117 3.052 -1.659 8.321 1.00 0.00 C ATOM 1731 C LYS A 117 1.879 -2.584 8.011 1.00 0.00 C ATOM 1732 O LYS A 117 2.060 -3.783 7.796 1.00 0.00 O ATOM 1733 CB LYS A 117 2.893 -1.069 9.724 1.00 0.00 C ATOM 1734 CG LYS A 117 4.193 -0.558 10.320 1.00 0.00 C ATOM 1735 CD LYS A 117 3.942 0.498 11.384 1.00 0.00 C ATOM 1736 CE LYS A 117 3.347 -0.112 12.644 1.00 0.00 C ATOM 1737 NZ LYS A 117 3.621 0.723 13.846 1.00 0.00 N ATOM 0 H LYS A 117 3.181 0.348 7.727 1.00 0.00 H new ATOM 0 HA LYS A 117 3.972 -2.242 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.174 -0.250 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.475 -1.829 10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.746 -1.390 10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.816 -0.139 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.878 1.000 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.266 1.258 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.270 -0.226 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.758 -1.110 12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.200 0.274 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.648 0.811 13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.207 1.668 13.714 1.00 0.00 H new ATOM 1751 N LYS A 118 0.676 -2.020 7.989 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.527 -2.792 7.703 1.00 0.00 C ATOM 1753 C LYS A 118 -0.407 -3.509 6.362 1.00 0.00 C ATOM 1754 O LYS A 118 -0.804 -4.666 6.227 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.755 -1.879 7.698 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.375 -1.686 9.071 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.386 -0.552 9.071 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.970 -0.326 10.458 1.00 0.00 C ATOM 1759 NZ LYS A 118 -5.143 -1.207 10.715 1.00 0.00 N ATOM 0 H LYS A 118 0.508 -1.030 8.166 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.643 -3.541 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.472 -0.906 7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.505 -2.296 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.862 -2.609 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.591 -1.476 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.908 0.363 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.189 -0.779 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.203 -0.513 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.269 0.717 10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.654 -0.868 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.779 -1.188 9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.817 -2.181 10.878 1.00 0.00 H new ATOM 1773 N VAL A 119 0.144 -2.814 5.372 1.00 0.00 N ATOM 1774 CA VAL A 119 0.319 -3.384 4.042 1.00 0.00 C ATOM 1775 C VAL A 119 1.173 -4.646 4.093 1.00 0.00 C ATOM 1776 O VAL A 119 0.709 -5.735 3.754 1.00 0.00 O ATOM 1777 CB VAL A 119 0.971 -2.375 3.079 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.131 -2.984 1.694 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.153 -1.094 3.016 1.00 0.00 C ATOM 0 H VAL A 119 0.477 -1.855 5.466 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.675 -3.636 3.673 1.00 0.00 H new ATOM 0 HB VAL A 119 1.963 -2.128 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.593 -2.256 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.762 -3.870 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.152 -3.263 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.628 -0.392 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.853 -1.322 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.096 -0.649 4.010 1.00 0.00 H new ATOM 1789 N GLN A 120 2.422 -4.492 4.519 1.00 0.00 N ATOM 1790 CA GLN A 120 3.342 -5.619 4.614 1.00 0.00 C ATOM 1791 C GLN A 120 2.704 -6.779 5.373 1.00 0.00 C ATOM 1792 O GLN A 120 2.639 -7.901 4.870 1.00 0.00 O ATOM 1793 CB GLN A 120 4.637 -5.192 5.307 1.00 0.00 C ATOM 1794 CG GLN A 120 5.348 -4.042 4.611 1.00 0.00 C ATOM 1795 CD GLN A 120 6.564 -3.560 5.377 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.523 -3.408 6.598 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.656 -3.316 4.662 1.00 0.00 N ATOM 0 H GLN A 120 2.820 -3.597 4.804 1.00 0.00 H new ATOM 0 HA GLN A 120 3.573 -5.953 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.412 -4.901 6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.311 -6.047 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.653 -4.359 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.652 -3.213 4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.646 -3.456 3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.505 -2.989 5.123 1.00 0.00 H new ATOM 1806 N ARG A 121 2.235 -6.500 6.584 1.00 0.00 N ATOM 1807 CA ARG A 121 1.604 -7.520 7.413 1.00 0.00 C ATOM 1808 C ARG A 121 0.532 -8.271 6.628 1.00 0.00 C ATOM 1809 O ARG A 121 0.579 -9.496 6.508 1.00 0.00 O ATOM 1810 CB ARG A 121 0.987 -6.885 8.660 1.00 0.00 C ATOM 1811 CG ARG A 121 0.242 -7.873 9.542 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.823 -7.181 10.378 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.131 -7.925 11.597 1.00 0.00 N ATOM 1814 CZ ARG A 121 -1.852 -7.431 12.597 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -2.337 -6.199 12.523 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -2.091 -8.169 13.673 1.00 0.00 N ATOM 0 H ARG A 121 2.280 -5.576 7.013 1.00 0.00 H new ATOM 0 HA ARG A 121 2.372 -8.231 7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.776 -6.412 9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.301 -6.095 8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.222 -8.639 8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.949 -8.381 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.483 -6.179 10.641 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.730 -7.065 9.785 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.773 -8.876 11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.157 -5.629 11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.890 -5.822 13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.721 -9.118 13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.645 -7.788 14.440 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.434 -7.529 6.097 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.518 -8.124 5.324 1.00 0.00 C ATOM 1832 C HIS A 122 -1.000 -8.681 4.001 1.00 0.00 C ATOM 1833 O HIS A 122 -1.728 -9.354 3.272 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.613 -7.090 5.061 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.153 -6.460 6.308 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.507 -7.186 7.426 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.399 -5.164 6.610 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.948 -6.364 8.361 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.892 -5.131 7.892 1.00 0.00 N ATOM 0 H HIS A 122 -0.488 -6.515 6.188 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.937 -8.946 5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.216 -6.310 4.412 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.431 -7.568 4.522 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.238 -4.314 5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.295 -6.652 9.342 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.170 -4.291 8.399 1.00 0.00 H new ATOM 1848 N ALA A 123 0.262 -8.394 3.698 1.00 0.00 N ATOM 1849 CA ALA A 123 0.877 -8.867 2.464 1.00 0.00 C ATOM 1850 C ALA A 123 1.761 -10.083 2.722 1.00 0.00 C ATOM 1851 O ALA A 123 2.554 -10.478 1.867 1.00 0.00 O ATOM 1852 CB ALA A 123 1.686 -7.752 1.816 1.00 0.00 C ATOM 0 H ALA A 123 0.878 -7.837 4.290 1.00 0.00 H new ATOM 0 HA ALA A 123 0.081 -9.167 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.140 -8.119 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.030 -6.912 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.469 -7.425 2.501 1.00 0.00 H new ATOM 1858 N SER A 124 1.620 -10.671 3.905 1.00 0.00 N ATOM 1859 CA SER A 124 2.409 -11.839 4.278 1.00 0.00 C ATOM 1860 C SER A 124 3.880 -11.635 3.926 1.00 0.00 C ATOM 1861 O SER A 124 4.566 -12.571 3.515 1.00 0.00 O ATOM 1862 CB SER A 124 1.873 -13.088 3.575 1.00 0.00 C ATOM 1863 OG SER A 124 0.849 -13.702 4.337 1.00 0.00 O ATOM 0 H SER A 124 0.966 -10.358 4.622 1.00 0.00 H new ATOM 0 HA SER A 124 2.326 -11.974 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.487 -12.818 2.592 1.00 0.00 H new ATOM 0 HB3 SER A 124 2.686 -13.796 3.415 1.00 0.00 H new ATOM 0 HG SER A 124 0.522 -14.497 3.866 1.00 0.00 H new ATOM 1869 N SER A 125 4.357 -10.406 4.092 1.00 0.00 N ATOM 1870 CA SER A 125 5.745 -10.077 3.790 1.00 0.00 C ATOM 1871 C SER A 125 6.495 -9.669 5.054 1.00 0.00 C ATOM 1872 O SER A 125 5.905 -9.143 5.997 1.00 0.00 O ATOM 1873 CB SER A 125 5.810 -8.948 2.758 1.00 0.00 C ATOM 1874 OG SER A 125 5.451 -7.706 3.338 1.00 0.00 O ATOM 0 H SER A 125 3.803 -9.621 4.434 1.00 0.00 H new ATOM 0 HA SER A 125 6.222 -10.966 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.818 -8.884 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.141 -9.172 1.927 1.00 0.00 H new ATOM 0 HG SER A 125 4.640 -7.819 3.876 1.00 0.00 H new ATOM 1880 N GLY A 126 7.801 -9.918 5.066 1.00 0.00 N ATOM 1881 CA GLY A 126 8.611 -9.571 6.219 1.00 0.00 C ATOM 1882 C GLY A 126 9.667 -10.617 6.521 1.00 0.00 C ATOM 1883 O GLY A 126 9.511 -11.796 6.204 1.00 0.00 O ATOM 0 H GLY A 126 8.312 -10.354 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.095 -8.610 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.966 -9.448 7.089 1.00 0.00 H new ATOM 1887 N PRO A 127 10.772 -10.184 7.146 1.00 0.00 N ATOM 1888 CA PRO A 127 11.879 -11.075 7.503 1.00 0.00 C ATOM 1889 C PRO A 127 11.507 -12.043 8.621 1.00 0.00 C ATOM 1890 O PRO A 127 11.213 -11.629 9.742 1.00 0.00 O ATOM 1891 CB PRO A 127 12.973 -10.112 7.972 1.00 0.00 C ATOM 1892 CG PRO A 127 12.238 -8.901 8.434 1.00 0.00 C ATOM 1893 CD PRO A 127 11.025 -8.792 7.553 1.00 0.00 C ATOM 0 HA PRO A 127 12.178 -11.708 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 127 13.565 -10.547 8.777 1.00 0.00 H new ATOM 0 HB3 PRO A 127 13.663 -9.872 7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 127 11.952 -8.994 9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 127 12.862 -8.011 8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 127 10.175 -8.370 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 127 11.210 -8.149 6.692 1.00 0.00 H new ATOM 1901 N SER A 128 11.522 -13.335 8.309 1.00 0.00 N ATOM 1902 CA SER A 128 11.183 -14.362 9.286 1.00 0.00 C ATOM 1903 C SER A 128 12.414 -15.181 9.664 1.00 0.00 C ATOM 1904 O SER A 128 13.408 -15.199 8.938 1.00 0.00 O ATOM 1905 CB SER A 128 10.094 -15.284 8.733 1.00 0.00 C ATOM 1906 OG SER A 128 9.534 -16.086 9.759 1.00 0.00 O ATOM 0 H SER A 128 11.766 -13.695 7.386 1.00 0.00 H new ATOM 0 HA SER A 128 10.809 -13.866 10.181 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.311 -14.687 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 128 10.514 -15.923 7.956 1.00 0.00 H new ATOM 0 HG SER A 128 8.840 -16.665 9.380 1.00 0.00 H new ATOM 1912 N SER A 129 12.339 -15.857 10.806 1.00 0.00 N ATOM 1913 CA SER A 129 13.448 -16.675 11.284 1.00 0.00 C ATOM 1914 C SER A 129 13.372 -18.085 10.706 1.00 0.00 C ATOM 1915 O SER A 129 12.449 -18.841 11.006 1.00 0.00 O ATOM 1916 CB SER A 129 13.442 -16.737 12.813 1.00 0.00 C ATOM 1917 OG SER A 129 12.196 -17.205 13.299 1.00 0.00 O ATOM 0 H SER A 129 11.522 -15.855 11.417 1.00 0.00 H new ATOM 0 HA SER A 129 14.377 -16.214 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 129 14.240 -17.395 13.157 1.00 0.00 H new ATOM 0 HB3 SER A 129 13.647 -15.747 13.221 1.00 0.00 H new ATOM 0 HG SER A 129 11.847 -17.894 12.695 1.00 0.00 H new ATOM 1923 N GLY A 130 14.350 -18.431 9.875 1.00 0.00 N ATOM 1924 CA GLY A 130 14.376 -19.748 9.267 1.00 0.00 C ATOM 1925 C GLY A 130 15.487 -20.619 9.819 1.00 0.00 C ATOM 1926 O GLY A 130 16.456 -20.918 9.121 1.00 0.00 O ATOM 0 H GLY A 130 15.125 -17.822 9.612 1.00 0.00 H new ATOM 0 HA2 GLY A 130 13.417 -20.240 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.501 -19.645 8.189 1.00 0.00 H new TER 1930 GLY A 130