USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=28 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 36 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.046) USER MOD Set 1.2: A 71 SER OG : rot 120:sc= -0.375 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 41:sc= 0.54 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -5.97! C(o=-6!,f=-8.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -116:sc= 0.00416 USER MOD Single : A 44 HIS : no HE2:sc= -8.44! C(o=-8.4!,f=-9.2!) USER MOD Single : A 52 GLN : amide:sc= -4.09! C(o=-4.1!,f=-4!) USER MOD Single : A 53 CYS SG : rot -73:sc= 0.37 USER MOD Single : A 55 GLN :FLIP amide:sc= -1.69! F(o=-2.8,f=-1.7!) USER MOD Single : A 56 MET CE :methyl -130:sc= -3.57! (180deg=-5.02!) USER MOD Single : A 57 ASN : amide:sc= -0.579 K(o=-0.58,f=-2.3!) USER MOD Single : A 60 MET CE :methyl -176:sc= -0.51 (180deg=-0.68) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.834 K(o=-0.83,f=-13!) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= -0.315 (180deg=-0.341) USER MOD Single : A 84 SER OG : rot 180:sc= 0.057 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 105:sc= 1.29 USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= -0.0143 (180deg=-0.17) USER MOD Single : A 100 ASN : amide:sc= -0.0534 K(o=-0.053,f=-3.6!) USER MOD Single : A 101 SER OG : rot -65:sc= 0.799 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.03) 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+ -125:sc= -0.0126 (180deg=-0.461) USER MOD Single : A 120 GLN : amide:sc= -2.87! C(o=-2.9!,f=-3!) USER MOD Single : A 122 HIS : no HE2:sc= -0.299 K(o=-0.3,f=-2.6) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.142 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 62:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.817 -41.949 -17.479 1.00 0.00 N ATOM 2 CA GLY A 1 20.292 -42.983 -18.352 1.00 0.00 C ATOM 3 C GLY A 1 19.784 -42.429 -19.668 1.00 0.00 C ATOM 4 O GLY A 1 20.569 -42.002 -20.514 1.00 0.00 O ATOM 0 H1 GLY A 1 21.151 -42.379 -16.593 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.609 -41.466 -17.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.068 -41.260 -17.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.072 -43.719 -18.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.481 -43.505 -17.844 1.00 0.00 H new ATOM 8 N SER A 2 18.466 -42.435 -19.841 1.00 0.00 N ATOM 9 CA SER A 2 17.854 -41.933 -21.066 1.00 0.00 C ATOM 10 C SER A 2 17.994 -40.417 -21.162 1.00 0.00 C ATOM 11 O SER A 2 18.329 -39.879 -22.217 1.00 0.00 O ATOM 12 CB SER A 2 16.376 -42.325 -21.121 1.00 0.00 C ATOM 13 OG SER A 2 15.761 -41.832 -22.298 1.00 0.00 O ATOM 0 H SER A 2 17.802 -42.782 -19.149 1.00 0.00 H new ATOM 0 HA SER A 2 18.373 -42.382 -21.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.283 -43.410 -21.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.860 -41.932 -20.245 1.00 0.00 H new ATOM 0 HG SER A 2 14.818 -42.097 -22.310 1.00 0.00 H new ATOM 19 N SER A 3 17.734 -39.734 -20.052 1.00 0.00 N ATOM 20 CA SER A 3 17.826 -38.279 -20.010 1.00 0.00 C ATOM 21 C SER A 3 16.916 -37.647 -21.059 1.00 0.00 C ATOM 22 O SER A 3 17.297 -36.689 -21.731 1.00 0.00 O ATOM 23 CB SER A 3 19.272 -37.832 -20.236 1.00 0.00 C ATOM 24 OG SER A 3 20.050 -38.014 -19.066 1.00 0.00 O ATOM 0 H SER A 3 17.458 -40.165 -19.170 1.00 0.00 H new ATOM 0 HA SER A 3 17.500 -37.947 -19.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.707 -38.400 -21.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.290 -36.782 -20.529 1.00 0.00 H new ATOM 0 HG SER A 3 20.970 -37.723 -19.236 1.00 0.00 H new ATOM 30 N GLY A 4 15.710 -38.191 -21.193 1.00 0.00 N ATOM 31 CA GLY A 4 14.764 -37.669 -22.161 1.00 0.00 C ATOM 32 C GLY A 4 13.367 -37.529 -21.590 1.00 0.00 C ATOM 33 O GLY A 4 12.472 -38.306 -21.924 1.00 0.00 O ATOM 0 H GLY A 4 15.372 -38.984 -20.648 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.108 -36.697 -22.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.734 -38.329 -23.028 1.00 0.00 H new ATOM 37 N SER A 5 13.180 -36.538 -20.725 1.00 0.00 N ATOM 38 CA SER A 5 11.882 -36.303 -20.101 1.00 0.00 C ATOM 39 C SER A 5 11.492 -34.831 -20.197 1.00 0.00 C ATOM 40 O SER A 5 11.961 -34.001 -19.418 1.00 0.00 O ATOM 41 CB SER A 5 11.911 -36.740 -18.636 1.00 0.00 C ATOM 42 OG SER A 5 12.963 -36.103 -17.933 1.00 0.00 O ATOM 0 H SER A 5 13.910 -35.885 -20.440 1.00 0.00 H new ATOM 0 HA SER A 5 11.137 -36.894 -20.634 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.958 -36.502 -18.164 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.034 -37.822 -18.579 1.00 0.00 H new ATOM 0 HG SER A 5 13.022 -35.165 -18.211 1.00 0.00 H new ATOM 48 N SER A 6 10.631 -34.515 -21.159 1.00 0.00 N ATOM 49 CA SER A 6 10.180 -33.143 -21.360 1.00 0.00 C ATOM 50 C SER A 6 8.739 -32.970 -20.889 1.00 0.00 C ATOM 51 O SER A 6 7.949 -33.913 -20.912 1.00 0.00 O ATOM 52 CB SER A 6 10.296 -32.757 -22.836 1.00 0.00 C ATOM 53 OG SER A 6 9.257 -33.345 -23.600 1.00 0.00 O ATOM 0 H SER A 6 10.232 -35.190 -21.811 1.00 0.00 H new ATOM 0 HA SER A 6 10.818 -32.486 -20.769 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.256 -31.672 -22.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.263 -33.077 -23.224 1.00 0.00 H new ATOM 0 HG SER A 6 9.352 -33.082 -24.539 1.00 0.00 H new ATOM 59 N GLY A 7 8.404 -31.756 -20.462 1.00 0.00 N ATOM 60 CA GLY A 7 7.060 -31.480 -19.991 1.00 0.00 C ATOM 61 C GLY A 7 7.007 -31.244 -18.494 1.00 0.00 C ATOM 62 O GLY A 7 6.266 -31.917 -17.779 1.00 0.00 O ATOM 0 H GLY A 7 9.040 -30.959 -20.434 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.670 -30.603 -20.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.410 -32.316 -20.247 1.00 0.00 H new ATOM 66 N MET A 8 7.795 -30.285 -18.020 1.00 0.00 N ATOM 67 CA MET A 8 7.835 -29.962 -16.599 1.00 0.00 C ATOM 68 C MET A 8 6.683 -29.038 -16.219 1.00 0.00 C ATOM 69 O MET A 8 5.993 -29.266 -15.225 1.00 0.00 O ATOM 70 CB MET A 8 9.170 -29.306 -16.240 1.00 0.00 C ATOM 71 CG MET A 8 9.235 -28.806 -14.806 1.00 0.00 C ATOM 72 SD MET A 8 9.371 -30.147 -13.608 1.00 0.00 S ATOM 73 CE MET A 8 10.706 -29.546 -12.577 1.00 0.00 C ATOM 0 H MET A 8 8.414 -29.718 -18.599 1.00 0.00 H new ATOM 0 HA MET A 8 7.733 -30.891 -16.038 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.974 -30.024 -16.403 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.348 -28.470 -16.916 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.090 -28.138 -14.697 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.342 -28.219 -14.589 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.909 -30.268 -11.786 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.602 -29.411 -13.183 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.422 -28.592 -12.133 1.00 0.00 H new ATOM 83 N ALA A 9 6.479 -27.994 -17.016 1.00 0.00 N ATOM 84 CA ALA A 9 5.410 -27.037 -16.764 1.00 0.00 C ATOM 85 C ALA A 9 5.618 -26.318 -15.435 1.00 0.00 C ATOM 86 O ALA A 9 4.671 -26.103 -14.679 1.00 0.00 O ATOM 87 CB ALA A 9 4.059 -27.738 -16.780 1.00 0.00 C ATOM 0 H ALA A 9 7.041 -27.790 -17.842 1.00 0.00 H new ATOM 0 HA ALA A 9 5.430 -26.291 -17.558 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.270 -27.011 -16.590 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.900 -28.200 -17.754 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.038 -28.506 -16.007 1.00 0.00 H new ATOM 93 N ALA A 10 6.864 -25.948 -15.157 1.00 0.00 N ATOM 94 CA ALA A 10 7.196 -25.252 -13.920 1.00 0.00 C ATOM 95 C ALA A 10 7.458 -23.772 -14.177 1.00 0.00 C ATOM 96 O ALA A 10 8.383 -23.188 -13.614 1.00 0.00 O ATOM 97 CB ALA A 10 8.406 -25.897 -13.260 1.00 0.00 C ATOM 0 H ALA A 10 7.660 -26.119 -15.772 1.00 0.00 H new ATOM 0 HA ALA A 10 6.343 -25.332 -13.247 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.643 -25.367 -12.337 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.184 -26.940 -13.033 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.259 -25.847 -13.936 1.00 0.00 H new ATOM 103 N GLY A 11 6.636 -23.169 -15.031 1.00 0.00 N ATOM 104 CA GLY A 11 6.797 -21.762 -15.348 1.00 0.00 C ATOM 105 C GLY A 11 5.594 -21.190 -16.072 1.00 0.00 C ATOM 106 O GLY A 11 5.362 -21.495 -17.242 1.00 0.00 O ATOM 0 H GLY A 11 5.862 -23.630 -15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.964 -21.202 -14.428 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.685 -21.631 -15.966 1.00 0.00 H new ATOM 110 N ALA A 12 4.825 -20.360 -15.375 1.00 0.00 N ATOM 111 CA ALA A 12 3.641 -19.744 -15.959 1.00 0.00 C ATOM 112 C ALA A 12 3.801 -18.230 -16.058 1.00 0.00 C ATOM 113 O ALA A 12 4.625 -17.637 -15.363 1.00 0.00 O ATOM 114 CB ALA A 12 2.406 -20.093 -15.141 1.00 0.00 C ATOM 0 H ALA A 12 5.001 -20.099 -14.405 1.00 0.00 H new ATOM 0 HA ALA A 12 3.518 -20.137 -16.968 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.529 -19.626 -15.589 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.273 -21.175 -15.126 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.530 -19.729 -14.121 1.00 0.00 H new ATOM 120 N ALA A 13 3.007 -17.612 -16.926 1.00 0.00 N ATOM 121 CA ALA A 13 3.060 -16.167 -17.115 1.00 0.00 C ATOM 122 C ALA A 13 2.178 -15.448 -16.100 1.00 0.00 C ATOM 123 O ALA A 13 0.954 -15.428 -16.232 1.00 0.00 O ATOM 124 CB ALA A 13 2.642 -15.804 -18.532 1.00 0.00 C ATOM 0 H ALA A 13 2.320 -18.089 -17.509 1.00 0.00 H new ATOM 0 HA ALA A 13 4.089 -15.842 -16.958 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.686 -14.722 -18.659 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.316 -16.281 -19.244 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.623 -16.149 -18.710 1.00 0.00 H new ATOM 130 N GLU A 14 2.807 -14.860 -15.087 1.00 0.00 N ATOM 131 CA GLU A 14 2.077 -14.141 -14.049 1.00 0.00 C ATOM 132 C GLU A 14 2.009 -12.650 -14.365 1.00 0.00 C ATOM 133 O GLU A 14 2.896 -11.884 -13.990 1.00 0.00 O ATOM 134 CB GLU A 14 2.739 -14.356 -12.687 1.00 0.00 C ATOM 135 CG GLU A 14 1.913 -13.841 -11.520 1.00 0.00 C ATOM 136 CD GLU A 14 0.961 -14.886 -10.973 1.00 0.00 C ATOM 137 OE1 GLU A 14 -0.132 -15.054 -11.554 1.00 0.00 O ATOM 138 OE2 GLU A 14 1.308 -15.536 -9.965 1.00 0.00 O ATOM 0 H GLU A 14 3.819 -14.867 -14.963 1.00 0.00 H new ATOM 0 HA GLU A 14 1.061 -14.534 -14.017 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.925 -15.421 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.709 -13.859 -12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.581 -13.512 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.344 -12.968 -11.840 1.00 0.00 H new ATOM 145 N ALA A 15 0.950 -12.245 -15.058 1.00 0.00 N ATOM 146 CA ALA A 15 0.765 -10.846 -15.423 1.00 0.00 C ATOM 147 C ALA A 15 0.161 -10.053 -14.269 1.00 0.00 C ATOM 148 O ALA A 15 -1.002 -10.243 -13.914 1.00 0.00 O ATOM 149 CB ALA A 15 -0.116 -10.736 -16.660 1.00 0.00 C ATOM 0 H ALA A 15 0.207 -12.866 -15.378 1.00 0.00 H new ATOM 0 HA ALA A 15 1.744 -10.422 -15.648 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.246 -9.686 -16.922 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.356 -11.261 -17.490 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.089 -11.182 -16.454 1.00 0.00 H new ATOM 155 N ALA A 16 0.960 -9.164 -13.688 1.00 0.00 N ATOM 156 CA ALA A 16 0.504 -8.341 -12.575 1.00 0.00 C ATOM 157 C ALA A 16 0.915 -6.885 -12.764 1.00 0.00 C ATOM 158 O ALA A 16 2.001 -6.596 -13.268 1.00 0.00 O ATOM 159 CB ALA A 16 1.051 -8.879 -11.261 1.00 0.00 C ATOM 0 H ALA A 16 1.926 -8.996 -13.970 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.585 -8.383 -12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.702 -8.254 -10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.703 -9.901 -11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.141 -8.867 -11.289 1.00 0.00 H new ATOM 165 N VAL A 17 0.040 -5.970 -12.358 1.00 0.00 N ATOM 166 CA VAL A 17 0.313 -4.543 -12.482 1.00 0.00 C ATOM 167 C VAL A 17 0.645 -3.926 -11.128 1.00 0.00 C ATOM 168 O VAL A 17 -0.072 -4.132 -10.149 1.00 0.00 O ATOM 169 CB VAL A 17 -0.885 -3.794 -13.096 1.00 0.00 C ATOM 170 CG1 VAL A 17 -0.593 -2.304 -13.188 1.00 0.00 C ATOM 171 CG2 VAL A 17 -1.225 -4.364 -14.464 1.00 0.00 C ATOM 0 H VAL A 17 -0.864 -6.192 -11.940 1.00 0.00 H new ATOM 0 HA VAL A 17 1.173 -4.442 -13.144 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.749 -3.931 -12.446 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.450 -1.791 -13.624 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.403 -1.908 -12.190 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.284 -2.143 -13.816 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.074 -3.823 -14.883 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.365 -4.259 -15.126 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.480 -5.419 -14.365 1.00 0.00 H new ATOM 181 N ALA A 18 1.735 -3.169 -11.080 1.00 0.00 N ATOM 182 CA ALA A 18 2.161 -2.519 -9.846 1.00 0.00 C ATOM 183 C ALA A 18 1.759 -1.048 -9.833 1.00 0.00 C ATOM 184 O ALA A 18 2.491 -0.200 -9.323 1.00 0.00 O ATOM 185 CB ALA A 18 3.665 -2.659 -9.667 1.00 0.00 C ATOM 0 H ALA A 18 2.340 -2.990 -11.881 1.00 0.00 H new ATOM 0 HA ALA A 18 1.660 -3.013 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.968 -2.169 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.929 -3.716 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.177 -2.193 -10.509 1.00 0.00 H new ATOM 191 N ALA A 19 0.593 -0.753 -10.397 1.00 0.00 N ATOM 192 CA ALA A 19 0.094 0.615 -10.449 1.00 0.00 C ATOM 193 C ALA A 19 -1.290 0.719 -9.817 1.00 0.00 C ATOM 194 O ALA A 19 -2.097 -0.206 -9.908 1.00 0.00 O ATOM 195 CB ALA A 19 0.058 1.110 -11.887 1.00 0.00 C ATOM 0 H ALA A 19 -0.024 -1.444 -10.825 1.00 0.00 H new ATOM 0 HA ALA A 19 0.775 1.245 -9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.317 2.133 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.064 1.082 -12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.599 0.470 -12.476 1.00 0.00 H new ATOM 201 N VAL A 20 -1.559 1.852 -9.175 1.00 0.00 N ATOM 202 CA VAL A 20 -2.846 2.077 -8.528 1.00 0.00 C ATOM 203 C VAL A 20 -3.932 2.380 -9.555 1.00 0.00 C ATOM 204 O VAL A 20 -3.730 3.179 -10.468 1.00 0.00 O ATOM 205 CB VAL A 20 -2.772 3.238 -7.518 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.106 3.416 -6.810 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.653 2.999 -6.515 1.00 0.00 C ATOM 0 H VAL A 20 -0.903 2.628 -9.089 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.098 1.159 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.552 4.157 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.034 4.240 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.881 3.635 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.360 2.500 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.614 3.828 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.840 2.071 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.702 2.926 -7.042 1.00 0.00 H new ATOM 217 N GLU A 21 -5.084 1.736 -9.397 1.00 0.00 N ATOM 218 CA GLU A 21 -6.202 1.937 -10.311 1.00 0.00 C ATOM 219 C GLU A 21 -7.112 3.059 -9.820 1.00 0.00 C ATOM 220 O GLU A 21 -7.255 3.272 -8.616 1.00 0.00 O ATOM 221 CB GLU A 21 -7.005 0.643 -10.463 1.00 0.00 C ATOM 222 CG GLU A 21 -6.413 -0.327 -11.471 1.00 0.00 C ATOM 223 CD GLU A 21 -7.420 -1.352 -11.956 1.00 0.00 C ATOM 224 OE1 GLU A 21 -8.630 -1.046 -11.944 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.996 -2.459 -12.348 1.00 0.00 O ATOM 0 H GLU A 21 -5.267 1.071 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.797 2.221 -11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.071 0.150 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.023 0.890 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.029 0.231 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.565 -0.842 -11.019 1.00 0.00 H new ATOM 232 N GLU A 22 -7.724 3.772 -10.760 1.00 0.00 N ATOM 233 CA GLU A 22 -8.619 4.873 -10.422 1.00 0.00 C ATOM 234 C GLU A 22 -10.074 4.415 -10.439 1.00 0.00 C ATOM 235 O GLU A 22 -10.641 4.148 -11.499 1.00 0.00 O ATOM 236 CB GLU A 22 -8.426 6.034 -11.400 1.00 0.00 C ATOM 237 CG GLU A 22 -9.203 7.283 -11.021 1.00 0.00 C ATOM 238 CD GLU A 22 -8.600 8.545 -11.607 1.00 0.00 C ATOM 239 OE1 GLU A 22 -8.110 8.492 -12.755 1.00 0.00 O ATOM 240 OE2 GLU A 22 -8.619 9.587 -10.918 1.00 0.00 O ATOM 0 H GLU A 22 -7.617 3.607 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.375 5.211 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.365 6.279 -11.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.732 5.714 -12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.233 7.184 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.236 7.371 -9.935 1.00 0.00 H new ATOM 247 N VAL A 23 -10.674 4.327 -9.256 1.00 0.00 N ATOM 248 CA VAL A 23 -12.064 3.902 -9.133 1.00 0.00 C ATOM 249 C VAL A 23 -12.994 5.102 -8.990 1.00 0.00 C ATOM 250 O VAL A 23 -12.872 5.887 -8.050 1.00 0.00 O ATOM 251 CB VAL A 23 -12.260 2.967 -7.925 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.624 2.297 -7.985 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.149 1.929 -7.869 1.00 0.00 C ATOM 0 H VAL A 23 -10.219 4.544 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.312 3.360 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.214 3.564 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.745 1.640 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.404 3.058 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.702 1.712 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.303 1.277 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.160 1.334 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.186 2.431 -7.775 1.00 0.00 H new ATOM 263 N GLY A 24 -13.926 5.237 -9.929 1.00 0.00 N ATOM 264 CA GLY A 24 -14.864 6.343 -9.889 1.00 0.00 C ATOM 265 C GLY A 24 -16.306 5.878 -9.835 1.00 0.00 C ATOM 266 O GLY A 24 -17.228 6.667 -10.042 1.00 0.00 O ATOM 0 H GLY A 24 -14.048 4.600 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.653 6.963 -9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.720 6.970 -10.769 1.00 0.00 H new ATOM 270 N SER A 25 -16.502 4.593 -9.559 1.00 0.00 N ATOM 271 CA SER A 25 -17.842 4.023 -9.484 1.00 0.00 C ATOM 272 C SER A 25 -17.881 2.853 -8.505 1.00 0.00 C ATOM 273 O SER A 25 -16.896 2.136 -8.339 1.00 0.00 O ATOM 274 CB SER A 25 -18.300 3.559 -10.869 1.00 0.00 C ATOM 275 OG SER A 25 -17.506 2.481 -11.333 1.00 0.00 O ATOM 0 H SER A 25 -15.750 3.927 -9.384 1.00 0.00 H new ATOM 0 HA SER A 25 -18.520 4.797 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.345 3.253 -10.826 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.239 4.389 -11.573 1.00 0.00 H new ATOM 0 HG SER A 25 -17.819 2.201 -12.219 1.00 0.00 H new ATOM 281 N ALA A 26 -19.029 2.668 -7.860 1.00 0.00 N ATOM 282 CA ALA A 26 -19.198 1.586 -6.899 1.00 0.00 C ATOM 283 C ALA A 26 -19.160 0.227 -7.590 1.00 0.00 C ATOM 284 O ALA A 26 -18.721 -0.764 -7.008 1.00 0.00 O ATOM 285 CB ALA A 26 -20.505 1.756 -6.138 1.00 0.00 C ATOM 0 H ALA A 26 -19.855 3.253 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.370 1.628 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.619 0.941 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.495 2.707 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.339 1.742 -6.840 1.00 0.00 H new ATOM 291 N GLY A 27 -19.622 0.188 -8.836 1.00 0.00 N ATOM 292 CA GLY A 27 -19.632 -1.054 -9.586 1.00 0.00 C ATOM 293 C GLY A 27 -18.237 -1.601 -9.820 1.00 0.00 C ATOM 294 O GLY A 27 -17.999 -2.798 -9.663 1.00 0.00 O ATOM 0 H GLY A 27 -19.990 0.995 -9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.224 -1.795 -9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.121 -0.891 -10.546 1.00 0.00 H new ATOM 298 N GLN A 28 -17.315 -0.722 -10.199 1.00 0.00 N ATOM 299 CA GLN A 28 -15.938 -1.124 -10.459 1.00 0.00 C ATOM 300 C GLN A 28 -15.278 -1.655 -9.191 1.00 0.00 C ATOM 301 O GLN A 28 -14.603 -2.685 -9.213 1.00 0.00 O ATOM 302 CB GLN A 28 -15.135 0.055 -11.011 1.00 0.00 C ATOM 303 CG GLN A 28 -13.658 -0.250 -11.201 1.00 0.00 C ATOM 304 CD GLN A 28 -12.798 0.998 -11.188 1.00 0.00 C ATOM 305 OE1 GLN A 28 -11.794 1.066 -10.478 1.00 0.00 O ATOM 306 NE2 GLN A 28 -13.187 1.994 -11.975 1.00 0.00 N ATOM 0 H GLN A 28 -17.497 0.273 -10.333 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.953 -1.922 -11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.561 0.358 -11.968 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.238 0.903 -10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.326 -0.924 -10.411 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.518 -0.773 -12.147 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.026 1.894 -12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.647 2.859 -12.008 1.00 0.00 H new ATOM 315 N PHE A 29 -15.476 -0.944 -8.085 1.00 0.00 N ATOM 316 CA PHE A 29 -14.898 -1.343 -6.807 1.00 0.00 C ATOM 317 C PHE A 29 -15.416 -2.713 -6.379 1.00 0.00 C ATOM 318 O PHE A 29 -14.649 -3.666 -6.253 1.00 0.00 O ATOM 319 CB PHE A 29 -15.222 -0.304 -5.731 1.00 0.00 C ATOM 320 CG PHE A 29 -14.843 -0.740 -4.344 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.666 -1.435 -4.119 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.665 -0.454 -3.265 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.314 -1.837 -2.844 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.319 -0.853 -1.988 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.142 -1.546 -1.777 1.00 0.00 C ATOM 0 H PHE A 29 -16.032 -0.090 -8.048 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.817 -1.405 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.703 0.625 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.290 -0.087 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.015 -1.666 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.586 0.087 -3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.393 -2.378 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.968 -0.624 -1.156 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.870 -1.859 -0.780 1.00 0.00 H new ATOM 335 N GLU A 30 -16.724 -2.801 -6.157 1.00 0.00 N ATOM 336 CA GLU A 30 -17.345 -4.054 -5.743 1.00 0.00 C ATOM 337 C GLU A 30 -17.056 -5.164 -6.750 1.00 0.00 C ATOM 338 O GLU A 30 -16.936 -6.332 -6.383 1.00 0.00 O ATOM 339 CB GLU A 30 -18.856 -3.873 -5.586 1.00 0.00 C ATOM 340 CG GLU A 30 -19.247 -3.039 -4.378 1.00 0.00 C ATOM 341 CD GLU A 30 -20.749 -2.890 -4.233 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.435 -3.922 -4.074 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.239 -1.742 -4.280 1.00 0.00 O ATOM 0 H GLU A 30 -17.373 -2.021 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.919 -4.340 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.252 -3.402 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.325 -4.854 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.843 -3.500 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.794 -2.051 -4.461 1.00 0.00 H new ATOM 350 N GLU A 31 -16.947 -4.788 -8.020 1.00 0.00 N ATOM 351 CA GLU A 31 -16.674 -5.752 -9.080 1.00 0.00 C ATOM 352 C GLU A 31 -15.238 -6.262 -8.995 1.00 0.00 C ATOM 353 O GLU A 31 -14.934 -7.372 -9.435 1.00 0.00 O ATOM 354 CB GLU A 31 -16.922 -5.119 -10.451 1.00 0.00 C ATOM 355 CG GLU A 31 -16.536 -6.017 -11.614 1.00 0.00 C ATOM 356 CD GLU A 31 -15.095 -5.825 -12.047 1.00 0.00 C ATOM 357 OE1 GLU A 31 -14.270 -5.423 -11.201 1.00 0.00 O ATOM 358 OE2 GLU A 31 -14.794 -6.078 -13.232 1.00 0.00 O ATOM 0 H GLU A 31 -17.043 -3.824 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.350 -6.597 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.977 -4.861 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.359 -4.188 -10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.691 -7.058 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.195 -5.815 -12.458 1.00 0.00 H new ATOM 365 N LEU A 32 -14.359 -5.444 -8.428 1.00 0.00 N ATOM 366 CA LEU A 32 -12.954 -5.811 -8.285 1.00 0.00 C ATOM 367 C LEU A 32 -12.738 -6.665 -7.040 1.00 0.00 C ATOM 368 O LEU A 32 -11.876 -7.545 -7.019 1.00 0.00 O ATOM 369 CB LEU A 32 -12.084 -4.555 -8.212 1.00 0.00 C ATOM 370 CG LEU A 32 -10.581 -4.768 -8.402 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.222 -4.747 -9.880 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.793 -3.709 -7.644 1.00 0.00 C ATOM 0 H LEU A 32 -14.594 -4.522 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.666 -6.396 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.430 -3.853 -8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.244 -4.082 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.317 -5.746 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.149 -4.900 -9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.760 -5.542 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.499 -3.784 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.726 -3.876 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.060 -2.720 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.028 -3.772 -6.581 1.00 0.00 H new ATOM 384 N LEU A 33 -13.528 -6.403 -6.005 1.00 0.00 N ATOM 385 CA LEU A 33 -13.425 -7.150 -4.756 1.00 0.00 C ATOM 386 C LEU A 33 -13.368 -8.651 -5.022 1.00 0.00 C ATOM 387 O LEU A 33 -12.758 -9.403 -4.262 1.00 0.00 O ATOM 388 CB LEU A 33 -14.612 -6.827 -3.846 1.00 0.00 C ATOM 389 CG LEU A 33 -14.438 -5.626 -2.916 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.622 -5.507 -1.970 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.138 -5.741 -2.135 1.00 0.00 C ATOM 0 H LEU A 33 -14.247 -5.679 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.502 -6.852 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.487 -6.652 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.826 -7.705 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.394 -4.723 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.480 -4.647 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.537 -5.377 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.699 -6.412 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.031 -4.878 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.152 -6.652 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.298 -5.775 -2.829 1.00 0.00 H new ATOM 403 N ARG A 34 -14.005 -9.079 -6.107 1.00 0.00 N ATOM 404 CA ARG A 34 -14.026 -10.490 -6.474 1.00 0.00 C ATOM 405 C ARG A 34 -12.801 -10.852 -7.309 1.00 0.00 C ATOM 406 O ARG A 34 -12.234 -11.935 -7.161 1.00 0.00 O ATOM 407 CB ARG A 34 -15.302 -10.818 -7.251 1.00 0.00 C ATOM 408 CG ARG A 34 -15.175 -10.601 -8.750 1.00 0.00 C ATOM 409 CD ARG A 34 -16.505 -10.809 -9.457 1.00 0.00 C ATOM 410 NE ARG A 34 -17.587 -10.063 -8.819 1.00 0.00 N ATOM 411 CZ ARG A 34 -18.293 -10.527 -7.795 1.00 0.00 C ATOM 412 NH1 ARG A 34 -18.033 -11.727 -7.294 1.00 0.00 N ATOM 413 NH2 ARG A 34 -19.263 -9.789 -7.268 1.00 0.00 N ATOM 0 H ARG A 34 -14.513 -8.469 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.006 -11.079 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.574 -11.857 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.117 -10.202 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.813 -9.591 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.434 -11.289 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.415 -10.498 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.751 -11.871 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.812 -9.136 -9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.288 -12.297 -7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.578 -12.080 -6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.466 -8.865 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.805 -10.146 -6.481 1.00 0.00 H new ATOM 427 N LEU A 35 -12.399 -9.939 -8.186 1.00 0.00 N ATOM 428 CA LEU A 35 -11.242 -10.162 -9.046 1.00 0.00 C ATOM 429 C LEU A 35 -9.963 -10.264 -8.222 1.00 0.00 C ATOM 430 O LEU A 35 -9.216 -11.237 -8.332 1.00 0.00 O ATOM 431 CB LEU A 35 -11.115 -9.030 -10.067 1.00 0.00 C ATOM 432 CG LEU A 35 -11.989 -9.152 -11.316 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.180 -7.792 -11.969 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.378 -10.137 -12.302 1.00 0.00 C ATOM 0 H LEU A 35 -12.857 -9.038 -8.320 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.389 -11.104 -9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.356 -8.090 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.073 -8.966 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.967 -9.529 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.804 -7.899 -12.856 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.663 -7.115 -11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.210 -7.386 -12.255 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.014 -10.210 -13.184 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.388 -9.790 -12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.294 -11.117 -11.832 1.00 0.00 H new ATOM 446 N LYS A 36 -9.716 -9.255 -7.394 1.00 0.00 N ATOM 447 CA LYS A 36 -8.530 -9.231 -6.547 1.00 0.00 C ATOM 448 C LYS A 36 -8.804 -9.905 -5.207 1.00 0.00 C ATOM 449 O LYS A 36 -8.212 -9.547 -4.189 1.00 0.00 O ATOM 450 CB LYS A 36 -8.068 -7.789 -6.321 1.00 0.00 C ATOM 451 CG LYS A 36 -8.018 -6.960 -7.592 1.00 0.00 C ATOM 452 CD LYS A 36 -6.784 -7.281 -8.419 1.00 0.00 C ATOM 453 CE LYS A 36 -6.712 -6.419 -9.670 1.00 0.00 C ATOM 454 NZ LYS A 36 -6.296 -5.024 -9.359 1.00 0.00 N ATOM 0 H LYS A 36 -10.323 -8.442 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.740 -9.783 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.740 -7.308 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.078 -7.801 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.913 -7.147 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.020 -5.900 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.890 -7.124 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.798 -8.334 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.007 -6.860 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.686 -6.407 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.811 -4.615 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.136 -4.454 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.650 -5.028 -8.544 1.00 0.00 H new ATOM 468 N ALA A 37 -9.704 -10.882 -5.214 1.00 0.00 N ATOM 469 CA ALA A 37 -10.054 -11.608 -4.000 1.00 0.00 C ATOM 470 C ALA A 37 -8.959 -12.598 -3.617 1.00 0.00 C ATOM 471 O ALA A 37 -9.058 -13.289 -2.602 1.00 0.00 O ATOM 472 CB ALA A 37 -11.381 -12.330 -4.180 1.00 0.00 C ATOM 0 H ALA A 37 -10.205 -11.189 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.153 -10.885 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.630 -12.868 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.164 -11.604 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.302 -13.037 -5.006 1.00 0.00 H new ATOM 478 N LYS A 38 -7.914 -12.663 -4.435 1.00 0.00 N ATOM 479 CA LYS A 38 -6.799 -13.568 -4.183 1.00 0.00 C ATOM 480 C LYS A 38 -5.626 -12.824 -3.553 1.00 0.00 C ATOM 481 O LYS A 38 -4.864 -13.394 -2.772 1.00 0.00 O ATOM 482 CB LYS A 38 -6.353 -14.236 -5.486 1.00 0.00 C ATOM 483 CG LYS A 38 -7.322 -15.291 -5.992 1.00 0.00 C ATOM 484 CD LYS A 38 -6.698 -16.143 -7.084 1.00 0.00 C ATOM 485 CE LYS A 38 -6.829 -15.484 -8.448 1.00 0.00 C ATOM 486 NZ LYS A 38 -8.190 -15.664 -9.023 1.00 0.00 N ATOM 0 H LYS A 38 -7.816 -12.099 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.136 -14.335 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.229 -13.471 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.376 -14.695 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.632 -15.929 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.220 -14.807 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.645 -16.310 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.179 -17.121 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.610 -14.420 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.089 -15.906 -9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.238 -15.200 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.390 -16.679 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.895 -15.239 -8.387 1.00 0.00 H new ATOM 500 N SER A 39 -5.488 -11.547 -3.897 1.00 0.00 N ATOM 501 CA SER A 39 -4.406 -10.726 -3.367 1.00 0.00 C ATOM 502 C SER A 39 -4.930 -9.748 -2.319 1.00 0.00 C ATOM 503 O SER A 39 -6.136 -9.653 -2.090 1.00 0.00 O ATOM 504 CB SER A 39 -3.718 -9.959 -4.498 1.00 0.00 C ATOM 505 OG SER A 39 -3.024 -10.840 -5.363 1.00 0.00 O ATOM 0 H SER A 39 -6.112 -11.059 -4.540 1.00 0.00 H new ATOM 0 HA SER A 39 -3.681 -11.387 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.461 -9.398 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.022 -9.233 -4.078 1.00 0.00 H new ATOM 0 HG SER A 39 -2.063 -10.653 -5.318 1.00 0.00 H new ATOM 511 N LEU A 40 -4.014 -9.024 -1.685 1.00 0.00 N ATOM 512 CA LEU A 40 -4.381 -8.053 -0.661 1.00 0.00 C ATOM 513 C LEU A 40 -4.812 -6.732 -1.292 1.00 0.00 C ATOM 514 O LEU A 40 -3.990 -5.997 -1.841 1.00 0.00 O ATOM 515 CB LEU A 40 -3.208 -7.818 0.292 1.00 0.00 C ATOM 516 CG LEU A 40 -3.341 -6.625 1.240 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.504 -6.833 2.198 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.046 -6.408 2.009 1.00 0.00 C ATOM 0 H LEU A 40 -3.012 -9.091 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.222 -8.457 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.066 -8.718 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.304 -7.685 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.541 -5.733 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.584 -5.975 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.429 -6.939 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.334 -7.735 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.159 -5.555 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.816 -7.299 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.235 -6.214 1.308 1.00 0.00 H new ATOM 530 N LEU A 41 -6.104 -6.436 -1.207 1.00 0.00 N ATOM 531 CA LEU A 41 -6.644 -5.202 -1.768 1.00 0.00 C ATOM 532 C LEU A 41 -6.645 -4.086 -0.728 1.00 0.00 C ATOM 533 O LEU A 41 -7.127 -4.266 0.391 1.00 0.00 O ATOM 534 CB LEU A 41 -8.064 -5.433 -2.287 1.00 0.00 C ATOM 535 CG LEU A 41 -8.553 -4.460 -3.360 1.00 0.00 C ATOM 536 CD1 LEU A 41 -7.790 -4.670 -4.659 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.049 -4.622 -3.586 1.00 0.00 C ATOM 0 H LEU A 41 -6.797 -7.033 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.006 -4.899 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.122 -6.445 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.751 -5.385 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.366 -3.444 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.152 -3.969 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.727 -4.502 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.944 -5.690 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.379 -3.921 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.260 -5.641 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.581 -4.420 -2.657 1.00 0.00 H new ATOM 549 N VAL A 42 -6.105 -2.931 -1.105 1.00 0.00 N ATOM 550 CA VAL A 42 -6.047 -1.785 -0.206 1.00 0.00 C ATOM 551 C VAL A 42 -6.714 -0.564 -0.829 1.00 0.00 C ATOM 552 O VAL A 42 -6.135 0.102 -1.688 1.00 0.00 O ATOM 553 CB VAL A 42 -4.593 -1.432 0.160 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.553 -0.218 1.076 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.903 -2.622 0.809 1.00 0.00 C ATOM 0 H VAL A 42 -5.702 -2.765 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.584 -2.066 0.700 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.056 -1.185 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.518 0.017 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.007 0.634 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.105 -0.434 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.877 -2.355 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.438 -2.902 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.899 -3.463 0.116 1.00 0.00 H new ATOM 565 N VAL A 43 -7.935 -0.275 -0.391 1.00 0.00 N ATOM 566 CA VAL A 43 -8.681 0.868 -0.905 1.00 0.00 C ATOM 567 C VAL A 43 -8.322 2.143 -0.150 1.00 0.00 C ATOM 568 O VAL A 43 -8.665 2.301 1.022 1.00 0.00 O ATOM 569 CB VAL A 43 -10.201 0.637 -0.805 1.00 0.00 C ATOM 570 CG1 VAL A 43 -10.960 1.861 -1.292 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.604 -0.600 -1.595 1.00 0.00 C ATOM 0 H VAL A 43 -8.429 -0.816 0.319 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.406 0.980 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.459 0.472 0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.032 1.679 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.692 2.722 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.701 2.060 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.681 -0.749 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.334 -0.467 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.086 -1.472 -1.195 1.00 0.00 H new ATOM 581 N HIS A 44 -7.629 3.051 -0.830 1.00 0.00 N ATOM 582 CA HIS A 44 -7.224 4.315 -0.224 1.00 0.00 C ATOM 583 C HIS A 44 -8.144 5.449 -0.665 1.00 0.00 C ATOM 584 O HIS A 44 -8.208 5.786 -1.847 1.00 0.00 O ATOM 585 CB HIS A 44 -5.777 4.642 -0.597 1.00 0.00 C ATOM 586 CG HIS A 44 -5.315 5.973 -0.088 1.00 0.00 C ATOM 587 ND1 HIS A 44 -4.795 6.952 -0.908 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.298 6.485 1.165 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.476 8.008 -0.181 1.00 0.00 C ATOM 590 NE2 HIS A 44 -4.772 7.751 1.080 1.00 0.00 N ATOM 0 H HIS A 44 -7.336 2.935 -1.800 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.299 4.211 0.858 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.124 3.864 -0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.676 4.622 -1.682 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.675 6.873 -1.918 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.635 5.990 2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.046 8.926 -0.555 1.00 0.00 H new ATOM 599 N PHE A 45 -8.857 6.032 0.293 1.00 0.00 N ATOM 600 CA PHE A 45 -9.775 7.127 0.004 1.00 0.00 C ATOM 601 C PHE A 45 -9.012 8.419 -0.271 1.00 0.00 C ATOM 602 O PHE A 45 -8.361 8.969 0.617 1.00 0.00 O ATOM 603 CB PHE A 45 -10.743 7.332 1.172 1.00 0.00 C ATOM 604 CG PHE A 45 -11.773 6.246 1.294 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.394 4.914 1.333 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.121 6.557 1.369 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.339 3.912 1.445 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.071 5.560 1.482 1.00 0.00 C ATOM 609 CZ PHE A 45 -13.680 4.235 1.519 1.00 0.00 C ATOM 0 H PHE A 45 -8.817 5.764 1.276 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.343 6.865 -0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.174 7.388 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.249 8.290 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.347 4.656 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.433 7.591 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.030 2.878 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.119 5.816 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.421 3.454 1.606 1.00 0.00 H new ATOM 619 N TRP A 46 -9.097 8.897 -1.507 1.00 0.00 N ATOM 620 CA TRP A 46 -8.413 10.125 -1.900 1.00 0.00 C ATOM 621 C TRP A 46 -9.416 11.202 -2.298 1.00 0.00 C ATOM 622 O TRP A 46 -10.311 10.962 -3.107 1.00 0.00 O ATOM 623 CB TRP A 46 -7.455 9.850 -3.060 1.00 0.00 C ATOM 624 CG TRP A 46 -8.112 9.924 -4.405 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.606 8.880 -5.134 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.345 11.104 -5.181 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.133 9.341 -6.317 1.00 0.00 N ATOM 628 CE2 TRP A 46 -8.986 10.701 -6.369 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.077 12.462 -4.987 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.359 11.609 -7.357 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.449 13.361 -5.969 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.085 12.932 -7.141 1.00 0.00 C ATOM 0 H TRP A 46 -9.632 8.454 -2.254 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.842 10.484 -1.044 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.636 10.569 -3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.016 8.860 -2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.586 7.845 -4.826 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.564 8.763 -7.039 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.588 12.803 -4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.848 11.280 -8.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.246 14.413 -5.830 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.364 13.660 -7.889 1.00 0.00 H new ATOM 643 N ALA A 47 -9.260 12.391 -1.723 1.00 0.00 N ATOM 644 CA ALA A 47 -10.151 13.505 -2.020 1.00 0.00 C ATOM 645 C ALA A 47 -9.399 14.642 -2.704 1.00 0.00 C ATOM 646 O ALA A 47 -8.235 14.915 -2.408 1.00 0.00 O ATOM 647 CB ALA A 47 -10.817 14.003 -0.745 1.00 0.00 C ATOM 0 H ALA A 47 -8.525 12.606 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.921 13.149 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.480 14.835 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.395 13.195 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.054 14.336 -0.042 1.00 0.00 H new ATOM 653 N PRO A 48 -10.076 15.321 -3.641 1.00 0.00 N ATOM 654 CA PRO A 48 -9.491 16.439 -4.387 1.00 0.00 C ATOM 655 C PRO A 48 -9.275 17.669 -3.512 1.00 0.00 C ATOM 656 O PRO A 48 -8.796 18.701 -3.983 1.00 0.00 O ATOM 657 CB PRO A 48 -10.534 16.729 -5.469 1.00 0.00 C ATOM 658 CG PRO A 48 -11.819 16.238 -4.897 1.00 0.00 C ATOM 659 CD PRO A 48 -11.466 15.050 -4.045 1.00 0.00 C ATOM 0 HA PRO A 48 -8.505 16.194 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.583 17.794 -5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.293 16.215 -6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.304 17.013 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.516 15.958 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.126 14.964 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.548 14.117 -4.603 1.00 0.00 H new ATOM 667 N TRP A 49 -9.630 17.553 -2.238 1.00 0.00 N ATOM 668 CA TRP A 49 -9.474 18.657 -1.297 1.00 0.00 C ATOM 669 C TRP A 49 -8.416 18.333 -0.249 1.00 0.00 C ATOM 670 O TRP A 49 -7.423 19.048 -0.113 1.00 0.00 O ATOM 671 CB TRP A 49 -10.808 18.966 -0.615 1.00 0.00 C ATOM 672 CG TRP A 49 -11.585 17.738 -0.248 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.384 16.997 -1.071 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.638 17.110 1.038 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.931 15.946 -0.374 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.488 15.993 0.921 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.049 17.382 2.276 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.763 15.152 1.996 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.323 16.546 3.342 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.173 15.441 3.196 1.00 0.00 C ATOM 0 H TRP A 49 -10.028 16.706 -1.832 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.148 19.534 -1.856 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.621 19.552 0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.412 19.585 -1.278 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.560 17.206 -2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.564 15.245 -0.759 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.392 18.230 2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.419 14.301 1.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.875 16.748 4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.366 14.805 4.048 1.00 0.00 H new ATOM 691 N ALA A 50 -8.634 17.251 0.491 1.00 0.00 N ATOM 692 CA ALA A 50 -7.697 16.831 1.526 1.00 0.00 C ATOM 693 C ALA A 50 -6.260 16.878 1.018 1.00 0.00 C ATOM 694 O ALA A 50 -5.819 16.021 0.251 1.00 0.00 O ATOM 695 CB ALA A 50 -8.041 15.432 2.014 1.00 0.00 C ATOM 0 H ALA A 50 -9.452 16.649 0.393 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.782 17.526 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.333 15.132 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.050 15.428 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.987 14.732 1.180 1.00 0.00 H new ATOM 701 N PRO A 51 -5.511 17.902 1.452 1.00 0.00 N ATOM 702 CA PRO A 51 -4.112 18.085 1.053 1.00 0.00 C ATOM 703 C PRO A 51 -3.194 17.029 1.659 1.00 0.00 C ATOM 704 O PRO A 51 -1.982 17.052 1.445 1.00 0.00 O ATOM 705 CB PRO A 51 -3.766 19.472 1.601 1.00 0.00 C ATOM 706 CG PRO A 51 -4.702 19.674 2.742 1.00 0.00 C ATOM 707 CD PRO A 51 -5.971 18.960 2.367 1.00 0.00 C ATOM 0 HA PRO A 51 -3.980 17.992 -0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.727 19.520 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.897 20.242 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.285 19.271 3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.887 20.735 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.472 18.545 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.681 19.630 1.882 1.00 0.00 H new ATOM 715 N GLN A 52 -3.779 16.105 2.414 1.00 0.00 N ATOM 716 CA GLN A 52 -3.012 15.041 3.050 1.00 0.00 C ATOM 717 C GLN A 52 -2.748 13.901 2.071 1.00 0.00 C ATOM 718 O GLN A 52 -1.611 13.451 1.919 1.00 0.00 O ATOM 719 CB GLN A 52 -3.754 14.512 4.278 1.00 0.00 C ATOM 720 CG GLN A 52 -2.831 14.040 5.390 1.00 0.00 C ATOM 721 CD GLN A 52 -3.495 14.073 6.753 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.499 14.758 6.951 1.00 0.00 O ATOM 723 NE2 GLN A 52 -2.937 13.331 7.702 1.00 0.00 N ATOM 0 H GLN A 52 -4.781 16.072 2.600 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.054 15.456 3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.404 15.297 4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.397 13.686 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.500 13.024 5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.940 14.668 5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.105 12.778 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.340 13.314 8.639 1.00 0.00 H new ATOM 732 N CYS A 53 -3.803 13.438 1.411 1.00 0.00 N ATOM 733 CA CYS A 53 -3.686 12.349 0.447 1.00 0.00 C ATOM 734 C CYS A 53 -2.428 12.508 -0.401 1.00 0.00 C ATOM 735 O CYS A 53 -1.778 11.524 -0.755 1.00 0.00 O ATOM 736 CB CYS A 53 -4.920 12.302 -0.454 1.00 0.00 C ATOM 737 SG CYS A 53 -5.011 13.653 -1.652 1.00 0.00 S ATOM 0 H CYS A 53 -4.750 13.800 1.525 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.614 11.413 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.929 11.353 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.813 12.323 0.170 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.323 14.756 -1.039 1.00 0.00 H new ATOM 743 N ALA A 54 -2.091 13.752 -0.724 1.00 0.00 N ATOM 744 CA ALA A 54 -0.911 14.039 -1.530 1.00 0.00 C ATOM 745 C ALA A 54 0.224 13.073 -1.205 1.00 0.00 C ATOM 746 O ALA A 54 0.571 12.215 -2.016 1.00 0.00 O ATOM 747 CB ALA A 54 -0.461 15.477 -1.314 1.00 0.00 C ATOM 0 H ALA A 54 -2.619 14.577 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.177 13.907 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.421 15.677 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.263 16.156 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.219 15.628 -0.262 1.00 0.00 H new ATOM 753 N GLN A 55 0.798 13.221 -0.016 1.00 0.00 N ATOM 754 CA GLN A 55 1.895 12.362 0.414 1.00 0.00 C ATOM 755 C GLN A 55 1.486 10.893 0.370 1.00 0.00 C ATOM 756 O GLN A 55 2.290 10.025 0.033 1.00 0.00 O ATOM 757 CB GLN A 55 2.341 12.737 1.828 1.00 0.00 C ATOM 758 CG GLN A 55 1.214 12.711 2.848 1.00 0.00 C ATOM 759 CD GLN A 55 1.698 12.374 4.245 1.00 0.00 C ATOM 760 OE1 GLN A 55 2.969 12.650 4.513 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 0.939 11.872 5.074 1.00 0.00 N flip ATOM 0 H GLN A 55 0.522 13.927 0.667 1.00 0.00 H new ATOM 0 HA GLN A 55 2.728 12.509 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.125 12.050 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.780 13.735 1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.721 13.683 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.467 11.979 2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.031 11.677 4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.280 11.652 6.010 1.00 0.00 H new ATOM 770 N MET A 56 0.231 10.623 0.713 1.00 0.00 N ATOM 771 CA MET A 56 -0.285 9.259 0.712 1.00 0.00 C ATOM 772 C MET A 56 -0.299 8.685 -0.701 1.00 0.00 C ATOM 773 O MET A 56 -0.213 7.472 -0.889 1.00 0.00 O ATOM 774 CB MET A 56 -1.696 9.224 1.303 1.00 0.00 C ATOM 775 CG MET A 56 -1.827 9.993 2.608 1.00 0.00 C ATOM 776 SD MET A 56 -0.363 9.848 3.650 1.00 0.00 S ATOM 777 CE MET A 56 -0.079 8.081 3.590 1.00 0.00 C ATOM 0 H MET A 56 -0.447 11.330 0.995 1.00 0.00 H new ATOM 0 HA MET A 56 0.374 8.647 1.328 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.396 9.636 0.576 1.00 0.00 H new ATOM 0 HB3 MET A 56 -1.985 8.187 1.471 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.009 11.045 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.695 9.627 3.155 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.045 7.698 4.603 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.931 7.591 3.119 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.822 7.877 3.012 1.00 0.00 H new ATOM 787 N ASN A 57 -0.408 9.564 -1.692 1.00 0.00 N ATOM 788 CA ASN A 57 -0.434 9.143 -3.088 1.00 0.00 C ATOM 789 C ASN A 57 0.932 8.625 -3.525 1.00 0.00 C ATOM 790 O ASN A 57 1.048 7.519 -4.052 1.00 0.00 O ATOM 791 CB ASN A 57 -0.862 10.307 -3.985 1.00 0.00 C ATOM 792 CG ASN A 57 -0.962 9.905 -5.444 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.618 8.783 -5.816 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.436 10.823 -6.279 1.00 0.00 N ATOM 0 H ASN A 57 -0.480 10.572 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.157 8.333 -3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.827 10.686 -3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.146 11.123 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.527 10.610 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.709 11.740 -5.927 1.00 0.00 H new ATOM 801 N GLU A 58 1.964 9.433 -3.303 1.00 0.00 N ATOM 802 CA GLU A 58 3.323 9.055 -3.675 1.00 0.00 C ATOM 803 C GLU A 58 3.789 7.842 -2.875 1.00 0.00 C ATOM 804 O GLU A 58 4.528 6.998 -3.380 1.00 0.00 O ATOM 805 CB GLU A 58 4.281 10.227 -3.450 1.00 0.00 C ATOM 806 CG GLU A 58 4.768 10.349 -2.016 1.00 0.00 C ATOM 807 CD GLU A 58 6.035 9.556 -1.761 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.456 8.804 -2.664 1.00 0.00 O ATOM 809 OE2 GLU A 58 6.606 9.688 -0.658 1.00 0.00 O ATOM 0 H GLU A 58 1.885 10.352 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 58 3.323 8.792 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.142 10.113 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.782 11.153 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.948 11.399 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.986 10.004 -1.340 1.00 0.00 H new ATOM 816 N VAL A 59 3.351 7.764 -1.622 1.00 0.00 N ATOM 817 CA VAL A 59 3.722 6.655 -0.751 1.00 0.00 C ATOM 818 C VAL A 59 3.194 5.331 -1.291 1.00 0.00 C ATOM 819 O VAL A 59 3.898 4.322 -1.286 1.00 0.00 O ATOM 820 CB VAL A 59 3.189 6.862 0.679 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.248 5.561 1.465 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.974 7.957 1.386 1.00 0.00 C ATOM 0 H VAL A 59 2.739 8.455 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 59 4.811 6.625 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 59 2.147 7.174 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.867 5.727 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.639 4.807 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.280 5.215 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.584 8.090 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.026 7.675 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.875 8.891 0.833 1.00 0.00 H new ATOM 832 N MET A 60 1.950 5.343 -1.758 1.00 0.00 N ATOM 833 CA MET A 60 1.327 4.142 -2.304 1.00 0.00 C ATOM 834 C MET A 60 2.079 3.654 -3.539 1.00 0.00 C ATOM 835 O MET A 60 2.596 2.538 -3.560 1.00 0.00 O ATOM 836 CB MET A 60 -0.135 4.417 -2.659 1.00 0.00 C ATOM 837 CG MET A 60 -1.066 4.398 -1.457 1.00 0.00 C ATOM 838 SD MET A 60 -2.667 5.150 -1.806 1.00 0.00 S ATOM 839 CE MET A 60 -3.362 3.952 -2.943 1.00 0.00 C ATOM 0 H MET A 60 1.353 6.170 -1.770 1.00 0.00 H new ATOM 0 HA MET A 60 1.368 3.363 -1.543 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.205 5.389 -3.147 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.471 3.673 -3.381 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.216 3.368 -1.135 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.594 4.926 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.325 4.311 -3.306 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.684 3.815 -3.786 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.500 3.001 -2.429 1.00 0.00 H new ATOM 849 N ALA A 61 2.135 4.497 -4.564 1.00 0.00 N ATOM 850 CA ALA A 61 2.824 4.152 -5.801 1.00 0.00 C ATOM 851 C ALA A 61 4.133 3.423 -5.514 1.00 0.00 C ATOM 852 O ALA A 61 4.423 2.391 -6.117 1.00 0.00 O ATOM 853 CB ALA A 61 3.084 5.402 -6.628 1.00 0.00 C ATOM 0 H ALA A 61 1.711 5.425 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 61 2.181 3.481 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.599 5.128 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.136 5.881 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.704 6.093 -6.057 1.00 0.00 H new ATOM 859 N GLU A 62 4.919 3.969 -4.592 1.00 0.00 N ATOM 860 CA GLU A 62 6.198 3.370 -4.228 1.00 0.00 C ATOM 861 C GLU A 62 5.996 1.991 -3.608 1.00 0.00 C ATOM 862 O GLU A 62 6.828 1.097 -3.770 1.00 0.00 O ATOM 863 CB GLU A 62 6.950 4.276 -3.250 1.00 0.00 C ATOM 864 CG GLU A 62 7.540 5.516 -3.900 1.00 0.00 C ATOM 865 CD GLU A 62 8.945 5.288 -4.423 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.139 4.340 -5.212 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.851 6.060 -4.044 1.00 0.00 O ATOM 0 H GLU A 62 4.693 4.824 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 62 6.789 3.257 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.270 4.582 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.752 3.705 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.897 5.832 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.554 6.330 -3.175 1.00 0.00 H new ATOM 874 N LEU A 63 4.887 1.825 -2.896 1.00 0.00 N ATOM 875 CA LEU A 63 4.574 0.555 -2.250 1.00 0.00 C ATOM 876 C LEU A 63 4.104 -0.474 -3.273 1.00 0.00 C ATOM 877 O LEU A 63 4.473 -1.646 -3.203 1.00 0.00 O ATOM 878 CB LEU A 63 3.500 0.755 -1.179 1.00 0.00 C ATOM 879 CG LEU A 63 3.986 1.300 0.164 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.806 1.720 1.028 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.834 0.262 0.885 1.00 0.00 C ATOM 0 H LEU A 63 4.189 2.554 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 63 5.483 0.182 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.745 1.435 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.007 -0.201 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 63 4.604 2.178 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.171 2.105 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.238 2.497 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.162 0.859 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.171 0.667 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.240 -0.635 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.699 0.009 0.272 1.00 0.00 H new ATOM 893 N ALA A 64 3.288 -0.027 -4.222 1.00 0.00 N ATOM 894 CA ALA A 64 2.770 -0.909 -5.261 1.00 0.00 C ATOM 895 C ALA A 64 3.898 -1.680 -5.939 1.00 0.00 C ATOM 896 O ALA A 64 3.863 -2.908 -6.020 1.00 0.00 O ATOM 897 CB ALA A 64 1.985 -0.108 -6.289 1.00 0.00 C ATOM 0 H ALA A 64 2.972 0.940 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 64 2.102 -1.631 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.604 -0.779 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.150 0.394 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.638 0.636 -6.746 1.00 0.00 H new ATOM 903 N LYS A 65 4.898 -0.953 -6.425 1.00 0.00 N ATOM 904 CA LYS A 65 6.037 -1.568 -7.095 1.00 0.00 C ATOM 905 C LYS A 65 6.796 -2.488 -6.144 1.00 0.00 C ATOM 906 O LYS A 65 7.137 -3.616 -6.498 1.00 0.00 O ATOM 907 CB LYS A 65 6.978 -0.491 -7.639 1.00 0.00 C ATOM 908 CG LYS A 65 7.435 0.505 -6.587 1.00 0.00 C ATOM 909 CD LYS A 65 8.194 1.665 -7.209 1.00 0.00 C ATOM 910 CE LYS A 65 7.252 2.650 -7.884 1.00 0.00 C ATOM 911 NZ LYS A 65 7.962 3.508 -8.873 1.00 0.00 N ATOM 0 H LYS A 65 4.943 0.064 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 65 5.659 -2.165 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.853 -0.972 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.475 0.047 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.569 0.885 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.071 0.001 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.769 2.179 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.908 1.284 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.453 2.103 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.782 3.279 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.286 4.165 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.708 4.049 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.389 2.909 -9.609 1.00 0.00 H new ATOM 925 N GLU A 66 7.056 -1.999 -4.936 1.00 0.00 N ATOM 926 CA GLU A 66 7.774 -2.779 -3.934 1.00 0.00 C ATOM 927 C GLU A 66 7.046 -4.087 -3.639 1.00 0.00 C ATOM 928 O GLU A 66 7.672 -5.132 -3.459 1.00 0.00 O ATOM 929 CB GLU A 66 7.935 -1.970 -2.645 1.00 0.00 C ATOM 930 CG GLU A 66 8.730 -2.691 -1.570 1.00 0.00 C ATOM 931 CD GLU A 66 9.990 -3.339 -2.111 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.684 -2.695 -2.925 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.281 -4.489 -1.721 1.00 0.00 O ATOM 0 H GLU A 66 6.780 -1.067 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 66 8.761 -3.014 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.427 -1.026 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.948 -1.726 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.998 -1.983 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.102 -3.454 -1.110 1.00 0.00 H new ATOM 940 N LEU A 67 5.720 -4.021 -3.590 1.00 0.00 N ATOM 941 CA LEU A 67 4.905 -5.200 -3.316 1.00 0.00 C ATOM 942 C LEU A 67 3.983 -5.509 -4.491 1.00 0.00 C ATOM 943 O LEU A 67 2.833 -5.071 -4.541 1.00 0.00 O ATOM 944 CB LEU A 67 4.079 -4.989 -2.046 1.00 0.00 C ATOM 945 CG LEU A 67 4.861 -4.579 -0.797 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.910 -4.184 0.322 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.778 -5.707 -0.348 1.00 0.00 C ATOM 0 H LEU A 67 5.186 -3.164 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 67 5.574 -6.048 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.328 -4.225 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.543 -5.913 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 67 5.477 -3.714 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.484 -3.895 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.296 -3.344 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.268 -5.029 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.326 -5.398 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.182 -6.591 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.483 -5.942 -1.145 1.00 0.00 H new ATOM 959 N PRO A 68 4.495 -6.283 -5.458 1.00 0.00 N ATOM 960 CA PRO A 68 3.734 -6.671 -6.649 1.00 0.00 C ATOM 961 C PRO A 68 2.611 -7.651 -6.325 1.00 0.00 C ATOM 962 O PRO A 68 1.629 -7.748 -7.061 1.00 0.00 O ATOM 963 CB PRO A 68 4.784 -7.338 -7.541 1.00 0.00 C ATOM 964 CG PRO A 68 5.826 -7.830 -6.596 1.00 0.00 C ATOM 965 CD PRO A 68 5.859 -6.841 -5.464 1.00 0.00 C ATOM 0 HA PRO A 68 3.242 -5.817 -7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.352 -8.157 -8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.202 -6.631 -8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.584 -8.829 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.798 -7.895 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.100 -7.323 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.609 -6.067 -5.628 1.00 0.00 H new ATOM 973 N GLN A 69 2.762 -8.373 -5.220 1.00 0.00 N ATOM 974 CA GLN A 69 1.760 -9.345 -4.800 1.00 0.00 C ATOM 975 C GLN A 69 0.525 -8.647 -4.241 1.00 0.00 C ATOM 976 O GLN A 69 -0.556 -9.232 -4.174 1.00 0.00 O ATOM 977 CB GLN A 69 2.345 -10.292 -3.750 1.00 0.00 C ATOM 978 CG GLN A 69 2.590 -9.630 -2.404 1.00 0.00 C ATOM 979 CD GLN A 69 3.942 -8.949 -2.326 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.184 -7.945 -2.997 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.833 -9.492 -1.505 1.00 0.00 N ATOM 0 H GLN A 69 3.568 -8.303 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 69 1.463 -9.923 -5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.666 -11.134 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.285 -10.698 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.806 -8.896 -2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.519 -10.380 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.590 -10.324 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.760 -9.077 -1.412 1.00 0.00 H new ATOM 990 N VAL A 70 0.693 -7.391 -3.839 1.00 0.00 N ATOM 991 CA VAL A 70 -0.408 -6.612 -3.285 1.00 0.00 C ATOM 992 C VAL A 70 -1.079 -5.766 -4.362 1.00 0.00 C ATOM 993 O VAL A 70 -0.454 -5.401 -5.358 1.00 0.00 O ATOM 994 CB VAL A 70 0.072 -5.690 -2.149 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.106 -4.973 -1.508 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.851 -6.485 -1.112 1.00 0.00 C ATOM 0 H VAL A 70 1.581 -6.891 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.129 -7.324 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 70 0.737 -4.937 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.747 -4.326 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.618 -4.371 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.799 -5.707 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.183 -5.818 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.211 -7.261 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.718 -6.947 -1.584 1.00 0.00 H new ATOM 1006 N SER A 71 -2.354 -5.456 -4.154 1.00 0.00 N ATOM 1007 CA SER A 71 -3.112 -4.655 -5.109 1.00 0.00 C ATOM 1008 C SER A 71 -3.560 -3.340 -4.480 1.00 0.00 C ATOM 1009 O SER A 71 -4.337 -3.329 -3.524 1.00 0.00 O ATOM 1010 CB SER A 71 -4.329 -5.436 -5.610 1.00 0.00 C ATOM 1011 OG SER A 71 -3.987 -6.264 -6.707 1.00 0.00 O ATOM 0 H SER A 71 -2.884 -5.747 -3.333 1.00 0.00 H new ATOM 0 HA SER A 71 -2.461 -4.430 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.732 -6.046 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.115 -4.741 -5.906 1.00 0.00 H new ATOM 0 HG SER A 71 -4.168 -7.200 -6.480 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.066 -2.233 -5.023 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.414 -0.911 -4.515 1.00 0.00 C ATOM 1019 C PHE A 72 -4.477 -0.254 -5.391 1.00 0.00 C ATOM 1020 O PHE A 72 -4.295 -0.103 -6.599 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.170 -0.022 -4.450 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.191 -0.438 -3.390 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.333 -1.505 -3.601 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.127 0.238 -2.182 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.569 -1.891 -2.627 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.228 -0.142 -1.205 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.622 -1.208 -1.428 1.00 0.00 C ATOM 0 H PHE A 72 -2.423 -2.225 -5.815 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.819 -1.031 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.672 -0.037 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.478 1.007 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.369 -2.042 -4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.789 1.073 -2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.231 -2.726 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.189 0.393 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.327 -1.507 -0.666 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.588 0.134 -4.772 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.681 0.775 -5.494 1.00 0.00 C ATOM 1039 C VAL A 73 -7.126 2.054 -4.794 1.00 0.00 C ATOM 1040 O VAL A 73 -7.424 2.050 -3.600 1.00 0.00 O ATOM 1041 CB VAL A 73 -7.890 -0.169 -5.635 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.675 -1.145 -6.781 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.140 -0.911 -4.331 1.00 0.00 C ATOM 0 H VAL A 73 -5.755 0.016 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.304 1.021 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.772 0.430 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.539 -1.804 -6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.549 -0.591 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.782 -1.741 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.998 -1.574 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.260 -1.499 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.342 -0.193 -3.537 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.170 3.148 -5.546 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.581 4.436 -5.000 1.00 0.00 C ATOM 1055 C LYS A 74 -9.001 4.783 -5.435 1.00 0.00 C ATOM 1056 O LYS A 74 -9.346 4.670 -6.612 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.616 5.535 -5.449 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.760 5.911 -6.913 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.861 7.080 -7.281 1.00 0.00 C ATOM 1060 CE LYS A 74 -6.315 7.749 -8.569 1.00 0.00 C ATOM 1061 NZ LYS A 74 -5.676 7.136 -9.767 1.00 0.00 N ATOM 0 H LYS A 74 -6.926 3.169 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.560 4.365 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.779 6.422 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.593 5.205 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.513 5.051 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.798 6.169 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.862 7.810 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.835 6.730 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.399 7.672 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.073 8.811 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.971 7.652 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.642 7.186 -9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.968 6.141 -9.846 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.821 5.209 -4.480 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.204 5.575 -4.765 1.00 0.00 C ATOM 1077 C LEU A 75 -11.516 6.972 -4.241 1.00 0.00 C ATOM 1078 O LEU A 75 -11.180 7.309 -3.106 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.160 4.557 -4.140 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.630 4.973 -4.070 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.534 3.753 -4.145 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -13.901 5.762 -2.797 1.00 0.00 C ATOM 0 H LEU A 75 -9.552 5.309 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.339 5.575 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.092 3.629 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.816 4.338 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.847 5.614 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.576 4.069 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.360 3.228 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.315 3.086 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.952 6.050 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.666 5.145 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.279 6.657 -2.784 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.163 7.781 -5.074 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.522 9.142 -4.693 1.00 0.00 C ATOM 1096 C GLU A 76 -13.808 9.155 -3.871 1.00 0.00 C ATOM 1097 O GLU A 76 -14.891 8.888 -4.389 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.691 10.016 -5.938 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.348 11.478 -5.706 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.492 12.254 -5.083 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -14.343 12.766 -5.841 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.538 12.349 -3.839 1.00 0.00 O ATOM 0 H GLU A 76 -12.449 7.518 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.715 9.546 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.058 9.625 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.722 9.944 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.474 11.544 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.076 11.939 -6.656 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.677 9.468 -2.586 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.828 9.518 -1.692 1.00 0.00 C ATOM 1111 C ALA A 77 -15.961 10.336 -2.301 1.00 0.00 C ATOM 1112 O ALA A 77 -17.082 9.849 -2.444 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.423 10.096 -0.343 1.00 0.00 C ATOM 0 H ALA A 77 -12.787 9.691 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.188 8.500 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.292 10.128 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.652 9.469 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.035 11.105 -0.481 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.661 11.581 -2.657 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.657 12.466 -3.250 1.00 0.00 C ATOM 1121 C GLU A 78 -17.070 11.972 -4.633 1.00 0.00 C ATOM 1122 O GLU A 78 -18.113 12.362 -5.158 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.111 13.892 -3.347 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.986 14.590 -2.003 1.00 0.00 C ATOM 1125 CD GLU A 78 -16.081 16.099 -2.118 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -15.390 16.673 -2.984 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -16.847 16.705 -1.340 1.00 0.00 O ATOM 0 H GLU A 78 -14.737 11.999 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.536 12.464 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.132 13.865 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.765 14.479 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.770 14.230 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.033 14.323 -1.547 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.244 11.111 -5.219 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.539 10.578 -6.536 1.00 0.00 C ATOM 1136 C GLY A 79 -17.561 9.460 -6.493 1.00 0.00 C ATOM 1137 O GLY A 79 -18.433 9.372 -7.357 1.00 0.00 O ATOM 0 H GLY A 79 -15.375 10.773 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.909 11.380 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.619 10.208 -6.989 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.453 8.600 -5.485 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.375 7.481 -5.333 1.00 0.00 C ATOM 1143 C VAL A 80 -18.997 7.467 -3.941 1.00 0.00 C ATOM 1144 O VAL A 80 -18.570 6.733 -3.050 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.669 6.134 -5.581 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.684 5.003 -5.648 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.840 6.195 -6.855 1.00 0.00 C ATOM 0 H VAL A 80 -16.736 8.657 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.160 7.614 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.997 5.936 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -18.167 4.060 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -19.230 4.948 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.384 5.190 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.348 5.236 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.490 6.416 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.087 6.978 -6.762 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.033 8.297 -3.748 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.738 8.398 -2.467 1.00 0.00 C ATOM 1159 C PRO A 81 -21.555 7.149 -2.154 1.00 0.00 C ATOM 1160 O PRO A 81 -22.128 7.026 -1.073 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.660 9.604 -2.664 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.874 9.681 -4.136 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.596 9.200 -4.766 1.00 0.00 C ATOM 0 HA PRO A 81 -20.048 8.503 -1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.603 9.472 -2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.204 10.517 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.717 9.061 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.101 10.701 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.782 8.680 -5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.921 10.027 -4.987 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.602 6.224 -3.108 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.349 4.984 -2.933 1.00 0.00 C ATOM 1173 C GLU A 82 -21.698 4.102 -1.872 1.00 0.00 C ATOM 1174 O GLU A 82 -22.368 3.600 -0.969 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.439 4.225 -4.258 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.045 2.838 -4.126 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.556 2.872 -3.998 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.235 3.052 -5.030 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.058 2.718 -2.865 1.00 0.00 O ATOM 0 H GLU A 82 -21.132 6.310 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.355 5.240 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.035 4.807 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.440 4.136 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.771 2.241 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.621 2.342 -3.253 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.387 3.916 -1.988 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.644 3.095 -1.039 1.00 0.00 C ATOM 1188 C VAL A 83 -19.460 3.821 0.289 1.00 0.00 C ATOM 1189 O VAL A 83 -19.689 3.251 1.356 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.262 2.707 -1.595 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.499 1.860 -0.587 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.408 1.972 -2.919 1.00 0.00 C ATOM 0 H VAL A 83 -19.817 4.323 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.229 2.190 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.692 3.619 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.525 1.595 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.363 2.426 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.062 0.951 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.421 1.705 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.996 1.067 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.911 2.617 -3.640 1.00 0.00 H new ATOM 1202 N SER A 84 -19.045 5.082 0.216 1.00 0.00 N ATOM 1203 CA SER A 84 -18.827 5.885 1.413 1.00 0.00 C ATOM 1204 C SER A 84 -20.024 5.794 2.354 1.00 0.00 C ATOM 1205 O SER A 84 -19.869 5.803 3.575 1.00 0.00 O ATOM 1206 CB SER A 84 -18.572 7.345 1.033 1.00 0.00 C ATOM 1207 OG SER A 84 -17.768 7.437 -0.130 1.00 0.00 O ATOM 0 H SER A 84 -18.853 5.569 -0.659 1.00 0.00 H new ATOM 0 HA SER A 84 -17.951 5.493 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.522 7.851 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.081 7.859 1.860 1.00 0.00 H new ATOM 0 HG SER A 84 -17.621 8.380 -0.353 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.218 5.707 1.777 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.442 5.615 2.564 1.00 0.00 C ATOM 1215 C GLU A 85 -22.553 4.251 3.240 1.00 0.00 C ATOM 1216 O GLU A 85 -22.755 4.161 4.451 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.665 5.857 1.676 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.040 7.323 1.544 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.350 7.526 0.807 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.487 6.999 -0.316 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -26.238 8.213 1.355 1.00 0.00 O ATOM 0 H GLU A 85 -21.364 5.698 0.768 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.405 6.383 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.470 5.450 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.514 5.309 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -24.114 7.766 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.245 7.851 1.017 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.419 3.192 2.449 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.503 1.833 2.969 1.00 0.00 C ATOM 1230 C LYS A 86 -21.429 1.586 4.023 1.00 0.00 C ATOM 1231 O LYS A 86 -21.656 0.871 4.999 1.00 0.00 O ATOM 1232 CB LYS A 86 -22.358 0.820 1.831 1.00 0.00 C ATOM 1233 CG LYS A 86 -22.225 -0.616 2.308 1.00 0.00 C ATOM 1234 CD LYS A 86 -22.623 -1.603 1.223 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.470 -1.878 0.270 1.00 0.00 C ATOM 1236 NZ LYS A 86 -21.880 -2.760 -0.857 1.00 0.00 N ATOM 0 H LYS A 86 -22.252 3.249 1.444 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.480 1.709 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -23.225 0.897 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.483 1.079 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.196 -0.805 2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.851 -0.768 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -22.949 -2.537 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -23.472 -1.209 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.093 -0.935 -0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.650 -2.345 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -21.066 -2.923 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.216 -3.670 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.645 -2.304 -1.394 1.00 0.00 H new ATOM 1250 N TYR A 87 -20.260 2.183 3.821 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.150 2.027 4.753 1.00 0.00 C ATOM 1252 C TYR A 87 -19.111 3.181 5.751 1.00 0.00 C ATOM 1253 O TYR A 87 -18.416 3.115 6.764 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.825 1.950 3.994 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.690 0.712 3.136 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -18.641 0.405 2.171 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.611 -0.150 3.290 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -18.522 -0.726 1.385 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.483 -1.282 2.508 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.441 -1.565 1.558 1.00 0.00 C ATOM 1261 OH TYR A 87 -17.319 -2.691 0.776 1.00 0.00 O ATOM 0 H TYR A 87 -20.056 2.780 3.019 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.299 1.098 5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.726 2.833 3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -17.004 1.977 4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -19.488 1.061 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -15.859 0.069 4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -19.271 -0.951 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -15.638 -1.941 2.640 1.00 0.00 H new ATOM 0 HH TYR A 87 -16.502 -3.174 1.022 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.863 4.236 5.455 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.914 5.405 6.326 1.00 0.00 C ATOM 1273 C GLU A 88 -18.543 6.067 6.429 1.00 0.00 C ATOM 1274 O GLU A 88 -18.208 6.666 7.451 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.408 5.010 7.719 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.623 4.096 7.697 1.00 0.00 C ATOM 1277 CD GLU A 88 -21.784 3.310 8.984 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -20.763 2.824 9.513 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.930 3.181 9.461 1.00 0.00 O ATOM 0 H GLU A 88 -20.445 4.306 4.620 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.612 6.120 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.599 4.513 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.653 5.913 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.519 4.693 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.537 3.403 6.860 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.756 5.953 5.365 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.422 6.540 5.335 1.00 0.00 C ATOM 1288 C ILE A 89 -16.493 8.063 5.304 1.00 0.00 C ATOM 1289 O ILE A 89 -16.448 8.675 4.237 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.618 6.050 4.117 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.481 4.527 4.148 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.248 6.711 4.086 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.243 4.047 4.874 1.00 0.00 C ATOM 0 H ILE A 89 -18.019 5.459 4.512 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.916 6.220 6.246 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.154 6.329 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.362 4.101 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.461 4.151 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.692 6.354 3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.367 7.793 4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.702 6.460 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.211 2.958 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.355 4.444 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.270 4.393 5.907 1.00 0.00 H new ATOM 1305 N SER A 90 -16.602 8.669 6.482 1.00 0.00 N ATOM 1306 CA SER A 90 -16.681 10.121 6.591 1.00 0.00 C ATOM 1307 C SER A 90 -15.363 10.700 7.097 1.00 0.00 C ATOM 1308 O SER A 90 -15.350 11.609 7.927 1.00 0.00 O ATOM 1309 CB SER A 90 -17.821 10.523 7.529 1.00 0.00 C ATOM 1310 OG SER A 90 -17.670 9.920 8.802 1.00 0.00 O ATOM 0 H SER A 90 -16.638 8.177 7.375 1.00 0.00 H new ATOM 0 HA SER A 90 -16.878 10.525 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.842 11.607 7.637 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.776 10.227 7.094 1.00 0.00 H new ATOM 0 HG SER A 90 -18.410 10.194 9.383 1.00 0.00 H new ATOM 1316 N SER A 91 -14.256 10.167 6.589 1.00 0.00 N ATOM 1317 CA SER A 91 -12.932 10.628 6.991 1.00 0.00 C ATOM 1318 C SER A 91 -11.872 10.166 5.996 1.00 0.00 C ATOM 1319 O SER A 91 -11.869 9.013 5.564 1.00 0.00 O ATOM 1320 CB SER A 91 -12.594 10.113 8.391 1.00 0.00 C ATOM 1321 OG SER A 91 -12.856 8.724 8.501 1.00 0.00 O ATOM 0 H SER A 91 -14.250 9.416 5.899 1.00 0.00 H new ATOM 0 HA SER A 91 -12.941 11.718 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.544 10.306 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.179 10.656 9.133 1.00 0.00 H new ATOM 0 HG SER A 91 -12.630 8.419 9.405 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.971 11.075 5.637 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.903 10.762 4.694 1.00 0.00 C ATOM 1329 C VAL A 92 -8.621 11.506 5.050 1.00 0.00 C ATOM 1330 O VAL A 92 -8.642 12.566 5.675 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.307 11.119 3.251 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.232 10.056 2.678 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.963 12.490 3.205 1.00 0.00 C ATOM 0 H VAL A 92 -10.959 12.034 5.985 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.727 9.688 4.759 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.407 11.152 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.507 10.325 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.721 9.093 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.131 9.988 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.242 12.726 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.855 12.488 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.263 13.241 3.572 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.475 10.938 4.643 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.438 9.676 3.900 1.00 0.00 C ATOM 1345 C PRO A 93 -7.838 8.483 4.762 1.00 0.00 C ATOM 1346 O PRO A 93 -7.829 8.561 5.991 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.973 9.560 3.471 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.220 10.356 4.479 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.129 11.485 4.879 1.00 0.00 C ATOM 0 HA PRO A 93 -8.142 9.672 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.644 8.521 3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.823 9.951 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.956 9.744 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.288 10.735 4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.986 11.765 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.948 12.378 4.281 1.00 0.00 H new ATOM 1357 N THR A 94 -8.188 7.378 4.110 1.00 0.00 N ATOM 1358 CA THR A 94 -8.591 6.169 4.817 1.00 0.00 C ATOM 1359 C THR A 94 -8.340 4.927 3.969 1.00 0.00 C ATOM 1360 O THR A 94 -8.821 4.827 2.839 1.00 0.00 O ATOM 1361 CB THR A 94 -10.079 6.218 5.209 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.261 7.078 6.339 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.599 4.826 5.536 1.00 0.00 C ATOM 0 H THR A 94 -8.200 7.296 3.093 1.00 0.00 H new ATOM 0 HA THR A 94 -7.986 6.115 5.722 1.00 0.00 H new ATOM 0 HB THR A 94 -10.642 6.609 4.361 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.662 7.923 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.652 4.886 5.810 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.487 4.182 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.031 4.412 6.369 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.586 3.982 4.520 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.272 2.746 3.814 1.00 0.00 C ATOM 1373 C PHE A 95 -8.146 1.598 4.311 1.00 0.00 C ATOM 1374 O PHE A 95 -8.312 1.406 5.517 1.00 0.00 O ATOM 1375 CB PHE A 95 -5.794 2.392 3.994 1.00 0.00 C ATOM 1376 CG PHE A 95 -4.863 3.521 3.658 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.626 4.537 4.570 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.224 3.567 2.429 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.769 5.577 4.264 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.365 4.605 2.118 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.139 5.611 3.036 1.00 0.00 C ATOM 0 H PHE A 95 -7.181 4.049 5.454 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.475 2.901 2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.625 2.087 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.555 1.535 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.117 4.516 5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.399 2.784 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.592 6.362 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.871 4.629 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.470 6.424 2.794 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.702 0.837 3.375 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.560 -0.292 3.717 1.00 0.00 C ATOM 1393 C LEU A 96 -8.988 -1.596 3.169 1.00 0.00 C ATOM 1394 O LEU A 96 -8.970 -1.817 1.958 1.00 0.00 O ATOM 1395 CB LEU A 96 -10.971 -0.071 3.169 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.872 0.851 3.991 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.157 1.153 3.235 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.181 0.229 5.344 1.00 0.00 C ATOM 0 H LEU A 96 -8.574 0.981 2.373 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.606 -0.365 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.888 0.338 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.461 -1.041 3.080 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.343 1.789 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.786 1.810 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.917 1.642 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.690 0.223 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.823 0.900 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.690 -0.724 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.252 0.065 5.890 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.523 -2.457 4.068 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.951 -3.739 3.675 1.00 0.00 C ATOM 1412 C PHE A 97 -9.049 -4.766 3.412 1.00 0.00 C ATOM 1413 O PHE A 97 -9.900 -5.014 4.267 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.005 -4.254 4.761 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.861 -3.324 5.050 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -5.989 -2.322 5.999 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.659 -3.451 4.373 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -4.939 -1.465 6.268 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.606 -2.596 4.638 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.746 -1.601 5.585 1.00 0.00 C ATOM 0 H PHE A 97 -8.531 -2.290 5.074 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.388 -3.590 2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.571 -4.416 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.608 -5.222 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.920 -2.210 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.544 -4.226 3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.051 -0.690 7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.674 -2.706 4.104 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.925 -0.931 5.791 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.024 -5.359 2.223 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.017 -6.358 1.846 1.00 0.00 C ATOM 1432 C PHE A 98 -9.345 -7.668 1.443 1.00 0.00 C ATOM 1433 O PHE A 98 -8.669 -7.742 0.417 1.00 0.00 O ATOM 1434 CB PHE A 98 -10.881 -5.840 0.695 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.688 -4.624 1.052 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -12.806 -4.731 1.864 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.328 -3.374 0.575 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.550 -3.614 2.194 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.068 -2.253 0.903 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.181 -2.374 1.712 1.00 0.00 C ATOM 0 H PHE A 98 -8.327 -5.165 1.504 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.652 -6.547 2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.239 -5.604 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.556 -6.633 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.099 -5.699 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.460 -3.274 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.419 -3.711 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -11.776 -1.284 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 98 -13.762 -1.500 1.967 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.536 -8.699 2.258 1.00 0.00 N ATOM 1451 CA LYS A 99 -8.951 -10.007 1.988 1.00 0.00 C ATOM 1452 C LYS A 99 -10.022 -11.004 1.557 1.00 0.00 C ATOM 1453 O LYS A 99 -10.858 -11.416 2.359 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.223 -10.529 3.229 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.179 -11.589 2.921 1.00 0.00 C ATOM 1456 CD LYS A 99 -5.902 -10.971 2.377 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.015 -10.447 3.496 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.388 -11.553 4.271 1.00 0.00 N ATOM 0 H LYS A 99 -10.092 -8.654 3.112 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.235 -9.896 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.741 -9.693 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.955 -10.943 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.954 -12.154 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.580 -12.296 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.356 -11.714 1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.152 -10.156 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.236 -9.812 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.606 -9.824 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.577 -11.185 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.085 -11.954 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.063 -12.294 3.618 1.00 0.00 H new ATOM 1472 N ASN A 100 -9.988 -11.389 0.285 1.00 0.00 N ATOM 1473 CA ASN A 100 -10.956 -12.339 -0.252 1.00 0.00 C ATOM 1474 C ASN A 100 -12.352 -11.726 -0.296 1.00 0.00 C ATOM 1475 O ASN A 100 -13.345 -12.397 -0.012 1.00 0.00 O ATOM 1476 CB ASN A 100 -10.972 -13.614 0.592 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.399 -14.831 -0.206 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -11.648 -14.742 -1.409 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.486 -15.976 0.461 1.00 0.00 N ATOM 0 H ASN A 100 -9.301 -11.058 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.657 -12.589 -1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -9.978 -13.785 1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.650 -13.480 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.769 -16.828 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.270 -16.003 1.458 1.00 0.00 H new ATOM 1486 N SER A 101 -12.421 -10.448 -0.654 1.00 0.00 N ATOM 1487 CA SER A 101 -13.696 -9.744 -0.732 1.00 0.00 C ATOM 1488 C SER A 101 -14.345 -9.641 0.645 1.00 0.00 C ATOM 1489 O SER A 101 -15.564 -9.745 0.777 1.00 0.00 O ATOM 1490 CB SER A 101 -14.639 -10.459 -1.701 1.00 0.00 C ATOM 1491 OG SER A 101 -15.396 -11.454 -1.034 1.00 0.00 O ATOM 0 H SER A 101 -11.609 -9.879 -0.895 1.00 0.00 H new ATOM 0 HA SER A 101 -13.504 -8.736 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.310 -9.734 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.062 -10.915 -2.506 1.00 0.00 H new ATOM 0 HG SER A 101 -14.797 -12.158 -0.708 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.520 -9.435 1.667 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.013 -9.319 3.034 1.00 0.00 C ATOM 1499 C GLN A 102 -13.091 -8.441 3.872 1.00 0.00 C ATOM 1500 O GLN A 102 -11.934 -8.788 4.113 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.138 -10.703 3.673 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.378 -11.466 3.235 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.427 -12.873 3.797 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -15.163 -13.846 3.090 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -15.766 -12.988 5.075 1.00 0.00 N ATOM 0 H GLN A 102 -12.508 -9.345 1.574 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.997 -8.852 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.254 -11.290 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.153 -10.593 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.267 -10.921 3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.405 -11.513 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.977 -12.154 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.816 -13.910 5.508 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.609 -7.300 4.315 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.833 -6.370 5.127 1.00 0.00 C ATOM 1516 C LYS A 103 -12.295 -7.059 6.377 1.00 0.00 C ATOM 1517 O LYS A 103 -13.056 -7.630 7.159 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.692 -5.168 5.525 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.887 -3.992 6.050 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.764 -2.773 6.277 1.00 0.00 C ATOM 1521 CE LYS A 103 -15.084 -3.149 6.933 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.676 -2.007 7.683 1.00 0.00 N ATOM 0 H LYS A 103 -14.564 -6.997 4.125 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.989 -6.024 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.271 -4.844 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.405 -5.479 6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.401 -4.271 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.096 -3.746 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.236 -2.056 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.958 -2.280 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.786 -3.485 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.926 -3.987 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.574 -2.304 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.017 -1.702 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.850 -1.216 7.030 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.980 -7.000 6.560 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.341 -7.616 7.716 1.00 0.00 C ATOM 1538 C ILE A 104 -9.610 -6.577 8.559 1.00 0.00 C ATOM 1539 O ILE A 104 -9.339 -6.799 9.739 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.345 -8.711 7.292 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.245 -8.117 6.410 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.069 -9.833 6.563 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -7.055 -9.033 6.227 1.00 0.00 C ATOM 0 H ILE A 104 -10.336 -6.532 5.922 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.134 -8.069 8.311 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.882 -9.126 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.664 -7.879 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.906 -7.178 6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.351 -10.599 6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.818 -10.271 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.557 -9.434 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.316 -8.546 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.611 -9.251 7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.380 -9.963 5.760 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.294 -5.442 7.945 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.595 -4.366 8.639 1.00 0.00 C ATOM 1557 C ASP A 105 -9.019 -3.005 8.096 1.00 0.00 C ATOM 1558 O ASP A 105 -9.714 -2.918 7.084 1.00 0.00 O ATOM 1559 CB ASP A 105 -7.082 -4.537 8.498 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.311 -3.732 9.525 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.469 -4.005 10.733 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.549 -2.829 9.121 1.00 0.00 O ATOM 0 H ASP A 105 -9.511 -5.243 6.968 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.861 -4.415 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.827 -5.592 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.776 -4.232 7.497 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.597 -1.945 8.778 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.935 -0.588 8.365 1.00 0.00 C ATOM 1569 C ARG A 106 -8.009 0.428 9.029 1.00 0.00 C ATOM 1570 O ARG A 106 -7.854 0.437 10.250 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.390 -0.273 8.715 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.750 1.196 8.558 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.979 1.558 9.377 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.735 2.653 8.774 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.774 3.238 9.358 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -14.179 2.836 10.555 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -14.411 4.228 8.746 1.00 0.00 N ATOM 0 H ARG A 106 -8.021 -2.000 9.618 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.806 -0.521 7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -11.045 -0.869 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.581 -0.577 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.908 1.814 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.934 1.416 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.622 0.683 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.673 1.840 10.384 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.449 2.987 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.692 2.076 11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.977 3.287 11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.103 4.541 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -15.209 4.676 9.196 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.397 1.282 8.216 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.487 2.303 8.723 1.00 0.00 C ATOM 1593 C LEU A 107 -7.066 3.699 8.522 1.00 0.00 C ATOM 1594 O LEU A 107 -7.134 4.198 7.398 1.00 0.00 O ATOM 1595 CB LEU A 107 -5.130 2.196 8.026 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.919 2.660 8.837 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.649 2.556 8.007 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -4.122 4.085 9.329 1.00 0.00 C ATOM 0 H LEU A 107 -7.514 1.288 7.203 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.354 2.136 9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.973 1.156 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.170 2.778 7.105 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.815 2.009 9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.798 2.890 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.496 1.520 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.742 3.183 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.251 4.399 9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.252 4.750 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.009 4.129 9.961 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.482 4.325 9.617 1.00 0.00 N ATOM 1611 CA ASP A 108 -8.053 5.666 9.561 1.00 0.00 C ATOM 1612 C ASP A 108 -6.967 6.726 9.715 1.00 0.00 C ATOM 1613 O ASP A 108 -6.154 6.667 10.637 1.00 0.00 O ATOM 1614 CB ASP A 108 -9.110 5.839 10.652 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.526 5.733 12.047 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -7.625 4.892 12.250 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -8.969 6.490 12.936 1.00 0.00 O ATOM 0 H ASP A 108 -7.435 3.926 10.554 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.524 5.793 8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.592 6.810 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.884 5.082 10.527 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.959 7.695 8.805 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.967 8.754 8.857 1.00 0.00 C ATOM 1624 C GLY A 109 -4.804 8.505 7.918 1.00 0.00 C ATOM 1625 O GLY A 109 -4.563 7.371 7.504 1.00 0.00 O ATOM 0 H GLY A 109 -7.621 7.766 8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.439 9.703 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.593 8.848 9.877 1.00 0.00 H new ATOM 1629 N ALA A 110 -4.080 9.567 7.581 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.935 9.459 6.685 1.00 0.00 C ATOM 1631 C ALA A 110 -1.674 9.070 7.451 1.00 0.00 C ATOM 1632 O ALA A 110 -0.978 9.927 7.996 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.720 10.768 5.942 1.00 0.00 C ATOM 0 H ALA A 110 -4.266 10.513 7.915 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.146 8.673 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.862 10.672 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.608 11.004 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.535 11.568 6.659 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.387 7.773 7.488 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.209 7.271 8.188 1.00 0.00 C ATOM 1641 C HIS A 111 0.781 6.650 7.207 1.00 0.00 C ATOM 1642 O HIS A 111 0.504 5.614 6.603 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.616 6.240 9.241 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.385 6.826 10.386 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.780 7.415 11.475 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.718 6.911 10.605 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.707 7.837 12.317 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.892 7.543 11.812 1.00 0.00 N ATOM 0 H HIS A 111 -1.953 7.051 7.042 1.00 0.00 H new ATOM 0 HA HIS A 111 0.276 8.113 8.683 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.220 5.467 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.280 5.753 9.627 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.499 6.549 9.953 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.527 8.337 13.257 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.790 7.752 12.248 1.00 0.00 H new ATOM 1657 N ALA A 112 1.936 7.289 7.055 1.00 0.00 N ATOM 1658 CA ALA A 112 2.968 6.799 6.149 1.00 0.00 C ATOM 1659 C ALA A 112 3.521 5.459 6.622 1.00 0.00 C ATOM 1660 O ALA A 112 3.458 4.451 5.919 1.00 0.00 O ATOM 1661 CB ALA A 112 4.088 7.820 6.023 1.00 0.00 C ATOM 0 H ALA A 112 2.181 8.148 7.548 1.00 0.00 H new ATOM 0 HA ALA A 112 2.516 6.650 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.851 7.441 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.686 8.755 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.531 7.997 7.003 1.00 0.00 H new ATOM 1667 N PRO A 113 4.079 5.446 7.842 1.00 0.00 N ATOM 1668 CA PRO A 113 4.655 4.235 8.436 1.00 0.00 C ATOM 1669 C PRO A 113 3.591 3.207 8.804 1.00 0.00 C ATOM 1670 O PRO A 113 3.692 2.037 8.435 1.00 0.00 O ATOM 1671 CB PRO A 113 5.353 4.756 9.695 1.00 0.00 C ATOM 1672 CG PRO A 113 4.623 6.007 10.043 1.00 0.00 C ATOM 1673 CD PRO A 113 4.189 6.611 8.736 1.00 0.00 C ATOM 0 HA PRO A 113 5.321 3.719 7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.302 4.029 10.506 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.409 4.952 9.510 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.764 5.793 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.265 6.693 10.596 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.238 7.135 8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 113 4.916 7.334 8.366 1.00 0.00 H new ATOM 1681 N GLU A 114 2.571 3.651 9.532 1.00 0.00 N ATOM 1682 CA GLU A 114 1.488 2.768 9.949 1.00 0.00 C ATOM 1683 C GLU A 114 0.934 1.988 8.760 1.00 0.00 C ATOM 1684 O GLU A 114 0.712 0.780 8.844 1.00 0.00 O ATOM 1685 CB GLU A 114 0.369 3.574 10.611 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.390 2.799 11.675 1.00 0.00 C ATOM 1687 CD GLU A 114 0.395 2.656 12.965 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.607 2.364 12.893 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -0.204 2.837 14.046 1.00 0.00 O ATOM 0 H GLU A 114 2.472 4.617 9.845 1.00 0.00 H new ATOM 0 HA GLU A 114 1.890 2.058 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.795 4.471 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.332 3.905 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.334 3.303 11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.635 1.809 11.292 1.00 0.00 H new ATOM 1696 N LEU A 115 0.712 2.688 7.653 1.00 0.00 N ATOM 1697 CA LEU A 115 0.182 2.063 6.445 1.00 0.00 C ATOM 1698 C LEU A 115 1.012 0.844 6.055 1.00 0.00 C ATOM 1699 O LEU A 115 0.489 -0.264 5.934 1.00 0.00 O ATOM 1700 CB LEU A 115 0.161 3.070 5.294 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.250 2.519 3.928 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.663 1.960 3.981 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.141 3.599 2.862 1.00 0.00 C ATOM 0 H LEU A 115 0.891 3.689 7.566 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.837 1.735 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.521 3.879 5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.155 3.508 5.203 1.00 0.00 H new ATOM 0 HG LEU A 115 0.430 1.708 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.938 1.573 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.709 1.155 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.357 2.751 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.437 3.189 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.796 4.431 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.889 3.952 2.805 1.00 0.00 H new ATOM 1715 N THR A 116 2.310 1.056 5.860 1.00 0.00 N ATOM 1716 CA THR A 116 3.212 -0.025 5.485 1.00 0.00 C ATOM 1717 C THR A 116 3.073 -1.212 6.432 1.00 0.00 C ATOM 1718 O THR A 116 3.055 -2.365 6.001 1.00 0.00 O ATOM 1719 CB THR A 116 4.679 0.444 5.479 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.842 1.533 4.564 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.610 -0.695 5.091 1.00 0.00 C ATOM 0 H THR A 116 2.760 1.967 5.956 1.00 0.00 H new ATOM 0 HA THR A 116 2.933 -0.334 4.478 1.00 0.00 H new ATOM 0 HB THR A 116 4.935 0.775 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.777 1.826 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.640 -0.340 5.094 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.505 -1.510 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.352 -1.052 4.094 1.00 0.00 H new ATOM 1729 N LYS A 117 2.975 -0.922 7.725 1.00 0.00 N ATOM 1730 CA LYS A 117 2.836 -1.964 8.735 1.00 0.00 C ATOM 1731 C LYS A 117 1.708 -2.925 8.373 1.00 0.00 C ATOM 1732 O LYS A 117 1.942 -4.108 8.120 1.00 0.00 O ATOM 1733 CB LYS A 117 2.569 -1.342 10.107 1.00 0.00 C ATOM 1734 CG LYS A 117 3.648 -0.371 10.554 1.00 0.00 C ATOM 1735 CD LYS A 117 4.893 -1.101 11.029 1.00 0.00 C ATOM 1736 CE LYS A 117 6.089 -0.165 11.116 1.00 0.00 C ATOM 1737 NZ LYS A 117 6.194 0.479 12.455 1.00 0.00 N ATOM 0 H LYS A 117 2.989 0.027 8.098 1.00 0.00 H new ATOM 0 HA LYS A 117 3.770 -2.525 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.612 -0.822 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.479 -2.138 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.907 0.292 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.264 0.256 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.705 -1.545 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.119 -1.919 10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.002 -0.723 10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.004 0.605 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.021 1.109 12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.334 1.032 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.301 -0.254 13.185 1.00 0.00 H new ATOM 1751 N LYS A 118 0.484 -2.410 8.347 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.681 -3.221 8.013 1.00 0.00 C ATOM 1753 C LYS A 118 -0.532 -3.844 6.629 1.00 0.00 C ATOM 1754 O LYS A 118 -0.738 -5.045 6.452 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.953 -2.370 8.066 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.300 -1.884 9.462 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.258 -0.705 9.419 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.832 -0.402 10.795 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.788 0.093 11.735 1.00 0.00 N ATOM 0 H LYS A 118 0.273 -1.434 8.553 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.756 -4.023 8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.831 -1.508 7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.787 -2.953 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.749 -2.698 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.388 -1.595 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.738 0.174 9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.070 -0.920 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.621 0.344 10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.291 -1.302 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.780 -0.501 12.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.857 0.049 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.997 1.077 11.999 1.00 0.00 H new ATOM 1773 N VAL A 119 -0.170 -3.020 5.650 1.00 0.00 N ATOM 1774 CA VAL A 119 0.009 -3.491 4.282 1.00 0.00 C ATOM 1775 C VAL A 119 0.867 -4.751 4.243 1.00 0.00 C ATOM 1776 O VAL A 119 0.436 -5.791 3.746 1.00 0.00 O ATOM 1777 CB VAL A 119 0.662 -2.412 3.398 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.021 -2.983 2.035 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.261 -1.211 3.255 1.00 0.00 C ATOM 0 H VAL A 119 0.005 -2.023 5.779 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.984 -3.718 3.893 1.00 0.00 H new ATOM 0 HB VAL A 119 1.582 -2.080 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.481 -2.206 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.721 -3.809 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.118 -3.344 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.216 -0.458 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.198 -1.525 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.463 -0.788 4.239 1.00 0.00 H new ATOM 1789 N GLN A 120 2.083 -4.650 4.770 1.00 0.00 N ATOM 1790 CA GLN A 120 3.001 -5.782 4.795 1.00 0.00 C ATOM 1791 C GLN A 120 2.430 -6.928 5.623 1.00 0.00 C ATOM 1792 O GLN A 120 2.379 -8.071 5.167 1.00 0.00 O ATOM 1793 CB GLN A 120 4.356 -5.354 5.362 1.00 0.00 C ATOM 1794 CG GLN A 120 5.019 -4.236 4.574 1.00 0.00 C ATOM 1795 CD GLN A 120 5.883 -4.753 3.441 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.172 -5.947 3.360 1.00 0.00 O ATOM 1797 NE2 GLN A 120 6.301 -3.855 2.557 1.00 0.00 N ATOM 0 H GLN A 120 2.455 -3.796 5.185 1.00 0.00 H new ATOM 0 HA GLN A 120 3.136 -6.130 3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.223 -5.030 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.021 -6.217 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.251 -3.578 4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.631 -3.635 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.038 -2.875 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 120 6.885 -4.145 1.773 1.00 0.00 H new ATOM 1806 N ARG A 121 2.001 -6.615 6.842 1.00 0.00 N ATOM 1807 CA ARG A 121 1.435 -7.620 7.734 1.00 0.00 C ATOM 1808 C ARG A 121 0.489 -8.548 6.977 1.00 0.00 C ATOM 1809 O ARG A 121 0.713 -9.757 6.906 1.00 0.00 O ATOM 1810 CB ARG A 121 0.690 -6.946 8.888 1.00 0.00 C ATOM 1811 CG ARG A 121 0.279 -7.907 9.991 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.634 -7.234 11.004 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.695 -7.974 12.262 1.00 0.00 N ATOM 1814 CZ ARG A 121 -1.666 -7.825 13.156 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -2.653 -6.969 12.931 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -1.651 -8.534 14.278 1.00 0.00 N ATOM 0 H ARG A 121 2.035 -5.674 7.234 1.00 0.00 H new ATOM 0 HA ARG A 121 2.254 -8.215 8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.324 -6.168 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.200 -6.454 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.230 -8.767 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.168 -8.285 10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.279 -6.222 11.196 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.637 -7.146 10.586 1.00 0.00 H new ATOM 0 HE ARG A 121 0.049 -8.642 12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.668 -6.423 12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.397 -6.857 13.619 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.893 -9.194 14.454 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.397 -8.419 14.964 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.569 -7.974 6.413 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.549 -8.750 5.661 1.00 0.00 C ATOM 1832 C HIS A 122 -0.936 -9.303 4.378 1.00 0.00 C ATOM 1833 O HIS A 122 -1.058 -10.491 4.083 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.767 -7.887 5.328 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.445 -7.317 6.535 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.937 -8.096 7.561 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.711 -6.034 6.878 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.477 -7.318 8.482 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -4.353 -6.062 8.092 1.00 0.00 N ATOM 0 H HIS A 122 -0.770 -6.975 6.462 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.866 -9.588 6.282 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.456 -7.070 4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.484 -8.486 4.768 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.891 -9.114 7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.464 -5.153 6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.941 -7.652 9.398 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.279 -8.432 3.620 1.00 0.00 N ATOM 1849 CA ALA A 123 0.354 -8.834 2.369 1.00 0.00 C ATOM 1850 C ALA A 123 1.254 -10.048 2.574 1.00 0.00 C ATOM 1851 O ALA A 123 1.630 -10.722 1.616 1.00 0.00 O ATOM 1852 CB ALA A 123 1.151 -7.676 1.786 1.00 0.00 C ATOM 0 H ALA A 123 -0.171 -7.444 3.850 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.431 -9.112 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.618 -7.989 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.484 -6.836 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.922 -7.372 2.494 1.00 0.00 H new ATOM 1858 N SER A 124 1.596 -10.320 3.830 1.00 0.00 N ATOM 1859 CA SER A 124 2.456 -11.450 4.160 1.00 0.00 C ATOM 1860 C SER A 124 1.653 -12.570 4.816 1.00 0.00 C ATOM 1861 O SER A 124 1.334 -12.507 6.003 1.00 0.00 O ATOM 1862 CB SER A 124 3.585 -11.004 5.091 1.00 0.00 C ATOM 1863 OG SER A 124 4.684 -11.897 5.023 1.00 0.00 O ATOM 0 H SER A 124 1.291 -9.773 4.635 1.00 0.00 H new ATOM 0 HA SER A 124 2.887 -11.830 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.910 -10.000 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.217 -10.952 6.116 1.00 0.00 H new ATOM 0 HG SER A 124 5.393 -11.590 5.625 1.00 0.00 H new ATOM 1869 N SER A 125 1.330 -13.594 4.033 1.00 0.00 N ATOM 1870 CA SER A 125 0.561 -14.727 4.535 1.00 0.00 C ATOM 1871 C SER A 125 1.486 -15.847 5.001 1.00 0.00 C ATOM 1872 O SER A 125 1.520 -16.188 6.183 1.00 0.00 O ATOM 1873 CB SER A 125 -0.385 -15.249 3.452 1.00 0.00 C ATOM 1874 OG SER A 125 0.336 -15.687 2.313 1.00 0.00 O ATOM 0 H SER A 125 1.589 -13.663 3.049 1.00 0.00 H new ATOM 0 HA SER A 125 -0.027 -14.386 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.979 -16.072 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.083 -14.463 3.164 1.00 0.00 H new ATOM 0 HG SER A 125 -0.291 -16.017 1.636 1.00 0.00 H new ATOM 1880 N GLY A 126 2.236 -16.417 4.062 1.00 0.00 N ATOM 1881 CA GLY A 126 3.151 -17.493 4.395 1.00 0.00 C ATOM 1882 C GLY A 126 4.583 -17.015 4.530 1.00 0.00 C ATOM 1883 O GLY A 126 4.845 -15.856 4.852 1.00 0.00 O ATOM 0 H GLY A 126 2.226 -16.153 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.836 -17.957 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.099 -18.262 3.624 1.00 0.00 H new ATOM 1887 N PRO A 127 5.539 -17.922 4.281 1.00 0.00 N ATOM 1888 CA PRO A 127 6.969 -17.610 4.371 1.00 0.00 C ATOM 1889 C PRO A 127 7.429 -16.674 3.259 1.00 0.00 C ATOM 1890 O PRO A 127 6.860 -16.665 2.167 1.00 0.00 O ATOM 1891 CB PRO A 127 7.640 -18.978 4.232 1.00 0.00 C ATOM 1892 CG PRO A 127 6.660 -19.805 3.474 1.00 0.00 C ATOM 1893 CD PRO A 127 5.299 -19.321 3.892 1.00 0.00 C ATOM 0 HA PRO A 127 7.216 -17.092 5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 127 8.588 -18.902 3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 127 7.856 -19.414 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 127 6.802 -19.691 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 127 6.784 -20.864 3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 127 4.579 -19.394 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 127 4.902 -19.906 4.721 1.00 0.00 H new ATOM 1901 N SER A 128 8.464 -15.889 3.542 1.00 0.00 N ATOM 1902 CA SER A 128 8.999 -14.947 2.566 1.00 0.00 C ATOM 1903 C SER A 128 8.897 -15.513 1.153 1.00 0.00 C ATOM 1904 O SER A 128 9.322 -16.638 0.891 1.00 0.00 O ATOM 1905 CB SER A 128 10.456 -14.616 2.891 1.00 0.00 C ATOM 1906 OG SER A 128 10.912 -13.515 2.124 1.00 0.00 O ATOM 0 H SER A 128 8.949 -15.887 4.439 1.00 0.00 H new ATOM 0 HA SER A 128 8.407 -14.033 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 128 10.552 -14.389 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 128 11.083 -15.486 2.693 1.00 0.00 H new ATOM 0 HG SER A 128 11.846 -13.322 2.351 1.00 0.00 H new ATOM 1912 N SER A 129 8.329 -14.725 0.246 1.00 0.00 N ATOM 1913 CA SER A 129 8.167 -15.147 -1.141 1.00 0.00 C ATOM 1914 C SER A 129 8.414 -13.983 -2.096 1.00 0.00 C ATOM 1915 O SER A 129 7.610 -13.056 -2.183 1.00 0.00 O ATOM 1916 CB SER A 129 6.764 -15.715 -1.362 1.00 0.00 C ATOM 1917 OG SER A 129 6.558 -16.883 -0.587 1.00 0.00 O ATOM 0 H SER A 129 7.973 -13.790 0.446 1.00 0.00 H new ATOM 0 HA SER A 129 8.903 -15.924 -1.347 1.00 0.00 H new ATOM 0 HB2 SER A 129 6.019 -14.964 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 129 6.624 -15.946 -2.418 1.00 0.00 H new ATOM 0 HG SER A 129 6.632 -16.661 0.365 1.00 0.00 H new ATOM 1923 N GLY A 130 9.534 -14.040 -2.811 1.00 0.00 N ATOM 1924 CA GLY A 130 9.868 -12.986 -3.751 1.00 0.00 C ATOM 1925 C GLY A 130 11.029 -12.134 -3.277 1.00 0.00 C ATOM 1926 O GLY A 130 12.173 -12.588 -3.257 1.00 0.00 O ATOM 0 H GLY A 130 10.215 -14.797 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 130 10.116 -13.429 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.995 -12.352 -3.906 1.00 0.00 H new TER 1930 GLY A 130