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 Single : A 1 GLY N :NH3+ 135:sc= 0.026 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00579 USER MOD Single : A 5 SER OG : rot 7:sc= 0.167 USER MOD Single : A 6 SER OG : rot 0:sc= 1.05 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 28 GLN : amide:sc=-0.00609 K(o=-0.0061,f=-0.68) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-3.4!) USER MOD Single : A 52 GLN : amide:sc= -0.752 K(o=-0.75,f=-2.4!) USER MOD Single : A 53 CYS SG : rot -60:sc= 0.176 USER MOD Single : A 55 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.03) USER MOD Single : A 56 MET CE :methyl -121:sc= -1.51 (180deg=-6.09!) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 MET CE :methyl -170:sc= -1.31 (180deg=-1.59) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.263 K(o=0.26,f=-8.2!) USER MOD Single : A 71 SER OG : rot 144:sc= -0.365 USER MOD Single : A 74 LYS NZ :NH3+ -108:sc= 0.709 (180deg=-2.03!) USER MOD Single : A 84 SER OG : rot 178:sc= 0.0334 USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.065) USER MOD Single : A 87 TYR OH : rot -59:sc= 0.794 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 145:sc= 0.778 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= 0.0457 (180deg=-0.145) USER MOD Single : A 100 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.35) USER MOD Single : A 101 SER OG : rot -56:sc= 0.0873 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= -0.294 X(o=-0.29,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 163:sc= -0.0154 (180deg=-0.211) USER MOD Single : A 118 LYS NZ :NH3+ -176:sc= -0.44 (180deg=-0.472) USER MOD Single : A 120 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.5) USER MOD Single : A 122 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.6!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -21:sc= 0.786 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.400 -35.864 -5.913 1.00 0.00 N ATOM 2 CA GLY A 1 36.744 -34.972 -6.850 1.00 0.00 C ATOM 3 C GLY A 1 36.112 -33.775 -6.167 1.00 0.00 C ATOM 4 O GLY A 1 35.660 -33.871 -5.026 1.00 0.00 O ATOM 0 H1 GLY A 1 37.149 -36.848 -6.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.431 -35.745 -5.984 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.091 -35.640 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.470 -34.625 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.977 -35.523 -7.394 1.00 0.00 H new ATOM 8 N SER A 2 36.081 -32.645 -6.865 1.00 0.00 N ATOM 9 CA SER A 2 35.505 -31.423 -6.316 1.00 0.00 C ATOM 10 C SER A 2 34.028 -31.308 -6.679 1.00 0.00 C ATOM 11 O SER A 2 33.490 -32.141 -7.409 1.00 0.00 O ATOM 12 CB SER A 2 36.265 -30.199 -6.832 1.00 0.00 C ATOM 13 OG SER A 2 36.270 -30.161 -8.248 1.00 0.00 O ATOM 0 H SER A 2 36.448 -32.550 -7.812 1.00 0.00 H new ATOM 0 HA SER A 2 35.593 -31.465 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.805 -29.291 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 2 37.290 -30.221 -6.462 1.00 0.00 H new ATOM 0 HG SER A 2 36.760 -29.369 -8.552 1.00 0.00 H new ATOM 19 N SER A 3 33.377 -30.270 -6.165 1.00 0.00 N ATOM 20 CA SER A 3 31.961 -30.047 -6.431 1.00 0.00 C ATOM 21 C SER A 3 31.746 -28.717 -7.148 1.00 0.00 C ATOM 22 O SER A 3 32.688 -27.958 -7.368 1.00 0.00 O ATOM 23 CB SER A 3 31.165 -30.068 -5.124 1.00 0.00 C ATOM 24 OG SER A 3 29.796 -30.344 -5.365 1.00 0.00 O ATOM 0 H SER A 3 33.808 -29.570 -5.562 1.00 0.00 H new ATOM 0 HA SER A 3 31.607 -30.851 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.579 -30.822 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.262 -29.106 -4.620 1.00 0.00 H new ATOM 0 HG SER A 3 29.310 -30.354 -4.514 1.00 0.00 H new ATOM 30 N GLY A 4 30.496 -28.443 -7.511 1.00 0.00 N ATOM 31 CA GLY A 4 30.178 -27.206 -8.200 1.00 0.00 C ATOM 32 C GLY A 4 28.762 -26.739 -7.928 1.00 0.00 C ATOM 33 O GLY A 4 27.884 -27.543 -7.617 1.00 0.00 O ATOM 0 H GLY A 4 29.699 -29.056 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.879 -26.431 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.311 -27.346 -9.273 1.00 0.00 H new ATOM 37 N SER A 5 28.539 -25.433 -8.044 1.00 0.00 N ATOM 38 CA SER A 5 27.221 -24.859 -7.803 1.00 0.00 C ATOM 39 C SER A 5 26.979 -23.655 -8.708 1.00 0.00 C ATOM 40 O SER A 5 27.913 -22.941 -9.072 1.00 0.00 O ATOM 41 CB SER A 5 27.082 -24.444 -6.337 1.00 0.00 C ATOM 42 OG SER A 5 26.922 -25.576 -5.500 1.00 0.00 O ATOM 0 H SER A 5 29.254 -24.753 -8.303 1.00 0.00 H new ATOM 0 HA SER A 5 26.474 -25.620 -8.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.964 -23.882 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.225 -23.780 -6.223 1.00 0.00 H new ATOM 0 HG SER A 5 27.044 -26.393 -6.028 1.00 0.00 H new ATOM 48 N SER A 6 25.718 -23.437 -9.068 1.00 0.00 N ATOM 49 CA SER A 6 25.352 -22.322 -9.934 1.00 0.00 C ATOM 50 C SER A 6 23.872 -21.983 -9.788 1.00 0.00 C ATOM 51 O SER A 6 23.004 -22.760 -10.183 1.00 0.00 O ATOM 52 CB SER A 6 25.668 -22.658 -11.393 1.00 0.00 C ATOM 53 OG SER A 6 27.067 -22.695 -11.617 1.00 0.00 O ATOM 0 H SER A 6 24.933 -24.018 -8.773 1.00 0.00 H new ATOM 0 HA SER A 6 25.937 -21.453 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.230 -23.622 -11.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.211 -21.916 -12.047 1.00 0.00 H new ATOM 0 HG SER A 6 27.538 -22.495 -10.781 1.00 0.00 H new ATOM 59 N GLY A 7 23.592 -20.816 -9.215 1.00 0.00 N ATOM 60 CA GLY A 7 22.217 -20.394 -9.025 1.00 0.00 C ATOM 61 C GLY A 7 22.068 -18.886 -9.033 1.00 0.00 C ATOM 62 O GLY A 7 22.329 -18.224 -8.028 1.00 0.00 O ATOM 0 H GLY A 7 24.293 -20.156 -8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.597 -20.822 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.847 -20.788 -8.078 1.00 0.00 H new ATOM 66 N MET A 8 21.648 -18.340 -10.170 1.00 0.00 N ATOM 67 CA MET A 8 21.465 -16.900 -10.304 1.00 0.00 C ATOM 68 C MET A 8 20.324 -16.584 -11.266 1.00 0.00 C ATOM 69 O MET A 8 20.427 -16.828 -12.467 1.00 0.00 O ATOM 70 CB MET A 8 22.757 -16.243 -10.794 1.00 0.00 C ATOM 71 CG MET A 8 23.948 -16.492 -9.883 1.00 0.00 C ATOM 72 SD MET A 8 24.825 -18.015 -10.286 1.00 0.00 S ATOM 73 CE MET A 8 26.484 -17.602 -9.753 1.00 0.00 C ATOM 0 H MET A 8 21.428 -18.873 -11.011 1.00 0.00 H new ATOM 0 HA MET A 8 21.211 -16.499 -9.323 1.00 0.00 H new ATOM 0 HB2 MET A 8 22.989 -16.616 -11.792 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.597 -15.169 -10.884 1.00 0.00 H new ATOM 0 HG2 MET A 8 24.637 -15.651 -9.955 1.00 0.00 H new ATOM 0 HG3 MET A 8 23.606 -16.537 -8.849 1.00 0.00 H new ATOM 0 HE1 MET A 8 27.147 -18.448 -9.938 1.00 0.00 H new ATOM 0 HE2 MET A 8 26.839 -16.734 -10.309 1.00 0.00 H new ATOM 0 HE3 MET A 8 26.477 -17.372 -8.688 1.00 0.00 H new ATOM 83 N ALA A 9 19.237 -16.040 -10.729 1.00 0.00 N ATOM 84 CA ALA A 9 18.078 -15.689 -11.540 1.00 0.00 C ATOM 85 C ALA A 9 18.046 -14.193 -11.835 1.00 0.00 C ATOM 86 O ALA A 9 17.960 -13.373 -10.922 1.00 0.00 O ATOM 87 CB ALA A 9 16.796 -16.119 -10.842 1.00 0.00 C ATOM 0 H ALA A 9 19.135 -15.833 -9.736 1.00 0.00 H new ATOM 0 HA ALA A 9 18.157 -16.218 -12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 9 15.938 -15.851 -11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.809 -17.198 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.721 -15.617 -9.878 1.00 0.00 H new ATOM 93 N ALA A 10 18.117 -13.846 -13.116 1.00 0.00 N ATOM 94 CA ALA A 10 18.095 -12.449 -13.531 1.00 0.00 C ATOM 95 C ALA A 10 16.958 -11.693 -12.853 1.00 0.00 C ATOM 96 O ALA A 10 17.162 -10.616 -12.294 1.00 0.00 O ATOM 97 CB ALA A 10 17.970 -12.350 -15.044 1.00 0.00 C ATOM 0 H ALA A 10 18.190 -14.513 -13.884 1.00 0.00 H new ATOM 0 HA ALA A 10 19.035 -11.989 -13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.955 -11.301 -15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.819 -12.847 -15.513 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.046 -12.831 -15.365 1.00 0.00 H new ATOM 103 N GLY A 11 15.758 -12.263 -12.908 1.00 0.00 N ATOM 104 CA GLY A 11 14.606 -11.628 -12.296 1.00 0.00 C ATOM 105 C GLY A 11 13.424 -11.537 -13.241 1.00 0.00 C ATOM 106 O GLY A 11 12.806 -10.482 -13.373 1.00 0.00 O ATOM 0 H GLY A 11 15.563 -13.154 -13.366 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.315 -12.189 -11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.880 -10.626 -11.965 1.00 0.00 H new ATOM 110 N ALA A 12 13.111 -12.647 -13.903 1.00 0.00 N ATOM 111 CA ALA A 12 11.995 -12.688 -14.840 1.00 0.00 C ATOM 112 C ALA A 12 10.762 -12.005 -14.257 1.00 0.00 C ATOM 113 O ALA A 12 10.057 -12.580 -13.428 1.00 0.00 O ATOM 114 CB ALA A 12 11.675 -14.127 -15.217 1.00 0.00 C ATOM 0 H ALA A 12 13.614 -13.529 -13.807 1.00 0.00 H new ATOM 0 HA ALA A 12 12.288 -12.145 -15.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.840 -14.143 -15.917 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.548 -14.584 -15.683 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.408 -14.687 -14.321 1.00 0.00 H new ATOM 120 N ALA A 13 10.509 -10.777 -14.695 1.00 0.00 N ATOM 121 CA ALA A 13 9.361 -10.017 -14.217 1.00 0.00 C ATOM 122 C ALA A 13 8.294 -9.895 -15.300 1.00 0.00 C ATOM 123 O ALA A 13 8.472 -9.175 -16.282 1.00 0.00 O ATOM 124 CB ALA A 13 9.799 -8.637 -13.748 1.00 0.00 C ATOM 0 H ALA A 13 11.084 -10.287 -15.380 1.00 0.00 H new ATOM 0 HA ALA A 13 8.927 -10.554 -13.374 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.931 -8.081 -13.394 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.520 -8.740 -12.937 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.260 -8.100 -14.577 1.00 0.00 H new ATOM 130 N GLU A 14 7.185 -10.605 -15.114 1.00 0.00 N ATOM 131 CA GLU A 14 6.091 -10.577 -16.077 1.00 0.00 C ATOM 132 C GLU A 14 5.391 -9.220 -16.067 1.00 0.00 C ATOM 133 O GLU A 14 5.347 -8.541 -15.042 1.00 0.00 O ATOM 134 CB GLU A 14 5.082 -11.685 -15.769 1.00 0.00 C ATOM 135 CG GLU A 14 4.513 -11.616 -14.361 1.00 0.00 C ATOM 136 CD GLU A 14 3.555 -10.456 -14.176 1.00 0.00 C ATOM 137 OE1 GLU A 14 2.595 -10.346 -14.967 1.00 0.00 O ATOM 138 OE2 GLU A 14 3.765 -9.658 -13.238 1.00 0.00 O ATOM 0 H GLU A 14 7.021 -11.206 -14.306 1.00 0.00 H new ATOM 0 HA GLU A 14 6.511 -10.743 -17.069 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.263 -11.629 -16.486 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.563 -12.653 -15.910 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.996 -12.549 -14.136 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.331 -11.524 -13.647 1.00 0.00 H new ATOM 145 N ALA A 15 4.847 -8.833 -17.215 1.00 0.00 N ATOM 146 CA ALA A 15 4.148 -7.560 -17.339 1.00 0.00 C ATOM 147 C ALA A 15 3.363 -7.239 -16.071 1.00 0.00 C ATOM 148 O ALA A 15 2.345 -7.869 -15.784 1.00 0.00 O ATOM 149 CB ALA A 15 3.221 -7.581 -18.545 1.00 0.00 C ATOM 0 H ALA A 15 4.877 -9.383 -18.073 1.00 0.00 H new ATOM 0 HA ALA A 15 4.893 -6.777 -17.482 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.706 -6.624 -18.625 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.804 -7.756 -19.449 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.488 -8.379 -18.426 1.00 0.00 H new ATOM 155 N ALA A 16 3.843 -6.256 -15.316 1.00 0.00 N ATOM 156 CA ALA A 16 3.185 -5.852 -14.080 1.00 0.00 C ATOM 157 C ALA A 16 3.170 -4.334 -13.938 1.00 0.00 C ATOM 158 O ALA A 16 4.221 -3.693 -13.906 1.00 0.00 O ATOM 159 CB ALA A 16 3.873 -6.489 -12.882 1.00 0.00 C ATOM 0 H ALA A 16 4.685 -5.725 -15.539 1.00 0.00 H new ATOM 0 HA ALA A 16 2.152 -6.198 -14.118 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.371 -6.178 -11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.827 -7.574 -12.971 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.915 -6.172 -12.850 1.00 0.00 H new ATOM 165 N VAL A 17 1.972 -3.763 -13.853 1.00 0.00 N ATOM 166 CA VAL A 17 1.821 -2.320 -13.713 1.00 0.00 C ATOM 167 C VAL A 17 1.889 -1.899 -12.250 1.00 0.00 C ATOM 168 O VAL A 17 1.149 -2.412 -11.411 1.00 0.00 O ATOM 169 CB VAL A 17 0.488 -1.835 -14.314 1.00 0.00 C ATOM 170 CG1 VAL A 17 0.334 -0.333 -14.131 1.00 0.00 C ATOM 171 CG2 VAL A 17 0.398 -2.213 -15.785 1.00 0.00 C ATOM 0 H VAL A 17 1.092 -4.278 -13.879 1.00 0.00 H new ATOM 0 HA VAL A 17 2.646 -1.861 -14.258 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.329 -2.327 -13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.613 -0.009 -14.562 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.350 -0.092 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.155 0.181 -14.632 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.550 -1.863 -16.193 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.221 -1.751 -16.330 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.458 -3.297 -15.887 1.00 0.00 H new ATOM 181 N ALA A 18 2.782 -0.962 -11.951 1.00 0.00 N ATOM 182 CA ALA A 18 2.946 -0.469 -10.588 1.00 0.00 C ATOM 183 C ALA A 18 2.230 0.863 -10.397 1.00 0.00 C ATOM 184 O ALA A 18 2.790 1.804 -9.835 1.00 0.00 O ATOM 185 CB ALA A 18 4.423 -0.330 -10.251 1.00 0.00 C ATOM 0 H ALA A 18 3.403 -0.529 -12.634 1.00 0.00 H new ATOM 0 HA ALA A 18 2.497 -1.194 -9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.530 0.039 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.909 -1.302 -10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.889 0.373 -10.942 1.00 0.00 H new ATOM 191 N ALA A 19 0.989 0.936 -10.867 1.00 0.00 N ATOM 192 CA ALA A 19 0.196 2.153 -10.746 1.00 0.00 C ATOM 193 C ALA A 19 -1.130 1.878 -10.045 1.00 0.00 C ATOM 194 O ALA A 19 -1.673 0.777 -10.134 1.00 0.00 O ATOM 195 CB ALA A 19 -0.047 2.764 -12.118 1.00 0.00 C ATOM 0 H ALA A 19 0.511 0.166 -11.335 1.00 0.00 H new ATOM 0 HA ALA A 19 0.757 2.863 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.640 3.672 -12.012 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.909 3.007 -12.582 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.584 2.051 -12.744 1.00 0.00 H new ATOM 201 N VAL A 20 -1.646 2.885 -9.347 1.00 0.00 N ATOM 202 CA VAL A 20 -2.909 2.750 -8.631 1.00 0.00 C ATOM 203 C VAL A 20 -4.095 2.970 -9.563 1.00 0.00 C ATOM 204 O VAL A 20 -4.162 3.974 -10.272 1.00 0.00 O ATOM 205 CB VAL A 20 -2.999 3.747 -7.460 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.315 3.580 -6.717 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.818 3.568 -6.517 1.00 0.00 C ATOM 0 H VAL A 20 -1.209 3.803 -9.262 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.943 1.734 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.963 4.759 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.361 4.292 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.144 3.762 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.385 2.566 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.897 4.280 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.821 2.553 -6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.889 3.742 -7.060 1.00 0.00 H new ATOM 217 N GLU A 21 -5.029 2.025 -9.556 1.00 0.00 N ATOM 218 CA GLU A 21 -6.214 2.116 -10.402 1.00 0.00 C ATOM 219 C GLU A 21 -7.194 3.149 -9.856 1.00 0.00 C ATOM 220 O GLU A 21 -7.364 3.279 -8.644 1.00 0.00 O ATOM 221 CB GLU A 21 -6.899 0.751 -10.507 1.00 0.00 C ATOM 222 CG GLU A 21 -6.121 -0.259 -11.332 1.00 0.00 C ATOM 223 CD GLU A 21 -6.372 -1.688 -10.893 1.00 0.00 C ATOM 224 OE1 GLU A 21 -5.963 -2.043 -9.767 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.976 -2.452 -11.675 1.00 0.00 O ATOM 0 H GLU A 21 -4.989 1.188 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.896 2.432 -11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.048 0.351 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.887 0.883 -10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.394 -0.152 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.056 -0.041 -11.256 1.00 0.00 H new ATOM 232 N GLU A 22 -7.837 3.883 -10.760 1.00 0.00 N ATOM 233 CA GLU A 22 -8.799 4.906 -10.368 1.00 0.00 C ATOM 234 C GLU A 22 -10.228 4.385 -10.493 1.00 0.00 C ATOM 235 O GLU A 22 -10.733 4.184 -11.597 1.00 0.00 O ATOM 236 CB GLU A 22 -8.624 6.158 -11.230 1.00 0.00 C ATOM 237 CG GLU A 22 -8.540 5.866 -12.718 1.00 0.00 C ATOM 238 CD GLU A 22 -8.660 7.117 -13.566 1.00 0.00 C ATOM 239 OE1 GLU A 22 -9.289 8.091 -13.100 1.00 0.00 O ATOM 240 OE2 GLU A 22 -8.127 7.123 -14.695 1.00 0.00 O ATOM 0 H GLU A 22 -7.709 3.788 -11.767 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.614 5.163 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.459 6.834 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.719 6.679 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.592 5.374 -12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.331 5.168 -12.993 1.00 0.00 H new ATOM 247 N VAL A 23 -10.874 4.167 -9.351 1.00 0.00 N ATOM 248 CA VAL A 23 -12.244 3.670 -9.331 1.00 0.00 C ATOM 249 C VAL A 23 -13.240 4.810 -9.152 1.00 0.00 C ATOM 250 O VAL A 23 -13.340 5.398 -8.076 1.00 0.00 O ATOM 251 CB VAL A 23 -12.451 2.641 -8.204 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.900 2.177 -8.164 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.510 1.459 -8.382 1.00 0.00 C ATOM 0 H VAL A 23 -10.470 4.327 -8.428 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.419 3.186 -10.292 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.221 3.120 -7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.027 1.450 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.551 3.033 -7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.161 1.715 -9.116 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.670 0.742 -7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.707 0.978 -9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.478 1.809 -8.357 1.00 0.00 H new ATOM 263 N GLY A 24 -13.977 5.118 -10.216 1.00 0.00 N ATOM 264 CA GLY A 24 -14.956 6.187 -10.156 1.00 0.00 C ATOM 265 C GLY A 24 -16.381 5.671 -10.196 1.00 0.00 C ATOM 266 O GLY A 24 -17.263 6.310 -10.769 1.00 0.00 O ATOM 0 H GLY A 24 -13.913 4.646 -11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.806 6.762 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.796 6.869 -10.991 1.00 0.00 H new ATOM 270 N SER A 25 -16.606 4.511 -9.588 1.00 0.00 N ATOM 271 CA SER A 25 -17.933 3.907 -9.562 1.00 0.00 C ATOM 272 C SER A 25 -17.962 2.701 -8.628 1.00 0.00 C ATOM 273 O SER A 25 -16.972 1.982 -8.493 1.00 0.00 O ATOM 274 CB SER A 25 -18.352 3.485 -10.971 1.00 0.00 C ATOM 275 OG SER A 25 -17.564 2.403 -11.436 1.00 0.00 O ATOM 0 H SER A 25 -15.887 3.971 -9.107 1.00 0.00 H new ATOM 0 HA SER A 25 -18.637 4.651 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.404 3.199 -10.970 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.252 4.330 -11.652 1.00 0.00 H new ATOM 0 HG SER A 25 -17.853 2.152 -12.338 1.00 0.00 H new ATOM 281 N ALA A 26 -19.105 2.485 -7.985 1.00 0.00 N ATOM 282 CA ALA A 26 -19.265 1.366 -7.065 1.00 0.00 C ATOM 283 C ALA A 26 -19.164 0.033 -7.800 1.00 0.00 C ATOM 284 O ALA A 26 -18.611 -0.934 -7.278 1.00 0.00 O ATOM 285 CB ALA A 26 -20.595 1.469 -6.335 1.00 0.00 C ATOM 0 H ALA A 26 -19.934 3.071 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.458 1.410 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.701 0.627 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.629 2.401 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.410 1.453 -7.059 1.00 0.00 H new ATOM 291 N GLY A 27 -19.704 -0.010 -9.014 1.00 0.00 N ATOM 292 CA GLY A 27 -19.665 -1.229 -9.800 1.00 0.00 C ATOM 293 C GLY A 27 -18.250 -1.714 -10.049 1.00 0.00 C ATOM 294 O GLY A 27 -17.966 -2.905 -9.932 1.00 0.00 O ATOM 0 H GLY A 27 -20.168 0.777 -9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.227 -2.008 -9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.160 -1.057 -10.756 1.00 0.00 H new ATOM 298 N GLN A 28 -17.362 -0.787 -10.395 1.00 0.00 N ATOM 299 CA GLN A 28 -15.970 -1.128 -10.664 1.00 0.00 C ATOM 300 C GLN A 28 -15.295 -1.685 -9.415 1.00 0.00 C ATOM 301 O GLN A 28 -14.683 -2.753 -9.452 1.00 0.00 O ATOM 302 CB GLN A 28 -15.210 0.102 -11.164 1.00 0.00 C ATOM 303 CG GLN A 28 -13.913 -0.235 -11.883 1.00 0.00 C ATOM 304 CD GLN A 28 -13.225 0.991 -12.451 1.00 0.00 C ATOM 305 OE1 GLN A 28 -12.127 1.353 -12.028 1.00 0.00 O ATOM 306 NE2 GLN A 28 -13.869 1.638 -13.415 1.00 0.00 N ATOM 0 H GLN A 28 -17.581 0.204 -10.495 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.953 -1.896 -11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.853 0.667 -11.838 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.988 0.751 -10.317 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.238 -0.737 -11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.121 -0.937 -12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.778 1.303 -13.735 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.455 2.470 -13.835 1.00 0.00 H new ATOM 315 N PHE A 29 -15.409 -0.954 -8.311 1.00 0.00 N ATOM 316 CA PHE A 29 -14.808 -1.375 -7.051 1.00 0.00 C ATOM 317 C PHE A 29 -15.337 -2.741 -6.625 1.00 0.00 C ATOM 318 O PHE A 29 -14.580 -3.705 -6.519 1.00 0.00 O ATOM 319 CB PHE A 29 -15.091 -0.343 -5.957 1.00 0.00 C ATOM 320 CG PHE A 29 -14.806 -0.845 -4.570 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.551 -1.331 -4.240 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.793 -0.832 -3.598 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.285 -1.794 -2.965 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.533 -1.293 -2.321 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.278 -1.775 -2.005 1.00 0.00 C ATOM 0 H PHE A 29 -15.912 -0.068 -8.263 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.731 -1.452 -7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.489 0.546 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.136 -0.039 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.772 -1.348 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.777 -0.458 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.303 -2.170 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.310 -1.276 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.073 -2.137 -1.008 1.00 0.00 H new ATOM 335 N GLU A 30 -16.642 -2.815 -6.383 1.00 0.00 N ATOM 336 CA GLU A 30 -17.272 -4.062 -5.968 1.00 0.00 C ATOM 337 C GLU A 30 -16.838 -5.217 -6.866 1.00 0.00 C ATOM 338 O GLU A 30 -16.621 -6.333 -6.397 1.00 0.00 O ATOM 339 CB GLU A 30 -18.796 -3.925 -5.997 1.00 0.00 C ATOM 340 CG GLU A 30 -19.373 -3.276 -4.750 1.00 0.00 C ATOM 341 CD GLU A 30 -20.790 -3.729 -4.458 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.687 -3.436 -5.276 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.001 -4.378 -3.413 1.00 0.00 O ATOM 0 H GLU A 30 -17.283 -2.026 -6.467 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.953 -4.277 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.083 -3.336 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.239 -4.913 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.738 -3.510 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.359 -2.193 -4.870 1.00 0.00 H new ATOM 350 N GLU A 31 -16.714 -4.938 -8.160 1.00 0.00 N ATOM 351 CA GLU A 31 -16.307 -5.953 -9.124 1.00 0.00 C ATOM 352 C GLU A 31 -14.882 -6.426 -8.848 1.00 0.00 C ATOM 353 O GLU A 31 -14.640 -7.616 -8.643 1.00 0.00 O ATOM 354 CB GLU A 31 -16.406 -5.404 -10.549 1.00 0.00 C ATOM 355 CG GLU A 31 -15.795 -6.318 -11.597 1.00 0.00 C ATOM 356 CD GLU A 31 -16.342 -6.060 -12.988 1.00 0.00 C ATOM 357 OE1 GLU A 31 -17.380 -6.660 -13.337 1.00 0.00 O ATOM 358 OE2 GLU A 31 -15.733 -5.258 -13.726 1.00 0.00 O ATOM 0 H GLU A 31 -16.889 -4.018 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.980 -6.804 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.455 -5.236 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.910 -4.434 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.713 -6.183 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.984 -7.356 -11.323 1.00 0.00 H new ATOM 365 N LEU A 32 -13.944 -5.486 -8.844 1.00 0.00 N ATOM 366 CA LEU A 32 -12.542 -5.805 -8.594 1.00 0.00 C ATOM 367 C LEU A 32 -12.403 -6.749 -7.404 1.00 0.00 C ATOM 368 O LEU A 32 -11.697 -7.756 -7.476 1.00 0.00 O ATOM 369 CB LEU A 32 -11.745 -4.525 -8.339 1.00 0.00 C ATOM 370 CG LEU A 32 -10.248 -4.595 -8.642 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.975 -4.197 -10.084 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.468 -3.706 -7.684 1.00 0.00 C ATOM 0 H LEU A 32 -14.128 -4.497 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.145 -6.303 -9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.180 -3.725 -8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.871 -4.245 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.917 -5.624 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.904 -4.253 -10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.503 -4.875 -10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.322 -3.177 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.404 -3.768 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.803 -2.674 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.638 -4.038 -6.660 1.00 0.00 H new ATOM 384 N LEU A 33 -13.082 -6.419 -6.311 1.00 0.00 N ATOM 385 CA LEU A 33 -13.036 -7.239 -5.105 1.00 0.00 C ATOM 386 C LEU A 33 -13.114 -8.722 -5.452 1.00 0.00 C ATOM 387 O LEU A 33 -12.487 -9.556 -4.797 1.00 0.00 O ATOM 388 CB LEU A 33 -14.183 -6.862 -4.165 1.00 0.00 C ATOM 389 CG LEU A 33 -13.915 -5.697 -3.212 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.216 -5.191 -2.609 1.00 0.00 C ATOM 391 CD2 LEU A 33 -12.945 -6.115 -2.117 1.00 0.00 C ATOM 0 H LEU A 33 -13.671 -5.590 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.087 -7.052 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.056 -6.617 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.442 -7.738 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.461 -4.885 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.006 -4.362 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.878 -4.851 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.698 -5.997 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.766 -5.273 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.370 -6.944 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.002 -6.428 -2.566 1.00 0.00 H new ATOM 403 N ARG A 34 -13.884 -9.043 -6.486 1.00 0.00 N ATOM 404 CA ARG A 34 -14.042 -10.426 -6.920 1.00 0.00 C ATOM 405 C ARG A 34 -12.742 -10.962 -7.513 1.00 0.00 C ATOM 406 O ARG A 34 -12.213 -11.978 -7.059 1.00 0.00 O ATOM 407 CB ARG A 34 -15.167 -10.534 -7.951 1.00 0.00 C ATOM 408 CG ARG A 34 -16.481 -9.928 -7.484 1.00 0.00 C ATOM 409 CD ARG A 34 -17.029 -10.657 -6.267 1.00 0.00 C ATOM 410 NE ARG A 34 -17.535 -11.985 -6.606 1.00 0.00 N ATOM 411 CZ ARG A 34 -18.752 -12.206 -7.090 1.00 0.00 C ATOM 412 NH1 ARG A 34 -19.584 -11.192 -7.290 1.00 0.00 N ATOM 413 NH2 ARG A 34 -19.140 -13.442 -7.374 1.00 0.00 N ATOM 0 H ARG A 34 -14.408 -8.365 -7.039 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.298 -11.027 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.855 -10.039 -8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.327 -11.585 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.332 -8.876 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.210 -9.969 -8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.245 -10.749 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.830 -10.067 -5.821 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.920 -12.786 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.290 -10.240 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.518 -11.364 -7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.504 -14.224 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.075 -13.610 -7.746 1.00 0.00 H new ATOM 427 N LEU A 35 -12.232 -10.273 -8.527 1.00 0.00 N ATOM 428 CA LEU A 35 -10.994 -10.679 -9.183 1.00 0.00 C ATOM 429 C LEU A 35 -9.837 -10.711 -8.189 1.00 0.00 C ATOM 430 O LEU A 35 -9.117 -11.705 -8.090 1.00 0.00 O ATOM 431 CB LEU A 35 -10.666 -9.726 -10.334 1.00 0.00 C ATOM 432 CG LEU A 35 -11.508 -9.888 -11.600 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.296 -11.266 -12.208 1.00 0.00 C ATOM 434 CD2 LEU A 35 -12.981 -9.659 -11.294 1.00 0.00 C ATOM 0 H LEU A 35 -12.657 -9.430 -8.913 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.136 -11.684 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.778 -8.703 -9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.617 -9.857 -10.600 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.188 -9.140 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.903 -11.364 -13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.244 -11.393 -12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.589 -12.030 -11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.565 -9.778 -12.207 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.315 -10.384 -10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.119 -8.651 -10.904 1.00 0.00 H new ATOM 446 N LYS A 36 -9.666 -9.618 -7.453 1.00 0.00 N ATOM 447 CA LYS A 36 -8.599 -9.521 -6.464 1.00 0.00 C ATOM 448 C LYS A 36 -9.068 -10.036 -5.106 1.00 0.00 C ATOM 449 O LYS A 36 -8.684 -9.505 -4.065 1.00 0.00 O ATOM 450 CB LYS A 36 -8.125 -8.072 -6.336 1.00 0.00 C ATOM 451 CG LYS A 36 -7.788 -7.422 -7.667 1.00 0.00 C ATOM 452 CD LYS A 36 -6.559 -8.053 -8.300 1.00 0.00 C ATOM 453 CE LYS A 36 -6.505 -7.788 -9.797 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.544 -8.692 -10.486 1.00 0.00 N ATOM 0 H LYS A 36 -10.253 -8.787 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.768 -10.140 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.901 -7.487 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.245 -8.042 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.637 -7.517 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.616 -6.356 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.661 -7.657 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.567 -9.128 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.499 -7.920 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.218 -6.751 -9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.537 -8.480 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.591 -8.548 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.832 -9.681 -10.341 1.00 0.00 H new ATOM 468 N ALA A 37 -9.898 -11.073 -5.126 1.00 0.00 N ATOM 469 CA ALA A 37 -10.415 -11.661 -3.897 1.00 0.00 C ATOM 470 C ALA A 37 -9.323 -12.416 -3.147 1.00 0.00 C ATOM 471 O ALA A 37 -9.219 -12.326 -1.923 1.00 0.00 O ATOM 472 CB ALA A 37 -11.583 -12.587 -4.205 1.00 0.00 C ATOM 0 H ALA A 37 -10.227 -11.523 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.766 -10.852 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.959 -13.019 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.378 -12.021 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.249 -13.385 -4.868 1.00 0.00 H new ATOM 478 N LYS A 38 -8.510 -13.161 -3.888 1.00 0.00 N ATOM 479 CA LYS A 38 -7.424 -13.932 -3.294 1.00 0.00 C ATOM 480 C LYS A 38 -6.251 -13.027 -2.928 1.00 0.00 C ATOM 481 O LYS A 38 -5.485 -13.329 -2.013 1.00 0.00 O ATOM 482 CB LYS A 38 -6.957 -15.023 -4.261 1.00 0.00 C ATOM 483 CG LYS A 38 -6.093 -14.501 -5.396 1.00 0.00 C ATOM 484 CD LYS A 38 -5.219 -15.598 -5.980 1.00 0.00 C ATOM 485 CE LYS A 38 -5.917 -16.318 -7.124 1.00 0.00 C ATOM 486 NZ LYS A 38 -5.246 -17.603 -7.462 1.00 0.00 N ATOM 0 H LYS A 38 -8.583 -13.247 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.799 -14.398 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.396 -15.774 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.830 -15.523 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.729 -14.086 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.464 -13.688 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.283 -15.168 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.963 -16.315 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.955 -16.511 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.932 -15.674 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.752 -18.063 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.263 -17.417 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.254 -18.228 -6.631 1.00 0.00 H new ATOM 500 N SER A 39 -6.119 -11.917 -3.647 1.00 0.00 N ATOM 501 CA SER A 39 -5.039 -10.970 -3.398 1.00 0.00 C ATOM 502 C SER A 39 -5.475 -9.896 -2.406 1.00 0.00 C ATOM 503 O SER A 39 -6.646 -9.518 -2.358 1.00 0.00 O ATOM 504 CB SER A 39 -4.592 -10.319 -4.709 1.00 0.00 C ATOM 505 OG SER A 39 -4.203 -11.297 -5.658 1.00 0.00 O ATOM 0 H SER A 39 -6.746 -11.652 -4.406 1.00 0.00 H new ATOM 0 HA SER A 39 -4.201 -11.518 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.405 -9.717 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.759 -9.643 -4.517 1.00 0.00 H new ATOM 0 HG SER A 39 -3.924 -10.855 -6.487 1.00 0.00 H new ATOM 511 N LEU A 40 -4.525 -9.408 -1.616 1.00 0.00 N ATOM 512 CA LEU A 40 -4.809 -8.377 -0.624 1.00 0.00 C ATOM 513 C LEU A 40 -5.171 -7.058 -1.299 1.00 0.00 C ATOM 514 O LEU A 40 -4.356 -6.466 -2.007 1.00 0.00 O ATOM 515 CB LEU A 40 -3.602 -8.179 0.294 1.00 0.00 C ATOM 516 CG LEU A 40 -3.669 -6.980 1.241 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.742 -7.192 2.297 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.315 -6.740 1.893 1.00 0.00 C ATOM 0 H LEU A 40 -3.551 -9.710 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.661 -8.705 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.473 -9.082 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.712 -8.077 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.932 -6.096 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.774 -6.328 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.711 -7.313 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.511 -8.086 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.381 -5.883 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.023 -7.623 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.570 -6.541 1.122 1.00 0.00 H new ATOM 530 N LEU A 41 -6.399 -6.602 -1.073 1.00 0.00 N ATOM 531 CA LEU A 41 -6.869 -5.350 -1.657 1.00 0.00 C ATOM 532 C LEU A 41 -6.759 -4.206 -0.654 1.00 0.00 C ATOM 533 O LEU A 41 -6.968 -4.395 0.544 1.00 0.00 O ATOM 534 CB LEU A 41 -8.318 -5.496 -2.125 1.00 0.00 C ATOM 535 CG LEU A 41 -8.786 -4.494 -3.181 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.325 -4.923 -4.565 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.300 -4.348 -3.143 1.00 0.00 C ATOM 0 H LEU A 41 -7.086 -7.080 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.238 -5.118 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.451 -6.502 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.970 -5.409 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.341 -3.524 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.667 -4.198 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.236 -4.976 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.740 -5.903 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.616 -3.631 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.764 -5.314 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.607 -3.994 -2.159 1.00 0.00 H new ATOM 549 N VAL A 42 -6.431 -3.019 -1.153 1.00 0.00 N ATOM 550 CA VAL A 42 -6.296 -1.843 -0.301 1.00 0.00 C ATOM 551 C VAL A 42 -6.944 -0.621 -0.945 1.00 0.00 C ATOM 552 O VAL A 42 -6.403 -0.043 -1.887 1.00 0.00 O ATOM 553 CB VAL A 42 -4.817 -1.530 -0.005 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.696 -0.267 0.834 1.00 0.00 C ATOM 555 CG2 VAL A 42 -4.153 -2.709 0.690 1.00 0.00 C ATOM 0 H VAL A 42 -6.254 -2.846 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.805 -2.070 0.635 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.303 -1.359 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.644 -0.062 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.133 0.572 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.224 -0.405 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.109 -2.471 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.667 -2.914 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.207 -3.588 0.047 1.00 0.00 H new ATOM 565 N VAL A 43 -8.105 -0.234 -0.428 1.00 0.00 N ATOM 566 CA VAL A 43 -8.827 0.921 -0.951 1.00 0.00 C ATOM 567 C VAL A 43 -8.427 2.196 -0.218 1.00 0.00 C ATOM 568 O VAL A 43 -8.735 2.370 0.962 1.00 0.00 O ATOM 569 CB VAL A 43 -10.351 0.730 -0.834 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.082 1.984 -1.287 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.800 -0.479 -1.640 1.00 0.00 C ATOM 0 H VAL A 43 -8.566 -0.702 0.352 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.560 1.012 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.598 0.552 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.157 1.831 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.782 2.826 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.831 2.196 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.879 -0.599 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.541 -0.334 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.302 -1.372 -1.264 1.00 0.00 H new ATOM 581 N HIS A 44 -7.741 3.088 -0.925 1.00 0.00 N ATOM 582 CA HIS A 44 -7.300 4.350 -0.342 1.00 0.00 C ATOM 583 C HIS A 44 -8.265 5.478 -0.694 1.00 0.00 C ATOM 584 O HIS A 44 -8.597 5.683 -1.861 1.00 0.00 O ATOM 585 CB HIS A 44 -5.892 4.697 -0.830 1.00 0.00 C ATOM 586 CG HIS A 44 -5.489 6.110 -0.538 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.144 7.013 -1.521 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.378 6.774 0.636 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.837 8.171 -0.965 1.00 0.00 C ATOM 590 NE2 HIS A 44 -4.971 8.053 0.344 1.00 0.00 N ATOM 0 H HIS A 44 -7.478 2.960 -1.902 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.283 4.235 0.742 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.177 4.020 -0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.837 4.527 -1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.573 6.373 1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.529 9.063 -1.491 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.800 8.791 1.027 1.00 0.00 H new ATOM 599 N PHE A 45 -8.713 6.206 0.324 1.00 0.00 N ATOM 600 CA PHE A 45 -9.641 7.312 0.123 1.00 0.00 C ATOM 601 C PHE A 45 -8.889 8.626 -0.069 1.00 0.00 C ATOM 602 O PHE A 45 -8.288 9.151 0.868 1.00 0.00 O ATOM 603 CB PHE A 45 -10.597 7.427 1.312 1.00 0.00 C ATOM 604 CG PHE A 45 -11.800 6.534 1.203 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.745 5.219 1.634 1.00 0.00 C ATOM 606 CD2 PHE A 45 -12.986 7.011 0.668 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.850 4.395 1.535 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.095 6.192 0.567 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.027 4.882 1.000 1.00 0.00 C ATOM 0 H PHE A 45 -8.448 6.049 1.296 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.218 7.109 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.057 7.185 2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.929 8.461 1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.827 4.833 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.045 8.034 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.794 3.372 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.014 6.576 0.150 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.892 4.240 0.920 1.00 0.00 H new ATOM 619 N TRP A 46 -8.928 9.150 -1.288 1.00 0.00 N ATOM 620 CA TRP A 46 -8.249 10.402 -1.603 1.00 0.00 C ATOM 621 C TRP A 46 -9.257 11.512 -1.885 1.00 0.00 C ATOM 622 O TRP A 46 -10.302 11.274 -2.490 1.00 0.00 O ATOM 623 CB TRP A 46 -7.327 10.217 -2.809 1.00 0.00 C ATOM 624 CG TRP A 46 -8.042 10.301 -4.123 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.567 9.262 -4.839 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.310 11.487 -4.879 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.144 9.731 -5.994 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.001 11.093 -6.042 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.035 12.843 -4.686 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.419 12.007 -7.005 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.450 13.750 -5.644 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.136 13.329 -6.791 1.00 0.00 C ATOM 0 H TRP A 46 -9.422 8.728 -2.074 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.651 10.689 -0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.546 10.977 -2.780 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.833 9.248 -2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.533 8.225 -4.541 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.604 9.158 -6.701 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.508 13.177 -3.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.948 11.685 -7.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.242 14.801 -5.506 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.448 14.062 -7.520 1.00 0.00 H new ATOM 643 N ALA A 47 -8.936 12.723 -1.442 1.00 0.00 N ATOM 644 CA ALA A 47 -9.813 13.869 -1.649 1.00 0.00 C ATOM 645 C ALA A 47 -9.080 15.000 -2.360 1.00 0.00 C ATOM 646 O ALA A 47 -7.892 15.238 -2.140 1.00 0.00 O ATOM 647 CB ALA A 47 -10.371 14.353 -0.319 1.00 0.00 C ATOM 0 H ALA A 47 -8.075 12.936 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.640 13.552 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.024 15.209 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.939 13.550 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.550 14.647 0.335 1.00 0.00 H new ATOM 653 N PRO A 48 -9.801 15.716 -3.236 1.00 0.00 N ATOM 654 CA PRO A 48 -9.238 16.835 -3.998 1.00 0.00 C ATOM 655 C PRO A 48 -8.931 18.040 -3.116 1.00 0.00 C ATOM 656 O PRO A 48 -8.332 19.016 -3.569 1.00 0.00 O ATOM 657 CB PRO A 48 -10.345 17.173 -5.000 1.00 0.00 C ATOM 658 CG PRO A 48 -11.600 16.703 -4.351 1.00 0.00 C ATOM 659 CD PRO A 48 -11.222 15.489 -3.549 1.00 0.00 C ATOM 0 HA PRO A 48 -8.287 16.575 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.381 18.243 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.181 16.672 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.022 17.478 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.357 16.458 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.824 15.402 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.366 14.571 -4.118 1.00 0.00 H new ATOM 667 N TRP A 49 -9.344 17.966 -1.856 1.00 0.00 N ATOM 668 CA TRP A 49 -9.111 19.052 -0.911 1.00 0.00 C ATOM 669 C TRP A 49 -8.095 18.643 0.150 1.00 0.00 C ATOM 670 O TRP A 49 -7.034 19.253 0.274 1.00 0.00 O ATOM 671 CB TRP A 49 -10.425 19.465 -0.244 1.00 0.00 C ATOM 672 CG TRP A 49 -11.261 18.301 0.193 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.065 17.528 -0.595 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.376 17.780 1.521 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.674 16.557 0.163 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.267 16.690 1.465 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.813 18.126 2.752 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.606 15.947 2.592 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.150 17.387 3.870 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.040 16.308 3.785 1.00 0.00 C ATOM 0 H TRP A 49 -9.842 17.166 -1.465 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.709 19.901 -1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.204 20.090 0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.001 20.076 -0.939 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.202 17.660 -1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.323 15.852 -0.186 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.127 18.956 2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.291 15.115 2.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.720 17.646 4.826 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.284 15.751 4.677 1.00 0.00 H new ATOM 691 N ALA A 50 -8.427 17.606 0.912 1.00 0.00 N ATOM 692 CA ALA A 50 -7.542 17.114 1.960 1.00 0.00 C ATOM 693 C ALA A 50 -6.102 17.027 1.467 1.00 0.00 C ATOM 694 O ALA A 50 -5.745 16.161 0.667 1.00 0.00 O ATOM 695 CB ALA A 50 -8.015 15.755 2.456 1.00 0.00 C ATOM 0 H ALA A 50 -9.303 17.090 0.823 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.573 17.822 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.345 15.400 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.025 15.845 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.015 15.045 1.629 1.00 0.00 H new ATOM 701 N PRO A 51 -5.253 17.945 1.952 1.00 0.00 N ATOM 702 CA PRO A 51 -3.837 17.993 1.574 1.00 0.00 C ATOM 703 C PRO A 51 -3.046 16.819 2.140 1.00 0.00 C ATOM 704 O PRO A 51 -1.834 16.725 1.946 1.00 0.00 O ATOM 705 CB PRO A 51 -3.351 19.310 2.184 1.00 0.00 C ATOM 706 CG PRO A 51 -4.275 19.562 3.325 1.00 0.00 C ATOM 707 CD PRO A 51 -5.609 19.007 2.909 1.00 0.00 C ATOM 0 HA PRO A 51 -3.701 17.932 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.317 19.233 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.389 20.121 1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.916 19.076 4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.346 20.628 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.163 18.612 3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.236 19.770 2.448 1.00 0.00 H new ATOM 715 N GLN A 52 -3.739 15.926 2.839 1.00 0.00 N ATOM 716 CA GLN A 52 -3.099 14.758 3.433 1.00 0.00 C ATOM 717 C GLN A 52 -2.945 13.641 2.407 1.00 0.00 C ATOM 718 O GLN A 52 -1.865 13.068 2.256 1.00 0.00 O ATOM 719 CB GLN A 52 -3.911 14.259 4.630 1.00 0.00 C ATOM 720 CG GLN A 52 -3.926 15.227 5.801 1.00 0.00 C ATOM 721 CD GLN A 52 -2.533 15.616 6.255 1.00 0.00 C ATOM 722 OE1 GLN A 52 -1.558 14.921 5.968 1.00 0.00 O ATOM 723 NE2 GLN A 52 -2.432 16.732 6.967 1.00 0.00 N ATOM 0 H GLN A 52 -4.743 15.989 3.008 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.106 15.053 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.936 14.072 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.502 13.305 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.476 16.125 5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.462 14.774 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.267 17.277 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.520 17.044 7.299 1.00 0.00 H new ATOM 732 N CYS A 53 -4.030 13.336 1.704 1.00 0.00 N ATOM 733 CA CYS A 53 -4.015 12.286 0.691 1.00 0.00 C ATOM 734 C CYS A 53 -2.813 12.440 -0.234 1.00 0.00 C ATOM 735 O CYS A 53 -2.410 11.492 -0.907 1.00 0.00 O ATOM 736 CB CYS A 53 -5.309 12.317 -0.124 1.00 0.00 C ATOM 737 SG CYS A 53 -5.601 13.879 -0.986 1.00 0.00 S ATOM 0 H CYS A 53 -4.931 13.801 1.817 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.938 11.325 1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.284 11.510 -0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.150 12.119 0.541 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.669 14.846 -0.120 1.00 0.00 H new ATOM 743 N ALA A 54 -2.245 13.641 -0.263 1.00 0.00 N ATOM 744 CA ALA A 54 -1.088 13.919 -1.106 1.00 0.00 C ATOM 745 C ALA A 54 0.027 12.910 -0.857 1.00 0.00 C ATOM 746 O ALA A 54 0.319 12.072 -1.710 1.00 0.00 O ATOM 747 CB ALA A 54 -0.586 15.335 -0.862 1.00 0.00 C ATOM 0 H ALA A 54 -2.567 14.437 0.287 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.397 13.829 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.278 15.529 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.377 16.047 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.299 15.444 0.184 1.00 0.00 H new ATOM 753 N GLN A 55 0.648 12.997 0.315 1.00 0.00 N ATOM 754 CA GLN A 55 1.733 12.092 0.674 1.00 0.00 C ATOM 755 C GLN A 55 1.265 10.640 0.639 1.00 0.00 C ATOM 756 O GLN A 55 1.972 9.762 0.147 1.00 0.00 O ATOM 757 CB GLN A 55 2.271 12.433 2.065 1.00 0.00 C ATOM 758 CG GLN A 55 1.193 12.492 3.136 1.00 0.00 C ATOM 759 CD GLN A 55 1.566 13.405 4.288 1.00 0.00 C ATOM 760 OE1 GLN A 55 1.571 12.989 5.448 1.00 0.00 O ATOM 761 NE2 GLN A 55 1.881 14.656 3.975 1.00 0.00 N ATOM 0 H GLN A 55 0.418 13.685 1.032 1.00 0.00 H new ATOM 0 HA GLN A 55 2.532 12.215 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.015 11.689 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.782 13.395 2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.261 12.838 2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.010 11.488 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.864 14.958 3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.140 15.315 4.709 1.00 0.00 H new ATOM 770 N MET A 56 0.069 10.397 1.165 1.00 0.00 N ATOM 771 CA MET A 56 -0.494 9.051 1.192 1.00 0.00 C ATOM 772 C MET A 56 -0.529 8.448 -0.209 1.00 0.00 C ATOM 773 O MET A 56 -0.442 7.232 -0.373 1.00 0.00 O ATOM 774 CB MET A 56 -1.904 9.077 1.784 1.00 0.00 C ATOM 775 CG MET A 56 -1.958 9.621 3.203 1.00 0.00 C ATOM 776 SD MET A 56 -1.458 8.401 4.433 1.00 0.00 S ATOM 777 CE MET A 56 0.322 8.593 4.397 1.00 0.00 C ATOM 0 H MET A 56 -0.529 11.113 1.578 1.00 0.00 H new ATOM 0 HA MET A 56 0.144 8.430 1.820 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.546 9.685 1.146 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.311 8.066 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.310 10.494 3.278 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.972 9.957 3.421 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.785 7.643 4.129 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.592 9.349 3.659 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.674 8.904 5.380 1.00 0.00 H new ATOM 787 N ASN A 57 -0.656 9.307 -1.215 1.00 0.00 N ATOM 788 CA ASN A 57 -0.704 8.858 -2.602 1.00 0.00 C ATOM 789 C ASN A 57 0.668 8.375 -3.064 1.00 0.00 C ATOM 790 O ASN A 57 0.847 7.201 -3.386 1.00 0.00 O ATOM 791 CB ASN A 57 -1.192 9.989 -3.509 1.00 0.00 C ATOM 792 CG ASN A 57 -1.514 9.507 -4.911 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.647 8.307 -5.151 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.640 10.444 -5.844 1.00 0.00 N ATOM 0 H ASN A 57 -0.728 10.318 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.403 8.024 -2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.080 10.445 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.428 10.765 -3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.856 10.181 -6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.521 11.427 -5.599 1.00 0.00 H new ATOM 801 N GLU A 58 1.632 9.290 -3.094 1.00 0.00 N ATOM 802 CA GLU A 58 2.987 8.957 -3.517 1.00 0.00 C ATOM 803 C GLU A 58 3.497 7.719 -2.786 1.00 0.00 C ATOM 804 O GLU A 58 4.167 6.869 -3.372 1.00 0.00 O ATOM 805 CB GLU A 58 3.928 10.136 -3.264 1.00 0.00 C ATOM 806 CG GLU A 58 4.013 10.544 -1.803 1.00 0.00 C ATOM 807 CD GLU A 58 5.088 11.583 -1.548 1.00 0.00 C ATOM 808 OE1 GLU A 58 5.094 12.616 -2.250 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.924 11.362 -0.647 1.00 0.00 O ATOM 0 H GLU A 58 1.500 10.267 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 58 2.964 8.742 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.925 9.876 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.593 10.990 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.049 10.939 -1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.214 9.662 -1.195 1.00 0.00 H new ATOM 816 N VAL A 59 3.174 7.623 -1.500 1.00 0.00 N ATOM 817 CA VAL A 59 3.598 6.490 -0.687 1.00 0.00 C ATOM 818 C VAL A 59 3.066 5.178 -1.253 1.00 0.00 C ATOM 819 O VAL A 59 3.768 4.167 -1.268 1.00 0.00 O ATOM 820 CB VAL A 59 3.124 6.636 0.771 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.511 5.410 1.584 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.697 7.900 1.393 1.00 0.00 C ATOM 0 H VAL A 59 2.620 8.317 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 59 4.688 6.477 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 59 2.037 6.717 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.168 5.532 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.048 4.524 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.595 5.295 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.352 7.987 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.786 7.852 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.365 8.768 0.824 1.00 0.00 H new ATOM 832 N MET A 60 1.822 5.202 -1.719 1.00 0.00 N ATOM 833 CA MET A 60 1.196 4.015 -2.289 1.00 0.00 C ATOM 834 C MET A 60 1.995 3.498 -3.481 1.00 0.00 C ATOM 835 O MET A 60 2.504 2.378 -3.461 1.00 0.00 O ATOM 836 CB MET A 60 -0.239 4.324 -2.718 1.00 0.00 C ATOM 837 CG MET A 60 -1.211 4.433 -1.555 1.00 0.00 C ATOM 838 SD MET A 60 -2.760 5.233 -2.016 1.00 0.00 S ATOM 839 CE MET A 60 -3.458 4.007 -3.120 1.00 0.00 C ATOM 0 H MET A 60 1.227 6.031 -1.713 1.00 0.00 H new ATOM 0 HA MET A 60 1.179 3.241 -1.522 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.249 5.259 -3.278 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.583 3.543 -3.396 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.423 3.436 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.743 4.995 -0.747 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.328 4.426 -3.626 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.712 3.717 -3.860 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.760 3.131 -2.546 1.00 0.00 H new ATOM 849 N ALA A 61 2.101 4.322 -4.519 1.00 0.00 N ATOM 850 CA ALA A 61 2.840 3.948 -5.718 1.00 0.00 C ATOM 851 C ALA A 61 4.090 3.149 -5.367 1.00 0.00 C ATOM 852 O ALA A 61 4.323 2.072 -5.915 1.00 0.00 O ATOM 853 CB ALA A 61 3.212 5.189 -6.517 1.00 0.00 C ATOM 0 H ALA A 61 1.684 5.252 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 61 2.196 3.315 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.764 4.895 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.305 5.719 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.834 5.843 -5.905 1.00 0.00 H new ATOM 859 N GLU A 62 4.890 3.683 -4.450 1.00 0.00 N ATOM 860 CA GLU A 62 6.118 3.019 -4.027 1.00 0.00 C ATOM 861 C GLU A 62 5.827 1.609 -3.521 1.00 0.00 C ATOM 862 O GLU A 62 6.582 0.673 -3.786 1.00 0.00 O ATOM 863 CB GLU A 62 6.813 3.832 -2.933 1.00 0.00 C ATOM 864 CG GLU A 62 7.590 5.026 -3.463 1.00 0.00 C ATOM 865 CD GLU A 62 8.647 4.631 -4.476 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.565 3.869 -4.108 1.00 0.00 O ATOM 867 OE2 GLU A 62 8.556 5.085 -5.635 1.00 0.00 O ATOM 0 H GLU A 62 4.710 4.573 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 62 6.778 2.947 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.065 4.183 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.494 3.181 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.897 5.731 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.066 5.544 -2.630 1.00 0.00 H new ATOM 874 N LEU A 63 4.726 1.464 -2.791 1.00 0.00 N ATOM 875 CA LEU A 63 4.334 0.169 -2.246 1.00 0.00 C ATOM 876 C LEU A 63 3.885 -0.775 -3.357 1.00 0.00 C ATOM 877 O LEU A 63 4.239 -1.954 -3.364 1.00 0.00 O ATOM 878 CB LEU A 63 3.210 0.343 -1.223 1.00 0.00 C ATOM 879 CG LEU A 63 3.572 1.114 0.047 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.317 1.482 0.824 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.519 0.298 0.915 1.00 0.00 C ATOM 0 H LEU A 63 4.089 2.227 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 63 5.202 -0.268 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.379 0.853 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.852 -0.645 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 63 4.079 2.035 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.594 2.030 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.674 2.106 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.782 0.574 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.766 0.862 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.039 -0.640 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.432 0.086 0.358 1.00 0.00 H new ATOM 893 N ALA A 64 3.105 -0.248 -4.295 1.00 0.00 N ATOM 894 CA ALA A 64 2.611 -1.042 -5.412 1.00 0.00 C ATOM 895 C ALA A 64 3.696 -1.969 -5.949 1.00 0.00 C ATOM 896 O ALA A 64 3.551 -3.192 -5.925 1.00 0.00 O ATOM 897 CB ALA A 64 2.095 -0.134 -6.519 1.00 0.00 C ATOM 0 H ALA A 64 2.802 0.726 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 64 1.788 -1.659 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.729 -0.741 -7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.283 0.483 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.903 0.508 -6.869 1.00 0.00 H new ATOM 903 N LYS A 65 4.784 -1.381 -6.434 1.00 0.00 N ATOM 904 CA LYS A 65 5.895 -2.153 -6.977 1.00 0.00 C ATOM 905 C LYS A 65 6.567 -2.980 -5.886 1.00 0.00 C ATOM 906 O LYS A 65 6.872 -4.155 -6.085 1.00 0.00 O ATOM 907 CB LYS A 65 6.919 -1.222 -7.630 1.00 0.00 C ATOM 908 CG LYS A 65 7.431 -0.134 -6.701 1.00 0.00 C ATOM 909 CD LYS A 65 8.134 0.971 -7.472 1.00 0.00 C ATOM 910 CE LYS A 65 7.137 1.879 -8.176 1.00 0.00 C ATOM 911 NZ LYS A 65 7.713 2.482 -9.410 1.00 0.00 N ATOM 0 H LYS A 65 4.920 -0.371 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 65 5.498 -2.833 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.763 -1.814 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.468 -0.757 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.598 0.287 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.119 -0.568 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.746 1.560 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.809 0.531 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.244 1.309 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.824 2.671 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.003 3.094 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.550 3.047 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.988 1.727 -10.070 1.00 0.00 H new ATOM 925 N GLU A 66 6.793 -2.358 -4.733 1.00 0.00 N ATOM 926 CA GLU A 66 7.428 -3.039 -3.610 1.00 0.00 C ATOM 927 C GLU A 66 6.725 -4.359 -3.306 1.00 0.00 C ATOM 928 O GLU A 66 7.364 -5.344 -2.935 1.00 0.00 O ATOM 929 CB GLU A 66 7.416 -2.144 -2.369 1.00 0.00 C ATOM 930 CG GLU A 66 7.875 -2.850 -1.105 1.00 0.00 C ATOM 931 CD GLU A 66 7.312 -2.218 0.153 1.00 0.00 C ATOM 932 OE1 GLU A 66 7.587 -1.024 0.392 1.00 0.00 O ATOM 933 OE2 GLU A 66 6.596 -2.919 0.899 1.00 0.00 O ATOM 0 H GLU A 66 6.546 -1.385 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 66 8.461 -3.253 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.059 -1.282 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.406 -1.763 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.573 -3.897 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.964 -2.834 -1.059 1.00 0.00 H new ATOM 940 N LEU A 67 5.406 -4.370 -3.465 1.00 0.00 N ATOM 941 CA LEU A 67 4.615 -5.568 -3.207 1.00 0.00 C ATOM 942 C LEU A 67 3.769 -5.934 -4.422 1.00 0.00 C ATOM 943 O LEU A 67 2.649 -5.455 -4.597 1.00 0.00 O ATOM 944 CB LEU A 67 3.713 -5.355 -1.990 1.00 0.00 C ATOM 945 CG LEU A 67 4.416 -4.932 -0.699 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.427 -4.290 0.262 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.098 -6.126 -0.047 1.00 0.00 C ATOM 0 H LEU A 67 4.862 -3.563 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 67 5.302 -6.390 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.971 -4.597 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.171 -6.281 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 67 5.179 -4.195 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.945 -3.996 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.985 -3.409 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.641 -5.004 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.593 -5.806 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.353 -6.886 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.837 -6.542 -0.732 1.00 0.00 H new ATOM 959 N PRO A 68 4.316 -6.806 -5.283 1.00 0.00 N ATOM 960 CA PRO A 68 3.628 -7.258 -6.496 1.00 0.00 C ATOM 961 C PRO A 68 2.439 -8.161 -6.185 1.00 0.00 C ATOM 962 O PRO A 68 1.589 -8.398 -7.043 1.00 0.00 O ATOM 963 CB PRO A 68 4.710 -8.039 -7.247 1.00 0.00 C ATOM 964 CG PRO A 68 5.653 -8.494 -6.188 1.00 0.00 C ATOM 965 CD PRO A 68 5.648 -7.417 -5.138 1.00 0.00 C ATOM 0 HA PRO A 68 3.212 -6.425 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.285 -8.884 -7.788 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.213 -7.411 -7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.337 -9.449 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.654 -8.639 -6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.795 -7.829 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.444 -6.691 -5.304 1.00 0.00 H new ATOM 973 N GLN A 69 2.386 -8.660 -4.955 1.00 0.00 N ATOM 974 CA GLN A 69 1.301 -9.537 -4.532 1.00 0.00 C ATOM 975 C GLN A 69 0.204 -8.745 -3.827 1.00 0.00 C ATOM 976 O GLN A 69 -0.599 -9.306 -3.082 1.00 0.00 O ATOM 977 CB GLN A 69 1.832 -10.632 -3.605 1.00 0.00 C ATOM 978 CG GLN A 69 2.288 -10.113 -2.251 1.00 0.00 C ATOM 979 CD GLN A 69 3.725 -9.631 -2.265 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.012 -8.510 -2.686 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.639 -10.477 -1.802 1.00 0.00 N ATOM 0 H GLN A 69 3.082 -8.472 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 69 0.875 -10.000 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.053 -11.379 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.667 -11.136 -4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.637 -9.295 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.181 -10.904 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.357 -11.397 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.622 -10.207 -1.786 1.00 0.00 H new ATOM 990 N VAL A 70 0.178 -7.438 -4.067 1.00 0.00 N ATOM 991 CA VAL A 70 -0.820 -6.568 -3.456 1.00 0.00 C ATOM 992 C VAL A 70 -1.563 -5.757 -4.512 1.00 0.00 C ATOM 993 O VAL A 70 -1.054 -5.534 -5.610 1.00 0.00 O ATOM 994 CB VAL A 70 -0.179 -5.604 -2.441 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.222 -4.653 -1.875 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.507 -6.382 -1.328 1.00 0.00 C ATOM 0 H VAL A 70 0.837 -6.958 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.526 -7.214 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 70 0.576 -5.010 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.750 -3.979 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.662 -4.071 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.003 -5.225 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.955 -5.685 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.226 -7.003 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.285 -7.016 -1.753 1.00 0.00 H new ATOM 1006 N SER A 71 -2.771 -5.318 -4.171 1.00 0.00 N ATOM 1007 CA SER A 71 -3.586 -4.534 -5.091 1.00 0.00 C ATOM 1008 C SER A 71 -3.953 -3.186 -4.478 1.00 0.00 C ATOM 1009 O SER A 71 -4.725 -3.115 -3.521 1.00 0.00 O ATOM 1010 CB SER A 71 -4.857 -5.301 -5.461 1.00 0.00 C ATOM 1011 OG SER A 71 -4.544 -6.547 -6.060 1.00 0.00 O ATOM 0 H SER A 71 -3.206 -5.492 -3.265 1.00 0.00 H new ATOM 0 HA SER A 71 -3.001 -4.356 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.460 -5.464 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.459 -4.705 -6.147 1.00 0.00 H new ATOM 0 HG SER A 71 -5.200 -7.219 -5.780 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.394 -2.117 -5.036 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.660 -0.770 -4.544 1.00 0.00 C ATOM 1019 C PHE A 72 -4.679 -0.060 -5.430 1.00 0.00 C ATOM 1020 O PHE A 72 -4.475 0.090 -6.635 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.364 0.041 -4.488 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.375 -0.478 -3.483 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -1.394 -0.023 -2.174 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -0.427 -1.420 -3.847 1.00 0.00 C ATOM 1025 CE1 PHE A 72 -0.486 -0.498 -1.247 1.00 0.00 C ATOM 1026 CE2 PHE A 72 0.483 -1.900 -2.924 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.454 -1.437 -1.623 1.00 0.00 C ATOM 0 H PHE A 72 -2.754 -2.157 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.072 -0.852 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.901 0.040 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.603 1.077 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.127 0.711 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.399 -1.784 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.511 -0.135 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.216 -2.636 -3.220 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.166 -1.809 -0.901 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.780 0.375 -4.824 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.832 1.071 -5.556 1.00 0.00 C ATOM 1039 C VAL A 73 -7.309 2.302 -4.794 1.00 0.00 C ATOM 1040 O VAL A 73 -7.708 2.212 -3.633 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.035 0.147 -5.822 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.620 -1.035 -6.685 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.642 -0.328 -4.510 1.00 0.00 C ATOM 0 H VAL A 73 -5.966 0.258 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.404 1.381 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.793 0.713 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.483 -1.677 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.235 -0.672 -7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.844 -1.604 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.491 -0.980 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.893 -0.878 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.978 0.533 -3.932 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.266 3.453 -5.456 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.696 4.705 -4.844 1.00 0.00 C ATOM 1055 C LYS A 74 -9.096 5.088 -5.313 1.00 0.00 C ATOM 1056 O LYS A 74 -9.402 5.023 -6.505 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.710 5.826 -5.180 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.635 6.146 -6.663 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.375 6.925 -7.002 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.523 8.400 -6.661 1.00 0.00 C ATOM 1061 NZ LYS A 74 -5.363 8.651 -5.202 1.00 0.00 N ATOM 0 H LYS A 74 -6.937 3.545 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.720 4.562 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.997 6.726 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.718 5.544 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.657 5.220 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.511 6.724 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.530 6.507 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.153 6.816 -8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.780 8.976 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.503 8.751 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.287 8.886 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.983 7.799 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.707 9.444 -5.056 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.942 5.488 -4.371 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.310 5.883 -4.688 1.00 0.00 C ATOM 1077 C LEU A 75 -11.595 7.299 -4.198 1.00 0.00 C ATOM 1078 O LEU A 75 -11.284 7.646 -3.059 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.303 4.904 -4.061 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.782 5.274 -4.187 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.655 4.035 -4.060 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.164 6.308 -3.138 1.00 0.00 C ATOM 0 H LEU A 75 -9.705 5.548 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.426 5.863 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.154 3.925 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.063 4.803 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.945 5.709 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.704 4.318 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.399 3.327 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.489 3.571 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.219 6.559 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.985 5.900 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.562 7.206 -3.276 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.192 8.111 -5.065 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.520 9.489 -4.719 1.00 0.00 C ATOM 1096 C GLU A 76 -13.802 9.552 -3.893 1.00 0.00 C ATOM 1097 O GLU A 76 -14.898 9.340 -4.411 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.675 10.334 -5.985 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.556 11.828 -5.738 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.732 12.645 -7.004 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.139 12.271 -8.038 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.462 13.657 -6.961 1.00 0.00 O ATOM 0 H GLU A 76 -12.458 7.839 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.702 9.890 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.917 10.032 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.646 10.125 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.305 12.132 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.580 12.044 -5.303 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.655 9.844 -2.605 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.800 9.936 -1.707 1.00 0.00 C ATOM 1111 C ALA A 77 -15.939 10.721 -2.349 1.00 0.00 C ATOM 1112 O ALA A 77 -17.104 10.338 -2.246 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.389 10.579 -0.391 1.00 0.00 C ATOM 0 H ALA A 77 -12.754 10.021 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.157 8.925 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.254 10.641 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.614 9.976 0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.004 11.581 -0.580 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.594 11.821 -3.011 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.589 12.661 -3.667 1.00 0.00 C ATOM 1121 C GLU A 78 -17.004 12.064 -5.009 1.00 0.00 C ATOM 1122 O GLU A 78 -18.059 12.395 -5.549 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.041 14.075 -3.873 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.926 14.875 -2.587 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.244 15.497 -2.166 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.161 14.740 -1.786 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.357 16.739 -2.217 1.00 0.00 O ATOM 0 H GLU A 78 -14.634 12.151 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.467 12.710 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.058 14.010 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.689 14.610 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.565 14.225 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.183 15.662 -2.718 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.164 11.182 -5.543 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.460 10.554 -6.818 1.00 0.00 C ATOM 1136 C GLY A 79 -17.487 9.446 -6.693 1.00 0.00 C ATOM 1137 O GLY A 79 -18.514 9.463 -7.371 1.00 0.00 O ATOM 0 H GLY A 79 -15.285 10.891 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.826 11.308 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.541 10.148 -7.242 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.209 8.478 -5.826 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.116 7.356 -5.616 1.00 0.00 C ATOM 1143 C VAL A 80 -18.700 7.378 -4.207 1.00 0.00 C ATOM 1144 O VAL A 80 -18.229 6.688 -3.303 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.405 6.009 -5.844 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.364 4.852 -5.607 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.819 5.947 -7.246 1.00 0.00 C ATOM 0 H VAL A 80 -16.363 8.448 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.922 7.460 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.587 5.924 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.844 3.909 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.732 4.888 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.205 4.929 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.320 4.988 -7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.618 6.054 -7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.098 6.754 -7.375 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.751 8.189 -4.015 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.423 8.320 -2.719 1.00 0.00 C ATOM 1159 C PRO A 81 -21.198 7.063 -2.339 1.00 0.00 C ATOM 1160 O PRO A 81 -21.414 6.790 -1.158 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.381 9.495 -2.933 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.637 9.512 -4.401 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.364 9.040 -5.049 1.00 0.00 C ATOM 0 HA PRO A 81 -19.714 8.474 -1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.305 9.360 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.939 10.433 -2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.471 8.860 -4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.899 10.514 -4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.562 8.482 -5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.717 9.875 -5.319 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.614 6.302 -3.346 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.366 5.074 -3.115 1.00 0.00 C ATOM 1173 C GLU A 82 -21.646 4.175 -2.113 1.00 0.00 C ATOM 1174 O GLU A 82 -22.221 3.763 -1.107 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.575 4.323 -4.431 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.363 3.033 -4.277 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.111 2.651 -5.540 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -23.462 2.170 -6.492 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.346 2.833 -5.575 1.00 0.00 O ATOM 0 H GLU A 82 -21.443 6.514 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.337 5.346 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.095 4.975 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.603 4.095 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.682 2.226 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -24.073 3.141 -3.457 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.382 3.875 -2.398 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.582 3.027 -1.523 1.00 0.00 C ATOM 1188 C VAL A 83 -19.287 3.724 -0.200 1.00 0.00 C ATOM 1189 O VAL A 83 -19.424 3.132 0.870 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.252 2.629 -2.189 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.387 1.834 -1.223 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.509 1.839 -3.463 1.00 0.00 C ATOM 0 H VAL A 83 -19.891 4.207 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.168 2.128 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.714 3.538 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.452 1.562 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.173 2.440 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.915 0.930 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.558 1.566 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.069 0.935 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.085 2.449 -4.159 1.00 0.00 H new ATOM 1202 N SER A 84 -18.882 4.988 -0.281 1.00 0.00 N ATOM 1203 CA SER A 84 -18.564 5.766 0.910 1.00 0.00 C ATOM 1204 C SER A 84 -19.627 5.570 1.987 1.00 0.00 C ATOM 1205 O SER A 84 -19.309 5.407 3.165 1.00 0.00 O ATOM 1206 CB SER A 84 -18.446 7.251 0.558 1.00 0.00 C ATOM 1207 OG SER A 84 -17.741 7.432 -0.658 1.00 0.00 O ATOM 0 H SER A 84 -18.767 5.494 -1.159 1.00 0.00 H new ATOM 0 HA SER A 84 -17.608 5.415 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.441 7.688 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.933 7.779 1.362 1.00 0.00 H new ATOM 0 HG SER A 84 -17.712 8.386 -0.880 1.00 0.00 H new ATOM 1213 N GLU A 85 -20.890 5.587 1.573 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.000 5.412 2.503 1.00 0.00 C ATOM 1215 C GLU A 85 -21.907 4.065 3.213 1.00 0.00 C ATOM 1216 O GLU A 85 -21.816 4.001 4.439 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.335 5.520 1.763 1.00 0.00 C ATOM 1218 CG GLU A 85 -23.707 6.944 1.384 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.200 7.125 1.191 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.752 6.537 0.238 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.816 7.857 1.994 1.00 0.00 O ATOM 0 H GLU A 85 -21.170 5.720 0.601 1.00 0.00 H new ATOM 0 HA GLU A 85 -21.942 6.202 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.290 4.912 0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.123 5.102 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -23.360 7.625 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.190 7.218 0.465 1.00 0.00 H new ATOM 1228 N LYS A 86 -21.931 2.989 2.433 1.00 0.00 N ATOM 1229 CA LYS A 86 -21.850 1.642 2.985 1.00 0.00 C ATOM 1230 C LYS A 86 -20.863 1.588 4.147 1.00 0.00 C ATOM 1231 O LYS A 86 -21.236 1.275 5.278 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.430 0.648 1.900 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.399 -0.795 2.374 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.039 -1.168 2.938 1.00 0.00 C ATOM 1235 CE LYS A 86 -20.110 -2.438 3.772 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.748 -2.197 5.095 1.00 0.00 N ATOM 0 H LYS A 86 -22.006 3.024 1.416 1.00 0.00 H new ATOM 0 HA LYS A 86 -22.838 1.369 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.118 0.730 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.441 0.922 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.163 -0.945 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -21.643 -1.457 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.331 -1.307 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.661 -0.350 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.673 -3.197 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.105 -2.832 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.598 -3.023 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.324 -1.356 5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.768 -2.043 4.965 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.603 1.897 3.861 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.562 1.884 4.882 1.00 0.00 C ATOM 1252 C TYR A 87 -18.611 3.153 5.727 1.00 0.00 C ATOM 1253 O TYR A 87 -17.976 3.237 6.778 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.184 1.742 4.234 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.013 0.461 3.449 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -16.593 -0.708 4.072 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.270 0.419 2.084 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.434 -1.881 3.359 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.116 -0.749 1.364 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.698 -1.896 2.005 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.542 -3.062 1.291 1.00 0.00 O ATOM 0 H TYR A 87 -19.278 2.160 2.931 1.00 0.00 H new ATOM 0 HA TYR A 87 -18.739 1.029 5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.015 2.590 3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.420 1.787 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.387 -0.700 5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -17.596 1.316 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.105 -2.780 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.322 -0.764 0.304 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.615 -3.371 1.368 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.370 4.139 5.259 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.502 5.405 5.971 1.00 0.00 C ATOM 1273 C GLU A 88 -18.163 6.132 6.040 1.00 0.00 C ATOM 1274 O GLU A 88 -17.806 6.700 7.072 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.039 5.167 7.384 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.419 4.532 7.411 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.081 4.634 8.772 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -21.793 3.780 9.637 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.887 5.566 8.972 1.00 0.00 O ATOM 0 H GLU A 88 -19.902 4.086 4.391 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.207 6.029 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.343 4.526 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.075 6.118 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.052 5.015 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.338 3.482 7.128 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.427 6.110 4.934 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.127 6.768 4.868 1.00 0.00 C ATOM 1288 C ILE A 89 -16.280 8.261 4.599 1.00 0.00 C ATOM 1289 O ILE A 89 -16.215 8.705 3.453 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.238 6.149 3.774 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.032 4.655 4.038 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -13.899 6.869 3.709 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.245 4.366 5.297 1.00 0.00 C ATOM 0 H ILE A 89 -17.708 5.644 4.071 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.650 6.623 5.837 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.738 6.264 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.005 4.169 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.515 4.212 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.282 6.420 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.063 7.922 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.392 6.782 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.138 3.288 5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.258 4.822 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.771 4.779 6.158 1.00 0.00 H new ATOM 1305 N SER A 90 -16.482 9.031 5.663 1.00 0.00 N ATOM 1306 CA SER A 90 -16.646 10.475 5.542 1.00 0.00 C ATOM 1307 C SER A 90 -15.431 11.208 6.101 1.00 0.00 C ATOM 1308 O SER A 90 -15.563 12.245 6.752 1.00 0.00 O ATOM 1309 CB SER A 90 -17.911 10.929 6.273 1.00 0.00 C ATOM 1310 OG SER A 90 -19.061 10.738 5.468 1.00 0.00 O ATOM 0 H SER A 90 -16.536 8.679 6.619 1.00 0.00 H new ATOM 0 HA SER A 90 -16.740 10.718 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.017 10.371 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.822 11.982 6.541 1.00 0.00 H new ATOM 0 HG SER A 90 -19.856 11.034 5.958 1.00 0.00 H new ATOM 1316 N SER A 91 -14.247 10.662 5.842 1.00 0.00 N ATOM 1317 CA SER A 91 -13.007 11.261 6.323 1.00 0.00 C ATOM 1318 C SER A 91 -11.812 10.751 5.523 1.00 0.00 C ATOM 1319 O SER A 91 -11.826 9.633 5.009 1.00 0.00 O ATOM 1320 CB SER A 91 -12.810 10.955 7.808 1.00 0.00 C ATOM 1321 OG SER A 91 -12.124 12.010 8.460 1.00 0.00 O ATOM 0 H SER A 91 -14.120 9.806 5.302 1.00 0.00 H new ATOM 0 HA SER A 91 -13.078 12.340 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.779 10.800 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.248 10.028 7.920 1.00 0.00 H new ATOM 0 HG SER A 91 -12.012 11.791 9.409 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.778 11.580 5.423 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.573 11.214 4.688 1.00 0.00 C ATOM 1329 C VAL A 92 -8.330 11.809 5.339 1.00 0.00 C ATOM 1330 O VAL A 92 -8.377 12.858 5.982 1.00 0.00 O ATOM 1331 CB VAL A 92 -9.646 11.683 3.222 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -10.755 10.951 2.482 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -9.852 13.189 3.155 1.00 0.00 C ATOM 0 H VAL A 92 -10.751 12.510 5.842 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.506 10.126 4.711 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.700 11.447 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.792 11.295 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.559 9.879 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.711 11.154 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.901 13.503 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.783 13.452 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.020 13.692 3.647 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.188 11.125 5.170 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.120 9.875 4.407 1.00 0.00 C ATOM 1345 C PRO A 93 -7.820 8.723 5.119 1.00 0.00 C ATOM 1346 O PRO A 93 -8.122 8.806 6.310 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.617 9.605 4.302 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.024 10.303 5.477 1.00 0.00 C ATOM 1349 CD PRO A 93 -5.876 11.519 5.710 1.00 0.00 C ATOM 0 HA PRO A 93 -7.620 9.958 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.404 8.536 4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.210 9.989 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.020 9.656 6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.989 10.583 5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.936 11.770 6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.477 12.394 5.197 1.00 0.00 H new ATOM 1357 N THR A 94 -8.076 7.646 4.383 1.00 0.00 N ATOM 1358 CA THR A 94 -8.741 6.477 4.944 1.00 0.00 C ATOM 1359 C THR A 94 -8.503 5.242 4.081 1.00 0.00 C ATOM 1360 O THR A 94 -8.831 5.230 2.894 1.00 0.00 O ATOM 1361 CB THR A 94 -10.257 6.706 5.085 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.508 7.762 6.019 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.956 5.437 5.547 1.00 0.00 C ATOM 0 H THR A 94 -7.833 7.559 3.396 1.00 0.00 H new ATOM 0 HA THR A 94 -8.313 6.314 5.933 1.00 0.00 H new ATOM 0 HB THR A 94 -10.652 6.984 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.294 8.272 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.026 5.624 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.788 4.643 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.556 5.133 6.514 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.932 4.205 4.685 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.651 2.965 3.971 1.00 0.00 C ATOM 1373 C PHE A 95 -8.568 1.843 4.447 1.00 0.00 C ATOM 1374 O PHE A 95 -8.994 1.822 5.603 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.188 2.561 4.166 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.213 3.641 3.794 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.993 4.716 4.639 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.516 3.580 2.598 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -4.096 5.711 4.300 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.617 4.572 2.253 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.408 5.640 3.105 1.00 0.00 C ATOM 0 H PHE A 95 -7.655 4.199 5.667 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.836 3.135 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.032 2.285 5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.981 1.674 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.529 4.777 5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.677 2.748 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.933 6.543 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.079 4.512 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.708 6.417 2.837 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.870 0.912 3.549 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.738 -0.214 3.876 1.00 0.00 C ATOM 1393 C LEU A 96 -9.190 -1.512 3.291 1.00 0.00 C ATOM 1394 O LEU A 96 -9.264 -1.741 2.084 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.152 0.038 3.351 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.039 0.936 4.215 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.332 1.268 3.487 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.333 0.269 5.551 1.00 0.00 C ATOM 0 H LEU A 96 -8.527 0.914 2.589 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.772 -0.312 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.076 0.483 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.650 -0.924 3.231 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.504 1.866 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.950 1.908 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.103 1.788 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.871 0.347 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.965 0.922 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.847 -0.677 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.397 0.083 6.079 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.641 -2.359 4.155 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.081 -3.635 3.725 1.00 0.00 C ATOM 1412 C PHE A 97 -9.181 -4.674 3.533 1.00 0.00 C ATOM 1413 O PHE A 97 -9.983 -4.919 4.435 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.060 -4.139 4.747 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.923 -3.185 4.979 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.059 -2.124 5.860 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.718 -3.348 4.315 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.015 -1.245 6.076 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.670 -2.473 4.527 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.819 -1.419 5.408 1.00 0.00 C ATOM 0 H PHE A 97 -8.572 -2.185 5.158 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.581 -3.480 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.567 -4.325 5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.659 -5.094 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.993 -1.982 6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.596 -4.169 3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.134 -0.423 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.735 -2.613 4.005 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.002 -0.733 5.574 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.213 -5.282 2.352 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.215 -6.295 2.040 1.00 0.00 C ATOM 1432 C PHE A 98 -9.554 -7.615 1.655 1.00 0.00 C ATOM 1433 O PHE A 98 -8.728 -7.666 0.743 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.120 -5.814 0.904 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.964 -4.627 1.271 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -12.831 -4.684 2.350 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.892 -3.455 0.535 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.609 -3.593 2.691 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.667 -2.361 0.872 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.527 -2.431 1.950 1.00 0.00 C ATOM 0 H PHE A 98 -8.557 -5.091 1.595 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.819 -6.459 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.503 -5.559 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.772 -6.632 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -12.900 -5.591 2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.223 -3.396 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.280 -3.650 3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.600 -1.452 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.135 -1.578 2.213 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.921 -8.681 2.357 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.366 -10.002 2.091 1.00 0.00 C ATOM 1452 C LYS A 99 -10.463 -10.983 1.691 1.00 0.00 C ATOM 1453 O LYS A 99 -11.202 -11.482 2.539 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.624 -10.524 3.323 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.795 -11.768 3.053 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.481 -11.426 2.371 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.507 -10.769 3.336 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.091 -11.048 2.970 1.00 0.00 N ATOM 0 H LYS A 99 -10.602 -8.656 3.116 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.663 -9.913 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.971 -9.738 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.349 -10.744 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.595 -12.284 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.363 -12.456 2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.035 -12.333 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.669 -10.758 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.675 -9.692 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.699 -11.129 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.464 -10.404 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.857 -12.032 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.961 -10.903 1.948 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.563 -11.257 0.394 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.570 -12.180 -0.117 1.00 0.00 C ATOM 1474 C ASN A 100 -12.959 -11.550 -0.070 1.00 0.00 C ATOM 1475 O ASN A 100 -13.959 -12.242 0.119 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.559 -13.478 0.692 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.979 -14.678 -0.136 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -11.489 -14.883 -1.246 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -12.892 -15.478 0.404 1.00 0.00 N ATOM 0 H ASN A 100 -9.959 -10.853 -0.322 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.327 -12.405 -1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.558 -13.647 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.229 -13.377 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -13.214 -16.301 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -13.271 -15.269 1.328 1.00 0.00 H new ATOM 1486 N SER A 101 -13.012 -10.233 -0.245 1.00 0.00 N ATOM 1487 CA SER A 101 -14.277 -9.509 -0.220 1.00 0.00 C ATOM 1488 C SER A 101 -14.803 -9.384 1.207 1.00 0.00 C ATOM 1489 O SER A 101 -16.011 -9.410 1.439 1.00 0.00 O ATOM 1490 CB SER A 101 -15.312 -10.217 -1.096 1.00 0.00 C ATOM 1491 OG SER A 101 -16.376 -9.345 -1.435 1.00 0.00 O ATOM 0 H SER A 101 -12.193 -9.646 -0.406 1.00 0.00 H new ATOM 0 HA SER A 101 -14.102 -8.508 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.834 -10.583 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.704 -11.087 -0.569 1.00 0.00 H new ATOM 0 HG SER A 101 -16.775 -8.982 -0.617 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.885 -9.248 2.159 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.256 -9.119 3.564 1.00 0.00 C ATOM 1499 C GLN A 102 -13.253 -8.249 4.314 1.00 0.00 C ATOM 1500 O GLN A 102 -12.059 -8.549 4.350 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.342 -10.499 4.219 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.421 -11.389 3.623 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.873 -12.476 4.577 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -16.680 -12.234 5.475 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -15.355 -13.684 4.387 1.00 0.00 N ATOM 0 H GLN A 102 -12.880 -9.224 1.984 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.234 -8.639 3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.378 -10.998 4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.533 -10.375 5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.278 -10.777 3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.045 -11.847 2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.689 -13.840 3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.623 -14.456 4.998 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.745 -7.170 4.912 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.893 -6.255 5.663 1.00 0.00 C ATOM 1516 C LYS A 103 -12.288 -6.949 6.879 1.00 0.00 C ATOM 1517 O LYS A 103 -13.001 -7.567 7.671 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.693 -5.029 6.108 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.826 -3.874 6.578 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.663 -2.658 6.936 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.434 -2.874 8.230 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.375 -1.754 8.508 1.00 0.00 N ATOM 0 H LYS A 103 -14.730 -6.907 4.891 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.082 -5.934 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.315 -4.691 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.366 -5.318 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.244 -4.184 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.115 -3.610 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.016 -1.787 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.361 -2.444 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.990 -3.809 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.733 -2.973 9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.881 -1.939 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.842 -0.865 8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.060 -1.675 7.730 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.971 -6.843 7.022 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.272 -7.458 8.143 1.00 0.00 C ATOM 1538 C ILE A 104 -9.453 -6.428 8.912 1.00 0.00 C ATOM 1539 O ILE A 104 -9.158 -6.611 10.094 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.341 -8.591 7.672 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.335 -8.061 6.648 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.153 -9.734 7.082 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -7.162 -8.989 6.417 1.00 0.00 C ATOM 0 H ILE A 104 -10.367 -6.337 6.375 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.035 -7.875 8.800 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.790 -8.970 8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.847 -7.893 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.962 -7.094 6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.481 -10.527 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.833 -10.125 7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.728 -9.370 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.490 -8.550 5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.625 -9.137 7.354 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.525 -9.949 6.050 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.089 -5.345 8.235 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.305 -4.283 8.856 1.00 0.00 C ATOM 1557 C ASP A 105 -8.689 -2.921 8.286 1.00 0.00 C ATOM 1558 O ASP A 105 -9.393 -2.834 7.280 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.811 -4.534 8.648 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.947 -3.555 9.418 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -5.698 -2.446 8.899 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.520 -3.898 10.540 1.00 0.00 O ATOM 0 H ASP A 105 -9.324 -5.179 7.256 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.520 -4.284 9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.569 -5.550 8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.578 -4.462 7.586 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.223 -1.860 8.937 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.519 -0.502 8.497 1.00 0.00 C ATOM 1569 C ARG A 106 -7.555 0.497 9.129 1.00 0.00 C ATOM 1570 O ARG A 106 -7.124 0.324 10.270 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.960 -0.131 8.853 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.275 1.344 8.659 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.485 1.767 9.477 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.219 2.859 8.843 1.00 0.00 N ATOM 1575 CZ ARG A 106 -12.994 3.708 9.509 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.134 3.592 10.822 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.629 4.676 8.861 1.00 0.00 N ATOM 0 H ARG A 106 -7.639 -1.915 9.771 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.397 -0.463 7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.640 -0.723 8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.150 -0.401 9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.411 1.943 8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.461 1.542 7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.149 0.913 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.161 2.077 10.470 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.132 2.976 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.646 2.850 11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.730 4.245 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.522 4.769 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.224 5.327 9.373 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.219 1.542 8.380 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.305 2.569 8.866 1.00 0.00 C ATOM 1593 C LEU A 107 -6.884 3.963 8.645 1.00 0.00 C ATOM 1594 O LEU A 107 -7.040 4.408 7.508 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.952 2.450 8.163 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.736 2.916 8.964 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.455 2.676 8.178 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.870 4.387 9.331 1.00 0.00 C ATOM 0 H LEU A 107 -7.566 1.700 7.434 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.166 2.419 9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.800 1.407 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.994 3.024 7.238 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.688 2.335 9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.600 3.014 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.352 1.612 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.494 3.230 7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.995 4.701 9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.944 4.984 8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.767 4.531 9.934 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.200 4.647 9.739 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.759 5.992 9.665 1.00 0.00 C ATOM 1612 C ASP A 108 -6.718 7.036 10.060 1.00 0.00 C ATOM 1613 O ASP A 108 -6.232 7.046 11.190 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.985 6.108 10.572 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.796 5.393 11.895 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -8.077 5.930 12.763 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -9.369 4.296 12.063 1.00 0.00 O ATOM 0 H ASP A 108 -7.079 4.292 10.688 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.060 6.177 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.197 7.161 10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.853 5.694 10.059 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.380 7.912 9.119 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.398 8.947 9.387 1.00 0.00 C ATOM 1624 C GLY A 109 -4.232 8.905 8.420 1.00 0.00 C ATOM 1625 O GLY A 109 -3.894 7.846 7.891 1.00 0.00 O ATOM 0 H GLY A 109 -6.768 7.924 8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.879 9.923 9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.026 8.835 10.405 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.617 10.059 8.187 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.482 10.150 7.276 1.00 0.00 C ATOM 1631 C ALA A 110 -1.211 9.615 7.928 1.00 0.00 C ATOM 1632 O ALA A 110 -0.415 10.377 8.478 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.281 11.589 6.826 1.00 0.00 C ATOM 0 H ALA A 110 -3.885 10.945 8.616 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.698 9.535 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.430 11.642 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.177 11.939 6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.091 12.219 7.695 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.027 8.300 7.864 1.00 0.00 N ATOM 1640 CA HIS A 111 0.148 7.664 8.449 1.00 0.00 C ATOM 1641 C HIS A 111 1.003 7.007 7.369 1.00 0.00 C ATOM 1642 O HIS A 111 0.584 6.039 6.735 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.273 6.622 9.486 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.988 7.206 10.665 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.360 7.979 11.619 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.286 7.129 11.041 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.240 8.349 12.532 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.417 7.847 12.204 1.00 0.00 N ATOM 0 H HIS A 111 -1.676 7.655 7.413 1.00 0.00 H new ATOM 0 HA HIS A 111 0.742 8.435 8.940 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.919 5.886 9.008 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.612 6.090 9.835 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.073 6.601 10.523 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.032 8.958 13.399 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.282 7.972 12.729 1.00 0.00 H new ATOM 1657 N ALA A 112 2.204 7.540 7.167 1.00 0.00 N ATOM 1658 CA ALA A 112 3.118 7.005 6.166 1.00 0.00 C ATOM 1659 C ALA A 112 3.593 5.607 6.547 1.00 0.00 C ATOM 1660 O ALA A 112 3.394 4.637 5.816 1.00 0.00 O ATOM 1661 CB ALA A 112 4.307 7.937 5.985 1.00 0.00 C ATOM 0 H ALA A 112 2.566 8.342 7.683 1.00 0.00 H new ATOM 0 HA ALA A 112 2.580 6.932 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.981 7.525 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.956 8.916 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.837 8.039 6.932 1.00 0.00 H new ATOM 1667 N PRO A 113 4.236 5.499 7.719 1.00 0.00 N ATOM 1668 CA PRO A 113 4.753 4.223 8.223 1.00 0.00 C ATOM 1669 C PRO A 113 3.638 3.269 8.636 1.00 0.00 C ATOM 1670 O PRO A 113 3.613 2.112 8.218 1.00 0.00 O ATOM 1671 CB PRO A 113 5.584 4.634 9.442 1.00 0.00 C ATOM 1672 CG PRO A 113 4.988 5.924 9.889 1.00 0.00 C ATOM 1673 CD PRO A 113 4.509 6.614 8.642 1.00 0.00 C ATOM 0 HA PRO A 113 5.321 3.685 7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.533 3.881 10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.636 4.753 9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.164 5.754 10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.724 6.533 10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.615 7.208 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.264 7.291 8.242 1.00 0.00 H new ATOM 1681 N GLU A 114 2.717 3.762 9.458 1.00 0.00 N ATOM 1682 CA GLU A 114 1.599 2.951 9.927 1.00 0.00 C ATOM 1683 C GLU A 114 0.953 2.194 8.770 1.00 0.00 C ATOM 1684 O GLU A 114 0.559 1.036 8.914 1.00 0.00 O ATOM 1685 CB GLU A 114 0.557 3.831 10.620 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.285 3.087 11.643 1.00 0.00 C ATOM 1687 CD GLU A 114 0.555 2.398 12.701 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.543 3.008 13.162 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.226 1.251 13.067 1.00 0.00 O ATOM 0 H GLU A 114 2.723 4.718 9.813 1.00 0.00 H new ATOM 0 HA GLU A 114 1.985 2.225 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.064 4.660 11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.101 4.263 9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.967 3.788 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.899 2.345 11.132 1.00 0.00 H new ATOM 1696 N LEU A 115 0.848 2.857 7.624 1.00 0.00 N ATOM 1697 CA LEU A 115 0.249 2.248 6.441 1.00 0.00 C ATOM 1698 C LEU A 115 1.095 1.081 5.942 1.00 0.00 C ATOM 1699 O LEU A 115 0.613 -0.047 5.831 1.00 0.00 O ATOM 1700 CB LEU A 115 0.092 3.289 5.331 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.657 2.829 4.080 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.133 2.626 4.385 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.476 3.833 2.951 1.00 0.00 C ATOM 0 H LEU A 115 1.169 3.815 7.488 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.735 1.868 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.427 4.155 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.085 3.625 5.032 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.239 1.874 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.649 2.299 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.243 1.869 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.566 3.565 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.016 3.489 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.866 4.803 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.584 3.927 2.714 1.00 0.00 H new ATOM 1715 N THR A 116 2.360 1.358 5.643 1.00 0.00 N ATOM 1716 CA THR A 116 3.274 0.332 5.158 1.00 0.00 C ATOM 1717 C THR A 116 3.206 -0.920 6.025 1.00 0.00 C ATOM 1718 O THR A 116 2.944 -2.017 5.531 1.00 0.00 O ATOM 1719 CB THR A 116 4.727 0.843 5.126 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.801 2.063 4.382 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.651 -0.194 4.505 1.00 0.00 C ATOM 0 H THR A 116 2.775 2.286 5.728 1.00 0.00 H new ATOM 0 HA THR A 116 2.961 0.085 4.143 1.00 0.00 H new ATOM 0 HB THR A 116 5.048 1.025 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.728 2.382 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.672 0.189 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.615 -1.112 5.092 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.330 -0.403 3.485 1.00 0.00 H new ATOM 1729 N LYS A 117 3.442 -0.750 7.321 1.00 0.00 N ATOM 1730 CA LYS A 117 3.405 -1.865 8.259 1.00 0.00 C ATOM 1731 C LYS A 117 2.193 -2.754 8.000 1.00 0.00 C ATOM 1732 O LYS A 117 2.330 -3.954 7.759 1.00 0.00 O ATOM 1733 CB LYS A 117 3.374 -1.348 9.699 1.00 0.00 C ATOM 1734 CG LYS A 117 4.686 -0.734 10.154 1.00 0.00 C ATOM 1735 CD LYS A 117 4.474 0.271 11.273 1.00 0.00 C ATOM 1736 CE LYS A 117 4.267 -0.422 12.612 1.00 0.00 C ATOM 1737 NZ LYS A 117 5.523 -1.044 13.114 1.00 0.00 N ATOM 0 H LYS A 117 3.661 0.151 7.746 1.00 0.00 H new ATOM 0 HA LYS A 117 4.307 -2.459 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.583 -0.604 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.117 -2.171 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.359 -1.522 10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 117 5.171 -0.243 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.336 0.935 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.608 0.893 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.902 0.300 13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.498 -1.188 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 5.427 -1.249 14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.703 -1.929 12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.318 -0.390 12.966 1.00 0.00 H new ATOM 1751 N LYS A 118 1.007 -2.158 8.051 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.230 -2.894 7.820 1.00 0.00 C ATOM 1753 C LYS A 118 -0.209 -3.580 6.457 1.00 0.00 C ATOM 1754 O LYS A 118 -0.515 -4.767 6.344 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.433 -1.952 7.909 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.845 -1.625 9.334 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.913 -0.546 9.373 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.514 -0.405 10.763 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.445 -1.522 11.080 1.00 0.00 N ATOM 0 H LYS A 118 0.876 -1.166 8.250 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.317 -3.659 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.198 -1.025 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.278 -2.405 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.219 -2.526 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.973 -1.295 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.481 0.406 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.700 -0.786 8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.714 -0.377 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.047 0.543 10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.885 -1.354 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.184 -1.576 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.917 -2.418 11.104 1.00 0.00 H new ATOM 1773 N VAL A 119 0.156 -2.825 5.426 1.00 0.00 N ATOM 1774 CA VAL A 119 0.220 -3.361 4.071 1.00 0.00 C ATOM 1775 C VAL A 119 1.089 -4.612 4.016 1.00 0.00 C ATOM 1776 O VAL A 119 0.705 -5.620 3.423 1.00 0.00 O ATOM 1777 CB VAL A 119 0.776 -2.320 3.082 1.00 0.00 C ATOM 1778 CG1 VAL A 119 0.838 -2.899 1.676 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.070 -1.055 3.109 1.00 0.00 C ATOM 0 H VAL A 119 0.412 -1.841 5.503 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.800 -3.617 3.783 1.00 0.00 H new ATOM 0 HB VAL A 119 1.789 -2.059 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.233 -2.149 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.488 -3.774 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.163 -3.189 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.337 -0.330 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.095 -1.297 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.058 -0.631 4.113 1.00 0.00 H new ATOM 1789 N GLN A 120 2.262 -4.540 4.638 1.00 0.00 N ATOM 1790 CA GLN A 120 3.186 -5.668 4.659 1.00 0.00 C ATOM 1791 C GLN A 120 2.608 -6.830 5.461 1.00 0.00 C ATOM 1792 O GLN A 120 2.560 -7.963 4.982 1.00 0.00 O ATOM 1793 CB GLN A 120 4.530 -5.242 5.252 1.00 0.00 C ATOM 1794 CG GLN A 120 5.189 -4.096 4.503 1.00 0.00 C ATOM 1795 CD GLN A 120 6.332 -3.472 5.280 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.294 -3.393 6.508 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.359 -3.025 4.566 1.00 0.00 N ATOM 0 H GLN A 120 2.595 -3.713 5.134 1.00 0.00 H new ATOM 0 HA GLN A 120 3.339 -6.000 3.632 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.383 -4.949 6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.204 -6.098 5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.561 -4.459 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.443 -3.332 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.349 -3.111 3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.157 -2.596 5.034 1.00 0.00 H new ATOM 1806 N ARG A 121 2.171 -6.540 6.682 1.00 0.00 N ATOM 1807 CA ARG A 121 1.598 -7.562 7.550 1.00 0.00 C ATOM 1808 C ARG A 121 0.578 -8.408 6.794 1.00 0.00 C ATOM 1809 O ARG A 121 0.719 -9.628 6.696 1.00 0.00 O ATOM 1810 CB ARG A 121 0.937 -6.914 8.768 1.00 0.00 C ATOM 1811 CG ARG A 121 0.122 -7.885 9.607 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.427 -7.215 10.857 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.858 -8.190 11.856 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.019 -8.955 12.545 1.00 0.00 C ATOM 1815 NH1 ARG A 121 1.288 -8.859 12.346 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -0.488 -9.819 13.437 1.00 0.00 N ATOM 0 H ARG A 121 2.203 -5.607 7.092 1.00 0.00 H new ATOM 0 HA ARG A 121 2.406 -8.212 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.708 -6.465 9.394 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.289 -6.105 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.702 -8.279 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.744 -8.734 9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.338 -6.569 11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.268 -6.577 10.587 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.858 -8.289 12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.652 -8.196 11.662 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.929 -9.448 12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.493 -9.896 13.593 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.157 -10.406 13.966 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.449 -7.754 6.262 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.493 -8.446 5.515 1.00 0.00 C ATOM 1832 C HIS A 122 -0.937 -9.031 4.220 1.00 0.00 C ATOM 1833 O HIS A 122 -1.228 -10.174 3.868 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.645 -7.491 5.203 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.201 -6.807 6.415 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.743 -7.491 7.482 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.294 -5.493 6.725 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.148 -6.627 8.396 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.886 -5.407 7.961 1.00 0.00 N ATOM 0 H HIS A 122 -0.581 -6.745 6.334 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.866 -9.263 6.132 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.299 -6.736 4.496 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.443 -8.046 4.711 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.819 -8.506 7.555 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.964 -4.666 6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.614 -6.876 9.338 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.136 -8.239 3.514 1.00 0.00 N ATOM 1849 CA ALA A 123 0.461 -8.678 2.259 1.00 0.00 C ATOM 1850 C ALA A 123 0.850 -10.151 2.323 1.00 0.00 C ATOM 1851 O ALA A 123 0.671 -10.893 1.357 1.00 0.00 O ATOM 1852 CB ALA A 123 1.675 -7.824 1.925 1.00 0.00 C ATOM 0 H ALA A 123 0.114 -7.290 3.790 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.282 -8.559 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.111 -8.163 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.371 -6.782 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.414 -7.915 2.721 1.00 0.00 H new ATOM 1858 N SER A 124 1.383 -10.569 3.466 1.00 0.00 N ATOM 1859 CA SER A 124 1.802 -11.953 3.654 1.00 0.00 C ATOM 1860 C SER A 124 0.767 -12.916 3.081 1.00 0.00 C ATOM 1861 O SER A 124 -0.293 -13.129 3.671 1.00 0.00 O ATOM 1862 CB SER A 124 2.020 -12.245 5.140 1.00 0.00 C ATOM 1863 OG SER A 124 3.281 -11.766 5.574 1.00 0.00 O ATOM 0 H SER A 124 1.535 -9.969 4.277 1.00 0.00 H new ATOM 0 HA SER A 124 2.742 -12.098 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.229 -11.777 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 124 1.955 -13.319 5.316 1.00 0.00 H new ATOM 0 HG SER A 124 3.395 -11.963 6.527 1.00 0.00 H new ATOM 1869 N SER A 125 1.081 -13.496 1.927 1.00 0.00 N ATOM 1870 CA SER A 125 0.177 -14.433 1.271 1.00 0.00 C ATOM 1871 C SER A 125 0.594 -15.874 1.549 1.00 0.00 C ATOM 1872 O SER A 125 1.650 -16.323 1.107 1.00 0.00 O ATOM 1873 CB SER A 125 0.152 -14.180 -0.237 1.00 0.00 C ATOM 1874 OG SER A 125 1.143 -14.947 -0.900 1.00 0.00 O ATOM 0 H SER A 125 1.955 -13.333 1.427 1.00 0.00 H new ATOM 0 HA SER A 125 -0.823 -14.277 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.832 -14.430 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 125 0.316 -13.120 -0.434 1.00 0.00 H new ATOM 0 HG SER A 125 1.838 -15.206 -0.260 1.00 0.00 H new ATOM 1880 N GLY A 126 -0.245 -16.595 2.287 1.00 0.00 N ATOM 1881 CA GLY A 126 0.052 -17.977 2.613 1.00 0.00 C ATOM 1882 C GLY A 126 0.084 -18.868 1.387 1.00 0.00 C ATOM 1883 O GLY A 126 1.078 -18.929 0.663 1.00 0.00 O ATOM 0 H GLY A 126 -1.126 -16.246 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.015 -18.028 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -0.697 -18.351 3.311 1.00 0.00 H new ATOM 1887 N PRO A 127 -1.025 -19.581 1.140 1.00 0.00 N ATOM 1888 CA PRO A 127 -1.145 -20.486 -0.007 1.00 0.00 C ATOM 1889 C PRO A 127 -1.213 -19.737 -1.333 1.00 0.00 C ATOM 1890 O PRO A 127 -2.295 -19.376 -1.797 1.00 0.00 O ATOM 1891 CB PRO A 127 -2.460 -21.223 0.260 1.00 0.00 C ATOM 1892 CG PRO A 127 -3.249 -20.293 1.114 1.00 0.00 C ATOM 1893 CD PRO A 127 -2.248 -19.557 1.960 1.00 0.00 C ATOM 0 HA PRO A 127 -0.282 -21.145 -0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.984 -21.448 -0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.286 -22.173 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.829 -19.600 0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -3.958 -20.840 1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.571 -18.537 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -2.097 -20.047 2.922 1.00 0.00 H new ATOM 1901 N SER A 128 -0.053 -19.507 -1.938 1.00 0.00 N ATOM 1902 CA SER A 128 0.019 -18.797 -3.210 1.00 0.00 C ATOM 1903 C SER A 128 0.475 -19.730 -4.328 1.00 0.00 C ATOM 1904 O SER A 128 1.272 -20.641 -4.104 1.00 0.00 O ATOM 1905 CB SER A 128 0.976 -17.608 -3.101 1.00 0.00 C ATOM 1906 OG SER A 128 2.286 -18.036 -2.772 1.00 0.00 O ATOM 0 H SER A 128 0.851 -19.802 -1.568 1.00 0.00 H new ATOM 0 HA SER A 128 -0.979 -18.431 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 128 0.994 -17.064 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 128 0.615 -16.915 -2.341 1.00 0.00 H new ATOM 0 HG SER A 128 2.878 -17.258 -2.710 1.00 0.00 H new ATOM 1912 N SER A 129 -0.038 -19.496 -5.531 1.00 0.00 N ATOM 1913 CA SER A 129 0.312 -20.316 -6.684 1.00 0.00 C ATOM 1914 C SER A 129 1.726 -20.004 -7.165 1.00 0.00 C ATOM 1915 O SER A 129 2.522 -20.907 -7.418 1.00 0.00 O ATOM 1916 CB SER A 129 -0.686 -20.089 -7.821 1.00 0.00 C ATOM 1917 OG SER A 129 -1.855 -20.869 -7.636 1.00 0.00 O ATOM 0 H SER A 129 -0.698 -18.745 -5.733 1.00 0.00 H new ATOM 0 HA SER A 129 0.273 -21.362 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.953 -19.033 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.221 -20.344 -8.773 1.00 0.00 H new ATOM 0 HG SER A 129 -2.478 -20.705 -8.375 1.00 0.00 H new ATOM 1923 N GLY A 130 2.031 -18.715 -7.288 1.00 0.00 N ATOM 1924 CA GLY A 130 3.349 -18.305 -7.737 1.00 0.00 C ATOM 1925 C GLY A 130 3.508 -18.412 -9.241 1.00 0.00 C ATOM 1926 O GLY A 130 2.527 -18.341 -9.982 1.00 0.00 O ATOM 0 H GLY A 130 1.389 -17.948 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 130 3.531 -17.276 -7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 130 4.104 -18.922 -7.250 1.00 0.00 H new TER 1930 GLY A 130