USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0.127 USER MOD Set 1.2: A 37 SER OG : rot 156:sc= 0.0787 USER MOD Set 1.3: A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 3 SER OG : rot 50:sc= 1.13 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.92 K(o=-0.92,f=-3.5!) USER MOD Single : A 15 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 21 GLN : amide:sc= -4.4 K(o=-4.4,f=-6.4!) USER MOD Single : A 24 SER OG : rot -77:sc= 1.16 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.5!) USER MOD Single : A 31 SER OG : rot -70:sc= 1.16 USER MOD Single : A 39 CYS SG : rot 67:sc= -1.12 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -178:sc= -3.97! (180deg=-4.03) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -117:sc= 1.15 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 TYR OH : rot 30:sc= -0.0818 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.513 K(o=-0.51,f=-1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.161 F(o=-2.9!,f=-0.16) USER MOD Single : A 85 LYS NZ :NH3+ 159:sc= 0.742 (180deg=0.492) USER MOD Single : A 87 TYR OH : rot 39:sc= -0.681 USER MOD Single : A 90 CYS SG : rot 19:sc= 0.0978 USER MOD Single : A 91 GLN : amide:sc=-0.00936 X(o=-0.0094,f=-0.13) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 38:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.988 -23.818 23.365 1.00 0.00 N ATOM 2 CA GLY A 1 5.521 -25.208 23.626 1.00 0.00 C ATOM 3 C GLY A 1 5.324 -26.003 22.350 1.00 0.00 C ATOM 4 O GLY A 1 6.285 -26.283 21.631 1.00 0.00 O ATOM 0 H1 GLY A 1 6.107 -23.317 24.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.898 -23.846 22.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.285 -23.319 22.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.246 -25.718 24.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.582 -25.175 24.178 1.00 0.00 H new ATOM 10 N SER A 2 4.078 -26.366 22.067 1.00 0.00 N ATOM 11 CA SER A 2 3.759 -27.133 20.869 1.00 0.00 C ATOM 12 C SER A 2 3.328 -26.212 19.732 1.00 0.00 C ATOM 13 O SER A 2 2.385 -25.433 19.875 1.00 0.00 O ATOM 14 CB SER A 2 2.652 -28.147 21.167 1.00 0.00 C ATOM 15 OG SER A 2 1.736 -27.637 22.120 1.00 0.00 O ATOM 0 H SER A 2 3.272 -26.141 22.651 1.00 0.00 H new ATOM 0 HA SER A 2 4.658 -27.667 20.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.124 -28.394 20.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.092 -29.072 21.540 1.00 0.00 H new ATOM 0 HG SER A 2 1.038 -28.303 22.292 1.00 0.00 H new ATOM 21 N SER A 3 4.024 -26.306 18.605 1.00 0.00 N ATOM 22 CA SER A 3 3.713 -25.481 17.443 1.00 0.00 C ATOM 23 C SER A 3 4.575 -25.877 16.248 1.00 0.00 C ATOM 24 O SER A 3 5.795 -25.998 16.363 1.00 0.00 O ATOM 25 CB SER A 3 3.926 -24.002 17.772 1.00 0.00 C ATOM 26 OG SER A 3 2.712 -23.389 18.174 1.00 0.00 O ATOM 0 H SER A 3 4.808 -26.945 18.471 1.00 0.00 H new ATOM 0 HA SER A 3 2.667 -25.642 17.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.666 -23.906 18.566 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.326 -23.486 16.899 1.00 0.00 H new ATOM 0 HG SER A 3 2.282 -23.936 18.864 1.00 0.00 H new ATOM 32 N GLY A 4 3.932 -26.080 15.103 1.00 0.00 N ATOM 33 CA GLY A 4 4.655 -26.461 13.903 1.00 0.00 C ATOM 34 C GLY A 4 4.451 -25.479 12.766 1.00 0.00 C ATOM 35 O GLY A 4 3.386 -24.875 12.642 1.00 0.00 O ATOM 0 H GLY A 4 2.923 -25.988 14.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.719 -26.532 14.131 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.330 -27.452 13.586 1.00 0.00 H new ATOM 39 N SER A 5 5.475 -25.320 11.933 1.00 0.00 N ATOM 40 CA SER A 5 5.404 -24.404 10.801 1.00 0.00 C ATOM 41 C SER A 5 5.850 -25.094 9.515 1.00 0.00 C ATOM 42 O SER A 5 7.045 -25.234 9.255 1.00 0.00 O ATOM 43 CB SER A 5 6.273 -23.172 11.059 1.00 0.00 C ATOM 44 OG SER A 5 5.649 -21.996 10.575 1.00 0.00 O ATOM 0 H SER A 5 6.363 -25.814 12.021 1.00 0.00 H new ATOM 0 HA SER A 5 4.367 -24.090 10.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.461 -23.074 12.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.241 -23.299 10.575 1.00 0.00 H new ATOM 0 HG SER A 5 6.224 -21.223 10.754 1.00 0.00 H new ATOM 50 N SER A 6 4.881 -25.523 8.713 1.00 0.00 N ATOM 51 CA SER A 6 5.171 -26.198 7.454 1.00 0.00 C ATOM 52 C SER A 6 4.204 -25.752 6.362 1.00 0.00 C ATOM 53 O SER A 6 3.154 -26.363 6.163 1.00 0.00 O ATOM 54 CB SER A 6 5.092 -27.716 7.634 1.00 0.00 C ATOM 55 OG SER A 6 5.437 -28.092 8.955 1.00 0.00 O ATOM 0 H SER A 6 3.887 -25.415 8.913 1.00 0.00 H new ATOM 0 HA SER A 6 6.182 -25.928 7.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.083 -28.060 7.407 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.762 -28.204 6.927 1.00 0.00 H new ATOM 0 HG SER A 6 5.377 -29.066 9.044 1.00 0.00 H new ATOM 61 N GLY A 7 4.566 -24.684 5.659 1.00 0.00 N ATOM 62 CA GLY A 7 3.718 -24.175 4.596 1.00 0.00 C ATOM 63 C GLY A 7 3.633 -25.123 3.417 1.00 0.00 C ATOM 64 O GLY A 7 2.990 -26.169 3.498 1.00 0.00 O ATOM 0 H GLY A 7 5.430 -24.162 5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.717 -23.997 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.103 -23.213 4.258 1.00 0.00 H new ATOM 68 N ASN A 8 4.285 -24.758 2.317 1.00 0.00 N ATOM 69 CA ASN A 8 4.280 -25.583 1.116 1.00 0.00 C ATOM 70 C ASN A 8 5.704 -25.885 0.657 1.00 0.00 C ATOM 71 O ASN A 8 6.503 -24.974 0.440 1.00 0.00 O ATOM 72 CB ASN A 8 3.510 -24.884 -0.005 1.00 0.00 C ATOM 73 CG ASN A 8 2.037 -25.244 -0.006 1.00 0.00 C ATOM 74 OD1 ASN A 8 1.660 -26.363 -0.357 1.00 0.00 O ATOM 75 ND2 ASN A 8 1.195 -24.296 0.387 1.00 0.00 N ATOM 0 H ASN A 8 4.823 -23.896 2.234 1.00 0.00 H new ATOM 0 HA ASN A 8 3.786 -26.525 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.617 -23.805 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.948 -25.154 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.192 -24.481 0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.551 -23.383 0.669 1.00 0.00 H new ATOM 82 N GLU A 9 6.012 -27.169 0.512 1.00 0.00 N ATOM 83 CA GLU A 9 7.339 -27.592 0.079 1.00 0.00 C ATOM 84 C GLU A 9 7.402 -27.717 -1.439 1.00 0.00 C ATOM 85 O GLU A 9 8.440 -27.466 -2.050 1.00 0.00 O ATOM 86 CB GLU A 9 7.708 -28.929 0.727 1.00 0.00 C ATOM 87 CG GLU A 9 7.930 -28.837 2.228 1.00 0.00 C ATOM 88 CD GLU A 9 8.392 -30.149 2.830 1.00 0.00 C ATOM 89 OE1 GLU A 9 9.597 -30.461 2.720 1.00 0.00 O ATOM 90 OE2 GLU A 9 7.549 -30.865 3.410 1.00 0.00 O ATOM 0 H GLU A 9 5.361 -27.935 0.688 1.00 0.00 H new ATOM 0 HA GLU A 9 8.055 -26.833 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.915 -29.650 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.613 -29.313 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.671 -28.065 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.003 -28.526 2.710 1.00 0.00 H new ATOM 97 N GLU A 10 6.283 -28.107 -2.042 1.00 0.00 N ATOM 98 CA GLU A 10 6.211 -28.266 -3.490 1.00 0.00 C ATOM 99 C GLU A 10 6.378 -26.922 -4.195 1.00 0.00 C ATOM 100 O GLU A 10 7.088 -26.821 -5.196 1.00 0.00 O ATOM 101 CB GLU A 10 4.878 -28.902 -3.888 1.00 0.00 C ATOM 102 CG GLU A 10 4.868 -30.417 -3.767 1.00 0.00 C ATOM 103 CD GLU A 10 3.618 -31.042 -4.356 1.00 0.00 C ATOM 104 OE1 GLU A 10 2.517 -30.500 -4.120 1.00 0.00 O ATOM 105 OE2 GLU A 10 3.740 -32.070 -5.052 1.00 0.00 O ATOM 0 H GLU A 10 5.415 -28.319 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 10 7.025 -28.921 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.087 -28.490 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.646 -28.626 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.745 -30.824 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.947 -30.694 -2.716 1.00 0.00 H new ATOM 112 N LEU A 11 5.723 -25.895 -3.664 1.00 0.00 N ATOM 113 CA LEU A 11 5.800 -24.559 -4.243 1.00 0.00 C ATOM 114 C LEU A 11 6.804 -23.695 -3.487 1.00 0.00 C ATOM 115 O LEU A 11 6.649 -22.477 -3.401 1.00 0.00 O ATOM 116 CB LEU A 11 4.421 -23.894 -4.226 1.00 0.00 C ATOM 117 CG LEU A 11 4.110 -23.015 -5.439 1.00 0.00 C ATOM 118 CD1 LEU A 11 3.527 -23.852 -6.568 1.00 0.00 C ATOM 119 CD2 LEU A 11 3.155 -21.896 -5.055 1.00 0.00 C ATOM 0 H LEU A 11 5.133 -25.962 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 11 6.137 -24.656 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.661 -24.672 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.339 -23.286 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 11 5.040 -22.567 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.312 -23.211 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.245 -24.618 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.606 -24.328 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.945 -21.281 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.225 -22.324 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.609 -21.280 -4.279 1.00 0.00 H new ATOM 131 N ARG A 12 7.834 -24.333 -2.941 1.00 0.00 N ATOM 132 CA ARG A 12 8.865 -23.623 -2.192 1.00 0.00 C ATOM 133 C ARG A 12 9.999 -23.182 -3.111 1.00 0.00 C ATOM 134 O ARG A 12 10.625 -22.146 -2.887 1.00 0.00 O ATOM 135 CB ARG A 12 9.413 -24.509 -1.071 1.00 0.00 C ATOM 136 CG ARG A 12 9.672 -23.757 0.226 1.00 0.00 C ATOM 137 CD ARG A 12 9.801 -24.707 1.406 1.00 0.00 C ATOM 138 NE ARG A 12 11.157 -24.720 1.952 1.00 0.00 N ATOM 139 CZ ARG A 12 11.638 -23.783 2.766 1.00 0.00 C ATOM 140 NH1 ARG A 12 10.881 -22.753 3.125 1.00 0.00 N ATOM 141 NH2 ARG A 12 12.880 -23.874 3.221 1.00 0.00 N ATOM 0 H ARG A 12 7.977 -25.341 -3.003 1.00 0.00 H new ATOM 0 HA ARG A 12 8.413 -22.734 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.706 -25.316 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.342 -24.971 -1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.584 -23.168 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.858 -23.056 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.099 -24.414 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.527 -25.714 1.092 1.00 0.00 H new ATOM 0 HE ARG A 12 11.771 -25.493 1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.925 -22.677 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.255 -22.038 3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.467 -24.662 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.249 -23.156 3.845 1.00 0.00 H new ATOM 155 N ALA A 13 10.258 -23.975 -4.144 1.00 0.00 N ATOM 156 CA ALA A 13 11.316 -23.667 -5.098 1.00 0.00 C ATOM 157 C ALA A 13 10.751 -23.011 -6.352 1.00 0.00 C ATOM 158 O ALA A 13 11.424 -22.213 -7.006 1.00 0.00 O ATOM 159 CB ALA A 13 12.084 -24.929 -5.461 1.00 0.00 C ATOM 0 H ALA A 13 9.749 -24.837 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 13 12.000 -22.961 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.871 -24.684 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.529 -25.355 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.403 -25.654 -5.907 1.00 0.00 H new ATOM 165 N GLN A 14 9.509 -23.350 -6.683 1.00 0.00 N ATOM 166 CA GLN A 14 8.852 -22.794 -7.860 1.00 0.00 C ATOM 167 C GLN A 14 8.644 -21.289 -7.711 1.00 0.00 C ATOM 168 O GLN A 14 8.580 -20.561 -8.701 1.00 0.00 O ATOM 169 CB GLN A 14 7.507 -23.486 -8.094 1.00 0.00 C ATOM 170 CG GLN A 14 6.878 -23.155 -9.436 1.00 0.00 C ATOM 171 CD GLN A 14 6.045 -21.889 -9.393 1.00 0.00 C ATOM 172 OE1 GLN A 14 5.636 -21.436 -8.324 1.00 0.00 O ATOM 173 NE2 GLN A 14 5.788 -21.309 -10.560 1.00 0.00 N ATOM 0 H GLN A 14 8.937 -24.007 -6.152 1.00 0.00 H new ATOM 0 HA GLN A 14 9.498 -22.968 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.646 -24.565 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.818 -23.201 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.663 -23.044 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.251 -23.988 -9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.147 -21.718 -11.423 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.232 -20.454 -10.593 1.00 0.00 H new ATOM 182 N GLN A 15 8.540 -20.827 -6.467 1.00 0.00 N ATOM 183 CA GLN A 15 8.341 -19.408 -6.195 1.00 0.00 C ATOM 184 C GLN A 15 9.658 -18.728 -5.831 1.00 0.00 C ATOM 185 O GLN A 15 9.670 -17.701 -5.154 1.00 0.00 O ATOM 186 CB GLN A 15 7.330 -19.222 -5.061 1.00 0.00 C ATOM 187 CG GLN A 15 5.890 -19.459 -5.484 1.00 0.00 C ATOM 188 CD GLN A 15 4.893 -18.765 -4.576 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.023 -18.028 -5.039 1.00 0.00 O ATOM 190 NE2 GLN A 15 5.018 -18.996 -3.274 1.00 0.00 N ATOM 0 H GLN A 15 8.590 -21.414 -5.634 1.00 0.00 H new ATOM 0 HA GLN A 15 7.953 -18.944 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.578 -19.905 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.422 -18.210 -4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.753 -19.105 -6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.688 -20.530 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.754 -19.615 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.378 -18.555 -2.614 1.00 0.00 H new ATOM 199 N GLU A 16 10.767 -19.308 -6.283 1.00 0.00 N ATOM 200 CA GLU A 16 12.087 -18.754 -6.003 1.00 0.00 C ATOM 201 C GLU A 16 12.743 -18.228 -7.277 1.00 0.00 C ATOM 202 O GLU A 16 13.569 -17.316 -7.228 1.00 0.00 O ATOM 203 CB GLU A 16 12.979 -19.814 -5.355 1.00 0.00 C ATOM 204 CG GLU A 16 12.852 -19.875 -3.842 1.00 0.00 C ATOM 205 CD GLU A 16 14.190 -20.056 -3.151 1.00 0.00 C ATOM 206 OE1 GLU A 16 15.007 -20.861 -3.642 1.00 0.00 O ATOM 207 OE2 GLU A 16 14.418 -19.391 -2.118 1.00 0.00 O ATOM 0 H GLU A 16 10.777 -20.160 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 16 11.963 -17.920 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.730 -20.790 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.018 -19.611 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.383 -18.959 -3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.192 -20.699 -3.569 1.00 0.00 H new ATOM 214 N ALA A 17 12.374 -18.808 -8.415 1.00 0.00 N ATOM 215 CA ALA A 17 12.931 -18.394 -9.698 1.00 0.00 C ATOM 216 C ALA A 17 11.833 -17.955 -10.660 1.00 0.00 C ATOM 217 O ALA A 17 11.983 -16.965 -11.378 1.00 0.00 O ATOM 218 CB ALA A 17 13.747 -19.526 -10.306 1.00 0.00 C ATOM 0 H ALA A 17 11.693 -19.565 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 17 13.585 -17.540 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.158 -19.205 -11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.562 -19.790 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.107 -20.395 -10.459 1.00 0.00 H new ATOM 224 N GLU A 18 10.729 -18.696 -10.674 1.00 0.00 N ATOM 225 CA GLU A 18 9.608 -18.380 -11.551 1.00 0.00 C ATOM 226 C GLU A 18 8.744 -17.273 -10.956 1.00 0.00 C ATOM 227 O GLU A 18 8.380 -16.319 -11.643 1.00 0.00 O ATOM 228 CB GLU A 18 8.758 -19.629 -11.798 1.00 0.00 C ATOM 229 CG GLU A 18 9.230 -20.464 -12.976 1.00 0.00 C ATOM 230 CD GLU A 18 8.168 -20.619 -14.047 1.00 0.00 C ATOM 231 OE1 GLU A 18 7.416 -19.649 -14.282 1.00 0.00 O ATOM 232 OE2 GLU A 18 8.086 -21.709 -14.651 1.00 0.00 O ATOM 0 H GLU A 18 10.587 -19.519 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 18 10.012 -18.029 -12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.765 -20.247 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.725 -19.327 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.115 -20.001 -13.412 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.528 -21.450 -12.621 1.00 0.00 H new ATOM 239 N ALA A 19 8.419 -17.408 -9.674 1.00 0.00 N ATOM 240 CA ALA A 19 7.597 -16.418 -8.987 1.00 0.00 C ATOM 241 C ALA A 19 8.459 -15.443 -8.193 1.00 0.00 C ATOM 242 O ALA A 19 8.044 -14.942 -7.149 1.00 0.00 O ATOM 243 CB ALA A 19 6.597 -17.110 -8.072 1.00 0.00 C ATOM 0 H ALA A 19 8.712 -18.192 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 19 7.052 -15.848 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.989 -16.361 -7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.953 -17.761 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.132 -17.705 -7.332 1.00 0.00 H new ATOM 249 N ALA A 20 9.660 -15.178 -8.696 1.00 0.00 N ATOM 250 CA ALA A 20 10.579 -14.260 -8.034 1.00 0.00 C ATOM 251 C ALA A 20 11.481 -13.559 -9.046 1.00 0.00 C ATOM 252 O ALA A 20 12.588 -13.134 -8.712 1.00 0.00 O ATOM 253 CB ALA A 20 11.416 -15.003 -7.004 1.00 0.00 C ATOM 0 H ALA A 20 10.019 -15.586 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 20 9.988 -13.498 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.098 -14.305 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.761 -15.451 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.990 -15.786 -7.499 1.00 0.00 H new ATOM 259 N GLN A 21 11.003 -13.440 -10.280 1.00 0.00 N ATOM 260 CA GLN A 21 11.769 -12.789 -11.337 1.00 0.00 C ATOM 261 C GLN A 21 10.863 -11.938 -12.221 1.00 0.00 C ATOM 262 O GLN A 21 11.131 -10.758 -12.448 1.00 0.00 O ATOM 263 CB GLN A 21 12.498 -13.835 -12.184 1.00 0.00 C ATOM 264 CG GLN A 21 13.966 -13.991 -11.826 1.00 0.00 C ATOM 265 CD GLN A 21 14.170 -14.589 -10.447 1.00 0.00 C ATOM 266 OE1 GLN A 21 13.348 -15.373 -9.971 1.00 0.00 O ATOM 267 NE2 GLN A 21 15.270 -14.223 -9.800 1.00 0.00 N ATOM 0 H GLN A 21 10.089 -13.786 -10.573 1.00 0.00 H new ATOM 0 HA GLN A 21 12.505 -12.135 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.000 -14.797 -12.066 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.416 -13.560 -13.236 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.452 -14.625 -12.568 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.453 -13.017 -11.871 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.923 -13.571 -10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.462 -14.594 -8.870 1.00 0.00 H new ATOM 276 N ARG A 22 9.791 -12.545 -12.719 1.00 0.00 N ATOM 277 CA ARG A 22 8.847 -11.842 -13.580 1.00 0.00 C ATOM 278 C ARG A 22 8.080 -10.782 -12.794 1.00 0.00 C ATOM 279 O ARG A 22 7.698 -9.747 -13.338 1.00 0.00 O ATOM 280 CB ARG A 22 7.868 -12.831 -14.214 1.00 0.00 C ATOM 281 CG ARG A 22 8.550 -13.972 -14.953 1.00 0.00 C ATOM 282 CD ARG A 22 8.602 -13.716 -16.452 1.00 0.00 C ATOM 283 NE ARG A 22 9.936 -13.947 -17.000 1.00 0.00 N ATOM 284 CZ ARG A 22 10.260 -13.740 -18.274 1.00 0.00 C ATOM 285 NH1 ARG A 22 9.350 -13.299 -19.134 1.00 0.00 N ATOM 286 NH2 ARG A 22 11.497 -13.975 -18.690 1.00 0.00 N ATOM 0 H ARG A 22 9.554 -13.521 -12.541 1.00 0.00 H new ATOM 0 HA ARG A 22 9.413 -11.346 -14.369 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.227 -13.245 -13.436 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.221 -12.295 -14.908 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.562 -14.101 -14.570 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.015 -14.902 -14.760 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.886 -14.365 -16.956 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.299 -12.689 -16.655 1.00 0.00 H new ATOM 0 HE ARG A 22 10.662 -14.287 -16.369 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.397 -13.117 -18.819 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.604 -13.142 -20.109 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.200 -14.314 -18.034 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.745 -13.816 -19.666 1.00 0.00 H new ATOM 300 N LEU A 23 7.859 -11.049 -11.510 1.00 0.00 N ATOM 301 CA LEU A 23 7.139 -10.118 -10.649 1.00 0.00 C ATOM 302 C LEU A 23 8.032 -9.629 -9.511 1.00 0.00 C ATOM 303 O LEU A 23 7.553 -9.323 -8.420 1.00 0.00 O ATOM 304 CB LEU A 23 5.884 -10.782 -10.078 1.00 0.00 C ATOM 305 CG LEU A 23 4.843 -9.818 -9.507 1.00 0.00 C ATOM 306 CD1 LEU A 23 4.297 -8.914 -10.601 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.715 -10.588 -8.836 1.00 0.00 C ATOM 0 H LEU A 23 8.168 -11.902 -11.044 1.00 0.00 H new ATOM 0 HA LEU A 23 6.844 -9.259 -11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.416 -11.374 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.184 -11.475 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 23 5.327 -9.194 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.558 -8.235 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.112 -8.337 -11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.829 -9.522 -11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.983 -9.886 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.233 -11.237 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.120 -11.193 -8.025 1.00 0.00 H new ATOM 319 N SER A 24 9.333 -9.559 -9.776 1.00 0.00 N ATOM 320 CA SER A 24 10.293 -9.108 -8.776 1.00 0.00 C ATOM 321 C SER A 24 10.468 -7.594 -8.834 1.00 0.00 C ATOM 322 O SER A 24 10.720 -6.949 -7.816 1.00 0.00 O ATOM 323 CB SER A 24 11.643 -9.797 -8.988 1.00 0.00 C ATOM 324 OG SER A 24 12.196 -9.457 -10.247 1.00 0.00 O ATOM 0 H SER A 24 9.746 -9.809 -10.675 1.00 0.00 H new ATOM 0 HA SER A 24 9.907 -9.374 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.332 -9.507 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.518 -10.878 -8.922 1.00 0.00 H new ATOM 0 HG SER A 24 11.739 -9.962 -10.952 1.00 0.00 H new ATOM 330 N GLU A 25 10.332 -7.033 -10.031 1.00 0.00 N ATOM 331 CA GLU A 25 10.473 -5.595 -10.221 1.00 0.00 C ATOM 332 C GLU A 25 9.338 -4.842 -9.534 1.00 0.00 C ATOM 333 O GLU A 25 9.522 -3.723 -9.057 1.00 0.00 O ATOM 334 CB GLU A 25 10.499 -5.256 -11.713 1.00 0.00 C ATOM 335 CG GLU A 25 9.240 -5.678 -12.454 1.00 0.00 C ATOM 336 CD GLU A 25 9.380 -5.552 -13.958 1.00 0.00 C ATOM 337 OE1 GLU A 25 9.371 -4.409 -14.461 1.00 0.00 O ATOM 338 OE2 GLU A 25 9.498 -6.596 -14.633 1.00 0.00 O ATOM 0 H GLU A 25 10.124 -7.553 -10.884 1.00 0.00 H new ATOM 0 HA GLU A 25 11.415 -5.284 -9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.637 -4.181 -11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.361 -5.740 -12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.002 -6.711 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.403 -5.066 -12.118 1.00 0.00 H new ATOM 345 N GLU A 26 8.165 -5.465 -9.490 1.00 0.00 N ATOM 346 CA GLU A 26 7.000 -4.855 -8.861 1.00 0.00 C ATOM 347 C GLU A 26 7.051 -5.019 -7.345 1.00 0.00 C ATOM 348 O GLU A 26 6.709 -4.102 -6.599 1.00 0.00 O ATOM 349 CB GLU A 26 5.714 -5.477 -9.410 1.00 0.00 C ATOM 350 CG GLU A 26 5.161 -4.755 -10.628 1.00 0.00 C ATOM 351 CD GLU A 26 4.060 -5.536 -11.318 1.00 0.00 C ATOM 352 OE1 GLU A 26 3.057 -5.863 -10.652 1.00 0.00 O ATOM 353 OE2 GLU A 26 4.202 -5.821 -12.526 1.00 0.00 O ATOM 0 H GLU A 26 7.996 -6.391 -9.882 1.00 0.00 H new ATOM 0 HA GLU A 26 7.009 -3.790 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.906 -6.518 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.958 -5.480 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.776 -3.781 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.970 -4.572 -11.335 1.00 0.00 H new ATOM 360 N LYS A 27 7.481 -6.194 -6.898 1.00 0.00 N ATOM 361 CA LYS A 27 7.577 -6.480 -5.471 1.00 0.00 C ATOM 362 C LYS A 27 8.555 -5.528 -4.790 1.00 0.00 C ATOM 363 O LYS A 27 8.359 -5.141 -3.637 1.00 0.00 O ATOM 364 CB LYS A 27 8.018 -7.928 -5.249 1.00 0.00 C ATOM 365 CG LYS A 27 8.101 -8.320 -3.783 1.00 0.00 C ATOM 366 CD LYS A 27 8.002 -9.826 -3.603 1.00 0.00 C ATOM 367 CE LYS A 27 9.375 -10.459 -3.435 1.00 0.00 C ATOM 368 NZ LYS A 27 9.737 -10.626 -2.000 1.00 0.00 N ATOM 0 H LYS A 27 7.768 -6.963 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 27 6.591 -6.336 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.319 -8.594 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.993 -8.077 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.041 -7.963 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.299 -7.833 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.388 -10.050 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.501 -10.264 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.390 -11.431 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.124 -9.839 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.679 -11.060 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.748 -9.696 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.037 -11.238 -1.534 1.00 0.00 H new ATOM 382 N ALA A 28 9.607 -5.155 -5.509 1.00 0.00 N ATOM 383 CA ALA A 28 10.616 -4.248 -4.974 1.00 0.00 C ATOM 384 C ALA A 28 10.008 -2.892 -4.633 1.00 0.00 C ATOM 385 O ALA A 28 10.322 -2.302 -3.600 1.00 0.00 O ATOM 386 CB ALA A 28 11.755 -4.083 -5.968 1.00 0.00 C ATOM 0 H ALA A 28 9.784 -5.466 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 28 11.010 -4.682 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.501 -3.404 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.214 -5.053 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.367 -3.674 -6.901 1.00 0.00 H new ATOM 392 N GLN A 29 9.135 -2.404 -5.508 1.00 0.00 N ATOM 393 CA GLN A 29 8.483 -1.117 -5.299 1.00 0.00 C ATOM 394 C GLN A 29 7.417 -1.218 -4.215 1.00 0.00 C ATOM 395 O GLN A 29 7.288 -0.330 -3.372 1.00 0.00 O ATOM 396 CB GLN A 29 7.855 -0.621 -6.604 1.00 0.00 C ATOM 397 CG GLN A 29 8.863 -0.411 -7.722 1.00 0.00 C ATOM 398 CD GLN A 29 8.422 -1.035 -9.032 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.263 -1.417 -9.191 1.00 0.00 O ATOM 400 NE2 GLN A 29 9.348 -1.141 -9.977 1.00 0.00 N ATOM 0 H GLN A 29 8.863 -2.880 -6.368 1.00 0.00 H new ATOM 0 HA GLN A 29 9.240 -0.403 -4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.105 -1.340 -6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.335 0.318 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.020 0.658 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.822 -0.837 -7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.297 -0.811 -9.801 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.111 -1.553 -10.880 1.00 0.00 H new ATOM 409 N ALA A 30 6.654 -2.306 -4.241 1.00 0.00 N ATOM 410 CA ALA A 30 5.599 -2.524 -3.260 1.00 0.00 C ATOM 411 C ALA A 30 6.178 -2.684 -1.859 1.00 0.00 C ATOM 412 O ALA A 30 5.566 -2.273 -0.872 1.00 0.00 O ATOM 413 CB ALA A 30 4.772 -3.745 -3.635 1.00 0.00 C ATOM 0 H ALA A 30 6.747 -3.051 -4.932 1.00 0.00 H new ATOM 0 HA ALA A 30 4.951 -1.648 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.988 -3.895 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.320 -3.591 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.415 -4.624 -3.666 1.00 0.00 H new ATOM 419 N SER A 31 7.362 -3.282 -1.778 1.00 0.00 N ATOM 420 CA SER A 31 8.025 -3.494 -0.497 1.00 0.00 C ATOM 421 C SER A 31 9.141 -2.475 -0.286 1.00 0.00 C ATOM 422 O SER A 31 10.292 -2.837 -0.038 1.00 0.00 O ATOM 423 CB SER A 31 8.589 -4.915 -0.420 1.00 0.00 C ATOM 424 OG SER A 31 9.595 -5.118 -1.397 1.00 0.00 O ATOM 0 H SER A 31 7.882 -3.628 -2.584 1.00 0.00 H new ATOM 0 HA SER A 31 7.286 -3.362 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.001 -5.093 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.785 -5.637 -0.565 1.00 0.00 H new ATOM 0 HG SER A 31 9.187 -5.139 -2.288 1.00 0.00 H new ATOM 430 N ALA A 32 8.791 -1.196 -0.386 1.00 0.00 N ATOM 431 CA ALA A 32 9.761 -0.121 -0.206 1.00 0.00 C ATOM 432 C ALA A 32 9.063 1.208 0.061 1.00 0.00 C ATOM 433 O ALA A 32 9.470 1.969 0.939 1.00 0.00 O ATOM 434 CB ALA A 32 10.660 -0.011 -1.428 1.00 0.00 C ATOM 0 H ALA A 32 7.843 -0.879 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 32 10.375 -0.360 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.379 0.795 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.193 -0.950 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.053 0.201 -2.308 1.00 0.00 H new ATOM 440 N ILE A 33 8.009 1.482 -0.701 1.00 0.00 N ATOM 441 CA ILE A 33 7.254 2.720 -0.546 1.00 0.00 C ATOM 442 C ILE A 33 6.492 2.734 0.776 1.00 0.00 C ATOM 443 O ILE A 33 5.566 1.951 0.979 1.00 0.00 O ATOM 444 CB ILE A 33 6.257 2.921 -1.704 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.972 2.784 -3.051 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.579 4.278 -1.596 1.00 0.00 C ATOM 447 CD1 ILE A 33 6.043 2.449 -4.197 1.00 0.00 C ATOM 0 H ILE A 33 7.658 0.863 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 33 7.977 3.536 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 33 5.490 2.149 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.490 3.717 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.733 2.008 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.879 4.402 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.040 4.341 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.332 5.065 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.618 2.367 -5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.544 1.501 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.297 3.237 -4.303 1.00 0.00 H new ATOM 459 N SER A 34 6.891 3.631 1.673 1.00 0.00 N ATOM 460 CA SER A 34 6.246 3.747 2.975 1.00 0.00 C ATOM 461 C SER A 34 4.831 4.298 2.836 1.00 0.00 C ATOM 462 O SER A 34 4.562 5.134 1.973 1.00 0.00 O ATOM 463 CB SER A 34 7.068 4.650 3.898 1.00 0.00 C ATOM 464 OG SER A 34 7.635 5.732 3.180 1.00 0.00 O ATOM 0 H SER A 34 7.657 4.287 1.521 1.00 0.00 H new ATOM 0 HA SER A 34 6.187 2.750 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.433 5.033 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.860 4.068 4.370 1.00 0.00 H new ATOM 0 HG SER A 34 8.154 6.295 3.792 1.00 0.00 H new ATOM 470 N VAL A 35 3.930 3.823 3.688 1.00 0.00 N ATOM 471 CA VAL A 35 2.542 4.268 3.659 1.00 0.00 C ATOM 472 C VAL A 35 2.389 5.633 4.321 1.00 0.00 C ATOM 473 O VAL A 35 3.135 5.976 5.240 1.00 0.00 O ATOM 474 CB VAL A 35 1.613 3.261 4.363 1.00 0.00 C ATOM 475 CG1 VAL A 35 0.156 3.662 4.187 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.852 1.853 3.836 1.00 0.00 C ATOM 0 H VAL A 35 4.136 3.130 4.407 1.00 0.00 H new ATOM 0 HA VAL A 35 2.256 4.341 2.610 1.00 0.00 H new ATOM 0 HB VAL A 35 1.842 3.270 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.484 2.938 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.004 4.650 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.089 3.685 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.187 1.156 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.653 1.827 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.887 1.566 4.020 1.00 0.00 H new ATOM 486 N GLY A 36 1.419 6.409 3.848 1.00 0.00 N ATOM 487 CA GLY A 36 1.185 7.727 4.406 1.00 0.00 C ATOM 488 C GLY A 36 2.270 8.718 4.032 1.00 0.00 C ATOM 489 O GLY A 36 2.631 9.583 4.829 1.00 0.00 O ATOM 0 H GLY A 36 0.791 6.148 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.222 8.100 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.124 7.653 5.492 1.00 0.00 H new ATOM 493 N SER A 37 2.790 8.591 2.815 1.00 0.00 N ATOM 494 CA SER A 37 3.840 9.484 2.335 1.00 0.00 C ATOM 495 C SER A 37 3.419 10.174 1.042 1.00 0.00 C ATOM 496 O SER A 37 2.942 9.528 0.109 1.00 0.00 O ATOM 497 CB SER A 37 5.138 8.706 2.112 1.00 0.00 C ATOM 498 OG SER A 37 5.722 8.322 3.346 1.00 0.00 O ATOM 0 H SER A 37 2.502 7.879 2.144 1.00 0.00 H new ATOM 0 HA SER A 37 4.008 10.247 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.936 7.820 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.841 9.320 1.549 1.00 0.00 H new ATOM 0 HG SER A 37 6.296 7.540 3.207 1.00 0.00 H new ATOM 504 N ARG A 38 3.599 11.490 0.993 1.00 0.00 N ATOM 505 CA ARG A 38 3.236 12.266 -0.186 1.00 0.00 C ATOM 506 C ARG A 38 4.056 11.831 -1.397 1.00 0.00 C ATOM 507 O ARG A 38 5.286 11.894 -1.381 1.00 0.00 O ATOM 508 CB ARG A 38 3.446 13.759 0.075 1.00 0.00 C ATOM 509 CG ARG A 38 2.867 14.231 1.400 1.00 0.00 C ATOM 510 CD ARG A 38 1.635 15.099 1.197 1.00 0.00 C ATOM 511 NE ARG A 38 0.527 14.684 2.056 1.00 0.00 N ATOM 512 CZ ARG A 38 -0.515 15.458 2.347 1.00 0.00 C ATOM 513 NH1 ARG A 38 -0.599 16.686 1.851 1.00 0.00 N ATOM 514 NH2 ARG A 38 -1.478 15.002 3.136 1.00 0.00 N ATOM 0 H ARG A 38 3.994 12.040 1.756 1.00 0.00 H new ATOM 0 HA ARG A 38 2.182 12.086 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.514 13.976 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.991 14.329 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.607 13.367 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.623 14.794 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.886 16.139 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.324 15.049 0.154 1.00 0.00 H new ATOM 0 HE ARG A 38 0.555 13.746 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.138 17.042 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.401 17.274 2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.419 14.059 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.277 15.595 3.360 1.00 0.00 H new ATOM 528 N CYS A 39 3.368 11.389 -2.444 1.00 0.00 N ATOM 529 CA CYS A 39 4.032 10.943 -3.662 1.00 0.00 C ATOM 530 C CYS A 39 3.227 11.339 -4.896 1.00 0.00 C ATOM 531 O CYS A 39 2.023 11.582 -4.813 1.00 0.00 O ATOM 532 CB CYS A 39 4.231 9.427 -3.634 1.00 0.00 C ATOM 533 SG CYS A 39 4.898 8.800 -2.075 1.00 0.00 S ATOM 0 H CYS A 39 2.350 11.330 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 39 5.006 11.429 -3.714 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.275 8.942 -3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.903 9.144 -4.444 1.00 0.00 H new ATOM 0 HG CYS A 39 4.020 8.963 -1.131 1.00 0.00 H new ATOM 539 N GLU A 40 3.902 11.403 -6.040 1.00 0.00 N ATOM 540 CA GLU A 40 3.250 11.768 -7.292 1.00 0.00 C ATOM 541 C GLU A 40 2.676 10.538 -7.986 1.00 0.00 C ATOM 542 O GLU A 40 3.044 9.407 -7.670 1.00 0.00 O ATOM 543 CB GLU A 40 4.242 12.476 -8.219 1.00 0.00 C ATOM 544 CG GLU A 40 4.271 13.984 -8.040 1.00 0.00 C ATOM 545 CD GLU A 40 5.591 14.480 -7.480 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.204 13.751 -6.673 1.00 0.00 O ATOM 547 OE2 GLU A 40 6.010 15.598 -7.848 1.00 0.00 O ATOM 0 H GLU A 40 4.899 11.207 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 40 2.429 12.447 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.241 12.078 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.987 12.246 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.085 14.464 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.462 14.283 -7.373 1.00 0.00 H new ATOM 554 N VAL A 41 1.773 10.767 -8.934 1.00 0.00 N ATOM 555 CA VAL A 41 1.149 9.676 -9.673 1.00 0.00 C ATOM 556 C VAL A 41 0.903 10.066 -11.126 1.00 0.00 C ATOM 557 O VAL A 41 0.571 11.213 -11.424 1.00 0.00 O ATOM 558 CB VAL A 41 -0.188 9.254 -9.034 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.714 7.985 -9.685 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.026 9.065 -7.533 1.00 0.00 C ATOM 0 H VAL A 41 1.457 11.697 -9.208 1.00 0.00 H new ATOM 0 HA VAL A 41 1.841 8.835 -9.637 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.916 10.048 -9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.659 7.703 -9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.871 8.160 -10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.010 7.181 -9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.980 8.767 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.717 8.291 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.301 10.002 -7.082 1.00 0.00 H new ATOM 570 N ARG A 42 1.070 9.104 -12.029 1.00 0.00 N ATOM 571 CA ARG A 42 0.867 9.347 -13.452 1.00 0.00 C ATOM 572 C ARG A 42 -0.002 8.258 -14.072 1.00 0.00 C ATOM 573 O ARG A 42 0.402 7.098 -14.153 1.00 0.00 O ATOM 574 CB ARG A 42 2.215 9.416 -14.174 1.00 0.00 C ATOM 575 CG ARG A 42 2.325 10.582 -15.146 1.00 0.00 C ATOM 576 CD ARG A 42 2.171 10.126 -16.588 1.00 0.00 C ATOM 577 NE ARG A 42 3.118 10.795 -17.477 1.00 0.00 N ATOM 578 CZ ARG A 42 4.402 10.460 -17.581 1.00 0.00 C ATOM 579 NH1 ARG A 42 4.895 9.463 -16.856 1.00 0.00 N ATOM 580 NH2 ARG A 42 5.195 11.122 -18.412 1.00 0.00 N ATOM 0 H ARG A 42 1.345 8.149 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 42 0.353 10.302 -13.564 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.011 9.494 -13.434 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.375 8.485 -14.717 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.560 11.323 -14.914 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.291 11.071 -15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.320 9.048 -16.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.154 10.326 -16.925 1.00 0.00 H new ATOM 0 HE ARG A 42 2.775 11.564 -18.052 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.289 8.950 -16.216 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.880 9.210 -16.939 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.821 11.888 -18.972 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.179 10.865 -18.491 1.00 0.00 H new ATOM 594 N ALA A 43 -1.198 8.639 -14.509 1.00 0.00 N ATOM 595 CA ALA A 43 -2.125 7.695 -15.122 1.00 0.00 C ATOM 596 C ALA A 43 -2.670 8.238 -16.440 1.00 0.00 C ATOM 597 O ALA A 43 -2.860 9.445 -16.591 1.00 0.00 O ATOM 598 CB ALA A 43 -3.266 7.379 -14.166 1.00 0.00 C ATOM 0 H ALA A 43 -1.548 9.595 -14.450 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.580 6.775 -15.336 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.950 6.673 -14.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.864 6.941 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.802 8.297 -13.923 1.00 0.00 H new ATOM 604 N PRO A 44 -2.931 7.350 -17.416 1.00 0.00 N ATOM 605 CA PRO A 44 -3.456 7.750 -18.724 1.00 0.00 C ATOM 606 C PRO A 44 -4.930 8.137 -18.662 1.00 0.00 C ATOM 607 O PRO A 44 -5.776 7.514 -19.304 1.00 0.00 O ATOM 608 CB PRO A 44 -3.268 6.493 -19.575 1.00 0.00 C ATOM 609 CG PRO A 44 -3.332 5.369 -18.601 1.00 0.00 C ATOM 610 CD PRO A 44 -2.733 5.890 -17.322 1.00 0.00 C ATOM 0 HA PRO A 44 -2.948 8.630 -19.119 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.047 6.406 -20.332 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.313 6.509 -20.100 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.361 5.046 -18.446 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.778 4.504 -18.967 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.231 5.473 -16.447 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.677 5.633 -17.240 1.00 0.00 H new ATOM 618 N ASP A 45 -5.233 9.171 -17.882 1.00 0.00 N ATOM 619 CA ASP A 45 -6.605 9.642 -17.735 1.00 0.00 C ATOM 620 C ASP A 45 -6.687 11.152 -17.930 1.00 0.00 C ATOM 621 O ASP A 45 -7.506 11.644 -18.708 1.00 0.00 O ATOM 622 CB ASP A 45 -7.150 9.262 -16.358 1.00 0.00 C ATOM 623 CG ASP A 45 -8.600 8.824 -16.410 1.00 0.00 C ATOM 624 OD1 ASP A 45 -9.488 9.700 -16.350 1.00 0.00 O ATOM 625 OD2 ASP A 45 -8.848 7.605 -16.512 1.00 0.00 O ATOM 0 H ASP A 45 -4.546 9.698 -17.342 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.212 9.163 -18.503 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.545 8.457 -15.941 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.055 10.114 -15.685 1.00 0.00 H new ATOM 630 N HIS A 46 -5.835 11.884 -17.220 1.00 0.00 N ATOM 631 CA HIS A 46 -5.813 13.338 -17.315 1.00 0.00 C ATOM 632 C HIS A 46 -4.380 13.863 -17.299 1.00 0.00 C ATOM 633 O HIS A 46 -3.883 14.371 -18.304 1.00 0.00 O ATOM 634 CB HIS A 46 -6.611 13.956 -16.165 1.00 0.00 C ATOM 635 CG HIS A 46 -7.617 14.972 -16.612 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.951 14.678 -16.796 1.00 0.00 N ATOM 637 CD2 HIS A 46 -7.477 16.284 -16.913 1.00 0.00 C ATOM 638 CE1 HIS A 46 -9.589 15.766 -17.191 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.718 16.754 -17.268 1.00 0.00 N ATOM 0 H HIS A 46 -5.151 11.493 -16.572 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.273 13.624 -18.261 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.125 13.162 -15.623 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.920 14.425 -15.465 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.561 16.855 -16.880 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.644 15.835 -17.413 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.932 17.712 -17.546 1.00 0.00 H new ATOM 648 N SER A 47 -3.724 13.740 -16.149 1.00 0.00 N ATOM 649 CA SER A 47 -2.348 14.201 -16.002 1.00 0.00 C ATOM 650 C SER A 47 -1.788 13.816 -14.637 1.00 0.00 C ATOM 651 O SER A 47 -2.407 13.054 -13.894 1.00 0.00 O ATOM 652 CB SER A 47 -2.275 15.718 -16.186 1.00 0.00 C ATOM 653 OG SER A 47 -2.721 16.395 -15.024 1.00 0.00 O ATOM 0 H SER A 47 -4.123 13.326 -15.307 1.00 0.00 H new ATOM 0 HA SER A 47 -1.745 13.718 -16.771 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.249 16.011 -16.410 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.885 16.014 -17.040 1.00 0.00 H new ATOM 0 HG SER A 47 -2.663 17.363 -15.167 1.00 0.00 H new ATOM 659 N LEU A 48 -0.614 14.348 -14.313 1.00 0.00 N ATOM 660 CA LEU A 48 0.030 14.059 -13.036 1.00 0.00 C ATOM 661 C LEU A 48 -0.683 14.775 -11.894 1.00 0.00 C ATOM 662 O LEU A 48 -1.258 15.848 -12.081 1.00 0.00 O ATOM 663 CB LEU A 48 1.503 14.472 -13.079 1.00 0.00 C ATOM 664 CG LEU A 48 2.501 13.324 -12.920 1.00 0.00 C ATOM 665 CD1 LEU A 48 3.760 13.595 -13.729 1.00 0.00 C ATOM 666 CD2 LEU A 48 2.844 13.117 -11.452 1.00 0.00 C ATOM 0 H LEU A 48 -0.089 14.981 -14.916 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.031 12.985 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.697 14.973 -14.027 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.683 15.202 -12.290 1.00 0.00 H new ATOM 0 HG LEU A 48 2.040 12.412 -13.298 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.458 12.768 -13.603 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.501 13.694 -14.783 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.225 14.518 -13.381 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.555 12.296 -11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.286 14.029 -11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.937 12.877 -10.897 1.00 0.00 H new ATOM 678 N ARG A 49 -0.641 14.175 -10.709 1.00 0.00 N ATOM 679 CA ARG A 49 -1.283 14.756 -9.534 1.00 0.00 C ATOM 680 C ARG A 49 -0.487 14.443 -8.270 1.00 0.00 C ATOM 681 O ARG A 49 0.490 13.695 -8.310 1.00 0.00 O ATOM 682 CB ARG A 49 -2.712 14.229 -9.394 1.00 0.00 C ATOM 683 CG ARG A 49 -3.565 14.448 -10.632 1.00 0.00 C ATOM 684 CD ARG A 49 -5.042 14.244 -10.335 1.00 0.00 C ATOM 685 NE ARG A 49 -5.473 14.999 -9.161 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.740 16.303 -9.175 1.00 0.00 C ATOM 687 NH1 ARG A 49 -5.619 17.000 -10.298 1.00 0.00 N ATOM 688 NH2 ARG A 49 -6.128 16.912 -8.062 1.00 0.00 N ATOM 0 H ARG A 49 -0.170 13.287 -10.536 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.314 15.838 -9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.677 13.163 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.189 14.717 -8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.405 15.457 -11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.252 13.759 -11.417 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.631 14.550 -11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.237 13.183 -10.176 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.575 14.497 -8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.320 16.537 -11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.825 17.999 -10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.222 16.381 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.333 17.911 -8.072 1.00 0.00 H new ATOM 702 N ARG A 50 -0.913 15.019 -7.151 1.00 0.00 N ATOM 703 CA ARG A 50 -0.241 14.801 -5.875 1.00 0.00 C ATOM 704 C ARG A 50 -1.167 14.103 -4.886 1.00 0.00 C ATOM 705 O ARG A 50 -2.333 14.472 -4.744 1.00 0.00 O ATOM 706 CB ARG A 50 0.237 16.133 -5.293 1.00 0.00 C ATOM 707 CG ARG A 50 1.639 16.521 -5.731 1.00 0.00 C ATOM 708 CD ARG A 50 2.697 15.868 -4.855 1.00 0.00 C ATOM 709 NE ARG A 50 3.916 16.669 -4.782 1.00 0.00 N ATOM 710 CZ ARG A 50 3.996 17.845 -4.163 1.00 0.00 C ATOM 711 NH1 ARG A 50 2.930 18.360 -3.563 1.00 0.00 N ATOM 712 NH2 ARG A 50 5.144 18.508 -4.144 1.00 0.00 N ATOM 0 H ARG A 50 -1.720 15.640 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 50 0.622 14.159 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.458 16.919 -5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.208 16.075 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.792 16.226 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.748 17.605 -5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.298 15.723 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.935 14.880 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 50 4.756 16.306 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.044 17.854 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.997 19.261 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.966 18.117 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.205 19.409 -3.670 1.00 0.00 H new ATOM 726 N GLY A 51 -0.641 13.092 -4.203 1.00 0.00 N ATOM 727 CA GLY A 51 -1.435 12.357 -3.235 1.00 0.00 C ATOM 728 C GLY A 51 -0.588 11.724 -2.149 1.00 0.00 C ATOM 729 O GLY A 51 0.566 12.107 -1.950 1.00 0.00 O ATOM 0 H GLY A 51 0.321 12.768 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.161 13.031 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.001 11.580 -3.749 1.00 0.00 H new ATOM 733 N THR A 52 -1.160 10.754 -1.445 1.00 0.00 N ATOM 734 CA THR A 52 -0.450 10.066 -0.372 1.00 0.00 C ATOM 735 C THR A 52 -0.737 8.568 -0.405 1.00 0.00 C ATOM 736 O THR A 52 -1.802 8.140 -0.849 1.00 0.00 O ATOM 737 CB THR A 52 -0.851 10.644 0.985 1.00 0.00 C ATOM 738 OG1 THR A 52 -0.904 12.058 0.932 1.00 0.00 O ATOM 739 CG2 THR A 52 0.098 10.263 2.102 1.00 0.00 C ATOM 0 H THR A 52 -2.114 10.426 -1.598 1.00 0.00 H new ATOM 0 HA THR A 52 0.619 10.217 -0.521 1.00 0.00 H new ATOM 0 HB THR A 52 -1.831 10.219 1.201 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.164 12.409 1.809 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.245 10.706 3.037 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.125 9.178 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.098 10.631 1.871 1.00 0.00 H new ATOM 747 N VAL A 53 0.219 7.777 0.069 1.00 0.00 N ATOM 748 CA VAL A 53 0.067 6.327 0.095 1.00 0.00 C ATOM 749 C VAL A 53 -0.860 5.892 1.225 1.00 0.00 C ATOM 750 O VAL A 53 -0.705 6.321 2.369 1.00 0.00 O ATOM 751 CB VAL A 53 1.425 5.621 0.263 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.272 4.118 0.089 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.443 6.179 -0.721 1.00 0.00 C ATOM 0 H VAL A 53 1.107 8.115 0.440 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.368 6.039 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 53 1.789 5.810 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.242 3.637 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.579 3.734 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.884 3.905 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.396 5.668 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.088 6.023 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.575 7.246 -0.542 1.00 0.00 H new ATOM 763 N MET A 54 -1.824 5.038 0.898 1.00 0.00 N ATOM 764 CA MET A 54 -2.776 4.545 1.886 1.00 0.00 C ATOM 765 C MET A 54 -2.688 3.028 2.016 1.00 0.00 C ATOM 766 O MET A 54 -2.736 2.487 3.121 1.00 0.00 O ATOM 767 CB MET A 54 -4.199 4.955 1.500 1.00 0.00 C ATOM 768 CG MET A 54 -4.353 6.444 1.242 1.00 0.00 C ATOM 769 SD MET A 54 -6.001 6.880 0.654 1.00 0.00 S ATOM 770 CE MET A 54 -5.973 6.168 -0.989 1.00 0.00 C ATOM 0 H MET A 54 -1.967 4.673 -0.044 1.00 0.00 H new ATOM 0 HA MET A 54 -2.526 4.988 2.850 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.496 4.407 0.606 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.882 4.660 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.143 6.992 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.614 6.760 0.506 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.913 6.386 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.147 6.596 -1.557 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.842 5.088 -0.916 1.00 0.00 H new ATOM 780 N TYR A 55 -2.558 2.347 0.882 1.00 0.00 N ATOM 781 CA TYR A 55 -2.462 0.892 0.871 1.00 0.00 C ATOM 782 C TYR A 55 -1.382 0.426 -0.102 1.00 0.00 C ATOM 783 O TYR A 55 -1.195 1.015 -1.166 1.00 0.00 O ATOM 784 CB TYR A 55 -3.809 0.272 0.493 1.00 0.00 C ATOM 785 CG TYR A 55 -3.982 -1.146 0.990 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.235 -2.187 0.450 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.889 -1.443 1.998 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.388 -3.483 0.902 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.048 -2.738 2.456 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.295 -3.754 1.904 1.00 0.00 C ATOM 791 OH TYR A 55 -4.450 -5.044 2.358 1.00 0.00 O ATOM 0 H TYR A 55 -2.517 2.779 -0.041 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.189 0.563 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.611 0.890 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.913 0.283 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.524 -1.979 -0.336 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.480 -0.650 2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.800 -4.280 0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.758 -2.953 3.241 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.127 -5.062 3.066 1.00 0.00 H new ATOM 801 N VAL A 56 -0.675 -0.636 0.272 1.00 0.00 N ATOM 802 CA VAL A 56 0.386 -1.181 -0.566 1.00 0.00 C ATOM 803 C VAL A 56 0.445 -2.700 -0.458 1.00 0.00 C ATOM 804 O VAL A 56 0.741 -3.246 0.604 1.00 0.00 O ATOM 805 CB VAL A 56 1.760 -0.598 -0.183 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.820 -1.024 -1.185 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.687 0.918 -0.083 1.00 0.00 C ATOM 0 H VAL A 56 -0.818 -1.136 1.150 1.00 0.00 H new ATOM 0 HA VAL A 56 0.153 -0.900 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 56 2.041 -0.990 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.783 -0.602 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.890 -2.112 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.548 -0.664 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.666 1.312 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.383 1.332 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.959 1.198 0.679 1.00 0.00 H new ATOM 817 N GLY A 57 0.160 -3.379 -1.565 1.00 0.00 N ATOM 818 CA GLY A 57 0.186 -4.830 -1.572 1.00 0.00 C ATOM 819 C GLY A 57 -0.517 -5.419 -2.779 1.00 0.00 C ATOM 820 O GLY A 57 -0.436 -4.873 -3.880 1.00 0.00 O ATOM 0 H GLY A 57 -0.088 -2.950 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.221 -5.171 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.286 -5.203 -0.663 1.00 0.00 H new ATOM 824 N LEU A 58 -1.208 -6.534 -2.572 1.00 0.00 N ATOM 825 CA LEU A 58 -1.929 -7.198 -3.651 1.00 0.00 C ATOM 826 C LEU A 58 -3.414 -6.851 -3.606 1.00 0.00 C ATOM 827 O LEU A 58 -3.860 -6.102 -2.737 1.00 0.00 O ATOM 828 CB LEU A 58 -1.743 -8.714 -3.558 1.00 0.00 C ATOM 829 CG LEU A 58 -0.349 -9.219 -3.937 1.00 0.00 C ATOM 830 CD1 LEU A 58 0.035 -10.419 -3.086 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.294 -9.571 -5.416 1.00 0.00 C ATOM 0 H LEU A 58 -1.284 -6.997 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.521 -6.847 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.963 -9.030 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.476 -9.195 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 58 0.369 -8.422 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.029 -10.764 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.037 -10.133 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.686 -11.222 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.704 -9.928 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.024 -10.351 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.523 -8.686 -6.009 1.00 0.00 H new ATOM 843 N THR A 59 -4.174 -7.400 -4.548 1.00 0.00 N ATOM 844 CA THR A 59 -5.608 -7.145 -4.614 1.00 0.00 C ATOM 845 C THR A 59 -6.360 -8.380 -5.100 1.00 0.00 C ATOM 846 O THR A 59 -5.763 -9.431 -5.334 1.00 0.00 O ATOM 847 CB THR A 59 -5.895 -5.964 -5.541 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.444 -6.237 -6.856 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.242 -4.677 -5.089 1.00 0.00 C ATOM 0 H THR A 59 -3.822 -8.023 -5.275 1.00 0.00 H new ATOM 0 HA THR A 59 -5.954 -6.903 -3.609 1.00 0.00 H new ATOM 0 HB THR A 59 -6.977 -5.832 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.746 -5.595 -7.102 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.486 -3.879 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.608 -4.412 -4.097 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.161 -4.811 -5.053 1.00 0.00 H new ATOM 857 N ASP A 60 -7.674 -8.247 -5.248 1.00 0.00 N ATOM 858 CA ASP A 60 -8.507 -9.354 -5.706 1.00 0.00 C ATOM 859 C ASP A 60 -9.251 -8.997 -6.994 1.00 0.00 C ATOM 860 O ASP A 60 -10.180 -9.698 -7.395 1.00 0.00 O ATOM 861 CB ASP A 60 -9.510 -9.745 -4.618 1.00 0.00 C ATOM 862 CG ASP A 60 -8.999 -10.872 -3.741 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.626 -11.930 -4.290 1.00 0.00 O ATOM 864 OD2 ASP A 60 -8.972 -10.695 -2.505 1.00 0.00 O ATOM 0 H ASP A 60 -8.185 -7.385 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.852 -10.199 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.727 -8.875 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.448 -10.047 -5.084 1.00 0.00 H new ATOM 869 N PHE A 61 -8.838 -7.908 -7.640 1.00 0.00 N ATOM 870 CA PHE A 61 -9.470 -7.473 -8.881 1.00 0.00 C ATOM 871 C PHE A 61 -8.475 -7.494 -10.037 1.00 0.00 C ATOM 872 O PHE A 61 -8.830 -7.821 -11.169 1.00 0.00 O ATOM 873 CB PHE A 61 -10.059 -6.070 -8.719 1.00 0.00 C ATOM 874 CG PHE A 61 -9.064 -5.048 -8.246 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.209 -4.427 -9.143 1.00 0.00 C ATOM 876 CD2 PHE A 61 -8.986 -4.706 -6.907 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.296 -3.484 -8.713 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.074 -3.764 -6.469 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.229 -3.153 -7.373 1.00 0.00 C ATOM 0 H PHE A 61 -8.071 -7.314 -7.325 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.277 -8.170 -9.110 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.472 -5.747 -9.674 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -10.887 -6.113 -8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.257 -4.684 -10.191 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.646 -5.181 -6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.636 -3.007 -9.422 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.023 -3.507 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.516 -2.417 -7.033 1.00 0.00 H new ATOM 889 N LYS A 62 -7.226 -7.142 -9.745 1.00 0.00 N ATOM 890 CA LYS A 62 -6.182 -7.124 -10.762 1.00 0.00 C ATOM 891 C LYS A 62 -4.907 -7.788 -10.245 1.00 0.00 C ATOM 892 O LYS A 62 -4.616 -7.748 -9.050 1.00 0.00 O ATOM 893 CB LYS A 62 -5.886 -5.685 -11.193 1.00 0.00 C ATOM 894 CG LYS A 62 -6.687 -5.239 -12.406 1.00 0.00 C ATOM 895 CD LYS A 62 -7.025 -3.758 -12.336 1.00 0.00 C ATOM 896 CE LYS A 62 -8.303 -3.444 -13.098 1.00 0.00 C ATOM 897 NZ LYS A 62 -9.100 -2.378 -12.429 1.00 0.00 N ATOM 0 H LYS A 62 -6.914 -6.866 -8.814 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.538 -7.687 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.098 -5.014 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.823 -5.592 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.118 -5.441 -13.314 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.607 -5.821 -12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.138 -3.458 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.201 -3.175 -12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.054 -3.129 -14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.906 -4.348 -13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.963 -2.193 -12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.360 -2.688 -11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.534 -1.507 -12.369 1.00 0.00 H new ATOM 911 N PRO A 63 -4.126 -8.412 -11.145 1.00 0.00 N ATOM 912 CA PRO A 63 -2.879 -9.088 -10.775 1.00 0.00 C ATOM 913 C PRO A 63 -1.785 -8.106 -10.369 1.00 0.00 C ATOM 914 O PRO A 63 -1.907 -6.900 -10.585 1.00 0.00 O ATOM 915 CB PRO A 63 -2.482 -9.829 -12.053 1.00 0.00 C ATOM 916 CG PRO A 63 -3.115 -9.051 -13.154 1.00 0.00 C ATOM 917 CD PRO A 63 -4.400 -8.509 -12.591 1.00 0.00 C ATOM 0 HA PRO A 63 -3.012 -9.740 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.399 -9.868 -12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.838 -10.859 -12.040 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.463 -8.243 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.305 -9.684 -14.021 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.648 -7.538 -13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.240 -9.172 -12.797 1.00 0.00 H new ATOM 925 N GLY A 64 -0.716 -8.631 -9.778 1.00 0.00 N ATOM 926 CA GLY A 64 0.386 -7.787 -9.351 1.00 0.00 C ATOM 927 C GLY A 64 0.034 -6.938 -8.146 1.00 0.00 C ATOM 928 O GLY A 64 -1.091 -6.991 -7.648 1.00 0.00 O ATOM 0 H GLY A 64 -0.593 -9.625 -9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.247 -8.412 -9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.682 -7.138 -10.175 1.00 0.00 H new ATOM 932 N TYR A 65 0.997 -6.151 -7.679 1.00 0.00 N ATOM 933 CA TYR A 65 0.786 -5.286 -6.524 1.00 0.00 C ATOM 934 C TYR A 65 0.062 -4.006 -6.929 1.00 0.00 C ATOM 935 O TYR A 65 -0.028 -3.680 -8.113 1.00 0.00 O ATOM 936 CB TYR A 65 2.123 -4.942 -5.866 1.00 0.00 C ATOM 937 CG TYR A 65 2.847 -6.141 -5.296 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.548 -6.618 -4.026 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.830 -6.795 -6.027 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.209 -7.712 -3.501 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.495 -7.890 -5.509 1.00 0.00 C ATOM 942 CZ TYR A 65 4.181 -8.344 -4.245 1.00 0.00 C ATOM 943 OH TYR A 65 4.841 -9.434 -3.725 1.00 0.00 O ATOM 0 H TYR A 65 1.932 -6.094 -8.083 1.00 0.00 H new ATOM 0 HA TYR A 65 0.165 -5.824 -5.808 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.765 -4.457 -6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.950 -4.220 -5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.786 -6.126 -3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.079 -6.442 -7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.965 -8.070 -2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.257 -8.388 -6.091 1.00 0.00 H new ATOM 0 HH TYR A 65 5.312 -9.905 -4.444 1.00 0.00 H new ATOM 953 N TRP A 66 -0.450 -3.284 -5.938 1.00 0.00 N ATOM 954 CA TRP A 66 -1.165 -2.037 -6.189 1.00 0.00 C ATOM 955 C TRP A 66 -0.911 -1.033 -5.070 1.00 0.00 C ATOM 956 O TRP A 66 -0.528 -1.407 -3.962 1.00 0.00 O ATOM 957 CB TRP A 66 -2.666 -2.303 -6.322 1.00 0.00 C ATOM 958 CG TRP A 66 -3.046 -2.946 -7.621 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.173 -4.282 -7.867 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.349 -2.280 -8.852 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.536 -4.488 -9.177 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.651 -3.274 -9.801 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.396 -0.939 -9.243 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -3.995 -2.969 -11.116 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -3.737 -0.637 -10.549 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.033 -1.649 -11.472 1.00 0.00 C ATOM 0 H TRP A 66 -0.383 -3.541 -4.953 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.795 -1.615 -7.123 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.988 -2.944 -5.501 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.204 -1.361 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.012 -5.063 -7.139 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.694 -5.396 -9.613 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.170 -0.153 -8.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.224 -3.747 -11.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.776 0.396 -10.863 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.296 -1.381 -12.485 1.00 0.00 H new ATOM 977 N VAL A 67 -1.129 0.244 -5.366 1.00 0.00 N ATOM 978 CA VAL A 67 -0.925 1.302 -4.384 1.00 0.00 C ATOM 979 C VAL A 67 -2.016 2.362 -4.484 1.00 0.00 C ATOM 980 O VAL A 67 -2.106 3.083 -5.478 1.00 0.00 O ATOM 981 CB VAL A 67 0.449 1.977 -4.559 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.723 2.936 -3.411 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.548 0.931 -4.664 1.00 0.00 C ATOM 0 H VAL A 67 -1.447 0.571 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.967 0.832 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 67 0.436 2.551 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.698 3.403 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.048 3.706 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.716 2.387 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.511 1.426 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.564 0.327 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.358 0.289 -5.524 1.00 0.00 H new ATOM 993 N GLY A 68 -2.845 2.450 -3.449 1.00 0.00 N ATOM 994 CA GLY A 68 -3.920 3.423 -3.440 1.00 0.00 C ATOM 995 C GLY A 68 -3.446 4.810 -3.051 1.00 0.00 C ATOM 996 O GLY A 68 -2.746 4.977 -2.051 1.00 0.00 O ATOM 0 H GLY A 68 -2.791 1.864 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.377 3.463 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.693 3.098 -2.744 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.828 5.808 -3.842 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.438 7.186 -3.576 1.00 0.00 C ATOM 1002 C VAL A 69 -4.641 8.121 -3.653 1.00 0.00 C ATOM 1003 O VAL A 69 -5.372 8.126 -4.644 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.363 7.670 -4.567 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.826 9.030 -4.153 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.237 6.652 -4.671 1.00 0.00 C ATOM 0 H VAL A 69 -4.408 5.687 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.026 7.208 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.822 7.773 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.068 9.354 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.641 9.753 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.383 8.959 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.486 7.010 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.779 6.515 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.638 5.701 -5.021 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.839 8.911 -2.603 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.954 9.852 -2.554 1.00 0.00 C ATOM 1018 C ARG A 70 -5.505 11.249 -2.971 1.00 0.00 C ATOM 1019 O ARG A 70 -4.403 11.682 -2.637 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.551 9.893 -1.147 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.744 10.825 -1.020 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.773 11.513 0.336 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.913 12.694 0.369 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.763 13.472 1.438 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -7.413 13.199 2.563 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.962 14.527 1.382 1.00 0.00 N ATOM 0 H ARG A 70 -4.243 8.919 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.717 9.512 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.855 8.886 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.780 10.205 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.706 11.576 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.665 10.260 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.796 11.803 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.454 10.810 1.106 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.397 12.936 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.031 12.389 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.294 13.799 3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.461 14.742 0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.847 15.124 2.201 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.366 11.947 -3.704 1.00 0.00 N ATOM 1041 CA TYR A 71 -6.058 13.296 -4.167 1.00 0.00 C ATOM 1042 C TYR A 71 -6.871 14.335 -3.401 1.00 0.00 C ATOM 1043 O TYR A 71 -7.782 13.993 -2.648 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.337 13.418 -5.666 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.800 12.262 -6.479 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.448 11.942 -6.456 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.644 11.492 -7.269 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.952 10.886 -7.197 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.155 10.435 -8.013 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.810 10.136 -7.974 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.320 9.084 -8.713 1.00 0.00 O ATOM 0 H TYR A 71 -7.282 11.602 -3.990 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.000 13.483 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.413 13.491 -5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.898 14.345 -6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.774 12.528 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.699 11.723 -7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.899 10.649 -7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.824 9.846 -8.623 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.540 8.701 -8.260 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.533 15.604 -3.599 1.00 0.00 N ATOM 1062 CA ASP A 72 -7.231 16.695 -2.927 1.00 0.00 C ATOM 1063 C ASP A 72 -8.545 17.016 -3.632 1.00 0.00 C ATOM 1064 O ASP A 72 -9.587 17.153 -2.991 1.00 0.00 O ATOM 1065 CB ASP A 72 -6.346 17.942 -2.879 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.406 17.937 -1.690 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -5.896 17.849 -0.545 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -4.178 18.022 -1.905 1.00 0.00 O ATOM 0 H ASP A 72 -5.780 15.903 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.454 16.378 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.764 18.007 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.976 18.830 -2.837 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.487 17.134 -4.955 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.673 17.439 -5.746 1.00 0.00 C ATOM 1075 C GLU A 73 -10.371 16.158 -6.196 1.00 0.00 C ATOM 1076 O GLU A 73 -9.742 15.107 -6.319 1.00 0.00 O ATOM 1077 CB GLU A 73 -9.294 18.282 -6.966 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.282 19.776 -6.691 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.788 20.583 -7.876 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -9.200 20.278 -9.015 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -7.988 21.519 -7.665 1.00 0.00 O ATOM 0 H GLU A 73 -7.632 17.023 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.362 18.006 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.308 17.977 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.997 18.075 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.289 20.102 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.647 19.978 -5.828 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.690 16.229 -6.450 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.472 15.069 -6.888 1.00 0.00 C ATOM 1090 C PRO A 74 -12.137 14.650 -8.316 1.00 0.00 C ATOM 1091 O PRO A 74 -12.979 14.727 -9.211 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.918 15.561 -6.798 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.825 17.039 -6.960 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.520 17.443 -6.331 1.00 0.00 C ATOM 0 HA PRO A 74 -12.270 14.187 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.537 15.115 -7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.368 15.295 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.854 17.319 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.663 17.538 -6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.070 18.290 -6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.651 17.739 -5.290 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.901 14.207 -8.522 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.452 13.775 -9.841 1.00 0.00 C ATOM 1104 C LEU A 75 -9.913 12.350 -9.791 1.00 0.00 C ATOM 1105 O LEU A 75 -8.984 12.000 -10.521 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.374 14.722 -10.373 1.00 0.00 C ATOM 1107 CG LEU A 75 -9.888 16.075 -10.868 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -8.729 17.026 -11.117 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -10.716 15.897 -12.132 1.00 0.00 C ATOM 0 H LEU A 75 -10.192 14.138 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.309 13.798 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.642 14.895 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.850 14.228 -11.191 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.525 16.507 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.113 17.984 -11.469 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.175 17.175 -10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.066 16.602 -11.871 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.075 16.869 -12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.100 15.445 -12.910 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.567 15.250 -11.921 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.499 11.530 -8.926 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.062 10.152 -8.795 1.00 0.00 C ATOM 1123 C GLY A 76 -10.810 9.215 -9.724 1.00 0.00 C ATOM 1124 O GLY A 76 -11.183 9.596 -10.834 1.00 0.00 O ATOM 0 H GLY A 76 -11.270 11.795 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.994 10.091 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.203 9.826 -7.765 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.029 7.986 -9.268 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.736 6.989 -10.064 1.00 0.00 C ATOM 1130 C LYS A 77 -12.448 5.983 -9.167 1.00 0.00 C ATOM 1131 O LYS A 77 -13.643 5.730 -9.327 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.760 6.263 -10.992 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.440 7.032 -12.263 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.677 7.218 -13.127 1.00 0.00 C ATOM 1135 CE LYS A 77 -11.351 7.068 -14.605 1.00 0.00 C ATOM 1136 NZ LYS A 77 -12.402 7.672 -15.469 1.00 0.00 N ATOM 0 H LYS A 77 -10.727 7.656 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.484 7.504 -10.666 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.833 6.070 -10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.180 5.294 -11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.025 8.006 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.676 6.499 -12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.433 6.486 -12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.104 8.204 -12.946 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.392 7.541 -14.815 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.245 6.011 -14.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.143 7.549 -16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.312 7.203 -15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.486 8.686 -15.256 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.707 5.410 -8.224 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.269 4.430 -7.301 1.00 0.00 C ATOM 1152 C ASN A 78 -12.935 5.118 -6.115 1.00 0.00 C ATOM 1153 O ASN A 78 -12.799 6.328 -5.928 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.176 3.480 -6.807 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.900 2.358 -7.788 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.227 1.199 -7.532 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -10.292 2.697 -8.919 1.00 0.00 N ATOM 0 H ASN A 78 -10.717 5.607 -8.079 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.026 3.856 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.259 4.043 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.473 3.056 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.078 1.984 -9.617 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.039 3.670 -9.090 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.655 4.338 -5.315 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.343 4.872 -4.145 1.00 0.00 C ATOM 1166 C ASP A 79 -13.650 4.432 -2.858 1.00 0.00 C ATOM 1167 O ASP A 79 -13.690 5.136 -1.849 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.803 4.416 -4.133 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.946 2.926 -4.375 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.433 2.440 -5.405 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.572 2.246 -3.536 1.00 0.00 O ATOM 0 H ASP A 79 -13.777 3.335 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.310 5.960 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.252 4.670 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.357 4.960 -4.898 1.00 0.00 H new ATOM 1176 N GLY A 80 -13.015 3.264 -2.902 1.00 0.00 N ATOM 1177 CA GLY A 80 -12.322 2.752 -1.735 1.00 0.00 C ATOM 1178 C GLY A 80 -12.610 1.284 -1.489 1.00 0.00 C ATOM 1179 O GLY A 80 -11.782 0.569 -0.924 1.00 0.00 O ATOM 0 H GLY A 80 -12.969 2.664 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.249 2.892 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.617 3.329 -0.859 1.00 0.00 H new ATOM 1183 N SER A 81 -13.785 0.835 -1.915 1.00 0.00 N ATOM 1184 CA SER A 81 -14.181 -0.558 -1.738 1.00 0.00 C ATOM 1185 C SER A 81 -14.318 -1.259 -3.085 1.00 0.00 C ATOM 1186 O SER A 81 -15.252 -0.997 -3.842 1.00 0.00 O ATOM 1187 CB SER A 81 -15.500 -0.641 -0.969 1.00 0.00 C ATOM 1188 OG SER A 81 -15.451 -1.655 0.021 1.00 0.00 O ATOM 0 H SER A 81 -14.480 1.415 -2.385 1.00 0.00 H new ATOM 0 HA SER A 81 -13.403 -1.062 -1.165 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.712 0.320 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.316 -0.844 -1.662 1.00 0.00 H new ATOM 0 HG SER A 81 -16.306 -1.687 0.499 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.382 -2.156 -3.376 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.398 -2.898 -4.630 1.00 0.00 C ATOM 1196 C VAL A 82 -13.942 -4.307 -4.426 1.00 0.00 C ATOM 1197 O VAL A 82 -13.289 -5.152 -3.813 1.00 0.00 O ATOM 1198 CB VAL A 82 -11.990 -2.990 -5.249 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.062 -3.561 -6.657 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.317 -1.625 -5.254 1.00 0.00 C ATOM 0 H VAL A 82 -12.603 -2.386 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.051 -2.352 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.389 -3.663 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.058 -3.618 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.499 -4.559 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.680 -2.915 -7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.324 -1.711 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.915 -0.927 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.230 -1.259 -4.231 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.141 -4.554 -4.943 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.772 -5.862 -4.816 1.00 0.00 C ATOM 1212 C ASN A 83 -15.985 -6.219 -3.350 1.00 0.00 C ATOM 1213 O ASN A 83 -15.990 -7.393 -2.979 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.918 -6.933 -5.497 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.958 -6.822 -7.008 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.443 -5.717 -7.534 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -15.448 -7.719 -7.695 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.695 -3.866 -5.453 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.744 -5.820 -5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.887 -6.845 -5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.270 -7.920 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.833 -8.551 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.469 -7.630 -8.711 1.00 0.00 H new ATOM 1224 N GLY A 84 -16.161 -5.196 -2.521 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.374 -5.418 -1.103 1.00 0.00 C ATOM 1226 C GLY A 84 -15.129 -5.151 -0.281 1.00 0.00 C ATOM 1227 O GLY A 84 -15.218 -4.779 0.889 1.00 0.00 O ATOM 0 H GLY A 84 -16.160 -4.217 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.181 -4.773 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.697 -6.447 -0.944 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.965 -5.339 -0.894 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.697 -5.116 -0.210 1.00 0.00 C ATOM 1233 C LYS A 85 -12.383 -3.627 -0.112 1.00 0.00 C ATOM 1234 O LYS A 85 -12.195 -2.954 -1.125 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.565 -5.841 -0.940 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.522 -6.434 -0.007 1.00 0.00 C ATOM 1237 CD LYS A 85 -10.022 -7.779 -0.509 1.00 0.00 C ATOM 1238 CE LYS A 85 -9.619 -8.689 0.640 1.00 0.00 C ATOM 1239 NZ LYS A 85 -9.777 -10.128 0.291 1.00 0.00 N ATOM 0 H LYS A 85 -13.874 -5.645 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.784 -5.516 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.989 -6.638 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.077 -5.143 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.683 -5.745 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.949 -6.553 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.801 -8.261 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.169 -7.627 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.582 -8.493 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.226 -8.459 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.183 -10.705 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.773 -10.405 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.485 -10.280 -0.696 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.330 -3.120 1.115 1.00 0.00 N ATOM 1254 CA ARG A 86 -12.040 -1.710 1.349 1.00 0.00 C ATOM 1255 C ARG A 86 -10.574 -1.513 1.724 1.00 0.00 C ATOM 1256 O ARG A 86 -10.098 -2.064 2.716 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.940 -1.160 2.455 1.00 0.00 C ATOM 1258 CG ARG A 86 -13.102 0.351 2.413 1.00 0.00 C ATOM 1259 CD ARG A 86 -13.220 0.935 3.811 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.329 0.340 4.556 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.264 -0.010 5.841 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -13.155 0.188 6.543 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -15.320 -0.556 6.430 1.00 0.00 N ATOM 0 H ARG A 86 -12.484 -3.665 1.963 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.237 -1.165 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.923 -1.625 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.528 -1.446 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.248 0.796 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.989 0.607 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.289 0.771 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.364 2.013 3.744 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.207 0.183 4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.340 0.612 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.118 -0.084 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.178 -0.707 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.274 -0.825 7.413 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.864 -0.724 0.923 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.451 -0.456 1.172 1.00 0.00 C ATOM 1279 C TYR A 87 -8.275 0.805 2.011 1.00 0.00 C ATOM 1280 O TYR A 87 -7.638 0.777 3.064 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.700 -0.311 -0.152 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.691 -1.572 -0.985 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.859 -2.053 -1.564 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.515 -2.281 -1.195 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -8.855 -3.206 -2.326 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.502 -3.435 -1.956 1.00 0.00 C ATOM 1287 CZ TYR A 87 -7.675 -3.892 -2.520 1.00 0.00 C ATOM 1288 OH TYR A 87 -7.667 -5.040 -3.278 1.00 0.00 O ATOM 0 H TYR A 87 -10.243 -0.260 0.098 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.038 -1.299 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.154 0.493 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.672 -0.015 0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.785 -1.517 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.595 -1.924 -0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.772 -3.568 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.579 -3.975 -2.108 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.267 -4.930 -4.045 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.842 1.911 1.538 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.745 3.182 2.247 1.00 0.00 C ATOM 1300 C PHE A 88 -10.131 3.739 2.556 1.00 0.00 C ATOM 1301 O PHE A 88 -11.144 3.172 2.148 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.950 4.193 1.418 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.467 4.359 0.018 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.537 5.200 -0.245 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.882 3.676 -1.036 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -10.014 5.355 -1.533 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.355 3.827 -2.326 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.422 4.668 -2.575 1.00 0.00 C ATOM 0 H PHE A 88 -9.373 1.952 0.668 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.225 3.006 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.971 5.160 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.908 3.877 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.003 5.740 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.047 3.018 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.849 6.013 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.891 3.288 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.793 4.788 -3.582 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.166 4.853 3.280 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.428 5.487 3.644 1.00 0.00 C ATOM 1320 C GLU A 89 -11.573 6.844 2.963 1.00 0.00 C ATOM 1321 O GLU A 89 -11.099 7.859 3.473 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.519 5.651 5.162 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.873 4.365 5.891 1.00 0.00 C ATOM 1324 CD GLU A 89 -10.649 3.574 6.305 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -9.762 4.154 6.968 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -10.575 2.374 5.967 1.00 0.00 O ATOM 0 H GLU A 89 -9.336 5.335 3.626 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.241 4.844 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.565 6.021 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.268 6.408 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.463 4.604 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.499 3.747 5.247 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.230 6.854 1.809 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.439 8.086 1.057 1.00 0.00 C ATOM 1335 C CYS A 90 -13.686 7.986 0.187 1.00 0.00 C ATOM 1336 O CYS A 90 -14.145 6.890 -0.135 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.218 8.391 0.187 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.783 8.988 1.111 1.00 0.00 S ATOM 0 H CYS A 90 -12.628 6.022 1.373 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.580 8.898 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.937 7.488 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.493 9.138 -0.558 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.911 8.670 2.365 1.00 0.00 H new ATOM 1344 N GLN A 91 -14.232 9.138 -0.191 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.428 9.180 -1.024 1.00 0.00 C ATOM 1346 C GLN A 91 -15.123 8.711 -2.442 1.00 0.00 C ATOM 1347 O GLN A 91 -14.028 8.223 -2.724 1.00 0.00 O ATOM 1348 CB GLN A 91 -16.002 10.597 -1.055 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.522 10.636 -1.042 1.00 0.00 C ATOM 1350 CD GLN A 91 -18.073 11.553 0.032 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.697 11.456 1.200 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.970 12.450 -0.360 1.00 0.00 N ATOM 0 H GLN A 91 -13.865 10.054 0.066 1.00 0.00 H new ATOM 0 HA GLN A 91 -16.166 8.505 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.625 11.152 -0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.641 11.107 -1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.882 10.967 -2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.906 9.628 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -19.252 12.495 -1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -19.377 13.095 0.318 1.00 0.00 H new ATOM 1361 N ALA A 92 -16.098 8.863 -3.332 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.936 8.456 -4.722 1.00 0.00 C ATOM 1363 C ALA A 92 -15.292 9.566 -5.547 1.00 0.00 C ATOM 1364 O ALA A 92 -15.387 10.745 -5.203 1.00 0.00 O ATOM 1365 CB ALA A 92 -17.279 8.066 -5.318 1.00 0.00 C ATOM 0 H ALA A 92 -17.010 9.266 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.275 7.590 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.142 7.764 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.701 7.236 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.958 8.918 -5.274 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.636 9.181 -6.638 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.977 10.143 -7.513 1.00 0.00 C ATOM 1373 C LYS A 93 -12.898 10.914 -6.759 1.00 0.00 C ATOM 1374 O LYS A 93 -12.763 12.127 -6.915 1.00 0.00 O ATOM 1375 CB LYS A 93 -15.002 11.117 -8.098 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.764 10.557 -9.288 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.842 9.578 -8.849 1.00 0.00 C ATOM 1378 CE LYS A 93 -18.025 10.296 -8.220 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.959 10.834 -9.247 1.00 0.00 N ATOM 0 H LYS A 93 -14.547 8.210 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.504 9.593 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.713 11.394 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.491 12.030 -8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.219 11.374 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.070 10.057 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.181 9.000 -9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.423 8.870 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.561 9.608 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.663 11.113 -7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.752 11.316 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.454 11.510 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.324 10.052 -9.827 1.00 0.00 H new ATOM 1393 N TYR A 94 -12.130 10.200 -5.943 1.00 0.00 N ATOM 1394 CA TYR A 94 -11.062 10.817 -5.165 1.00 0.00 C ATOM 1395 C TYR A 94 -9.828 9.921 -5.127 1.00 0.00 C ATOM 1396 O TYR A 94 -8.771 10.281 -5.647 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.541 11.105 -3.742 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.200 12.458 -3.587 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.473 13.629 -3.765 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.547 12.563 -3.266 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -12.072 14.867 -3.627 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -14.153 13.798 -3.126 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.411 14.946 -3.308 1.00 0.00 C ATOM 1404 OH TYR A 94 -14.009 16.177 -3.170 1.00 0.00 O ATOM 0 H TYR A 94 -12.227 9.194 -5.803 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.792 11.756 -5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.246 10.330 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.691 11.044 -3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.424 13.571 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.131 11.666 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.494 15.768 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -15.202 13.863 -2.876 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.955 16.058 -2.945 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.970 8.753 -4.510 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.858 7.825 -4.416 1.00 0.00 C ATOM 1416 C GLY A 95 -8.777 6.891 -5.607 1.00 0.00 C ATOM 1417 O GLY A 95 -9.755 6.225 -5.951 1.00 0.00 O ATOM 0 H GLY A 95 -10.834 8.432 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.927 8.386 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.956 7.237 -3.504 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.609 6.841 -6.238 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.403 5.982 -7.397 1.00 0.00 C ATOM 1423 C ALA A 96 -6.395 4.879 -7.090 1.00 0.00 C ATOM 1424 O ALA A 96 -5.566 5.015 -6.191 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.938 6.806 -8.590 1.00 0.00 C ATOM 0 H ALA A 96 -6.791 7.386 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.355 5.512 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.788 6.151 -9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.693 7.554 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.000 7.303 -8.345 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.474 3.786 -7.842 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.569 2.658 -7.649 1.00 0.00 C ATOM 1433 C PHE A 97 -4.558 2.572 -8.787 1.00 0.00 C ATOM 1434 O PHE A 97 -4.900 2.192 -9.906 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.361 1.354 -7.555 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.046 1.162 -6.231 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.326 1.221 -5.049 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.409 0.922 -6.170 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.952 1.046 -3.830 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.041 0.746 -4.954 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.312 0.807 -3.782 1.00 0.00 C ATOM 0 H PHE A 97 -7.155 3.657 -8.590 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.027 2.814 -6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.109 1.334 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.687 0.516 -7.731 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.262 1.406 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.984 0.872 -7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.379 1.096 -2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.104 0.561 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.804 0.668 -2.831 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.311 2.923 -8.491 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.248 2.883 -9.489 1.00 0.00 C ATOM 1453 C VAL A 98 -1.176 1.869 -9.106 1.00 0.00 C ATOM 1454 O VAL A 98 -1.270 1.212 -8.070 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.593 4.265 -9.671 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.499 5.186 -10.473 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.256 4.880 -8.320 1.00 0.00 C ATOM 0 H VAL A 98 -3.012 3.238 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.708 2.584 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.664 4.134 -10.226 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.018 6.157 -10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.683 4.751 -11.455 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.446 5.311 -9.949 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.794 5.856 -8.470 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.169 4.996 -7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.564 4.229 -7.786 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.157 1.745 -9.950 1.00 0.00 N ATOM 1468 CA LYS A 99 0.933 0.809 -9.700 1.00 0.00 C ATOM 1469 C LYS A 99 2.154 1.528 -9.130 1.00 0.00 C ATOM 1470 O LYS A 99 2.412 2.684 -9.460 1.00 0.00 O ATOM 1471 CB LYS A 99 1.313 0.081 -10.990 1.00 0.00 C ATOM 1472 CG LYS A 99 0.145 -0.623 -11.661 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.353 -1.791 -10.826 1.00 0.00 C ATOM 1474 CE LYS A 99 0.403 -3.070 -11.149 1.00 0.00 C ATOM 1475 NZ LYS A 99 -0.431 -4.028 -11.927 1.00 0.00 N ATOM 0 H LYS A 99 -0.063 2.281 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 99 0.589 0.081 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.743 0.799 -11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.089 -0.652 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.668 0.086 -11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.450 -0.981 -12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.239 -1.557 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.417 -1.941 -11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.301 -2.827 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.729 -3.542 -10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.121 -4.886 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.276 -4.280 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.722 -3.587 -12.823 1.00 0.00 H new ATOM 1489 N PRO A 100 2.923 0.846 -8.259 1.00 0.00 N ATOM 1490 CA PRO A 100 4.121 1.425 -7.649 1.00 0.00 C ATOM 1491 C PRO A 100 4.988 2.115 -8.689 1.00 0.00 C ATOM 1492 O PRO A 100 5.358 3.280 -8.536 1.00 0.00 O ATOM 1493 CB PRO A 100 4.838 0.208 -7.065 1.00 0.00 C ATOM 1494 CG PRO A 100 3.747 -0.758 -6.759 1.00 0.00 C ATOM 1495 CD PRO A 100 2.688 -0.541 -7.809 1.00 0.00 C ATOM 0 HA PRO A 100 3.892 2.188 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.551 -0.211 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.399 0.471 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.116 -1.783 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.345 -0.588 -5.760 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.786 -1.251 -8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.686 -0.665 -7.399 1.00 0.00 H new ATOM 1503 N SER A 101 5.286 1.391 -9.764 1.00 0.00 N ATOM 1504 CA SER A 101 6.082 1.938 -10.851 1.00 0.00 C ATOM 1505 C SER A 101 5.424 3.206 -11.379 1.00 0.00 C ATOM 1506 O SER A 101 6.087 4.076 -11.944 1.00 0.00 O ATOM 1507 CB SER A 101 6.230 0.912 -11.975 1.00 0.00 C ATOM 1508 OG SER A 101 7.520 0.976 -12.558 1.00 0.00 O ATOM 0 H SER A 101 4.987 0.426 -9.903 1.00 0.00 H new ATOM 0 HA SER A 101 7.076 2.180 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.054 -0.090 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.473 1.093 -12.738 1.00 0.00 H new ATOM 0 HG SER A 101 7.589 0.309 -13.273 1.00 0.00 H new ATOM 1514 N ALA A 102 4.111 3.311 -11.171 1.00 0.00 N ATOM 1515 CA ALA A 102 3.362 4.480 -11.605 1.00 0.00 C ATOM 1516 C ALA A 102 3.347 5.544 -10.510 1.00 0.00 C ATOM 1517 O ALA A 102 2.985 6.695 -10.756 1.00 0.00 O ATOM 1518 CB ALA A 102 1.942 4.087 -11.987 1.00 0.00 C ATOM 0 H ALA A 102 3.549 2.599 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 102 3.853 4.899 -12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.394 4.972 -12.310 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.971 3.362 -12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.442 3.645 -11.125 1.00 0.00 H new ATOM 1524 N VAL A 103 3.745 5.152 -9.299 1.00 0.00 N ATOM 1525 CA VAL A 103 3.776 6.076 -8.172 1.00 0.00 C ATOM 1526 C VAL A 103 5.194 6.573 -7.906 1.00 0.00 C ATOM 1527 O VAL A 103 6.083 5.789 -7.569 1.00 0.00 O ATOM 1528 CB VAL A 103 3.227 5.419 -6.892 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.085 6.447 -5.780 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.896 4.737 -7.172 1.00 0.00 C ATOM 0 H VAL A 103 4.049 4.204 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 103 3.142 6.921 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 103 3.937 4.660 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.696 5.963 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.059 6.884 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.398 7.232 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.523 4.278 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.177 5.475 -7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.034 3.969 -7.933 1.00 0.00 H new ATOM 1540 N THR A 104 5.398 7.876 -8.062 1.00 0.00 N ATOM 1541 CA THR A 104 6.709 8.477 -7.839 1.00 0.00 C ATOM 1542 C THR A 104 6.805 9.075 -6.439 1.00 0.00 C ATOM 1543 O THR A 104 6.100 10.031 -6.112 1.00 0.00 O ATOM 1544 CB THR A 104 6.984 9.556 -8.887 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.639 9.097 -10.182 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.431 9.998 -8.926 1.00 0.00 C ATOM 0 H THR A 104 4.673 8.537 -8.342 1.00 0.00 H new ATOM 0 HA THR A 104 7.460 7.692 -7.930 1.00 0.00 H new ATOM 0 HB THR A 104 6.369 10.407 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.821 9.802 -10.838 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.557 10.764 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.714 10.405 -7.955 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.066 9.144 -9.160 1.00 0.00 H new ATOM 1554 N VAL A 105 7.680 8.508 -5.617 1.00 0.00 N ATOM 1555 CA VAL A 105 7.869 8.984 -4.253 1.00 0.00 C ATOM 1556 C VAL A 105 8.791 10.199 -4.218 1.00 0.00 C ATOM 1557 O VAL A 105 9.905 10.162 -4.741 1.00 0.00 O ATOM 1558 CB VAL A 105 8.458 7.883 -3.350 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.469 8.331 -1.897 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.677 6.588 -3.509 1.00 0.00 C ATOM 0 H VAL A 105 8.271 7.717 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 105 6.885 9.265 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 105 9.488 7.700 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.888 7.540 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.076 9.231 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.450 8.544 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.107 5.822 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.636 6.754 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.727 6.258 -4.547 1.00 0.00 H new ATOM 1570 N GLY A 106 8.319 11.276 -3.598 1.00 0.00 N ATOM 1571 CA GLY A 106 9.114 12.487 -3.508 1.00 0.00 C ATOM 1572 C GLY A 106 10.046 12.480 -2.312 1.00 0.00 C ATOM 1573 O GLY A 106 11.243 12.733 -2.449 1.00 0.00 O ATOM 0 H GLY A 106 7.401 11.332 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.699 12.603 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.451 13.350 -3.443 1.00 0.00 H new ATOM 1577 N ASP A 107 9.497 12.191 -1.137 1.00 0.00 N ATOM 1578 CA ASP A 107 10.287 12.153 0.088 1.00 0.00 C ATOM 1579 C ASP A 107 9.830 11.015 0.994 1.00 0.00 C ATOM 1580 O ASP A 107 8.926 10.256 0.646 1.00 0.00 O ATOM 1581 CB ASP A 107 10.182 13.486 0.830 1.00 0.00 C ATOM 1582 CG ASP A 107 11.490 13.890 1.482 1.00 0.00 C ATOM 1583 OD1 ASP A 107 11.731 13.476 2.635 1.00 0.00 O ATOM 1584 OD2 ASP A 107 12.273 14.621 0.840 1.00 0.00 O ATOM 0 H ASP A 107 8.508 11.980 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 107 11.328 11.980 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.872 14.264 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.406 13.414 1.592 1.00 0.00 H new ATOM 1589 N SER A 108 10.460 10.904 2.160 1.00 0.00 N ATOM 1590 CA SER A 108 10.117 9.858 3.117 1.00 0.00 C ATOM 1591 C SER A 108 9.923 10.443 4.512 1.00 0.00 C ATOM 1592 O SER A 108 10.389 11.545 4.805 1.00 0.00 O ATOM 1593 CB SER A 108 11.208 8.786 3.146 1.00 0.00 C ATOM 1594 OG SER A 108 10.646 7.488 3.237 1.00 0.00 O ATOM 0 H SER A 108 11.210 11.525 2.464 1.00 0.00 H new ATOM 0 HA SER A 108 9.179 9.401 2.800 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.818 8.859 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.870 8.959 3.994 1.00 0.00 H new ATOM 0 HG SER A 108 11.364 6.821 3.252 1.00 0.00 H new ATOM 1600 N GLY A 109 9.233 9.698 5.370 1.00 0.00 N ATOM 1601 CA GLY A 109 8.989 10.160 6.723 1.00 0.00 C ATOM 1602 C GLY A 109 10.257 10.222 7.555 1.00 0.00 C ATOM 1603 O GLY A 109 10.902 11.267 7.627 1.00 0.00 O ATOM 0 H GLY A 109 8.839 8.783 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.532 11.149 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.273 9.495 7.207 1.00 0.00 H new ATOM 1607 N PRO A 110 10.643 9.107 8.200 1.00 0.00 N ATOM 1608 CA PRO A 110 11.849 9.053 9.032 1.00 0.00 C ATOM 1609 C PRO A 110 13.128 9.133 8.204 1.00 0.00 C ATOM 1610 O PRO A 110 13.103 8.952 6.987 1.00 0.00 O ATOM 1611 CB PRO A 110 11.745 7.692 9.723 1.00 0.00 C ATOM 1612 CG PRO A 110 10.909 6.865 8.809 1.00 0.00 C ATOM 1613 CD PRO A 110 9.932 7.815 8.170 1.00 0.00 C ATOM 0 HA PRO A 110 11.904 9.894 9.724 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.729 7.247 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.285 7.782 10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.524 6.372 8.056 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.389 6.081 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.687 7.515 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.994 7.859 8.723 1.00 0.00 H new ATOM 1621 N SER A 111 14.244 9.404 8.873 1.00 0.00 N ATOM 1622 CA SER A 111 15.533 9.507 8.200 1.00 0.00 C ATOM 1623 C SER A 111 15.520 10.630 7.167 1.00 0.00 C ATOM 1624 O SER A 111 15.893 10.429 6.010 1.00 0.00 O ATOM 1625 CB SER A 111 15.889 8.179 7.528 1.00 0.00 C ATOM 1626 OG SER A 111 16.602 7.333 8.414 1.00 0.00 O ATOM 0 H SER A 111 14.281 9.556 9.881 1.00 0.00 H new ATOM 0 HA SER A 111 16.289 9.739 8.950 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.978 7.680 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.490 8.368 6.638 1.00 0.00 H new ATOM 0 HG SER A 111 16.816 6.491 7.961 1.00 0.00 H new ATOM 1632 N SER A 112 15.088 11.812 7.591 1.00 0.00 N ATOM 1633 CA SER A 112 15.026 12.967 6.703 1.00 0.00 C ATOM 1634 C SER A 112 14.827 14.254 7.497 1.00 0.00 C ATOM 1635 O SER A 112 13.909 14.358 8.310 1.00 0.00 O ATOM 1636 CB SER A 112 13.891 12.798 5.691 1.00 0.00 C ATOM 1637 OG SER A 112 14.335 12.100 4.540 1.00 0.00 O ATOM 0 H SER A 112 14.775 11.996 8.544 1.00 0.00 H new ATOM 0 HA SER A 112 15.974 13.034 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 112 13.065 12.257 6.153 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.508 13.777 5.402 1.00 0.00 H new ATOM 0 HG SER A 112 14.957 11.391 4.807 1.00 0.00 H new ATOM 1643 N GLY A 113 15.693 15.233 7.255 1.00 0.00 N ATOM 1644 CA GLY A 113 15.595 16.500 7.955 1.00 0.00 C ATOM 1645 C GLY A 113 16.525 17.552 7.383 1.00 0.00 C ATOM 1646 O GLY A 113 16.630 18.642 7.984 1.00 0.00 O ATOM 1647 OXT GLY A 113 17.150 17.286 6.334 1.00 0.00 O ATOM 0 H GLY A 113 16.461 15.171 6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 113 14.568 16.861 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.828 16.348 9.009 1.00 0.00 H new TER 1651 GLY A 113