USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 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 14 HIS : no HD1:sc= -0.265 K(o=-0.26,f=-1.1) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 66 ASN : amide:sc= -1.1! C(o=-3.8!,f=-4.2!) USER MOD Set 2.2: A 88 GLN : amide:sc= -2.74! X(o=-3.8!,f=-4.2) USER MOD Set 3.1: A 30 SER OG : rot -173:sc= 0.892 USER MOD Set 3.2: A 38 THR OG1 : rot 180:sc= 0.0848 USER MOD Set 4.1: A 17 LYS NZ :NH3+ -169:sc= -4.04 (180deg=-4.23!) USER MOD Set 4.2: A 85 THR OG1 : rot -74:sc= 0.776 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -54:sc= 0.087 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.019) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.53) USER MOD Single : A 46 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-0.92) USER MOD Single : A 53 SER OG : rot -95:sc= 0.948 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 68 THR OG1 : rot 97:sc= 0.00269 USER MOD Single : A 69 SER OG : rot 180:sc= 0.05 USER MOD Single : A 78 CYS SG : rot 180:sc= -0.0139 USER MOD Single : A 79 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-0.55) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.704 -5.951 -21.123 1.00 0.00 N ATOM 2 CA GLY A 1 -9.290 -5.737 -21.370 1.00 0.00 C ATOM 3 C GLY A 1 -8.670 -4.764 -20.386 1.00 0.00 C ATOM 4 O GLY A 1 -8.159 -3.715 -20.778 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.081 -6.623 -21.822 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.835 -6.337 -20.166 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.211 -5.047 -21.204 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.766 -6.691 -21.312 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.154 -5.360 -22.384 1.00 0.00 H new ATOM 8 N SER A 2 -8.717 -5.111 -19.104 1.00 0.00 N ATOM 9 CA SER A 2 -8.161 -4.257 -18.060 1.00 0.00 C ATOM 10 C SER A 2 -6.637 -4.253 -18.117 1.00 0.00 C ATOM 11 O SER A 2 -5.986 -5.202 -17.679 1.00 0.00 O ATOM 12 CB SER A 2 -8.630 -4.729 -16.682 1.00 0.00 C ATOM 13 OG SER A 2 -10.017 -4.492 -16.507 1.00 0.00 O ATOM 0 H SER A 2 -9.134 -5.977 -18.763 1.00 0.00 H new ATOM 0 HA SER A 2 -8.517 -3.240 -18.228 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.422 -5.793 -16.568 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.068 -4.210 -15.905 1.00 0.00 H new ATOM 0 HG SER A 2 -10.293 -4.804 -15.620 1.00 0.00 H new ATOM 19 N SER A 3 -6.074 -3.179 -18.660 1.00 0.00 N ATOM 20 CA SER A 3 -4.626 -3.052 -18.779 1.00 0.00 C ATOM 21 C SER A 3 -4.170 -1.649 -18.390 1.00 0.00 C ATOM 22 O SER A 3 -4.986 -0.786 -18.067 1.00 0.00 O ATOM 23 CB SER A 3 -4.180 -3.367 -20.208 1.00 0.00 C ATOM 24 OG SER A 3 -4.918 -2.609 -21.151 1.00 0.00 O ATOM 0 H SER A 3 -6.598 -2.384 -19.025 1.00 0.00 H new ATOM 0 HA SER A 3 -4.167 -3.767 -18.097 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.117 -3.152 -20.316 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.312 -4.430 -20.408 1.00 0.00 H new ATOM 0 HG SER A 3 -4.613 -2.827 -22.056 1.00 0.00 H new ATOM 30 N GLY A 4 -2.860 -1.428 -18.424 1.00 0.00 N ATOM 31 CA GLY A 4 -2.317 -0.129 -18.073 1.00 0.00 C ATOM 32 C GLY A 4 -2.876 0.986 -18.935 1.00 0.00 C ATOM 33 O GLY A 4 -3.883 1.603 -18.587 1.00 0.00 O ATOM 0 H GLY A 4 -2.165 -2.126 -18.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.535 0.081 -17.026 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.232 -0.153 -18.174 1.00 0.00 H new ATOM 37 N SER A 5 -2.221 1.245 -20.062 1.00 0.00 N ATOM 38 CA SER A 5 -2.656 2.297 -20.974 1.00 0.00 C ATOM 39 C SER A 5 -2.579 3.665 -20.302 1.00 0.00 C ATOM 40 O SER A 5 -3.436 4.522 -20.515 1.00 0.00 O ATOM 41 CB SER A 5 -4.085 2.029 -21.450 1.00 0.00 C ATOM 42 OG SER A 5 -4.380 2.773 -22.620 1.00 0.00 O ATOM 0 H SER A 5 -1.388 0.741 -20.366 1.00 0.00 H new ATOM 0 HA SER A 5 -1.988 2.297 -21.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.212 0.965 -21.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.790 2.291 -20.661 1.00 0.00 H new ATOM 0 HG SER A 5 -4.200 3.723 -22.458 1.00 0.00 H new ATOM 48 N SER A 6 -1.546 3.860 -19.488 1.00 0.00 N ATOM 49 CA SER A 6 -1.359 5.122 -18.781 1.00 0.00 C ATOM 50 C SER A 6 0.103 5.556 -18.823 1.00 0.00 C ATOM 51 O SER A 6 1.011 4.727 -18.760 1.00 0.00 O ATOM 52 CB SER A 6 -1.822 4.990 -17.329 1.00 0.00 C ATOM 53 OG SER A 6 -3.119 4.424 -17.257 1.00 0.00 O ATOM 0 H SER A 6 -0.827 3.161 -19.302 1.00 0.00 H new ATOM 0 HA SER A 6 -1.960 5.883 -19.279 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.119 4.368 -16.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.823 5.971 -16.854 1.00 0.00 H new ATOM 0 HG SER A 6 -3.391 4.349 -16.319 1.00 0.00 H new ATOM 59 N GLY A 7 0.323 6.863 -18.931 1.00 0.00 N ATOM 60 CA GLY A 7 1.676 7.386 -18.980 1.00 0.00 C ATOM 61 C GLY A 7 2.107 8.004 -17.665 1.00 0.00 C ATOM 62 O GLY A 7 2.573 9.143 -17.630 1.00 0.00 O ATOM 0 H GLY A 7 -0.411 7.569 -18.985 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.364 6.582 -19.243 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.744 8.135 -19.769 1.00 0.00 H new ATOM 66 N ASP A 8 1.949 7.253 -16.580 1.00 0.00 N ATOM 67 CA ASP A 8 2.325 7.735 -15.256 1.00 0.00 C ATOM 68 C ASP A 8 3.439 6.879 -14.662 1.00 0.00 C ATOM 69 O ASP A 8 3.908 5.931 -15.290 1.00 0.00 O ATOM 70 CB ASP A 8 1.111 7.731 -14.325 1.00 0.00 C ATOM 71 CG ASP A 8 0.347 9.040 -14.364 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.932 10.055 -14.795 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.836 9.049 -13.962 1.00 0.00 O ATOM 0 H ASP A 8 1.563 6.309 -16.592 1.00 0.00 H new ATOM 0 HA ASP A 8 2.692 8.756 -15.359 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.444 6.916 -14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.440 7.536 -13.304 1.00 0.00 H new ATOM 78 N ASN A 9 3.859 7.222 -13.449 1.00 0.00 N ATOM 79 CA ASN A 9 4.920 6.485 -12.771 1.00 0.00 C ATOM 80 C ASN A 9 4.349 5.600 -11.667 1.00 0.00 C ATOM 81 O ASN A 9 4.331 5.984 -10.497 1.00 0.00 O ATOM 82 CB ASN A 9 5.946 7.455 -12.182 1.00 0.00 C ATOM 83 CG ASN A 9 5.294 8.632 -11.481 1.00 0.00 C ATOM 84 OD1 ASN A 9 4.542 8.458 -10.522 1.00 0.00 O ATOM 85 ND2 ASN A 9 5.582 9.837 -11.958 1.00 0.00 N ATOM 0 H ASN A 9 3.482 8.005 -12.915 1.00 0.00 H new ATOM 0 HA ASN A 9 5.412 5.847 -13.506 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.582 6.922 -11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.593 7.823 -12.978 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.174 10.667 -11.527 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.211 9.933 -12.755 1.00 0.00 H new ATOM 92 N CYS A 10 3.884 4.416 -12.048 1.00 0.00 N ATOM 93 CA CYS A 10 3.311 3.476 -11.091 1.00 0.00 C ATOM 94 C CYS A 10 3.782 2.053 -11.378 1.00 0.00 C ATOM 95 O CYS A 10 4.147 1.726 -12.507 1.00 0.00 O ATOM 96 CB CYS A 10 1.784 3.539 -11.133 1.00 0.00 C ATOM 97 SG CYS A 10 1.073 3.135 -12.746 1.00 0.00 S ATOM 0 H CYS A 10 3.892 4.084 -13.012 1.00 0.00 H new ATOM 0 HA CYS A 10 3.651 3.758 -10.095 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.382 2.852 -10.388 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.464 4.541 -10.848 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.223 3.213 -12.681 1.00 0.00 H new ATOM 103 N ARG A 11 3.771 1.213 -10.348 1.00 0.00 N ATOM 104 CA ARG A 11 4.199 -0.173 -10.489 1.00 0.00 C ATOM 105 C ARG A 11 3.137 -1.128 -9.951 1.00 0.00 C ATOM 106 O ARG A 11 2.829 -1.119 -8.760 1.00 0.00 O ATOM 107 CB ARG A 11 5.522 -0.398 -9.754 1.00 0.00 C ATOM 108 CG ARG A 11 6.300 -1.603 -10.256 1.00 0.00 C ATOM 109 CD ARG A 11 7.766 -1.526 -9.857 1.00 0.00 C ATOM 110 NE ARG A 11 8.526 -0.640 -10.736 1.00 0.00 N ATOM 111 CZ ARG A 11 9.843 -0.484 -10.660 1.00 0.00 C ATOM 112 NH1 ARG A 11 10.542 -1.151 -9.752 1.00 0.00 N ATOM 113 NH2 ARG A 11 10.463 0.340 -11.495 1.00 0.00 N ATOM 0 H ARG A 11 3.470 1.468 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 11 4.342 -0.376 -11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.142 0.493 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.320 -0.524 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.860 -2.515 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.220 -1.663 -11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.844 -1.171 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.202 -2.525 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 11 8.018 -0.113 -11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.069 -1.786 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.553 -1.029 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.928 0.854 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.474 0.460 -11.436 1.00 0.00 H new ATOM 127 N GLU A 12 2.583 -1.949 -10.838 1.00 0.00 N ATOM 128 CA GLU A 12 1.555 -2.908 -10.451 1.00 0.00 C ATOM 129 C GLU A 12 2.182 -4.178 -9.884 1.00 0.00 C ATOM 130 O GLU A 12 2.712 -5.006 -10.625 1.00 0.00 O ATOM 131 CB GLU A 12 0.671 -3.254 -11.651 1.00 0.00 C ATOM 132 CG GLU A 12 -0.715 -3.743 -11.266 1.00 0.00 C ATOM 133 CD GLU A 12 -1.633 -3.896 -12.463 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.212 -4.520 -13.459 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.774 -3.390 -12.403 1.00 0.00 O ATOM 0 H GLU A 12 2.828 -1.969 -11.828 1.00 0.00 H new ATOM 0 HA GLU A 12 0.940 -2.450 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.573 -2.373 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.165 -4.022 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.629 -4.701 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.160 -3.043 -10.559 1.00 0.00 H new ATOM 142 N VAL A 13 2.117 -4.326 -8.565 1.00 0.00 N ATOM 143 CA VAL A 13 2.677 -5.495 -7.897 1.00 0.00 C ATOM 144 C VAL A 13 1.575 -6.390 -7.340 1.00 0.00 C ATOM 145 O VAL A 13 0.921 -6.047 -6.354 1.00 0.00 O ATOM 146 CB VAL A 13 3.621 -5.088 -6.751 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.159 -6.319 -6.039 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.759 -4.227 -7.279 1.00 0.00 C ATOM 0 H VAL A 13 1.682 -3.650 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 13 3.245 -6.046 -8.647 1.00 0.00 H new ATOM 0 HB VAL A 13 3.055 -4.499 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.824 -6.011 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.329 -6.892 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.710 -6.937 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.417 -3.948 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.326 -4.788 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.351 -3.327 -7.738 1.00 0.00 H new ATOM 158 N HIS A 14 1.375 -7.539 -7.978 1.00 0.00 N ATOM 159 CA HIS A 14 0.353 -8.485 -7.545 1.00 0.00 C ATOM 160 C HIS A 14 0.906 -9.437 -6.489 1.00 0.00 C ATOM 161 O HIS A 14 2.099 -9.746 -6.480 1.00 0.00 O ATOM 162 CB HIS A 14 -0.174 -9.280 -8.740 1.00 0.00 C ATOM 163 CG HIS A 14 -0.480 -8.432 -9.936 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.498 -7.902 -10.752 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.662 -8.024 -10.454 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.070 -7.203 -11.719 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.380 -7.262 -11.561 1.00 0.00 N ATOM 0 H HIS A 14 1.907 -7.837 -8.796 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.468 -7.919 -7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.563 -10.033 -9.018 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.077 -9.812 -8.442 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.644 -8.255 -10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.449 -6.674 -12.505 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.070 -6.814 -12.164 1.00 0.00 H new ATOM 175 N LEU A 15 0.033 -9.900 -5.601 1.00 0.00 N ATOM 176 CA LEU A 15 0.434 -10.817 -4.540 1.00 0.00 C ATOM 177 C LEU A 15 -0.592 -11.932 -4.368 1.00 0.00 C ATOM 178 O LEU A 15 -1.745 -11.796 -4.775 1.00 0.00 O ATOM 179 CB LEU A 15 0.607 -10.059 -3.222 1.00 0.00 C ATOM 180 CG LEU A 15 1.590 -8.889 -3.245 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.394 -8.003 -2.024 1.00 0.00 C ATOM 182 CD2 LEU A 15 3.023 -9.397 -3.313 1.00 0.00 C ATOM 0 H LEU A 15 -0.957 -9.655 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 15 1.387 -11.265 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.368 -9.682 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.933 -10.766 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 15 1.394 -8.293 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.103 -7.175 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.377 -7.610 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.562 -8.588 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.709 -8.550 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.231 -10.017 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.157 -9.989 -4.219 1.00 0.00 H new ATOM 194 N GLU A 16 -0.164 -13.034 -3.760 1.00 0.00 N ATOM 195 CA GLU A 16 -1.046 -14.173 -3.533 1.00 0.00 C ATOM 196 C GLU A 16 -1.111 -14.523 -2.049 1.00 0.00 C ATOM 197 O GLU A 16 -0.170 -15.088 -1.491 1.00 0.00 O ATOM 198 CB GLU A 16 -0.568 -15.385 -4.335 1.00 0.00 C ATOM 199 CG GLU A 16 -0.694 -15.208 -5.838 1.00 0.00 C ATOM 200 CD GLU A 16 0.046 -13.986 -6.346 1.00 0.00 C ATOM 201 OE1 GLU A 16 1.217 -13.796 -5.955 1.00 0.00 O ATOM 202 OE2 GLU A 16 -0.546 -13.220 -7.135 1.00 0.00 O ATOM 0 H GLU A 16 0.788 -13.162 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.046 -13.898 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.474 -15.586 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.142 -16.260 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.308 -16.096 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.748 -15.126 -6.103 1.00 0.00 H new ATOM 209 N LYS A 17 -2.229 -14.185 -1.415 1.00 0.00 N ATOM 210 CA LYS A 17 -2.419 -14.464 0.003 1.00 0.00 C ATOM 211 C LYS A 17 -3.437 -15.581 0.206 1.00 0.00 C ATOM 212 O LYS A 17 -4.096 -16.013 -0.740 1.00 0.00 O ATOM 213 CB LYS A 17 -2.879 -13.201 0.735 1.00 0.00 C ATOM 214 CG LYS A 17 -4.387 -13.022 0.750 1.00 0.00 C ATOM 215 CD LYS A 17 -4.805 -11.881 1.662 1.00 0.00 C ATOM 216 CE LYS A 17 -4.705 -10.538 0.955 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.632 -9.406 1.920 1.00 0.00 N ATOM 0 H LYS A 17 -3.018 -13.717 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.463 -14.788 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.515 -13.234 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.423 -12.331 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.741 -12.828 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.861 -13.946 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.829 -12.040 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.174 -11.874 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.821 -10.529 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.569 -10.405 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.752 -8.507 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.386 -9.506 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.707 -9.414 2.395 1.00 0.00 H new ATOM 231 N ARG A 18 -3.561 -16.044 1.446 1.00 0.00 N ATOM 232 CA ARG A 18 -4.499 -17.111 1.773 1.00 0.00 C ATOM 233 C ARG A 18 -5.716 -16.559 2.509 1.00 0.00 C ATOM 234 O ARG A 18 -5.582 -15.883 3.529 1.00 0.00 O ATOM 235 CB ARG A 18 -3.813 -18.179 2.627 1.00 0.00 C ATOM 236 CG ARG A 18 -2.853 -19.060 1.846 1.00 0.00 C ATOM 237 CD ARG A 18 -2.715 -20.434 2.482 1.00 0.00 C ATOM 238 NE ARG A 18 -1.991 -21.366 1.621 1.00 0.00 N ATOM 239 CZ ARG A 18 -1.872 -22.664 1.880 1.00 0.00 C ATOM 240 NH1 ARG A 18 -2.425 -23.180 2.968 1.00 0.00 N ATOM 241 NH2 ARG A 18 -1.198 -23.448 1.048 1.00 0.00 N ATOM 0 H ARG A 18 -3.024 -15.697 2.240 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.835 -17.563 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.269 -17.691 3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.575 -18.807 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.207 -19.166 0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.875 -18.581 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.194 -20.342 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.705 -20.835 2.698 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.553 -21.001 0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.944 -22.581 3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.332 -24.177 3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.771 -23.054 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.107 -24.444 1.247 1.00 0.00 H new ATOM 255 N ARG A 19 -6.901 -16.851 1.985 1.00 0.00 N ATOM 256 CA ARG A 19 -8.141 -16.382 2.592 1.00 0.00 C ATOM 257 C ARG A 19 -8.055 -16.433 4.114 1.00 0.00 C ATOM 258 O ARG A 19 -7.894 -17.501 4.702 1.00 0.00 O ATOM 259 CB ARG A 19 -9.322 -17.227 2.109 1.00 0.00 C ATOM 260 CG ARG A 19 -10.635 -16.887 2.794 1.00 0.00 C ATOM 261 CD ARG A 19 -11.665 -17.989 2.602 1.00 0.00 C ATOM 262 NE ARG A 19 -12.976 -17.610 3.124 1.00 0.00 N ATOM 263 CZ ARG A 19 -14.035 -18.411 3.102 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.939 -19.629 2.587 1.00 0.00 N ATOM 265 NH2 ARG A 19 -15.194 -17.995 3.596 1.00 0.00 N ATOM 0 H ARG A 19 -7.029 -17.410 1.142 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.295 -15.347 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.438 -17.093 1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.097 -18.280 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.461 -16.731 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.024 -15.951 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.751 -18.224 1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.324 -18.895 3.102 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.084 -16.679 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.050 -19.953 2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.754 -20.242 2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.272 -17.059 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.007 -18.611 3.578 1.00 0.00 H new ATOM 279 N GLY A 20 -8.163 -15.268 4.747 1.00 0.00 N ATOM 280 CA GLY A 20 -8.094 -15.202 6.195 1.00 0.00 C ATOM 281 C GLY A 20 -6.673 -15.056 6.702 1.00 0.00 C ATOM 282 O GLY A 20 -6.372 -15.422 7.837 1.00 0.00 O ATOM 0 H GLY A 20 -8.297 -14.370 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.690 -14.360 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.537 -16.104 6.618 1.00 0.00 H new ATOM 286 N GLU A 21 -5.797 -14.521 5.856 1.00 0.00 N ATOM 287 CA GLU A 21 -4.399 -14.330 6.225 1.00 0.00 C ATOM 288 C GLU A 21 -4.020 -12.853 6.177 1.00 0.00 C ATOM 289 O GLU A 21 -3.960 -12.251 5.105 1.00 0.00 O ATOM 290 CB GLU A 21 -3.489 -15.133 5.293 1.00 0.00 C ATOM 291 CG GLU A 21 -2.007 -14.921 5.558 1.00 0.00 C ATOM 292 CD GLU A 21 -1.458 -15.880 6.597 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.501 -15.540 7.798 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.986 -16.969 6.209 1.00 0.00 O ATOM 0 H GLU A 21 -6.031 -14.213 4.912 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.267 -14.687 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.720 -16.193 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.708 -14.859 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.454 -15.044 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.844 -13.896 5.892 1.00 0.00 H new ATOM 301 N GLY A 22 -3.766 -12.274 7.347 1.00 0.00 N ATOM 302 CA GLY A 22 -3.396 -10.873 7.416 1.00 0.00 C ATOM 303 C GLY A 22 -2.428 -10.473 6.321 1.00 0.00 C ATOM 304 O GLY A 22 -1.328 -11.019 6.225 1.00 0.00 O ATOM 0 H GLY A 22 -3.810 -12.751 8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.294 -10.260 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.946 -10.667 8.387 1.00 0.00 H new ATOM 308 N LEU A 23 -2.836 -9.519 5.491 1.00 0.00 N ATOM 309 CA LEU A 23 -1.997 -9.048 4.395 1.00 0.00 C ATOM 310 C LEU A 23 -0.529 -9.015 4.809 1.00 0.00 C ATOM 311 O LEU A 23 0.356 -9.348 4.022 1.00 0.00 O ATOM 312 CB LEU A 23 -2.444 -7.655 3.947 1.00 0.00 C ATOM 313 CG LEU A 23 -2.176 -7.303 2.483 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.464 -5.832 2.227 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.740 -7.641 2.108 1.00 0.00 C ATOM 0 H LEU A 23 -3.743 -9.057 5.556 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.105 -9.743 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.514 -7.561 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.946 -6.916 4.575 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.843 -7.897 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.268 -5.600 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.508 -5.621 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.822 -5.220 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.567 -7.384 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.056 -7.074 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.568 -8.707 2.253 1.00 0.00 H new ATOM 327 N GLY A 24 -0.278 -8.612 6.051 1.00 0.00 N ATOM 328 CA GLY A 24 1.083 -8.544 6.548 1.00 0.00 C ATOM 329 C GLY A 24 1.797 -7.280 6.114 1.00 0.00 C ATOM 330 O GLY A 24 2.867 -7.339 5.508 1.00 0.00 O ATOM 0 H GLY A 24 -0.993 -8.331 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.072 -8.595 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.640 -9.412 6.194 1.00 0.00 H new ATOM 334 N VAL A 25 1.204 -6.131 6.423 1.00 0.00 N ATOM 335 CA VAL A 25 1.790 -4.846 6.060 1.00 0.00 C ATOM 336 C VAL A 25 1.443 -3.774 7.087 1.00 0.00 C ATOM 337 O VAL A 25 0.273 -3.557 7.401 1.00 0.00 O ATOM 338 CB VAL A 25 1.313 -4.384 4.670 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.166 -5.010 3.577 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.157 -4.725 4.472 1.00 0.00 C ATOM 0 H VAL A 25 0.318 -6.064 6.924 1.00 0.00 H new ATOM 0 HA VAL A 25 2.871 -4.986 6.037 1.00 0.00 H new ATOM 0 HB VAL A 25 1.423 -3.301 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.814 -4.672 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.206 -4.711 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.090 -6.096 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.478 -4.392 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.295 -5.803 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.753 -4.224 5.235 1.00 0.00 H new ATOM 350 N ALA A 26 2.468 -3.107 7.607 1.00 0.00 N ATOM 351 CA ALA A 26 2.271 -2.055 8.597 1.00 0.00 C ATOM 352 C ALA A 26 2.504 -0.677 7.987 1.00 0.00 C ATOM 353 O ALA A 26 3.622 -0.341 7.593 1.00 0.00 O ATOM 354 CB ALA A 26 3.195 -2.271 9.786 1.00 0.00 C ATOM 0 H ALA A 26 3.443 -3.276 7.359 1.00 0.00 H new ATOM 0 HA ALA A 26 1.238 -2.101 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.038 -1.479 10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.979 -3.236 10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.232 -2.253 9.449 1.00 0.00 H new ATOM 360 N LEU A 27 1.442 0.118 7.911 1.00 0.00 N ATOM 361 CA LEU A 27 1.531 1.461 7.348 1.00 0.00 C ATOM 362 C LEU A 27 1.376 2.519 8.436 1.00 0.00 C ATOM 363 O LEU A 27 1.049 2.204 9.580 1.00 0.00 O ATOM 364 CB LEU A 27 0.459 1.657 6.274 1.00 0.00 C ATOM 365 CG LEU A 27 0.234 0.477 5.328 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.198 0.470 4.814 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.218 0.527 4.168 1.00 0.00 C ATOM 0 H LEU A 27 0.510 -0.144 8.232 1.00 0.00 H new ATOM 0 HA LEU A 27 2.516 1.574 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.485 1.886 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.726 2.529 5.678 1.00 0.00 H new ATOM 0 HG LEU A 27 0.404 -0.446 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.339 -0.377 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.886 0.385 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.396 1.397 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.043 -0.321 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.080 1.455 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.237 0.482 4.553 1.00 0.00 H new ATOM 379 N VAL A 28 1.610 3.775 8.070 1.00 0.00 N ATOM 380 CA VAL A 28 1.493 4.880 9.014 1.00 0.00 C ATOM 381 C VAL A 28 0.910 6.118 8.341 1.00 0.00 C ATOM 382 O VAL A 28 0.563 6.089 7.161 1.00 0.00 O ATOM 383 CB VAL A 28 2.858 5.240 9.629 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.144 4.367 10.842 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.963 5.103 8.592 1.00 0.00 C ATOM 0 H VAL A 28 1.882 4.053 7.127 1.00 0.00 H new ATOM 0 HA VAL A 28 0.821 4.549 9.806 1.00 0.00 H new ATOM 0 HB VAL A 28 2.826 6.279 9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.113 4.636 11.263 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.367 4.520 11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.157 3.319 10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.920 5.361 9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.998 4.075 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.763 5.774 7.757 1.00 0.00 H new ATOM 395 N GLU A 29 0.806 7.204 9.101 1.00 0.00 N ATOM 396 CA GLU A 29 0.263 8.452 8.577 1.00 0.00 C ATOM 397 C GLU A 29 1.362 9.500 8.422 1.00 0.00 C ATOM 398 O GLU A 29 1.906 9.996 9.408 1.00 0.00 O ATOM 399 CB GLU A 29 -0.836 8.983 9.499 1.00 0.00 C ATOM 400 CG GLU A 29 -1.632 10.130 8.900 1.00 0.00 C ATOM 401 CD GLU A 29 -2.978 10.320 9.571 1.00 0.00 C ATOM 402 OE1 GLU A 29 -3.013 10.412 10.816 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.997 10.376 8.851 1.00 0.00 O ATOM 0 H GLU A 29 1.090 7.245 10.080 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.164 8.249 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.517 8.168 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.385 9.314 10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.055 11.051 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.783 9.946 7.836 1.00 0.00 H new ATOM 410 N SER A 30 1.684 9.831 7.175 1.00 0.00 N ATOM 411 CA SER A 30 2.721 10.815 6.889 1.00 0.00 C ATOM 412 C SER A 30 2.143 12.227 6.887 1.00 0.00 C ATOM 413 O SER A 30 0.928 12.413 6.946 1.00 0.00 O ATOM 414 CB SER A 30 3.377 10.519 5.539 1.00 0.00 C ATOM 415 OG SER A 30 2.613 11.054 4.472 1.00 0.00 O ATOM 0 H SER A 30 1.241 9.432 6.347 1.00 0.00 H new ATOM 0 HA SER A 30 3.475 10.750 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.381 10.942 5.519 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.482 9.442 5.411 1.00 0.00 H new ATOM 0 HG SER A 30 2.990 10.756 3.618 1.00 0.00 H new ATOM 421 N GLY A 31 3.024 13.221 6.820 1.00 0.00 N ATOM 422 CA GLY A 31 2.584 14.604 6.812 1.00 0.00 C ATOM 423 C GLY A 31 3.576 15.524 6.129 1.00 0.00 C ATOM 424 O GLY A 31 3.187 16.492 5.475 1.00 0.00 O ATOM 0 H GLY A 31 4.035 13.093 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.621 14.673 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.429 14.939 7.838 1.00 0.00 H new ATOM 428 N TRP A 32 4.861 15.223 6.281 1.00 0.00 N ATOM 429 CA TRP A 32 5.912 16.033 5.675 1.00 0.00 C ATOM 430 C TRP A 32 5.480 16.550 4.307 1.00 0.00 C ATOM 431 O TRP A 32 5.267 15.772 3.378 1.00 0.00 O ATOM 432 CB TRP A 32 7.199 15.217 5.542 1.00 0.00 C ATOM 433 CG TRP A 32 7.947 15.073 6.833 1.00 0.00 C ATOM 434 CD1 TRP A 32 7.821 14.063 7.744 1.00 0.00 C ATOM 435 CD2 TRP A 32 8.933 15.968 7.357 1.00 0.00 C ATOM 436 NE1 TRP A 32 8.670 14.277 8.803 1.00 0.00 N ATOM 437 CE2 TRP A 32 9.364 15.439 8.589 1.00 0.00 C ATOM 438 CE3 TRP A 32 9.496 17.165 6.905 1.00 0.00 C ATOM 439 CZ2 TRP A 32 10.329 16.066 9.372 1.00 0.00 C ATOM 440 CZ3 TRP A 32 10.454 17.786 7.683 1.00 0.00 C ATOM 441 CH2 TRP A 32 10.863 17.236 8.905 1.00 0.00 C ATOM 0 H TRP A 32 5.200 14.425 6.818 1.00 0.00 H new ATOM 0 HA TRP A 32 6.097 16.889 6.324 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.955 14.226 5.160 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.847 15.692 4.806 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.153 13.220 7.646 1.00 0.00 H new ATOM 0 HE1 TRP A 32 8.768 13.669 9.616 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.188 17.597 5.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.645 15.644 10.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.895 18.711 7.343 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.615 17.746 9.490 1.00 0.00 H new ATOM 452 N GLY A 33 5.354 17.868 4.190 1.00 0.00 N ATOM 453 CA GLY A 33 4.948 18.466 2.932 1.00 0.00 C ATOM 454 C GLY A 33 3.805 19.448 3.098 1.00 0.00 C ATOM 455 O GLY A 33 3.401 19.757 4.219 1.00 0.00 O ATOM 0 H GLY A 33 5.526 18.533 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.800 18.978 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.649 17.679 2.239 1.00 0.00 H new ATOM 459 N SER A 34 3.283 19.941 1.979 1.00 0.00 N ATOM 460 CA SER A 34 2.183 20.898 2.006 1.00 0.00 C ATOM 461 C SER A 34 0.873 20.231 1.597 1.00 0.00 C ATOM 462 O SER A 34 -0.141 20.353 2.287 1.00 0.00 O ATOM 463 CB SER A 34 2.481 22.076 1.077 1.00 0.00 C ATOM 464 OG SER A 34 1.650 23.184 1.375 1.00 0.00 O ATOM 0 H SER A 34 3.604 19.694 1.043 1.00 0.00 H new ATOM 0 HA SER A 34 2.080 21.267 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.527 22.365 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.331 21.773 0.041 1.00 0.00 H new ATOM 0 HG SER A 34 1.862 23.924 0.768 1.00 0.00 H new ATOM 470 N LEU A 35 0.901 19.527 0.472 1.00 0.00 N ATOM 471 CA LEU A 35 -0.284 18.840 -0.031 1.00 0.00 C ATOM 472 C LEU A 35 -0.732 17.749 0.936 1.00 0.00 C ATOM 473 O LEU A 35 -0.170 17.597 2.021 1.00 0.00 O ATOM 474 CB LEU A 35 -0.001 18.233 -1.406 1.00 0.00 C ATOM 475 CG LEU A 35 0.161 19.226 -2.558 1.00 0.00 C ATOM 476 CD1 LEU A 35 1.050 18.643 -3.645 1.00 0.00 C ATOM 477 CD2 LEU A 35 -1.198 19.609 -3.126 1.00 0.00 C ATOM 0 H LEU A 35 1.731 19.416 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.087 19.572 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.908 17.636 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.813 17.550 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 35 0.639 20.126 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.153 19.364 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.033 18.420 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.602 17.727 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.064 20.316 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.702 18.716 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.802 20.069 -2.344 1.00 0.00 H new ATOM 489 N LEU A 36 -1.746 16.991 0.536 1.00 0.00 N ATOM 490 CA LEU A 36 -2.270 15.911 1.366 1.00 0.00 C ATOM 491 C LEU A 36 -1.180 14.892 1.685 1.00 0.00 C ATOM 492 O LEU A 36 -0.166 14.795 0.994 1.00 0.00 O ATOM 493 CB LEU A 36 -3.439 15.220 0.662 1.00 0.00 C ATOM 494 CG LEU A 36 -4.814 15.858 0.862 1.00 0.00 C ATOM 495 CD1 LEU A 36 -5.433 15.394 2.171 1.00 0.00 C ATOM 496 CD2 LEU A 36 -4.708 17.376 0.829 1.00 0.00 C ATOM 0 H LEU A 36 -2.223 17.104 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.623 16.344 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.227 15.189 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.486 14.187 1.007 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.462 15.541 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.411 15.859 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.545 14.310 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.787 15.680 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.696 17.813 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.043 17.712 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.308 17.692 -0.135 1.00 0.00 H new ATOM 508 N PRO A 37 -1.393 14.113 2.755 1.00 0.00 N ATOM 509 CA PRO A 37 -0.441 13.086 3.189 1.00 0.00 C ATOM 510 C PRO A 37 -0.379 11.908 2.222 1.00 0.00 C ATOM 511 O PRO A 37 -1.165 11.824 1.277 1.00 0.00 O ATOM 512 CB PRO A 37 -0.996 12.637 4.543 1.00 0.00 C ATOM 513 CG PRO A 37 -2.453 12.940 4.475 1.00 0.00 C ATOM 514 CD PRO A 37 -2.580 14.174 3.625 1.00 0.00 C ATOM 0 HA PRO A 37 0.578 13.469 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.820 11.574 4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.518 13.172 5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.005 12.107 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.864 13.108 5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.503 14.170 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.588 15.080 4.231 1.00 0.00 H new ATOM 522 N THR A 38 0.560 10.999 2.463 1.00 0.00 N ATOM 523 CA THR A 38 0.725 9.827 1.613 1.00 0.00 C ATOM 524 C THR A 38 0.876 8.560 2.447 1.00 0.00 C ATOM 525 O THR A 38 1.348 8.605 3.583 1.00 0.00 O ATOM 526 CB THR A 38 1.951 9.969 0.691 1.00 0.00 C ATOM 527 OG1 THR A 38 3.140 10.114 1.476 1.00 0.00 O ATOM 528 CG2 THR A 38 1.798 11.169 -0.232 1.00 0.00 C ATOM 0 H THR A 38 1.218 11.052 3.240 1.00 0.00 H new ATOM 0 HA THR A 38 -0.174 9.752 1.001 1.00 0.00 H new ATOM 0 HB THR A 38 2.026 9.069 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.915 10.202 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.676 11.249 -0.873 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.908 11.043 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.700 12.076 0.364 1.00 0.00 H new ATOM 536 N ALA A 39 0.472 7.430 1.877 1.00 0.00 N ATOM 537 CA ALA A 39 0.564 6.149 2.567 1.00 0.00 C ATOM 538 C ALA A 39 1.973 5.574 2.470 1.00 0.00 C ATOM 539 O ALA A 39 2.465 5.289 1.378 1.00 0.00 O ATOM 540 CB ALA A 39 -0.449 5.168 1.997 1.00 0.00 C ATOM 0 H ALA A 39 0.077 7.375 0.938 1.00 0.00 H new ATOM 0 HA ALA A 39 0.339 6.315 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.369 4.216 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.455 5.569 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.251 5.015 0.936 1.00 0.00 H new ATOM 546 N VAL A 40 2.619 5.406 3.620 1.00 0.00 N ATOM 547 CA VAL A 40 3.972 4.865 3.665 1.00 0.00 C ATOM 548 C VAL A 40 4.044 3.639 4.569 1.00 0.00 C ATOM 549 O VAL A 40 3.435 3.609 5.639 1.00 0.00 O ATOM 550 CB VAL A 40 4.982 5.916 4.162 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.403 5.386 4.052 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.826 7.214 3.384 1.00 0.00 C ATOM 0 H VAL A 40 2.227 5.637 4.533 1.00 0.00 H new ATOM 0 HA VAL A 40 4.231 4.578 2.646 1.00 0.00 H new ATOM 0 HB VAL A 40 4.778 6.122 5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.102 6.143 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.503 4.486 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.623 5.149 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.547 7.945 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.002 7.027 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.816 7.601 3.521 1.00 0.00 H new ATOM 562 N ILE A 41 4.792 2.632 4.132 1.00 0.00 N ATOM 563 CA ILE A 41 4.945 1.404 4.903 1.00 0.00 C ATOM 564 C ILE A 41 5.870 1.616 6.097 1.00 0.00 C ATOM 565 O ILE A 41 7.065 1.864 5.933 1.00 0.00 O ATOM 566 CB ILE A 41 5.499 0.260 4.035 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.672 0.114 2.756 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.507 -1.044 4.819 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.328 -0.759 1.709 1.00 0.00 C ATOM 0 H ILE A 41 5.302 2.642 3.248 1.00 0.00 H new ATOM 0 HA ILE A 41 3.952 1.130 5.260 1.00 0.00 H new ATOM 0 HB ILE A 41 6.525 0.500 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.698 -0.305 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.494 1.103 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.901 -1.843 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.135 -0.933 5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.490 -1.291 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.686 -0.818 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.290 -0.330 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.482 -1.759 2.114 1.00 0.00 H new ATOM 581 N ALA A 42 5.311 1.516 7.298 1.00 0.00 N ATOM 582 CA ALA A 42 6.086 1.693 8.519 1.00 0.00 C ATOM 583 C ALA A 42 6.926 0.456 8.820 1.00 0.00 C ATOM 584 O ALA A 42 8.121 0.558 9.094 1.00 0.00 O ATOM 585 CB ALA A 42 5.164 2.005 9.689 1.00 0.00 C ATOM 0 H ALA A 42 4.323 1.313 7.451 1.00 0.00 H new ATOM 0 HA ALA A 42 6.764 2.533 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.757 2.135 10.595 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.611 2.922 9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.463 1.182 9.829 1.00 0.00 H new ATOM 591 N ASN A 43 6.292 -0.711 8.768 1.00 0.00 N ATOM 592 CA ASN A 43 6.982 -1.968 9.037 1.00 0.00 C ATOM 593 C ASN A 43 6.349 -3.113 8.253 1.00 0.00 C ATOM 594 O ASN A 43 5.213 -3.010 7.788 1.00 0.00 O ATOM 595 CB ASN A 43 6.950 -2.281 10.534 1.00 0.00 C ATOM 596 CG ASN A 43 7.846 -3.449 10.899 1.00 0.00 C ATOM 597 OD1 ASN A 43 9.066 -3.309 10.978 1.00 0.00 O ATOM 598 ND2 ASN A 43 7.241 -4.610 11.124 1.00 0.00 N ATOM 0 H ASN A 43 5.302 -0.813 8.542 1.00 0.00 H new ATOM 0 HA ASN A 43 8.019 -1.861 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.261 -1.399 11.094 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.926 -2.504 10.834 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.791 -5.432 11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.226 -4.680 11.047 1.00 0.00 H new ATOM 605 N LEU A 44 7.091 -4.206 8.110 1.00 0.00 N ATOM 606 CA LEU A 44 6.603 -5.373 7.383 1.00 0.00 C ATOM 607 C LEU A 44 7.013 -6.663 8.086 1.00 0.00 C ATOM 608 O LEU A 44 7.980 -6.687 8.848 1.00 0.00 O ATOM 609 CB LEU A 44 7.140 -5.367 5.951 1.00 0.00 C ATOM 610 CG LEU A 44 6.683 -4.205 5.068 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.268 -4.335 3.670 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.164 -4.145 5.009 1.00 0.00 C ATOM 0 H LEU A 44 8.033 -4.308 8.488 1.00 0.00 H new ATOM 0 HA LEU A 44 5.514 -5.325 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.229 -5.359 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.846 -6.300 5.470 1.00 0.00 H new ATOM 0 HG LEU A 44 7.046 -3.276 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.932 -3.500 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.356 -4.327 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.935 -5.271 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.857 -3.312 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.779 -5.077 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.766 -4.003 6.014 1.00 0.00 H new ATOM 624 N LEU A 45 6.272 -7.734 7.824 1.00 0.00 N ATOM 625 CA LEU A 45 6.559 -9.030 8.430 1.00 0.00 C ATOM 626 C LEU A 45 7.308 -9.933 7.455 1.00 0.00 C ATOM 627 O LEU A 45 6.738 -10.414 6.475 1.00 0.00 O ATOM 628 CB LEU A 45 5.261 -9.706 8.875 1.00 0.00 C ATOM 629 CG LEU A 45 5.400 -10.779 9.955 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.079 -10.977 10.683 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.877 -12.090 9.346 1.00 0.00 C ATOM 0 H LEU A 45 5.468 -7.731 7.196 1.00 0.00 H new ATOM 0 HA LEU A 45 7.192 -8.864 9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.581 -8.937 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.791 -10.157 8.001 1.00 0.00 H new ATOM 0 HG LEU A 45 6.144 -10.446 10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.197 -11.744 11.448 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.778 -10.040 11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.314 -11.289 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.970 -12.842 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.157 -12.429 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.846 -11.939 8.871 1.00 0.00 H new ATOM 643 N HIS A 46 8.588 -10.161 7.731 1.00 0.00 N ATOM 644 CA HIS A 46 9.414 -11.009 6.880 1.00 0.00 C ATOM 645 C HIS A 46 8.810 -12.405 6.753 1.00 0.00 C ATOM 646 O HIS A 46 9.166 -13.316 7.499 1.00 0.00 O ATOM 647 CB HIS A 46 10.833 -11.105 7.442 1.00 0.00 C ATOM 648 CG HIS A 46 11.712 -9.958 7.046 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.337 -9.007 6.121 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.954 -9.612 7.457 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.312 -8.126 5.979 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.305 -8.471 6.779 1.00 0.00 N ATOM 0 H HIS A 46 9.075 -9.770 8.537 1.00 0.00 H new ATOM 0 HA HIS A 46 9.453 -10.557 5.889 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.782 -11.154 8.530 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.288 -12.035 7.102 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.557 -10.136 8.184 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.299 -7.270 5.321 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.189 -7.971 6.877 1.00 0.00 H new ATOM 660 N GLY A 47 7.893 -12.564 5.803 1.00 0.00 N ATOM 661 CA GLY A 47 7.254 -13.850 5.596 1.00 0.00 C ATOM 662 C GLY A 47 5.828 -13.716 5.101 1.00 0.00 C ATOM 663 O GLY A 47 5.221 -14.692 4.662 1.00 0.00 O ATOM 0 H GLY A 47 7.582 -11.825 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.833 -14.428 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.260 -14.410 6.531 1.00 0.00 H new ATOM 667 N GLY A 48 5.290 -12.502 5.172 1.00 0.00 N ATOM 668 CA GLY A 48 3.929 -12.266 4.726 1.00 0.00 C ATOM 669 C GLY A 48 3.777 -12.420 3.225 1.00 0.00 C ATOM 670 O GLY A 48 4.751 -12.612 2.497 1.00 0.00 O ATOM 0 H GLY A 48 5.772 -11.678 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.259 -12.963 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.623 -11.261 5.018 1.00 0.00 H new ATOM 674 N PRO A 49 2.528 -12.339 2.742 1.00 0.00 N ATOM 675 CA PRO A 49 2.222 -12.469 1.315 1.00 0.00 C ATOM 676 C PRO A 49 2.718 -11.277 0.504 1.00 0.00 C ATOM 677 O PRO A 49 3.024 -11.404 -0.681 1.00 0.00 O ATOM 678 CB PRO A 49 0.693 -12.536 1.285 1.00 0.00 C ATOM 679 CG PRO A 49 0.258 -11.833 2.524 1.00 0.00 C ATOM 680 CD PRO A 49 1.319 -12.112 3.552 1.00 0.00 C ATOM 0 HA PRO A 49 2.710 -13.337 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.293 -12.052 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.342 -13.568 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.156 -10.762 2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.714 -12.196 2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.446 -11.273 4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.072 -12.984 4.158 1.00 0.00 H new ATOM 688 N ALA A 50 2.797 -10.119 1.151 1.00 0.00 N ATOM 689 CA ALA A 50 3.259 -8.905 0.490 1.00 0.00 C ATOM 690 C ALA A 50 4.767 -8.734 0.646 1.00 0.00 C ATOM 691 O ALA A 50 5.435 -8.202 -0.239 1.00 0.00 O ATOM 692 CB ALA A 50 2.529 -7.691 1.045 1.00 0.00 C ATOM 0 H ALA A 50 2.547 -9.996 2.132 1.00 0.00 H new ATOM 0 HA ALA A 50 3.038 -8.994 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.884 -6.792 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.458 -7.802 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.721 -7.608 2.115 1.00 0.00 H new ATOM 698 N GLU A 51 5.295 -9.189 1.778 1.00 0.00 N ATOM 699 CA GLU A 51 6.724 -9.085 2.050 1.00 0.00 C ATOM 700 C GLU A 51 7.506 -10.124 1.252 1.00 0.00 C ATOM 701 O GLU A 51 8.632 -9.873 0.822 1.00 0.00 O ATOM 702 CB GLU A 51 6.996 -9.262 3.545 1.00 0.00 C ATOM 703 CG GLU A 51 8.424 -8.937 3.946 1.00 0.00 C ATOM 704 CD GLU A 51 8.842 -7.538 3.536 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.018 -7.305 2.322 1.00 0.00 O ATOM 706 OE2 GLU A 51 8.992 -6.677 4.428 1.00 0.00 O ATOM 0 H GLU A 51 4.755 -9.633 2.521 1.00 0.00 H new ATOM 0 HA GLU A 51 7.055 -8.093 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.315 -8.623 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.774 -10.291 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.526 -9.041 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.099 -9.662 3.491 1.00 0.00 H new ATOM 713 N ARG A 52 6.902 -11.292 1.060 1.00 0.00 N ATOM 714 CA ARG A 52 7.542 -12.371 0.317 1.00 0.00 C ATOM 715 C ARG A 52 7.920 -11.912 -1.089 1.00 0.00 C ATOM 716 O ARG A 52 8.856 -12.437 -1.693 1.00 0.00 O ATOM 717 CB ARG A 52 6.613 -13.584 0.236 1.00 0.00 C ATOM 718 CG ARG A 52 5.329 -13.318 -0.532 1.00 0.00 C ATOM 719 CD ARG A 52 4.656 -14.613 -0.959 1.00 0.00 C ATOM 720 NE ARG A 52 5.493 -15.391 -1.869 1.00 0.00 N ATOM 721 CZ ARG A 52 5.023 -16.344 -2.666 1.00 0.00 C ATOM 722 NH1 ARG A 52 3.730 -16.635 -2.665 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.848 -17.007 -3.466 1.00 0.00 N ATOM 0 H ARG A 52 5.970 -11.515 1.409 1.00 0.00 H new ATOM 0 HA ARG A 52 8.452 -12.654 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.146 -14.408 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.362 -13.907 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.646 -12.739 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.549 -12.714 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.427 -15.211 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.707 -14.385 -1.445 1.00 0.00 H new ATOM 0 HE ARG A 52 6.493 -15.192 -1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.093 -16.127 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.372 -17.367 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.844 -16.785 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.487 -17.739 -4.078 1.00 0.00 H new ATOM 737 N SER A 53 7.187 -10.930 -1.603 1.00 0.00 N ATOM 738 CA SER A 53 7.443 -10.403 -2.938 1.00 0.00 C ATOM 739 C SER A 53 8.906 -9.997 -3.091 1.00 0.00 C ATOM 740 O SER A 53 9.539 -10.284 -4.105 1.00 0.00 O ATOM 741 CB SER A 53 6.536 -9.204 -3.219 1.00 0.00 C ATOM 742 OG SER A 53 6.999 -8.046 -2.545 1.00 0.00 O ATOM 0 H SER A 53 6.411 -10.483 -1.115 1.00 0.00 H new ATOM 0 HA SER A 53 7.226 -11.190 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.500 -9.014 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.518 -9.431 -2.901 1.00 0.00 H new ATOM 0 HG SER A 53 6.530 -7.956 -1.689 1.00 0.00 H new ATOM 748 N GLY A 54 9.436 -9.325 -2.073 1.00 0.00 N ATOM 749 CA GLY A 54 10.819 -8.889 -2.113 1.00 0.00 C ATOM 750 C GLY A 54 10.970 -7.490 -2.676 1.00 0.00 C ATOM 751 O GLY A 54 11.891 -6.761 -2.307 1.00 0.00 O ATOM 0 H GLY A 54 8.932 -9.075 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.235 -8.919 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.399 -9.586 -2.719 1.00 0.00 H new ATOM 755 N ALA A 55 10.065 -7.114 -3.574 1.00 0.00 N ATOM 756 CA ALA A 55 10.102 -5.793 -4.189 1.00 0.00 C ATOM 757 C ALA A 55 9.539 -4.733 -3.248 1.00 0.00 C ATOM 758 O ALA A 55 10.038 -3.609 -3.193 1.00 0.00 O ATOM 759 CB ALA A 55 9.330 -5.800 -5.500 1.00 0.00 C ATOM 0 H ALA A 55 9.297 -7.706 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 55 11.143 -5.544 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.366 -4.807 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.778 -6.523 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.293 -6.075 -5.310 1.00 0.00 H new ATOM 765 N LEU A 56 8.497 -5.098 -2.509 1.00 0.00 N ATOM 766 CA LEU A 56 7.866 -4.178 -1.569 1.00 0.00 C ATOM 767 C LEU A 56 8.542 -4.245 -0.204 1.00 0.00 C ATOM 768 O LEU A 56 8.461 -5.258 0.491 1.00 0.00 O ATOM 769 CB LEU A 56 6.377 -4.502 -1.431 1.00 0.00 C ATOM 770 CG LEU A 56 5.638 -4.830 -2.728 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.431 -5.711 -2.447 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.214 -3.553 -3.438 1.00 0.00 C ATOM 0 H LEU A 56 8.071 -6.024 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 56 7.977 -3.166 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.271 -5.348 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.883 -3.652 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 56 6.317 -5.377 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.918 -5.934 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.759 -6.641 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.749 -5.191 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.689 -3.806 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.552 -2.979 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.096 -2.958 -3.675 1.00 0.00 H new ATOM 784 N SER A 57 9.207 -3.159 0.176 1.00 0.00 N ATOM 785 CA SER A 57 9.898 -3.094 1.458 1.00 0.00 C ATOM 786 C SER A 57 9.605 -1.776 2.168 1.00 0.00 C ATOM 787 O SER A 57 9.172 -0.806 1.545 1.00 0.00 O ATOM 788 CB SER A 57 11.407 -3.253 1.256 1.00 0.00 C ATOM 789 OG SER A 57 11.898 -2.310 0.320 1.00 0.00 O ATOM 0 H SER A 57 9.282 -2.311 -0.386 1.00 0.00 H new ATOM 0 HA SER A 57 9.533 -3.911 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.920 -3.125 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.626 -4.263 0.909 1.00 0.00 H new ATOM 0 HG SER A 57 12.864 -2.431 0.210 1.00 0.00 H new ATOM 795 N ILE A 58 9.844 -1.750 3.475 1.00 0.00 N ATOM 796 CA ILE A 58 9.606 -0.551 4.270 1.00 0.00 C ATOM 797 C ILE A 58 10.055 0.701 3.524 1.00 0.00 C ATOM 798 O ILE A 58 11.187 0.782 3.049 1.00 0.00 O ATOM 799 CB ILE A 58 10.339 -0.619 5.623 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.871 -1.839 6.420 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.107 0.659 6.415 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.712 -2.118 7.646 1.00 0.00 C ATOM 0 H ILE A 58 10.202 -2.544 4.005 1.00 0.00 H new ATOM 0 HA ILE A 58 8.532 -0.499 4.449 1.00 0.00 H new ATOM 0 HB ILE A 58 11.408 -0.719 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.836 -1.688 6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.887 -2.715 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.631 0.596 7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.484 1.511 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.040 0.787 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.323 -2.996 8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.744 -2.301 7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.676 -1.258 8.315 1.00 0.00 H new ATOM 814 N GLY A 59 9.158 1.678 3.427 1.00 0.00 N ATOM 815 CA GLY A 59 9.480 2.915 2.740 1.00 0.00 C ATOM 816 C GLY A 59 8.558 3.183 1.567 1.00 0.00 C ATOM 817 O GLY A 59 7.926 4.237 1.494 1.00 0.00 O ATOM 0 H GLY A 59 8.214 1.635 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.418 3.745 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.510 2.873 2.386 1.00 0.00 H new ATOM 821 N ASP A 60 8.483 2.230 0.645 1.00 0.00 N ATOM 822 CA ASP A 60 7.632 2.368 -0.531 1.00 0.00 C ATOM 823 C ASP A 60 6.278 2.960 -0.155 1.00 0.00 C ATOM 824 O ASP A 60 5.665 2.555 0.833 1.00 0.00 O ATOM 825 CB ASP A 60 7.439 1.011 -1.210 1.00 0.00 C ATOM 826 CG ASP A 60 8.535 0.703 -2.211 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.655 1.232 -2.046 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.274 -0.068 -3.157 1.00 0.00 O ATOM 0 H ASP A 60 9.002 1.353 0.689 1.00 0.00 H new ATOM 0 HA ASP A 60 8.124 3.047 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.414 0.229 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.474 0.995 -1.716 1.00 0.00 H new ATOM 833 N ARG A 61 5.817 3.922 -0.948 1.00 0.00 N ATOM 834 CA ARG A 61 4.536 4.572 -0.698 1.00 0.00 C ATOM 835 C ARG A 61 3.418 3.888 -1.478 1.00 0.00 C ATOM 836 O ARG A 61 3.599 3.502 -2.634 1.00 0.00 O ATOM 837 CB ARG A 61 4.608 6.052 -1.078 1.00 0.00 C ATOM 838 CG ARG A 61 3.248 6.682 -1.328 1.00 0.00 C ATOM 839 CD ARG A 61 2.825 6.537 -2.782 1.00 0.00 C ATOM 840 NE ARG A 61 3.321 7.633 -3.609 1.00 0.00 N ATOM 841 CZ ARG A 61 2.704 8.805 -3.722 1.00 0.00 C ATOM 842 NH1 ARG A 61 1.575 9.030 -3.065 1.00 0.00 N ATOM 843 NH2 ARG A 61 3.218 9.754 -4.495 1.00 0.00 N ATOM 0 H ARG A 61 6.312 4.269 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 61 4.316 4.488 0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.112 6.599 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.219 6.159 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.505 6.213 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.281 7.738 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.196 5.590 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.737 6.502 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 61 4.188 7.492 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.177 8.303 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.104 9.930 -3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.086 9.584 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.744 10.653 -4.582 1.00 0.00 H new ATOM 857 N LEU A 62 2.262 3.741 -0.840 1.00 0.00 N ATOM 858 CA LEU A 62 1.113 3.103 -1.474 1.00 0.00 C ATOM 859 C LEU A 62 0.167 4.146 -2.061 1.00 0.00 C ATOM 860 O LEU A 62 -0.115 5.168 -1.434 1.00 0.00 O ATOM 861 CB LEU A 62 0.366 2.232 -0.463 1.00 0.00 C ATOM 862 CG LEU A 62 -0.777 1.385 -1.022 1.00 0.00 C ATOM 863 CD1 LEU A 62 -0.957 0.120 -0.197 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.068 2.189 -1.058 1.00 0.00 C ATOM 0 H LEU A 62 2.095 4.055 0.116 1.00 0.00 H new ATOM 0 HA LEU A 62 1.479 2.474 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.085 1.566 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.036 2.879 0.317 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.524 1.096 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.775 -0.470 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.038 -0.465 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.187 0.388 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.871 1.570 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.326 2.509 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.934 3.065 -1.693 1.00 0.00 H new ATOM 876 N THR A 63 -0.323 3.880 -3.268 1.00 0.00 N ATOM 877 CA THR A 63 -1.239 4.794 -3.939 1.00 0.00 C ATOM 878 C THR A 63 -2.675 4.289 -3.862 1.00 0.00 C ATOM 879 O THR A 63 -3.612 5.073 -3.714 1.00 0.00 O ATOM 880 CB THR A 63 -0.854 4.989 -5.418 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.062 3.772 -6.143 1.00 0.00 O ATOM 882 CG2 THR A 63 0.599 5.420 -5.546 1.00 0.00 C ATOM 0 H THR A 63 -0.101 3.039 -3.801 1.00 0.00 H new ATOM 0 HA THR A 63 -1.166 5.751 -3.422 1.00 0.00 H new ATOM 0 HB THR A 63 -1.487 5.772 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.509 3.062 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.848 5.552 -6.599 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.747 6.362 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.245 4.656 -5.113 1.00 0.00 H new ATOM 890 N ALA A 64 -2.841 2.974 -3.962 1.00 0.00 N ATOM 891 CA ALA A 64 -4.163 2.364 -3.901 1.00 0.00 C ATOM 892 C ALA A 64 -4.065 0.865 -3.640 1.00 0.00 C ATOM 893 O ALA A 64 -2.969 0.317 -3.521 1.00 0.00 O ATOM 894 CB ALA A 64 -4.926 2.628 -5.191 1.00 0.00 C ATOM 0 H ALA A 64 -2.076 2.311 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.706 2.816 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.912 2.167 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.036 3.703 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.377 2.204 -6.032 1.00 0.00 H new ATOM 900 N ILE A 65 -5.216 0.208 -3.551 1.00 0.00 N ATOM 901 CA ILE A 65 -5.259 -1.228 -3.304 1.00 0.00 C ATOM 902 C ILE A 65 -6.366 -1.893 -4.115 1.00 0.00 C ATOM 903 O ILE A 65 -7.550 -1.705 -3.838 1.00 0.00 O ATOM 904 CB ILE A 65 -5.476 -1.536 -1.811 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.241 -1.137 -1.000 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.790 -3.012 -1.615 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.510 -0.995 0.481 1.00 0.00 C ATOM 0 H ILE A 65 -6.132 0.647 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.294 -1.630 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.325 -0.953 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.462 -1.884 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.855 -0.192 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.941 -3.214 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.695 -3.268 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.959 -3.613 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.590 -0.711 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.267 -0.227 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.867 -1.945 0.879 1.00 0.00 H new ATOM 919 N ASN A 66 -5.972 -2.672 -5.117 1.00 0.00 N ATOM 920 CA ASN A 66 -6.931 -3.367 -5.968 1.00 0.00 C ATOM 921 C ASN A 66 -7.808 -2.373 -6.723 1.00 0.00 C ATOM 922 O ASN A 66 -8.957 -2.667 -7.051 1.00 0.00 O ATOM 923 CB ASN A 66 -7.805 -4.302 -5.129 1.00 0.00 C ATOM 924 CG ASN A 66 -7.018 -5.458 -4.543 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.273 -6.138 -5.250 1.00 0.00 O ATOM 926 ND2 ASN A 66 -7.181 -5.687 -3.246 1.00 0.00 N ATOM 0 H ASN A 66 -4.995 -2.838 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.373 -3.957 -6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.268 -3.735 -4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.613 -4.693 -5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.678 -6.452 -2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.809 -5.098 -2.699 1.00 0.00 H new ATOM 933 N GLY A 67 -7.258 -1.193 -6.995 1.00 0.00 N ATOM 934 CA GLY A 67 -8.003 -0.174 -7.709 1.00 0.00 C ATOM 935 C GLY A 67 -8.806 0.716 -6.780 1.00 0.00 C ATOM 936 O GLY A 67 -9.956 1.050 -7.066 1.00 0.00 O ATOM 0 H GLY A 67 -6.309 -0.925 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.312 0.439 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.676 -0.652 -8.421 1.00 0.00 H new ATOM 940 N THR A 68 -8.199 1.100 -5.661 1.00 0.00 N ATOM 941 CA THR A 68 -8.865 1.953 -4.685 1.00 0.00 C ATOM 942 C THR A 68 -7.995 3.149 -4.316 1.00 0.00 C ATOM 943 O THR A 68 -7.233 3.101 -3.350 1.00 0.00 O ATOM 944 CB THR A 68 -9.216 1.174 -3.404 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.170 0.148 -3.700 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.778 2.105 -2.341 1.00 0.00 C ATOM 0 H THR A 68 -7.247 0.834 -5.409 1.00 0.00 H new ATOM 0 HA THR A 68 -9.785 2.306 -5.150 1.00 0.00 H new ATOM 0 HB THR A 68 -8.303 0.720 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.704 -0.704 -3.833 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.018 1.532 -1.446 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.038 2.867 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.681 2.585 -2.718 1.00 0.00 H new ATOM 954 N SER A 69 -8.113 4.223 -5.091 1.00 0.00 N ATOM 955 CA SER A 69 -7.334 5.431 -4.847 1.00 0.00 C ATOM 956 C SER A 69 -7.349 5.798 -3.366 1.00 0.00 C ATOM 957 O SER A 69 -8.313 6.381 -2.869 1.00 0.00 O ATOM 958 CB SER A 69 -7.882 6.593 -5.678 1.00 0.00 C ATOM 959 OG SER A 69 -8.344 6.144 -6.940 1.00 0.00 O ATOM 0 H SER A 69 -8.741 4.281 -5.893 1.00 0.00 H new ATOM 0 HA SER A 69 -6.304 5.235 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.697 7.076 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.104 7.343 -5.818 1.00 0.00 H new ATOM 0 HG SER A 69 -8.691 6.905 -7.451 1.00 0.00 H new ATOM 965 N LEU A 70 -6.275 5.451 -2.666 1.00 0.00 N ATOM 966 CA LEU A 70 -6.163 5.743 -1.241 1.00 0.00 C ATOM 967 C LEU A 70 -5.473 7.084 -1.013 1.00 0.00 C ATOM 968 O LEU A 70 -5.581 7.674 0.062 1.00 0.00 O ATOM 969 CB LEU A 70 -5.389 4.631 -0.532 1.00 0.00 C ATOM 970 CG LEU A 70 -6.176 3.357 -0.222 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.246 2.264 0.281 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.269 3.641 0.798 1.00 0.00 C ATOM 0 H LEU A 70 -5.469 4.967 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.169 5.798 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.531 4.363 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.997 5.029 0.404 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.646 3.010 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.824 1.365 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.500 2.042 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.747 2.601 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.819 2.723 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.820 4.012 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.952 4.391 0.400 1.00 0.00 H new ATOM 984 N VAL A 71 -4.766 7.561 -2.032 1.00 0.00 N ATOM 985 CA VAL A 71 -4.061 8.835 -1.944 1.00 0.00 C ATOM 986 C VAL A 71 -5.013 9.965 -1.569 1.00 0.00 C ATOM 987 O VAL A 71 -5.915 10.309 -2.330 1.00 0.00 O ATOM 988 CB VAL A 71 -3.365 9.184 -3.273 1.00 0.00 C ATOM 989 CG1 VAL A 71 -2.842 10.612 -3.242 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.240 8.201 -3.559 1.00 0.00 C ATOM 0 H VAL A 71 -4.666 7.085 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.306 8.726 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.096 9.108 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.353 10.841 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.673 11.300 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.125 10.719 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.759 8.462 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.507 8.243 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.647 7.192 -3.627 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.805 10.539 -0.388 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.652 11.626 0.068 1.00 0.00 C ATOM 1002 C GLY A 72 -6.473 11.248 1.286 1.00 0.00 C ATOM 1003 O GLY A 72 -6.682 12.068 2.181 1.00 0.00 O ATOM 0 H GLY A 72 -4.065 10.271 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.032 12.491 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.321 11.925 -0.739 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.942 10.006 1.319 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.747 9.522 2.435 1.00 0.00 C ATOM 1009 C LEU A 73 -6.909 9.414 3.705 1.00 0.00 C ATOM 1010 O LEU A 73 -5.683 9.306 3.661 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.357 8.161 2.096 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.607 8.186 1.215 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.897 6.800 0.660 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.802 8.709 1.999 1.00 0.00 C ATOM 0 H LEU A 73 -6.779 9.316 0.586 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.548 10.240 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.597 7.559 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.604 7.654 3.029 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.424 8.859 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.790 6.838 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.050 6.463 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.059 6.105 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.682 8.720 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.986 8.061 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.594 9.721 2.347 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.584 9.442 4.864 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.921 9.346 6.168 1.00 0.00 C ATOM 1028 C PRO A 74 -6.344 7.958 6.424 1.00 0.00 C ATOM 1029 O PRO A 74 -6.800 6.969 5.848 1.00 0.00 O ATOM 1030 CB PRO A 74 -8.046 9.649 7.160 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.296 9.272 6.443 1.00 0.00 C ATOM 1032 CD PRO A 74 -9.045 9.569 4.990 1.00 0.00 C ATOM 0 HA PRO A 74 -6.072 10.025 6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.928 9.075 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.053 10.702 7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.528 8.217 6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.147 9.841 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.567 8.867 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.386 10.568 4.719 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.340 7.891 7.292 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.701 6.623 7.625 1.00 0.00 C ATOM 1042 C LEU A 75 -5.743 5.541 7.890 1.00 0.00 C ATOM 1043 O LEU A 75 -5.648 4.432 7.364 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.800 6.790 8.850 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.197 5.506 9.420 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.264 4.859 8.408 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.461 5.794 10.720 1.00 0.00 C ATOM 0 H LEU A 75 -4.951 8.700 7.777 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.094 6.316 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.985 7.465 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.377 7.277 9.636 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.008 4.809 9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.844 3.947 8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.821 4.616 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.457 5.550 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.038 4.869 11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.659 6.509 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.157 6.211 11.448 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.738 5.871 8.706 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.800 4.930 9.037 1.00 0.00 C ATOM 1061 C ALA A 76 -8.281 4.187 7.795 1.00 0.00 C ATOM 1062 O ALA A 76 -8.267 2.957 7.751 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.959 5.654 9.704 1.00 0.00 C ATOM 0 H ALA A 76 -6.831 6.784 9.151 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.397 4.196 9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.745 4.938 9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.611 6.133 10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.354 6.411 9.026 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.709 4.942 6.789 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.193 4.355 5.546 1.00 0.00 C ATOM 1071 C ALA A 77 -8.226 3.299 5.023 1.00 0.00 C ATOM 1072 O ALA A 77 -8.638 2.213 4.616 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.410 5.439 4.500 1.00 0.00 C ATOM 0 H ALA A 77 -8.730 5.962 6.811 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.146 3.867 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.772 4.986 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.146 6.155 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.468 5.953 4.308 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.938 3.625 5.037 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.911 2.704 4.562 1.00 0.00 C ATOM 1081 C CYS A 78 -5.814 1.483 5.471 1.00 0.00 C ATOM 1082 O CYS A 78 -5.694 0.354 4.997 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.557 3.411 4.491 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.515 4.813 3.351 1.00 0.00 S ATOM 0 H CYS A 78 -6.580 4.520 5.372 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.191 2.369 3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.288 3.759 5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.798 2.689 4.190 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.330 5.346 3.363 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.866 1.719 6.778 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.781 0.637 7.752 1.00 0.00 C ATOM 1092 C GLN A 79 -6.988 -0.289 7.643 1.00 0.00 C ATOM 1093 O GLN A 79 -6.902 -1.476 7.956 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.686 1.206 9.169 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.262 1.503 9.611 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.201 2.502 10.749 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.195 3.153 11.074 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.031 2.630 11.363 1.00 0.00 N ATOM 0 H GLN A 79 -5.966 2.648 7.186 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.882 0.059 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.273 2.123 9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.134 0.498 9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.781 0.575 9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.695 1.888 8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.233 2.071 11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.930 3.287 12.136 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.113 0.262 7.199 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.337 -0.515 7.048 1.00 0.00 C ATOM 1109 C ALA A 80 -9.353 -1.259 5.716 1.00 0.00 C ATOM 1110 O ALA A 80 -9.778 -2.411 5.644 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.554 0.389 7.164 1.00 0.00 C ATOM 0 H ALA A 80 -8.202 1.244 6.938 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.370 -1.254 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.461 -0.205 7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.557 0.871 8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.518 1.150 6.384 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.888 -0.592 4.665 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.849 -1.191 3.337 1.00 0.00 C ATOM 1119 C ALA A 81 -7.758 -2.252 3.246 1.00 0.00 C ATOM 1120 O ALA A 81 -7.927 -3.275 2.581 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.633 -0.117 2.280 1.00 0.00 C ATOM 0 H ALA A 81 -8.533 0.363 4.708 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.808 -1.676 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.606 -0.578 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.450 0.604 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.689 0.394 2.468 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.638 -2.003 3.917 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.520 -2.938 3.912 1.00 0.00 C ATOM 1129 C VAL A 82 -5.813 -4.151 4.789 1.00 0.00 C ATOM 1130 O VAL A 82 -5.207 -5.210 4.624 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.224 -2.266 4.401 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.301 -1.980 5.893 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.018 -3.135 4.078 1.00 0.00 C ATOM 0 H VAL A 82 -6.481 -1.161 4.471 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.385 -3.263 2.881 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.109 -1.316 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.376 -1.505 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.141 -1.315 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.441 -2.915 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.111 -2.644 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.123 -4.101 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.954 -3.283 3.000 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.746 -3.988 5.721 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.119 -5.069 6.625 1.00 0.00 C ATOM 1145 C ARG A 83 -8.229 -5.925 6.020 1.00 0.00 C ATOM 1146 O ARG A 83 -8.228 -7.147 6.160 1.00 0.00 O ATOM 1147 CB ARG A 83 -7.573 -4.503 7.971 1.00 0.00 C ATOM 1148 CG ARG A 83 -6.432 -4.253 8.943 1.00 0.00 C ATOM 1149 CD ARG A 83 -5.877 -5.556 9.498 1.00 0.00 C ATOM 1150 NE ARG A 83 -4.922 -5.327 10.579 1.00 0.00 N ATOM 1151 CZ ARG A 83 -3.988 -6.204 10.932 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -3.884 -7.360 10.292 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -3.156 -5.924 11.927 1.00 0.00 N ATOM 0 H ARG A 83 -7.257 -3.118 5.870 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.242 -5.698 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.106 -3.567 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.282 -5.195 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.637 -3.703 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.782 -3.627 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.698 -6.173 9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.391 -6.114 8.697 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.975 -4.446 11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.522 -7.578 9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.166 -8.031 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.233 -5.035 12.421 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.439 -6.598 12.197 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.173 -5.272 5.350 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.289 -5.973 4.726 1.00 0.00 C ATOM 1169 C GLU A 84 -9.792 -6.952 3.666 1.00 0.00 C ATOM 1170 O GLU A 84 -10.481 -7.912 3.317 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.261 -4.973 4.096 1.00 0.00 C ATOM 1172 CG GLU A 84 -10.937 -4.637 2.650 1.00 0.00 C ATOM 1173 CD GLU A 84 -11.901 -3.629 2.055 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.465 -2.822 2.824 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -12.091 -3.647 0.821 1.00 0.00 O ATOM 0 H GLU A 84 -9.187 -4.260 5.225 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.810 -6.536 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.271 -5.379 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.256 -4.055 4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.923 -4.242 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.959 -5.550 2.055 1.00 0.00 H new ATOM 1182 N THR A 85 -8.590 -6.703 3.155 1.00 0.00 N ATOM 1183 CA THR A 85 -8.001 -7.559 2.134 1.00 0.00 C ATOM 1184 C THR A 85 -7.611 -8.915 2.712 1.00 0.00 C ATOM 1185 O THR A 85 -7.262 -9.839 1.976 1.00 0.00 O ATOM 1186 CB THR A 85 -6.757 -6.906 1.502 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.736 -6.737 2.492 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.106 -5.558 0.890 1.00 0.00 C ATOM 0 H THR A 85 -8.005 -5.914 3.432 1.00 0.00 H new ATOM 0 HA THR A 85 -8.759 -7.700 1.364 1.00 0.00 H new ATOM 0 HB THR A 85 -6.391 -7.562 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.975 -5.994 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.212 -5.116 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.862 -5.694 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.494 -4.896 1.664 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.671 -9.029 4.034 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.326 -10.273 4.712 1.00 0.00 C ATOM 1198 C LYS A 86 -8.210 -11.418 4.230 1.00 0.00 C ATOM 1199 O LYS A 86 -7.901 -12.589 4.453 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.468 -10.108 6.227 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.068 -11.345 7.013 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.409 -11.202 8.487 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.108 -12.481 9.255 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.104 -12.256 10.727 1.00 0.00 N ATOM 0 H LYS A 86 -7.956 -8.274 4.658 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.290 -10.512 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.855 -9.267 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.503 -9.857 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.577 -12.218 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.998 -11.518 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.840 -10.377 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.464 -10.951 8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.851 -13.238 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.139 -12.871 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.895 -13.151 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.377 -11.552 10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.037 -11.908 11.027 1.00 0.00 H new ATOM 1218 N SER A 87 -9.309 -11.074 3.566 1.00 0.00 N ATOM 1219 CA SER A 87 -10.238 -12.074 3.054 1.00 0.00 C ATOM 1220 C SER A 87 -9.802 -12.566 1.677 1.00 0.00 C ATOM 1221 O SER A 87 -9.571 -13.759 1.478 1.00 0.00 O ATOM 1222 CB SER A 87 -11.652 -11.495 2.976 1.00 0.00 C ATOM 1223 OG SER A 87 -12.216 -11.352 4.268 1.00 0.00 O ATOM 0 H SER A 87 -9.578 -10.110 3.370 1.00 0.00 H new ATOM 0 HA SER A 87 -10.237 -12.920 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.625 -10.526 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.282 -12.146 2.371 1.00 0.00 H new ATOM 0 HG SER A 87 -13.119 -10.979 4.191 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.691 -11.639 0.732 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.283 -11.978 -0.626 1.00 0.00 C ATOM 1231 C GLN A 88 -7.949 -12.718 -0.625 1.00 0.00 C ATOM 1232 O GLN A 88 -7.138 -12.558 0.287 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.177 -10.714 -1.481 1.00 0.00 C ATOM 1234 CG GLN A 88 -8.287 -9.642 -0.874 1.00 0.00 C ATOM 1235 CD GLN A 88 -8.494 -8.282 -1.511 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -7.817 -7.926 -2.477 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -9.433 -7.512 -0.973 1.00 0.00 N ATOM 0 H GLN A 88 -9.878 -10.647 0.881 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.042 -12.634 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.790 -10.982 -2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.175 -10.303 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.486 -9.572 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.243 -9.936 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.970 -7.847 -0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.617 -6.586 -1.360 1.00 0.00 H new ATOM 1246 N THR A 89 -7.728 -13.530 -1.654 1.00 0.00 N ATOM 1247 CA THR A 89 -6.493 -14.296 -1.772 1.00 0.00 C ATOM 1248 C THR A 89 -5.508 -13.610 -2.711 1.00 0.00 C ATOM 1249 O THR A 89 -4.394 -14.093 -2.918 1.00 0.00 O ATOM 1250 CB THR A 89 -6.764 -15.724 -2.284 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.780 -15.697 -3.292 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.197 -16.634 -1.144 1.00 0.00 C ATOM 0 H THR A 89 -8.388 -13.674 -2.418 1.00 0.00 H new ATOM 0 HA THR A 89 -6.060 -14.352 -0.773 1.00 0.00 H new ATOM 0 HB THR A 89 -5.840 -16.116 -2.710 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.946 -16.608 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.383 -17.637 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.409 -16.674 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.110 -16.244 -0.693 1.00 0.00 H new ATOM 1260 N SER A 90 -5.924 -12.482 -3.276 1.00 0.00 N ATOM 1261 CA SER A 90 -5.078 -11.731 -4.196 1.00 0.00 C ATOM 1262 C SER A 90 -5.105 -10.241 -3.867 1.00 0.00 C ATOM 1263 O SER A 90 -6.133 -9.703 -3.457 1.00 0.00 O ATOM 1264 CB SER A 90 -5.534 -11.953 -5.640 1.00 0.00 C ATOM 1265 OG SER A 90 -4.764 -11.181 -6.543 1.00 0.00 O ATOM 0 H SER A 90 -6.842 -12.068 -3.113 1.00 0.00 H new ATOM 0 HA SER A 90 -4.055 -12.092 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.446 -13.009 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.587 -11.688 -5.737 1.00 0.00 H new ATOM 0 HG SER A 90 -5.074 -11.342 -7.458 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.966 -9.580 -4.049 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.858 -8.153 -3.773 1.00 0.00 C ATOM 1273 C VAL A 91 -2.827 -7.494 -4.682 1.00 0.00 C ATOM 1274 O VAL A 91 -1.708 -7.986 -4.830 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.472 -7.893 -2.304 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -3.086 -6.436 -2.103 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.612 -8.285 -1.377 1.00 0.00 C ATOM 0 H VAL A 91 -3.105 -10.011 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.839 -7.718 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.607 -8.509 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.817 -6.272 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.235 -6.194 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.929 -5.797 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.322 -8.095 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.497 -7.697 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.835 -9.345 -1.502 1.00 0.00 H new ATOM 1287 N THR A 92 -3.211 -6.375 -5.289 1.00 0.00 N ATOM 1288 CA THR A 92 -2.320 -5.648 -6.185 1.00 0.00 C ATOM 1289 C THR A 92 -1.939 -4.292 -5.600 1.00 0.00 C ATOM 1290 O THR A 92 -2.769 -3.385 -5.517 1.00 0.00 O ATOM 1291 CB THR A 92 -2.966 -5.435 -7.567 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.496 -6.672 -8.056 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.951 -4.885 -8.559 1.00 0.00 C ATOM 0 H THR A 92 -4.133 -5.953 -5.176 1.00 0.00 H new ATOM 0 HA THR A 92 -1.423 -6.256 -6.301 1.00 0.00 H new ATOM 0 HB THR A 92 -3.774 -4.712 -7.459 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.906 -6.528 -8.934 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.430 -4.743 -9.528 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.571 -3.929 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.125 -5.589 -8.662 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.681 -4.160 -5.197 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.189 -2.914 -4.620 1.00 0.00 C ATOM 1303 C LEU A 93 0.387 -2.004 -5.700 1.00 0.00 C ATOM 1304 O LEU A 93 1.121 -2.455 -6.579 1.00 0.00 O ATOM 1305 CB LEU A 93 0.875 -3.204 -3.560 1.00 0.00 C ATOM 1306 CG LEU A 93 0.412 -4.015 -2.349 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.604 -4.451 -1.512 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.566 -3.208 -1.508 1.00 0.00 C ATOM 0 H LEU A 93 0.018 -4.901 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.030 -2.403 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.698 -3.737 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.274 -2.254 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.100 -4.908 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.255 -5.027 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.268 -5.068 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.145 -3.571 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.885 -3.801 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.080 -2.297 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.435 -2.947 -2.111 1.00 0.00 H new ATOM 1320 N SER A 94 0.052 -0.720 -5.626 1.00 0.00 N ATOM 1321 CA SER A 94 0.535 0.254 -6.598 1.00 0.00 C ATOM 1322 C SER A 94 1.367 1.336 -5.916 1.00 0.00 C ATOM 1323 O SER A 94 0.844 2.143 -5.147 1.00 0.00 O ATOM 1324 CB SER A 94 -0.641 0.891 -7.341 1.00 0.00 C ATOM 1325 OG SER A 94 -1.020 0.110 -8.461 1.00 0.00 O ATOM 0 H SER A 94 -0.552 -0.330 -4.903 1.00 0.00 H new ATOM 0 HA SER A 94 1.168 -0.269 -7.315 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.489 0.997 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.368 1.894 -7.669 1.00 0.00 H new ATOM 0 HG SER A 94 -1.774 0.537 -8.918 1.00 0.00 H new ATOM 1331 N ILE A 95 2.664 1.345 -6.204 1.00 0.00 N ATOM 1332 CA ILE A 95 3.569 2.328 -5.619 1.00 0.00 C ATOM 1333 C ILE A 95 4.277 3.134 -6.702 1.00 0.00 C ATOM 1334 O ILE A 95 4.286 2.751 -7.872 1.00 0.00 O ATOM 1335 CB ILE A 95 4.625 1.657 -4.721 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.614 0.857 -5.570 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.952 0.758 -3.694 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.836 1.649 -5.981 1.00 0.00 C ATOM 0 H ILE A 95 3.112 0.684 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 95 2.959 2.996 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 95 5.176 2.433 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.932 -0.023 -5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.105 0.499 -6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.711 0.291 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.283 1.353 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.379 -0.015 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.493 1.019 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.528 2.514 -6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.368 1.985 -5.091 1.00 0.00 H new ATOM 1350 N VAL A 96 4.872 4.254 -6.304 1.00 0.00 N ATOM 1351 CA VAL A 96 5.587 5.115 -7.239 1.00 0.00 C ATOM 1352 C VAL A 96 7.058 4.726 -7.330 1.00 0.00 C ATOM 1353 O VAL A 96 7.836 4.979 -6.409 1.00 0.00 O ATOM 1354 CB VAL A 96 5.482 6.596 -6.831 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.296 7.469 -7.775 1.00 0.00 C ATOM 1356 CG2 VAL A 96 4.028 7.039 -6.802 1.00 0.00 C ATOM 0 H VAL A 96 4.873 4.587 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 96 5.119 4.981 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 96 5.891 6.708 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.210 8.512 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.342 7.166 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.920 7.355 -8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.973 8.088 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.589 6.913 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.478 6.434 -6.082 1.00 0.00 H new ATOM 1366 N HIS A 97 7.435 4.111 -8.446 1.00 0.00 N ATOM 1367 CA HIS A 97 8.814 3.688 -8.658 1.00 0.00 C ATOM 1368 C HIS A 97 9.784 4.830 -8.367 1.00 0.00 C ATOM 1369 O HIS A 97 9.373 5.981 -8.213 1.00 0.00 O ATOM 1370 CB HIS A 97 9.005 3.195 -10.092 1.00 0.00 C ATOM 1371 CG HIS A 97 9.109 4.301 -11.097 1.00 0.00 C ATOM 1372 ND1 HIS A 97 8.081 4.644 -11.949 1.00 0.00 N ATOM 1373 CD2 HIS A 97 10.129 5.144 -11.382 1.00 0.00 C ATOM 1374 CE1 HIS A 97 8.464 5.649 -12.715 1.00 0.00 C ATOM 1375 NE2 HIS A 97 9.703 5.972 -12.391 1.00 0.00 N ATOM 0 H HIS A 97 6.804 3.894 -9.218 1.00 0.00 H new ATOM 0 HA HIS A 97 9.026 2.870 -7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 97 9.907 2.585 -10.141 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.169 2.549 -10.360 1.00 0.00 H new ATOM 0 HD2 HIS A 97 11.098 5.162 -10.905 1.00 0.00 H new ATOM 0 HE1 HIS A 97 7.866 6.126 -13.477 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.254 6.715 -12.820 1.00 0.00 H new ATOM 1383 N CYS A 98 11.069 4.504 -8.293 1.00 0.00 N ATOM 1384 CA CYS A 98 12.097 5.502 -8.019 1.00 0.00 C ATOM 1385 C CYS A 98 13.470 5.002 -8.454 1.00 0.00 C ATOM 1386 O CYS A 98 13.777 3.812 -8.379 1.00 0.00 O ATOM 1387 CB CYS A 98 12.115 5.850 -6.530 1.00 0.00 C ATOM 1388 SG CYS A 98 12.338 4.424 -5.441 1.00 0.00 S ATOM 0 H CYS A 98 11.424 3.556 -8.419 1.00 0.00 H new ATOM 0 HA CYS A 98 11.860 6.399 -8.591 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.917 6.564 -6.344 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.180 6.347 -6.273 1.00 0.00 H new ATOM 0 HG CYS A 98 12.342 4.820 -4.203 1.00 0.00 H new ATOM 1394 N PRO A 99 14.318 5.931 -8.921 1.00 0.00 N ATOM 1395 CA PRO A 99 15.672 5.608 -9.378 1.00 0.00 C ATOM 1396 C PRO A 99 16.592 5.206 -8.230 1.00 0.00 C ATOM 1397 O PRO A 99 16.445 5.663 -7.097 1.00 0.00 O ATOM 1398 CB PRO A 99 16.153 6.914 -10.016 1.00 0.00 C ATOM 1399 CG PRO A 99 15.359 7.979 -9.340 1.00 0.00 C ATOM 1400 CD PRO A 99 14.019 7.368 -9.038 1.00 0.00 C ATOM 0 HA PRO A 99 15.679 4.757 -10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.222 7.059 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.982 6.915 -11.093 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.851 8.312 -8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.253 8.854 -9.982 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.594 7.766 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.299 7.565 -9.832 1.00 0.00 H new ATOM 1408 N PRO A 100 17.563 4.330 -8.527 1.00 0.00 N ATOM 1409 CA PRO A 100 18.526 3.848 -7.533 1.00 0.00 C ATOM 1410 C PRO A 100 19.504 4.935 -7.098 1.00 0.00 C ATOM 1411 O PRO A 100 20.228 5.498 -7.920 1.00 0.00 O ATOM 1412 CB PRO A 100 19.265 2.727 -8.268 1.00 0.00 C ATOM 1413 CG PRO A 100 19.134 3.071 -9.712 1.00 0.00 C ATOM 1414 CD PRO A 100 17.797 3.743 -9.858 1.00 0.00 C ATOM 0 HA PRO A 100 18.036 3.523 -6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 100 20.311 2.678 -7.966 1.00 0.00 H new ATOM 0 HB3 PRO A 100 18.825 1.754 -8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 100 19.940 3.732 -10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 100 19.191 2.177 -10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 100 17.814 4.506 -10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 100 17.016 3.031 -10.126 1.00 0.00 H new ATOM 1422 N VAL A 101 19.520 5.226 -5.801 1.00 0.00 N ATOM 1423 CA VAL A 101 20.411 6.244 -5.257 1.00 0.00 C ATOM 1424 C VAL A 101 21.773 5.655 -4.911 1.00 0.00 C ATOM 1425 O VAL A 101 22.692 6.376 -4.522 1.00 0.00 O ATOM 1426 CB VAL A 101 19.812 6.899 -3.999 1.00 0.00 C ATOM 1427 CG1 VAL A 101 18.479 7.558 -4.322 1.00 0.00 C ATOM 1428 CG2 VAL A 101 19.652 5.871 -2.889 1.00 0.00 C ATOM 0 H VAL A 101 18.926 4.771 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 101 20.533 7.003 -6.030 1.00 0.00 H new ATOM 0 HB VAL A 101 20.497 7.672 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 101 18.071 8.015 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 101 18.627 8.325 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 101 17.783 6.807 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 101 19.227 6.351 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 101 18.988 5.074 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 101 20.626 5.450 -2.640 1.00 0.00 H new TER 1438 VAL A 101