USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 937 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 67 HIS : no HD1:sc= -0.891 X(o=-0.83,f=-0.54) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.06 X(o=-0.83,f=-0.54) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -157:sc= 0.00908 (180deg=-0.574) USER MOD Set 2.2: A 95 TYR OH : 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 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.105 K(o=-0.1,f=-4.7!) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00258) USER MOD Single : A 12 ASN : amide:sc= -3.38! C(o=-3.4!,f=-3.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 137:sc= -2.8! (180deg=-7.17!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 28 GLN : amide:sc=-0.00713 X(o=-0.0071,f=0) USER MOD Single : A 29 SER OG : rot -53:sc= 0.059 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.682 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc=-0.00584 K(o=-0.0058,f=-0.68) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -22:sc= 0.00282 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.33) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.584 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -68:sc= 0.09 USER MOD Single : A 77 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.65) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.08) USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= -0.039 (180deg=-0.241) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.4) USER MOD Single : A 113 ASN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc=-0.00793 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.800 -32.024 0.571 1.00 0.00 N ATOM 2 CA GLY A 1 13.125 -31.809 -0.827 1.00 0.00 C ATOM 3 C GLY A 1 12.758 -30.417 -1.301 1.00 0.00 C ATOM 4 O GLY A 1 13.243 -29.423 -0.760 1.00 0.00 O ATOM 0 H1 GLY A 1 13.070 -32.990 0.846 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.319 -31.339 1.157 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.778 -31.897 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.192 -31.971 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.602 -32.546 -1.436 1.00 0.00 H new ATOM 8 N SER A 2 11.901 -30.344 -2.314 1.00 0.00 N ATOM 9 CA SER A 2 11.474 -29.063 -2.864 1.00 0.00 C ATOM 10 C SER A 2 12.678 -28.223 -3.281 1.00 0.00 C ATOM 11 O SER A 2 12.752 -27.032 -2.977 1.00 0.00 O ATOM 12 CB SER A 2 10.635 -28.299 -1.839 1.00 0.00 C ATOM 13 OG SER A 2 9.313 -28.806 -1.783 1.00 0.00 O ATOM 0 H SER A 2 11.488 -31.157 -2.771 1.00 0.00 H new ATOM 0 HA SER A 2 10.866 -29.259 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.099 -28.375 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.611 -27.241 -2.100 1.00 0.00 H new ATOM 0 HG SER A 2 8.797 -28.302 -1.119 1.00 0.00 H new ATOM 19 N SER A 3 13.618 -28.852 -3.979 1.00 0.00 N ATOM 20 CA SER A 3 14.820 -28.164 -4.435 1.00 0.00 C ATOM 21 C SER A 3 14.498 -27.207 -5.578 1.00 0.00 C ATOM 22 O SER A 3 14.219 -27.631 -6.698 1.00 0.00 O ATOM 23 CB SER A 3 15.873 -29.179 -4.886 1.00 0.00 C ATOM 24 OG SER A 3 17.140 -28.564 -5.040 1.00 0.00 O ATOM 0 H SER A 3 13.570 -29.837 -4.241 1.00 0.00 H new ATOM 0 HA SER A 3 15.216 -27.585 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.943 -29.985 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.567 -29.630 -5.830 1.00 0.00 H new ATOM 0 HG SER A 3 17.796 -29.233 -5.327 1.00 0.00 H new ATOM 30 N GLY A 4 14.538 -25.910 -5.285 1.00 0.00 N ATOM 31 CA GLY A 4 14.248 -24.911 -6.297 1.00 0.00 C ATOM 32 C GLY A 4 15.468 -24.551 -7.122 1.00 0.00 C ATOM 33 O GLY A 4 16.063 -23.491 -6.932 1.00 0.00 O ATOM 0 H GLY A 4 14.766 -25.534 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.464 -25.283 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.860 -24.013 -5.816 1.00 0.00 H new ATOM 37 N SER A 5 15.842 -25.437 -8.039 1.00 0.00 N ATOM 38 CA SER A 5 17.002 -25.210 -8.893 1.00 0.00 C ATOM 39 C SER A 5 16.856 -23.908 -9.673 1.00 0.00 C ATOM 40 O SER A 5 17.795 -23.117 -9.765 1.00 0.00 O ATOM 41 CB SER A 5 17.187 -26.380 -9.861 1.00 0.00 C ATOM 42 OG SER A 5 18.516 -26.433 -10.350 1.00 0.00 O ATOM 0 H SER A 5 15.359 -26.319 -8.210 1.00 0.00 H new ATOM 0 HA SER A 5 17.882 -25.134 -8.255 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.944 -27.315 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.493 -26.279 -10.695 1.00 0.00 H new ATOM 0 HG SER A 5 18.608 -27.190 -10.965 1.00 0.00 H new ATOM 48 N SER A 6 15.670 -23.692 -10.235 1.00 0.00 N ATOM 49 CA SER A 6 15.400 -22.487 -11.011 1.00 0.00 C ATOM 50 C SER A 6 14.599 -21.481 -10.192 1.00 0.00 C ATOM 51 O SER A 6 15.105 -20.423 -9.820 1.00 0.00 O ATOM 52 CB SER A 6 14.640 -22.840 -12.291 1.00 0.00 C ATOM 53 OG SER A 6 15.440 -23.623 -13.160 1.00 0.00 O ATOM 0 H SER A 6 14.882 -24.336 -10.167 1.00 0.00 H new ATOM 0 HA SER A 6 16.355 -22.034 -11.276 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.731 -23.385 -12.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.333 -21.926 -12.799 1.00 0.00 H new ATOM 0 HG SER A 6 14.931 -23.837 -13.970 1.00 0.00 H new ATOM 59 N GLY A 7 13.344 -21.819 -9.913 1.00 0.00 N ATOM 60 CA GLY A 7 12.492 -20.935 -9.139 1.00 0.00 C ATOM 61 C GLY A 7 11.102 -20.804 -9.732 1.00 0.00 C ATOM 62 O GLY A 7 10.822 -19.898 -10.517 1.00 0.00 O ATOM 0 H GLY A 7 12.902 -22.689 -10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.415 -21.311 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.953 -19.949 -9.081 1.00 0.00 H new ATOM 66 N PRO A 8 10.205 -21.726 -9.354 1.00 0.00 N ATOM 67 CA PRO A 8 8.822 -21.731 -9.843 1.00 0.00 C ATOM 68 C PRO A 8 8.007 -20.568 -9.288 1.00 0.00 C ATOM 69 O PRO A 8 6.867 -20.346 -9.697 1.00 0.00 O ATOM 70 CB PRO A 8 8.270 -23.064 -9.330 1.00 0.00 C ATOM 71 CG PRO A 8 9.099 -23.382 -8.134 1.00 0.00 C ATOM 72 CD PRO A 8 10.469 -22.834 -8.421 1.00 0.00 C ATOM 0 HA PRO A 8 8.772 -21.621 -10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.215 -22.982 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.352 -23.844 -10.087 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.678 -22.929 -7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.137 -24.457 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.961 -22.486 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.118 -23.588 -8.866 1.00 0.00 H new ATOM 80 N TYR A 9 8.598 -19.830 -8.355 1.00 0.00 N ATOM 81 CA TYR A 9 7.925 -18.690 -7.743 1.00 0.00 C ATOM 82 C TYR A 9 8.321 -17.388 -8.433 1.00 0.00 C ATOM 83 O TYR A 9 9.504 -17.115 -8.635 1.00 0.00 O ATOM 84 CB TYR A 9 8.261 -18.614 -6.252 1.00 0.00 C ATOM 85 CG TYR A 9 8.285 -19.961 -5.567 1.00 0.00 C ATOM 86 CD1 TYR A 9 7.199 -20.824 -5.651 1.00 0.00 C ATOM 87 CD2 TYR A 9 9.392 -20.371 -4.835 1.00 0.00 C ATOM 88 CE1 TYR A 9 7.216 -22.056 -5.025 1.00 0.00 C ATOM 89 CE2 TYR A 9 9.418 -21.602 -4.208 1.00 0.00 C ATOM 90 CZ TYR A 9 8.328 -22.440 -4.306 1.00 0.00 C ATOM 91 OH TYR A 9 8.349 -23.667 -3.682 1.00 0.00 O ATOM 0 H TYR A 9 9.541 -20.000 -8.006 1.00 0.00 H new ATOM 0 HA TYR A 9 6.850 -18.829 -7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.234 -18.137 -6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.530 -17.976 -5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.327 -20.527 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.247 -19.716 -4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.363 -22.714 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.288 -21.906 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 9 9.205 -23.784 -3.219 1.00 0.00 H new ATOM 101 N ASN A 10 7.322 -16.588 -8.790 1.00 0.00 N ATOM 102 CA ASN A 10 7.565 -15.314 -9.457 1.00 0.00 C ATOM 103 C ASN A 10 7.233 -14.145 -8.535 1.00 0.00 C ATOM 104 O ASN A 10 6.065 -13.864 -8.265 1.00 0.00 O ATOM 105 CB ASN A 10 6.734 -15.219 -10.738 1.00 0.00 C ATOM 106 CG ASN A 10 7.164 -16.231 -11.783 1.00 0.00 C ATOM 107 OD1 ASN A 10 7.848 -17.206 -11.474 1.00 0.00 O ATOM 108 ND2 ASN A 10 6.763 -16.001 -13.028 1.00 0.00 N ATOM 0 H ASN A 10 6.337 -16.799 -8.629 1.00 0.00 H new ATOM 0 HA ASN A 10 8.623 -15.263 -9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.682 -15.374 -10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.822 -14.214 -11.151 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.021 -16.646 -13.774 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.197 -15.179 -13.238 1.00 0.00 H new ATOM 115 N LYS A 11 8.269 -13.467 -8.053 1.00 0.00 N ATOM 116 CA LYS A 11 8.090 -12.326 -7.162 1.00 0.00 C ATOM 117 C LYS A 11 7.812 -11.054 -7.956 1.00 0.00 C ATOM 118 O LYS A 11 8.357 -10.857 -9.042 1.00 0.00 O ATOM 119 CB LYS A 11 9.333 -12.135 -6.290 1.00 0.00 C ATOM 120 CG LYS A 11 9.729 -13.379 -5.515 1.00 0.00 C ATOM 121 CD LYS A 11 8.949 -13.500 -4.217 1.00 0.00 C ATOM 122 CE LYS A 11 9.633 -14.444 -3.240 1.00 0.00 C ATOM 123 NZ LYS A 11 9.675 -15.841 -3.756 1.00 0.00 N ATOM 0 H LYS A 11 9.242 -13.688 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 11 7.231 -12.528 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.167 -11.830 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.152 -11.322 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.554 -14.262 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.797 -13.349 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.845 -12.516 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.942 -13.861 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.648 -14.096 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.105 -14.425 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.118 -16.460 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.707 -16.170 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.229 -15.870 -4.636 1.00 0.00 H new ATOM 137 N ASN A 12 6.963 -10.192 -7.406 1.00 0.00 N ATOM 138 CA ASN A 12 6.614 -8.938 -8.063 1.00 0.00 C ATOM 139 C ASN A 12 7.375 -7.769 -7.444 1.00 0.00 C ATOM 140 O ASN A 12 6.940 -6.621 -7.520 1.00 0.00 O ATOM 141 CB ASN A 12 5.108 -8.688 -7.965 1.00 0.00 C ATOM 142 CG ASN A 12 4.657 -7.523 -8.824 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.340 -6.448 -8.315 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.627 -7.731 -10.136 1.00 0.00 N ATOM 0 H ASN A 12 6.504 -10.339 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 12 6.895 -9.017 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.573 -9.588 -8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.842 -8.494 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.333 -6.983 -10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.898 -8.638 -10.515 1.00 0.00 H new ATOM 151 N GLY A 13 8.516 -8.071 -6.832 1.00 0.00 N ATOM 152 CA GLY A 13 9.321 -7.036 -6.209 1.00 0.00 C ATOM 153 C GLY A 13 8.954 -6.813 -4.755 1.00 0.00 C ATOM 154 O GLY A 13 9.765 -6.318 -3.972 1.00 0.00 O ATOM 0 H GLY A 13 8.897 -9.014 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.374 -7.309 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.197 -6.103 -6.759 1.00 0.00 H new ATOM 158 N PHE A 14 7.729 -7.178 -4.393 1.00 0.00 N ATOM 159 CA PHE A 14 7.255 -7.013 -3.023 1.00 0.00 C ATOM 160 C PHE A 14 8.147 -7.771 -2.044 1.00 0.00 C ATOM 161 O PHE A 14 8.829 -8.726 -2.419 1.00 0.00 O ATOM 162 CB PHE A 14 5.810 -7.500 -2.898 1.00 0.00 C ATOM 163 CG PHE A 14 4.791 -6.433 -3.180 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.592 -5.394 -2.286 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.033 -6.469 -4.339 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.655 -4.411 -2.542 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.094 -5.489 -4.601 1.00 0.00 C ATOM 168 CZ PHE A 14 2.906 -4.458 -3.702 1.00 0.00 C ATOM 0 H PHE A 14 7.046 -7.590 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 14 7.295 -5.952 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.654 -8.331 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.651 -7.886 -1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.176 -5.352 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.177 -7.272 -5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.508 -3.607 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.508 -5.530 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.175 -3.690 -3.905 1.00 0.00 H new ATOM 178 N LYS A 15 8.136 -7.340 -0.788 1.00 0.00 N ATOM 179 CA LYS A 15 8.941 -7.977 0.247 1.00 0.00 C ATOM 180 C LYS A 15 8.238 -7.916 1.599 1.00 0.00 C ATOM 181 O LYS A 15 7.243 -7.209 1.761 1.00 0.00 O ATOM 182 CB LYS A 15 10.312 -7.303 0.343 1.00 0.00 C ATOM 183 CG LYS A 15 11.128 -7.400 -0.934 1.00 0.00 C ATOM 184 CD LYS A 15 12.585 -7.044 -0.693 1.00 0.00 C ATOM 185 CE LYS A 15 13.323 -8.166 0.021 1.00 0.00 C ATOM 186 NZ LYS A 15 14.573 -7.682 0.671 1.00 0.00 N ATOM 0 H LYS A 15 7.578 -6.551 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 15 9.075 -9.024 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.174 -6.252 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.874 -7.757 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.061 -8.412 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.709 -6.732 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.072 -6.836 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.644 -6.132 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.670 -8.609 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.566 -8.953 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.047 -8.476 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.207 -7.282 -0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.339 -6.949 1.371 1.00 0.00 H new ATOM 200 N VAL A 16 8.761 -8.661 2.568 1.00 0.00 N ATOM 201 CA VAL A 16 8.184 -8.690 3.907 1.00 0.00 C ATOM 202 C VAL A 16 8.764 -7.582 4.779 1.00 0.00 C ATOM 203 O VAL A 16 9.962 -7.562 5.060 1.00 0.00 O ATOM 204 CB VAL A 16 8.425 -10.048 4.593 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.960 -10.004 6.041 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.721 -11.161 3.832 1.00 0.00 C ATOM 0 H VAL A 16 9.584 -9.253 2.451 1.00 0.00 H new ATOM 0 HA VAL A 16 7.111 -8.535 3.793 1.00 0.00 H new ATOM 0 HB VAL A 16 9.495 -10.255 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.138 -10.972 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.514 -9.234 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.895 -9.775 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.902 -12.113 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.650 -10.963 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.106 -11.206 2.813 1.00 0.00 H new ATOM 216 N GLY A 17 7.906 -6.660 5.204 1.00 0.00 N ATOM 217 CA GLY A 17 8.351 -5.562 6.041 1.00 0.00 C ATOM 218 C GLY A 17 7.856 -4.217 5.545 1.00 0.00 C ATOM 219 O GLY A 17 7.549 -3.330 6.340 1.00 0.00 O ATOM 0 H GLY A 17 6.910 -6.654 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.000 -5.721 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.440 -5.554 6.076 1.00 0.00 H new ATOM 223 N MET A 18 7.781 -4.066 4.227 1.00 0.00 N ATOM 224 CA MET A 18 7.321 -2.820 3.626 1.00 0.00 C ATOM 225 C MET A 18 5.825 -2.625 3.857 1.00 0.00 C ATOM 226 O MET A 18 5.012 -3.462 3.466 1.00 0.00 O ATOM 227 CB MET A 18 7.622 -2.809 2.126 1.00 0.00 C ATOM 228 CG MET A 18 6.932 -3.926 1.360 1.00 0.00 C ATOM 229 SD MET A 18 7.448 -4.005 -0.366 1.00 0.00 S ATOM 230 CE MET A 18 9.222 -4.169 -0.182 1.00 0.00 C ATOM 0 H MET A 18 8.033 -4.791 3.555 1.00 0.00 H new ATOM 0 HA MET A 18 7.855 -1.998 4.102 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.315 -1.850 1.709 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.699 -2.890 1.979 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.146 -4.879 1.843 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.853 -3.781 1.406 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.592 -4.920 -0.880 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.700 -3.212 -0.392 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.455 -4.475 0.838 1.00 0.00 H new ATOM 240 N LYS A 19 5.469 -1.515 4.494 1.00 0.00 N ATOM 241 CA LYS A 19 4.072 -1.209 4.777 1.00 0.00 C ATOM 242 C LYS A 19 3.416 -0.516 3.587 1.00 0.00 C ATOM 243 O LYS A 19 4.086 0.148 2.795 1.00 0.00 O ATOM 244 CB LYS A 19 3.964 -0.323 6.020 1.00 0.00 C ATOM 245 CG LYS A 19 4.063 -1.092 7.326 1.00 0.00 C ATOM 246 CD LYS A 19 3.945 -0.169 8.527 1.00 0.00 C ATOM 247 CE LYS A 19 5.305 0.355 8.964 1.00 0.00 C ATOM 248 NZ LYS A 19 5.947 -0.539 9.966 1.00 0.00 N ATOM 0 H LYS A 19 6.130 -0.812 4.824 1.00 0.00 H new ATOM 0 HA LYS A 19 3.550 -2.148 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.753 0.428 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.014 0.211 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.276 -1.845 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.014 -1.622 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.293 0.669 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.477 -0.704 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.954 0.451 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.191 1.353 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.643 0.002 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.221 -0.923 10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.426 -1.321 9.476 1.00 0.00 H new ATOM 262 N LEU A 20 2.102 -0.673 3.468 1.00 0.00 N ATOM 263 CA LEU A 20 1.354 -0.061 2.376 1.00 0.00 C ATOM 264 C LEU A 20 -0.135 0.000 2.702 1.00 0.00 C ATOM 265 O LEU A 20 -0.583 -0.556 3.703 1.00 0.00 O ATOM 266 CB LEU A 20 1.572 -0.844 1.080 1.00 0.00 C ATOM 267 CG LEU A 20 0.886 -2.208 0.997 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.636 -2.593 -0.453 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.722 -3.270 1.696 1.00 0.00 C ATOM 0 H LEU A 20 1.533 -1.219 4.115 1.00 0.00 H new ATOM 0 HA LEU A 20 1.720 0.957 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.224 -0.233 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.643 -0.989 0.943 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.076 -2.140 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.147 -3.566 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.004 -1.846 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.586 -2.642 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.218 -4.234 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.699 -3.336 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.848 -3.001 2.745 1.00 0.00 H new ATOM 281 N GLU A 21 -0.895 0.679 1.848 1.00 0.00 N ATOM 282 CA GLU A 21 -2.334 0.811 2.046 1.00 0.00 C ATOM 283 C GLU A 21 -3.103 0.019 0.992 1.00 0.00 C ATOM 284 O GLU A 21 -2.733 0.004 -0.182 1.00 0.00 O ATOM 285 CB GLU A 21 -2.746 2.283 1.994 1.00 0.00 C ATOM 286 CG GLU A 21 -2.299 3.083 3.206 1.00 0.00 C ATOM 287 CD GLU A 21 -2.201 4.569 2.921 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.259 5.226 2.830 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.067 5.075 2.788 1.00 0.00 O ATOM 0 H GLU A 21 -0.539 1.145 1.014 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.578 0.408 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.328 2.737 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.831 2.345 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.001 2.919 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.329 2.716 3.541 1.00 0.00 H new ATOM 296 N GLY A 22 -4.175 -0.640 1.420 1.00 0.00 N ATOM 297 CA GLY A 22 -4.979 -1.426 0.502 1.00 0.00 C ATOM 298 C GLY A 22 -6.466 -1.265 0.750 1.00 0.00 C ATOM 299 O GLY A 22 -6.877 -0.748 1.789 1.00 0.00 O ATOM 0 H GLY A 22 -4.501 -0.644 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.750 -1.130 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.710 -2.478 0.597 1.00 0.00 H new ATOM 303 N VAL A 23 -7.275 -1.709 -0.206 1.00 0.00 N ATOM 304 CA VAL A 23 -8.725 -1.611 -0.087 1.00 0.00 C ATOM 305 C VAL A 23 -9.310 -2.868 0.548 1.00 0.00 C ATOM 306 O VAL A 23 -8.826 -3.976 0.317 1.00 0.00 O ATOM 307 CB VAL A 23 -9.387 -1.387 -1.460 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.865 -1.743 -1.404 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.193 0.051 -1.916 1.00 0.00 C ATOM 0 H VAL A 23 -6.951 -2.140 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.933 -0.753 0.553 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.907 -2.042 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.316 -1.579 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.977 -2.791 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.363 -1.115 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.667 0.192 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.645 0.727 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.128 0.266 -1.997 1.00 0.00 H new ATOM 319 N ASP A 24 -10.354 -2.688 1.349 1.00 0.00 N ATOM 320 CA ASP A 24 -11.007 -3.807 2.017 1.00 0.00 C ATOM 321 C ASP A 24 -12.017 -4.479 1.091 1.00 0.00 C ATOM 322 O ASP A 24 -12.657 -3.836 0.259 1.00 0.00 O ATOM 323 CB ASP A 24 -11.705 -3.331 3.293 1.00 0.00 C ATOM 324 CG ASP A 24 -10.841 -2.389 4.108 1.00 0.00 C ATOM 325 OD1 ASP A 24 -10.372 -1.377 3.545 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.634 -2.663 5.308 1.00 0.00 O ATOM 0 H ASP A 24 -10.766 -1.777 1.552 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.241 -4.537 2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.636 -2.829 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.971 -4.195 3.902 1.00 0.00 H new ATOM 331 N PRO A 25 -12.163 -5.804 1.237 1.00 0.00 N ATOM 332 CA PRO A 25 -13.092 -6.592 0.422 1.00 0.00 C ATOM 333 C PRO A 25 -14.550 -6.296 0.755 1.00 0.00 C ATOM 334 O PRO A 25 -15.444 -6.545 -0.053 1.00 0.00 O ATOM 335 CB PRO A 25 -12.743 -8.038 0.784 1.00 0.00 C ATOM 336 CG PRO A 25 -12.152 -7.954 2.149 1.00 0.00 C ATOM 337 CD PRO A 25 -11.432 -6.636 2.208 1.00 0.00 C ATOM 0 HA PRO A 25 -12.993 -6.368 -0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.629 -8.673 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.037 -8.465 0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.927 -8.010 2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.466 -8.782 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.463 -6.206 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.381 -6.740 1.938 1.00 0.00 H new ATOM 345 N GLU A 26 -14.783 -5.764 1.951 1.00 0.00 N ATOM 346 CA GLU A 26 -16.133 -5.435 2.391 1.00 0.00 C ATOM 347 C GLU A 26 -16.629 -4.158 1.718 1.00 0.00 C ATOM 348 O GLU A 26 -17.825 -3.995 1.476 1.00 0.00 O ATOM 349 CB GLU A 26 -16.173 -5.271 3.912 1.00 0.00 C ATOM 350 CG GLU A 26 -15.717 -6.507 4.669 1.00 0.00 C ATOM 351 CD GLU A 26 -14.211 -6.679 4.652 1.00 0.00 C ATOM 352 OE1 GLU A 26 -13.507 -5.705 4.312 1.00 0.00 O ATOM 353 OE2 GLU A 26 -13.736 -7.787 4.978 1.00 0.00 O ATOM 0 H GLU A 26 -14.054 -5.552 2.632 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.790 -6.256 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.542 -4.428 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.190 -5.024 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.060 -6.443 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.185 -7.389 4.232 1.00 0.00 H new ATOM 360 N HIS A 27 -15.700 -3.256 1.418 1.00 0.00 N ATOM 361 CA HIS A 27 -16.041 -1.993 0.773 1.00 0.00 C ATOM 362 C HIS A 27 -14.900 -1.513 -0.119 1.00 0.00 C ATOM 363 O HIS A 27 -13.756 -1.411 0.323 1.00 0.00 O ATOM 364 CB HIS A 27 -16.365 -0.930 1.823 1.00 0.00 C ATOM 365 CG HIS A 27 -17.798 -0.936 2.260 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.834 -0.524 1.448 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.365 -1.309 3.430 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.976 -0.642 2.101 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.719 -1.117 3.306 1.00 0.00 N ATOM 0 H HIS A 27 -14.706 -3.376 1.611 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.921 -2.158 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.728 -1.085 2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.121 0.053 1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.849 -1.687 4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.953 -0.393 1.715 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.414 -1.310 4.028 1.00 0.00 H new ATOM 378 N GLN A 28 -15.220 -1.219 -1.375 1.00 0.00 N ATOM 379 CA GLN A 28 -14.221 -0.751 -2.328 1.00 0.00 C ATOM 380 C GLN A 28 -13.994 0.750 -2.186 1.00 0.00 C ATOM 381 O GLN A 28 -13.520 1.407 -3.113 1.00 0.00 O ATOM 382 CB GLN A 28 -14.655 -1.080 -3.757 1.00 0.00 C ATOM 383 CG GLN A 28 -14.461 -2.541 -4.131 1.00 0.00 C ATOM 384 CD GLN A 28 -14.921 -2.849 -5.542 1.00 0.00 C ATOM 385 OE1 GLN A 28 -15.789 -3.696 -5.753 1.00 0.00 O ATOM 386 NE2 GLN A 28 -14.341 -2.160 -6.518 1.00 0.00 N ATOM 0 H GLN A 28 -16.163 -1.297 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.283 -1.264 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.706 -0.819 -3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.091 -0.458 -4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.407 -2.800 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.011 -3.168 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.626 -1.467 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.611 -2.324 -7.488 1.00 0.00 H new ATOM 395 N SER A 29 -14.336 1.288 -1.019 1.00 0.00 N ATOM 396 CA SER A 29 -14.174 2.713 -0.757 1.00 0.00 C ATOM 397 C SER A 29 -13.501 2.944 0.592 1.00 0.00 C ATOM 398 O SER A 29 -13.682 3.989 1.218 1.00 0.00 O ATOM 399 CB SER A 29 -15.532 3.417 -0.790 1.00 0.00 C ATOM 400 OG SER A 29 -15.382 4.804 -1.036 1.00 0.00 O ATOM 0 H SER A 29 -14.727 0.758 -0.240 1.00 0.00 H new ATOM 0 HA SER A 29 -13.538 3.131 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.157 2.973 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.046 3.266 0.159 1.00 0.00 H new ATOM 0 HG SER A 29 -14.756 5.186 -0.386 1.00 0.00 H new ATOM 406 N VAL A 30 -12.724 1.961 1.035 1.00 0.00 N ATOM 407 CA VAL A 30 -12.022 2.056 2.309 1.00 0.00 C ATOM 408 C VAL A 30 -10.530 1.793 2.136 1.00 0.00 C ATOM 409 O VAL A 30 -10.130 0.852 1.450 1.00 0.00 O ATOM 410 CB VAL A 30 -12.591 1.062 3.339 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.802 1.128 4.638 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.066 1.339 3.587 1.00 0.00 C ATOM 0 H VAL A 30 -12.565 1.089 0.530 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.169 3.072 2.676 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.496 0.054 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.219 0.419 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.759 0.877 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.862 2.136 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.452 0.628 4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.187 2.353 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.618 1.235 2.653 1.00 0.00 H new ATOM 422 N TYR A 31 -9.711 2.631 2.762 1.00 0.00 N ATOM 423 CA TYR A 31 -8.262 2.490 2.676 1.00 0.00 C ATOM 424 C TYR A 31 -7.649 2.310 4.061 1.00 0.00 C ATOM 425 O TYR A 31 -7.561 3.259 4.841 1.00 0.00 O ATOM 426 CB TYR A 31 -7.650 3.713 1.990 1.00 0.00 C ATOM 427 CG TYR A 31 -8.163 3.939 0.586 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.955 2.996 -0.413 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.858 5.097 0.257 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.422 3.199 -1.697 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.330 5.308 -1.024 1.00 0.00 C ATOM 432 CZ TYR A 31 -9.108 4.357 -1.997 1.00 0.00 C ATOM 433 OH TYR A 31 -9.576 4.563 -3.275 1.00 0.00 O ATOM 0 H TYR A 31 -10.025 3.415 3.334 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.043 1.602 2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.858 4.598 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.567 3.597 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.418 2.088 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.032 5.845 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.251 2.455 -2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.870 6.213 -1.262 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.038 5.426 -3.319 1.00 0.00 H new ATOM 443 N CYS A 32 -7.226 1.087 4.359 1.00 0.00 N ATOM 444 CA CYS A 32 -6.621 0.781 5.650 1.00 0.00 C ATOM 445 C CYS A 32 -5.130 0.496 5.498 1.00 0.00 C ATOM 446 O CYS A 32 -4.640 0.272 4.391 1.00 0.00 O ATOM 447 CB CYS A 32 -7.318 -0.420 6.292 1.00 0.00 C ATOM 448 SG CYS A 32 -8.808 0.005 7.225 1.00 0.00 S ATOM 0 H CYS A 32 -7.291 0.291 3.724 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.743 1.651 6.295 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.582 -1.134 5.511 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.616 -0.921 6.958 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.328 -1.075 7.728 1.00 0.00 H new ATOM 454 N VAL A 33 -4.413 0.509 6.617 1.00 0.00 N ATOM 455 CA VAL A 33 -2.978 0.253 6.608 1.00 0.00 C ATOM 456 C VAL A 33 -2.685 -1.239 6.716 1.00 0.00 C ATOM 457 O VAL A 33 -3.098 -1.897 7.672 1.00 0.00 O ATOM 458 CB VAL A 33 -2.269 0.988 7.762 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.899 0.621 9.096 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.781 0.673 7.760 1.00 0.00 C ATOM 0 H VAL A 33 -4.803 0.694 7.541 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.596 0.628 5.658 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.389 2.061 7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.385 1.150 9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.952 0.904 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.813 -0.454 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.296 1.201 8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.636 -0.400 7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.343 0.993 6.815 1.00 0.00 H new ATOM 470 N LEU A 34 -1.969 -1.769 5.730 1.00 0.00 N ATOM 471 CA LEU A 34 -1.619 -3.185 5.714 1.00 0.00 C ATOM 472 C LEU A 34 -0.106 -3.372 5.661 1.00 0.00 C ATOM 473 O LEU A 34 0.639 -2.426 5.399 1.00 0.00 O ATOM 474 CB LEU A 34 -2.272 -3.878 4.516 1.00 0.00 C ATOM 475 CG LEU A 34 -3.782 -3.683 4.370 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.187 -3.736 2.905 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.536 -4.734 5.172 1.00 0.00 C ATOM 0 H LEU A 34 -1.620 -1.239 4.931 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.990 -3.636 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.790 -3.519 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.069 -4.947 4.584 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.042 -2.700 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.265 -3.595 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.674 -2.946 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.913 -4.705 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.609 -4.580 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.271 -5.727 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.269 -4.649 6.225 1.00 0.00 H new ATOM 489 N THR A 35 0.343 -4.598 5.908 1.00 0.00 N ATOM 490 CA THR A 35 1.766 -4.910 5.888 1.00 0.00 C ATOM 491 C THR A 35 2.025 -6.257 5.223 1.00 0.00 C ATOM 492 O THR A 35 1.250 -7.200 5.386 1.00 0.00 O ATOM 493 CB THR A 35 2.357 -4.930 7.310 1.00 0.00 C ATOM 494 OG1 THR A 35 1.913 -3.783 8.042 1.00 0.00 O ATOM 495 CG2 THR A 35 3.878 -4.952 7.264 1.00 0.00 C ATOM 0 H THR A 35 -0.259 -5.392 6.125 1.00 0.00 H new ATOM 0 HA THR A 35 2.253 -4.124 5.311 1.00 0.00 H new ATOM 0 HB THR A 35 2.011 -5.835 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.292 -3.805 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.273 -4.966 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.213 -5.843 6.732 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.239 -4.063 6.747 1.00 0.00 H new ATOM 503 N VAL A 36 3.119 -6.341 4.473 1.00 0.00 N ATOM 504 CA VAL A 36 3.481 -7.575 3.785 1.00 0.00 C ATOM 505 C VAL A 36 3.805 -8.684 4.779 1.00 0.00 C ATOM 506 O VAL A 36 4.828 -8.640 5.461 1.00 0.00 O ATOM 507 CB VAL A 36 4.690 -7.364 2.855 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.829 -8.529 1.887 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.561 -6.048 2.103 1.00 0.00 C ATOM 0 H VAL A 36 3.770 -5.570 4.326 1.00 0.00 H new ATOM 0 HA VAL A 36 2.619 -7.869 3.187 1.00 0.00 H new ATOM 0 HB VAL A 36 5.592 -7.320 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.689 -8.362 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.972 -9.453 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.927 -8.608 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.424 -5.916 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.651 -6.059 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.515 -5.225 2.816 1.00 0.00 H new ATOM 519 N ALA A 37 2.926 -9.679 4.854 1.00 0.00 N ATOM 520 CA ALA A 37 3.120 -10.802 5.762 1.00 0.00 C ATOM 521 C ALA A 37 3.857 -11.945 5.073 1.00 0.00 C ATOM 522 O ALA A 37 4.590 -12.698 5.713 1.00 0.00 O ATOM 523 CB ALA A 37 1.781 -11.283 6.300 1.00 0.00 C ATOM 0 H ALA A 37 2.073 -9.729 4.297 1.00 0.00 H new ATOM 0 HA ALA A 37 3.733 -10.461 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.941 -12.122 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.292 -10.471 6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.149 -11.601 5.471 1.00 0.00 H new ATOM 529 N GLU A 38 3.656 -12.068 3.764 1.00 0.00 N ATOM 530 CA GLU A 38 4.301 -13.122 2.989 1.00 0.00 C ATOM 531 C GLU A 38 4.202 -12.835 1.494 1.00 0.00 C ATOM 532 O GLU A 38 3.242 -12.219 1.030 1.00 0.00 O ATOM 533 CB GLU A 38 3.666 -14.478 3.303 1.00 0.00 C ATOM 534 CG GLU A 38 4.595 -15.656 3.059 1.00 0.00 C ATOM 535 CD GLU A 38 5.998 -15.410 3.578 1.00 0.00 C ATOM 536 OE1 GLU A 38 6.793 -14.772 2.857 1.00 0.00 O ATOM 537 OE2 GLU A 38 6.301 -15.855 4.705 1.00 0.00 O ATOM 0 H GLU A 38 3.053 -11.452 3.219 1.00 0.00 H new ATOM 0 HA GLU A 38 5.355 -13.150 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.347 -14.488 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.770 -14.600 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.184 -16.544 3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.638 -15.864 1.990 1.00 0.00 H new ATOM 544 N VAL A 39 5.202 -13.287 0.743 1.00 0.00 N ATOM 545 CA VAL A 39 5.228 -13.080 -0.700 1.00 0.00 C ATOM 546 C VAL A 39 5.375 -14.404 -1.442 1.00 0.00 C ATOM 547 O VAL A 39 6.198 -15.244 -1.077 1.00 0.00 O ATOM 548 CB VAL A 39 6.379 -12.143 -1.112 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.350 -11.889 -2.611 1.00 0.00 C ATOM 550 CG2 VAL A 39 6.302 -10.835 -0.340 1.00 0.00 C ATOM 0 H VAL A 39 6.004 -13.799 1.110 1.00 0.00 H new ATOM 0 HA VAL A 39 4.279 -12.618 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 39 7.324 -12.628 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.170 -11.225 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.457 -12.835 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.402 -11.425 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.123 -10.185 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.352 -10.343 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.376 -11.038 0.728 1.00 0.00 H new ATOM 560 N CYS A 40 4.572 -14.583 -2.485 1.00 0.00 N ATOM 561 CA CYS A 40 4.612 -15.806 -3.280 1.00 0.00 C ATOM 562 C CYS A 40 3.858 -15.626 -4.593 1.00 0.00 C ATOM 563 O CYS A 40 2.796 -15.005 -4.631 1.00 0.00 O ATOM 564 CB CYS A 40 4.015 -16.972 -2.490 1.00 0.00 C ATOM 565 SG CYS A 40 4.569 -18.600 -3.046 1.00 0.00 S ATOM 0 H CYS A 40 3.886 -13.897 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 40 5.654 -16.028 -3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.271 -16.853 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.928 -16.926 -2.561 1.00 0.00 H new ATOM 0 HG CYS A 40 4.012 -19.520 -2.316 1.00 0.00 H new ATOM 571 N GLY A 41 4.415 -16.172 -5.670 1.00 0.00 N ATOM 572 CA GLY A 41 3.782 -16.058 -6.971 1.00 0.00 C ATOM 573 C GLY A 41 3.373 -14.635 -7.295 1.00 0.00 C ATOM 574 O GLY A 41 3.925 -13.683 -6.743 1.00 0.00 O ATOM 0 H GLY A 41 5.293 -16.691 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.467 -16.419 -7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.903 -16.701 -7.001 1.00 0.00 H new ATOM 578 N TYR A 42 2.406 -14.490 -8.193 1.00 0.00 N ATOM 579 CA TYR A 42 1.926 -13.172 -8.593 1.00 0.00 C ATOM 580 C TYR A 42 0.914 -12.632 -7.587 1.00 0.00 C ATOM 581 O TYR A 42 -0.101 -12.047 -7.964 1.00 0.00 O ATOM 582 CB TYR A 42 1.294 -13.237 -9.984 1.00 0.00 C ATOM 583 CG TYR A 42 0.694 -11.926 -10.438 1.00 0.00 C ATOM 584 CD1 TYR A 42 1.497 -10.818 -10.679 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.677 -11.794 -10.626 1.00 0.00 C ATOM 586 CE1 TYR A 42 0.953 -9.618 -11.094 1.00 0.00 C ATOM 587 CE2 TYR A 42 -1.229 -10.598 -11.041 1.00 0.00 C ATOM 588 CZ TYR A 42 -0.410 -9.513 -11.274 1.00 0.00 C ATOM 589 OH TYR A 42 -0.957 -8.319 -11.687 1.00 0.00 O ATOM 0 H TYR A 42 1.939 -15.268 -8.658 1.00 0.00 H new ATOM 0 HA TYR A 42 2.780 -12.495 -8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.051 -13.549 -10.704 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.518 -14.002 -9.986 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.565 -10.896 -10.539 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.322 -12.641 -10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.592 -8.767 -11.277 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.296 -10.513 -11.182 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.929 -8.415 -11.766 1.00 0.00 H new ATOM 599 N ARG A 43 1.199 -12.833 -6.305 1.00 0.00 N ATOM 600 CA ARG A 43 0.314 -12.368 -5.243 1.00 0.00 C ATOM 601 C ARG A 43 1.104 -12.056 -3.975 1.00 0.00 C ATOM 602 O ARG A 43 2.199 -12.581 -3.769 1.00 0.00 O ATOM 603 CB ARG A 43 -0.756 -13.419 -4.944 1.00 0.00 C ATOM 604 CG ARG A 43 -1.882 -13.448 -5.964 1.00 0.00 C ATOM 605 CD ARG A 43 -2.792 -14.649 -5.756 1.00 0.00 C ATOM 606 NE ARG A 43 -2.095 -15.911 -5.993 1.00 0.00 N ATOM 607 CZ ARG A 43 -2.619 -17.102 -5.725 1.00 0.00 C ATOM 608 NH1 ARG A 43 -3.839 -17.193 -5.213 1.00 0.00 N ATOM 609 NH2 ARG A 43 -1.923 -18.205 -5.969 1.00 0.00 N ATOM 0 H ARG A 43 2.036 -13.315 -5.976 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.171 -11.453 -5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.287 -14.402 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.176 -13.227 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.466 -12.531 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.463 -13.478 -6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.183 -14.636 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.648 -14.576 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.154 -15.876 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.377 -16.347 -5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.239 -18.109 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.984 -18.139 -6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.327 -19.119 -5.763 1.00 0.00 H new ATOM 623 N ILE A 44 0.542 -11.199 -3.130 1.00 0.00 N ATOM 624 CA ILE A 44 1.193 -10.817 -1.883 1.00 0.00 C ATOM 625 C ILE A 44 0.216 -10.871 -0.714 1.00 0.00 C ATOM 626 O ILE A 44 -0.959 -10.532 -0.856 1.00 0.00 O ATOM 627 CB ILE A 44 1.793 -9.402 -1.971 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.713 -8.390 -2.358 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.937 -9.373 -2.973 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.154 -6.950 -2.213 1.00 0.00 C ATOM 0 H ILE A 44 -0.363 -10.756 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 44 1.997 -11.533 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 44 2.187 -9.129 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.414 -8.568 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.168 -8.556 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.351 -8.366 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.714 -10.069 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.567 -9.663 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.338 -6.289 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.426 -6.755 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.016 -6.767 -2.854 1.00 0.00 H new ATOM 642 N LYS A 45 0.709 -11.299 0.443 1.00 0.00 N ATOM 643 CA LYS A 45 -0.118 -11.395 1.640 1.00 0.00 C ATOM 644 C LYS A 45 -0.277 -10.031 2.303 1.00 0.00 C ATOM 645 O LYS A 45 0.709 -9.349 2.588 1.00 0.00 O ATOM 646 CB LYS A 45 0.495 -12.387 2.631 1.00 0.00 C ATOM 647 CG LYS A 45 -0.527 -13.057 3.532 1.00 0.00 C ATOM 648 CD LYS A 45 0.086 -14.207 4.313 1.00 0.00 C ATOM 649 CE LYS A 45 -0.811 -14.643 5.462 1.00 0.00 C ATOM 650 NZ LYS A 45 -1.951 -15.476 4.990 1.00 0.00 N ATOM 0 H LYS A 45 1.679 -11.585 0.577 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.104 -11.751 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.036 -13.154 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.225 -11.865 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.938 -12.323 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.357 -13.427 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.259 -15.051 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.058 -13.906 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.224 -15.208 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.194 -13.763 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.538 -15.753 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.526 -14.929 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.586 -16.329 4.520 1.00 0.00 H new ATOM 664 N LEU A 46 -1.522 -9.638 2.547 1.00 0.00 N ATOM 665 CA LEU A 46 -1.810 -8.355 3.178 1.00 0.00 C ATOM 666 C LEU A 46 -2.327 -8.551 4.600 1.00 0.00 C ATOM 667 O LEU A 46 -3.423 -9.075 4.806 1.00 0.00 O ATOM 668 CB LEU A 46 -2.836 -7.577 2.353 1.00 0.00 C ATOM 669 CG LEU A 46 -2.286 -6.811 1.149 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.375 -5.682 1.605 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.545 -7.752 0.211 1.00 0.00 C ATOM 0 H LEU A 46 -2.349 -10.190 2.317 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.882 -7.785 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.593 -8.276 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.339 -6.868 3.010 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.125 -6.376 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.993 -5.148 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.937 -4.993 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.541 -6.094 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.161 -7.189 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.715 -8.217 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.227 -8.525 -0.143 1.00 0.00 H new ATOM 683 N HIS A 47 -1.534 -8.126 5.577 1.00 0.00 N ATOM 684 CA HIS A 47 -1.913 -8.252 6.980 1.00 0.00 C ATOM 685 C HIS A 47 -2.524 -6.953 7.497 1.00 0.00 C ATOM 686 O HIS A 47 -2.043 -5.863 7.187 1.00 0.00 O ATOM 687 CB HIS A 47 -0.697 -8.630 7.827 1.00 0.00 C ATOM 688 CG HIS A 47 -0.909 -8.439 9.297 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.672 -9.293 10.065 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.451 -7.484 10.141 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.675 -8.871 11.317 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.941 -7.776 11.390 1.00 0.00 N ATOM 0 H HIS A 47 -0.624 -7.691 5.424 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.661 -9.041 7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.442 -9.673 7.637 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.157 -8.031 7.510 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.182 -6.648 9.880 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.190 -9.342 12.141 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.766 -7.235 12.237 1.00 0.00 H new ATOM 701 N PHE A 48 -3.586 -7.077 8.285 1.00 0.00 N ATOM 702 CA PHE A 48 -4.264 -5.913 8.844 1.00 0.00 C ATOM 703 C PHE A 48 -3.587 -5.455 10.132 1.00 0.00 C ATOM 704 O PHE A 48 -3.618 -6.154 11.145 1.00 0.00 O ATOM 705 CB PHE A 48 -5.735 -6.234 9.114 1.00 0.00 C ATOM 706 CG PHE A 48 -6.621 -6.042 7.916 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.892 -4.771 7.436 1.00 0.00 C ATOM 708 CD2 PHE A 48 -7.181 -7.132 7.271 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.708 -4.592 6.334 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.997 -6.959 6.168 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.259 -5.687 5.699 1.00 0.00 C ATOM 0 H PHE A 48 -3.996 -7.972 8.551 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.203 -5.104 8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.817 -7.266 9.454 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.093 -5.601 9.926 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.462 -3.911 7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.978 -8.129 7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.914 -3.596 5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.429 -7.817 5.674 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.894 -5.549 4.837 1.00 0.00 H new ATOM 721 N ASP A 49 -2.974 -4.277 10.085 1.00 0.00 N ATOM 722 CA ASP A 49 -2.289 -3.724 11.247 1.00 0.00 C ATOM 723 C ASP A 49 -3.231 -3.639 12.444 1.00 0.00 C ATOM 724 O ASP A 49 -4.234 -2.927 12.408 1.00 0.00 O ATOM 725 CB ASP A 49 -1.728 -2.339 10.924 1.00 0.00 C ATOM 726 CG ASP A 49 -0.535 -1.981 11.790 1.00 0.00 C ATOM 727 OD1 ASP A 49 0.556 -2.542 11.558 1.00 0.00 O ATOM 728 OD2 ASP A 49 -0.693 -1.139 12.698 1.00 0.00 O ATOM 0 H ASP A 49 -2.938 -3.687 9.254 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.465 -4.390 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.435 -2.305 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.510 -1.592 11.061 1.00 0.00 H new ATOM 733 N GLY A 50 -2.902 -4.372 13.504 1.00 0.00 N ATOM 734 CA GLY A 50 -3.730 -4.365 14.696 1.00 0.00 C ATOM 735 C GLY A 50 -4.611 -5.595 14.796 1.00 0.00 C ATOM 736 O GLY A 50 -4.612 -6.285 15.816 1.00 0.00 O ATOM 0 H GLY A 50 -2.077 -4.970 13.558 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.092 -4.306 15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.356 -3.473 14.695 1.00 0.00 H new ATOM 740 N TYR A 51 -5.364 -5.869 13.737 1.00 0.00 N ATOM 741 CA TYR A 51 -6.257 -7.021 13.712 1.00 0.00 C ATOM 742 C TYR A 51 -5.465 -8.323 13.628 1.00 0.00 C ATOM 743 O TYR A 51 -4.255 -8.313 13.402 1.00 0.00 O ATOM 744 CB TYR A 51 -7.220 -6.921 12.528 1.00 0.00 C ATOM 745 CG TYR A 51 -8.123 -5.709 12.583 1.00 0.00 C ATOM 746 CD1 TYR A 51 -9.326 -5.746 13.277 1.00 0.00 C ATOM 747 CD2 TYR A 51 -7.774 -4.528 11.940 1.00 0.00 C ATOM 748 CE1 TYR A 51 -10.155 -4.642 13.329 1.00 0.00 C ATOM 749 CE2 TYR A 51 -8.595 -3.418 11.988 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.785 -3.480 12.684 1.00 0.00 C ATOM 751 OH TYR A 51 -10.606 -2.377 12.733 1.00 0.00 O ATOM 0 H TYR A 51 -5.374 -5.309 12.884 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.830 -7.024 14.639 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.644 -6.893 11.603 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.835 -7.820 12.493 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.618 -6.653 13.785 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.844 -4.477 11.393 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.088 -4.688 13.872 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.307 -2.507 11.484 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.198 -1.643 12.228 1.00 0.00 H new ATOM 761 N SER A 52 -6.158 -9.442 13.812 1.00 0.00 N ATOM 762 CA SER A 52 -5.520 -10.753 13.761 1.00 0.00 C ATOM 763 C SER A 52 -5.054 -11.075 12.345 1.00 0.00 C ATOM 764 O SER A 52 -5.557 -10.514 11.371 1.00 0.00 O ATOM 765 CB SER A 52 -6.487 -11.833 14.250 1.00 0.00 C ATOM 766 OG SER A 52 -6.785 -11.666 15.625 1.00 0.00 O ATOM 0 H SER A 52 -7.161 -9.468 13.998 1.00 0.00 H new ATOM 0 HA SER A 52 -4.649 -10.732 14.416 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.407 -11.792 13.668 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.050 -12.818 14.086 1.00 0.00 H new ATOM 0 HG SER A 52 -7.406 -12.367 15.913 1.00 0.00 H new ATOM 772 N ASP A 53 -4.089 -11.982 12.239 1.00 0.00 N ATOM 773 CA ASP A 53 -3.553 -12.380 10.943 1.00 0.00 C ATOM 774 C ASP A 53 -4.557 -13.241 10.182 1.00 0.00 C ATOM 775 O ASP A 53 -4.623 -13.195 8.953 1.00 0.00 O ATOM 776 CB ASP A 53 -2.240 -13.145 11.122 1.00 0.00 C ATOM 777 CG ASP A 53 -2.444 -14.502 11.765 1.00 0.00 C ATOM 778 OD1 ASP A 53 -2.830 -14.546 12.952 1.00 0.00 O ATOM 779 OD2 ASP A 53 -2.219 -15.522 11.080 1.00 0.00 O ATOM 0 H ASP A 53 -3.662 -12.455 13.035 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.362 -11.477 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.763 -13.275 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.559 -12.554 11.735 1.00 0.00 H new ATOM 784 N CYS A 54 -5.335 -14.025 10.919 1.00 0.00 N ATOM 785 CA CYS A 54 -6.334 -14.899 10.314 1.00 0.00 C ATOM 786 C CYS A 54 -7.143 -14.150 9.260 1.00 0.00 C ATOM 787 O CYS A 54 -7.534 -14.721 8.241 1.00 0.00 O ATOM 788 CB CYS A 54 -7.268 -15.460 11.387 1.00 0.00 C ATOM 789 SG CYS A 54 -8.530 -16.588 10.751 1.00 0.00 S ATOM 0 H CYS A 54 -5.294 -14.074 11.937 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.813 -15.724 9.829 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.672 -15.983 12.135 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.760 -14.631 11.895 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.711 -16.366 9.483 1.00 0.00 H new ATOM 795 N TYR A 55 -7.392 -12.870 9.512 1.00 0.00 N ATOM 796 CA TYR A 55 -8.158 -12.043 8.586 1.00 0.00 C ATOM 797 C TYR A 55 -7.256 -11.454 7.507 1.00 0.00 C ATOM 798 O TYR A 55 -7.447 -10.317 7.075 1.00 0.00 O ATOM 799 CB TYR A 55 -8.869 -10.919 9.342 1.00 0.00 C ATOM 800 CG TYR A 55 -9.596 -11.389 10.582 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.693 -12.236 10.490 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.185 -10.984 11.847 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.360 -12.667 11.620 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.845 -11.411 12.983 1.00 0.00 C ATOM 805 CZ TYR A 55 -10.932 -12.252 12.864 1.00 0.00 C ATOM 806 OH TYR A 55 -11.593 -12.679 13.993 1.00 0.00 O ATOM 0 H TYR A 55 -7.075 -12.382 10.350 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.903 -12.676 8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.137 -10.163 9.625 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.582 -10.437 8.673 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.030 -12.563 9.518 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.335 -10.324 11.943 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.212 -13.325 11.530 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.512 -11.088 13.958 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.165 -12.297 14.787 1.00 0.00 H new ATOM 816 N ASP A 56 -6.273 -12.237 7.075 1.00 0.00 N ATOM 817 CA ASP A 56 -5.340 -11.795 6.045 1.00 0.00 C ATOM 818 C ASP A 56 -5.753 -12.325 4.675 1.00 0.00 C ATOM 819 O ASP A 56 -6.277 -13.433 4.559 1.00 0.00 O ATOM 820 CB ASP A 56 -3.921 -12.258 6.378 1.00 0.00 C ATOM 821 CG ASP A 56 -3.219 -11.322 7.343 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.915 -10.671 8.151 1.00 0.00 O ATOM 823 OD2 ASP A 56 -1.974 -11.243 7.292 1.00 0.00 O ATOM 0 H ASP A 56 -6.102 -13.181 7.422 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.360 -10.706 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.960 -13.258 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.340 -12.330 5.459 1.00 0.00 H new ATOM 828 N PHE A 57 -5.513 -11.527 3.640 1.00 0.00 N ATOM 829 CA PHE A 57 -5.862 -11.915 2.279 1.00 0.00 C ATOM 830 C PHE A 57 -4.739 -11.560 1.308 1.00 0.00 C ATOM 831 O PHE A 57 -3.883 -10.729 1.610 1.00 0.00 O ATOM 832 CB PHE A 57 -7.160 -11.229 1.847 1.00 0.00 C ATOM 833 CG PHE A 57 -7.130 -9.736 2.003 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.242 -8.966 1.269 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.989 -9.101 2.886 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.212 -7.592 1.410 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.964 -7.727 3.031 1.00 0.00 C ATOM 838 CZ PHE A 57 -7.074 -6.972 2.293 1.00 0.00 C ATOM 0 H PHE A 57 -5.078 -10.608 3.718 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.007 -12.995 2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.361 -11.473 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.986 -11.631 2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.565 -9.446 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.686 -9.687 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.516 -7.004 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.640 -7.244 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 57 -7.052 -5.898 2.406 1.00 0.00 H new ATOM 848 N TRP A 58 -4.750 -12.198 0.143 1.00 0.00 N ATOM 849 CA TRP A 58 -3.732 -11.951 -0.872 1.00 0.00 C ATOM 850 C TRP A 58 -4.295 -11.114 -2.015 1.00 0.00 C ATOM 851 O TRP A 58 -5.280 -11.493 -2.649 1.00 0.00 O ATOM 852 CB TRP A 58 -3.190 -13.275 -1.413 1.00 0.00 C ATOM 853 CG TRP A 58 -2.437 -14.071 -0.389 1.00 0.00 C ATOM 854 CD1 TRP A 58 -2.927 -14.569 0.784 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.060 -14.457 -0.447 1.00 0.00 C ATOM 856 NE1 TRP A 58 -1.937 -15.242 1.459 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.782 -15.188 0.724 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.034 -14.257 -1.375 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.477 -15.718 0.990 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.216 -14.784 -1.110 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.463 -15.508 0.064 1.00 0.00 C ATOM 0 H TRP A 58 -5.452 -12.889 -0.122 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.918 -11.396 -0.406 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.020 -13.873 -1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.534 -13.072 -2.260 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.943 -14.451 1.130 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.045 -15.706 2.361 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.215 -13.701 -2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.669 -16.275 1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.016 -14.635 -1.820 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.450 -15.908 0.242 1.00 0.00 H new ATOM 872 N VAL A 59 -3.664 -9.973 -2.275 1.00 0.00 N ATOM 873 CA VAL A 59 -4.103 -9.083 -3.343 1.00 0.00 C ATOM 874 C VAL A 59 -3.248 -9.262 -4.593 1.00 0.00 C ATOM 875 O VAL A 59 -2.271 -10.009 -4.587 1.00 0.00 O ATOM 876 CB VAL A 59 -4.047 -7.608 -2.903 1.00 0.00 C ATOM 877 CG1 VAL A 59 -4.772 -7.418 -1.579 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.604 -7.137 -2.802 1.00 0.00 C ATOM 0 H VAL A 59 -2.847 -9.644 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.136 -9.347 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.551 -7.003 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.722 -6.370 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.815 -7.715 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.299 -8.033 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.583 -6.093 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.073 -7.745 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.120 -7.235 -3.774 1.00 0.00 H new ATOM 888 N ASN A 60 -3.622 -8.569 -5.663 1.00 0.00 N ATOM 889 CA ASN A 60 -2.890 -8.651 -6.922 1.00 0.00 C ATOM 890 C ASN A 60 -1.588 -7.858 -6.846 1.00 0.00 C ATOM 891 O ASN A 60 -1.586 -6.684 -6.479 1.00 0.00 O ATOM 892 CB ASN A 60 -3.752 -8.130 -8.073 1.00 0.00 C ATOM 893 CG ASN A 60 -5.168 -8.669 -8.025 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.399 -9.803 -7.605 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.126 -7.856 -8.456 1.00 0.00 N ATOM 0 H ASN A 60 -4.428 -7.944 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.647 -9.698 -7.105 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.779 -7.041 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.293 -8.407 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.098 -8.164 -8.447 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.889 -6.924 -8.796 1.00 0.00 H new ATOM 902 N ALA A 61 -0.484 -8.509 -7.198 1.00 0.00 N ATOM 903 CA ALA A 61 0.823 -7.865 -7.172 1.00 0.00 C ATOM 904 C ALA A 61 0.777 -6.504 -7.858 1.00 0.00 C ATOM 905 O ALA A 61 1.520 -5.591 -7.497 1.00 0.00 O ATOM 906 CB ALA A 61 1.864 -8.756 -7.834 1.00 0.00 C ATOM 0 H ALA A 61 -0.469 -9.482 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 61 1.103 -7.709 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.835 -8.262 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.924 -9.704 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.579 -8.941 -8.870 1.00 0.00 H new ATOM 912 N ASP A 62 -0.098 -6.375 -8.849 1.00 0.00 N ATOM 913 CA ASP A 62 -0.240 -5.124 -9.586 1.00 0.00 C ATOM 914 C ASP A 62 -1.645 -4.553 -9.420 1.00 0.00 C ATOM 915 O ASP A 62 -2.243 -4.062 -10.376 1.00 0.00 O ATOM 916 CB ASP A 62 0.062 -5.344 -11.069 1.00 0.00 C ATOM 917 CG ASP A 62 0.003 -4.057 -11.868 1.00 0.00 C ATOM 918 OD1 ASP A 62 0.484 -3.021 -11.362 1.00 0.00 O ATOM 919 OD2 ASP A 62 -0.523 -4.086 -13.000 1.00 0.00 O ATOM 0 H ASP A 62 -0.720 -7.121 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 62 0.475 -4.408 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.052 -5.788 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.652 -6.057 -11.481 1.00 0.00 H new ATOM 924 N ALA A 63 -2.166 -4.622 -8.199 1.00 0.00 N ATOM 925 CA ALA A 63 -3.500 -4.111 -7.907 1.00 0.00 C ATOM 926 C ALA A 63 -3.507 -2.587 -7.869 1.00 0.00 C ATOM 927 O ALA A 63 -2.573 -1.963 -7.363 1.00 0.00 O ATOM 928 CB ALA A 63 -4.004 -4.676 -6.588 1.00 0.00 C ATOM 0 H ALA A 63 -1.684 -5.027 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.168 -4.432 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.001 -4.286 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.045 -5.763 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.327 -4.384 -5.785 1.00 0.00 H new ATOM 934 N LEU A 64 -4.566 -1.991 -8.408 1.00 0.00 N ATOM 935 CA LEU A 64 -4.694 -0.539 -8.436 1.00 0.00 C ATOM 936 C LEU A 64 -5.202 -0.011 -7.098 1.00 0.00 C ATOM 937 O LEU A 64 -4.801 1.064 -6.651 1.00 0.00 O ATOM 938 CB LEU A 64 -5.643 -0.113 -9.558 1.00 0.00 C ATOM 939 CG LEU A 64 -5.206 -0.471 -10.979 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.317 -0.165 -11.972 1.00 0.00 C ATOM 941 CD2 LEU A 64 -3.935 0.277 -11.350 1.00 0.00 C ATOM 0 H LEU A 64 -5.348 -2.491 -8.831 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.707 -0.115 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.617 -0.566 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.778 0.967 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.998 -1.540 -11.017 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.988 -0.426 -12.978 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.203 -0.747 -11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.557 0.897 -11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.639 0.010 -12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.116 1.351 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.139 0.007 -10.657 1.00 0.00 H new ATOM 953 N ASP A 65 -6.083 -0.775 -6.462 1.00 0.00 N ATOM 954 CA ASP A 65 -6.643 -0.386 -5.173 1.00 0.00 C ATOM 955 C ASP A 65 -5.535 -0.062 -4.176 1.00 0.00 C ATOM 956 O ASP A 65 -5.595 0.948 -3.473 1.00 0.00 O ATOM 957 CB ASP A 65 -7.533 -1.501 -4.622 1.00 0.00 C ATOM 958 CG ASP A 65 -7.080 -2.877 -5.070 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.509 -3.318 -6.157 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.297 -3.512 -4.334 1.00 0.00 O ATOM 0 H ASP A 65 -6.425 -1.668 -6.818 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.247 0.509 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.532 -1.458 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.560 -1.336 -4.947 1.00 0.00 H new ATOM 965 N ILE A 66 -4.527 -0.924 -4.118 1.00 0.00 N ATOM 966 CA ILE A 66 -3.406 -0.730 -3.207 1.00 0.00 C ATOM 967 C ILE A 66 -2.571 0.480 -3.613 1.00 0.00 C ATOM 968 O ILE A 66 -2.438 0.786 -4.798 1.00 0.00 O ATOM 969 CB ILE A 66 -2.498 -1.973 -3.156 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.880 -2.235 -4.531 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.287 -3.185 -2.684 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.793 -3.287 -4.513 1.00 0.00 C ATOM 0 H ILE A 66 -4.463 -1.765 -4.692 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.830 -0.561 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.692 -1.789 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.665 -2.547 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.467 -1.304 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.632 -4.056 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.685 -2.994 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.110 -3.374 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.400 -3.421 -5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.011 -2.968 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.206 -4.231 -4.156 1.00 0.00 H new ATOM 984 N HIS A 67 -2.008 1.163 -2.622 1.00 0.00 N ATOM 985 CA HIS A 67 -1.182 2.339 -2.876 1.00 0.00 C ATOM 986 C HIS A 67 -0.026 2.416 -1.883 1.00 0.00 C ATOM 987 O HIS A 67 -0.114 1.937 -0.752 1.00 0.00 O ATOM 988 CB HIS A 67 -2.028 3.610 -2.792 1.00 0.00 C ATOM 989 CG HIS A 67 -3.026 3.740 -3.901 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.679 3.691 -5.235 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.368 3.916 -3.868 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.765 3.833 -5.975 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.803 3.971 -5.170 1.00 0.00 N ATOM 0 H HIS A 67 -2.108 0.923 -1.636 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.769 2.252 -3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.554 3.624 -1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.368 4.477 -2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.982 3.998 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.798 3.836 -7.054 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.771 4.098 -5.467 1.00 0.00 H new ATOM 1002 N PRO A 68 1.085 3.032 -2.314 1.00 0.00 N ATOM 1003 CA PRO A 68 2.279 3.186 -1.478 1.00 0.00 C ATOM 1004 C PRO A 68 2.062 4.167 -0.331 1.00 0.00 C ATOM 1005 O PRO A 68 1.416 5.202 -0.500 1.00 0.00 O ATOM 1006 CB PRO A 68 3.327 3.727 -2.454 1.00 0.00 C ATOM 1007 CG PRO A 68 2.538 4.408 -3.519 1.00 0.00 C ATOM 1008 CD PRO A 68 1.260 3.626 -3.650 1.00 0.00 C ATOM 0 HA PRO A 68 2.565 2.249 -0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.007 4.421 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.937 2.923 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.335 5.445 -3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.085 4.422 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.421 4.269 -3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.334 2.861 -4.423 1.00 0.00 H new ATOM 1016 N VAL A 69 2.605 3.836 0.836 1.00 0.00 N ATOM 1017 CA VAL A 69 2.472 4.689 2.011 1.00 0.00 C ATOM 1018 C VAL A 69 2.486 6.163 1.623 1.00 0.00 C ATOM 1019 O VAL A 69 3.210 6.571 0.716 1.00 0.00 O ATOM 1020 CB VAL A 69 3.599 4.425 3.026 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.490 5.380 4.205 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.565 2.979 3.496 1.00 0.00 C ATOM 0 H VAL A 69 3.141 2.983 0.993 1.00 0.00 H new ATOM 0 HA VAL A 69 1.515 4.447 2.472 1.00 0.00 H new ATOM 0 HB VAL A 69 4.556 4.600 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.295 5.179 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.568 6.407 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.529 5.239 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.369 2.810 4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.606 2.773 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.696 2.315 2.641 1.00 0.00 H new ATOM 1032 N GLY A 70 1.680 6.960 2.319 1.00 0.00 N ATOM 1033 CA GLY A 70 1.615 8.382 2.034 1.00 0.00 C ATOM 1034 C GLY A 70 0.773 8.690 0.812 1.00 0.00 C ATOM 1035 O GLY A 70 1.118 9.564 0.016 1.00 0.00 O ATOM 0 H GLY A 70 1.071 6.646 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.202 8.904 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.624 8.766 1.882 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.333 7.970 0.661 1.00 0.00 N ATOM 1040 CA TRP A 71 -1.226 8.170 -0.475 1.00 0.00 C ATOM 1041 C TRP A 71 -2.339 9.153 -0.126 1.00 0.00 C ATOM 1042 O TRP A 71 -2.612 10.088 -0.880 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.828 6.836 -0.919 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.652 6.941 -2.166 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -2.191 6.976 -3.452 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -4.078 7.027 -2.247 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.246 7.078 -4.326 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.414 7.111 -3.612 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -5.105 7.039 -1.299 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.733 7.206 -4.049 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -6.413 7.135 -1.734 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.718 7.216 -3.099 1.00 0.00 C ATOM 0 H TRP A 71 -0.633 7.243 1.310 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.642 8.587 -1.295 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.023 6.119 -1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.448 6.440 -0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.151 6.930 -3.739 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.171 7.122 -5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.880 6.974 -0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.970 7.270 -5.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.214 7.148 -1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.751 7.288 -3.408 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.976 8.936 1.019 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.060 9.803 1.467 1.00 0.00 C ATOM 1065 C CYS A 72 -3.637 11.268 1.424 1.00 0.00 C ATOM 1066 O CYS A 72 -4.411 12.135 1.019 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.490 9.425 2.885 1.00 0.00 C ATOM 1068 SG CYS A 72 -3.158 9.502 4.105 1.00 0.00 S ATOM 0 H CYS A 72 -2.761 8.167 1.654 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.904 9.667 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.295 10.090 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.899 8.415 2.872 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.620 9.168 5.273 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.405 11.536 1.845 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.882 12.897 1.857 1.00 0.00 C ATOM 1076 C GLU A 73 -1.555 13.366 0.442 1.00 0.00 C ATOM 1077 O GLU A 73 -1.808 14.516 0.083 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.631 12.978 2.734 1.00 0.00 C ATOM 1079 CG GLU A 73 -0.929 13.294 4.191 1.00 0.00 C ATOM 1080 CD GLU A 73 -1.148 12.047 5.025 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -0.451 11.040 4.782 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -2.016 12.079 5.922 1.00 0.00 O ATOM 0 H GLU A 73 -1.751 10.829 2.182 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.650 13.551 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.096 12.030 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.034 13.743 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.102 13.867 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.816 13.925 4.248 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.990 12.467 -0.357 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.629 12.787 -1.733 1.00 0.00 C ATOM 1091 C LYS A 74 -1.855 13.218 -2.532 1.00 0.00 C ATOM 1092 O LYS A 74 -1.854 14.270 -3.172 1.00 0.00 O ATOM 1093 CB LYS A 74 0.030 11.578 -2.403 1.00 0.00 C ATOM 1094 CG LYS A 74 0.285 11.770 -3.888 1.00 0.00 C ATOM 1095 CD LYS A 74 0.704 10.470 -4.553 1.00 0.00 C ATOM 1096 CE LYS A 74 1.420 10.724 -5.871 1.00 0.00 C ATOM 1097 NZ LYS A 74 1.598 9.471 -6.657 1.00 0.00 N ATOM 0 H LYS A 74 -0.772 11.511 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 74 0.079 13.615 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.976 11.368 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.606 10.704 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.617 12.151 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.063 12.520 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.359 9.912 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.175 9.850 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.852 11.444 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.395 11.171 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.090 9.687 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.162 8.793 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.667 9.058 -6.867 1.00 0.00 H new ATOM 1111 N THR A 75 -2.901 12.398 -2.490 1.00 0.00 N ATOM 1112 CA THR A 75 -4.133 12.695 -3.210 1.00 0.00 C ATOM 1113 C THR A 75 -4.998 13.682 -2.435 1.00 0.00 C ATOM 1114 O THR A 75 -5.432 14.699 -2.974 1.00 0.00 O ATOM 1115 CB THR A 75 -4.949 11.416 -3.478 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.254 10.761 -2.242 1.00 0.00 O ATOM 1117 CG2 THR A 75 -4.182 10.466 -4.385 1.00 0.00 C ATOM 0 H THR A 75 -2.919 11.524 -1.965 1.00 0.00 H new ATOM 0 HA THR A 75 -3.843 13.139 -4.162 1.00 0.00 H new ATOM 0 HB THR A 75 -5.876 11.700 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.430 10.403 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.778 9.570 -4.560 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.977 10.957 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.241 10.189 -3.909 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.245 13.376 -1.165 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.057 14.247 -0.335 1.00 0.00 C ATOM 1127 C GLY A 76 -7.254 13.531 0.260 1.00 0.00 C ATOM 1128 O GLY A 76 -8.348 14.091 0.333 1.00 0.00 O ATOM 0 H GLY A 76 -4.897 12.540 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.443 14.653 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.402 15.093 -0.930 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.047 12.289 0.685 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.118 11.495 1.277 1.00 0.00 C ATOM 1134 C HIS A 77 -7.841 11.222 2.752 1.00 0.00 C ATOM 1135 O HIS A 77 -6.825 11.656 3.295 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.277 10.174 0.523 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.654 9.592 0.620 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.727 10.072 -0.101 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.129 8.562 1.359 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -11.803 9.363 0.191 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.467 8.440 1.074 1.00 0.00 N ATOM 0 H HIS A 77 -6.148 11.811 0.631 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.045 12.064 1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.031 10.332 -0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.558 9.453 0.913 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.562 7.950 2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.790 9.513 -0.222 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.099 7.749 1.479 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.753 10.502 3.396 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.608 10.170 4.809 1.00 0.00 C ATOM 1152 C LYS A 78 -8.235 8.702 4.988 1.00 0.00 C ATOM 1153 O LYS A 78 -8.873 7.815 4.419 1.00 0.00 O ATOM 1154 CB LYS A 78 -9.906 10.473 5.561 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.072 11.939 5.922 1.00 0.00 C ATOM 1156 CD LYS A 78 -11.038 12.122 7.081 1.00 0.00 C ATOM 1157 CE LYS A 78 -11.012 13.548 7.609 1.00 0.00 C ATOM 1158 NZ LYS A 78 -11.999 14.416 6.909 1.00 0.00 N ATOM 0 H LYS A 78 -9.601 10.137 2.962 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.806 10.783 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.752 10.160 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.935 9.877 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.102 12.362 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.435 12.490 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.048 11.871 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.780 11.431 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.226 13.544 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.012 13.963 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.951 15.380 7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.780 14.441 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.957 14.035 7.048 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.200 8.452 5.782 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.744 7.090 6.038 1.00 0.00 C ATOM 1174 C LEU A 79 -7.350 6.545 7.327 1.00 0.00 C ATOM 1175 O LEU A 79 -7.197 7.136 8.396 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.217 7.051 6.123 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.612 5.805 6.772 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -4.963 4.562 5.969 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.103 5.950 6.901 1.00 0.00 C ATOM 0 H LEU A 79 -6.661 9.174 6.260 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.073 6.462 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.815 7.142 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.882 7.926 6.680 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.033 5.698 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.524 3.685 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.046 4.449 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.570 4.660 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.690 5.054 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.664 6.082 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.872 6.818 7.519 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.039 5.413 7.218 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.666 4.786 8.376 1.00 0.00 C ATOM 1193 C HIS A 80 -7.622 4.111 9.261 1.00 0.00 C ATOM 1194 O HIS A 80 -6.916 3.194 8.840 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.709 3.762 7.925 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.837 4.361 7.143 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.163 4.090 7.406 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.830 5.222 6.099 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.923 4.758 6.558 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.139 5.453 5.754 1.00 0.00 N ATOM 0 H HIS A 80 -8.177 4.912 6.340 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.160 5.565 8.957 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.220 3.001 7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.114 3.257 8.802 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.958 5.648 5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.002 4.739 6.527 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.455 6.062 4.999 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.521 4.574 10.515 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.566 4.029 11.485 1.00 0.00 C ATOM 1211 C PRO A 81 -6.933 2.618 11.931 1.00 0.00 C ATOM 1212 O PRO A 81 -8.044 2.139 11.703 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.660 5.004 12.662 1.00 0.00 C ATOM 1214 CG PRO A 81 -8.023 5.596 12.555 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.330 5.665 11.084 1.00 0.00 C ATOM 0 HA PRO A 81 -5.564 3.942 11.065 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.525 4.490 13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.889 5.772 12.602 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.757 4.983 13.079 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.055 6.587 13.007 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.393 5.522 10.888 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.056 6.631 10.661 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.981 1.936 12.584 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.182 0.570 13.076 1.00 0.00 C ATOM 1225 C PRO A 82 -7.160 0.514 14.245 1.00 0.00 C ATOM 1226 O PRO A 82 -7.904 1.463 14.492 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.783 0.146 13.529 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.085 1.423 13.848 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.634 2.445 12.891 1.00 0.00 C ATOM 0 HA PRO A 82 -6.612 -0.079 12.313 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.830 -0.508 14.400 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.263 -0.404 12.745 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.266 1.719 14.881 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.006 1.318 13.731 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.672 3.437 13.341 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.021 2.525 11.994 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.154 -0.604 14.963 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.038 -0.785 16.107 1.00 0.00 C ATOM 1239 C LYS A 83 -7.677 0.180 17.232 1.00 0.00 C ATOM 1240 O LYS A 83 -6.533 0.224 17.682 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.963 -2.227 16.614 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.737 -2.508 17.466 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.390 -3.988 17.472 1.00 0.00 C ATOM 1244 CE LYS A 83 -7.092 -4.720 18.606 1.00 0.00 C ATOM 1245 NZ LYS A 83 -6.537 -4.345 19.936 1.00 0.00 N ATOM 0 H LYS A 83 -6.545 -1.400 14.772 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.057 -0.573 15.783 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.858 -2.446 17.196 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.965 -2.904 15.760 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.890 -1.936 17.087 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.917 -2.171 18.487 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.674 -4.433 16.519 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.311 -4.110 17.571 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.158 -4.493 18.580 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.992 -5.796 18.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.766 -5.086 20.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.504 -4.244 19.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.953 -3.443 20.244 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.661 0.952 17.683 1.00 0.00 N ATOM 1260 CA GLY A 84 -8.426 1.905 18.752 1.00 0.00 C ATOM 1261 C GLY A 84 -7.386 2.944 18.385 1.00 0.00 C ATOM 1262 O GLY A 84 -6.470 3.216 19.161 1.00 0.00 O ATOM 0 H GLY A 84 -9.617 0.934 17.327 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.362 2.405 19.001 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.102 1.371 19.645 1.00 0.00 H new ATOM 1266 N TYR A 85 -7.525 3.524 17.198 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.586 4.536 16.727 1.00 0.00 C ATOM 1268 C TYR A 85 -7.298 5.590 15.885 1.00 0.00 C ATOM 1269 O TYR A 85 -8.262 5.291 15.179 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.468 3.885 15.911 1.00 0.00 C ATOM 1271 CG TYR A 85 -4.274 3.473 16.741 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -3.300 4.397 17.100 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -4.117 2.159 17.166 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -2.207 4.026 17.858 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -3.028 1.779 17.925 1.00 0.00 C ATOM 1276 CZ TYR A 85 -2.075 2.715 18.269 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.988 2.340 19.024 1.00 0.00 O ATOM 0 H TYR A 85 -8.279 3.311 16.544 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.152 5.026 17.599 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.866 3.008 15.401 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.140 4.581 15.139 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.400 5.424 16.780 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.860 1.422 16.898 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.460 4.758 18.128 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.923 0.754 18.248 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.047 1.384 19.231 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.816 6.825 15.964 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.403 7.926 15.208 1.00 0.00 C ATOM 1289 C LYS A 86 -6.461 8.391 14.103 1.00 0.00 C ATOM 1290 O LYS A 86 -5.241 8.348 14.258 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.730 9.095 16.140 1.00 0.00 C ATOM 1292 CG LYS A 86 -9.054 8.941 16.869 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.030 9.632 18.222 1.00 0.00 C ATOM 1294 CE LYS A 86 -8.253 8.821 19.248 1.00 0.00 C ATOM 1295 NZ LYS A 86 -9.053 7.680 19.774 1.00 0.00 N ATOM 0 H LYS A 86 -6.020 7.090 16.544 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.324 7.567 14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.931 9.198 16.874 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.750 10.017 15.559 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.856 9.359 16.260 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.275 7.882 17.004 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.579 10.619 18.120 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.051 9.783 18.573 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.337 8.443 18.794 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.957 9.468 20.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.489 7.152 20.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.915 8.041 20.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.314 7.049 18.990 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.035 8.836 12.990 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.244 9.310 11.860 1.00 0.00 C ATOM 1311 C GLU A 87 -5.136 10.249 12.327 1.00 0.00 C ATOM 1312 O GLU A 87 -3.973 10.085 11.960 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.140 10.025 10.846 1.00 0.00 C ATOM 1314 CG GLU A 87 -7.928 11.181 11.438 1.00 0.00 C ATOM 1315 CD GLU A 87 -8.929 11.765 10.461 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -8.516 12.148 9.347 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -10.126 11.841 10.811 1.00 0.00 O ATOM 0 H GLU A 87 -8.044 8.878 12.846 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.785 8.444 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.523 10.398 10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.836 9.304 10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.453 10.839 12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.237 11.962 11.755 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.507 11.235 13.139 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.544 12.201 13.655 1.00 0.00 C ATOM 1326 C GLU A 88 -3.605 11.547 14.664 1.00 0.00 C ATOM 1327 O GLU A 88 -2.413 11.851 14.704 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.271 13.379 14.308 1.00 0.00 C ATOM 1329 CG GLU A 88 -4.391 14.198 15.237 1.00 0.00 C ATOM 1330 CD GLU A 88 -5.085 15.445 15.750 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -6.319 15.400 15.942 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -4.396 16.465 15.958 1.00 0.00 O ATOM 0 H GLU A 88 -6.466 11.385 13.453 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.951 12.568 12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.665 14.030 13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.125 13.001 14.870 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.089 13.581 16.083 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.481 14.484 14.710 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.151 10.649 15.478 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.362 9.954 16.487 1.00 0.00 C ATOM 1341 C GLU A 89 -2.300 9.073 15.836 1.00 0.00 C ATOM 1342 O GLU A 89 -1.252 8.806 16.425 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.269 9.104 17.380 1.00 0.00 C ATOM 1344 CG GLU A 89 -3.511 8.129 18.265 1.00 0.00 C ATOM 1345 CD GLU A 89 -2.972 8.782 19.523 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -3.780 9.343 20.293 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -1.743 8.733 19.738 1.00 0.00 O ATOM 0 H GLU A 89 -5.136 10.386 15.458 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.861 10.704 17.099 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.867 9.764 18.009 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.964 8.547 16.752 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.171 7.306 18.541 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.684 7.699 17.700 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.579 8.623 14.617 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.649 7.770 13.885 1.00 0.00 C ATOM 1356 C PHE A 90 -0.849 8.583 12.872 1.00 0.00 C ATOM 1357 O PHE A 90 -1.415 9.308 12.055 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.407 6.648 13.173 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.507 5.627 12.537 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.777 4.745 13.318 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.390 5.550 11.158 1.00 0.00 C ATOM 1362 CE1 PHE A 90 0.051 3.804 12.736 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.563 4.611 10.571 1.00 0.00 C ATOM 1364 CZ PHE A 90 0.159 3.738 11.361 1.00 0.00 C ATOM 0 H PHE A 90 -3.441 8.835 14.115 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.954 7.331 14.601 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.060 6.149 13.890 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.049 7.083 12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.856 4.794 14.394 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.951 6.231 10.535 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.613 3.121 13.356 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.481 4.560 9.495 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.807 3.005 10.904 1.00 0.00 H new ATOM 1374 N ASN A 91 0.473 8.456 12.932 1.00 0.00 N ATOM 1375 CA ASN A 91 1.352 9.179 12.020 1.00 0.00 C ATOM 1376 C ASN A 91 2.332 8.227 11.340 1.00 0.00 C ATOM 1377 O ASN A 91 3.120 7.553 12.003 1.00 0.00 O ATOM 1378 CB ASN A 91 2.121 10.265 12.775 1.00 0.00 C ATOM 1379 CG ASN A 91 1.361 11.576 12.834 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.574 11.810 13.752 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.592 12.439 11.851 1.00 0.00 N ATOM 0 H ASN A 91 0.959 7.860 13.602 1.00 0.00 H new ATOM 0 HA ASN A 91 0.734 9.646 11.253 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.328 9.922 13.789 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.084 10.428 12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.109 13.337 11.837 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.253 12.204 11.110 1.00 0.00 H new ATOM 1388 N TRP A 92 2.275 8.177 10.014 1.00 0.00 N ATOM 1389 CA TRP A 92 3.158 7.309 9.244 1.00 0.00 C ATOM 1390 C TRP A 92 4.618 7.555 9.607 1.00 0.00 C ATOM 1391 O TRP A 92 5.257 6.718 10.243 1.00 0.00 O ATOM 1392 CB TRP A 92 2.947 7.533 7.745 1.00 0.00 C ATOM 1393 CG TRP A 92 1.901 6.640 7.152 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.659 7.007 6.719 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.005 5.230 6.927 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.015 5.910 6.239 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.789 4.808 6.355 1.00 0.00 C ATOM 1398 CE3 TRP A 92 3.008 4.283 7.152 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.551 3.481 6.007 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.770 2.966 6.807 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.551 2.575 6.238 1.00 0.00 C ATOM 0 H TRP A 92 1.627 8.727 9.450 1.00 0.00 H new ATOM 0 HA TRP A 92 2.913 6.275 9.488 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.665 8.572 7.577 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.891 7.370 7.224 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.264 8.012 6.749 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.961 5.916 5.858 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.952 4.575 7.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.389 3.177 5.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.537 2.225 6.979 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.397 1.539 5.976 1.00 0.00 H new ATOM 1412 N GLN A 93 5.138 8.708 9.200 1.00 0.00 N ATOM 1413 CA GLN A 93 6.524 9.063 9.484 1.00 0.00 C ATOM 1414 C GLN A 93 6.895 8.702 10.918 1.00 0.00 C ATOM 1415 O GLN A 93 7.900 8.034 11.162 1.00 0.00 O ATOM 1416 CB GLN A 93 6.748 10.557 9.247 1.00 0.00 C ATOM 1417 CG GLN A 93 5.684 11.440 9.878 1.00 0.00 C ATOM 1418 CD GLN A 93 5.615 12.815 9.243 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.144 13.788 9.781 1.00 0.00 O ATOM 1420 NE2 GLN A 93 4.959 12.903 8.091 1.00 0.00 N ATOM 0 H GLN A 93 4.621 9.412 8.673 1.00 0.00 H new ATOM 0 HA GLN A 93 7.164 8.495 8.809 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.723 10.837 9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.775 10.746 8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.713 10.953 9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.890 11.546 10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.536 12.071 7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.879 13.803 7.617 1.00 0.00 H new ATOM 1429 N THR A 94 6.078 9.150 11.867 1.00 0.00 N ATOM 1430 CA THR A 94 6.321 8.876 13.277 1.00 0.00 C ATOM 1431 C THR A 94 6.372 7.376 13.545 1.00 0.00 C ATOM 1432 O THR A 94 7.170 6.907 14.357 1.00 0.00 O ATOM 1433 CB THR A 94 5.235 9.508 14.168 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.139 10.912 13.902 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.545 9.285 15.640 1.00 0.00 C ATOM 0 H THR A 94 5.242 9.705 11.683 1.00 0.00 H new ATOM 0 HA THR A 94 7.286 9.320 13.523 1.00 0.00 H new ATOM 0 HB THR A 94 4.283 9.029 13.938 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.445 11.306 14.471 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.764 9.740 16.249 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.588 8.215 15.845 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.506 9.739 15.882 1.00 0.00 H new ATOM 1443 N TYR A 95 5.517 6.628 12.858 1.00 0.00 N ATOM 1444 CA TYR A 95 5.463 5.180 13.023 1.00 0.00 C ATOM 1445 C TYR A 95 6.614 4.504 12.284 1.00 0.00 C ATOM 1446 O TYR A 95 7.038 3.405 12.642 1.00 0.00 O ATOM 1447 CB TYR A 95 4.127 4.636 12.515 1.00 0.00 C ATOM 1448 CG TYR A 95 4.041 3.127 12.533 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.680 2.387 13.521 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.320 2.441 11.563 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.604 1.007 13.541 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.239 1.062 11.576 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.883 0.350 12.567 1.00 0.00 C ATOM 1454 OH TYR A 95 3.804 -1.024 12.584 1.00 0.00 O ATOM 0 H TYR A 95 4.851 7.000 12.181 1.00 0.00 H new ATOM 0 HA TYR A 95 5.557 4.958 14.086 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.322 5.045 13.126 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.965 4.989 11.496 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.245 2.899 14.286 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.815 2.995 10.786 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.107 0.447 14.315 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.675 0.544 10.815 1.00 0.00 H new ATOM 0 HH TYR A 95 3.258 -1.330 11.830 1.00 0.00 H new ATOM 1464 N LEU A 96 7.117 5.171 11.250 1.00 0.00 N ATOM 1465 CA LEU A 96 8.220 4.637 10.459 1.00 0.00 C ATOM 1466 C LEU A 96 9.564 5.039 11.058 1.00 0.00 C ATOM 1467 O LEU A 96 10.603 4.473 10.715 1.00 0.00 O ATOM 1468 CB LEU A 96 8.124 5.132 9.015 1.00 0.00 C ATOM 1469 CG LEU A 96 6.771 4.941 8.328 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.536 6.034 7.297 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.692 3.567 7.679 1.00 0.00 C ATOM 0 H LEU A 96 6.778 6.082 10.940 1.00 0.00 H new ATOM 0 HA LEU A 96 8.149 3.549 10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.370 6.194 8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.884 4.619 8.425 1.00 0.00 H new ATOM 0 HG LEU A 96 5.989 5.010 9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.568 5.881 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.548 7.007 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.323 5.999 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.723 3.448 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.483 3.470 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.814 2.797 8.441 1.00 0.00 H new ATOM 1483 N LYS A 97 9.537 6.017 11.956 1.00 0.00 N ATOM 1484 CA LYS A 97 10.752 6.493 12.607 1.00 0.00 C ATOM 1485 C LYS A 97 11.020 5.718 13.893 1.00 0.00 C ATOM 1486 O LYS A 97 12.171 5.477 14.257 1.00 0.00 O ATOM 1487 CB LYS A 97 10.638 7.988 12.914 1.00 0.00 C ATOM 1488 CG LYS A 97 10.012 8.286 14.265 1.00 0.00 C ATOM 1489 CD LYS A 97 11.061 8.367 15.361 1.00 0.00 C ATOM 1490 CE LYS A 97 11.947 9.592 15.194 1.00 0.00 C ATOM 1491 NZ LYS A 97 12.636 9.955 16.464 1.00 0.00 N ATOM 0 H LYS A 97 8.686 6.496 12.250 1.00 0.00 H new ATOM 0 HA LYS A 97 11.587 6.331 11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.632 8.435 12.877 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.044 8.466 12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.465 9.227 14.214 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.288 7.509 14.510 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.571 8.401 16.334 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.676 7.467 15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.690 9.400 14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.343 10.434 14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.230 10.794 16.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.927 10.163 17.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.232 9.162 16.775 1.00 0.00 H new ATOM 1505 N THR A 98 9.949 5.328 14.578 1.00 0.00 N ATOM 1506 CA THR A 98 10.069 4.580 15.823 1.00 0.00 C ATOM 1507 C THR A 98 10.389 3.114 15.554 1.00 0.00 C ATOM 1508 O THR A 98 11.008 2.443 16.381 1.00 0.00 O ATOM 1509 CB THR A 98 8.777 4.667 16.657 1.00 0.00 C ATOM 1510 OG1 THR A 98 9.008 4.154 17.973 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.651 3.888 15.994 1.00 0.00 C ATOM 0 H THR A 98 8.989 5.518 14.291 1.00 0.00 H new ATOM 0 HA THR A 98 10.887 5.031 16.386 1.00 0.00 H new ATOM 0 HB THR A 98 8.483 5.715 16.722 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.182 4.214 18.497 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.749 3.964 16.601 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.457 4.300 15.004 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.939 2.841 15.901 1.00 0.00 H new ATOM 1519 N CYS A 99 9.965 2.623 14.395 1.00 0.00 N ATOM 1520 CA CYS A 99 10.207 1.235 14.018 1.00 0.00 C ATOM 1521 C CYS A 99 11.157 1.153 12.828 1.00 0.00 C ATOM 1522 O CYS A 99 11.237 0.126 12.153 1.00 0.00 O ATOM 1523 CB CYS A 99 8.888 0.539 13.682 1.00 0.00 C ATOM 1524 SG CYS A 99 8.083 -0.243 15.100 1.00 0.00 S ATOM 0 H CYS A 99 9.452 3.165 13.700 1.00 0.00 H new ATOM 0 HA CYS A 99 10.670 0.729 14.865 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.205 1.269 13.247 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.073 -0.218 12.920 1.00 0.00 H new ATOM 0 HG CYS A 99 6.974 -0.803 14.715 1.00 0.00 H new ATOM 1530 N LYS A 100 11.875 2.242 12.574 1.00 0.00 N ATOM 1531 CA LYS A 100 12.821 2.294 11.465 1.00 0.00 C ATOM 1532 C LYS A 100 12.311 1.486 10.277 1.00 0.00 C ATOM 1533 O LYS A 100 13.079 0.795 9.608 1.00 0.00 O ATOM 1534 CB LYS A 100 14.187 1.766 11.907 1.00 0.00 C ATOM 1535 CG LYS A 100 14.659 2.334 13.234 1.00 0.00 C ATOM 1536 CD LYS A 100 14.095 1.552 14.408 1.00 0.00 C ATOM 1537 CE LYS A 100 14.934 1.746 15.662 1.00 0.00 C ATOM 1538 NZ LYS A 100 16.067 0.782 15.726 1.00 0.00 N ATOM 0 H LYS A 100 11.820 3.101 13.121 1.00 0.00 H new ATOM 0 HA LYS A 100 12.924 3.334 11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.140 0.680 11.983 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.924 2.000 11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.748 2.314 13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.356 3.378 13.312 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.071 1.872 14.601 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.056 0.492 14.156 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.322 2.764 15.685 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.304 1.625 16.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.614 0.947 16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.696 -0.190 15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.683 0.915 14.899 1.00 0.00 H new ATOM 1552 N ALA A 101 11.010 1.577 10.019 1.00 0.00 N ATOM 1553 CA ALA A 101 10.399 0.857 8.909 1.00 0.00 C ATOM 1554 C ALA A 101 10.461 1.674 7.623 1.00 0.00 C ATOM 1555 O ALA A 101 10.217 2.880 7.632 1.00 0.00 O ATOM 1556 CB ALA A 101 8.957 0.501 9.241 1.00 0.00 C ATOM 0 H ALA A 101 10.359 2.143 10.564 1.00 0.00 H new ATOM 0 HA ALA A 101 10.962 -0.063 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.513 -0.036 8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.933 -0.129 10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.391 1.413 9.428 1.00 0.00 H new ATOM 1562 N GLN A 102 10.791 1.009 6.520 1.00 0.00 N ATOM 1563 CA GLN A 102 10.887 1.676 5.227 1.00 0.00 C ATOM 1564 C GLN A 102 9.636 1.426 4.392 1.00 0.00 C ATOM 1565 O GLN A 102 9.354 0.294 4.001 1.00 0.00 O ATOM 1566 CB GLN A 102 12.125 1.191 4.470 1.00 0.00 C ATOM 1567 CG GLN A 102 13.436 1.602 5.120 1.00 0.00 C ATOM 1568 CD GLN A 102 14.640 0.954 4.467 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.843 1.070 3.258 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.449 0.266 5.265 1.00 0.00 N ATOM 0 H GLN A 102 10.996 0.010 6.496 1.00 0.00 H new ATOM 0 HA GLN A 102 10.975 2.748 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.092 0.104 4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.095 1.582 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.539 2.686 5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.413 1.335 6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.243 0.195 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.276 -0.192 4.881 1.00 0.00 H new ATOM 1579 N ALA A 103 8.888 2.492 4.123 1.00 0.00 N ATOM 1580 CA ALA A 103 7.667 2.388 3.333 1.00 0.00 C ATOM 1581 C ALA A 103 7.948 1.770 1.968 1.00 0.00 C ATOM 1582 O ALA A 103 8.930 2.113 1.310 1.00 0.00 O ATOM 1583 CB ALA A 103 7.025 3.758 3.172 1.00 0.00 C ATOM 0 H ALA A 103 9.106 3.436 4.440 1.00 0.00 H new ATOM 0 HA ALA A 103 6.975 1.734 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.114 3.666 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.780 4.163 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.720 4.428 2.666 1.00 0.00 H new ATOM 1589 N ALA A 104 7.079 0.856 1.548 1.00 0.00 N ATOM 1590 CA ALA A 104 7.233 0.191 0.260 1.00 0.00 C ATOM 1591 C ALA A 104 7.607 1.188 -0.832 1.00 0.00 C ATOM 1592 O ALA A 104 7.155 2.333 -0.842 1.00 0.00 O ATOM 1593 CB ALA A 104 5.954 -0.545 -0.111 1.00 0.00 C ATOM 0 H ALA A 104 6.261 0.559 2.081 1.00 0.00 H new ATOM 0 HA ALA A 104 8.043 -0.533 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.084 -1.037 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.730 -1.292 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.130 0.166 -0.174 1.00 0.00 H new ATOM 1599 N PRO A 105 8.453 0.746 -1.774 1.00 0.00 N ATOM 1600 CA PRO A 105 8.907 1.584 -2.887 1.00 0.00 C ATOM 1601 C PRO A 105 7.792 1.874 -3.886 1.00 0.00 C ATOM 1602 O PRO A 105 6.921 1.036 -4.121 1.00 0.00 O ATOM 1603 CB PRO A 105 10.005 0.742 -3.541 1.00 0.00 C ATOM 1604 CG PRO A 105 9.664 -0.665 -3.188 1.00 0.00 C ATOM 1605 CD PRO A 105 9.032 -0.608 -1.825 1.00 0.00 C ATOM 0 HA PRO A 105 9.247 2.563 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.024 0.886 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.991 1.017 -3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.979 -1.095 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.555 -1.292 -3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.269 -1.376 -1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.767 -0.761 -1.035 1.00 0.00 H new ATOM 1613 N LYS A 106 7.825 3.066 -4.473 1.00 0.00 N ATOM 1614 CA LYS A 106 6.818 3.467 -5.449 1.00 0.00 C ATOM 1615 C LYS A 106 6.850 2.553 -6.670 1.00 0.00 C ATOM 1616 O LYS A 106 5.810 2.245 -7.253 1.00 0.00 O ATOM 1617 CB LYS A 106 7.044 4.918 -5.878 1.00 0.00 C ATOM 1618 CG LYS A 106 8.421 5.171 -6.466 1.00 0.00 C ATOM 1619 CD LYS A 106 8.692 6.657 -6.634 1.00 0.00 C ATOM 1620 CE LYS A 106 7.877 7.246 -7.775 1.00 0.00 C ATOM 1621 NZ LYS A 106 8.489 8.496 -8.306 1.00 0.00 N ATOM 0 H LYS A 106 8.539 3.771 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 106 5.838 3.382 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.288 5.192 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.901 5.569 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.180 4.733 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.502 4.674 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.453 7.179 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.754 6.815 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.793 6.513 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.865 7.456 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.904 8.866 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.546 9.204 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.445 8.291 -8.661 1.00 0.00 H new ATOM 1635 N SER A 107 8.048 2.123 -7.050 1.00 0.00 N ATOM 1636 CA SER A 107 8.215 1.246 -8.204 1.00 0.00 C ATOM 1637 C SER A 107 7.129 0.175 -8.233 1.00 0.00 C ATOM 1638 O SER A 107 6.517 -0.078 -9.272 1.00 0.00 O ATOM 1639 CB SER A 107 9.596 0.589 -8.176 1.00 0.00 C ATOM 1640 OG SER A 107 10.625 1.563 -8.179 1.00 0.00 O ATOM 0 H SER A 107 8.918 2.367 -6.576 1.00 0.00 H new ATOM 0 HA SER A 107 8.128 1.852 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.686 -0.037 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.708 -0.066 -9.040 1.00 0.00 H new ATOM 0 HG SER A 107 11.497 1.117 -8.159 1.00 0.00 H new ATOM 1646 N LEU A 108 6.896 -0.453 -7.086 1.00 0.00 N ATOM 1647 CA LEU A 108 5.884 -1.498 -6.978 1.00 0.00 C ATOM 1648 C LEU A 108 4.569 -1.050 -7.607 1.00 0.00 C ATOM 1649 O LEU A 108 3.890 -1.831 -8.274 1.00 0.00 O ATOM 1650 CB LEU A 108 5.661 -1.869 -5.511 1.00 0.00 C ATOM 1651 CG LEU A 108 6.756 -2.712 -4.857 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.553 -2.777 -3.351 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.780 -4.112 -5.454 1.00 0.00 C ATOM 0 H LEU A 108 7.394 -0.257 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 108 6.243 -2.374 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.548 -0.949 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.718 -2.411 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 108 7.718 -2.238 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.342 -3.381 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.587 -1.770 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.584 -3.227 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.565 -4.698 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.817 -4.594 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.975 -4.048 -6.524 1.00 0.00 H new ATOM 1665 N PHE A 109 4.216 0.213 -7.391 1.00 0.00 N ATOM 1666 CA PHE A 109 2.982 0.765 -7.938 1.00 0.00 C ATOM 1667 C PHE A 109 3.274 1.665 -9.136 1.00 0.00 C ATOM 1668 O PHE A 109 2.652 2.714 -9.303 1.00 0.00 O ATOM 1669 CB PHE A 109 2.232 1.555 -6.864 1.00 0.00 C ATOM 1670 CG PHE A 109 2.283 0.917 -5.505 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.416 1.027 -4.716 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.198 0.206 -5.018 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.466 0.440 -3.465 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.241 -0.383 -3.768 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.377 -0.265 -2.991 1.00 0.00 C ATOM 0 H PHE A 109 4.766 0.873 -6.842 1.00 0.00 H new ATOM 0 HA PHE A 109 2.358 -0.064 -8.271 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.653 2.558 -6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.190 1.665 -7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.270 1.577 -5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.308 0.111 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.355 0.533 -2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.388 -0.934 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.414 -0.724 -2.014 1.00 0.00 H new ATOM 1685 N GLU A 110 4.223 1.245 -9.966 1.00 0.00 N ATOM 1686 CA GLU A 110 4.598 2.014 -11.148 1.00 0.00 C ATOM 1687 C GLU A 110 3.890 1.481 -12.390 1.00 0.00 C ATOM 1688 O GLU A 110 4.454 1.473 -13.483 1.00 0.00 O ATOM 1689 CB GLU A 110 6.114 1.969 -11.353 1.00 0.00 C ATOM 1690 CG GLU A 110 6.657 3.153 -12.135 1.00 0.00 C ATOM 1691 CD GLU A 110 7.902 2.807 -12.928 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.828 1.899 -13.782 1.00 0.00 O ATOM 1693 OE2 GLU A 110 8.950 3.444 -12.694 1.00 0.00 O ATOM 0 H GLU A 110 4.746 0.378 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 110 4.290 3.048 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.603 1.932 -10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.374 1.049 -11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.887 3.518 -12.815 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.884 3.966 -11.445 1.00 0.00 H new ATOM 1700 N ASN A 111 2.650 1.037 -12.213 1.00 0.00 N ATOM 1701 CA ASN A 111 1.864 0.501 -13.318 1.00 0.00 C ATOM 1702 C ASN A 111 0.723 1.446 -13.683 1.00 0.00 C ATOM 1703 O ASN A 111 0.468 1.701 -14.860 1.00 0.00 O ATOM 1704 CB ASN A 111 1.304 -0.875 -12.954 1.00 0.00 C ATOM 1705 CG ASN A 111 2.353 -1.967 -13.038 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.231 -2.901 -13.830 1.00 0.00 O ATOM 1707 ND2 ASN A 111 3.392 -1.854 -12.218 1.00 0.00 N ATOM 0 H ASN A 111 2.168 1.038 -11.314 1.00 0.00 H new ATOM 0 HA ASN A 111 2.521 0.401 -14.182 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.897 -0.843 -11.943 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.478 -1.116 -13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.129 -2.559 -12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.452 -1.063 -11.577 1.00 0.00 H new ATOM 1714 N GLN A 112 0.043 1.964 -12.666 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.071 2.881 -12.879 1.00 0.00 C ATOM 1716 C GLN A 112 -0.591 4.181 -13.516 1.00 0.00 C ATOM 1717 O GLN A 112 -1.213 4.696 -14.444 1.00 0.00 O ATOM 1718 CB GLN A 112 -1.776 3.178 -11.555 1.00 0.00 C ATOM 1719 CG GLN A 112 -0.886 3.867 -10.533 1.00 0.00 C ATOM 1720 CD GLN A 112 -1.550 4.000 -9.177 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -2.422 4.847 -8.980 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -1.141 3.161 -8.232 1.00 0.00 N ATOM 0 H GLN A 112 0.244 1.765 -11.686 1.00 0.00 H new ATOM 0 HA GLN A 112 -1.777 2.403 -13.558 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.646 3.806 -11.749 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.145 2.244 -11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.041 3.304 -10.426 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.617 4.857 -10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.415 2.474 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.552 3.203 -7.300 1.00 0.00 H new ATOM 1731 N ASN A 113 0.521 4.706 -13.011 1.00 0.00 N ATOM 1732 CA ASN A 113 1.084 5.947 -13.530 1.00 0.00 C ATOM 1733 C ASN A 113 1.923 5.684 -14.777 1.00 0.00 C ATOM 1734 O ASN A 113 2.181 4.534 -15.132 1.00 0.00 O ATOM 1735 CB ASN A 113 1.939 6.630 -12.460 1.00 0.00 C ATOM 1736 CG ASN A 113 1.198 6.801 -11.149 1.00 0.00 C ATOM 1737 OD1 ASN A 113 1.267 5.943 -10.268 1.00 0.00 O ATOM 1738 ND2 ASN A 113 0.483 7.911 -11.014 1.00 0.00 N ATOM 0 H ASN A 113 1.050 4.291 -12.243 1.00 0.00 H new ATOM 0 HA ASN A 113 0.259 6.606 -13.801 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.841 6.042 -12.290 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.259 7.607 -12.823 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.038 8.080 -10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.455 8.595 -11.770 1.00 0.00 H new ATOM 1745 N ILE A 114 2.346 6.758 -15.435 1.00 0.00 N ATOM 1746 CA ILE A 114 3.157 6.643 -16.641 1.00 0.00 C ATOM 1747 C ILE A 114 4.636 6.847 -16.330 1.00 0.00 C ATOM 1748 O ILE A 114 5.012 7.791 -15.633 1.00 0.00 O ATOM 1749 CB ILE A 114 2.724 7.663 -17.711 1.00 0.00 C ATOM 1750 CG1 ILE A 114 1.245 7.474 -18.056 1.00 0.00 C ATOM 1751 CG2 ILE A 114 3.586 7.523 -18.956 1.00 0.00 C ATOM 1752 CD1 ILE A 114 0.900 6.066 -18.486 1.00 0.00 C ATOM 0 H ILE A 114 2.141 7.717 -15.154 1.00 0.00 H new ATOM 0 HA ILE A 114 3.005 5.636 -17.029 1.00 0.00 H new ATOM 0 HB ILE A 114 2.860 8.668 -17.311 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.641 7.738 -17.188 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.975 8.165 -18.854 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.268 8.250 -19.703 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.630 7.701 -18.698 1.00 0.00 H new ATOM 0 HG23 ILE A 114 3.479 6.517 -19.361 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.164 6.006 -18.715 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.477 5.805 -19.373 1.00 0.00 H new ATOM 0 HD13 ILE A 114 1.138 5.371 -17.681 1.00 0.00 H new ATOM 1764 N THR A 115 5.474 5.957 -16.854 1.00 0.00 N ATOM 1765 CA THR A 115 6.912 6.040 -16.633 1.00 0.00 C ATOM 1766 C THR A 115 7.461 7.389 -17.082 1.00 0.00 C ATOM 1767 O THR A 115 7.313 7.777 -18.241 1.00 0.00 O ATOM 1768 CB THR A 115 7.660 4.920 -17.381 1.00 0.00 C ATOM 1769 OG1 THR A 115 7.214 3.640 -16.920 1.00 0.00 O ATOM 1770 CG2 THR A 115 9.162 5.043 -17.177 1.00 0.00 C ATOM 0 H THR A 115 5.181 5.171 -17.434 1.00 0.00 H new ATOM 0 HA THR A 115 7.074 5.924 -15.561 1.00 0.00 H new ATOM 0 HB THR A 115 7.445 5.017 -18.445 1.00 0.00 H new ATOM 0 HG1 THR A 115 7.693 2.934 -17.402 1.00 0.00 H new ATOM 0 HG21 THR A 115 9.669 4.242 -17.714 1.00 0.00 H new ATOM 0 HG22 THR A 115 9.503 6.006 -17.556 1.00 0.00 H new ATOM 0 HG23 THR A 115 9.392 4.969 -16.114 1.00 0.00 H new ATOM 1778 N VAL A 116 8.096 8.102 -16.156 1.00 0.00 N ATOM 1779 CA VAL A 116 8.668 9.408 -16.457 1.00 0.00 C ATOM 1780 C VAL A 116 10.019 9.587 -15.774 1.00 0.00 C ATOM 1781 O VAL A 116 10.197 9.201 -14.618 1.00 0.00 O ATOM 1782 CB VAL A 116 7.729 10.548 -16.018 1.00 0.00 C ATOM 1783 CG1 VAL A 116 8.362 11.901 -16.304 1.00 0.00 C ATOM 1784 CG2 VAL A 116 6.381 10.423 -16.712 1.00 0.00 C ATOM 0 H VAL A 116 8.227 7.796 -15.192 1.00 0.00 H new ATOM 0 HA VAL A 116 8.801 9.453 -17.538 1.00 0.00 H new ATOM 0 HB VAL A 116 7.568 10.470 -14.943 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.684 12.694 -15.987 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.301 11.986 -15.757 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.555 11.994 -17.373 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.730 11.236 -16.391 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.521 10.475 -17.792 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.925 9.468 -16.451 1.00 0.00 H new ATOM 1794 N ILE A 117 10.968 10.173 -16.495 1.00 0.00 N ATOM 1795 CA ILE A 117 12.303 10.404 -15.957 1.00 0.00 C ATOM 1796 C ILE A 117 12.252 11.299 -14.724 1.00 0.00 C ATOM 1797 O ILE A 117 11.374 12.150 -14.580 1.00 0.00 O ATOM 1798 CB ILE A 117 13.229 11.048 -17.006 1.00 0.00 C ATOM 1799 CG1 ILE A 117 12.669 12.400 -17.452 1.00 0.00 C ATOM 1800 CG2 ILE A 117 13.402 10.120 -18.200 1.00 0.00 C ATOM 1801 CD1 ILE A 117 13.157 13.561 -16.614 1.00 0.00 C ATOM 0 H ILE A 117 10.838 10.497 -17.453 1.00 0.00 H new ATOM 0 HA ILE A 117 12.704 9.429 -15.679 1.00 0.00 H new ATOM 0 HB ILE A 117 14.207 11.213 -16.554 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.943 12.573 -18.493 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.580 12.365 -17.411 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.059 10.589 -18.933 1.00 0.00 H new ATOM 0 HG22 ILE A 117 13.841 9.179 -17.869 1.00 0.00 H new ATOM 0 HG23 ILE A 117 12.430 9.927 -18.655 1.00 0.00 H new ATOM 0 HD11 ILE A 117 12.720 14.488 -16.987 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.859 13.411 -15.576 1.00 0.00 H new ATOM 0 HD13 ILE A 117 14.244 13.622 -16.675 1.00 0.00 H new ATOM 1813 N PRO A 118 13.216 11.106 -13.812 1.00 0.00 N ATOM 1814 CA PRO A 118 13.304 11.888 -12.575 1.00 0.00 C ATOM 1815 C PRO A 118 13.703 13.337 -12.833 1.00 0.00 C ATOM 1816 O PRO A 118 14.887 13.674 -12.839 1.00 0.00 O ATOM 1817 CB PRO A 118 14.394 11.168 -11.777 1.00 0.00 C ATOM 1818 CG PRO A 118 15.232 10.491 -12.806 1.00 0.00 C ATOM 1819 CD PRO A 118 14.295 10.109 -13.918 1.00 0.00 C ATOM 0 HA PRO A 118 12.345 11.944 -12.059 1.00 0.00 H new ATOM 0 HB2 PRO A 118 14.982 11.871 -11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.964 10.448 -11.080 1.00 0.00 H new ATOM 0 HG2 PRO A 118 16.017 11.155 -13.168 1.00 0.00 H new ATOM 0 HG3 PRO A 118 15.724 9.611 -12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.787 10.151 -14.890 1.00 0.00 H new ATOM 0 HD3 PRO A 118 13.918 9.094 -13.795 1.00 0.00 H new ATOM 1827 N SER A 119 12.707 14.191 -13.045 1.00 0.00 N ATOM 1828 CA SER A 119 12.954 15.604 -13.306 1.00 0.00 C ATOM 1829 C SER A 119 14.008 16.157 -12.351 1.00 0.00 C ATOM 1830 O SER A 119 15.010 16.729 -12.778 1.00 0.00 O ATOM 1831 CB SER A 119 11.657 16.404 -13.171 1.00 0.00 C ATOM 1832 OG SER A 119 11.846 17.752 -13.566 1.00 0.00 O ATOM 0 H SER A 119 11.721 13.929 -13.041 1.00 0.00 H new ATOM 0 HA SER A 119 13.327 15.700 -14.326 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.879 15.948 -13.783 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.311 16.370 -12.138 1.00 0.00 H new ATOM 0 HG SER A 119 11.002 18.242 -13.472 1.00 0.00 H new ATOM 1838 N GLY A 120 13.772 15.982 -11.054 1.00 0.00 N ATOM 1839 CA GLY A 120 14.709 16.469 -10.058 1.00 0.00 C ATOM 1840 C GLY A 120 14.026 17.251 -8.954 1.00 0.00 C ATOM 1841 O GLY A 120 13.824 16.738 -7.853 1.00 0.00 O ATOM 0 H GLY A 120 12.950 15.512 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 120 15.244 15.625 -9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 120 15.452 17.103 -10.542 1.00 0.00 H new ATOM 1845 N PHE A 121 13.670 18.498 -9.246 1.00 0.00 N ATOM 1846 CA PHE A 121 13.008 19.353 -8.268 1.00 0.00 C ATOM 1847 C PHE A 121 12.159 20.415 -8.961 1.00 0.00 C ATOM 1848 O PHE A 121 12.314 20.667 -10.156 1.00 0.00 O ATOM 1849 CB PHE A 121 14.043 20.024 -7.363 1.00 0.00 C ATOM 1850 CG PHE A 121 13.449 20.646 -6.131 1.00 0.00 C ATOM 1851 CD1 PHE A 121 13.256 19.893 -4.984 1.00 0.00 C ATOM 1852 CD2 PHE A 121 13.084 21.982 -6.121 1.00 0.00 C ATOM 1853 CE1 PHE A 121 12.709 20.463 -3.849 1.00 0.00 C ATOM 1854 CE2 PHE A 121 12.537 22.557 -4.989 1.00 0.00 C ATOM 1855 CZ PHE A 121 12.349 21.796 -3.852 1.00 0.00 C ATOM 0 H PHE A 121 13.829 18.939 -10.152 1.00 0.00 H new ATOM 0 HA PHE A 121 12.354 18.728 -7.660 1.00 0.00 H new ATOM 0 HB2 PHE A 121 14.787 19.285 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 121 14.567 20.792 -7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 121 13.536 18.850 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 121 13.228 22.581 -7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 121 12.563 19.866 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 121 12.257 23.600 -4.994 1.00 0.00 H new ATOM 0 HZ PHE A 121 11.921 22.243 -2.967 1.00 0.00 H new ATOM 1865 N SER A 122 11.259 21.033 -8.202 1.00 0.00 N ATOM 1866 CA SER A 122 10.382 22.064 -8.743 1.00 0.00 C ATOM 1867 C SER A 122 9.709 22.848 -7.620 1.00 0.00 C ATOM 1868 O SER A 122 9.754 22.451 -6.457 1.00 0.00 O ATOM 1869 CB SER A 122 9.320 21.436 -9.649 1.00 0.00 C ATOM 1870 OG SER A 122 8.641 20.384 -8.986 1.00 0.00 O ATOM 0 H SER A 122 11.119 20.837 -7.211 1.00 0.00 H new ATOM 0 HA SER A 122 10.990 22.752 -9.330 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.604 22.198 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 122 9.790 21.055 -10.556 1.00 0.00 H new ATOM 0 HG SER A 122 7.967 20.001 -9.585 1.00 0.00 H new ATOM 1876 N GLY A 123 9.084 23.965 -7.980 1.00 0.00 N ATOM 1877 CA GLY A 123 8.410 24.789 -6.992 1.00 0.00 C ATOM 1878 C GLY A 123 9.252 25.969 -6.551 1.00 0.00 C ATOM 1879 O GLY A 123 9.938 25.922 -5.530 1.00 0.00 O ATOM 0 H GLY A 123 9.032 24.314 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.470 25.152 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.161 24.179 -6.123 1.00 0.00 H new ATOM 1883 N PRO A 124 9.206 27.059 -7.332 1.00 0.00 N ATOM 1884 CA PRO A 124 9.965 28.277 -7.036 1.00 0.00 C ATOM 1885 C PRO A 124 9.429 29.012 -5.813 1.00 0.00 C ATOM 1886 O PRO A 124 8.273 28.836 -5.428 1.00 0.00 O ATOM 1887 CB PRO A 124 9.777 29.127 -8.296 1.00 0.00 C ATOM 1888 CG PRO A 124 8.494 28.652 -8.885 1.00 0.00 C ATOM 1889 CD PRO A 124 8.409 27.185 -8.564 1.00 0.00 C ATOM 0 HA PRO A 124 11.007 28.061 -6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 124 9.733 30.189 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.606 28.993 -8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 124 7.647 29.193 -8.464 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.474 28.818 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.378 26.866 -8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.815 26.573 -9.370 1.00 0.00 H new ATOM 1897 N SER A 125 10.275 29.837 -5.205 1.00 0.00 N ATOM 1898 CA SER A 125 9.887 30.597 -4.022 1.00 0.00 C ATOM 1899 C SER A 125 9.255 31.928 -4.416 1.00 0.00 C ATOM 1900 O SER A 125 9.530 32.466 -5.488 1.00 0.00 O ATOM 1901 CB SER A 125 11.102 30.841 -3.125 1.00 0.00 C ATOM 1902 OG SER A 125 10.709 31.033 -1.777 1.00 0.00 O ATOM 0 H SER A 125 11.234 29.997 -5.512 1.00 0.00 H new ATOM 0 HA SER A 125 9.150 30.013 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.783 29.993 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.648 31.717 -3.476 1.00 0.00 H new ATOM 0 HG SER A 125 11.503 31.185 -1.223 1.00 0.00 H new ATOM 1908 N SER A 126 8.406 32.455 -3.539 1.00 0.00 N ATOM 1909 CA SER A 126 7.730 33.722 -3.795 1.00 0.00 C ATOM 1910 C SER A 126 8.700 34.892 -3.657 1.00 0.00 C ATOM 1911 O SER A 126 9.865 34.709 -3.307 1.00 0.00 O ATOM 1912 CB SER A 126 6.556 33.902 -2.831 1.00 0.00 C ATOM 1913 OG SER A 126 5.669 34.907 -3.290 1.00 0.00 O ATOM 0 H SER A 126 8.170 32.024 -2.645 1.00 0.00 H new ATOM 0 HA SER A 126 7.352 33.704 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 126 6.019 32.959 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 126 6.931 34.167 -1.842 1.00 0.00 H new ATOM 0 HG SER A 126 4.926 35.002 -2.658 1.00 0.00 H new ATOM 1919 N GLY A 127 8.209 36.096 -3.936 1.00 0.00 N ATOM 1920 CA GLY A 127 9.044 37.278 -3.838 1.00 0.00 C ATOM 1921 C GLY A 127 8.990 37.914 -2.463 1.00 0.00 C ATOM 1922 O GLY A 127 7.939 38.387 -2.031 1.00 0.00 O ATOM 0 H GLY A 127 7.248 36.273 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 127 10.075 37.011 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 127 8.727 38.006 -4.584 1.00 0.00 H new TER 1926 GLY A 127