USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1048 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: B 31 HIS : no HD1:sc= -0.368 K(o=-0.51,f=-1.3) USER MOD Set 1.2: B 32 CYS SG : rot 80:sc= -0.138 USER MOD Set 2.1: B 8 HIS : no HD1:sc= -0.458 K(o=-0.49,f=-5!) USER MOD Set 2.2: B 10 HIS : no HE2:sc= -0.0304 K(o=-0.49,f=-1) USER MOD Set 3.1: A 29 MET CE :methyl 153:sc= -2.76! (180deg=-1.87) USER MOD Set 3.2: A 33 TYR OH : rot 132:sc= 1.01 USER MOD Set 3.3: B 29 MET CE :methyl 174:sc= -1.64 (180deg=-1.34) USER MOD Set 3.4: B 33 TYR OH : rot -164:sc= 0.975 USER MOD Set 3.5: B 51 GLN : amide:sc= -0.265 X(o=-2.7,f=-2.7) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.0856 K(o=-1.5,f=-0.25) USER MOD Set 4.2: A 5 HIS : no HD1:sc= -0.668 K(o=-1.5,f=-0.19) USER MOD Set 4.3: A 7 HIS : no HD1:sc= -0.777 K(o=-1.5,f=0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1 (180deg=0.33!) USER MOD Single : A 4 HIS : no HD1:sc= -0.308 K(o=-0.31,f=-0.97) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0343 X(o=-0.034,f=-0.09) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -171:sc=-0.00945 (180deg=-0.102) USER MOD Single : A 24 SER OG : rot 170:sc= -0.568 USER MOD Single : A 30 ASN : amide:sc=-0.00198 X(o=-0.002,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 32 CYS SG : rot 70:sc= 0.893 USER MOD Single : A 34 SER OG : rot -73:sc= 0.177 USER MOD Single : A 47 THR OG1 : rot -140:sc= -1.12 USER MOD Single : A 48 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.36) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.816 K(o=-0.82,f=-0.011) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0748) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : B 4 HIS : no HD1:sc= -0.427 K(o=-0.43,f=-1.7) USER MOD Single : B 5 HIS : no HD1:sc=-0.00369 X(o=-0.0037,f=-0.27) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 7 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : B 9 SER OG : rot -47:sc= 0.46 USER MOD Single : B 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 30 ASN : amide:sc= -2.45! K(o=-2.5!,f=-0.47) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -160:sc= -0.487 USER MOD Single : B 48 GLN : amide:sc= -0.856 K(o=-0.86,f=-0.0061) USER MOD Single : B 50 SER OG : rot 104:sc= -0.26 USER MOD Single : B 56 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.15) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.248 -21.334 -1.121 1.00 44.41 N ATOM 2 CA MET A 1 20.712 -20.078 -0.529 1.00 63.35 C ATOM 3 C MET A 1 19.201 -20.232 -0.246 1.00 72.02 C ATOM 4 O MET A 1 18.463 -20.734 -1.100 1.00 74.35 O ATOM 5 CB MET A 1 20.961 -18.864 -1.479 1.00 11.52 C ATOM 6 CG MET A 1 22.438 -18.603 -1.823 1.00 61.53 C ATOM 7 SD MET A 1 23.187 -19.960 -2.755 1.00 3.25 S ATOM 8 CE MET A 1 24.849 -19.345 -3.036 1.00 54.31 C ATOM 0 H1 MET A 1 22.065 -21.112 -1.725 1.00 44.41 H new ATOM 0 H2 MET A 1 21.544 -21.978 -0.360 1.00 44.41 H new ATOM 0 H3 MET A 1 20.509 -21.791 -1.693 1.00 44.41 H new ATOM 0 HA MET A 1 21.234 -19.889 0.409 1.00 63.35 H new ATOM 0 HB2 MET A 1 20.411 -19.027 -2.406 1.00 11.52 H new ATOM 0 HB3 MET A 1 20.547 -17.968 -1.016 1.00 11.52 H new ATOM 0 HG2 MET A 1 22.515 -17.683 -2.403 1.00 61.53 H new ATOM 0 HG3 MET A 1 22.999 -18.447 -0.902 1.00 61.53 H new ATOM 0 HE1 MET A 1 25.419 -20.083 -3.600 1.00 54.31 H new ATOM 0 HE2 MET A 1 24.802 -18.414 -3.601 1.00 54.31 H new ATOM 0 HE3 MET A 1 25.337 -19.164 -2.078 1.00 54.31 H new ATOM 20 N GLY A 2 18.752 -19.808 0.950 1.00 44.21 N ATOM 21 CA GLY A 2 17.328 -19.860 1.310 1.00 1.11 C ATOM 22 C GLY A 2 17.022 -19.277 2.692 1.00 42.21 C ATOM 23 O GLY A 2 17.839 -19.374 3.613 1.00 43.11 O ATOM 0 H GLY A 2 19.355 -19.427 1.679 1.00 44.21 H new ATOM 0 HA2 GLY A 2 16.753 -19.317 0.560 1.00 1.11 H new ATOM 0 HA3 GLY A 2 16.992 -20.897 1.280 1.00 1.11 H new ATOM 27 N HIS A 3 15.829 -18.669 2.835 1.00 21.23 N ATOM 28 CA HIS A 3 15.309 -18.164 4.135 1.00 33.30 C ATOM 29 C HIS A 3 14.476 -19.260 4.852 1.00 52.01 C ATOM 30 O HIS A 3 14.199 -20.315 4.272 1.00 43.43 O ATOM 31 CB HIS A 3 14.450 -16.890 3.904 1.00 74.00 C ATOM 32 CG HIS A 3 13.203 -17.120 3.075 1.00 73.30 C ATOM 33 ND1 HIS A 3 12.006 -17.452 3.665 1.00 14.23 N ATOM 34 CD2 HIS A 3 13.025 -17.078 1.727 1.00 32.42 C ATOM 35 CE1 HIS A 3 11.143 -17.607 2.684 1.00 3.33 C ATOM 36 NE2 HIS A 3 11.711 -17.390 1.491 1.00 21.30 N ATOM 0 H HIS A 3 15.192 -18.510 2.055 1.00 21.23 H new ATOM 0 HA HIS A 3 16.154 -17.907 4.774 1.00 33.30 H new ATOM 0 HB2 HIS A 3 14.158 -16.482 4.872 1.00 74.00 H new ATOM 0 HB3 HIS A 3 15.065 -16.136 3.413 1.00 74.00 H new ATOM 0 HD2 HIS A 3 13.774 -16.844 0.985 1.00 32.42 H new ATOM 0 HE1 HIS A 3 10.106 -17.876 2.824 1.00 3.33 H new ATOM 0 HE2 HIS A 3 11.254 -17.446 0.581 1.00 21.30 H new ATOM 44 N HIS A 4 14.066 -19.003 6.110 1.00 63.01 N ATOM 45 CA HIS A 4 13.253 -19.963 6.900 1.00 42.03 C ATOM 46 C HIS A 4 12.303 -19.229 7.889 1.00 32.34 C ATOM 47 O HIS A 4 12.751 -18.611 8.862 1.00 64.31 O ATOM 48 CB HIS A 4 14.181 -20.980 7.640 1.00 52.14 C ATOM 49 CG HIS A 4 15.240 -20.362 8.535 1.00 10.11 C ATOM 50 ND1 HIS A 4 16.227 -19.558 8.015 1.00 14.34 N ATOM 51 CD2 HIS A 4 15.419 -20.456 9.879 1.00 12.43 C ATOM 52 CE1 HIS A 4 16.972 -19.183 9.036 1.00 63.35 C ATOM 53 NE2 HIS A 4 16.522 -19.699 10.182 1.00 43.33 N ATOM 0 H HIS A 4 14.283 -18.138 6.606 1.00 63.01 H new ATOM 0 HA HIS A 4 12.620 -20.521 6.210 1.00 42.03 H new ATOM 0 HB2 HIS A 4 13.559 -21.641 8.244 1.00 52.14 H new ATOM 0 HB3 HIS A 4 14.677 -21.602 6.895 1.00 52.14 H new ATOM 0 HD2 HIS A 4 14.811 -21.017 10.573 1.00 12.43 H new ATOM 0 HE1 HIS A 4 17.836 -18.540 8.956 1.00 63.35 H new ATOM 0 HE2 HIS A 4 16.923 -19.557 11.109 1.00 43.33 H new ATOM 61 N HIS A 5 10.986 -19.288 7.600 1.00 3.14 N ATOM 62 CA HIS A 5 9.918 -18.769 8.490 1.00 15.11 C ATOM 63 C HIS A 5 8.544 -19.362 8.088 1.00 40.10 C ATOM 64 O HIS A 5 8.395 -19.934 6.999 1.00 13.11 O ATOM 65 CB HIS A 5 9.867 -17.207 8.469 1.00 74.30 C ATOM 66 CG HIS A 5 9.386 -16.596 7.167 1.00 10.31 C ATOM 67 ND1 HIS A 5 8.056 -16.297 6.963 1.00 63.30 N ATOM 68 CD2 HIS A 5 10.083 -16.249 6.051 1.00 54.42 C ATOM 69 CE1 HIS A 5 7.975 -15.783 5.753 1.00 51.35 C ATOM 70 NE2 HIS A 5 9.173 -15.735 5.160 1.00 1.14 N ATOM 0 H HIS A 5 10.628 -19.699 6.738 1.00 3.14 H new ATOM 0 HA HIS A 5 10.151 -19.080 9.508 1.00 15.11 H new ATOM 0 HB2 HIS A 5 9.214 -16.870 9.274 1.00 74.30 H new ATOM 0 HB3 HIS A 5 10.864 -16.824 8.686 1.00 74.30 H new ATOM 0 HD2 HIS A 5 11.146 -16.357 5.896 1.00 54.42 H new ATOM 0 HE1 HIS A 5 7.057 -15.443 5.297 1.00 51.35 H new ATOM 0 HE2 HIS A 5 9.373 -15.383 4.224 1.00 1.14 H new ATOM 78 N HIS A 6 7.547 -19.218 8.977 1.00 63.05 N ATOM 79 CA HIS A 6 6.158 -19.657 8.726 1.00 10.21 C ATOM 80 C HIS A 6 5.188 -18.758 9.537 1.00 53.10 C ATOM 81 O HIS A 6 4.998 -18.963 10.739 1.00 12.33 O ATOM 82 CB HIS A 6 5.993 -21.160 9.103 1.00 11.11 C ATOM 83 CG HIS A 6 4.618 -21.735 8.831 1.00 10.13 C ATOM 84 ND1 HIS A 6 4.275 -22.212 7.586 1.00 0.51 N ATOM 85 CD2 HIS A 6 3.557 -21.899 9.668 1.00 33.10 C ATOM 86 CE1 HIS A 6 3.036 -22.649 7.692 1.00 34.42 C ATOM 87 NE2 HIS A 6 2.565 -22.477 8.929 1.00 45.51 N ATOM 0 H HIS A 6 7.679 -18.792 9.895 1.00 63.05 H new ATOM 0 HA HIS A 6 5.922 -19.557 7.667 1.00 10.21 H new ATOM 0 HB2 HIS A 6 6.731 -21.742 8.551 1.00 11.11 H new ATOM 0 HB3 HIS A 6 6.219 -21.282 10.162 1.00 11.11 H new ATOM 0 HD2 HIS A 6 3.509 -21.626 10.712 1.00 33.10 H new ATOM 0 HE1 HIS A 6 2.474 -23.090 6.882 1.00 34.42 H new ATOM 0 HE2 HIS A 6 1.635 -22.731 9.261 1.00 45.51 H new ATOM 95 N HIS A 7 4.626 -17.730 8.875 1.00 50.33 N ATOM 96 CA HIS A 7 3.722 -16.743 9.519 1.00 62.22 C ATOM 97 C HIS A 7 2.364 -16.658 8.785 1.00 40.12 C ATOM 98 O HIS A 7 2.313 -16.570 7.554 1.00 2.12 O ATOM 99 CB HIS A 7 4.389 -15.340 9.556 1.00 75.13 C ATOM 100 CG HIS A 7 5.654 -15.291 10.375 1.00 62.24 C ATOM 101 ND1 HIS A 7 5.623 -15.111 11.738 1.00 71.04 N ATOM 102 CD2 HIS A 7 6.944 -15.422 9.981 1.00 74.53 C ATOM 103 CE1 HIS A 7 6.880 -15.137 12.137 1.00 4.20 C ATOM 104 NE2 HIS A 7 7.714 -15.322 11.108 1.00 71.12 N ATOM 0 H HIS A 7 4.781 -17.555 7.882 1.00 50.33 H new ATOM 0 HA HIS A 7 3.538 -17.081 10.539 1.00 62.22 H new ATOM 0 HB2 HIS A 7 4.615 -15.028 8.536 1.00 75.13 H new ATOM 0 HB3 HIS A 7 3.677 -14.620 9.960 1.00 75.13 H new ATOM 0 HD2 HIS A 7 7.297 -15.576 8.972 1.00 74.53 H new ATOM 0 HE1 HIS A 7 7.195 -15.023 13.164 1.00 4.20 H new ATOM 0 HE2 HIS A 7 8.731 -15.378 11.154 1.00 71.12 H new ATOM 112 N HIS A 8 1.273 -16.683 9.566 1.00 5.11 N ATOM 113 CA HIS A 8 -0.105 -16.510 9.063 1.00 33.33 C ATOM 114 C HIS A 8 -0.929 -15.649 10.054 1.00 64.44 C ATOM 115 O HIS A 8 -1.013 -15.960 11.246 1.00 50.13 O ATOM 116 CB HIS A 8 -0.783 -17.894 8.788 1.00 33.11 C ATOM 117 CG HIS A 8 -0.647 -18.925 9.895 1.00 23.23 C ATOM 118 ND1 HIS A 8 0.342 -19.887 9.860 1.00 52.34 N ATOM 119 CD2 HIS A 8 -1.403 -19.123 11.008 1.00 1.42 C ATOM 120 CE1 HIS A 8 0.167 -20.634 10.935 1.00 64.02 C ATOM 121 NE2 HIS A 8 -0.877 -20.210 11.656 1.00 22.31 N ATOM 0 H HIS A 8 1.320 -16.825 10.575 1.00 5.11 H new ATOM 0 HA HIS A 8 -0.067 -15.982 8.110 1.00 33.33 H new ATOM 0 HB2 HIS A 8 -1.844 -17.727 8.600 1.00 33.11 H new ATOM 0 HB3 HIS A 8 -0.359 -18.311 7.874 1.00 33.11 H new ATOM 0 HD2 HIS A 8 -2.254 -18.536 11.321 1.00 1.42 H new ATOM 0 HE1 HIS A 8 0.787 -21.478 11.198 1.00 64.02 H new ATOM 0 HE2 HIS A 8 -1.218 -20.619 12.526 1.00 22.31 H new ATOM 129 N SER A 9 -1.503 -14.546 9.544 1.00 63.00 N ATOM 130 CA SER A 9 -2.369 -13.635 10.320 1.00 43.34 C ATOM 131 C SER A 9 -3.528 -13.137 9.437 1.00 24.23 C ATOM 132 O SER A 9 -3.302 -12.451 8.431 1.00 74.20 O ATOM 133 CB SER A 9 -1.564 -12.429 10.871 1.00 10.10 C ATOM 134 OG SER A 9 -2.401 -11.550 11.617 1.00 31.34 O ATOM 0 H SER A 9 -1.379 -14.257 8.574 1.00 63.00 H new ATOM 0 HA SER A 9 -2.771 -14.188 11.169 1.00 43.34 H new ATOM 0 HB2 SER A 9 -0.753 -12.788 11.504 1.00 10.10 H new ATOM 0 HB3 SER A 9 -1.106 -11.886 10.044 1.00 10.10 H new ATOM 0 HG SER A 9 -1.869 -10.799 11.954 1.00 31.34 H new ATOM 140 N HIS A 10 -4.762 -13.507 9.813 1.00 71.30 N ATOM 141 CA HIS A 10 -5.995 -13.119 9.088 1.00 53.25 C ATOM 142 C HIS A 10 -6.910 -12.239 9.988 1.00 55.11 C ATOM 143 O HIS A 10 -8.014 -11.852 9.588 1.00 40.34 O ATOM 144 CB HIS A 10 -6.712 -14.415 8.619 1.00 51.13 C ATOM 145 CG HIS A 10 -7.854 -14.188 7.665 1.00 43.02 C ATOM 146 ND1 HIS A 10 -9.172 -14.196 8.060 1.00 13.15 N ATOM 147 CD2 HIS A 10 -7.870 -13.950 6.329 1.00 2.34 C ATOM 148 CE1 HIS A 10 -9.943 -13.966 7.025 1.00 13.43 C ATOM 149 NE2 HIS A 10 -9.183 -13.820 5.959 1.00 0.33 N ATOM 0 H HIS A 10 -4.940 -14.087 10.633 1.00 71.30 H new ATOM 0 HA HIS A 10 -5.747 -12.514 8.216 1.00 53.25 H new ATOM 0 HB2 HIS A 10 -5.981 -15.067 8.141 1.00 51.13 H new ATOM 0 HB3 HIS A 10 -7.087 -14.945 9.495 1.00 51.13 H new ATOM 0 HD2 HIS A 10 -7.010 -13.877 5.680 1.00 2.34 H new ATOM 0 HE1 HIS A 10 -11.021 -13.906 7.043 1.00 13.43 H new ATOM 0 HE2 HIS A 10 -9.517 -13.640 5.012 1.00 0.33 H new ATOM 158 N MET A 11 -6.407 -11.897 11.190 1.00 34.21 N ATOM 159 CA MET A 11 -7.155 -11.119 12.210 1.00 55.42 C ATOM 160 C MET A 11 -7.123 -9.591 11.930 1.00 0.32 C ATOM 161 O MET A 11 -6.408 -9.120 11.043 1.00 42.22 O ATOM 162 CB MET A 11 -6.586 -11.426 13.624 1.00 44.40 C ATOM 163 CG MET A 11 -6.711 -12.897 14.054 1.00 10.24 C ATOM 164 SD MET A 11 -6.076 -13.197 15.719 1.00 62.11 S ATOM 165 CE MET A 11 -6.460 -14.937 15.942 1.00 72.34 C ATOM 0 H MET A 11 -5.465 -12.152 11.487 1.00 34.21 H new ATOM 0 HA MET A 11 -8.200 -11.426 12.160 1.00 55.42 H new ATOM 0 HB2 MET A 11 -5.534 -11.141 13.649 1.00 44.40 H new ATOM 0 HB3 MET A 11 -7.102 -10.802 14.353 1.00 44.40 H new ATOM 0 HG2 MET A 11 -7.758 -13.196 14.010 1.00 10.24 H new ATOM 0 HG3 MET A 11 -6.171 -13.525 13.346 1.00 10.24 H new ATOM 0 HE1 MET A 11 -6.124 -15.260 16.927 1.00 72.34 H new ATOM 0 HE2 MET A 11 -7.537 -15.086 15.858 1.00 72.34 H new ATOM 0 HE3 MET A 11 -5.952 -15.523 15.176 1.00 72.34 H new ATOM 175 N GLY A 12 -7.932 -8.841 12.687 1.00 14.10 N ATOM 176 CA GLY A 12 -8.019 -7.381 12.564 1.00 60.21 C ATOM 177 C GLY A 12 -8.997 -6.802 13.586 1.00 53.21 C ATOM 178 O GLY A 12 -8.577 -6.396 14.674 1.00 3.05 O ATOM 0 H GLY A 12 -8.546 -9.230 13.403 1.00 14.10 H new ATOM 0 HA2 GLY A 12 -7.032 -6.941 12.710 1.00 60.21 H new ATOM 0 HA3 GLY A 12 -8.341 -7.116 11.557 1.00 60.21 H new ATOM 182 N GLY A 13 -10.306 -6.785 13.236 1.00 12.22 N ATOM 183 CA GLY A 13 -11.382 -6.356 14.159 1.00 41.24 C ATOM 184 C GLY A 13 -11.355 -4.871 14.557 1.00 62.42 C ATOM 185 O GLY A 13 -12.041 -4.472 15.508 1.00 43.21 O ATOM 0 H GLY A 13 -10.642 -7.066 12.315 1.00 12.22 H new ATOM 0 HA2 GLY A 13 -12.344 -6.573 13.695 1.00 41.24 H new ATOM 0 HA3 GLY A 13 -11.322 -6.959 15.065 1.00 41.24 H new ATOM 189 N GLY A 14 -10.572 -4.056 13.816 1.00 51.11 N ATOM 190 CA GLY A 14 -10.386 -2.628 14.122 1.00 41.12 C ATOM 191 C GLY A 14 -11.262 -1.695 13.294 1.00 73.34 C ATOM 192 O GLY A 14 -12.410 -2.021 12.965 1.00 34.24 O ATOM 0 H GLY A 14 -10.056 -4.371 12.995 1.00 51.11 H new ATOM 0 HA2 GLY A 14 -10.596 -2.464 15.179 1.00 41.12 H new ATOM 0 HA3 GLY A 14 -9.340 -2.366 13.960 1.00 41.12 H new ATOM 196 N LYS A 15 -10.723 -0.500 12.972 1.00 10.41 N ATOM 197 CA LYS A 15 -11.461 0.567 12.253 1.00 12.13 C ATOM 198 C LYS A 15 -10.699 1.014 10.986 1.00 44.10 C ATOM 199 O LYS A 15 -9.493 0.753 10.840 1.00 14.14 O ATOM 200 CB LYS A 15 -11.674 1.788 13.195 1.00 14.41 C ATOM 201 CG LYS A 15 -12.303 1.433 14.558 1.00 34.10 C ATOM 202 CD LYS A 15 -12.529 2.662 15.468 1.00 43.43 C ATOM 203 CE LYS A 15 -13.024 2.272 16.869 1.00 22.13 C ATOM 204 NZ LYS A 15 -14.239 1.420 16.821 1.00 0.41 N ATOM 0 H LYS A 15 -9.763 -0.245 13.202 1.00 10.41 H new ATOM 0 HA LYS A 15 -12.428 0.166 11.948 1.00 12.13 H new ATOM 0 HB2 LYS A 15 -10.713 2.273 13.366 1.00 14.41 H new ATOM 0 HB3 LYS A 15 -12.312 2.514 12.691 1.00 14.41 H new ATOM 0 HG2 LYS A 15 -13.257 0.934 14.390 1.00 34.10 H new ATOM 0 HG3 LYS A 15 -11.657 0.722 15.074 1.00 34.10 H new ATOM 0 HD2 LYS A 15 -11.597 3.220 15.558 1.00 43.43 H new ATOM 0 HD3 LYS A 15 -13.256 3.327 15.001 1.00 43.43 H new ATOM 0 HE2 LYS A 15 -12.232 1.741 17.397 1.00 22.13 H new ATOM 0 HE3 LYS A 15 -13.239 3.175 17.440 1.00 22.13 H new ATOM 0 HZ1 LYS A 15 -14.623 1.309 17.781 1.00 0.41 H new ATOM 0 HZ2 LYS A 15 -14.953 1.868 16.212 1.00 0.41 H new ATOM 0 HZ3 LYS A 15 -13.993 0.486 16.436 1.00 0.41 H new ATOM 218 N GLY A 16 -11.412 1.721 10.085 1.00 3.34 N ATOM 219 CA GLY A 16 -10.805 2.306 8.877 1.00 22.43 C ATOM 220 C GLY A 16 -11.075 3.819 8.735 1.00 15.41 C ATOM 221 O GLY A 16 -11.735 4.226 7.775 1.00 61.04 O ATOM 0 H GLY A 16 -12.412 1.900 10.174 1.00 3.34 H new ATOM 0 HA2 GLY A 16 -9.729 2.136 8.900 1.00 22.43 H new ATOM 0 HA3 GLY A 16 -11.191 1.790 7.998 1.00 22.43 H new ATOM 225 N PRO A 17 -10.565 4.697 9.667 1.00 73.54 N ATOM 226 CA PRO A 17 -10.820 6.155 9.622 1.00 22.41 C ATOM 227 C PRO A 17 -9.735 6.953 8.848 1.00 71.12 C ATOM 228 O PRO A 17 -8.875 6.376 8.164 1.00 62.43 O ATOM 229 CB PRO A 17 -10.808 6.498 11.127 1.00 2.23 C ATOM 230 CG PRO A 17 -9.709 5.638 11.687 1.00 71.41 C ATOM 231 CD PRO A 17 -9.699 4.364 10.842 1.00 62.14 C ATOM 0 HA PRO A 17 -11.737 6.415 9.093 1.00 22.41 H new ATOM 0 HB2 PRO A 17 -10.610 7.557 11.294 1.00 2.23 H new ATOM 0 HB3 PRO A 17 -11.767 6.275 11.595 1.00 2.23 H new ATOM 0 HG2 PRO A 17 -8.748 6.149 11.633 1.00 71.41 H new ATOM 0 HG3 PRO A 17 -9.890 5.408 12.737 1.00 71.41 H new ATOM 0 HD2 PRO A 17 -8.688 4.101 10.530 1.00 62.14 H new ATOM 0 HD3 PRO A 17 -10.093 3.514 11.399 1.00 62.14 H new ATOM 239 N ALA A 18 -9.807 8.291 8.964 1.00 44.32 N ATOM 240 CA ALA A 18 -8.791 9.208 8.410 1.00 32.04 C ATOM 241 C ALA A 18 -7.568 9.310 9.348 1.00 3.12 C ATOM 242 O ALA A 18 -6.426 9.098 8.920 1.00 14.12 O ATOM 243 CB ALA A 18 -9.406 10.596 8.156 1.00 50.11 C ATOM 0 H ALA A 18 -10.570 8.768 9.444 1.00 44.32 H new ATOM 0 HA ALA A 18 -8.446 8.804 7.458 1.00 32.04 H new ATOM 0 HB1 ALA A 18 -8.646 11.262 7.748 1.00 50.11 H new ATOM 0 HB2 ALA A 18 -10.228 10.505 7.446 1.00 50.11 H new ATOM 0 HB3 ALA A 18 -9.780 11.005 9.094 1.00 50.11 H new ATOM 249 N ALA A 19 -7.857 9.627 10.638 1.00 51.12 N ATOM 250 CA ALA A 19 -6.849 9.876 11.702 1.00 22.44 C ATOM 251 C ALA A 19 -5.977 11.130 11.417 1.00 63.02 C ATOM 252 O ALA A 19 -6.110 11.786 10.373 1.00 51.02 O ATOM 253 CB ALA A 19 -5.983 8.618 11.966 1.00 63.35 C ATOM 0 H ALA A 19 -8.816 9.718 10.973 1.00 51.12 H new ATOM 0 HA ALA A 19 -7.403 10.092 12.616 1.00 22.44 H new ATOM 0 HB1 ALA A 19 -5.256 8.834 12.749 1.00 63.35 H new ATOM 0 HB2 ALA A 19 -6.624 7.795 12.283 1.00 63.35 H new ATOM 0 HB3 ALA A 19 -5.459 8.339 11.052 1.00 63.35 H new ATOM 259 N GLU A 20 -5.096 11.472 12.373 1.00 2.11 N ATOM 260 CA GLU A 20 -4.156 12.613 12.245 1.00 14.44 C ATOM 261 C GLU A 20 -2.728 12.185 12.647 1.00 23.13 C ATOM 262 O GLU A 20 -2.513 11.078 13.160 1.00 1.34 O ATOM 263 CB GLU A 20 -4.628 13.822 13.102 1.00 21.02 C ATOM 264 CG GLU A 20 -4.561 13.603 14.631 1.00 1.45 C ATOM 265 CD GLU A 20 -5.118 14.791 15.427 1.00 43.05 C ATOM 266 OE1 GLU A 20 -4.410 15.812 15.567 1.00 53.31 O ATOM 267 OE2 GLU A 20 -6.279 14.723 15.891 1.00 11.54 O ATOM 0 H GLU A 20 -5.011 10.970 13.257 1.00 2.11 H new ATOM 0 HA GLU A 20 -4.142 12.926 11.201 1.00 14.44 H new ATOM 0 HB2 GLU A 20 -4.019 14.689 12.847 1.00 21.02 H new ATOM 0 HB3 GLU A 20 -5.655 14.063 12.829 1.00 21.02 H new ATOM 0 HG2 GLU A 20 -5.121 12.704 14.890 1.00 1.45 H new ATOM 0 HG3 GLU A 20 -3.525 13.429 14.923 1.00 1.45 H new ATOM 274 N GLU A 21 -1.768 13.098 12.433 1.00 62.42 N ATOM 275 CA GLU A 21 -0.321 12.832 12.605 1.00 24.41 C ATOM 276 C GLU A 21 0.480 14.163 12.643 1.00 74.13 C ATOM 277 O GLU A 21 -0.050 15.211 12.250 1.00 75.24 O ATOM 278 CB GLU A 21 0.179 11.925 11.439 1.00 61.33 C ATOM 279 CG GLU A 21 -0.125 12.474 10.023 1.00 50.41 C ATOM 280 CD GLU A 21 0.315 11.539 8.887 1.00 53.40 C ATOM 281 OE1 GLU A 21 0.166 10.302 9.033 1.00 64.23 O ATOM 282 OE2 GLU A 21 0.807 12.032 7.853 1.00 65.35 O ATOM 0 H GLU A 21 -1.970 14.052 12.133 1.00 62.42 H new ATOM 0 HA GLU A 21 -0.162 12.318 13.553 1.00 24.41 H new ATOM 0 HB2 GLU A 21 1.256 11.788 11.538 1.00 61.33 H new ATOM 0 HB3 GLU A 21 -0.278 10.941 11.539 1.00 61.33 H new ATOM 0 HG2 GLU A 21 -1.196 12.656 9.937 1.00 50.41 H new ATOM 0 HG3 GLU A 21 0.373 13.436 9.902 1.00 50.41 H new ATOM 289 N PRO A 22 1.776 14.155 13.109 1.00 23.43 N ATOM 290 CA PRO A 22 2.689 15.342 12.993 1.00 13.13 C ATOM 291 C PRO A 22 3.175 15.646 11.534 1.00 34.11 C ATOM 292 O PRO A 22 4.159 16.378 11.353 1.00 1.01 O ATOM 293 CB PRO A 22 3.887 14.971 13.926 1.00 2.43 C ATOM 294 CG PRO A 22 3.404 13.803 14.746 1.00 11.32 C ATOM 295 CD PRO A 22 2.446 13.053 13.854 1.00 12.04 C ATOM 0 HA PRO A 22 2.173 16.260 13.275 1.00 13.13 H new ATOM 0 HB2 PRO A 22 4.770 14.706 13.345 1.00 2.43 H new ATOM 0 HB3 PRO A 22 4.165 15.811 14.563 1.00 2.43 H new ATOM 0 HG2 PRO A 22 4.235 13.167 15.051 1.00 11.32 H new ATOM 0 HG3 PRO A 22 2.910 14.141 15.657 1.00 11.32 H new ATOM 0 HD2 PRO A 22 2.966 12.367 13.185 1.00 12.04 H new ATOM 0 HD3 PRO A 22 1.735 12.460 14.429 1.00 12.04 H new ATOM 303 N LEU A 23 2.464 15.083 10.525 1.00 43.45 N ATOM 304 CA LEU A 23 2.706 15.287 9.075 1.00 21.43 C ATOM 305 C LEU A 23 4.053 14.680 8.604 1.00 11.44 C ATOM 306 O LEU A 23 4.703 13.920 9.330 1.00 23.34 O ATOM 307 CB LEU A 23 2.593 16.801 8.681 1.00 13.21 C ATOM 308 CG LEU A 23 1.207 17.482 8.932 1.00 51.20 C ATOM 309 CD1 LEU A 23 1.242 18.973 8.522 1.00 30.15 C ATOM 310 CD2 LEU A 23 0.063 16.722 8.205 1.00 41.32 C ATOM 0 H LEU A 23 1.681 14.454 10.704 1.00 43.45 H new ATOM 0 HA LEU A 23 1.919 14.745 8.551 1.00 21.43 H new ATOM 0 HB2 LEU A 23 3.352 17.356 9.233 1.00 13.21 H new ATOM 0 HB3 LEU A 23 2.835 16.898 7.623 1.00 13.21 H new ATOM 0 HG LEU A 23 1.001 17.435 10.001 1.00 51.20 H new ATOM 0 HD11 LEU A 23 0.267 19.424 8.706 1.00 30.15 H new ATOM 0 HD12 LEU A 23 1.999 19.494 9.108 1.00 30.15 H new ATOM 0 HD13 LEU A 23 1.485 19.053 7.462 1.00 30.15 H new ATOM 0 HD21 LEU A 23 -0.886 17.221 8.400 1.00 41.32 H new ATOM 0 HD22 LEU A 23 0.256 16.714 7.132 1.00 41.32 H new ATOM 0 HD23 LEU A 23 0.016 15.697 8.572 1.00 41.32 H new ATOM 322 N SER A 24 4.422 14.985 7.354 1.00 32.02 N ATOM 323 CA SER A 24 5.725 14.610 6.770 1.00 13.23 C ATOM 324 C SER A 24 6.845 15.571 7.249 1.00 54.52 C ATOM 325 O SER A 24 6.824 16.767 6.932 1.00 2.14 O ATOM 326 CB SER A 24 5.615 14.633 5.232 1.00 70.54 C ATOM 327 OG SER A 24 4.665 13.686 4.766 1.00 33.34 O ATOM 0 H SER A 24 3.823 15.503 6.711 1.00 32.02 H new ATOM 0 HA SER A 24 5.987 13.605 7.101 1.00 13.23 H new ATOM 0 HB2 SER A 24 5.328 15.631 4.901 1.00 70.54 H new ATOM 0 HB3 SER A 24 6.589 14.419 4.793 1.00 70.54 H new ATOM 0 HG SER A 24 4.498 13.832 3.811 1.00 33.34 H new ATOM 333 N LEU A 25 7.804 15.038 8.027 1.00 22.34 N ATOM 334 CA LEU A 25 8.972 15.803 8.534 1.00 62.52 C ATOM 335 C LEU A 25 10.013 16.005 7.403 1.00 15.35 C ATOM 336 O LEU A 25 10.423 17.131 7.101 1.00 63.00 O ATOM 337 CB LEU A 25 9.639 15.080 9.755 1.00 31.13 C ATOM 338 CG LEU A 25 8.794 14.953 11.080 1.00 12.10 C ATOM 339 CD1 LEU A 25 7.601 13.973 10.939 1.00 53.21 C ATOM 340 CD2 LEU A 25 9.698 14.546 12.277 1.00 32.24 C ATOM 0 H LEU A 25 7.797 14.063 8.326 1.00 22.34 H new ATOM 0 HA LEU A 25 8.615 16.776 8.870 1.00 62.52 H new ATOM 0 HB2 LEU A 25 9.920 14.076 9.438 1.00 31.13 H new ATOM 0 HB3 LEU A 25 10.562 15.608 9.995 1.00 31.13 H new ATOM 0 HG LEU A 25 8.372 15.939 11.275 1.00 12.10 H new ATOM 0 HD11 LEU A 25 7.056 13.926 11.882 1.00 53.21 H new ATOM 0 HD12 LEU A 25 6.934 14.323 10.151 1.00 53.21 H new ATOM 0 HD13 LEU A 25 7.973 12.981 10.685 1.00 53.21 H new ATOM 0 HD21 LEU A 25 9.092 14.465 13.179 1.00 32.24 H new ATOM 0 HD22 LEU A 25 10.168 13.585 12.068 1.00 32.24 H new ATOM 0 HD23 LEU A 25 10.469 15.302 12.424 1.00 32.24 H new ATOM 352 N LEU A 26 10.423 14.889 6.790 1.00 30.14 N ATOM 353 CA LEU A 26 11.375 14.872 5.648 1.00 33.22 C ATOM 354 C LEU A 26 10.698 14.136 4.451 1.00 73.03 C ATOM 355 O LEU A 26 11.357 13.414 3.692 1.00 35.40 O ATOM 356 CB LEU A 26 12.714 14.171 6.102 1.00 4.32 C ATOM 357 CG LEU A 26 14.066 14.755 5.543 1.00 51.20 C ATOM 358 CD1 LEU A 26 15.283 14.025 6.165 1.00 31.42 C ATOM 359 CD2 LEU A 26 14.139 14.720 3.994 1.00 32.34 C ATOM 0 H LEU A 26 10.107 13.959 7.066 1.00 30.14 H new ATOM 0 HA LEU A 26 11.627 15.882 5.326 1.00 33.22 H new ATOM 0 HB2 LEU A 26 12.758 14.203 7.191 1.00 4.32 H new ATOM 0 HB3 LEU A 26 12.658 13.121 5.816 1.00 4.32 H new ATOM 0 HG LEU A 26 14.097 15.804 5.837 1.00 51.20 H new ATOM 0 HD11 LEU A 26 16.204 14.446 5.763 1.00 31.42 H new ATOM 0 HD12 LEU A 26 15.268 14.151 7.248 1.00 31.42 H new ATOM 0 HD13 LEU A 26 15.233 12.963 5.922 1.00 31.42 H new ATOM 0 HD21 LEU A 26 15.092 15.135 3.665 1.00 32.34 H new ATOM 0 HD22 LEU A 26 14.053 13.690 3.649 1.00 32.34 H new ATOM 0 HD23 LEU A 26 13.323 15.311 3.578 1.00 32.34 H new ATOM 371 N ASP A 27 9.375 14.370 4.287 1.00 65.35 N ATOM 372 CA ASP A 27 8.517 13.646 3.317 1.00 64.31 C ATOM 373 C ASP A 27 8.623 12.109 3.503 1.00 41.54 C ATOM 374 O ASP A 27 8.821 11.357 2.549 1.00 32.10 O ATOM 375 CB ASP A 27 8.812 14.104 1.859 1.00 65.32 C ATOM 376 CG ASP A 27 8.521 15.599 1.631 1.00 1.31 C ATOM 377 OD1 ASP A 27 7.441 16.068 2.052 1.00 11.12 O ATOM 378 OD2 ASP A 27 9.354 16.293 1.010 1.00 2.50 O ATOM 0 H ASP A 27 8.868 15.071 4.827 1.00 65.35 H new ATOM 0 HA ASP A 27 7.478 13.905 3.520 1.00 64.31 H new ATOM 0 HB2 ASP A 27 9.857 13.902 1.624 1.00 65.32 H new ATOM 0 HB3 ASP A 27 8.211 13.512 1.169 1.00 65.32 H new ATOM 383 N ASP A 28 8.465 11.679 4.764 1.00 31.22 N ATOM 384 CA ASP A 28 8.655 10.272 5.206 1.00 30.03 C ATOM 385 C ASP A 28 7.761 9.269 4.430 1.00 55.55 C ATOM 386 O ASP A 28 8.204 8.170 4.070 1.00 43.03 O ATOM 387 CB ASP A 28 8.380 10.183 6.724 1.00 43.31 C ATOM 388 CG ASP A 28 9.268 11.146 7.532 1.00 21.13 C ATOM 389 OD1 ASP A 28 8.905 12.334 7.655 1.00 42.13 O ATOM 390 OD2 ASP A 28 10.346 10.730 8.010 1.00 23.33 O ATOM 0 H ASP A 28 8.197 12.303 5.525 1.00 31.22 H new ATOM 0 HA ASP A 28 9.685 9.989 4.990 1.00 30.03 H new ATOM 0 HB2 ASP A 28 7.331 10.411 6.916 1.00 43.31 H new ATOM 0 HB3 ASP A 28 8.552 9.162 7.064 1.00 43.31 H new ATOM 395 N MET A 29 6.505 9.680 4.171 1.00 54.55 N ATOM 396 CA MET A 29 5.556 8.891 3.359 1.00 32.45 C ATOM 397 C MET A 29 6.003 8.773 1.881 1.00 44.00 C ATOM 398 O MET A 29 5.767 7.753 1.256 1.00 13.02 O ATOM 399 CB MET A 29 4.131 9.478 3.427 1.00 42.45 C ATOM 400 CG MET A 29 3.984 10.957 3.019 1.00 42.03 C ATOM 401 SD MET A 29 2.271 11.426 2.670 1.00 55.33 S ATOM 402 CE MET A 29 1.360 10.357 3.787 1.00 44.55 C ATOM 0 H MET A 29 6.121 10.560 4.515 1.00 54.55 H new ATOM 0 HA MET A 29 5.547 7.890 3.790 1.00 32.45 H new ATOM 0 HB2 MET A 29 3.483 8.880 2.786 1.00 42.45 H new ATOM 0 HB3 MET A 29 3.762 9.366 4.447 1.00 42.45 H new ATOM 0 HG2 MET A 29 4.373 11.589 3.817 1.00 42.03 H new ATOM 0 HG3 MET A 29 4.594 11.147 2.136 1.00 42.03 H new ATOM 0 HE1 MET A 29 0.410 10.825 4.045 1.00 44.55 H new ATOM 0 HE2 MET A 29 1.173 9.399 3.302 1.00 44.55 H new ATOM 0 HE3 MET A 29 1.943 10.197 4.694 1.00 44.55 H new ATOM 412 N ASN A 30 6.648 9.830 1.343 1.00 12.31 N ATOM 413 CA ASN A 30 7.199 9.836 -0.041 1.00 32.02 C ATOM 414 C ASN A 30 8.349 8.805 -0.188 1.00 32.23 C ATOM 415 O ASN A 30 8.488 8.164 -1.234 1.00 14.25 O ATOM 416 CB ASN A 30 7.659 11.274 -0.429 1.00 44.10 C ATOM 417 CG ASN A 30 8.448 11.356 -1.743 1.00 25.51 C ATOM 418 OD1 ASN A 30 7.876 11.468 -2.824 1.00 25.20 O ATOM 419 ND2 ASN A 30 9.767 11.307 -1.659 1.00 73.34 N ATOM 0 H ASN A 30 6.804 10.702 1.848 1.00 12.31 H new ATOM 0 HA ASN A 30 6.412 9.536 -0.733 1.00 32.02 H new ATOM 0 HB2 ASN A 30 6.780 11.914 -0.507 1.00 44.10 H new ATOM 0 HB3 ASN A 30 8.275 11.674 0.376 1.00 44.10 H new ATOM 0 HD21 ASN A 30 10.334 11.363 -2.505 1.00 73.34 H new ATOM 0 HD22 ASN A 30 10.217 11.214 -0.748 1.00 73.34 H new ATOM 426 N HIS A 31 9.159 8.645 0.879 1.00 63.21 N ATOM 427 CA HIS A 31 10.202 7.592 0.941 1.00 72.41 C ATOM 428 C HIS A 31 9.555 6.176 0.978 1.00 12.21 C ATOM 429 O HIS A 31 10.058 5.232 0.353 1.00 12.30 O ATOM 430 CB HIS A 31 11.125 7.814 2.167 1.00 11.24 C ATOM 431 CG HIS A 31 11.882 9.121 2.129 1.00 34.13 C ATOM 432 ND1 HIS A 31 12.953 9.308 1.289 1.00 22.13 N ATOM 433 CD2 HIS A 31 11.677 10.264 2.818 1.00 14.50 C ATOM 434 CE1 HIS A 31 13.361 10.546 1.485 1.00 62.41 C ATOM 435 NE2 HIS A 31 12.616 11.162 2.401 1.00 3.22 N ATOM 0 H HIS A 31 9.113 9.231 1.712 1.00 63.21 H new ATOM 0 HA HIS A 31 10.812 7.658 0.040 1.00 72.41 H new ATOM 0 HB2 HIS A 31 10.523 7.779 3.075 1.00 11.24 H new ATOM 0 HB3 HIS A 31 11.839 6.992 2.227 1.00 11.24 H new ATOM 0 HD2 HIS A 31 10.912 10.436 3.561 1.00 14.50 H new ATOM 0 HE1 HIS A 31 14.193 11.002 0.969 1.00 62.41 H new ATOM 0 HE2 HIS A 31 12.726 12.122 2.728 1.00 3.22 H new ATOM 443 N CYS A 32 8.428 6.059 1.713 1.00 12.41 N ATOM 444 CA CYS A 32 7.603 4.822 1.762 1.00 2.34 C ATOM 445 C CYS A 32 6.900 4.536 0.409 1.00 72.04 C ATOM 446 O CYS A 32 6.684 3.378 0.061 1.00 60.11 O ATOM 447 CB CYS A 32 6.555 4.922 2.895 1.00 32.22 C ATOM 448 SG CYS A 32 7.269 5.212 4.528 1.00 3.33 S ATOM 0 H CYS A 32 8.061 6.816 2.290 1.00 12.41 H new ATOM 0 HA CYS A 32 8.277 3.989 1.964 1.00 2.34 H new ATOM 0 HB2 CYS A 32 5.861 5.730 2.664 1.00 32.22 H new ATOM 0 HB3 CYS A 32 5.974 4.000 2.922 1.00 32.22 H new ATOM 0 HG CYS A 32 7.744 6.421 4.585 1.00 3.33 H new ATOM 454 N TYR A 33 6.553 5.607 -0.339 1.00 14.14 N ATOM 455 CA TYR A 33 5.907 5.514 -1.679 1.00 32.12 C ATOM 456 C TYR A 33 6.857 4.895 -2.727 1.00 51.11 C ATOM 457 O TYR A 33 6.423 4.117 -3.583 1.00 4.14 O ATOM 458 CB TYR A 33 5.398 6.915 -2.158 1.00 23.32 C ATOM 459 CG TYR A 33 3.922 7.199 -1.826 1.00 63.44 C ATOM 460 CD1 TYR A 33 2.917 6.481 -2.478 1.00 31.31 C ATOM 461 CD2 TYR A 33 3.524 8.173 -0.898 1.00 41.01 C ATOM 462 CE1 TYR A 33 1.588 6.715 -2.218 1.00 62.24 C ATOM 463 CE2 TYR A 33 2.190 8.403 -0.637 1.00 21.00 C ATOM 464 CZ TYR A 33 1.231 7.676 -1.301 1.00 61.02 C ATOM 465 OH TYR A 33 -0.087 7.904 -1.035 1.00 61.44 O ATOM 0 H TYR A 33 6.712 6.567 -0.034 1.00 14.14 H new ATOM 0 HA TYR A 33 5.047 4.853 -1.577 1.00 32.12 H new ATOM 0 HB2 TYR A 33 6.016 7.689 -1.703 1.00 23.32 H new ATOM 0 HB3 TYR A 33 5.537 6.990 -3.237 1.00 23.32 H new ATOM 0 HD1 TYR A 33 3.190 5.727 -3.201 1.00 31.31 H new ATOM 0 HD2 TYR A 33 4.274 8.752 -0.380 1.00 41.01 H new ATOM 0 HE1 TYR A 33 0.827 6.147 -2.732 1.00 62.24 H new ATOM 0 HE2 TYR A 33 1.900 9.151 0.086 1.00 21.00 H new ATOM 0 HH TYR A 33 -0.226 7.925 -0.065 1.00 61.44 H new ATOM 475 N SER A 34 8.146 5.270 -2.655 1.00 73.50 N ATOM 476 CA SER A 34 9.214 4.642 -3.467 1.00 51.43 C ATOM 477 C SER A 34 9.309 3.128 -3.160 1.00 5.12 C ATOM 478 O SER A 34 9.369 2.299 -4.069 1.00 34.45 O ATOM 479 CB SER A 34 10.578 5.320 -3.185 1.00 14.34 C ATOM 480 OG SER A 34 11.634 4.722 -3.933 1.00 52.12 O ATOM 0 H SER A 34 8.480 6.011 -2.039 1.00 73.50 H new ATOM 0 HA SER A 34 8.964 4.774 -4.520 1.00 51.43 H new ATOM 0 HB2 SER A 34 10.514 6.380 -3.431 1.00 14.34 H new ATOM 0 HB3 SER A 34 10.804 5.253 -2.121 1.00 14.34 H new ATOM 0 HG SER A 34 11.850 3.846 -3.551 1.00 52.12 H new ATOM 486 N ARG A 35 9.285 2.810 -1.848 1.00 12.31 N ATOM 487 CA ARG A 35 9.373 1.435 -1.324 1.00 11.41 C ATOM 488 C ARG A 35 8.155 0.558 -1.749 1.00 3.41 C ATOM 489 O ARG A 35 8.301 -0.654 -1.956 1.00 61.22 O ATOM 490 CB ARG A 35 9.510 1.504 0.209 1.00 64.20 C ATOM 491 CG ARG A 35 10.222 0.290 0.831 1.00 41.34 C ATOM 492 CD ARG A 35 10.562 0.540 2.292 1.00 54.33 C ATOM 493 NE ARG A 35 11.357 -0.546 2.892 1.00 1.44 N ATOM 494 CZ ARG A 35 12.402 -0.375 3.675 1.00 61.42 C ATOM 495 NH1 ARG A 35 12.893 0.805 3.890 1.00 20.24 N ATOM 496 NH2 ARG A 35 12.983 -1.387 4.217 1.00 74.24 N ATOM 0 H ARG A 35 9.203 3.514 -1.114 1.00 12.31 H new ATOM 0 HA ARG A 35 10.250 0.950 -1.752 1.00 11.41 H new ATOM 0 HB2 ARG A 35 10.058 2.408 0.474 1.00 64.20 H new ATOM 0 HB3 ARG A 35 8.516 1.593 0.648 1.00 64.20 H new ATOM 0 HG2 ARG A 35 9.584 -0.590 0.749 1.00 41.34 H new ATOM 0 HG3 ARG A 35 11.134 0.076 0.274 1.00 41.34 H new ATOM 0 HD2 ARG A 35 11.114 1.476 2.376 1.00 54.33 H new ATOM 0 HD3 ARG A 35 9.639 0.663 2.858 1.00 54.33 H new ATOM 0 HE ARG A 35 11.076 -1.504 2.685 1.00 1.44 H new ATOM 0 HH11 ARG A 35 12.469 1.622 3.449 1.00 20.24 H new ATOM 0 HH12 ARG A 35 13.703 0.917 4.500 1.00 20.24 H new ATOM 0 HH21 ARG A 35 12.635 -2.329 4.041 1.00 74.24 H new ATOM 0 HH22 ARG A 35 13.792 -1.247 4.822 1.00 74.24 H new ATOM 510 N LEU A 36 6.960 1.191 -1.865 1.00 31.14 N ATOM 511 CA LEU A 36 5.753 0.540 -2.431 1.00 63.20 C ATOM 512 C LEU A 36 6.020 0.094 -3.882 1.00 42.11 C ATOM 513 O LEU A 36 5.940 -1.082 -4.187 1.00 4.14 O ATOM 514 CB LEU A 36 4.523 1.498 -2.417 1.00 55.11 C ATOM 515 CG LEU A 36 3.986 1.950 -1.025 1.00 63.35 C ATOM 516 CD1 LEU A 36 2.774 2.894 -1.191 1.00 20.14 C ATOM 517 CD2 LEU A 36 3.636 0.739 -0.123 1.00 24.32 C ATOM 0 H LEU A 36 6.808 2.156 -1.572 1.00 31.14 H new ATOM 0 HA LEU A 36 5.529 -0.325 -1.807 1.00 63.20 H new ATOM 0 HB2 LEU A 36 4.784 2.391 -2.984 1.00 55.11 H new ATOM 0 HB3 LEU A 36 3.708 1.009 -2.951 1.00 55.11 H new ATOM 0 HG LEU A 36 4.782 2.501 -0.524 1.00 63.35 H new ATOM 0 HD11 LEU A 36 2.413 3.199 -0.209 1.00 20.14 H new ATOM 0 HD12 LEU A 36 3.074 3.776 -1.757 1.00 20.14 H new ATOM 0 HD13 LEU A 36 1.978 2.374 -1.725 1.00 20.14 H new ATOM 0 HD21 LEU A 36 3.265 1.096 0.838 1.00 24.32 H new ATOM 0 HD22 LEU A 36 2.868 0.135 -0.606 1.00 24.32 H new ATOM 0 HD23 LEU A 36 4.528 0.133 0.035 1.00 24.32 H new ATOM 529 N ARG A 37 6.413 1.061 -4.734 1.00 32.03 N ATOM 530 CA ARG A 37 6.660 0.848 -6.188 1.00 23.14 C ATOM 531 C ARG A 37 7.735 -0.239 -6.478 1.00 64.02 C ATOM 532 O ARG A 37 7.774 -0.819 -7.570 1.00 51.11 O ATOM 533 CB ARG A 37 7.066 2.184 -6.827 1.00 62.12 C ATOM 534 CG ARG A 37 5.937 3.233 -6.749 1.00 13.41 C ATOM 535 CD ARG A 37 6.334 4.595 -7.302 1.00 10.51 C ATOM 536 NE ARG A 37 6.502 4.595 -8.768 1.00 65.13 N ATOM 537 CZ ARG A 37 6.306 5.633 -9.556 1.00 33.25 C ATOM 538 NH1 ARG A 37 5.991 6.788 -9.070 1.00 62.42 N ATOM 539 NH2 ARG A 37 6.449 5.505 -10.837 1.00 41.14 N ATOM 0 H ARG A 37 6.572 2.024 -4.437 1.00 32.03 H new ATOM 0 HA ARG A 37 5.733 0.479 -6.626 1.00 23.14 H new ATOM 0 HB2 ARG A 37 7.954 2.570 -6.326 1.00 62.12 H new ATOM 0 HB3 ARG A 37 7.335 2.019 -7.870 1.00 62.12 H new ATOM 0 HG2 ARG A 37 5.071 2.865 -7.299 1.00 13.41 H new ATOM 0 HG3 ARG A 37 5.629 3.347 -5.710 1.00 13.41 H new ATOM 0 HD2 ARG A 37 5.574 5.327 -7.029 1.00 10.51 H new ATOM 0 HD3 ARG A 37 7.266 4.913 -6.835 1.00 10.51 H new ATOM 0 HE ARG A 37 6.793 3.721 -9.207 1.00 65.13 H new ATOM 0 HH11 ARG A 37 5.890 6.907 -8.062 1.00 62.42 H new ATOM 0 HH12 ARG A 37 5.843 7.581 -9.694 1.00 62.42 H new ATOM 0 HH21 ARG A 37 6.713 4.603 -11.233 1.00 41.14 H new ATOM 0 HH22 ARG A 37 6.298 6.306 -11.450 1.00 41.14 H new ATOM 553 N GLU A 38 8.587 -0.500 -5.475 1.00 73.33 N ATOM 554 CA GLU A 38 9.673 -1.503 -5.558 1.00 75.52 C ATOM 555 C GLU A 38 9.151 -2.935 -5.267 1.00 20.23 C ATOM 556 O GLU A 38 9.709 -3.925 -5.754 1.00 31.22 O ATOM 557 CB GLU A 38 10.818 -1.130 -4.574 1.00 32.22 C ATOM 558 CG GLU A 38 11.616 0.139 -4.968 1.00 3.14 C ATOM 559 CD GLU A 38 12.610 0.616 -3.890 1.00 1.43 C ATOM 560 OE1 GLU A 38 13.461 -0.191 -3.450 1.00 20.20 O ATOM 561 OE2 GLU A 38 12.547 1.795 -3.476 1.00 34.12 O ATOM 0 H GLU A 38 8.546 -0.021 -4.575 1.00 73.33 H new ATOM 0 HA GLU A 38 10.061 -1.496 -6.577 1.00 75.52 H new ATOM 0 HB2 GLU A 38 10.393 -0.983 -3.581 1.00 32.22 H new ATOM 0 HB3 GLU A 38 11.508 -1.971 -4.504 1.00 32.22 H new ATOM 0 HG2 GLU A 38 12.163 -0.060 -5.889 1.00 3.14 H new ATOM 0 HG3 GLU A 38 10.914 0.945 -5.182 1.00 3.14 H new ATOM 568 N LEU A 39 8.097 -3.026 -4.439 1.00 3.24 N ATOM 569 CA LEU A 39 7.387 -4.300 -4.135 1.00 15.41 C ATOM 570 C LEU A 39 6.091 -4.468 -4.970 1.00 12.20 C ATOM 571 O LEU A 39 5.477 -5.543 -4.956 1.00 44.25 O ATOM 572 CB LEU A 39 7.064 -4.378 -2.615 1.00 41.32 C ATOM 573 CG LEU A 39 8.287 -4.658 -1.680 1.00 31.22 C ATOM 574 CD1 LEU A 39 7.900 -4.507 -0.188 1.00 15.33 C ATOM 575 CD2 LEU A 39 8.892 -6.068 -1.969 1.00 22.03 C ATOM 0 H LEU A 39 7.704 -2.219 -3.954 1.00 3.24 H new ATOM 0 HA LEU A 39 8.053 -5.118 -4.410 1.00 15.41 H new ATOM 0 HB2 LEU A 39 6.604 -3.438 -2.310 1.00 41.32 H new ATOM 0 HB3 LEU A 39 6.322 -5.161 -2.459 1.00 41.32 H new ATOM 0 HG LEU A 39 9.053 -3.913 -1.895 1.00 31.22 H new ATOM 0 HD11 LEU A 39 8.771 -4.708 0.436 1.00 15.33 H new ATOM 0 HD12 LEU A 39 7.548 -3.492 -0.004 1.00 15.33 H new ATOM 0 HD13 LEU A 39 7.108 -5.215 0.056 1.00 15.33 H new ATOM 0 HD21 LEU A 39 9.741 -6.242 -1.308 1.00 22.03 H new ATOM 0 HD22 LEU A 39 8.134 -6.832 -1.795 1.00 22.03 H new ATOM 0 HD23 LEU A 39 9.224 -6.116 -3.006 1.00 22.03 H new ATOM 587 N VAL A 40 5.683 -3.410 -5.691 1.00 24.44 N ATOM 588 CA VAL A 40 4.459 -3.414 -6.529 1.00 11.41 C ATOM 589 C VAL A 40 4.816 -3.277 -8.032 1.00 65.14 C ATOM 590 O VAL A 40 5.199 -2.188 -8.486 1.00 10.24 O ATOM 591 CB VAL A 40 3.460 -2.263 -6.112 1.00 53.41 C ATOM 592 CG1 VAL A 40 2.172 -2.287 -6.971 1.00 10.20 C ATOM 593 CG2 VAL A 40 3.127 -2.342 -4.601 1.00 4.11 C ATOM 0 H VAL A 40 6.189 -2.525 -5.713 1.00 24.44 H new ATOM 0 HA VAL A 40 3.965 -4.372 -6.365 1.00 11.41 H new ATOM 0 HB VAL A 40 3.956 -1.311 -6.300 1.00 53.41 H new ATOM 0 HG11 VAL A 40 1.509 -1.481 -6.655 1.00 10.20 H new ATOM 0 HG12 VAL A 40 2.432 -2.153 -8.021 1.00 10.20 H new ATOM 0 HG13 VAL A 40 1.667 -3.244 -6.842 1.00 10.20 H new ATOM 0 HG21 VAL A 40 2.438 -1.540 -4.338 1.00 4.11 H new ATOM 0 HG22 VAL A 40 2.665 -3.304 -4.380 1.00 4.11 H new ATOM 0 HG23 VAL A 40 4.044 -2.238 -4.020 1.00 4.11 H new ATOM 603 N PRO A 41 4.738 -4.397 -8.828 1.00 35.20 N ATOM 604 CA PRO A 41 4.833 -4.332 -10.306 1.00 53.22 C ATOM 605 C PRO A 41 3.532 -3.788 -10.966 1.00 61.24 C ATOM 606 O PRO A 41 2.567 -3.417 -10.279 1.00 51.21 O ATOM 607 CB PRO A 41 5.117 -5.802 -10.698 1.00 3.34 C ATOM 608 CG PRO A 41 4.453 -6.609 -9.626 1.00 61.00 C ATOM 609 CD PRO A 41 4.607 -5.805 -8.350 1.00 13.21 C ATOM 0 HA PRO A 41 5.602 -3.640 -10.649 1.00 53.22 H new ATOM 0 HB2 PRO A 41 4.710 -6.037 -11.682 1.00 3.34 H new ATOM 0 HB3 PRO A 41 6.188 -6.002 -10.740 1.00 3.34 H new ATOM 0 HG2 PRO A 41 3.401 -6.777 -9.858 1.00 61.00 H new ATOM 0 HG3 PRO A 41 4.919 -7.590 -9.529 1.00 61.00 H new ATOM 0 HD2 PRO A 41 3.744 -5.926 -7.695 1.00 13.21 H new ATOM 0 HD3 PRO A 41 5.484 -6.118 -7.784 1.00 13.21 H new ATOM 617 N GLY A 42 3.523 -3.737 -12.312 1.00 33.23 N ATOM 618 CA GLY A 42 2.415 -3.122 -13.066 1.00 14.32 C ATOM 619 C GLY A 42 2.528 -1.596 -13.176 1.00 64.01 C ATOM 620 O GLY A 42 1.653 -0.945 -13.757 1.00 15.15 O ATOM 0 H GLY A 42 4.269 -4.113 -12.898 1.00 33.23 H new ATOM 0 HA2 GLY A 42 2.385 -3.550 -14.068 1.00 14.32 H new ATOM 0 HA3 GLY A 42 1.471 -3.375 -12.583 1.00 14.32 H new ATOM 624 N VAL A 43 3.601 -1.032 -12.593 1.00 12.24 N ATOM 625 CA VAL A 43 3.964 0.388 -12.745 1.00 0.02 C ATOM 626 C VAL A 43 4.742 0.572 -14.080 1.00 12.23 C ATOM 627 O VAL A 43 5.825 -0.007 -14.235 1.00 2.41 O ATOM 628 CB VAL A 43 4.837 0.879 -11.523 1.00 11.32 C ATOM 629 CG1 VAL A 43 5.304 2.344 -11.694 1.00 74.31 C ATOM 630 CG2 VAL A 43 4.075 0.681 -10.182 1.00 2.23 C ATOM 0 H VAL A 43 4.245 -1.553 -11.999 1.00 12.24 H new ATOM 0 HA VAL A 43 3.056 0.990 -12.766 1.00 0.02 H new ATOM 0 HB VAL A 43 5.735 0.262 -11.497 1.00 11.32 H new ATOM 0 HG11 VAL A 43 5.901 2.639 -10.831 1.00 74.31 H new ATOM 0 HG12 VAL A 43 5.906 2.431 -12.598 1.00 74.31 H new ATOM 0 HG13 VAL A 43 4.434 2.996 -11.774 1.00 74.31 H new ATOM 0 HG21 VAL A 43 4.697 1.026 -9.356 1.00 2.23 H new ATOM 0 HG22 VAL A 43 3.148 1.254 -10.202 1.00 2.23 H new ATOM 0 HG23 VAL A 43 3.846 -0.376 -10.046 1.00 2.23 H new ATOM 640 N PRO A 44 4.197 1.352 -15.076 1.00 60.40 N ATOM 641 CA PRO A 44 4.836 1.520 -16.410 1.00 70.21 C ATOM 642 C PRO A 44 6.222 2.215 -16.320 1.00 54.34 C ATOM 643 O PRO A 44 6.389 3.200 -15.584 1.00 61.42 O ATOM 644 CB PRO A 44 3.808 2.374 -17.211 1.00 11.53 C ATOM 645 CG PRO A 44 2.523 2.253 -16.442 1.00 53.24 C ATOM 646 CD PRO A 44 2.934 2.127 -14.993 1.00 22.43 C ATOM 0 HA PRO A 44 5.049 0.563 -16.887 1.00 70.21 H new ATOM 0 HB2 PRO A 44 4.129 3.413 -17.283 1.00 11.53 H new ATOM 0 HB3 PRO A 44 3.695 2.004 -18.230 1.00 11.53 H new ATOM 0 HG2 PRO A 44 1.889 3.126 -16.596 1.00 53.24 H new ATOM 0 HG3 PRO A 44 1.952 1.383 -16.766 1.00 53.24 H new ATOM 0 HD2 PRO A 44 3.087 3.102 -14.530 1.00 22.43 H new ATOM 0 HD3 PRO A 44 2.179 1.608 -14.402 1.00 22.43 H new ATOM 654 N ARG A 45 7.200 1.678 -17.078 1.00 21.25 N ATOM 655 CA ARG A 45 8.616 2.107 -17.018 1.00 52.31 C ATOM 656 C ARG A 45 8.813 3.552 -17.558 1.00 21.15 C ATOM 657 O ARG A 45 8.601 3.817 -18.746 1.00 71.14 O ATOM 658 CB ARG A 45 9.499 1.096 -17.799 1.00 74.04 C ATOM 659 CG ARG A 45 9.441 -0.341 -17.229 1.00 15.32 C ATOM 660 CD ARG A 45 10.325 -1.331 -17.998 1.00 25.24 C ATOM 661 NE ARG A 45 11.741 -0.913 -18.004 1.00 70.35 N ATOM 662 CZ ARG A 45 12.776 -1.674 -17.728 1.00 5.14 C ATOM 663 NH1 ARG A 45 12.649 -2.897 -17.333 1.00 55.25 N ATOM 664 NH2 ARG A 45 13.958 -1.181 -17.834 1.00 62.42 N ATOM 0 H ARG A 45 7.031 0.931 -17.752 1.00 21.25 H new ATOM 0 HA ARG A 45 8.922 2.121 -15.972 1.00 52.31 H new ATOM 0 HB2 ARG A 45 9.182 1.078 -18.842 1.00 74.04 H new ATOM 0 HB3 ARG A 45 10.532 1.442 -17.786 1.00 74.04 H new ATOM 0 HG2 ARG A 45 9.750 -0.323 -16.184 1.00 15.32 H new ATOM 0 HG3 ARG A 45 8.409 -0.692 -17.250 1.00 15.32 H new ATOM 0 HD2 ARG A 45 10.240 -2.320 -17.547 1.00 25.24 H new ATOM 0 HD3 ARG A 45 9.967 -1.417 -19.024 1.00 25.24 H new ATOM 0 HE ARG A 45 11.934 0.059 -18.245 1.00 70.35 H new ATOM 0 HH11 ARG A 45 11.720 -3.304 -17.226 1.00 55.25 H new ATOM 0 HH12 ARG A 45 13.478 -3.456 -17.129 1.00 55.25 H new ATOM 0 HH21 ARG A 45 14.082 -0.212 -18.129 1.00 62.42 H new ATOM 0 HH22 ARG A 45 14.772 -1.758 -17.623 1.00 62.42 H new ATOM 678 N GLY A 46 9.210 4.472 -16.659 1.00 20.52 N ATOM 679 CA GLY A 46 9.434 5.889 -16.998 1.00 52.33 C ATOM 680 C GLY A 46 8.205 6.779 -16.785 1.00 33.53 C ATOM 681 O GLY A 46 8.240 7.972 -17.107 1.00 43.43 O ATOM 0 H GLY A 46 9.384 4.254 -15.678 1.00 20.52 H new ATOM 0 HA2 GLY A 46 10.257 6.271 -16.394 1.00 52.33 H new ATOM 0 HA3 GLY A 46 9.745 5.959 -18.040 1.00 52.33 H new ATOM 685 N THR A 47 7.115 6.194 -16.245 1.00 15.52 N ATOM 686 CA THR A 47 5.861 6.925 -15.940 1.00 50.21 C ATOM 687 C THR A 47 5.856 7.404 -14.467 1.00 21.23 C ATOM 688 O THR A 47 6.154 6.625 -13.548 1.00 60.54 O ATOM 689 CB THR A 47 4.609 6.025 -16.225 1.00 62.13 C ATOM 690 OG1 THR A 47 4.675 5.533 -17.578 1.00 34.33 O ATOM 691 CG2 THR A 47 3.276 6.774 -16.023 1.00 52.23 C ATOM 0 H THR A 47 7.077 5.203 -16.007 1.00 15.52 H new ATOM 0 HA THR A 47 5.811 7.799 -16.590 1.00 50.21 H new ATOM 0 HB THR A 47 4.632 5.204 -15.509 1.00 62.13 H new ATOM 0 HG1 THR A 47 3.780 5.551 -17.977 1.00 34.33 H new ATOM 0 HG21 THR A 47 2.445 6.101 -16.235 1.00 52.23 H new ATOM 0 HG22 THR A 47 3.207 7.123 -14.993 1.00 52.23 H new ATOM 0 HG23 THR A 47 3.232 7.628 -16.699 1.00 52.23 H new ATOM 699 N GLN A 48 5.499 8.690 -14.261 1.00 61.33 N ATOM 700 CA GLN A 48 5.542 9.344 -12.932 1.00 65.14 C ATOM 701 C GLN A 48 4.444 8.789 -11.991 1.00 35.12 C ATOM 702 O GLN A 48 4.734 8.478 -10.839 1.00 55.50 O ATOM 703 CB GLN A 48 5.402 10.901 -13.063 1.00 24.33 C ATOM 704 CG GLN A 48 6.609 11.643 -13.702 1.00 32.44 C ATOM 705 CD GLN A 48 6.849 11.299 -15.179 1.00 11.34 C ATOM 706 OE1 GLN A 48 6.312 11.939 -16.081 1.00 1.43 O ATOM 707 NE2 GLN A 48 7.678 10.305 -15.439 1.00 32.43 N ATOM 0 H GLN A 48 5.174 9.304 -15.008 1.00 61.33 H new ATOM 0 HA GLN A 48 6.514 9.117 -12.494 1.00 65.14 H new ATOM 0 HB2 GLN A 48 4.513 11.117 -13.656 1.00 24.33 H new ATOM 0 HB3 GLN A 48 5.231 11.315 -12.069 1.00 24.33 H new ATOM 0 HG2 GLN A 48 6.449 12.718 -13.612 1.00 32.44 H new ATOM 0 HG3 GLN A 48 7.509 11.406 -13.134 1.00 32.44 H new ATOM 0 HE21 GLN A 48 8.111 9.789 -14.673 1.00 32.43 H new ATOM 0 HE22 GLN A 48 7.885 10.053 -16.405 1.00 32.43 H new ATOM 716 N LEU A 49 3.200 8.677 -12.515 1.00 34.21 N ATOM 717 CA LEU A 49 1.984 8.251 -11.757 1.00 52.12 C ATOM 718 C LEU A 49 1.619 9.220 -10.600 1.00 63.41 C ATOM 719 O LEU A 49 2.468 9.587 -9.780 1.00 52.43 O ATOM 720 CB LEU A 49 2.089 6.791 -11.205 1.00 41.32 C ATOM 721 CG LEU A 49 2.157 5.644 -12.258 1.00 24.24 C ATOM 722 CD1 LEU A 49 2.161 4.260 -11.569 1.00 21.03 C ATOM 723 CD2 LEU A 49 1.004 5.744 -13.289 1.00 4.04 C ATOM 0 H LEU A 49 3.003 8.883 -13.494 1.00 34.21 H new ATOM 0 HA LEU A 49 1.180 8.281 -12.493 1.00 52.12 H new ATOM 0 HB2 LEU A 49 2.978 6.729 -10.577 1.00 41.32 H new ATOM 0 HB3 LEU A 49 1.229 6.609 -10.560 1.00 41.32 H new ATOM 0 HG LEU A 49 3.094 5.757 -12.803 1.00 24.24 H new ATOM 0 HD11 LEU A 49 2.209 3.477 -12.326 1.00 21.03 H new ATOM 0 HD12 LEU A 49 3.027 4.183 -10.912 1.00 21.03 H new ATOM 0 HD13 LEU A 49 1.250 4.143 -10.983 1.00 21.03 H new ATOM 0 HD21 LEU A 49 1.086 4.927 -14.006 1.00 4.04 H new ATOM 0 HD22 LEU A 49 0.047 5.679 -12.772 1.00 4.04 H new ATOM 0 HD23 LEU A 49 1.068 6.697 -13.815 1.00 4.04 H new ATOM 735 N SER A 50 0.335 9.600 -10.532 1.00 55.10 N ATOM 736 CA SER A 50 -0.213 10.381 -9.402 1.00 44.54 C ATOM 737 C SER A 50 -0.206 9.535 -8.101 1.00 71.35 C ATOM 738 O SER A 50 -0.317 8.306 -8.160 1.00 72.53 O ATOM 739 CB SER A 50 -1.643 10.859 -9.737 1.00 41.21 C ATOM 740 OG SER A 50 -1.666 11.653 -10.911 1.00 33.54 O ATOM 0 H SER A 50 -0.353 9.379 -11.252 1.00 55.10 H new ATOM 0 HA SER A 50 0.417 11.255 -9.239 1.00 44.54 H new ATOM 0 HB2 SER A 50 -2.295 9.995 -9.868 1.00 41.21 H new ATOM 0 HB3 SER A 50 -2.041 11.434 -8.900 1.00 41.21 H new ATOM 0 HG SER A 50 -2.585 11.937 -11.096 1.00 33.54 H new ATOM 746 N GLN A 51 -0.087 10.208 -6.939 1.00 61.22 N ATOM 747 CA GLN A 51 0.084 9.545 -5.616 1.00 34.02 C ATOM 748 C GLN A 51 -1.063 8.548 -5.287 1.00 44.14 C ATOM 749 O GLN A 51 -0.819 7.481 -4.705 1.00 65.15 O ATOM 750 CB GLN A 51 0.194 10.610 -4.492 1.00 60.21 C ATOM 751 CG GLN A 51 1.354 11.613 -4.643 1.00 73.41 C ATOM 752 CD GLN A 51 1.452 12.642 -3.500 1.00 31.30 C ATOM 753 OE1 GLN A 51 2.536 13.097 -3.153 1.00 64.32 O ATOM 754 NE2 GLN A 51 0.326 13.042 -2.918 1.00 34.54 N ATOM 0 H GLN A 51 -0.106 11.226 -6.884 1.00 61.22 H new ATOM 0 HA GLN A 51 1.006 8.967 -5.672 1.00 34.02 H new ATOM 0 HB2 GLN A 51 -0.742 11.167 -4.450 1.00 60.21 H new ATOM 0 HB3 GLN A 51 0.303 10.096 -3.537 1.00 60.21 H new ATOM 0 HG2 GLN A 51 2.292 11.061 -4.701 1.00 73.41 H new ATOM 0 HG3 GLN A 51 1.239 12.145 -5.587 1.00 73.41 H new ATOM 0 HE21 GLN A 51 -0.569 12.654 -3.218 1.00 34.54 H new ATOM 0 HE22 GLN A 51 0.356 13.737 -2.172 1.00 34.54 H new ATOM 763 N VAL A 52 -2.310 8.907 -5.670 1.00 14.14 N ATOM 764 CA VAL A 52 -3.491 8.032 -5.466 1.00 74.25 C ATOM 765 C VAL A 52 -3.437 6.798 -6.397 1.00 74.02 C ATOM 766 O VAL A 52 -3.813 5.699 -5.990 1.00 54.34 O ATOM 767 CB VAL A 52 -4.858 8.780 -5.701 1.00 13.33 C ATOM 768 CG1 VAL A 52 -6.058 7.882 -5.304 1.00 74.31 C ATOM 769 CG2 VAL A 52 -4.903 10.116 -4.937 1.00 21.52 C ATOM 0 H VAL A 52 -2.526 9.796 -6.122 1.00 14.14 H new ATOM 0 HA VAL A 52 -3.448 7.719 -4.423 1.00 74.25 H new ATOM 0 HB VAL A 52 -4.934 9.000 -6.766 1.00 13.33 H new ATOM 0 HG11 VAL A 52 -6.989 8.422 -5.476 1.00 74.31 H new ATOM 0 HG12 VAL A 52 -6.048 6.974 -5.907 1.00 74.31 H new ATOM 0 HG13 VAL A 52 -5.981 7.618 -4.249 1.00 74.31 H new ATOM 0 HG21 VAL A 52 -5.859 10.608 -5.120 1.00 21.52 H new ATOM 0 HG22 VAL A 52 -4.790 9.929 -3.869 1.00 21.52 H new ATOM 0 HG23 VAL A 52 -4.093 10.759 -5.280 1.00 21.52 H new ATOM 779 N GLU A 53 -2.977 7.004 -7.652 1.00 22.52 N ATOM 780 CA GLU A 53 -2.817 5.915 -8.647 1.00 71.10 C ATOM 781 C GLU A 53 -1.824 4.845 -8.122 1.00 43.14 C ATOM 782 O GLU A 53 -2.030 3.657 -8.330 1.00 55.31 O ATOM 783 CB GLU A 53 -2.363 6.489 -10.036 1.00 41.43 C ATOM 784 CG GLU A 53 -2.972 5.792 -11.280 1.00 4.13 C ATOM 785 CD GLU A 53 -2.658 4.287 -11.382 1.00 25.53 C ATOM 786 OE1 GLU A 53 -1.536 3.936 -11.803 1.00 3.20 O ATOM 787 OE2 GLU A 53 -3.528 3.448 -11.045 1.00 40.20 O ATOM 0 H GLU A 53 -2.707 7.923 -8.003 1.00 22.52 H new ATOM 0 HA GLU A 53 -3.784 5.433 -8.793 1.00 71.10 H new ATOM 0 HB2 GLU A 53 -2.620 7.548 -10.073 1.00 41.43 H new ATOM 0 HB3 GLU A 53 -1.277 6.422 -10.099 1.00 41.43 H new ATOM 0 HG2 GLU A 53 -4.054 5.925 -11.263 1.00 4.13 H new ATOM 0 HG3 GLU A 53 -2.604 6.290 -12.177 1.00 4.13 H new ATOM 794 N ILE A 54 -0.774 5.291 -7.407 1.00 61.13 N ATOM 795 CA ILE A 54 0.200 4.388 -6.753 1.00 53.21 C ATOM 796 C ILE A 54 -0.485 3.532 -5.647 1.00 63.23 C ATOM 797 O ILE A 54 -0.214 2.337 -5.535 1.00 22.14 O ATOM 798 CB ILE A 54 1.407 5.196 -6.149 1.00 63.34 C ATOM 799 CG1 ILE A 54 2.112 6.037 -7.270 1.00 72.20 C ATOM 800 CG2 ILE A 54 2.415 4.264 -5.415 1.00 42.20 C ATOM 801 CD1 ILE A 54 3.291 6.866 -6.797 1.00 31.32 C ATOM 0 H ILE A 54 -0.575 6.281 -7.265 1.00 61.13 H new ATOM 0 HA ILE A 54 0.587 3.715 -7.518 1.00 53.21 H new ATOM 0 HB ILE A 54 1.014 5.884 -5.401 1.00 63.34 H new ATOM 0 HG12 ILE A 54 2.453 5.359 -8.053 1.00 72.20 H new ATOM 0 HG13 ILE A 54 1.376 6.702 -7.722 1.00 72.20 H new ATOM 0 HG21 ILE A 54 3.234 4.860 -5.012 1.00 42.20 H new ATOM 0 HG22 ILE A 54 1.907 3.748 -4.601 1.00 42.20 H new ATOM 0 HG23 ILE A 54 2.811 3.531 -6.118 1.00 42.20 H new ATOM 0 HD11 ILE A 54 3.713 7.412 -7.640 1.00 31.32 H new ATOM 0 HD12 ILE A 54 2.957 7.573 -6.037 1.00 31.32 H new ATOM 0 HD13 ILE A 54 4.051 6.209 -6.373 1.00 31.32 H new ATOM 813 N LEU A 55 -1.380 4.154 -4.853 1.00 51.14 N ATOM 814 CA LEU A 55 -2.208 3.430 -3.847 1.00 41.43 C ATOM 815 C LEU A 55 -3.116 2.366 -4.512 1.00 50.55 C ATOM 816 O LEU A 55 -3.293 1.274 -3.984 1.00 72.42 O ATOM 817 CB LEU A 55 -3.090 4.416 -3.039 1.00 52.24 C ATOM 818 CG LEU A 55 -2.341 5.468 -2.172 1.00 55.15 C ATOM 819 CD1 LEU A 55 -3.343 6.398 -1.449 1.00 2.11 C ATOM 820 CD2 LEU A 55 -1.382 4.779 -1.174 1.00 74.24 C ATOM 0 H LEU A 55 -1.554 5.159 -4.884 1.00 51.14 H new ATOM 0 HA LEU A 55 -1.515 2.927 -3.173 1.00 41.43 H new ATOM 0 HB2 LEU A 55 -3.735 4.948 -3.738 1.00 52.24 H new ATOM 0 HB3 LEU A 55 -3.739 3.835 -2.384 1.00 52.24 H new ATOM 0 HG LEU A 55 -1.735 6.088 -2.833 1.00 55.15 H new ATOM 0 HD11 LEU A 55 -2.796 7.125 -0.849 1.00 2.11 H new ATOM 0 HD12 LEU A 55 -3.952 6.921 -2.187 1.00 2.11 H new ATOM 0 HD13 LEU A 55 -3.988 5.804 -0.801 1.00 2.11 H new ATOM 0 HD21 LEU A 55 -0.870 5.536 -0.580 1.00 74.24 H new ATOM 0 HD22 LEU A 55 -1.952 4.124 -0.515 1.00 74.24 H new ATOM 0 HD23 LEU A 55 -0.647 4.191 -1.723 1.00 74.24 H new ATOM 832 N GLN A 56 -3.683 2.726 -5.672 1.00 53.13 N ATOM 833 CA GLN A 56 -4.544 1.838 -6.490 1.00 64.24 C ATOM 834 C GLN A 56 -3.736 0.676 -7.119 1.00 73.32 C ATOM 835 O GLN A 56 -4.272 -0.414 -7.310 1.00 43.43 O ATOM 836 CB GLN A 56 -5.273 2.665 -7.575 1.00 41.33 C ATOM 837 CG GLN A 56 -6.239 3.727 -7.008 1.00 13.32 C ATOM 838 CD GLN A 56 -6.902 4.592 -8.081 1.00 65.44 C ATOM 839 OE1 GLN A 56 -7.968 4.265 -8.590 1.00 0.54 O ATOM 840 NE2 GLN A 56 -6.279 5.699 -8.430 1.00 30.30 N ATOM 0 H GLN A 56 -3.559 3.653 -6.080 1.00 53.13 H new ATOM 0 HA GLN A 56 -5.288 1.386 -5.834 1.00 64.24 H new ATOM 0 HB2 GLN A 56 -4.530 3.161 -8.200 1.00 41.33 H new ATOM 0 HB3 GLN A 56 -5.832 1.987 -8.220 1.00 41.33 H new ATOM 0 HG2 GLN A 56 -7.014 3.227 -6.427 1.00 13.32 H new ATOM 0 HG3 GLN A 56 -5.692 4.372 -6.321 1.00 13.32 H new ATOM 0 HE21 GLN A 56 -5.393 5.946 -7.989 1.00 30.30 H new ATOM 0 HE22 GLN A 56 -6.683 6.309 -9.141 1.00 30.30 H new ATOM 849 N ARG A 57 -2.460 0.948 -7.468 1.00 45.04 N ATOM 850 CA ARG A 57 -1.484 -0.088 -7.893 1.00 10.31 C ATOM 851 C ARG A 57 -1.249 -1.113 -6.758 1.00 12.15 C ATOM 852 O ARG A 57 -1.186 -2.319 -7.005 1.00 34.42 O ATOM 853 CB ARG A 57 -0.120 0.561 -8.304 1.00 42.45 C ATOM 854 CG ARG A 57 -0.127 1.407 -9.606 1.00 23.41 C ATOM 855 CD ARG A 57 -0.147 0.566 -10.898 1.00 21.35 C ATOM 856 NE ARG A 57 -1.410 -0.172 -11.107 1.00 54.31 N ATOM 857 CZ ARG A 57 -1.512 -1.458 -11.384 1.00 11.41 C ATOM 858 NH1 ARG A 57 -0.478 -2.242 -11.358 1.00 72.23 N ATOM 859 NH2 ARG A 57 -2.668 -1.961 -11.649 1.00 41.34 N ATOM 0 H ARG A 57 -2.074 1.892 -7.464 1.00 45.04 H new ATOM 0 HA ARG A 57 -1.903 -0.602 -8.758 1.00 10.31 H new ATOM 0 HB2 ARG A 57 0.218 1.196 -7.485 1.00 42.45 H new ATOM 0 HB3 ARG A 57 0.617 -0.234 -8.416 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -0.998 2.062 -9.597 1.00 23.41 H new ATOM 0 HG3 ARG A 57 0.754 2.049 -9.615 1.00 23.41 H new ATOM 0 HD2 ARG A 57 0.025 1.222 -11.751 1.00 21.35 H new ATOM 0 HD3 ARG A 57 0.679 -0.145 -10.871 1.00 21.35 H new ATOM 0 HE ARG A 57 -2.278 0.358 -11.031 1.00 54.31 H new ATOM 0 HH11 ARG A 57 0.440 -1.867 -11.119 1.00 72.23 H new ATOM 0 HH12 ARG A 57 -0.584 -3.233 -11.576 1.00 72.23 H new ATOM 0 HH21 ARG A 57 -3.496 -1.366 -11.644 1.00 41.34 H new ATOM 0 HH22 ARG A 57 -2.755 -2.954 -11.864 1.00 41.34 H new ATOM 873 N VAL A 58 -1.110 -0.599 -5.516 1.00 51.55 N ATOM 874 CA VAL A 58 -0.936 -1.431 -4.302 1.00 53.23 C ATOM 875 C VAL A 58 -2.190 -2.308 -4.037 1.00 73.42 C ATOM 876 O VAL A 58 -2.066 -3.500 -3.765 1.00 42.24 O ATOM 877 CB VAL A 58 -0.626 -0.543 -3.036 1.00 64.13 C ATOM 878 CG1 VAL A 58 -0.526 -1.399 -1.757 1.00 2.11 C ATOM 879 CG2 VAL A 58 0.656 0.302 -3.239 1.00 2.11 C ATOM 0 H VAL A 58 -1.115 0.403 -5.326 1.00 51.55 H new ATOM 0 HA VAL A 58 -0.084 -2.086 -4.482 1.00 53.23 H new ATOM 0 HB VAL A 58 -1.462 0.145 -2.910 1.00 64.13 H new ATOM 0 HG11 VAL A 58 -0.312 -0.755 -0.904 1.00 2.11 H new ATOM 0 HG12 VAL A 58 -1.470 -1.918 -1.592 1.00 2.11 H new ATOM 0 HG13 VAL A 58 0.275 -2.130 -1.870 1.00 2.11 H new ATOM 0 HG21 VAL A 58 0.841 0.902 -2.348 1.00 2.11 H new ATOM 0 HG22 VAL A 58 1.504 -0.360 -3.413 1.00 2.11 H new ATOM 0 HG23 VAL A 58 0.526 0.959 -4.099 1.00 2.11 H new ATOM 889 N ILE A 59 -3.388 -1.692 -4.131 1.00 31.31 N ATOM 890 CA ILE A 59 -4.684 -2.402 -4.001 1.00 52.30 C ATOM 891 C ILE A 59 -4.791 -3.541 -5.043 1.00 75.45 C ATOM 892 O ILE A 59 -5.116 -4.672 -4.701 1.00 3.50 O ATOM 893 CB ILE A 59 -5.893 -1.403 -4.185 1.00 75.45 C ATOM 894 CG1 ILE A 59 -5.909 -0.331 -3.044 1.00 72.13 C ATOM 895 CG2 ILE A 59 -7.252 -2.147 -4.261 1.00 12.24 C ATOM 896 CD1 ILE A 59 -6.945 0.773 -3.201 1.00 4.35 C ATOM 0 H ILE A 59 -3.487 -0.691 -4.299 1.00 31.31 H new ATOM 0 HA ILE A 59 -4.728 -2.830 -3.000 1.00 52.30 H new ATOM 0 HB ILE A 59 -5.749 -0.892 -5.137 1.00 75.45 H new ATOM 0 HG12 ILE A 59 -6.084 -0.838 -2.095 1.00 72.13 H new ATOM 0 HG13 ILE A 59 -4.921 0.126 -2.984 1.00 72.13 H new ATOM 0 HG21 ILE A 59 -8.057 -1.423 -4.388 1.00 12.24 H new ATOM 0 HG22 ILE A 59 -7.244 -2.833 -5.108 1.00 12.24 H new ATOM 0 HG23 ILE A 59 -7.411 -2.709 -3.341 1.00 12.24 H new ATOM 0 HD11 ILE A 59 -6.873 1.462 -2.360 1.00 4.35 H new ATOM 0 HD12 ILE A 59 -6.763 1.314 -4.130 1.00 4.35 H new ATOM 0 HD13 ILE A 59 -7.943 0.335 -3.226 1.00 4.35 H new ATOM 908 N ASP A 60 -4.474 -3.204 -6.305 1.00 65.53 N ATOM 909 CA ASP A 60 -4.525 -4.136 -7.455 1.00 3.01 C ATOM 910 C ASP A 60 -3.537 -5.320 -7.264 1.00 65.12 C ATOM 911 O ASP A 60 -3.832 -6.461 -7.646 1.00 4.54 O ATOM 912 CB ASP A 60 -4.199 -3.348 -8.750 1.00 73.20 C ATOM 913 CG ASP A 60 -4.493 -4.119 -10.048 1.00 12.01 C ATOM 914 OD1 ASP A 60 -5.670 -4.171 -10.453 1.00 12.35 O ATOM 915 OD2 ASP A 60 -3.550 -4.642 -10.681 1.00 64.34 O ATOM 0 H ASP A 60 -4.171 -2.265 -6.563 1.00 65.53 H new ATOM 0 HA ASP A 60 -5.525 -4.563 -7.528 1.00 3.01 H new ATOM 0 HB2 ASP A 60 -4.774 -2.422 -8.753 1.00 73.20 H new ATOM 0 HB3 ASP A 60 -3.145 -3.069 -8.737 1.00 73.20 H new ATOM 920 N TYR A 61 -2.370 -5.010 -6.665 1.00 3.40 N ATOM 921 CA TYR A 61 -1.338 -6.005 -6.295 1.00 73.13 C ATOM 922 C TYR A 61 -1.871 -7.013 -5.249 1.00 61.53 C ATOM 923 O TYR A 61 -1.654 -8.224 -5.369 1.00 2.21 O ATOM 924 CB TYR A 61 -0.076 -5.274 -5.748 1.00 1.14 C ATOM 925 CG TYR A 61 1.032 -6.205 -5.209 1.00 1.21 C ATOM 926 CD1 TYR A 61 1.920 -6.841 -6.077 1.00 51.33 C ATOM 927 CD2 TYR A 61 1.178 -6.456 -3.835 1.00 31.25 C ATOM 928 CE1 TYR A 61 2.906 -7.680 -5.607 1.00 61.32 C ATOM 929 CE2 TYR A 61 2.170 -7.296 -3.368 1.00 13.34 C ATOM 930 CZ TYR A 61 3.029 -7.904 -4.257 1.00 33.25 C ATOM 931 OH TYR A 61 4.018 -8.737 -3.799 1.00 24.52 O ATOM 0 H TYR A 61 -2.113 -4.054 -6.421 1.00 3.40 H new ATOM 0 HA TYR A 61 -1.072 -6.569 -7.189 1.00 73.13 H new ATOM 0 HB2 TYR A 61 0.343 -4.658 -6.544 1.00 1.14 H new ATOM 0 HB3 TYR A 61 -0.383 -4.598 -4.950 1.00 1.14 H new ATOM 0 HD1 TYR A 61 1.832 -6.672 -7.140 1.00 51.33 H new ATOM 0 HD2 TYR A 61 0.505 -5.986 -3.133 1.00 31.25 H new ATOM 0 HE1 TYR A 61 3.582 -8.161 -6.299 1.00 61.32 H new ATOM 0 HE2 TYR A 61 2.272 -7.476 -2.308 1.00 13.34 H new ATOM 0 HH TYR A 61 4.784 -8.701 -4.409 1.00 24.52 H new ATOM 941 N ILE A 62 -2.555 -6.491 -4.211 1.00 63.25 N ATOM 942 CA ILE A 62 -3.144 -7.331 -3.143 1.00 31.32 C ATOM 943 C ILE A 62 -4.315 -8.189 -3.704 1.00 34.51 C ATOM 944 O ILE A 62 -4.468 -9.342 -3.324 1.00 13.15 O ATOM 945 CB ILE A 62 -3.628 -6.471 -1.905 1.00 44.24 C ATOM 946 CG1 ILE A 62 -2.465 -5.564 -1.359 1.00 43.31 C ATOM 947 CG2 ILE A 62 -4.177 -7.380 -0.771 1.00 12.23 C ATOM 948 CD1 ILE A 62 -2.875 -4.583 -0.260 1.00 42.14 C ATOM 0 H ILE A 62 -2.714 -5.491 -4.088 1.00 63.25 H new ATOM 0 HA ILE A 62 -2.358 -7.997 -2.786 1.00 31.32 H new ATOM 0 HB ILE A 62 -4.436 -5.826 -2.250 1.00 44.24 H new ATOM 0 HG12 ILE A 62 -1.673 -6.206 -0.975 1.00 43.31 H new ATOM 0 HG13 ILE A 62 -2.043 -5.000 -2.191 1.00 43.31 H new ATOM 0 HG21 ILE A 62 -4.502 -6.762 0.066 1.00 12.23 H new ATOM 0 HG22 ILE A 62 -5.022 -7.958 -1.145 1.00 12.23 H new ATOM 0 HG23 ILE A 62 -3.393 -8.059 -0.437 1.00 12.23 H new ATOM 0 HD11 ILE A 62 -2.007 -4.002 0.052 1.00 42.14 H new ATOM 0 HD12 ILE A 62 -3.644 -3.910 -0.641 1.00 42.14 H new ATOM 0 HD13 ILE A 62 -3.267 -5.136 0.593 1.00 42.14 H new ATOM 960 N LEU A 63 -5.108 -7.621 -4.636 1.00 61.30 N ATOM 961 CA LEU A 63 -6.207 -8.350 -5.332 1.00 13.54 C ATOM 962 C LEU A 63 -5.660 -9.503 -6.219 1.00 4.41 C ATOM 963 O LEU A 63 -6.332 -10.513 -6.422 1.00 2.55 O ATOM 964 CB LEU A 63 -7.048 -7.367 -6.195 1.00 74.35 C ATOM 965 CG LEU A 63 -7.811 -6.243 -5.418 1.00 13.35 C ATOM 966 CD1 LEU A 63 -8.548 -5.299 -6.396 1.00 63.41 C ATOM 967 CD2 LEU A 63 -8.777 -6.840 -4.360 1.00 60.10 C ATOM 0 H LEU A 63 -5.012 -6.649 -4.931 1.00 61.30 H new ATOM 0 HA LEU A 63 -6.845 -8.791 -4.566 1.00 13.54 H new ATOM 0 HB2 LEU A 63 -6.385 -6.893 -6.919 1.00 74.35 H new ATOM 0 HB3 LEU A 63 -7.777 -7.946 -6.762 1.00 74.35 H new ATOM 0 HG LEU A 63 -7.073 -5.649 -4.878 1.00 13.35 H new ATOM 0 HD11 LEU A 63 -9.071 -4.527 -5.832 1.00 63.41 H new ATOM 0 HD12 LEU A 63 -7.825 -4.833 -7.066 1.00 63.41 H new ATOM 0 HD13 LEU A 63 -9.268 -5.871 -6.981 1.00 63.41 H new ATOM 0 HD21 LEU A 63 -9.290 -6.032 -3.839 1.00 60.10 H new ATOM 0 HD22 LEU A 63 -9.511 -7.476 -4.855 1.00 60.10 H new ATOM 0 HD23 LEU A 63 -8.209 -7.432 -3.642 1.00 60.10 H new ATOM 979 N ASP A 64 -4.434 -9.314 -6.741 1.00 71.23 N ATOM 980 CA ASP A 64 -3.684 -10.354 -7.490 1.00 2.04 C ATOM 981 C ASP A 64 -3.254 -11.524 -6.551 1.00 22.23 C ATOM 982 O ASP A 64 -3.176 -12.681 -6.980 1.00 23.22 O ATOM 983 CB ASP A 64 -2.460 -9.684 -8.170 1.00 51.53 C ATOM 984 CG ASP A 64 -1.587 -10.640 -9.003 1.00 61.35 C ATOM 985 OD1 ASP A 64 -1.980 -10.989 -10.136 1.00 13.34 O ATOM 986 OD2 ASP A 64 -0.499 -11.031 -8.535 1.00 32.35 O ATOM 0 H ASP A 64 -3.928 -8.432 -6.658 1.00 71.23 H new ATOM 0 HA ASP A 64 -4.325 -10.792 -8.255 1.00 2.04 H new ATOM 0 HB2 ASP A 64 -2.814 -8.881 -8.816 1.00 51.53 H new ATOM 0 HB3 ASP A 64 -1.840 -9.224 -7.400 1.00 51.53 H new ATOM 991 N LEU A 65 -2.975 -11.190 -5.273 1.00 4.33 N ATOM 992 CA LEU A 65 -2.653 -12.183 -4.214 1.00 21.34 C ATOM 993 C LEU A 65 -3.919 -12.940 -3.734 1.00 72.51 C ATOM 994 O LEU A 65 -3.885 -14.152 -3.508 1.00 50.32 O ATOM 995 CB LEU A 65 -1.983 -11.463 -3.006 1.00 15.53 C ATOM 996 CG LEU A 65 -0.650 -10.711 -3.315 1.00 70.25 C ATOM 997 CD1 LEU A 65 -0.143 -9.927 -2.082 1.00 64.55 C ATOM 998 CD2 LEU A 65 0.425 -11.686 -3.852 1.00 34.31 C ATOM 0 H LEU A 65 -2.965 -10.225 -4.942 1.00 4.33 H new ATOM 0 HA LEU A 65 -1.966 -12.915 -4.639 1.00 21.34 H new ATOM 0 HB2 LEU A 65 -2.694 -10.747 -2.594 1.00 15.53 H new ATOM 0 HB3 LEU A 65 -1.789 -12.202 -2.229 1.00 15.53 H new ATOM 0 HG LEU A 65 -0.854 -9.980 -4.098 1.00 70.25 H new ATOM 0 HD11 LEU A 65 0.786 -9.416 -2.333 1.00 64.55 H new ATOM 0 HD12 LEU A 65 -0.892 -9.193 -1.784 1.00 64.55 H new ATOM 0 HD13 LEU A 65 0.034 -10.619 -1.259 1.00 64.55 H new ATOM 0 HD21 LEU A 65 1.343 -11.137 -4.059 1.00 34.31 H new ATOM 0 HD22 LEU A 65 0.623 -12.456 -3.106 1.00 34.31 H new ATOM 0 HD23 LEU A 65 0.067 -12.153 -4.769 1.00 34.31 H new ATOM 1010 N GLN A 66 -5.022 -12.187 -3.584 1.00 12.22 N ATOM 1011 CA GLN A 66 -6.309 -12.698 -3.052 1.00 14.22 C ATOM 1012 C GLN A 66 -7.069 -13.541 -4.114 1.00 52.04 C ATOM 1013 O GLN A 66 -7.224 -14.758 -3.969 1.00 75.54 O ATOM 1014 CB GLN A 66 -7.212 -11.516 -2.561 1.00 53.54 C ATOM 1015 CG GLN A 66 -6.614 -10.642 -1.435 1.00 22.11 C ATOM 1016 CD GLN A 66 -6.358 -11.391 -0.123 1.00 74.15 C ATOM 1017 OE1 GLN A 66 -5.280 -11.939 0.097 1.00 15.13 O ATOM 1018 NE2 GLN A 66 -7.345 -11.420 0.756 1.00 14.41 N ATOM 0 H GLN A 66 -5.052 -11.197 -3.829 1.00 12.22 H new ATOM 0 HA GLN A 66 -6.079 -13.345 -2.205 1.00 14.22 H new ATOM 0 HB2 GLN A 66 -7.436 -10.875 -3.414 1.00 53.54 H new ATOM 0 HB3 GLN A 66 -8.160 -11.927 -2.213 1.00 53.54 H new ATOM 0 HG2 GLN A 66 -5.675 -10.213 -1.784 1.00 22.11 H new ATOM 0 HG3 GLN A 66 -7.291 -9.810 -1.239 1.00 22.11 H new ATOM 0 HE21 GLN A 66 -8.229 -10.956 0.546 1.00 14.41 H new ATOM 0 HE22 GLN A 66 -7.223 -11.906 1.644 1.00 14.41 H new ATOM 1027 N VAL A 67 -7.529 -12.872 -5.185 1.00 61.54 N ATOM 1028 CA VAL A 67 -8.331 -13.499 -6.259 1.00 71.44 C ATOM 1029 C VAL A 67 -7.418 -14.206 -7.291 1.00 41.43 C ATOM 1030 O VAL A 67 -6.542 -13.574 -7.894 1.00 43.23 O ATOM 1031 CB VAL A 67 -9.238 -12.434 -6.995 1.00 65.43 C ATOM 1032 CG1 VAL A 67 -10.148 -13.090 -8.069 1.00 73.41 C ATOM 1033 CG2 VAL A 67 -10.075 -11.621 -5.972 1.00 2.34 C ATOM 0 H VAL A 67 -7.357 -11.878 -5.334 1.00 61.54 H new ATOM 0 HA VAL A 67 -8.977 -14.241 -5.789 1.00 71.44 H new ATOM 0 HB VAL A 67 -8.574 -11.745 -7.517 1.00 65.43 H new ATOM 0 HG11 VAL A 67 -10.754 -12.323 -8.550 1.00 73.41 H new ATOM 0 HG12 VAL A 67 -9.529 -13.585 -8.817 1.00 73.41 H new ATOM 0 HG13 VAL A 67 -10.800 -13.823 -7.595 1.00 73.41 H new ATOM 0 HG21 VAL A 67 -10.691 -10.894 -6.502 1.00 2.34 H new ATOM 0 HG22 VAL A 67 -10.716 -12.298 -5.407 1.00 2.34 H new ATOM 0 HG23 VAL A 67 -9.406 -11.099 -5.288 1.00 2.34 H new ATOM 1043 N VAL A 68 -7.617 -15.529 -7.461 1.00 21.32 N ATOM 1044 CA VAL A 68 -6.917 -16.338 -8.491 1.00 3.04 C ATOM 1045 C VAL A 68 -7.905 -16.705 -9.644 1.00 12.13 C ATOM 1046 O VAL A 68 -7.766 -16.162 -10.757 1.00 38.17 O ATOM 1047 CB VAL A 68 -6.288 -17.640 -7.852 1.00 51.14 C ATOM 1048 CG1 VAL A 68 -5.504 -18.466 -8.904 1.00 60.31 C ATOM 1049 CG2 VAL A 68 -5.397 -17.290 -6.627 1.00 41.43 C ATOM 1050 OXT VAL A 68 -8.851 -17.491 -9.404 1.00 38.17 O ATOM 0 H VAL A 68 -8.266 -16.070 -6.890 1.00 21.32 H new ATOM 0 HA VAL A 68 -6.102 -15.745 -8.906 1.00 3.04 H new ATOM 0 HB VAL A 68 -7.109 -18.262 -7.496 1.00 51.14 H new ATOM 0 HG11 VAL A 68 -5.085 -19.354 -8.431 1.00 60.31 H new ATOM 0 HG12 VAL A 68 -6.178 -18.766 -9.707 1.00 60.31 H new ATOM 0 HG13 VAL A 68 -4.697 -17.859 -9.315 1.00 60.31 H new ATOM 0 HG21 VAL A 68 -4.978 -18.205 -6.208 1.00 41.43 H new ATOM 0 HG22 VAL A 68 -4.588 -16.631 -6.942 1.00 41.43 H new ATOM 0 HG23 VAL A 68 -6.000 -16.788 -5.870 1.00 41.43 H new TER 1060 VAL A 68 ATOM 1061 N MET B 1 9.595 3.150 28.314 1.00 3.54 N ATOM 1062 CA MET B 1 8.418 3.874 28.864 1.00 15.10 C ATOM 1063 C MET B 1 8.598 5.404 28.714 1.00 31.30 C ATOM 1064 O MET B 1 9.669 5.936 29.019 1.00 14.32 O ATOM 1065 CB MET B 1 8.205 3.497 30.355 1.00 24.00 C ATOM 1066 CG MET B 1 7.876 2.015 30.602 1.00 70.22 C ATOM 1067 SD MET B 1 7.656 1.630 32.356 1.00 74.30 S ATOM 1068 CE MET B 1 7.247 -0.118 32.294 1.00 1.52 C ATOM 0 H1 MET B 1 9.392 2.130 28.284 1.00 3.54 H new ATOM 0 H2 MET B 1 9.795 3.492 27.352 1.00 3.54 H new ATOM 0 H3 MET B 1 10.422 3.320 28.921 1.00 3.54 H new ATOM 0 HA MET B 1 7.535 3.577 28.298 1.00 15.10 H new ATOM 0 HB2 MET B 1 9.106 3.753 30.913 1.00 24.00 H new ATOM 0 HB3 MET B 1 7.396 4.107 30.758 1.00 24.00 H new ATOM 0 HG2 MET B 1 6.967 1.754 30.060 1.00 70.22 H new ATOM 0 HG3 MET B 1 8.677 1.397 30.197 1.00 70.22 H new ATOM 0 HE1 MET B 1 7.085 -0.490 33.306 1.00 1.52 H new ATOM 0 HE2 MET B 1 6.340 -0.259 31.706 1.00 1.52 H new ATOM 0 HE3 MET B 1 8.068 -0.668 31.833 1.00 1.52 H new ATOM 1080 N GLY B 2 7.536 6.094 28.252 1.00 54.01 N ATOM 1081 CA GLY B 2 7.567 7.553 28.030 1.00 71.44 C ATOM 1082 C GLY B 2 8.168 7.960 26.675 1.00 62.14 C ATOM 1083 O GLY B 2 8.266 7.136 25.758 1.00 61.34 O ATOM 0 H GLY B 2 6.641 5.661 28.024 1.00 54.01 H new ATOM 0 HA2 GLY B 2 6.552 7.944 28.099 1.00 71.44 H new ATOM 0 HA3 GLY B 2 8.143 8.021 28.828 1.00 71.44 H new ATOM 1087 N HIS B 3 8.566 9.243 26.556 1.00 64.33 N ATOM 1088 CA HIS B 3 9.206 9.803 25.341 1.00 71.13 C ATOM 1089 C HIS B 3 9.999 11.089 25.698 1.00 13.01 C ATOM 1090 O HIS B 3 9.414 12.071 26.170 1.00 41.55 O ATOM 1091 CB HIS B 3 8.137 10.117 24.255 1.00 23.14 C ATOM 1092 CG HIS B 3 8.708 10.647 22.957 1.00 23.31 C ATOM 1093 ND1 HIS B 3 8.854 11.996 22.733 1.00 4.05 N ATOM 1094 CD2 HIS B 3 9.174 9.973 21.873 1.00 4.01 C ATOM 1095 CE1 HIS B 3 9.399 12.114 21.539 1.00 4.20 C ATOM 1096 NE2 HIS B 3 9.613 10.916 20.975 1.00 74.41 N ATOM 0 H HIS B 3 8.453 9.927 27.304 1.00 64.33 H new ATOM 0 HA HIS B 3 9.897 9.061 24.942 1.00 71.13 H new ATOM 0 HB2 HIS B 3 7.570 9.210 24.046 1.00 23.14 H new ATOM 0 HB3 HIS B 3 7.433 10.847 24.654 1.00 23.14 H new ATOM 0 HD2 HIS B 3 9.195 8.901 21.742 1.00 4.01 H new ATOM 0 HE1 HIS B 3 9.643 13.057 21.073 1.00 4.20 H new ATOM 0 HE2 HIS B 3 10.022 10.739 20.058 1.00 74.41 H new ATOM 1104 N HIS B 4 11.324 11.067 25.473 1.00 75.13 N ATOM 1105 CA HIS B 4 12.203 12.236 25.707 1.00 53.32 C ATOM 1106 C HIS B 4 12.197 13.157 24.455 1.00 64.12 C ATOM 1107 O HIS B 4 12.693 12.767 23.387 1.00 74.11 O ATOM 1108 CB HIS B 4 13.649 11.760 26.038 1.00 21.02 C ATOM 1109 CG HIS B 4 14.574 12.835 26.591 1.00 13.40 C ATOM 1110 ND1 HIS B 4 14.454 14.159 26.236 1.00 62.30 N ATOM 1111 CD2 HIS B 4 15.583 12.724 27.496 1.00 64.42 C ATOM 1112 CE1 HIS B 4 15.367 14.811 26.922 1.00 55.10 C ATOM 1113 NE2 HIS B 4 16.076 13.987 27.703 1.00 2.44 N ATOM 0 H HIS B 4 11.818 10.245 25.126 1.00 75.13 H new ATOM 0 HA HIS B 4 11.828 12.805 26.558 1.00 53.32 H new ATOM 0 HB2 HIS B 4 13.590 10.947 26.761 1.00 21.02 H new ATOM 0 HB3 HIS B 4 14.096 11.350 25.132 1.00 21.02 H new ATOM 0 HD2 HIS B 4 15.930 11.814 27.963 1.00 64.42 H new ATOM 0 HE1 HIS B 4 15.525 15.878 26.863 1.00 55.10 H new ATOM 0 HE2 HIS B 4 16.836 14.248 28.331 1.00 2.44 H new ATOM 1121 N HIS B 5 11.631 14.369 24.602 1.00 21.14 N ATOM 1122 CA HIS B 5 11.542 15.359 23.504 1.00 1.43 C ATOM 1123 C HIS B 5 12.763 16.320 23.518 1.00 44.32 C ATOM 1124 O HIS B 5 13.182 16.791 24.586 1.00 71.15 O ATOM 1125 CB HIS B 5 10.224 16.171 23.617 1.00 3.33 C ATOM 1126 CG HIS B 5 9.999 17.131 22.469 1.00 51.12 C ATOM 1127 ND1 HIS B 5 10.521 18.405 22.478 1.00 52.40 N ATOM 1128 CD2 HIS B 5 9.345 16.938 21.295 1.00 24.13 C ATOM 1129 CE1 HIS B 5 10.182 18.948 21.323 1.00 51.43 C ATOM 1130 NE2 HIS B 5 9.471 18.097 20.575 1.00 2.55 N ATOM 0 H HIS B 5 11.223 14.692 25.479 1.00 21.14 H new ATOM 0 HA HIS B 5 11.546 14.816 22.559 1.00 1.43 H new ATOM 0 HB2 HIS B 5 9.384 15.478 23.669 1.00 3.33 H new ATOM 0 HB3 HIS B 5 10.233 16.732 24.551 1.00 3.33 H new ATOM 0 HD2 HIS B 5 8.825 16.043 20.988 1.00 24.13 H new ATOM 0 HE1 HIS B 5 10.445 19.951 21.021 1.00 51.43 H new ATOM 0 HE2 HIS B 5 9.094 18.277 19.644 1.00 2.55 H new ATOM 1138 N HIS B 6 13.316 16.609 22.320 1.00 0.54 N ATOM 1139 CA HIS B 6 14.439 17.567 22.133 1.00 44.12 C ATOM 1140 C HIS B 6 14.065 18.669 21.108 1.00 51.35 C ATOM 1141 O HIS B 6 13.842 18.381 19.923 1.00 32.20 O ATOM 1142 CB HIS B 6 15.722 16.825 21.670 1.00 34.24 C ATOM 1143 CG HIS B 6 16.324 15.909 22.710 1.00 4.12 C ATOM 1144 ND1 HIS B 6 17.404 16.300 23.461 1.00 32.44 N ATOM 1145 CD2 HIS B 6 15.980 14.646 23.068 1.00 53.21 C ATOM 1146 CE1 HIS B 6 17.696 15.281 24.241 1.00 41.34 C ATOM 1147 NE2 HIS B 6 16.861 14.254 24.042 1.00 33.11 N ATOM 0 H HIS B 6 12.998 16.185 21.449 1.00 0.54 H new ATOM 0 HA HIS B 6 14.635 18.041 23.095 1.00 44.12 H new ATOM 0 HB2 HIS B 6 15.488 16.240 20.781 1.00 34.24 H new ATOM 0 HB3 HIS B 6 16.469 17.564 21.378 1.00 34.24 H new ATOM 0 HD2 HIS B 6 15.167 14.061 22.663 1.00 53.21 H new ATOM 0 HE1 HIS B 6 18.508 15.274 24.953 1.00 41.34 H new ATOM 0 HE2 HIS B 6 16.877 13.354 24.522 1.00 33.11 H new ATOM 1155 N HIS B 7 13.985 19.923 21.581 1.00 3.54 N ATOM 1156 CA HIS B 7 13.798 21.112 20.722 1.00 74.12 C ATOM 1157 C HIS B 7 15.183 21.625 20.251 1.00 12.24 C ATOM 1158 O HIS B 7 16.187 21.448 20.952 1.00 22.21 O ATOM 1159 CB HIS B 7 13.033 22.214 21.500 1.00 44.23 C ATOM 1160 CG HIS B 7 12.631 23.397 20.650 1.00 62.14 C ATOM 1161 ND1 HIS B 7 13.453 24.489 20.506 1.00 73.34 N ATOM 1162 CD2 HIS B 7 11.514 23.589 19.900 1.00 24.22 C ATOM 1163 CE1 HIS B 7 12.830 25.307 19.681 1.00 22.25 C ATOM 1164 NE2 HIS B 7 11.654 24.807 19.287 1.00 73.31 N ATOM 0 H HIS B 7 14.048 20.146 22.574 1.00 3.54 H new ATOM 0 HA HIS B 7 13.206 20.845 19.847 1.00 74.12 H new ATOM 0 HB2 HIS B 7 12.138 21.777 21.944 1.00 44.23 H new ATOM 0 HB3 HIS B 7 13.657 22.565 22.322 1.00 44.23 H new ATOM 0 HD2 HIS B 7 10.677 22.912 19.805 1.00 24.22 H new ATOM 0 HE1 HIS B 7 13.221 26.262 19.363 1.00 22.25 H new ATOM 0 HE2 HIS B 7 10.989 25.248 18.652 1.00 73.31 H new ATOM 1172 N HIS B 8 15.232 22.269 19.071 1.00 24.20 N ATOM 1173 CA HIS B 8 16.510 22.678 18.438 1.00 51.22 C ATOM 1174 C HIS B 8 16.388 24.027 17.688 1.00 42.31 C ATOM 1175 O HIS B 8 15.289 24.543 17.466 1.00 33.13 O ATOM 1176 CB HIS B 8 17.008 21.559 17.481 1.00 63.24 C ATOM 1177 CG HIS B 8 16.084 21.265 16.323 1.00 11.21 C ATOM 1178 ND1 HIS B 8 16.322 21.779 15.071 1.00 21.43 N ATOM 1179 CD2 HIS B 8 14.957 20.506 16.276 1.00 15.22 C ATOM 1180 CE1 HIS B 8 15.350 21.327 14.301 1.00 44.01 C ATOM 1181 NE2 HIS B 8 14.504 20.553 14.986 1.00 31.52 N ATOM 0 H HIS B 8 14.403 22.520 18.532 1.00 24.20 H new ATOM 0 HA HIS B 8 17.241 22.825 19.233 1.00 51.22 H new ATOM 0 HB2 HIS B 8 17.984 21.844 17.087 1.00 63.24 H new ATOM 0 HB3 HIS B 8 17.151 20.644 18.056 1.00 63.24 H new ATOM 0 HD2 HIS B 8 14.506 19.970 17.098 1.00 15.22 H new ATOM 0 HE1 HIS B 8 15.251 21.554 13.250 1.00 44.01 H new ATOM 0 HE2 HIS B 8 13.676 20.085 14.617 1.00 31.52 H new ATOM 1189 N SER B 9 17.554 24.578 17.317 1.00 32.35 N ATOM 1190 CA SER B 9 17.684 25.846 16.554 1.00 54.44 C ATOM 1191 C SER B 9 18.439 25.599 15.220 1.00 34.11 C ATOM 1192 O SER B 9 19.218 26.438 14.751 1.00 21.15 O ATOM 1193 CB SER B 9 18.429 26.891 17.431 1.00 62.43 C ATOM 1194 OG SER B 9 18.489 28.168 16.802 1.00 55.40 O ATOM 0 H SER B 9 18.454 24.153 17.539 1.00 32.35 H new ATOM 0 HA SER B 9 16.694 26.230 16.308 1.00 54.44 H new ATOM 0 HB2 SER B 9 17.924 26.984 18.393 1.00 62.43 H new ATOM 0 HB3 SER B 9 19.440 26.539 17.635 1.00 62.43 H new ATOM 0 HG SER B 9 18.777 28.061 15.871 1.00 55.40 H new ATOM 1200 N HIS B 10 18.182 24.431 14.596 1.00 14.41 N ATOM 1201 CA HIS B 10 18.835 24.036 13.318 1.00 21.41 C ATOM 1202 C HIS B 10 18.089 24.610 12.090 1.00 24.43 C ATOM 1203 O HIS B 10 16.881 24.854 12.140 1.00 23.41 O ATOM 1204 CB HIS B 10 18.929 22.492 13.202 1.00 24.21 C ATOM 1205 CG HIS B 10 19.764 21.854 14.284 1.00 32.20 C ATOM 1206 ND1 HIS B 10 19.334 20.793 15.045 1.00 71.31 N ATOM 1207 CD2 HIS B 10 21.027 22.117 14.697 1.00 44.22 C ATOM 1208 CE1 HIS B 10 20.286 20.438 15.877 1.00 12.02 C ATOM 1209 NE2 HIS B 10 21.323 21.222 15.687 1.00 54.33 N ATOM 0 H HIS B 10 17.525 23.738 14.954 1.00 14.41 H new ATOM 0 HA HIS B 10 19.841 24.456 13.330 1.00 21.41 H new ATOM 0 HB2 HIS B 10 17.924 22.072 13.235 1.00 24.21 H new ATOM 0 HB3 HIS B 10 19.350 22.234 12.230 1.00 24.21 H new ATOM 0 HD1 HIS B 10 18.418 20.350 14.974 1.00 71.31 H new ATOM 0 HD2 HIS B 10 21.678 22.889 14.315 1.00 44.22 H new ATOM 0 HE1 HIS B 10 20.226 19.635 16.597 1.00 12.02 H new ATOM 1218 N MET B 11 18.835 24.808 10.990 1.00 0.14 N ATOM 1219 CA MET B 11 18.299 25.302 9.700 1.00 0.21 C ATOM 1220 C MET B 11 18.806 24.413 8.534 1.00 61.14 C ATOM 1221 O MET B 11 19.927 23.896 8.588 1.00 62.45 O ATOM 1222 CB MET B 11 18.680 26.801 9.490 1.00 3.13 C ATOM 1223 CG MET B 11 20.191 27.105 9.394 1.00 74.22 C ATOM 1224 SD MET B 11 21.108 26.702 10.903 1.00 2.41 S ATOM 1225 CE MET B 11 22.783 27.175 10.450 1.00 62.22 C ATOM 0 H MET B 11 19.839 24.629 10.966 1.00 0.14 H new ATOM 0 HA MET B 11 17.211 25.239 9.718 1.00 0.21 H new ATOM 0 HB2 MET B 11 18.199 27.154 8.578 1.00 3.13 H new ATOM 0 HB3 MET B 11 18.264 27.381 10.314 1.00 3.13 H new ATOM 0 HG2 MET B 11 20.614 26.544 8.561 1.00 74.22 H new ATOM 0 HG3 MET B 11 20.327 28.163 9.168 1.00 74.22 H new ATOM 0 HE1 MET B 11 23.455 26.981 11.286 1.00 62.22 H new ATOM 0 HE2 MET B 11 23.104 26.594 9.585 1.00 62.22 H new ATOM 0 HE3 MET B 11 22.807 28.237 10.204 1.00 62.22 H new ATOM 1235 N GLY B 12 17.969 24.237 7.494 1.00 50.40 N ATOM 1236 CA GLY B 12 18.280 23.347 6.358 1.00 73.24 C ATOM 1237 C GLY B 12 18.123 21.852 6.696 1.00 34.01 C ATOM 1238 O GLY B 12 19.058 21.061 6.512 1.00 73.45 O ATOM 0 H GLY B 12 17.065 24.703 7.417 1.00 50.40 H new ATOM 0 HA2 GLY B 12 17.626 23.594 5.522 1.00 73.24 H new ATOM 0 HA3 GLY B 12 19.302 23.533 6.029 1.00 73.24 H new ATOM 1242 N GLY B 13 16.925 21.466 7.191 1.00 43.34 N ATOM 1243 CA GLY B 13 16.632 20.064 7.590 1.00 61.53 C ATOM 1244 C GLY B 13 15.633 19.334 6.676 1.00 33.10 C ATOM 1245 O GLY B 13 15.198 18.214 6.992 1.00 72.32 O ATOM 0 H GLY B 13 16.142 22.105 7.325 1.00 43.34 H new ATOM 0 HA2 GLY B 13 17.566 19.502 7.607 1.00 61.53 H new ATOM 0 HA3 GLY B 13 16.241 20.064 8.607 1.00 61.53 H new ATOM 1249 N GLY B 14 15.273 19.965 5.545 1.00 23.41 N ATOM 1250 CA GLY B 14 14.310 19.398 4.584 1.00 70.14 C ATOM 1251 C GLY B 14 13.996 20.348 3.424 1.00 34.22 C ATOM 1252 O GLY B 14 14.257 21.556 3.517 1.00 31.45 O ATOM 0 H GLY B 14 15.639 20.877 5.272 1.00 23.41 H new ATOM 0 HA2 GLY B 14 14.709 18.465 4.185 1.00 70.14 H new ATOM 0 HA3 GLY B 14 13.385 19.152 5.106 1.00 70.14 H new ATOM 1256 N LYS B 15 13.445 19.799 2.322 1.00 21.11 N ATOM 1257 CA LYS B 15 13.048 20.594 1.127 1.00 34.44 C ATOM 1258 C LYS B 15 11.737 21.395 1.366 1.00 64.43 C ATOM 1259 O LYS B 15 11.600 22.530 0.896 1.00 51.44 O ATOM 1260 CB LYS B 15 12.873 19.672 -0.118 1.00 42.25 C ATOM 1261 CG LYS B 15 11.898 18.473 0.077 1.00 10.33 C ATOM 1262 CD LYS B 15 11.241 18.000 -1.242 1.00 31.41 C ATOM 1263 CE LYS B 15 10.278 19.054 -1.822 1.00 65.11 C ATOM 1264 NZ LYS B 15 9.591 18.573 -3.047 1.00 34.41 N ATOM 0 H LYS B 15 13.261 18.800 2.229 1.00 21.11 H new ATOM 0 HA LYS B 15 13.852 21.306 0.943 1.00 34.44 H new ATOM 0 HB2 LYS B 15 12.517 20.277 -0.951 1.00 42.25 H new ATOM 0 HB3 LYS B 15 13.851 19.282 -0.402 1.00 42.25 H new ATOM 0 HG2 LYS B 15 12.441 17.640 0.524 1.00 10.33 H new ATOM 0 HG3 LYS B 15 11.117 18.759 0.782 1.00 10.33 H new ATOM 0 HD2 LYS B 15 12.018 17.778 -1.974 1.00 31.41 H new ATOM 0 HD3 LYS B 15 10.697 17.072 -1.063 1.00 31.41 H new ATOM 0 HE2 LYS B 15 9.534 19.317 -1.070 1.00 65.11 H new ATOM 0 HE3 LYS B 15 10.833 19.963 -2.052 1.00 65.11 H new ATOM 0 HZ1 LYS B 15 8.954 19.315 -3.402 1.00 34.41 H new ATOM 0 HZ2 LYS B 15 10.298 18.347 -3.775 1.00 34.41 H new ATOM 0 HZ3 LYS B 15 9.039 17.720 -2.823 1.00 34.41 H new ATOM 1278 N GLY B 16 10.782 20.776 2.081 1.00 40.23 N ATOM 1279 CA GLY B 16 9.462 21.371 2.349 1.00 21.33 C ATOM 1280 C GLY B 16 8.315 20.355 2.199 1.00 1.43 C ATOM 1281 O GLY B 16 8.575 19.149 2.149 1.00 63.33 O ATOM 0 H GLY B 16 10.904 19.849 2.489 1.00 40.23 H new ATOM 0 HA2 GLY B 16 9.450 21.781 3.359 1.00 21.33 H new ATOM 0 HA3 GLY B 16 9.297 22.204 1.665 1.00 21.33 H new ATOM 1285 N PRO B 17 7.024 20.818 2.128 1.00 23.21 N ATOM 1286 CA PRO B 17 5.851 19.917 2.005 1.00 61.02 C ATOM 1287 C PRO B 17 5.579 19.439 0.544 1.00 21.41 C ATOM 1288 O PRO B 17 5.165 20.227 -0.325 1.00 73.23 O ATOM 1289 CB PRO B 17 4.703 20.805 2.557 1.00 14.00 C ATOM 1290 CG PRO B 17 5.088 22.208 2.180 1.00 1.22 C ATOM 1291 CD PRO B 17 6.613 22.253 2.175 1.00 51.21 C ATOM 0 HA PRO B 17 5.984 18.977 2.541 1.00 61.02 H new ATOM 0 HB2 PRO B 17 3.743 20.527 2.121 1.00 14.00 H new ATOM 0 HB3 PRO B 17 4.605 20.698 3.637 1.00 14.00 H new ATOM 0 HG2 PRO B 17 4.689 22.470 1.200 1.00 1.22 H new ATOM 0 HG3 PRO B 17 4.681 22.926 2.892 1.00 1.22 H new ATOM 0 HD2 PRO B 17 6.992 22.804 1.314 1.00 51.21 H new ATOM 0 HD3 PRO B 17 6.999 22.749 3.066 1.00 51.21 H new ATOM 1299 N ALA B 18 5.845 18.146 0.270 1.00 45.35 N ATOM 1300 CA ALA B 18 5.473 17.503 -1.023 1.00 60.44 C ATOM 1301 C ALA B 18 3.956 17.152 -1.077 1.00 51.31 C ATOM 1302 O ALA B 18 3.409 16.895 -2.156 1.00 30.24 O ATOM 1303 CB ALA B 18 6.336 16.250 -1.271 1.00 51.20 C ATOM 0 H ALA B 18 6.316 17.519 0.922 1.00 45.35 H new ATOM 0 HA ALA B 18 5.668 18.222 -1.819 1.00 60.44 H new ATOM 0 HB1 ALA B 18 6.051 15.794 -2.219 1.00 51.20 H new ATOM 0 HB2 ALA B 18 7.388 16.534 -1.307 1.00 51.20 H new ATOM 0 HB3 ALA B 18 6.180 15.535 -0.463 1.00 51.20 H new ATOM 1309 N ALA B 19 3.293 17.145 0.101 1.00 25.32 N ATOM 1310 CA ALA B 19 1.828 16.914 0.220 1.00 5.03 C ATOM 1311 C ALA B 19 1.026 18.224 -0.002 1.00 32.31 C ATOM 1312 O ALA B 19 1.551 19.330 0.194 1.00 11.34 O ATOM 1313 CB ALA B 19 1.504 16.307 1.598 1.00 43.45 C ATOM 0 H ALA B 19 3.754 17.299 0.998 1.00 25.32 H new ATOM 0 HA ALA B 19 1.529 16.212 -0.559 1.00 5.03 H new ATOM 0 HB1 ALA B 19 0.430 16.140 1.679 1.00 43.45 H new ATOM 0 HB2 ALA B 19 2.028 15.358 1.710 1.00 43.45 H new ATOM 0 HB3 ALA B 19 1.825 16.993 2.382 1.00 43.45 H new ATOM 1319 N GLU B 20 -0.258 18.077 -0.386 1.00 72.30 N ATOM 1320 CA GLU B 20 -1.167 19.218 -0.687 1.00 64.00 C ATOM 1321 C GLU B 20 -2.629 18.900 -0.246 1.00 20.22 C ATOM 1322 O GLU B 20 -2.883 17.850 0.353 1.00 12.34 O ATOM 1323 CB GLU B 20 -1.097 19.567 -2.204 1.00 64.41 C ATOM 1324 CG GLU B 20 -1.600 18.455 -3.149 1.00 54.32 C ATOM 1325 CD GLU B 20 -1.466 18.830 -4.633 1.00 74.44 C ATOM 1326 OE1 GLU B 20 -2.275 19.642 -5.128 1.00 54.25 O ATOM 1327 OE2 GLU B 20 -0.533 18.334 -5.305 1.00 34.03 O ATOM 0 H GLU B 20 -0.701 17.165 -0.498 1.00 72.30 H new ATOM 0 HA GLU B 20 -0.838 20.087 -0.117 1.00 64.00 H new ATOM 0 HB2 GLU B 20 -1.683 20.468 -2.382 1.00 64.41 H new ATOM 0 HB3 GLU B 20 -0.064 19.803 -2.461 1.00 64.41 H new ATOM 0 HG2 GLU B 20 -1.039 17.540 -2.958 1.00 54.32 H new ATOM 0 HG3 GLU B 20 -2.645 18.240 -2.926 1.00 54.32 H new ATOM 1334 N GLU B 21 -3.580 19.811 -0.554 1.00 70.12 N ATOM 1335 CA GLU B 21 -5.000 19.703 -0.100 1.00 22.45 C ATOM 1336 C GLU B 21 -6.002 19.867 -1.288 1.00 41.12 C ATOM 1337 O GLU B 21 -5.661 20.491 -2.304 1.00 10.32 O ATOM 1338 CB GLU B 21 -5.270 20.786 0.991 1.00 50.33 C ATOM 1339 CG GLU B 21 -5.174 22.249 0.483 1.00 63.33 C ATOM 1340 CD GLU B 21 -5.312 23.302 1.598 1.00 14.53 C ATOM 1341 OE1 GLU B 21 -6.454 23.616 1.997 1.00 22.23 O ATOM 1342 OE2 GLU B 21 -4.278 23.796 2.095 1.00 45.23 O ATOM 0 H GLU B 21 -3.394 20.639 -1.120 1.00 70.12 H new ATOM 0 HA GLU B 21 -5.155 18.708 0.317 1.00 22.45 H new ATOM 0 HB2 GLU B 21 -6.264 20.624 1.408 1.00 50.33 H new ATOM 0 HB3 GLU B 21 -4.557 20.650 1.804 1.00 50.33 H new ATOM 0 HG2 GLU B 21 -4.217 22.388 -0.019 1.00 63.33 H new ATOM 0 HG3 GLU B 21 -5.952 22.417 -0.262 1.00 63.33 H new ATOM 1349 N PRO B 22 -7.253 19.283 -1.197 1.00 45.24 N ATOM 1350 CA PRO B 22 -8.342 19.555 -2.183 1.00 2.42 C ATOM 1351 C PRO B 22 -9.020 20.943 -1.976 1.00 20.21 C ATOM 1352 O PRO B 22 -8.596 21.729 -1.118 1.00 23.51 O ATOM 1353 CB PRO B 22 -9.335 18.390 -1.922 1.00 52.23 C ATOM 1354 CG PRO B 22 -9.163 18.073 -0.469 1.00 44.34 C ATOM 1355 CD PRO B 22 -7.684 18.274 -0.180 1.00 22.53 C ATOM 0 HA PRO B 22 -7.973 19.599 -3.208 1.00 2.42 H new ATOM 0 HB2 PRO B 22 -10.360 18.684 -2.146 1.00 52.23 H new ATOM 0 HB3 PRO B 22 -9.107 17.526 -2.547 1.00 52.23 H new ATOM 0 HG2 PRO B 22 -9.776 18.728 0.150 1.00 44.34 H new ATOM 0 HG3 PRO B 22 -9.469 17.050 -0.252 1.00 44.34 H new ATOM 0 HD2 PRO B 22 -7.521 18.635 0.835 1.00 22.53 H new ATOM 0 HD3 PRO B 22 -7.127 17.342 -0.280 1.00 22.53 H new ATOM 1363 N LEU B 23 -10.077 21.226 -2.775 1.00 23.21 N ATOM 1364 CA LEU B 23 -10.860 22.489 -2.675 1.00 43.54 C ATOM 1365 C LEU B 23 -11.531 22.653 -1.285 1.00 42.30 C ATOM 1366 O LEU B 23 -11.512 23.741 -0.705 1.00 61.44 O ATOM 1367 CB LEU B 23 -11.932 22.547 -3.800 1.00 73.13 C ATOM 1368 CG LEU B 23 -11.396 22.538 -5.273 1.00 54.11 C ATOM 1369 CD1 LEU B 23 -12.557 22.604 -6.297 1.00 12.43 C ATOM 1370 CD2 LEU B 23 -10.374 23.680 -5.506 1.00 15.31 C ATOM 0 H LEU B 23 -10.411 20.594 -3.502 1.00 23.21 H new ATOM 0 HA LEU B 23 -10.161 23.316 -2.798 1.00 43.54 H new ATOM 0 HB2 LEU B 23 -12.604 21.698 -3.676 1.00 73.13 H new ATOM 0 HB3 LEU B 23 -12.528 23.449 -3.658 1.00 73.13 H new ATOM 0 HG LEU B 23 -10.876 21.593 -5.428 1.00 54.11 H new ATOM 0 HD11 LEU B 23 -12.151 22.596 -7.308 1.00 12.43 H new ATOM 0 HD12 LEU B 23 -13.211 21.742 -6.162 1.00 12.43 H new ATOM 0 HD13 LEU B 23 -13.127 23.520 -6.142 1.00 12.43 H new ATOM 0 HD21 LEU B 23 -10.021 23.647 -6.537 1.00 15.31 H new ATOM 0 HD22 LEU B 23 -10.853 24.641 -5.317 1.00 15.31 H new ATOM 0 HD23 LEU B 23 -9.529 23.556 -4.829 1.00 15.31 H new ATOM 1382 N SER B 24 -12.136 21.563 -0.775 1.00 14.32 N ATOM 1383 CA SER B 24 -12.736 21.532 0.586 1.00 60.31 C ATOM 1384 C SER B 24 -12.521 20.137 1.220 1.00 63.35 C ATOM 1385 O SER B 24 -11.499 19.900 1.872 1.00 72.11 O ATOM 1386 CB SER B 24 -14.247 21.919 0.549 1.00 73.13 C ATOM 1387 OG SER B 24 -14.450 23.192 -0.046 1.00 31.44 O ATOM 0 H SER B 24 -12.226 20.684 -1.284 1.00 14.32 H new ATOM 0 HA SER B 24 -12.236 22.275 1.207 1.00 60.31 H new ATOM 0 HB2 SER B 24 -14.802 21.164 -0.008 1.00 73.13 H new ATOM 0 HB3 SER B 24 -14.646 21.924 1.563 1.00 73.13 H new ATOM 0 HG SER B 24 -15.408 23.401 -0.054 1.00 31.44 H new ATOM 1393 N LEU B 25 -13.460 19.196 0.973 1.00 44.24 N ATOM 1394 CA LEU B 25 -13.382 17.800 1.463 1.00 31.40 C ATOM 1395 C LEU B 25 -13.787 16.821 0.341 1.00 21.21 C ATOM 1396 O LEU B 25 -14.789 17.035 -0.350 1.00 65.33 O ATOM 1397 CB LEU B 25 -14.285 17.579 2.722 1.00 23.14 C ATOM 1398 CG LEU B 25 -13.797 18.243 4.056 1.00 41.23 C ATOM 1399 CD1 LEU B 25 -14.812 18.020 5.205 1.00 31.03 C ATOM 1400 CD2 LEU B 25 -12.377 17.745 4.455 1.00 53.03 C ATOM 0 H LEU B 25 -14.299 19.385 0.424 1.00 44.24 H new ATOM 0 HA LEU B 25 -12.350 17.607 1.756 1.00 31.40 H new ATOM 0 HB2 LEU B 25 -15.282 17.957 2.497 1.00 23.14 H new ATOM 0 HB3 LEU B 25 -14.381 16.506 2.890 1.00 23.14 H new ATOM 0 HG LEU B 25 -13.731 19.316 3.878 1.00 41.23 H new ATOM 0 HD11 LEU B 25 -14.442 18.493 6.114 1.00 31.03 H new ATOM 0 HD12 LEU B 25 -15.772 18.458 4.933 1.00 31.03 H new ATOM 0 HD13 LEU B 25 -14.937 16.951 5.378 1.00 31.03 H new ATOM 0 HD21 LEU B 25 -12.071 18.226 5.384 1.00 53.03 H new ATOM 0 HD22 LEU B 25 -12.396 16.664 4.595 1.00 53.03 H new ATOM 0 HD23 LEU B 25 -11.668 17.996 3.666 1.00 53.03 H new ATOM 1412 N LEU B 26 -12.976 15.770 0.182 1.00 25.13 N ATOM 1413 CA LEU B 26 -13.216 14.643 -0.748 1.00 65.31 C ATOM 1414 C LEU B 26 -12.174 13.579 -0.391 1.00 3.33 C ATOM 1415 O LEU B 26 -12.519 12.462 0.008 1.00 20.22 O ATOM 1416 CB LEU B 26 -13.099 15.080 -2.259 1.00 33.13 C ATOM 1417 CG LEU B 26 -13.684 14.100 -3.357 1.00 21.53 C ATOM 1418 CD1 LEU B 26 -13.788 14.804 -4.735 1.00 62.12 C ATOM 1419 CD2 LEU B 26 -12.882 12.771 -3.499 1.00 11.53 C ATOM 0 H LEU B 26 -12.108 15.670 0.708 1.00 25.13 H new ATOM 0 HA LEU B 26 -14.232 14.262 -0.641 1.00 65.31 H new ATOM 0 HB2 LEU B 26 -13.598 16.043 -2.369 1.00 33.13 H new ATOM 0 HB3 LEU B 26 -12.044 15.240 -2.481 1.00 33.13 H new ATOM 0 HG LEU B 26 -14.681 13.831 -3.008 1.00 21.53 H new ATOM 0 HD11 LEU B 26 -14.193 14.108 -5.470 1.00 62.12 H new ATOM 0 HD12 LEU B 26 -14.447 15.669 -4.653 1.00 62.12 H new ATOM 0 HD13 LEU B 26 -12.798 15.131 -5.052 1.00 62.12 H new ATOM 0 HD21 LEU B 26 -13.340 12.150 -4.269 1.00 11.53 H new ATOM 0 HD22 LEU B 26 -11.853 12.995 -3.779 1.00 11.53 H new ATOM 0 HD23 LEU B 26 -12.891 12.237 -2.549 1.00 11.53 H new ATOM 1431 N ASP B 27 -10.895 13.986 -0.519 1.00 62.14 N ATOM 1432 CA ASP B 27 -9.727 13.174 -0.159 1.00 55.32 C ATOM 1433 C ASP B 27 -9.696 11.832 -0.922 1.00 21.33 C ATOM 1434 O ASP B 27 -9.973 10.762 -0.370 1.00 63.12 O ATOM 1435 CB ASP B 27 -9.653 12.999 1.383 1.00 61.34 C ATOM 1436 CG ASP B 27 -9.441 14.339 2.112 1.00 35.34 C ATOM 1437 OD1 ASP B 27 -10.376 15.179 2.122 1.00 44.55 O ATOM 1438 OD2 ASP B 27 -8.337 14.574 2.642 1.00 12.34 O ATOM 0 H ASP B 27 -10.646 14.906 -0.883 1.00 62.14 H new ATOM 0 HA ASP B 27 -8.827 13.703 -0.472 1.00 55.32 H new ATOM 0 HB2 ASP B 27 -10.573 12.536 1.739 1.00 61.34 H new ATOM 0 HB3 ASP B 27 -8.837 12.320 1.631 1.00 61.34 H new ATOM 1443 N ASP B 28 -9.390 11.937 -2.225 1.00 72.42 N ATOM 1444 CA ASP B 28 -9.232 10.783 -3.130 1.00 15.13 C ATOM 1445 C ASP B 28 -8.072 9.863 -2.657 1.00 21.32 C ATOM 1446 O ASP B 28 -8.087 8.647 -2.891 1.00 33.24 O ATOM 1447 CB ASP B 28 -9.005 11.313 -4.573 1.00 73.33 C ATOM 1448 CG ASP B 28 -8.981 10.222 -5.656 1.00 22.40 C ATOM 1449 OD1 ASP B 28 -9.835 9.310 -5.615 1.00 23.43 O ATOM 1450 OD2 ASP B 28 -8.142 10.297 -6.578 1.00 4.23 O ATOM 0 H ASP B 28 -9.243 12.835 -2.687 1.00 72.42 H new ATOM 0 HA ASP B 28 -10.135 10.172 -3.118 1.00 15.13 H new ATOM 0 HB2 ASP B 28 -9.793 12.028 -4.812 1.00 73.33 H new ATOM 0 HB3 ASP B 28 -8.061 11.857 -4.602 1.00 73.33 H new ATOM 1455 N MET B 29 -7.089 10.474 -1.963 1.00 70.34 N ATOM 1456 CA MET B 29 -6.005 9.749 -1.269 1.00 51.23 C ATOM 1457 C MET B 29 -6.583 8.835 -0.161 1.00 61.33 C ATOM 1458 O MET B 29 -6.368 7.623 -0.170 1.00 1.25 O ATOM 1459 CB MET B 29 -5.004 10.769 -0.644 1.00 62.51 C ATOM 1460 CG MET B 29 -4.344 11.760 -1.644 1.00 51.11 C ATOM 1461 SD MET B 29 -2.540 11.631 -1.681 1.00 44.40 S ATOM 1462 CE MET B 29 -2.329 9.896 -2.068 1.00 63.54 C ATOM 0 H MET B 29 -7.025 11.488 -1.868 1.00 70.34 H new ATOM 0 HA MET B 29 -5.482 9.126 -1.995 1.00 51.23 H new ATOM 0 HB2 MET B 29 -5.528 11.345 0.118 1.00 62.51 H new ATOM 0 HB3 MET B 29 -4.215 10.213 -0.137 1.00 62.51 H new ATOM 0 HG2 MET B 29 -4.737 11.574 -2.644 1.00 51.11 H new ATOM 0 HG3 MET B 29 -4.624 12.779 -1.376 1.00 51.11 H new ATOM 0 HE1 MET B 29 -1.272 9.685 -2.230 1.00 63.54 H new ATOM 0 HE2 MET B 29 -2.697 9.291 -1.239 1.00 63.54 H new ATOM 0 HE3 MET B 29 -2.890 9.654 -2.971 1.00 63.54 H new ATOM 1472 N ASN B 30 -7.367 9.451 0.762 1.00 35.44 N ATOM 1473 CA ASN B 30 -7.977 8.760 1.930 1.00 40.13 C ATOM 1474 C ASN B 30 -9.007 7.683 1.493 1.00 53.23 C ATOM 1475 O ASN B 30 -9.234 6.711 2.220 1.00 21.53 O ATOM 1476 CB ASN B 30 -8.609 9.798 2.899 1.00 73.41 C ATOM 1477 CG ASN B 30 -9.261 9.155 4.124 1.00 51.34 C ATOM 1478 OD1 ASN B 30 -10.465 8.931 4.156 1.00 75.34 O ATOM 1479 ND2 ASN B 30 -8.469 8.810 5.117 1.00 3.41 N ATOM 0 H ASN B 30 -7.595 10.444 0.717 1.00 35.44 H new ATOM 0 HA ASN B 30 -7.185 8.233 2.462 1.00 40.13 H new ATOM 0 HB2 ASN B 30 -7.838 10.495 3.229 1.00 73.41 H new ATOM 0 HB3 ASN B 30 -9.356 10.381 2.361 1.00 73.41 H new ATOM 0 HD21 ASN B 30 -8.854 8.344 5.939 1.00 3.41 H new ATOM 0 HD22 ASN B 30 -7.470 9.008 5.065 1.00 3.41 H new ATOM 1486 N HIS B 31 -9.621 7.887 0.311 1.00 62.14 N ATOM 1487 CA HIS B 31 -10.512 6.895 -0.339 1.00 24.34 C ATOM 1488 C HIS B 31 -9.792 5.524 -0.485 1.00 71.10 C ATOM 1489 O HIS B 31 -10.273 4.488 -0.007 1.00 1.11 O ATOM 1490 CB HIS B 31 -10.937 7.441 -1.739 1.00 43.53 C ATOM 1491 CG HIS B 31 -11.861 6.539 -2.530 1.00 43.41 C ATOM 1492 ND1 HIS B 31 -11.425 5.348 -3.062 1.00 63.10 N ATOM 1493 CD2 HIS B 31 -13.179 6.683 -2.817 1.00 62.05 C ATOM 1494 CE1 HIS B 31 -12.472 4.798 -3.639 1.00 33.42 C ATOM 1495 NE2 HIS B 31 -13.557 5.566 -3.518 1.00 73.34 N ATOM 0 H HIS B 31 -9.515 8.748 -0.226 1.00 62.14 H new ATOM 0 HA HIS B 31 -11.397 6.742 0.279 1.00 24.34 H new ATOM 0 HB2 HIS B 31 -11.427 8.405 -1.602 1.00 43.53 H new ATOM 0 HB3 HIS B 31 -10.038 7.621 -2.329 1.00 43.53 H new ATOM 0 HD2 HIS B 31 -13.810 7.517 -2.546 1.00 62.05 H new ATOM 0 HE1 HIS B 31 -12.455 3.845 -4.147 1.00 33.42 H new ATOM 0 HE2 HIS B 31 -14.489 5.361 -3.878 1.00 73.34 H new ATOM 1503 N CYS B 32 -8.614 5.560 -1.129 1.00 74.34 N ATOM 1504 CA CYS B 32 -7.774 4.366 -1.364 1.00 51.31 C ATOM 1505 C CYS B 32 -7.059 3.891 -0.074 1.00 20.35 C ATOM 1506 O CYS B 32 -6.827 2.694 0.095 1.00 15.03 O ATOM 1507 CB CYS B 32 -6.762 4.663 -2.483 1.00 34.25 C ATOM 1508 SG CYS B 32 -7.545 5.094 -4.054 1.00 61.41 S ATOM 0 H CYS B 32 -8.213 6.420 -1.504 1.00 74.34 H new ATOM 0 HA CYS B 32 -8.424 3.548 -1.675 1.00 51.31 H new ATOM 0 HB2 CYS B 32 -6.114 5.482 -2.170 1.00 34.25 H new ATOM 0 HB3 CYS B 32 -6.125 3.791 -2.629 1.00 34.25 H new ATOM 0 HG CYS B 32 -7.919 6.339 -4.025 1.00 61.41 H new ATOM 1514 N TYR B 33 -6.722 4.844 0.824 1.00 73.24 N ATOM 1515 CA TYR B 33 -6.110 4.549 2.146 1.00 50.12 C ATOM 1516 C TYR B 33 -7.031 3.683 3.035 1.00 13.14 C ATOM 1517 O TYR B 33 -6.555 2.772 3.718 1.00 31.43 O ATOM 1518 CB TYR B 33 -5.739 5.863 2.893 1.00 40.40 C ATOM 1519 CG TYR B 33 -4.369 6.449 2.520 1.00 71.01 C ATOM 1520 CD1 TYR B 33 -3.230 5.664 2.633 1.00 72.23 C ATOM 1521 CD2 TYR B 33 -4.203 7.775 2.118 1.00 73.34 C ATOM 1522 CE1 TYR B 33 -1.988 6.163 2.361 1.00 63.00 C ATOM 1523 CE2 TYR B 33 -2.954 8.278 1.825 1.00 54.22 C ATOM 1524 CZ TYR B 33 -1.848 7.473 1.956 1.00 53.24 C ATOM 1525 OH TYR B 33 -0.597 7.987 1.701 1.00 13.22 O ATOM 0 H TYR B 33 -6.865 5.840 0.656 1.00 73.24 H new ATOM 0 HA TYR B 33 -5.202 3.979 1.950 1.00 50.12 H new ATOM 0 HB2 TYR B 33 -6.506 6.610 2.689 1.00 40.40 H new ATOM 0 HB3 TYR B 33 -5.757 5.672 3.966 1.00 40.40 H new ATOM 0 HD1 TYR B 33 -3.328 4.634 2.943 1.00 72.23 H new ATOM 0 HD2 TYR B 33 -5.067 8.417 2.035 1.00 73.34 H new ATOM 0 HE1 TYR B 33 -1.117 5.532 2.463 1.00 63.00 H new ATOM 0 HE2 TYR B 33 -2.845 9.300 1.494 1.00 54.22 H new ATOM 0 HH TYR B 33 -0.644 8.966 1.677 1.00 13.22 H new ATOM 1535 N SER B 34 -8.336 3.998 3.035 1.00 54.42 N ATOM 1536 CA SER B 34 -9.358 3.210 3.757 1.00 34.42 C ATOM 1537 C SER B 34 -9.430 1.779 3.184 1.00 44.33 C ATOM 1538 O SER B 34 -9.423 0.808 3.927 1.00 3.52 O ATOM 1539 CB SER B 34 -10.748 3.887 3.664 1.00 73.14 C ATOM 1540 OG SER B 34 -11.758 3.148 4.352 1.00 62.23 O ATOM 0 H SER B 34 -8.716 4.803 2.537 1.00 54.42 H new ATOM 0 HA SER B 34 -9.069 3.161 4.807 1.00 34.42 H new ATOM 0 HB2 SER B 34 -10.689 4.892 4.081 1.00 73.14 H new ATOM 0 HB3 SER B 34 -11.029 3.993 2.616 1.00 73.14 H new ATOM 0 HG SER B 34 -12.617 3.612 4.268 1.00 62.23 H new ATOM 1546 N ARG B 35 -9.448 1.688 1.839 1.00 71.02 N ATOM 1547 CA ARG B 35 -9.506 0.408 1.091 1.00 60.51 C ATOM 1548 C ARG B 35 -8.237 -0.465 1.344 1.00 13.32 C ATOM 1549 O ARG B 35 -8.315 -1.698 1.326 1.00 31.51 O ATOM 1550 CB ARG B 35 -9.719 0.724 -0.429 1.00 71.12 C ATOM 1551 CG ARG B 35 -10.531 -0.326 -1.234 1.00 62.45 C ATOM 1552 CD ARG B 35 -9.751 -1.603 -1.610 1.00 53.53 C ATOM 1553 NE ARG B 35 -10.360 -2.294 -2.768 1.00 14.23 N ATOM 1554 CZ ARG B 35 -10.674 -3.567 -2.840 1.00 51.31 C ATOM 1555 NH1 ARG B 35 -10.572 -4.346 -1.824 1.00 24.54 N ATOM 1556 NH2 ARG B 35 -11.121 -4.042 -3.951 1.00 32.32 N ATOM 0 H ARG B 35 -9.423 2.507 1.232 1.00 71.02 H new ATOM 0 HA ARG B 35 -10.348 -0.186 1.448 1.00 60.51 H new ATOM 0 HB2 ARG B 35 -10.224 1.687 -0.513 1.00 71.12 H new ATOM 0 HB3 ARG B 35 -8.741 0.835 -0.897 1.00 71.12 H new ATOM 0 HG2 ARG B 35 -11.407 -0.611 -0.651 1.00 62.45 H new ATOM 0 HG3 ARG B 35 -10.896 0.142 -2.149 1.00 62.45 H new ATOM 0 HD2 ARG B 35 -8.718 -1.344 -1.843 1.00 53.53 H new ATOM 0 HD3 ARG B 35 -9.725 -2.279 -0.755 1.00 53.53 H new ATOM 0 HE ARG B 35 -10.555 -1.725 -3.592 1.00 14.23 H new ATOM 0 HH11 ARG B 35 -10.240 -3.980 -0.932 1.00 24.54 H new ATOM 0 HH12 ARG B 35 -10.823 -5.331 -1.909 1.00 24.54 H new ATOM 0 HH21 ARG B 35 -11.227 -3.431 -4.761 1.00 32.32 H new ATOM 0 HH22 ARG B 35 -11.369 -5.029 -4.021 1.00 32.32 H new ATOM 1570 N LEU B 36 -7.082 0.194 1.590 1.00 43.34 N ATOM 1571 CA LEU B 36 -5.850 -0.493 2.044 1.00 73.54 C ATOM 1572 C LEU B 36 -6.083 -1.146 3.424 1.00 31.34 C ATOM 1573 O LEU B 36 -5.844 -2.338 3.588 1.00 71.32 O ATOM 1574 CB LEU B 36 -4.639 0.485 2.107 1.00 41.13 C ATOM 1575 CG LEU B 36 -4.098 1.006 0.737 1.00 54.44 C ATOM 1576 CD1 LEU B 36 -2.929 2.002 0.929 1.00 13.14 C ATOM 1577 CD2 LEU B 36 -3.685 -0.167 -0.187 1.00 65.31 C ATOM 0 H LEU B 36 -6.977 1.203 1.482 1.00 43.34 H new ATOM 0 HA LEU B 36 -5.612 -1.269 1.316 1.00 73.54 H new ATOM 0 HB2 LEU B 36 -4.925 1.346 2.711 1.00 41.13 H new ATOM 0 HB3 LEU B 36 -3.823 -0.014 2.630 1.00 41.13 H new ATOM 0 HG LEU B 36 -4.911 1.544 0.250 1.00 54.44 H new ATOM 0 HD11 LEU B 36 -2.578 2.343 -0.045 1.00 13.14 H new ATOM 0 HD12 LEU B 36 -3.272 2.857 1.511 1.00 13.14 H new ATOM 0 HD13 LEU B 36 -2.113 1.508 1.456 1.00 13.14 H new ATOM 0 HD21 LEU B 36 -3.313 0.228 -1.132 1.00 65.31 H new ATOM 0 HD22 LEU B 36 -2.902 -0.752 0.295 1.00 65.31 H new ATOM 0 HD23 LEU B 36 -4.549 -0.804 -0.375 1.00 65.31 H new ATOM 1589 N ARG B 37 -6.620 -0.353 4.383 1.00 51.32 N ATOM 1590 CA ARG B 37 -6.936 -0.824 5.761 1.00 40.31 C ATOM 1591 C ARG B 37 -7.876 -2.062 5.768 1.00 52.24 C ATOM 1592 O ARG B 37 -7.851 -2.858 6.713 1.00 31.11 O ATOM 1593 CB ARG B 37 -7.590 0.300 6.601 1.00 42.50 C ATOM 1594 CG ARG B 37 -6.732 1.576 6.795 1.00 75.13 C ATOM 1595 CD ARG B 37 -7.442 2.593 7.705 1.00 62.32 C ATOM 1596 NE ARG B 37 -6.756 3.897 7.798 1.00 54.50 N ATOM 1597 CZ ARG B 37 -6.343 4.468 8.914 1.00 71.32 C ATOM 1598 NH1 ARG B 37 -6.397 3.847 10.055 1.00 65.45 N ATOM 1599 NH2 ARG B 37 -5.855 5.669 8.881 1.00 3.41 N ATOM 0 H ARG B 37 -6.847 0.629 4.227 1.00 51.32 H new ATOM 0 HA ARG B 37 -5.982 -1.112 6.203 1.00 40.31 H new ATOM 0 HB2 ARG B 37 -8.529 0.584 6.126 1.00 42.50 H new ATOM 0 HB3 ARG B 37 -7.838 -0.102 7.583 1.00 42.50 H new ATOM 0 HG2 ARG B 37 -5.769 1.307 7.229 1.00 75.13 H new ATOM 0 HG3 ARG B 37 -6.529 2.031 5.826 1.00 75.13 H new ATOM 0 HD2 ARG B 37 -8.454 2.752 7.334 1.00 62.32 H new ATOM 0 HD3 ARG B 37 -7.532 2.169 8.705 1.00 62.32 H new ATOM 0 HE ARG B 37 -6.587 4.399 6.926 1.00 54.50 H new ATOM 0 HH11 ARG B 37 -6.765 2.897 10.102 1.00 65.45 H new ATOM 0 HH12 ARG B 37 -6.072 4.310 10.904 1.00 65.45 H new ATOM 0 HH21 ARG B 37 -5.791 6.169 7.994 1.00 3.41 H new ATOM 0 HH22 ARG B 37 -5.535 6.113 9.742 1.00 3.41 H new ATOM 1613 N GLU B 38 -8.689 -2.216 4.698 1.00 74.43 N ATOM 1614 CA GLU B 38 -9.640 -3.341 4.572 1.00 20.35 C ATOM 1615 C GLU B 38 -8.890 -4.645 4.184 1.00 4.44 C ATOM 1616 O GLU B 38 -9.211 -5.738 4.667 1.00 51.12 O ATOM 1617 CB GLU B 38 -10.736 -3.028 3.505 1.00 13.31 C ATOM 1618 CG GLU B 38 -11.416 -1.643 3.617 1.00 72.04 C ATOM 1619 CD GLU B 38 -11.974 -1.315 5.013 1.00 10.02 C ATOM 1620 OE1 GLU B 38 -13.007 -1.900 5.401 1.00 1.03 O ATOM 1621 OE2 GLU B 38 -11.393 -0.465 5.726 1.00 30.22 O ATOM 0 H GLU B 38 -8.704 -1.572 3.907 1.00 74.43 H new ATOM 0 HA GLU B 38 -10.124 -3.480 5.539 1.00 20.35 H new ATOM 0 HB2 GLU B 38 -10.286 -3.111 2.516 1.00 13.31 H new ATOM 0 HB3 GLU B 38 -11.507 -3.796 3.569 1.00 13.31 H new ATOM 0 HG2 GLU B 38 -10.694 -0.875 3.339 1.00 72.04 H new ATOM 0 HG3 GLU B 38 -12.230 -1.593 2.894 1.00 72.04 H new ATOM 1628 N LEU B 39 -7.881 -4.492 3.302 1.00 74.23 N ATOM 1629 CA LEU B 39 -7.099 -5.621 2.737 1.00 43.01 C ATOM 1630 C LEU B 39 -5.887 -6.023 3.616 1.00 11.34 C ATOM 1631 O LEU B 39 -5.318 -7.103 3.420 1.00 33.15 O ATOM 1632 CB LEU B 39 -6.615 -5.252 1.304 1.00 22.24 C ATOM 1633 CG LEU B 39 -7.737 -5.031 0.235 1.00 50.03 C ATOM 1634 CD1 LEU B 39 -7.138 -4.601 -1.127 1.00 33.21 C ATOM 1635 CD2 LEU B 39 -8.627 -6.298 0.082 1.00 34.12 C ATOM 0 H LEU B 39 -7.581 -3.580 2.958 1.00 74.23 H new ATOM 0 HA LEU B 39 -7.762 -6.485 2.705 1.00 43.01 H new ATOM 0 HB2 LEU B 39 -6.017 -4.343 1.367 1.00 22.24 H new ATOM 0 HB3 LEU B 39 -5.955 -6.044 0.950 1.00 22.24 H new ATOM 0 HG LEU B 39 -8.373 -4.219 0.588 1.00 50.03 H new ATOM 0 HD11 LEU B 39 -7.942 -4.455 -1.848 1.00 33.21 H new ATOM 0 HD12 LEU B 39 -6.587 -3.668 -1.004 1.00 33.21 H new ATOM 0 HD13 LEU B 39 -6.462 -5.376 -1.488 1.00 33.21 H new ATOM 0 HD21 LEU B 39 -9.397 -6.114 -0.667 1.00 34.12 H new ATOM 0 HD22 LEU B 39 -8.010 -7.140 -0.231 1.00 34.12 H new ATOM 0 HD23 LEU B 39 -9.098 -6.529 1.037 1.00 34.12 H new ATOM 1647 N VAL B 40 -5.484 -5.146 4.558 1.00 72.43 N ATOM 1648 CA VAL B 40 -4.320 -5.396 5.457 1.00 22.34 C ATOM 1649 C VAL B 40 -4.776 -6.024 6.809 1.00 5.11 C ATOM 1650 O VAL B 40 -5.373 -5.335 7.641 1.00 14.34 O ATOM 1651 CB VAL B 40 -3.491 -4.071 5.727 1.00 74.35 C ATOM 1652 CG1 VAL B 40 -2.258 -4.325 6.639 1.00 52.45 C ATOM 1653 CG2 VAL B 40 -3.058 -3.415 4.395 1.00 5.33 C ATOM 0 H VAL B 40 -5.945 -4.251 4.723 1.00 72.43 H new ATOM 0 HA VAL B 40 -3.670 -6.105 4.943 1.00 22.34 H new ATOM 0 HB VAL B 40 -4.149 -3.384 6.259 1.00 74.35 H new ATOM 0 HG11 VAL B 40 -1.722 -3.389 6.795 1.00 52.45 H new ATOM 0 HG12 VAL B 40 -2.591 -4.717 7.600 1.00 52.45 H new ATOM 0 HG13 VAL B 40 -1.595 -5.047 6.162 1.00 52.45 H new ATOM 0 HG21 VAL B 40 -2.491 -2.508 4.604 1.00 5.33 H new ATOM 0 HG22 VAL B 40 -2.436 -4.111 3.832 1.00 5.33 H new ATOM 0 HG23 VAL B 40 -3.942 -3.163 3.809 1.00 5.33 H new ATOM 1663 N PRO B 41 -4.501 -7.355 7.057 1.00 24.12 N ATOM 1664 CA PRO B 41 -4.767 -8.018 8.361 1.00 2.44 C ATOM 1665 C PRO B 41 -3.669 -7.739 9.427 1.00 50.34 C ATOM 1666 O PRO B 41 -3.679 -8.336 10.511 1.00 42.04 O ATOM 1667 CB PRO B 41 -4.834 -9.538 7.994 1.00 54.44 C ATOM 1668 CG PRO B 41 -4.675 -9.607 6.494 1.00 11.04 C ATOM 1669 CD PRO B 41 -3.958 -8.338 6.096 1.00 45.52 C ATOM 0 HA PRO B 41 -5.680 -7.643 8.823 1.00 2.44 H new ATOM 0 HB2 PRO B 41 -4.045 -10.097 8.497 1.00 54.44 H new ATOM 0 HB3 PRO B 41 -5.783 -9.974 8.307 1.00 54.44 H new ATOM 0 HG2 PRO B 41 -4.103 -10.487 6.202 1.00 11.04 H new ATOM 0 HG3 PRO B 41 -5.645 -9.679 6.001 1.00 11.04 H new ATOM 0 HD2 PRO B 41 -2.876 -8.438 6.184 1.00 45.52 H new ATOM 0 HD3 PRO B 41 -4.170 -8.058 5.064 1.00 45.52 H new ATOM 1677 N GLY B 42 -2.723 -6.830 9.107 1.00 72.20 N ATOM 1678 CA GLY B 42 -1.664 -6.409 10.041 1.00 23.14 C ATOM 1679 C GLY B 42 -2.061 -5.204 10.898 1.00 64.12 C ATOM 1680 O GLY B 42 -1.222 -4.355 11.209 1.00 3.00 O ATOM 0 H GLY B 42 -2.674 -6.371 8.197 1.00 72.20 H new ATOM 0 HA2 GLY B 42 -1.411 -7.244 10.694 1.00 23.14 H new ATOM 0 HA3 GLY B 42 -0.765 -6.164 9.475 1.00 23.14 H new ATOM 1684 N VAL B 43 -3.351 -5.130 11.285 1.00 22.21 N ATOM 1685 CA VAL B 43 -3.885 -4.053 12.153 1.00 61.23 C ATOM 1686 C VAL B 43 -4.162 -4.610 13.582 1.00 23.40 C ATOM 1687 O VAL B 43 -5.166 -5.312 13.789 1.00 52.12 O ATOM 1688 CB VAL B 43 -5.196 -3.417 11.539 1.00 75.45 C ATOM 1689 CG1 VAL B 43 -5.721 -2.246 12.411 1.00 54.41 C ATOM 1690 CG2 VAL B 43 -4.951 -2.960 10.076 1.00 73.51 C ATOM 0 H VAL B 43 -4.054 -5.814 11.006 1.00 22.21 H new ATOM 0 HA VAL B 43 -3.136 -3.264 12.219 1.00 61.23 H new ATOM 0 HB VAL B 43 -5.968 -4.187 11.530 1.00 75.45 H new ATOM 0 HG11 VAL B 43 -6.623 -1.832 11.960 1.00 54.41 H new ATOM 0 HG12 VAL B 43 -5.951 -2.612 13.412 1.00 54.41 H new ATOM 0 HG13 VAL B 43 -4.958 -1.470 12.475 1.00 54.41 H new ATOM 0 HG21 VAL B 43 -5.866 -2.525 9.673 1.00 73.51 H new ATOM 0 HG22 VAL B 43 -4.156 -2.215 10.056 1.00 73.51 H new ATOM 0 HG23 VAL B 43 -4.659 -3.818 9.471 1.00 73.51 H new ATOM 1700 N PRO B 44 -3.257 -4.336 14.591 1.00 30.45 N ATOM 1701 CA PRO B 44 -3.418 -4.839 15.987 1.00 11.23 C ATOM 1702 C PRO B 44 -4.644 -4.213 16.711 1.00 74.53 C ATOM 1703 O PRO B 44 -5.039 -3.088 16.391 1.00 21.34 O ATOM 1704 CB PRO B 44 -2.074 -4.447 16.679 1.00 33.24 C ATOM 1705 CG PRO B 44 -1.138 -4.106 15.551 1.00 15.43 C ATOM 1706 CD PRO B 44 -2.017 -3.531 14.461 1.00 74.04 C ATOM 0 HA PRO B 44 -3.613 -5.911 16.016 1.00 11.23 H new ATOM 0 HB2 PRO B 44 -2.209 -3.599 17.350 1.00 33.24 H new ATOM 0 HB3 PRO B 44 -1.685 -5.269 17.279 1.00 33.24 H new ATOM 0 HG2 PRO B 44 -0.385 -3.386 15.869 1.00 15.43 H new ATOM 0 HG3 PRO B 44 -0.605 -4.990 15.201 1.00 15.43 H new ATOM 0 HD2 PRO B 44 -2.206 -2.468 14.610 1.00 74.04 H new ATOM 0 HD3 PRO B 44 -1.564 -3.639 13.475 1.00 74.04 H new ATOM 1714 N ARG B 45 -5.209 -4.954 17.692 1.00 53.21 N ATOM 1715 CA ARG B 45 -6.483 -4.610 18.381 1.00 71.33 C ATOM 1716 C ARG B 45 -6.461 -3.227 19.079 1.00 64.51 C ATOM 1717 O ARG B 45 -5.911 -3.071 20.175 1.00 20.34 O ATOM 1718 CB ARG B 45 -6.858 -5.736 19.390 1.00 32.54 C ATOM 1719 CG ARG B 45 -7.309 -7.058 18.726 1.00 23.15 C ATOM 1720 CD ARG B 45 -8.583 -6.876 17.881 1.00 11.11 C ATOM 1721 NE ARG B 45 -9.059 -8.147 17.302 1.00 61.20 N ATOM 1722 CZ ARG B 45 -10.308 -8.554 17.286 1.00 31.42 C ATOM 1723 NH1 ARG B 45 -11.254 -7.857 17.836 1.00 1.31 N ATOM 1724 NH2 ARG B 45 -10.612 -9.673 16.720 1.00 30.13 N ATOM 0 H ARG B 45 -4.791 -5.819 18.034 1.00 53.21 H new ATOM 0 HA ARG B 45 -7.248 -4.536 17.608 1.00 71.33 H new ATOM 0 HB2 ARG B 45 -5.998 -5.938 20.028 1.00 32.54 H new ATOM 0 HB3 ARG B 45 -7.658 -5.377 20.038 1.00 32.54 H new ATOM 0 HG2 ARG B 45 -6.506 -7.438 18.094 1.00 23.15 H new ATOM 0 HG3 ARG B 45 -7.490 -7.807 19.497 1.00 23.15 H new ATOM 0 HD2 ARG B 45 -9.369 -6.445 18.501 1.00 11.11 H new ATOM 0 HD3 ARG B 45 -8.385 -6.166 17.078 1.00 11.11 H new ATOM 0 HE ARG B 45 -8.361 -8.760 16.880 1.00 61.20 H new ATOM 0 HH11 ARG B 45 -11.035 -6.972 18.294 1.00 1.31 H new ATOM 0 HH12 ARG B 45 -12.216 -8.194 17.811 1.00 1.31 H new ATOM 0 HH21 ARG B 45 -9.883 -10.240 16.286 1.00 30.13 H new ATOM 0 HH22 ARG B 45 -11.581 -9.991 16.706 1.00 30.13 H new ATOM 1738 N GLY B 46 -7.062 -2.226 18.405 1.00 72.25 N ATOM 1739 CA GLY B 46 -7.189 -0.868 18.942 1.00 54.43 C ATOM 1740 C GLY B 46 -6.114 0.108 18.453 1.00 15.01 C ATOM 1741 O GLY B 46 -6.194 1.303 18.755 1.00 2.25 O ATOM 0 H GLY B 46 -7.470 -2.342 17.477 1.00 72.25 H new ATOM 0 HA2 GLY B 46 -8.169 -0.474 18.674 1.00 54.43 H new ATOM 0 HA3 GLY B 46 -7.152 -0.916 20.030 1.00 54.43 H new ATOM 1745 N THR B 47 -5.108 -0.390 17.702 1.00 44.11 N ATOM 1746 CA THR B 47 -4.018 0.452 17.155 1.00 33.34 C ATOM 1747 C THR B 47 -4.553 1.382 16.041 1.00 72.53 C ATOM 1748 O THR B 47 -4.829 0.941 14.914 1.00 44.22 O ATOM 1749 CB THR B 47 -2.822 -0.408 16.602 1.00 34.14 C ATOM 1750 OG1 THR B 47 -2.341 -1.286 17.630 1.00 35.44 O ATOM 1751 CG2 THR B 47 -1.643 0.457 16.100 1.00 60.33 C ATOM 0 H THR B 47 -5.027 -1.377 17.459 1.00 44.11 H new ATOM 0 HA THR B 47 -3.640 1.055 17.981 1.00 33.34 H new ATOM 0 HB THR B 47 -3.208 -0.972 15.753 1.00 34.14 H new ATOM 0 HG1 THR B 47 -1.432 -1.579 17.411 1.00 35.44 H new ATOM 0 HG21 THR B 47 -0.848 -0.191 15.731 1.00 60.33 H new ATOM 0 HG22 THR B 47 -1.985 1.107 15.295 1.00 60.33 H new ATOM 0 HG23 THR B 47 -1.263 1.066 16.921 1.00 60.33 H new ATOM 1759 N GLN B 48 -4.747 2.660 16.398 1.00 31.40 N ATOM 1760 CA GLN B 48 -5.213 3.705 15.468 1.00 62.51 C ATOM 1761 C GLN B 48 -4.063 4.129 14.518 1.00 42.21 C ATOM 1762 O GLN B 48 -3.188 4.925 14.881 1.00 64.01 O ATOM 1763 CB GLN B 48 -5.749 4.917 16.272 1.00 64.30 C ATOM 1764 CG GLN B 48 -6.314 6.077 15.415 1.00 22.44 C ATOM 1765 CD GLN B 48 -6.602 7.356 16.213 1.00 21.11 C ATOM 1766 OE1 GLN B 48 -7.525 8.094 15.898 1.00 14.14 O ATOM 1767 NE2 GLN B 48 -5.779 7.669 17.209 1.00 3.22 N ATOM 0 H GLN B 48 -4.585 3.002 17.345 1.00 31.40 H new ATOM 0 HA GLN B 48 -6.024 3.310 14.856 1.00 62.51 H new ATOM 0 HB2 GLN B 48 -6.532 4.569 16.945 1.00 64.30 H new ATOM 0 HB3 GLN B 48 -4.943 5.305 16.895 1.00 64.30 H new ATOM 0 HG2 GLN B 48 -5.604 6.308 14.621 1.00 22.44 H new ATOM 0 HG3 GLN B 48 -7.234 5.746 14.934 1.00 22.44 H new ATOM 0 HE21 GLN B 48 -5.015 7.040 17.456 1.00 3.22 H new ATOM 0 HE22 GLN B 48 -5.911 8.538 17.726 1.00 3.22 H new ATOM 1776 N LEU B 49 -4.054 3.540 13.317 1.00 33.34 N ATOM 1777 CA LEU B 49 -3.065 3.864 12.270 1.00 32.13 C ATOM 1778 C LEU B 49 -3.346 5.252 11.645 1.00 42.01 C ATOM 1779 O LEU B 49 -4.499 5.580 11.344 1.00 2.34 O ATOM 1780 CB LEU B 49 -3.084 2.763 11.176 1.00 3.32 C ATOM 1781 CG LEU B 49 -2.788 1.309 11.676 1.00 11.25 C ATOM 1782 CD1 LEU B 49 -2.926 0.277 10.532 1.00 1.11 C ATOM 1783 CD2 LEU B 49 -1.395 1.218 12.352 1.00 31.13 C ATOM 0 H LEU B 49 -4.728 2.827 13.039 1.00 33.34 H new ATOM 0 HA LEU B 49 -2.076 3.901 12.727 1.00 32.13 H new ATOM 0 HB2 LEU B 49 -4.062 2.771 10.695 1.00 3.32 H new ATOM 0 HB3 LEU B 49 -2.351 3.022 10.412 1.00 3.32 H new ATOM 0 HG LEU B 49 -3.537 1.064 12.429 1.00 11.25 H new ATOM 0 HD11 LEU B 49 -2.714 -0.721 10.915 1.00 1.11 H new ATOM 0 HD12 LEU B 49 -3.941 0.306 10.137 1.00 1.11 H new ATOM 0 HD13 LEU B 49 -2.220 0.518 9.737 1.00 1.11 H new ATOM 0 HD21 LEU B 49 -1.220 0.196 12.688 1.00 31.13 H new ATOM 0 HD22 LEU B 49 -0.624 1.502 11.636 1.00 31.13 H new ATOM 0 HD23 LEU B 49 -1.361 1.892 13.208 1.00 31.13 H new ATOM 1795 N SER B 50 -2.294 6.074 11.496 1.00 23.31 N ATOM 1796 CA SER B 50 -2.360 7.357 10.749 1.00 42.35 C ATOM 1797 C SER B 50 -2.018 7.130 9.257 1.00 14.22 C ATOM 1798 O SER B 50 -1.820 5.988 8.828 1.00 63.32 O ATOM 1799 CB SER B 50 -1.407 8.400 11.383 1.00 62.12 C ATOM 1800 OG SER B 50 -0.038 8.095 11.143 1.00 2.53 O ATOM 0 H SER B 50 -1.373 5.875 11.886 1.00 23.31 H new ATOM 0 HA SER B 50 -3.377 7.745 10.809 1.00 42.35 H new ATOM 0 HB2 SER B 50 -1.633 9.388 10.981 1.00 62.12 H new ATOM 0 HB3 SER B 50 -1.584 8.445 12.458 1.00 62.12 H new ATOM 0 HG SER B 50 0.311 8.685 10.442 1.00 2.53 H new ATOM 1806 N GLN B 51 -1.929 8.224 8.477 1.00 13.40 N ATOM 1807 CA GLN B 51 -1.802 8.166 7.002 1.00 52.15 C ATOM 1808 C GLN B 51 -0.455 7.527 6.534 1.00 20.33 C ATOM 1809 O GLN B 51 -0.445 6.707 5.600 1.00 10.30 O ATOM 1810 CB GLN B 51 -1.988 9.597 6.427 1.00 32.31 C ATOM 1811 CG GLN B 51 -2.082 9.656 4.896 1.00 64.43 C ATOM 1812 CD GLN B 51 -2.394 11.046 4.332 1.00 31.04 C ATOM 1813 OE1 GLN B 51 -3.067 11.860 4.959 1.00 70.24 O ATOM 1814 NE2 GLN B 51 -1.927 11.317 3.125 1.00 71.04 N ATOM 0 H GLN B 51 -1.943 9.174 8.848 1.00 13.40 H new ATOM 0 HA GLN B 51 -2.582 7.511 6.615 1.00 52.15 H new ATOM 0 HB2 GLN B 51 -2.893 10.032 6.852 1.00 32.31 H new ATOM 0 HB3 GLN B 51 -1.153 10.218 6.752 1.00 32.31 H new ATOM 0 HG2 GLN B 51 -1.139 9.309 4.473 1.00 64.43 H new ATOM 0 HG3 GLN B 51 -2.854 8.962 4.565 1.00 64.43 H new ATOM 0 HE21 GLN B 51 -1.370 10.623 2.626 1.00 71.04 H new ATOM 0 HE22 GLN B 51 -2.123 12.220 2.693 1.00 71.04 H new ATOM 1823 N VAL B 52 0.668 7.900 7.188 1.00 23.12 N ATOM 1824 CA VAL B 52 2.002 7.293 6.914 1.00 71.05 C ATOM 1825 C VAL B 52 2.066 5.827 7.430 1.00 10.14 C ATOM 1826 O VAL B 52 2.649 4.953 6.772 1.00 43.13 O ATOM 1827 CB VAL B 52 3.186 8.128 7.551 1.00 33.12 C ATOM 1828 CG1 VAL B 52 4.567 7.579 7.114 1.00 61.04 C ATOM 1829 CG2 VAL B 52 3.072 9.626 7.198 1.00 42.35 C ATOM 0 H VAL B 52 0.683 8.619 7.911 1.00 23.12 H new ATOM 0 HA VAL B 52 2.126 7.302 5.831 1.00 71.05 H new ATOM 0 HB VAL B 52 3.104 8.023 8.633 1.00 33.12 H new ATOM 0 HG11 VAL B 52 5.357 8.176 7.570 1.00 61.04 H new ATOM 0 HG12 VAL B 52 4.665 6.542 7.435 1.00 61.04 H new ATOM 0 HG13 VAL B 52 4.653 7.632 6.029 1.00 61.04 H new ATOM 0 HG21 VAL B 52 3.900 10.171 7.651 1.00 42.35 H new ATOM 0 HG22 VAL B 52 3.106 9.748 6.115 1.00 42.35 H new ATOM 0 HG23 VAL B 52 2.129 10.019 7.578 1.00 42.35 H new ATOM 1839 N GLU B 53 1.438 5.580 8.609 1.00 21.22 N ATOM 1840 CA GLU B 53 1.386 4.239 9.254 1.00 21.43 C ATOM 1841 C GLU B 53 0.794 3.171 8.313 1.00 10.04 C ATOM 1842 O GLU B 53 1.278 2.042 8.287 1.00 33.44 O ATOM 1843 CB GLU B 53 0.564 4.286 10.574 1.00 12.52 C ATOM 1844 CG GLU B 53 1.161 5.160 11.694 1.00 44.14 C ATOM 1845 CD GLU B 53 2.513 4.649 12.221 1.00 61.33 C ATOM 1846 OE1 GLU B 53 2.523 3.659 12.985 1.00 2.23 O ATOM 1847 OE2 GLU B 53 3.562 5.239 11.886 1.00 15.14 O ATOM 0 H GLU B 53 0.953 6.304 9.140 1.00 21.22 H new ATOM 0 HA GLU B 53 2.415 3.960 9.483 1.00 21.43 H new ATOM 0 HB2 GLU B 53 -0.437 4.652 10.346 1.00 12.52 H new ATOM 0 HB3 GLU B 53 0.454 3.269 10.950 1.00 12.52 H new ATOM 0 HG2 GLU B 53 1.287 6.177 11.322 1.00 44.14 H new ATOM 0 HG3 GLU B 53 0.453 5.209 12.521 1.00 44.14 H new ATOM 1854 N ILE B 54 -0.241 3.560 7.545 1.00 34.35 N ATOM 1855 CA ILE B 54 -0.889 2.692 6.531 1.00 61.14 C ATOM 1856 C ILE B 54 0.149 2.125 5.529 1.00 34.44 C ATOM 1857 O ILE B 54 0.258 0.910 5.376 1.00 11.43 O ATOM 1858 CB ILE B 54 -1.998 3.492 5.749 1.00 31.40 C ATOM 1859 CG1 ILE B 54 -3.130 3.973 6.713 1.00 3.51 C ATOM 1860 CG2 ILE B 54 -2.583 2.669 4.568 1.00 23.53 C ATOM 1861 CD1 ILE B 54 -4.095 4.966 6.094 1.00 41.52 C ATOM 0 H ILE B 54 -0.657 4.489 7.607 1.00 34.35 H new ATOM 0 HA ILE B 54 -1.351 1.857 7.058 1.00 61.14 H new ATOM 0 HB ILE B 54 -1.519 4.373 5.322 1.00 31.40 H new ATOM 0 HG12 ILE B 54 -3.691 3.105 7.057 1.00 3.51 H new ATOM 0 HG13 ILE B 54 -2.674 4.427 7.593 1.00 3.51 H new ATOM 0 HG21 ILE B 54 -3.344 3.258 4.056 1.00 23.53 H new ATOM 0 HG22 ILE B 54 -1.785 2.419 3.868 1.00 23.53 H new ATOM 0 HG23 ILE B 54 -3.030 1.752 4.950 1.00 23.53 H new ATOM 0 HD11 ILE B 54 -4.848 5.248 6.829 1.00 41.52 H new ATOM 0 HD12 ILE B 54 -3.549 5.854 5.775 1.00 41.52 H new ATOM 0 HD13 ILE B 54 -4.582 4.511 5.232 1.00 41.52 H new ATOM 1873 N LEU B 55 0.920 3.032 4.893 1.00 75.34 N ATOM 1874 CA LEU B 55 1.953 2.676 3.883 1.00 2.12 C ATOM 1875 C LEU B 55 2.984 1.680 4.451 1.00 23.33 C ATOM 1876 O LEU B 55 3.313 0.679 3.822 1.00 71.05 O ATOM 1877 CB LEU B 55 2.685 3.957 3.399 1.00 25.23 C ATOM 1878 CG LEU B 55 1.781 5.056 2.770 1.00 10.21 C ATOM 1879 CD1 LEU B 55 2.605 6.297 2.369 1.00 52.14 C ATOM 1880 CD2 LEU B 55 0.991 4.492 1.569 1.00 44.33 C ATOM 0 H LEU B 55 0.848 4.035 5.062 1.00 75.34 H new ATOM 0 HA LEU B 55 1.445 2.199 3.045 1.00 2.12 H new ATOM 0 HB2 LEU B 55 3.216 4.391 4.246 1.00 25.23 H new ATOM 0 HB3 LEU B 55 3.437 3.668 2.665 1.00 25.23 H new ATOM 0 HG LEU B 55 1.062 5.374 3.525 1.00 10.21 H new ATOM 0 HD11 LEU B 55 1.945 7.047 1.933 1.00 52.14 H new ATOM 0 HD12 LEU B 55 3.091 6.712 3.252 1.00 52.14 H new ATOM 0 HD13 LEU B 55 3.362 6.011 1.639 1.00 52.14 H new ATOM 0 HD21 LEU B 55 0.365 5.277 1.144 1.00 44.33 H new ATOM 0 HD22 LEU B 55 1.688 4.133 0.811 1.00 44.33 H new ATOM 0 HD23 LEU B 55 0.362 3.667 1.903 1.00 44.33 H new ATOM 1892 N GLN B 56 3.452 1.985 5.666 1.00 13.34 N ATOM 1893 CA GLN B 56 4.446 1.180 6.395 1.00 13.34 C ATOM 1894 C GLN B 56 3.912 -0.244 6.740 1.00 43.45 C ATOM 1895 O GLN B 56 4.637 -1.227 6.581 1.00 21.11 O ATOM 1896 CB GLN B 56 4.860 1.956 7.667 1.00 1.24 C ATOM 1897 CG GLN B 56 5.594 3.288 7.381 1.00 43.34 C ATOM 1898 CD GLN B 56 5.797 4.182 8.614 1.00 71.20 C ATOM 1899 OE1 GLN B 56 6.792 4.883 8.730 1.00 4.15 O ATOM 1900 NE2 GLN B 56 4.837 4.221 9.509 1.00 61.41 N ATOM 0 H GLN B 56 3.148 2.811 6.181 1.00 13.34 H new ATOM 0 HA GLN B 56 5.317 1.023 5.758 1.00 13.34 H new ATOM 0 HB2 GLN B 56 3.969 2.164 8.259 1.00 1.24 H new ATOM 0 HB3 GLN B 56 5.505 1.321 8.274 1.00 1.24 H new ATOM 0 HG2 GLN B 56 6.568 3.065 6.945 1.00 43.34 H new ATOM 0 HG3 GLN B 56 5.030 3.845 6.633 1.00 43.34 H new ATOM 0 HE21 GLN B 56 4.013 3.630 9.399 1.00 61.41 H new ATOM 0 HE22 GLN B 56 4.916 4.842 10.314 1.00 61.41 H new ATOM 1909 N ARG B 57 2.630 -0.325 7.171 1.00 44.25 N ATOM 1910 CA ARG B 57 1.938 -1.607 7.502 1.00 61.15 C ATOM 1911 C ARG B 57 1.754 -2.498 6.252 1.00 44.44 C ATOM 1912 O ARG B 57 1.827 -3.730 6.340 1.00 50.42 O ATOM 1913 CB ARG B 57 0.548 -1.319 8.146 1.00 11.40 C ATOM 1914 CG ARG B 57 0.582 -0.740 9.585 1.00 75.02 C ATOM 1915 CD ARG B 57 0.805 -1.806 10.678 1.00 33.42 C ATOM 1916 NE ARG B 57 2.132 -2.447 10.630 1.00 71.13 N ATOM 1917 CZ ARG B 57 2.433 -3.611 11.174 1.00 12.32 C ATOM 1918 NH1 ARG B 57 1.532 -4.345 11.749 1.00 61.11 N ATOM 1919 NH2 ARG B 57 3.641 -4.046 11.118 1.00 41.12 N ATOM 0 H ARG B 57 2.040 0.497 7.301 1.00 44.25 H new ATOM 0 HA ARG B 57 2.568 -2.144 8.212 1.00 61.15 H new ATOM 0 HB2 ARG B 57 0.009 -0.621 7.506 1.00 11.40 H new ATOM 0 HB3 ARG B 57 -0.025 -2.246 8.160 1.00 11.40 H new ATOM 0 HG2 ARG B 57 1.376 0.004 9.649 1.00 75.02 H new ATOM 0 HG3 ARG B 57 -0.357 -0.222 9.781 1.00 75.02 H new ATOM 0 HD2 ARG B 57 0.672 -1.342 11.655 1.00 33.42 H new ATOM 0 HD3 ARG B 57 0.038 -2.575 10.583 1.00 33.42 H new ATOM 0 HE ARG B 57 2.876 -1.952 10.138 1.00 71.13 H new ATOM 0 HH11 ARG B 57 0.564 -4.026 11.788 1.00 61.11 H new ATOM 0 HH12 ARG B 57 1.791 -5.241 12.162 1.00 61.11 H new ATOM 0 HH21 ARG B 57 4.362 -3.492 10.655 1.00 41.12 H new ATOM 0 HH22 ARG B 57 3.879 -4.945 11.537 1.00 41.12 H new ATOM 1933 N VAL B 58 1.477 -1.846 5.106 1.00 1.11 N ATOM 1934 CA VAL B 58 1.398 -2.513 3.793 1.00 62.25 C ATOM 1935 C VAL B 58 2.761 -3.155 3.423 1.00 52.23 C ATOM 1936 O VAL B 58 2.811 -4.328 3.047 1.00 34.43 O ATOM 1937 CB VAL B 58 0.948 -1.505 2.662 1.00 23.03 C ATOM 1938 CG1 VAL B 58 1.063 -2.138 1.262 1.00 12.21 C ATOM 1939 CG2 VAL B 58 -0.492 -0.984 2.909 1.00 34.02 C ATOM 0 H VAL B 58 1.302 -0.842 5.065 1.00 1.11 H new ATOM 0 HA VAL B 58 0.646 -3.299 3.867 1.00 62.25 H new ATOM 0 HB VAL B 58 1.628 -0.654 2.702 1.00 23.03 H new ATOM 0 HG11 VAL B 58 0.745 -1.416 0.509 1.00 12.21 H new ATOM 0 HG12 VAL B 58 2.098 -2.424 1.076 1.00 12.21 H new ATOM 0 HG13 VAL B 58 0.427 -3.022 1.209 1.00 12.21 H new ATOM 0 HG21 VAL B 58 -0.770 -0.293 2.113 1.00 34.02 H new ATOM 0 HG22 VAL B 58 -1.186 -1.824 2.919 1.00 34.02 H new ATOM 0 HG23 VAL B 58 -0.533 -0.468 3.868 1.00 34.02 H new ATOM 1949 N ILE B 59 3.853 -2.367 3.555 1.00 41.34 N ATOM 1950 CA ILE B 59 5.236 -2.836 3.285 1.00 61.03 C ATOM 1951 C ILE B 59 5.573 -4.092 4.137 1.00 52.33 C ATOM 1952 O ILE B 59 6.020 -5.101 3.590 1.00 74.13 O ATOM 1953 CB ILE B 59 6.282 -1.676 3.547 1.00 11.14 C ATOM 1954 CG1 ILE B 59 6.002 -0.461 2.593 1.00 74.01 C ATOM 1955 CG2 ILE B 59 7.749 -2.170 3.397 1.00 35.31 C ATOM 1956 CD1 ILE B 59 6.772 0.812 2.919 1.00 64.40 C ATOM 0 H ILE B 59 3.803 -1.392 3.850 1.00 41.34 H new ATOM 0 HA ILE B 59 5.299 -3.118 2.234 1.00 61.03 H new ATOM 0 HB ILE B 59 6.158 -1.348 4.579 1.00 11.14 H new ATOM 0 HG12 ILE B 59 6.241 -0.759 1.572 1.00 74.01 H new ATOM 0 HG13 ILE B 59 4.935 -0.238 2.619 1.00 74.01 H new ATOM 0 HG21 ILE B 59 8.433 -1.342 3.585 1.00 35.31 H new ATOM 0 HG22 ILE B 59 7.939 -2.968 4.115 1.00 35.31 H new ATOM 0 HG23 ILE B 59 7.905 -2.546 2.386 1.00 35.31 H new ATOM 0 HD11 ILE B 59 6.508 1.590 2.203 1.00 64.40 H new ATOM 0 HD12 ILE B 59 6.517 1.144 3.926 1.00 64.40 H new ATOM 0 HD13 ILE B 59 7.842 0.614 2.862 1.00 64.40 H new ATOM 1968 N ASP B 60 5.291 -4.025 5.461 1.00 2.14 N ATOM 1969 CA ASP B 60 5.501 -5.159 6.409 1.00 14.03 C ATOM 1970 C ASP B 60 4.757 -6.442 5.951 1.00 15.53 C ATOM 1971 O ASP B 60 5.341 -7.529 5.901 1.00 1.41 O ATOM 1972 CB ASP B 60 5.026 -4.777 7.840 1.00 51.13 C ATOM 1973 CG ASP B 60 5.746 -3.554 8.434 1.00 4.14 C ATOM 1974 OD1 ASP B 60 6.983 -3.458 8.300 1.00 73.52 O ATOM 1975 OD2 ASP B 60 5.083 -2.683 9.048 1.00 32.44 O ATOM 0 H ASP B 60 4.913 -3.189 5.906 1.00 2.14 H new ATOM 0 HA ASP B 60 6.571 -5.366 6.421 1.00 14.03 H new ATOM 0 HB2 ASP B 60 3.955 -4.578 7.815 1.00 51.13 H new ATOM 0 HB3 ASP B 60 5.176 -5.630 8.501 1.00 51.13 H new ATOM 1980 N TYR B 61 3.470 -6.267 5.597 1.00 45.50 N ATOM 1981 CA TYR B 61 2.585 -7.355 5.120 1.00 5.24 C ATOM 1982 C TYR B 61 3.171 -8.082 3.880 1.00 14.33 C ATOM 1983 O TYR B 61 3.224 -9.317 3.835 1.00 54.13 O ATOM 1984 CB TYR B 61 1.187 -6.756 4.789 1.00 61.31 C ATOM 1985 CG TYR B 61 0.191 -7.727 4.115 1.00 60.11 C ATOM 1986 CD1 TYR B 61 -0.379 -8.784 4.832 1.00 2.00 C ATOM 1987 CD2 TYR B 61 -0.185 -7.574 2.770 1.00 65.24 C ATOM 1988 CE1 TYR B 61 -1.276 -9.649 4.237 1.00 63.31 C ATOM 1989 CE2 TYR B 61 -1.086 -8.440 2.176 1.00 71.53 C ATOM 1990 CZ TYR B 61 -1.636 -9.471 2.916 1.00 11.23 C ATOM 1991 OH TYR B 61 -2.534 -10.337 2.333 1.00 14.30 O ATOM 0 H TYR B 61 3.007 -5.359 5.633 1.00 45.50 H new ATOM 0 HA TYR B 61 2.497 -8.101 5.910 1.00 5.24 H new ATOM 0 HB2 TYR B 61 0.740 -6.388 5.713 1.00 61.31 H new ATOM 0 HB3 TYR B 61 1.325 -5.894 4.136 1.00 61.31 H new ATOM 0 HD1 TYR B 61 -0.113 -8.926 5.869 1.00 2.00 H new ATOM 0 HD2 TYR B 61 0.236 -6.767 2.190 1.00 65.24 H new ATOM 0 HE1 TYR B 61 -1.696 -10.465 4.805 1.00 63.31 H new ATOM 0 HE2 TYR B 61 -1.359 -8.311 1.139 1.00 71.53 H new ATOM 0 HH TYR B 61 -2.683 -10.075 1.400 1.00 14.30 H new ATOM 2001 N ILE B 62 3.612 -7.286 2.895 1.00 70.41 N ATOM 2002 CA ILE B 62 4.127 -7.794 1.607 1.00 65.34 C ATOM 2003 C ILE B 62 5.486 -8.526 1.786 1.00 73.10 C ATOM 2004 O ILE B 62 5.722 -9.542 1.140 1.00 32.14 O ATOM 2005 CB ILE B 62 4.255 -6.617 0.550 1.00 42.23 C ATOM 2006 CG1 ILE B 62 2.864 -5.932 0.300 1.00 44.33 C ATOM 2007 CG2 ILE B 62 4.854 -7.109 -0.791 1.00 32.23 C ATOM 2008 CD1 ILE B 62 2.896 -4.736 -0.647 1.00 4.13 C ATOM 0 H ILE B 62 3.623 -6.269 2.966 1.00 70.41 H new ATOM 0 HA ILE B 62 3.409 -8.521 1.227 1.00 65.34 H new ATOM 0 HB ILE B 62 4.939 -5.882 0.974 1.00 42.23 H new ATOM 0 HG12 ILE B 62 2.176 -6.676 -0.102 1.00 44.33 H new ATOM 0 HG13 ILE B 62 2.458 -5.607 1.258 1.00 44.33 H new ATOM 0 HG21 ILE B 62 4.925 -6.273 -1.487 1.00 32.23 H new ATOM 0 HG22 ILE B 62 5.848 -7.521 -0.616 1.00 32.23 H new ATOM 0 HG23 ILE B 62 4.211 -7.880 -1.215 1.00 32.23 H new ATOM 0 HD11 ILE B 62 1.890 -4.331 -0.756 1.00 4.13 H new ATOM 0 HD12 ILE B 62 3.554 -3.968 -0.241 1.00 4.13 H new ATOM 0 HD13 ILE B 62 3.267 -5.053 -1.621 1.00 4.13 H new ATOM 2020 N LEU B 63 6.354 -8.015 2.687 1.00 62.52 N ATOM 2021 CA LEU B 63 7.706 -8.592 2.945 1.00 71.41 C ATOM 2022 C LEU B 63 7.666 -10.084 3.397 1.00 65.22 C ATOM 2023 O LEU B 63 8.495 -10.885 2.956 1.00 40.05 O ATOM 2024 CB LEU B 63 8.455 -7.736 4.000 1.00 4.44 C ATOM 2025 CG LEU B 63 8.905 -6.310 3.540 1.00 43.24 C ATOM 2026 CD1 LEU B 63 9.449 -5.483 4.727 1.00 23.22 C ATOM 2027 CD2 LEU B 63 9.934 -6.395 2.382 1.00 1.22 C ATOM 0 H LEU B 63 6.145 -7.195 3.257 1.00 62.52 H new ATOM 0 HA LEU B 63 8.241 -8.570 1.995 1.00 71.41 H new ATOM 0 HB2 LEU B 63 7.811 -7.627 4.873 1.00 4.44 H new ATOM 0 HB3 LEU B 63 9.339 -8.286 4.323 1.00 4.44 H new ATOM 0 HG LEU B 63 8.026 -5.789 3.159 1.00 43.24 H new ATOM 0 HD11 LEU B 63 9.753 -4.497 4.375 1.00 23.22 H new ATOM 0 HD12 LEU B 63 8.670 -5.374 5.482 1.00 23.22 H new ATOM 0 HD13 LEU B 63 10.308 -5.994 5.163 1.00 23.22 H new ATOM 0 HD21 LEU B 63 10.229 -5.389 2.083 1.00 1.22 H new ATOM 0 HD22 LEU B 63 10.813 -6.947 2.716 1.00 1.22 H new ATOM 0 HD23 LEU B 63 9.484 -6.909 1.533 1.00 1.22 H new ATOM 2039 N ASP B 64 6.710 -10.433 4.281 1.00 0.11 N ATOM 2040 CA ASP B 64 6.509 -11.833 4.752 1.00 2.54 C ATOM 2041 C ASP B 64 6.012 -12.764 3.620 1.00 14.24 C ATOM 2042 O ASP B 64 6.298 -13.968 3.613 1.00 74.22 O ATOM 2043 CB ASP B 64 5.517 -11.858 5.943 1.00 24.13 C ATOM 2044 CG ASP B 64 6.105 -11.230 7.212 1.00 23.32 C ATOM 2045 OD1 ASP B 64 6.021 -9.997 7.372 1.00 44.23 O ATOM 2046 OD2 ASP B 64 6.673 -11.962 8.054 1.00 32.30 O ATOM 0 H ASP B 64 6.057 -9.765 4.690 1.00 0.11 H new ATOM 0 HA ASP B 64 7.478 -12.210 5.079 1.00 2.54 H new ATOM 0 HB2 ASP B 64 4.608 -11.324 5.665 1.00 24.13 H new ATOM 0 HB3 ASP B 64 5.231 -12.889 6.151 1.00 24.13 H new ATOM 2051 N LEU B 65 5.252 -12.195 2.672 1.00 32.43 N ATOM 2052 CA LEU B 65 4.737 -12.940 1.497 1.00 4.42 C ATOM 2053 C LEU B 65 5.833 -13.112 0.408 1.00 64.03 C ATOM 2054 O LEU B 65 5.864 -14.120 -0.306 1.00 64.03 O ATOM 2055 CB LEU B 65 3.502 -12.205 0.913 1.00 5.22 C ATOM 2056 CG LEU B 65 2.337 -11.928 1.918 1.00 50.15 C ATOM 2057 CD1 LEU B 65 1.147 -11.230 1.225 1.00 3.23 C ATOM 2058 CD2 LEU B 65 1.891 -13.224 2.645 1.00 74.32 C ATOM 0 H LEU B 65 4.975 -11.214 2.691 1.00 32.43 H new ATOM 0 HA LEU B 65 4.442 -13.937 1.825 1.00 4.42 H new ATOM 0 HB2 LEU B 65 3.832 -11.253 0.498 1.00 5.22 H new ATOM 0 HB3 LEU B 65 3.110 -12.795 0.085 1.00 5.22 H new ATOM 0 HG LEU B 65 2.718 -11.245 2.677 1.00 50.15 H new ATOM 0 HD11 LEU B 65 0.355 -11.053 1.953 1.00 3.23 H new ATOM 0 HD12 LEU B 65 1.476 -10.278 0.808 1.00 3.23 H new ATOM 0 HD13 LEU B 65 0.768 -11.866 0.425 1.00 3.23 H new ATOM 0 HD21 LEU B 65 1.080 -12.993 3.336 1.00 74.32 H new ATOM 0 HD22 LEU B 65 1.547 -13.953 1.911 1.00 74.32 H new ATOM 0 HD23 LEU B 65 2.733 -13.638 3.200 1.00 74.32 H new ATOM 2070 N GLN B 66 6.717 -12.108 0.315 1.00 71.44 N ATOM 2071 CA GLN B 66 7.813 -12.038 -0.685 1.00 54.00 C ATOM 2072 C GLN B 66 9.167 -12.476 -0.080 1.00 13.15 C ATOM 2073 O GLN B 66 9.253 -12.852 1.093 1.00 34.32 O ATOM 2074 CB GLN B 66 7.932 -10.579 -1.224 1.00 12.24 C ATOM 2075 CG GLN B 66 6.685 -10.061 -1.958 1.00 22.33 C ATOM 2076 CD GLN B 66 6.376 -10.836 -3.235 1.00 64.40 C ATOM 2077 OE1 GLN B 66 5.633 -11.812 -3.229 1.00 31.40 O ATOM 2078 NE2 GLN B 66 6.976 -10.423 -4.329 1.00 20.44 N ATOM 0 H GLN B 66 6.697 -11.303 0.941 1.00 71.44 H new ATOM 0 HA GLN B 66 7.571 -12.722 -1.498 1.00 54.00 H new ATOM 0 HB2 GLN B 66 8.147 -9.914 -0.388 1.00 12.24 H new ATOM 0 HB3 GLN B 66 8.784 -10.525 -1.902 1.00 12.24 H new ATOM 0 HG2 GLN B 66 5.827 -10.119 -1.289 1.00 22.33 H new ATOM 0 HG3 GLN B 66 6.827 -9.009 -2.204 1.00 22.33 H new ATOM 0 HE21 GLN B 66 7.588 -9.607 -4.298 1.00 20.44 H new ATOM 0 HE22 GLN B 66 6.830 -10.918 -5.209 1.00 20.44 H new ATOM 2087 N VAL B 67 10.219 -12.440 -0.911 1.00 72.54 N ATOM 2088 CA VAL B 67 11.615 -12.572 -0.453 1.00 51.51 C ATOM 2089 C VAL B 67 12.222 -11.164 -0.234 1.00 32.52 C ATOM 2090 O VAL B 67 12.159 -10.294 -1.116 1.00 13.51 O ATOM 2091 CB VAL B 67 12.481 -13.435 -1.453 1.00 52.55 C ATOM 2092 CG1 VAL B 67 12.013 -14.912 -1.436 1.00 23.40 C ATOM 2093 CG2 VAL B 67 12.464 -12.859 -2.901 1.00 52.34 C ATOM 0 H VAL B 67 10.129 -12.319 -1.920 1.00 72.54 H new ATOM 0 HA VAL B 67 11.622 -13.107 0.497 1.00 51.51 H new ATOM 0 HB VAL B 67 13.515 -13.390 -1.111 1.00 52.55 H new ATOM 0 HG11 VAL B 67 12.619 -15.494 -2.130 1.00 23.40 H new ATOM 0 HG12 VAL B 67 12.124 -15.317 -0.430 1.00 23.40 H new ATOM 0 HG13 VAL B 67 10.966 -14.966 -1.736 1.00 23.40 H new ATOM 0 HG21 VAL B 67 13.074 -13.488 -3.550 1.00 52.34 H new ATOM 0 HG22 VAL B 67 11.440 -12.840 -3.273 1.00 52.34 H new ATOM 0 HG23 VAL B 67 12.867 -11.846 -2.894 1.00 52.34 H new ATOM 2103 N VAL B 68 12.773 -10.939 0.969 1.00 33.34 N ATOM 2104 CA VAL B 68 13.319 -9.627 1.384 1.00 1.03 C ATOM 2105 C VAL B 68 14.809 -9.488 0.936 1.00 64.21 C ATOM 2106 O VAL B 68 15.682 -10.184 1.508 1.00 38.17 O ATOM 2107 CB VAL B 68 13.179 -9.427 2.947 1.00 4.54 C ATOM 2108 CG1 VAL B 68 13.552 -7.982 3.363 1.00 65.32 C ATOM 2109 CG2 VAL B 68 11.757 -9.810 3.440 1.00 74.50 C ATOM 2110 OXT VAL B 68 15.093 -8.712 0.000 1.00 38.17 O ATOM 0 H VAL B 68 12.855 -11.660 1.686 1.00 33.34 H new ATOM 0 HA VAL B 68 12.740 -8.845 0.893 1.00 1.03 H new ATOM 0 HB VAL B 68 13.885 -10.101 3.431 1.00 4.54 H new ATOM 0 HG11 VAL B 68 13.446 -7.875 4.443 1.00 65.32 H new ATOM 0 HG12 VAL B 68 14.584 -7.776 3.078 1.00 65.32 H new ATOM 0 HG13 VAL B 68 12.889 -7.277 2.862 1.00 65.32 H new ATOM 0 HG21 VAL B 68 11.693 -9.661 4.518 1.00 74.50 H new ATOM 0 HG22 VAL B 68 11.018 -9.182 2.943 1.00 74.50 H new ATOM 0 HG23 VAL B 68 11.560 -10.856 3.206 1.00 74.50 H new TER 2120 VAL B 68