USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 886 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 12 ASN : amide:sc= 1.01 K(o=1,f=-0.73) USER MOD Set 1.2: B 15 MET CE :methyl 178:sc= -0.0183 (180deg=0) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.952 K(o=0.93,f=-0.73) USER MOD Set 2.2: A 15 MET CE :methyl 178:sc= -0.0221 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 160:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.626 K(o=-0.63,f=-2.5!) USER MOD Single : A 24 GLN : amide:sc= 0.656 K(o=0.66,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -0.415 K(o=-0.42,f=-4.3!) USER MOD Single : A 33 MET CE :methyl -179:sc= -5.01! (180deg=-5.02!) USER MOD Single : A 34 MET CE :methyl -170:sc= -0.486 (180deg=-0.778) USER MOD Single : A 35 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.15) USER MOD Single : A 36 HIS : no HD1:sc= -6.67! C(o=-6.7!,f=-5.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 47 GLN : amide:sc= -0.498 K(o=-0.5,f=-1.9!) USER MOD Single : A 51 GLN : amide:sc= -0.514 K(o=-0.51,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=-0.011) USER MOD Single : A 54 GLN : amide:sc= -0.839 K(o=-0.84,f=-4.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot 170:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.663 K(o=-0.66,f=-2.5!) USER MOD Single : B 24 GLN : amide:sc= 0.627 K(o=0.63,f=-2.7!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HE2:sc= -0.301 K(o=-0.3,f=-4.3!) USER MOD Single : B 33 MET CE :methyl 167:sc= -1.57 (180deg=-1.96) USER MOD Single : B 34 MET CE :methyl -153:sc= -0.105 (180deg=-0.658) USER MOD Single : B 35 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.21) USER MOD Single : B 36 HIS : no HD1:sc= -6.68! C(o=-6.7!,f=-5.1!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 ASN : amide:sc=-0.000691 K(o=-0.00069,f=-1.4) USER MOD Single : B 47 GLN : amide:sc= -0.506 K(o=-0.51,f=-1.8) USER MOD Single : B 51 GLN : amide:sc= -0.529 K(o=-0.53,f=0) USER MOD Single : B 53 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.012) USER MOD Single : B 54 GLN : amide:sc= -0.859 K(o=-0.86,f=-4.4!) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.680 -5.632 -19.278 1.00 0.00 N ATOM 2 CA LEU A 8 -8.766 -6.245 -18.461 1.00 0.00 C ATOM 3 C LEU A 8 -8.409 -6.179 -16.974 1.00 0.00 C ATOM 4 O LEU A 8 -8.851 -6.988 -16.183 1.00 0.00 O ATOM 5 CB LEU A 8 -8.842 -7.698 -18.932 1.00 0.00 C ATOM 6 CG LEU A 8 -10.214 -8.278 -18.583 1.00 0.00 C ATOM 7 CD1 LEU A 8 -10.910 -8.745 -19.863 1.00 0.00 C ATOM 8 CD2 LEU A 8 -10.039 -9.467 -17.636 1.00 0.00 C ATOM 0 HA LEU A 8 -9.718 -5.728 -18.582 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.676 -7.752 -20.008 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.056 -8.286 -18.459 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.820 -7.513 -18.098 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.888 -9.158 -19.615 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.034 -7.899 -20.539 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.304 -9.511 -20.348 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.016 -9.881 -17.387 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.434 -10.233 -18.121 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.542 -9.136 -16.724 1.00 0.00 H new ATOM 20 N GLU A 9 -7.610 -5.223 -16.591 1.00 0.00 N ATOM 21 CA GLU A 9 -7.221 -5.105 -15.157 1.00 0.00 C ATOM 22 C GLU A 9 -8.366 -4.495 -14.336 1.00 0.00 C ATOM 23 O GLU A 9 -8.828 -5.098 -13.387 1.00 0.00 O ATOM 24 CB GLU A 9 -6.002 -4.181 -15.150 1.00 0.00 C ATOM 25 CG GLU A 9 -4.744 -4.998 -14.850 1.00 0.00 C ATOM 26 CD GLU A 9 -3.883 -4.254 -13.828 1.00 0.00 C ATOM 27 OE1 GLU A 9 -4.447 -3.713 -12.891 1.00 0.00 O ATOM 28 OE2 GLU A 9 -2.676 -4.238 -13.998 1.00 0.00 O ATOM 0 H GLU A 9 -7.209 -4.517 -17.209 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.000 -6.075 -14.712 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.904 -3.684 -16.115 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.129 -3.400 -14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.019 -5.980 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.178 -5.163 -15.767 1.00 0.00 H new ATOM 35 N PRO A 10 -8.790 -3.316 -14.722 1.00 0.00 N ATOM 36 CA PRO A 10 -9.892 -2.636 -13.995 1.00 0.00 C ATOM 37 C PRO A 10 -11.234 -3.306 -14.301 1.00 0.00 C ATOM 38 O PRO A 10 -11.958 -3.698 -13.409 1.00 0.00 O ATOM 39 CB PRO A 10 -9.859 -1.211 -14.540 1.00 0.00 C ATOM 40 CG PRO A 10 -9.228 -1.326 -15.892 1.00 0.00 C ATOM 41 CD PRO A 10 -8.298 -2.511 -15.851 1.00 0.00 C ATOM 0 HA PRO A 10 -9.775 -2.676 -12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.863 -0.791 -14.608 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.282 -0.553 -13.890 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.989 -1.460 -16.661 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.681 -0.416 -16.140 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.328 -3.073 -16.784 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.264 -2.201 -15.699 1.00 0.00 H new ATOM 49 N ASP A 11 -11.569 -3.441 -15.560 1.00 0.00 N ATOM 50 CA ASP A 11 -12.867 -4.084 -15.940 1.00 0.00 C ATOM 51 C ASP A 11 -14.044 -3.283 -15.375 1.00 0.00 C ATOM 52 O ASP A 11 -14.667 -2.505 -16.069 1.00 0.00 O ATOM 53 CB ASP A 11 -12.827 -5.490 -15.332 1.00 0.00 C ATOM 54 CG ASP A 11 -12.778 -6.530 -16.453 1.00 0.00 C ATOM 55 OD1 ASP A 11 -13.379 -6.286 -17.486 1.00 0.00 O ATOM 56 OD2 ASP A 11 -12.141 -7.552 -16.259 1.00 0.00 O ATOM 0 H ASP A 11 -10.997 -3.132 -16.346 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.999 -4.121 -17.021 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.955 -5.594 -14.687 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.706 -5.653 -14.708 1.00 0.00 H new ATOM 61 N ASN A 12 -14.350 -3.464 -14.120 1.00 0.00 N ATOM 62 CA ASN A 12 -15.485 -2.712 -13.511 1.00 0.00 C ATOM 63 C ASN A 12 -15.208 -2.453 -12.027 1.00 0.00 C ATOM 64 O ASN A 12 -16.111 -2.233 -11.245 1.00 0.00 O ATOM 65 CB ASN A 12 -16.700 -3.625 -13.678 1.00 0.00 C ATOM 66 CG ASN A 12 -17.978 -2.786 -13.651 1.00 0.00 C ATOM 67 OD1 ASN A 12 -18.761 -2.819 -14.579 1.00 0.00 O ATOM 68 ND2 ASN A 12 -18.224 -2.027 -12.618 1.00 0.00 N ATOM 0 H ASN A 12 -13.863 -4.100 -13.489 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.638 -1.741 -13.981 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.631 -4.171 -14.619 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.723 -4.367 -12.880 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.073 -1.462 -12.591 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.567 -1.999 -11.838 1.00 0.00 H new ATOM 75 N VAL A 13 -13.964 -2.480 -11.634 1.00 0.00 N ATOM 76 CA VAL A 13 -13.628 -2.240 -10.202 1.00 0.00 C ATOM 77 C VAL A 13 -13.680 -0.730 -9.890 1.00 0.00 C ATOM 78 O VAL A 13 -14.417 -0.311 -9.020 1.00 0.00 O ATOM 79 CB VAL A 13 -12.215 -2.837 -10.036 1.00 0.00 C ATOM 80 CG1 VAL A 13 -11.425 -2.111 -8.938 1.00 0.00 C ATOM 81 CG2 VAL A 13 -12.344 -4.315 -9.659 1.00 0.00 C ATOM 0 H VAL A 13 -13.165 -2.658 -12.243 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.330 -2.700 -9.506 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.679 -2.720 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.434 -2.557 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.326 -1.057 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.953 -2.203 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.351 -4.748 -9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.895 -4.405 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.878 -4.846 -10.447 1.00 0.00 H new ATOM 91 N PRO A 14 -12.897 0.041 -10.603 1.00 0.00 N ATOM 92 CA PRO A 14 -12.874 1.506 -10.374 1.00 0.00 C ATOM 93 C PRO A 14 -14.136 2.151 -10.950 1.00 0.00 C ATOM 94 O PRO A 14 -14.848 2.864 -10.270 1.00 0.00 O ATOM 95 CB PRO A 14 -11.636 1.971 -11.133 1.00 0.00 C ATOM 96 CG PRO A 14 -11.415 0.938 -12.192 1.00 0.00 C ATOM 97 CD PRO A 14 -11.974 -0.361 -11.673 1.00 0.00 C ATOM 0 HA PRO A 14 -12.845 1.774 -9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.790 2.957 -11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.774 2.047 -10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.910 1.226 -13.119 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.353 0.838 -12.415 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.491 -0.913 -12.458 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.185 -1.010 -11.294 1.00 0.00 H new ATOM 105 N MET A 15 -14.417 1.904 -12.200 1.00 0.00 N ATOM 106 CA MET A 15 -15.630 2.500 -12.828 1.00 0.00 C ATOM 107 C MET A 15 -15.666 4.013 -12.584 1.00 0.00 C ATOM 108 O MET A 15 -14.641 4.659 -12.496 1.00 0.00 O ATOM 109 CB MET A 15 -16.810 1.813 -12.137 1.00 0.00 C ATOM 110 CG MET A 15 -17.887 1.486 -13.172 1.00 0.00 C ATOM 111 SD MET A 15 -19.437 1.085 -12.326 1.00 0.00 S ATOM 112 CE MET A 15 -20.353 0.531 -13.784 1.00 0.00 C ATOM 0 H MET A 15 -13.857 1.313 -12.815 1.00 0.00 H new ATOM 0 HA MET A 15 -15.650 2.355 -13.908 1.00 0.00 H new ATOM 0 HB2 MET A 15 -16.475 0.900 -11.644 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.220 2.462 -11.363 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.034 2.335 -13.840 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.570 0.646 -13.790 1.00 0.00 H new ATOM 0 HE1 MET A 15 -21.346 0.196 -13.484 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.446 1.356 -14.490 1.00 0.00 H new ATOM 0 HE3 MET A 15 -19.820 -0.294 -14.257 1.00 0.00 H new ATOM 122 N ASP A 16 -16.838 4.585 -12.473 1.00 0.00 N ATOM 123 CA ASP A 16 -16.936 6.056 -12.235 1.00 0.00 C ATOM 124 C ASP A 16 -16.229 6.817 -13.358 1.00 0.00 C ATOM 125 O ASP A 16 -15.205 7.439 -13.154 1.00 0.00 O ATOM 126 CB ASP A 16 -16.238 6.298 -10.893 1.00 0.00 C ATOM 127 CG ASP A 16 -17.234 6.904 -9.902 1.00 0.00 C ATOM 128 OD1 ASP A 16 -17.944 6.144 -9.265 1.00 0.00 O ATOM 129 OD2 ASP A 16 -17.271 8.119 -9.797 1.00 0.00 O ATOM 0 H ASP A 16 -17.731 4.096 -12.537 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.969 6.402 -12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.844 5.360 -10.501 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.389 6.969 -11.028 1.00 0.00 H new ATOM 134 N MET A 17 -16.770 6.769 -14.544 1.00 0.00 N ATOM 135 CA MET A 17 -16.134 7.486 -15.689 1.00 0.00 C ATOM 136 C MET A 17 -15.810 8.934 -15.304 1.00 0.00 C ATOM 137 O MET A 17 -14.897 9.535 -15.833 1.00 0.00 O ATOM 138 CB MET A 17 -17.179 7.452 -16.805 1.00 0.00 C ATOM 139 CG MET A 17 -18.440 8.188 -16.347 1.00 0.00 C ATOM 140 SD MET A 17 -19.750 7.961 -17.575 1.00 0.00 S ATOM 141 CE MET A 17 -21.056 8.834 -16.677 1.00 0.00 C ATOM 0 H MET A 17 -17.626 6.264 -14.772 1.00 0.00 H new ATOM 0 HA MET A 17 -15.194 7.023 -15.991 1.00 0.00 H new ATOM 0 HB2 MET A 17 -16.780 7.919 -17.706 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.420 6.420 -17.061 1.00 0.00 H new ATOM 0 HG2 MET A 17 -18.765 7.807 -15.379 1.00 0.00 H new ATOM 0 HG3 MET A 17 -18.228 9.249 -16.218 1.00 0.00 H new ATOM 0 HE1 MET A 17 -21.975 8.817 -17.263 1.00 0.00 H new ATOM 0 HE2 MET A 17 -21.228 8.344 -15.719 1.00 0.00 H new ATOM 0 HE3 MET A 17 -20.753 9.867 -16.507 1.00 0.00 H new ATOM 151 N SER A 18 -16.548 9.495 -14.383 1.00 0.00 N ATOM 152 CA SER A 18 -16.286 10.903 -13.957 1.00 0.00 C ATOM 153 C SER A 18 -16.353 11.848 -15.166 1.00 0.00 C ATOM 154 O SER A 18 -16.347 11.406 -16.297 1.00 0.00 O ATOM 155 CB SER A 18 -14.876 10.892 -13.363 1.00 0.00 C ATOM 156 OG SER A 18 -14.965 10.953 -11.946 1.00 0.00 O ATOM 0 H SER A 18 -17.324 9.038 -13.905 1.00 0.00 H new ATOM 0 HA SER A 18 -17.025 11.255 -13.237 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.347 9.989 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.303 11.739 -13.740 1.00 0.00 H new ATOM 0 HG SER A 18 -14.128 10.630 -11.551 1.00 0.00 H new ATOM 162 N PRO A 19 -16.422 13.129 -14.888 1.00 0.00 N ATOM 163 CA PRO A 19 -16.496 14.137 -15.973 1.00 0.00 C ATOM 164 C PRO A 19 -15.115 14.403 -16.596 1.00 0.00 C ATOM 165 O PRO A 19 -14.716 15.538 -16.761 1.00 0.00 O ATOM 166 CB PRO A 19 -17.016 15.383 -15.265 1.00 0.00 C ATOM 167 CG PRO A 19 -16.622 15.223 -13.829 1.00 0.00 C ATOM 168 CD PRO A 19 -16.449 13.748 -13.557 1.00 0.00 C ATOM 0 HA PRO A 19 -17.129 13.813 -16.799 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.582 16.287 -15.692 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.098 15.470 -15.368 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.695 15.760 -13.626 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.385 15.645 -13.175 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.528 13.551 -13.009 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.268 13.357 -12.954 1.00 0.00 H new ATOM 176 N LYS A 20 -14.400 13.368 -16.965 1.00 0.00 N ATOM 177 CA LYS A 20 -13.054 13.541 -17.605 1.00 0.00 C ATOM 178 C LYS A 20 -12.063 14.280 -16.691 1.00 0.00 C ATOM 179 O LYS A 20 -11.132 13.693 -16.178 1.00 0.00 O ATOM 180 CB LYS A 20 -13.315 14.346 -18.882 1.00 0.00 C ATOM 181 CG LYS A 20 -12.033 14.412 -19.715 1.00 0.00 C ATOM 182 CD LYS A 20 -11.298 15.721 -19.418 1.00 0.00 C ATOM 183 CE LYS A 20 -10.642 16.240 -20.699 1.00 0.00 C ATOM 184 NZ LYS A 20 -9.185 15.996 -20.510 1.00 0.00 N ATOM 0 H LYS A 20 -14.694 12.398 -16.849 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.595 12.574 -17.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.114 13.882 -19.460 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.649 15.352 -18.628 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.392 13.562 -19.483 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.273 14.350 -20.776 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.996 16.462 -19.028 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.542 15.560 -18.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.020 15.715 -21.577 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.849 17.300 -20.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.666 16.326 -21.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.852 16.513 -19.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.018 14.978 -20.378 1.00 0.00 H new ATOM 198 N ALA A 21 -12.239 15.564 -16.503 1.00 0.00 N ATOM 199 CA ALA A 21 -11.295 16.348 -15.644 1.00 0.00 C ATOM 200 C ALA A 21 -10.981 15.606 -14.341 1.00 0.00 C ATOM 201 O ALA A 21 -9.836 15.448 -13.965 1.00 0.00 O ATOM 202 CB ALA A 21 -12.030 17.655 -15.348 1.00 0.00 C ATOM 0 H ALA A 21 -13.000 16.107 -16.910 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.338 16.509 -16.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.405 18.290 -14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.247 18.170 -16.284 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.963 17.438 -14.828 1.00 0.00 H new ATOM 208 N LEU A 22 -11.986 15.148 -13.651 1.00 0.00 N ATOM 209 CA LEU A 22 -11.740 14.415 -12.376 1.00 0.00 C ATOM 210 C LEU A 22 -11.358 12.972 -12.683 1.00 0.00 C ATOM 211 O LEU A 22 -10.524 12.379 -12.029 1.00 0.00 O ATOM 212 CB LEU A 22 -13.068 14.467 -11.621 1.00 0.00 C ATOM 213 CG LEU A 22 -13.250 15.853 -11.004 1.00 0.00 C ATOM 214 CD1 LEU A 22 -13.518 16.864 -12.117 1.00 0.00 C ATOM 215 CD2 LEU A 22 -14.436 15.831 -10.039 1.00 0.00 C ATOM 0 H LEU A 22 -12.967 15.248 -13.913 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.929 14.851 -11.793 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.893 14.248 -12.299 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.085 13.705 -10.842 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.348 16.134 -10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -13.649 17.856 -11.684 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.674 16.878 -12.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -14.422 16.581 -12.656 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.565 16.820 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.340 15.553 -10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.249 15.104 -9.249 1.00 0.00 H new ATOM 227 N GLN A 23 -11.971 12.405 -13.682 1.00 0.00 N ATOM 228 CA GLN A 23 -11.657 10.992 -14.052 1.00 0.00 C ATOM 229 C GLN A 23 -10.143 10.805 -14.206 1.00 0.00 C ATOM 230 O GLN A 23 -9.577 9.841 -13.731 1.00 0.00 O ATOM 231 CB GLN A 23 -12.359 10.767 -15.391 1.00 0.00 C ATOM 232 CG GLN A 23 -12.237 9.295 -15.788 1.00 0.00 C ATOM 233 CD GLN A 23 -12.519 9.142 -17.283 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.073 10.028 -17.902 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.157 8.047 -17.895 1.00 0.00 N ATOM 0 H GLN A 23 -12.678 12.857 -14.262 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.989 10.286 -13.291 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.409 11.049 -15.315 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.914 11.400 -16.158 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.237 8.927 -15.557 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.939 8.693 -15.212 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.692 7.303 -17.376 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.339 7.936 -18.892 1.00 0.00 H new ATOM 244 N GLN A 24 -9.487 11.719 -14.865 1.00 0.00 N ATOM 245 CA GLN A 24 -8.013 11.592 -15.050 1.00 0.00 C ATOM 246 C GLN A 24 -7.281 11.952 -13.753 1.00 0.00 C ATOM 247 O GLN A 24 -6.441 11.214 -13.277 1.00 0.00 O ATOM 248 CB GLN A 24 -7.664 12.589 -16.156 1.00 0.00 C ATOM 249 CG GLN A 24 -6.241 12.326 -16.652 1.00 0.00 C ATOM 250 CD GLN A 24 -5.291 13.365 -16.054 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.693 14.471 -15.754 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.038 13.054 -15.865 1.00 0.00 N ATOM 0 H GLN A 24 -9.907 12.549 -15.284 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.717 10.575 -15.309 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.371 12.495 -16.981 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.746 13.609 -15.780 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.925 11.322 -16.367 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.210 12.373 -17.741 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.699 12.125 -16.117 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.397 13.740 -15.466 1.00 0.00 H new ATOM 261 N LYS A 25 -7.594 13.081 -13.178 1.00 0.00 N ATOM 262 CA LYS A 25 -6.916 13.487 -11.914 1.00 0.00 C ATOM 263 C LYS A 25 -7.033 12.375 -10.868 1.00 0.00 C ATOM 264 O LYS A 25 -6.126 12.142 -10.094 1.00 0.00 O ATOM 265 CB LYS A 25 -7.660 14.740 -11.451 1.00 0.00 C ATOM 266 CG LYS A 25 -6.856 15.983 -11.837 1.00 0.00 C ATOM 267 CD LYS A 25 -7.769 16.979 -12.554 1.00 0.00 C ATOM 268 CE LYS A 25 -7.490 18.393 -12.038 1.00 0.00 C ATOM 269 NZ LYS A 25 -8.222 19.293 -12.972 1.00 0.00 N ATOM 0 H LYS A 25 -8.290 13.740 -13.529 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.852 13.674 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.649 14.778 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.808 14.710 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.427 16.443 -10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.024 15.705 -12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.600 16.933 -13.630 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.814 16.718 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.842 18.516 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.422 18.609 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.079 20.282 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.861 19.158 -13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.237 19.068 -12.947 1.00 0.00 H new ATOM 283 N ILE A 26 -8.142 11.689 -10.838 1.00 0.00 N ATOM 284 CA ILE A 26 -8.315 10.594 -9.841 1.00 0.00 C ATOM 285 C ILE A 26 -7.580 9.333 -10.304 1.00 0.00 C ATOM 286 O ILE A 26 -6.870 8.703 -9.546 1.00 0.00 O ATOM 287 CB ILE A 26 -9.821 10.346 -9.781 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.524 11.605 -9.269 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.110 9.181 -8.833 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.036 11.455 -9.451 1.00 0.00 C ATOM 0 H ILE A 26 -8.936 11.839 -11.460 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.907 10.857 -8.865 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.189 10.103 -10.778 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.288 11.764 -8.217 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.167 12.480 -9.812 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.185 9.004 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.609 8.284 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.743 9.424 -7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.537 12.352 -9.086 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.263 11.317 -10.508 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.386 10.590 -8.888 1.00 0.00 H new ATOM 302 N HIS A 27 -7.744 8.962 -11.544 1.00 0.00 N ATOM 303 CA HIS A 27 -7.056 7.741 -12.054 1.00 0.00 C ATOM 304 C HIS A 27 -5.537 7.913 -11.966 1.00 0.00 C ATOM 305 O HIS A 27 -4.795 6.951 -11.944 1.00 0.00 O ATOM 306 CB HIS A 27 -7.498 7.617 -13.513 1.00 0.00 C ATOM 307 CG HIS A 27 -7.059 6.287 -14.061 1.00 0.00 C ATOM 308 ND1 HIS A 27 -6.271 5.409 -13.332 1.00 0.00 N ATOM 309 CD2 HIS A 27 -7.288 5.671 -15.266 1.00 0.00 C ATOM 310 CE1 HIS A 27 -6.057 4.324 -14.098 1.00 0.00 C ATOM 311 NE2 HIS A 27 -6.655 4.432 -15.288 1.00 0.00 N ATOM 0 H HIS A 27 -8.324 9.451 -12.226 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.309 6.853 -11.475 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.582 7.712 -13.585 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.068 8.425 -14.104 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.918 5.559 -12.387 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.871 6.085 -16.075 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.473 3.470 -13.789 1.00 0.00 H new ATOM 319 N GLU A 28 -5.070 9.130 -11.916 1.00 0.00 N ATOM 320 CA GLU A 28 -3.599 9.361 -11.830 1.00 0.00 C ATOM 321 C GLU A 28 -3.110 9.139 -10.396 1.00 0.00 C ATOM 322 O GLU A 28 -2.184 8.390 -10.155 1.00 0.00 O ATOM 323 CB GLU A 28 -3.403 10.820 -12.244 1.00 0.00 C ATOM 324 CG GLU A 28 -2.463 10.887 -13.448 1.00 0.00 C ATOM 325 CD GLU A 28 -3.151 10.276 -14.669 1.00 0.00 C ATOM 326 OE1 GLU A 28 -3.974 9.395 -14.481 1.00 0.00 O ATOM 327 OE2 GLU A 28 -2.845 10.699 -15.772 1.00 0.00 O ATOM 0 H GLU A 28 -5.642 9.974 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.036 8.677 -12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.364 11.270 -12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.989 11.392 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.190 11.922 -13.652 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.539 10.350 -13.232 1.00 0.00 H new ATOM 334 N LEU A 29 -3.725 9.784 -9.442 1.00 0.00 N ATOM 335 CA LEU A 29 -3.294 9.610 -8.026 1.00 0.00 C ATOM 336 C LEU A 29 -3.773 8.259 -7.489 1.00 0.00 C ATOM 337 O LEU A 29 -3.100 7.616 -6.708 1.00 0.00 O ATOM 338 CB LEU A 29 -3.960 10.756 -7.265 1.00 0.00 C ATOM 339 CG LEU A 29 -3.441 12.093 -7.799 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.532 13.156 -7.660 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.211 12.519 -6.993 1.00 0.00 C ATOM 0 H LEU A 29 -4.507 10.424 -9.582 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.209 9.627 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.043 10.702 -7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.748 10.671 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.170 11.985 -8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.163 14.108 -8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.410 12.853 -8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.802 13.265 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.840 13.471 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.484 12.628 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.433 11.762 -7.089 1.00 0.00 H new ATOM 353 N GLU A 30 -4.933 7.823 -7.900 1.00 0.00 N ATOM 354 CA GLU A 30 -5.454 6.514 -7.412 1.00 0.00 C ATOM 355 C GLU A 30 -4.596 5.367 -7.953 1.00 0.00 C ATOM 356 O GLU A 30 -4.347 4.392 -7.272 1.00 0.00 O ATOM 357 CB GLU A 30 -6.878 6.425 -7.963 1.00 0.00 C ATOM 358 CG GLU A 30 -7.577 5.198 -7.376 1.00 0.00 C ATOM 359 CD GLU A 30 -8.614 4.675 -8.371 1.00 0.00 C ATOM 360 OE1 GLU A 30 -9.422 5.469 -8.826 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.584 3.491 -8.663 1.00 0.00 O ATOM 0 H GLU A 30 -5.542 8.317 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.432 6.440 -6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.434 7.328 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.855 6.358 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.845 4.421 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.060 5.458 -6.434 1.00 0.00 H new ATOM 368 N GLY A 31 -4.141 5.476 -9.172 1.00 0.00 N ATOM 369 CA GLY A 31 -3.301 4.391 -9.753 1.00 0.00 C ATOM 370 C GLY A 31 -1.880 4.486 -9.195 1.00 0.00 C ATOM 371 O GLY A 31 -1.185 3.499 -9.067 1.00 0.00 O ATOM 0 H GLY A 31 -4.315 6.269 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.731 3.418 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.282 4.475 -10.840 1.00 0.00 H new ATOM 375 N LEU A 32 -1.443 5.670 -8.861 1.00 0.00 N ATOM 376 CA LEU A 32 -0.065 5.828 -8.311 1.00 0.00 C ATOM 377 C LEU A 32 0.069 5.064 -6.990 1.00 0.00 C ATOM 378 O LEU A 32 1.117 4.536 -6.672 1.00 0.00 O ATOM 379 CB LEU A 32 0.099 7.331 -8.081 1.00 0.00 C ATOM 380 CG LEU A 32 1.581 7.699 -8.145 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.919 8.220 -9.543 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.880 8.786 -7.110 1.00 0.00 C ATOM 0 H LEU A 32 -1.979 6.534 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 32 0.696 5.433 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.458 7.888 -8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.314 7.608 -7.111 1.00 0.00 H new ATOM 0 HG LEU A 32 2.184 6.816 -7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.976 8.482 -9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.705 7.447 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.317 9.103 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.937 9.050 -7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.277 9.668 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.640 8.415 -6.113 1.00 0.00 H new ATOM 394 N MET A 33 -0.982 5.003 -6.220 1.00 0.00 N ATOM 395 CA MET A 33 -0.912 4.275 -4.920 1.00 0.00 C ATOM 396 C MET A 33 -0.463 2.828 -5.147 1.00 0.00 C ATOM 397 O MET A 33 0.171 2.226 -4.303 1.00 0.00 O ATOM 398 CB MET A 33 -2.338 4.312 -4.369 1.00 0.00 C ATOM 399 CG MET A 33 -2.494 5.523 -3.446 1.00 0.00 C ATOM 400 SD MET A 33 -4.058 6.360 -3.807 1.00 0.00 S ATOM 401 CE MET A 33 -5.156 5.001 -3.335 1.00 0.00 C ATOM 0 H MET A 33 -1.886 5.425 -6.434 1.00 0.00 H new ATOM 0 HA MET A 33 -0.196 4.726 -4.232 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.055 4.370 -5.188 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.553 3.394 -3.822 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.472 5.204 -2.404 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.660 6.211 -3.587 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.192 5.297 -3.497 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.930 4.124 -3.941 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.008 4.762 -2.282 1.00 0.00 H new ATOM 411 N MET A 34 -0.789 2.266 -6.278 1.00 0.00 N ATOM 412 CA MET A 34 -0.381 0.858 -6.555 1.00 0.00 C ATOM 413 C MET A 34 1.114 0.792 -6.879 1.00 0.00 C ATOM 414 O MET A 34 1.780 -0.180 -6.582 1.00 0.00 O ATOM 415 CB MET A 34 -1.212 0.438 -7.768 1.00 0.00 C ATOM 416 CG MET A 34 -1.376 -1.083 -7.771 1.00 0.00 C ATOM 417 SD MET A 34 -3.057 -1.508 -8.287 1.00 0.00 S ATOM 418 CE MET A 34 -3.901 -0.969 -6.779 1.00 0.00 C ATOM 0 H MET A 34 -1.319 2.719 -7.022 1.00 0.00 H new ATOM 0 HA MET A 34 -0.548 0.204 -5.699 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.189 0.920 -7.737 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.725 0.764 -8.687 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.651 -1.536 -8.447 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.177 -1.483 -6.777 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.939 -1.302 -6.804 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.403 -1.399 -5.910 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.870 0.119 -6.714 1.00 0.00 H new ATOM 428 N GLN A 35 1.645 1.817 -7.488 1.00 0.00 N ATOM 429 CA GLN A 35 3.096 1.811 -7.833 1.00 0.00 C ATOM 430 C GLN A 35 3.943 1.599 -6.573 1.00 0.00 C ATOM 431 O GLN A 35 4.461 0.527 -6.335 1.00 0.00 O ATOM 432 CB GLN A 35 3.361 3.192 -8.439 1.00 0.00 C ATOM 433 CG GLN A 35 4.857 3.352 -8.727 1.00 0.00 C ATOM 434 CD GLN A 35 5.090 3.326 -10.238 1.00 0.00 C ATOM 435 OE1 GLN A 35 5.994 2.667 -10.713 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.307 4.019 -11.019 1.00 0.00 N ATOM 0 H GLN A 35 1.137 2.658 -7.762 1.00 0.00 H new ATOM 0 HA GLN A 35 3.355 1.007 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.789 3.312 -9.359 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.028 3.971 -7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.221 4.290 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.418 2.550 -8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.548 4.572 -10.620 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.454 4.008 -12.028 1.00 0.00 H new ATOM 445 N HIS A 36 4.092 2.615 -5.767 1.00 0.00 N ATOM 446 CA HIS A 36 4.908 2.470 -4.527 1.00 0.00 C ATOM 447 C HIS A 36 4.406 1.285 -3.693 1.00 0.00 C ATOM 448 O HIS A 36 5.176 0.445 -3.270 1.00 0.00 O ATOM 449 CB HIS A 36 4.712 3.785 -3.774 1.00 0.00 C ATOM 450 CG HIS A 36 5.653 4.821 -4.325 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.291 6.153 -4.458 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.944 4.736 -4.784 1.00 0.00 C ATOM 453 CE1 HIS A 36 6.344 6.809 -4.980 1.00 0.00 C ATOM 454 NE2 HIS A 36 7.378 5.993 -5.197 1.00 0.00 N ATOM 0 H HIS A 36 3.684 3.539 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 36 5.959 2.276 -4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.681 4.124 -3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.897 3.639 -2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.533 3.832 -4.819 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.351 7.867 -5.197 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.290 6.238 -5.583 1.00 0.00 H new ATOM 462 N ALA A 37 3.122 1.206 -3.458 1.00 0.00 N ATOM 463 CA ALA A 37 2.571 0.069 -2.657 1.00 0.00 C ATOM 464 C ALA A 37 3.120 -1.262 -3.186 1.00 0.00 C ATOM 465 O ALA A 37 3.408 -2.170 -2.432 1.00 0.00 O ATOM 466 CB ALA A 37 1.058 0.142 -2.859 1.00 0.00 C ATOM 0 H ALA A 37 2.430 1.879 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 37 2.845 0.131 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.577 -0.662 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.689 1.103 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.827 0.037 -3.919 1.00 0.00 H new ATOM 472 N GLN A 38 3.274 -1.378 -4.480 1.00 0.00 N ATOM 473 CA GLN A 38 3.815 -2.642 -5.056 1.00 0.00 C ATOM 474 C GLN A 38 5.260 -2.836 -4.598 1.00 0.00 C ATOM 475 O GLN A 38 5.700 -3.938 -4.337 1.00 0.00 O ATOM 476 CB GLN A 38 3.752 -2.452 -6.573 1.00 0.00 C ATOM 477 CG GLN A 38 2.620 -3.305 -7.148 1.00 0.00 C ATOM 478 CD GLN A 38 3.110 -4.021 -8.408 1.00 0.00 C ATOM 479 OE1 GLN A 38 3.897 -4.944 -8.330 1.00 0.00 O ATOM 480 NE2 GLN A 38 2.674 -3.633 -9.576 1.00 0.00 N ATOM 0 H GLN A 38 3.048 -0.652 -5.160 1.00 0.00 H new ATOM 0 HA GLN A 38 3.252 -3.520 -4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.587 -1.401 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.702 -2.737 -7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.288 -4.034 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.761 -2.677 -7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.014 -2.859 -9.642 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.994 -4.104 -10.422 1.00 0.00 H new ATOM 489 N ASN A 39 5.997 -1.764 -4.483 1.00 0.00 N ATOM 490 CA ASN A 39 7.411 -1.875 -4.023 1.00 0.00 C ATOM 491 C ASN A 39 7.474 -1.705 -2.500 1.00 0.00 C ATOM 492 O ASN A 39 8.507 -1.395 -1.942 1.00 0.00 O ATOM 493 CB ASN A 39 8.147 -0.732 -4.723 1.00 0.00 C ATOM 494 CG ASN A 39 8.106 -0.948 -6.237 1.00 0.00 C ATOM 495 OD1 ASN A 39 7.846 -2.042 -6.699 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.353 0.055 -7.035 1.00 0.00 N ATOM 0 H ASN A 39 5.681 -0.816 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 39 7.853 -2.843 -4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.685 0.222 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.180 -0.687 -4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.328 -0.079 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.571 0.973 -6.648 1.00 0.00 H new ATOM 503 N LEU A 40 6.370 -1.908 -1.829 1.00 0.00 N ATOM 504 CA LEU A 40 6.347 -1.765 -0.347 1.00 0.00 C ATOM 505 C LEU A 40 6.853 -0.384 0.073 1.00 0.00 C ATOM 506 O LEU A 40 7.316 -0.193 1.180 1.00 0.00 O ATOM 507 CB LEU A 40 7.266 -2.867 0.181 1.00 0.00 C ATOM 508 CG LEU A 40 6.555 -4.216 0.074 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.727 -4.774 -1.340 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.162 -5.193 1.083 1.00 0.00 C ATOM 0 H LEU A 40 5.478 -2.169 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 40 5.337 -1.857 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.194 -2.886 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.534 -2.666 1.218 1.00 0.00 H new ATOM 0 HG LEU A 40 5.494 -4.084 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.220 -5.736 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.296 -4.079 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.788 -4.905 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.656 -6.155 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.223 -5.324 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.040 -4.797 2.091 1.00 0.00 H new ATOM 522 N GLU A 41 6.753 0.586 -0.792 1.00 0.00 N ATOM 523 CA GLU A 41 7.211 1.955 -0.423 1.00 0.00 C ATOM 524 C GLU A 41 6.301 2.509 0.672 1.00 0.00 C ATOM 525 O GLU A 41 6.754 3.007 1.683 1.00 0.00 O ATOM 526 CB GLU A 41 7.083 2.781 -1.703 1.00 0.00 C ATOM 527 CG GLU A 41 8.467 3.267 -2.139 1.00 0.00 C ATOM 528 CD GLU A 41 9.318 2.071 -2.568 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.021 0.971 -2.132 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.251 2.275 -3.326 1.00 0.00 O ATOM 0 H GLU A 41 6.376 0.491 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 41 8.232 1.971 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.632 2.180 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.424 3.632 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.373 3.974 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.953 3.797 -1.319 1.00 0.00 H new ATOM 537 N PHE A 42 5.016 2.406 0.477 1.00 0.00 N ATOM 538 CA PHE A 42 4.051 2.904 1.499 1.00 0.00 C ATOM 539 C PHE A 42 4.404 4.322 1.943 1.00 0.00 C ATOM 540 O PHE A 42 5.312 4.932 1.423 1.00 0.00 O ATOM 541 CB PHE A 42 4.177 1.932 2.672 1.00 0.00 C ATOM 542 CG PHE A 42 3.272 0.744 2.452 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.930 0.939 2.056 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.766 -0.565 2.650 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.083 -0.174 1.856 1.00 0.00 C ATOM 546 CE2 PHE A 42 2.919 -1.678 2.452 1.00 0.00 C ATOM 547 CZ PHE A 42 1.576 -1.481 2.055 1.00 0.00 C ATOM 0 H PHE A 42 4.589 1.995 -0.353 1.00 0.00 H new ATOM 0 HA PHE A 42 3.036 2.948 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.210 1.600 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.913 2.435 3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.551 1.939 1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.792 -0.715 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.058 -0.024 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.297 -2.678 2.604 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.927 -2.331 1.904 1.00 0.00 H new ATOM 557 N GLU A 43 3.658 4.839 2.891 1.00 0.00 N ATOM 558 CA GLU A 43 3.865 6.225 3.412 1.00 0.00 C ATOM 559 C GLU A 43 3.555 7.229 2.310 1.00 0.00 C ATOM 560 O GLU A 43 2.647 8.027 2.410 1.00 0.00 O ATOM 561 CB GLU A 43 5.332 6.317 3.852 1.00 0.00 C ATOM 562 CG GLU A 43 5.631 7.747 4.300 1.00 0.00 C ATOM 563 CD GLU A 43 7.141 7.925 4.468 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.848 7.782 3.485 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.565 8.204 5.578 1.00 0.00 O ATOM 0 H GLU A 43 2.890 4.339 3.338 1.00 0.00 H new ATOM 0 HA GLU A 43 3.208 6.447 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.524 5.620 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.990 6.035 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.250 8.456 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.122 7.958 5.241 1.00 0.00 H new ATOM 572 N GLU A 44 4.298 7.174 1.256 1.00 0.00 N ATOM 573 CA GLU A 44 4.059 8.097 0.114 1.00 0.00 C ATOM 574 C GLU A 44 2.934 7.555 -0.774 1.00 0.00 C ATOM 575 O GLU A 44 2.192 8.304 -1.378 1.00 0.00 O ATOM 576 CB GLU A 44 5.387 8.143 -0.651 1.00 0.00 C ATOM 577 CG GLU A 44 5.691 6.769 -1.256 1.00 0.00 C ATOM 578 CD GLU A 44 6.949 6.862 -2.121 1.00 0.00 C ATOM 579 OE1 GLU A 44 7.173 7.917 -2.692 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.666 5.878 -2.197 1.00 0.00 O ATOM 0 H GLU A 44 5.073 6.523 1.128 1.00 0.00 H new ATOM 0 HA GLU A 44 3.751 9.090 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.336 8.894 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.193 8.440 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.835 6.034 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.847 6.429 -1.857 1.00 0.00 H new ATOM 587 N ALA A 45 2.811 6.255 -0.868 1.00 0.00 N ATOM 588 CA ALA A 45 1.743 5.668 -1.730 1.00 0.00 C ATOM 589 C ALA A 45 0.392 5.666 -1.013 1.00 0.00 C ATOM 590 O ALA A 45 -0.626 5.994 -1.588 1.00 0.00 O ATOM 591 CB ALA A 45 2.200 4.235 -1.998 1.00 0.00 C ATOM 0 H ALA A 45 3.402 5.578 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 45 1.605 6.242 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.467 3.731 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.165 4.250 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.295 3.701 -1.053 1.00 0.00 H new ATOM 597 N ALA A 46 0.368 5.280 0.233 1.00 0.00 N ATOM 598 CA ALA A 46 -0.927 5.239 0.969 1.00 0.00 C ATOM 599 C ALA A 46 -1.387 6.649 1.345 1.00 0.00 C ATOM 600 O ALA A 46 -2.566 6.937 1.364 1.00 0.00 O ATOM 601 CB ALA A 46 -0.642 4.403 2.214 1.00 0.00 C ATOM 0 H ALA A 46 1.185 4.992 0.771 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.729 4.813 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.548 4.323 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.315 3.407 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.141 4.881 2.802 1.00 0.00 H new ATOM 607 N GLN A 47 -0.476 7.537 1.639 1.00 0.00 N ATOM 608 CA GLN A 47 -0.891 8.923 2.004 1.00 0.00 C ATOM 609 C GLN A 47 -1.781 9.508 0.906 1.00 0.00 C ATOM 610 O GLN A 47 -2.587 10.384 1.145 1.00 0.00 O ATOM 611 CB GLN A 47 0.408 9.719 2.120 1.00 0.00 C ATOM 612 CG GLN A 47 0.903 9.682 3.567 1.00 0.00 C ATOM 613 CD GLN A 47 2.171 10.527 3.696 1.00 0.00 C ATOM 614 OE1 GLN A 47 2.814 10.832 2.711 1.00 0.00 O ATOM 615 NE2 GLN A 47 2.560 10.922 4.877 1.00 0.00 N ATOM 0 H GLN A 47 0.529 7.366 1.643 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.463 8.950 2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.164 9.300 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.244 10.750 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.131 10.062 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.107 8.654 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.020 10.666 5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.404 11.487 4.974 1.00 0.00 H new ATOM 624 N ILE A 48 -1.639 9.028 -0.300 1.00 0.00 N ATOM 625 CA ILE A 48 -2.475 9.556 -1.415 1.00 0.00 C ATOM 626 C ILE A 48 -3.955 9.272 -1.147 1.00 0.00 C ATOM 627 O ILE A 48 -4.825 9.977 -1.617 1.00 0.00 O ATOM 628 CB ILE A 48 -1.999 8.804 -2.657 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.526 9.132 -2.916 1.00 0.00 C ATOM 630 CG2 ILE A 48 -2.835 9.232 -3.865 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.050 8.393 -4.168 1.00 0.00 C ATOM 0 H ILE A 48 -0.981 8.294 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.376 10.635 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.112 7.732 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.399 10.207 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.079 8.841 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.495 8.696 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.884 9.002 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.722 10.304 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.999 8.627 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.162 7.319 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.647 8.706 -5.024 1.00 0.00 H new ATOM 643 N ARG A 49 -4.250 8.247 -0.393 1.00 0.00 N ATOM 644 CA ARG A 49 -5.677 7.929 -0.100 1.00 0.00 C ATOM 645 C ARG A 49 -6.384 9.169 0.457 1.00 0.00 C ATOM 646 O ARG A 49 -7.582 9.326 0.328 1.00 0.00 O ATOM 647 CB ARG A 49 -5.636 6.807 0.944 1.00 0.00 C ATOM 648 CG ARG A 49 -5.047 7.332 2.256 1.00 0.00 C ATOM 649 CD ARG A 49 -6.183 7.724 3.204 1.00 0.00 C ATOM 650 NE ARG A 49 -5.669 8.906 3.952 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.407 9.468 4.870 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.651 9.766 4.615 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.900 9.732 6.044 1.00 0.00 N ATOM 0 H ARG A 49 -3.568 7.619 0.031 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.226 7.624 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.641 6.422 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.036 5.976 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.421 6.568 2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.408 8.193 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.090 7.970 2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.433 6.907 3.880 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.741 9.276 3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.047 9.560 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.228 10.205 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.927 9.499 6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.477 10.171 6.762 1.00 0.00 H new ATOM 667 N ASP A 50 -5.645 10.053 1.071 1.00 0.00 N ATOM 668 CA ASP A 50 -6.267 11.286 1.631 1.00 0.00 C ATOM 669 C ASP A 50 -6.536 12.288 0.506 1.00 0.00 C ATOM 670 O ASP A 50 -7.563 12.937 0.472 1.00 0.00 O ATOM 671 CB ASP A 50 -5.232 11.843 2.610 1.00 0.00 C ATOM 672 CG ASP A 50 -5.948 12.503 3.789 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.793 13.348 3.546 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.640 12.150 4.916 1.00 0.00 O ATOM 0 H ASP A 50 -4.637 9.974 1.209 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.221 11.087 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.585 11.042 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.593 12.569 2.106 1.00 0.00 H new ATOM 679 N GLN A 51 -5.624 12.413 -0.419 1.00 0.00 N ATOM 680 CA GLN A 51 -5.831 13.369 -1.545 1.00 0.00 C ATOM 681 C GLN A 51 -7.022 12.921 -2.395 1.00 0.00 C ATOM 682 O GLN A 51 -7.789 13.728 -2.880 1.00 0.00 O ATOM 683 CB GLN A 51 -4.538 13.311 -2.358 1.00 0.00 C ATOM 684 CG GLN A 51 -3.363 13.749 -1.481 1.00 0.00 C ATOM 685 CD GLN A 51 -2.053 13.552 -2.246 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.049 13.183 -1.670 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.020 13.782 -3.530 1.00 0.00 N ATOM 0 H GLN A 51 -4.745 11.895 -0.444 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.046 14.380 -1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.373 12.299 -2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.615 13.959 -3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.477 14.795 -1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.348 13.169 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.862 14.092 -4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.152 13.652 -4.049 1.00 0.00 H new ATOM 696 N LEU A 52 -7.184 11.638 -2.575 1.00 0.00 N ATOM 697 CA LEU A 52 -8.327 11.137 -3.389 1.00 0.00 C ATOM 698 C LEU A 52 -9.643 11.368 -2.643 1.00 0.00 C ATOM 699 O LEU A 52 -10.632 11.775 -3.219 1.00 0.00 O ATOM 700 CB LEU A 52 -8.066 9.641 -3.565 1.00 0.00 C ATOM 701 CG LEU A 52 -7.820 9.335 -5.043 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.055 9.724 -5.858 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.612 10.135 -5.534 1.00 0.00 C ATOM 0 H LEU A 52 -6.574 10.915 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.408 11.650 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.202 9.340 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.918 9.067 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.625 8.270 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.879 9.506 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.916 9.154 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.251 10.789 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.436 9.918 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.807 11.200 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.732 9.858 -4.954 1.00 0.00 H new ATOM 715 N HIS A 53 -9.661 11.116 -1.361 1.00 0.00 N ATOM 716 CA HIS A 53 -10.912 11.327 -0.578 1.00 0.00 C ATOM 717 C HIS A 53 -11.422 12.755 -0.781 1.00 0.00 C ATOM 718 O HIS A 53 -12.606 12.988 -0.924 1.00 0.00 O ATOM 719 CB HIS A 53 -10.510 11.103 0.880 1.00 0.00 C ATOM 720 CG HIS A 53 -11.073 9.793 1.360 1.00 0.00 C ATOM 721 ND1 HIS A 53 -11.556 9.625 2.649 1.00 0.00 N ATOM 722 CD2 HIS A 53 -11.238 8.581 0.737 1.00 0.00 C ATOM 723 CE1 HIS A 53 -11.983 8.354 2.759 1.00 0.00 C ATOM 724 NE2 HIS A 53 -11.813 7.674 1.622 1.00 0.00 N ATOM 0 H HIS A 53 -8.865 10.774 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.713 10.655 -0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.424 11.100 0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.881 11.919 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.963 8.364 -0.285 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.411 7.935 3.657 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.053 6.699 1.441 1.00 0.00 H new ATOM 732 N GLN A 54 -10.537 13.713 -0.795 1.00 0.00 N ATOM 733 CA GLN A 54 -10.970 15.125 -0.994 1.00 0.00 C ATOM 734 C GLN A 54 -11.209 15.398 -2.481 1.00 0.00 C ATOM 735 O GLN A 54 -12.036 16.209 -2.849 1.00 0.00 O ATOM 736 CB GLN A 54 -9.807 15.971 -0.475 1.00 0.00 C ATOM 737 CG GLN A 54 -9.581 15.675 1.009 1.00 0.00 C ATOM 738 CD GLN A 54 -8.085 15.747 1.322 1.00 0.00 C ATOM 739 OE1 GLN A 54 -7.265 15.751 0.426 1.00 0.00 O ATOM 740 NE2 GLN A 54 -7.694 15.803 2.566 1.00 0.00 N ATOM 0 H GLN A 54 -9.533 13.579 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.902 15.350 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.902 15.751 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.023 17.030 -0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.126 16.393 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.968 14.687 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.383 15.800 3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.699 15.850 2.786 1.00 0.00 H new ATOM 749 N LEU A 55 -10.488 14.726 -3.337 1.00 0.00 N ATOM 750 CA LEU A 55 -10.667 14.946 -4.801 1.00 0.00 C ATOM 751 C LEU A 55 -12.023 14.410 -5.261 1.00 0.00 C ATOM 752 O LEU A 55 -12.689 15.004 -6.086 1.00 0.00 O ATOM 753 CB LEU A 55 -9.530 14.166 -5.461 1.00 0.00 C ATOM 754 CG LEU A 55 -8.441 15.137 -5.919 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.079 14.650 -5.424 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.432 15.208 -7.448 1.00 0.00 C ATOM 0 H LEU A 55 -9.782 14.034 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.643 16.004 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.115 13.443 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.909 13.601 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.642 16.127 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.304 15.343 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.084 14.599 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.876 13.660 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.656 15.900 -7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.231 14.218 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.402 15.557 -7.802 1.00 0.00 H new ATOM 768 N ARG A 56 -12.436 13.290 -4.740 1.00 0.00 N ATOM 769 CA ARG A 56 -13.748 12.718 -5.153 1.00 0.00 C ATOM 770 C ARG A 56 -14.877 13.713 -4.860 1.00 0.00 C ATOM 771 O ARG A 56 -15.935 13.658 -5.454 1.00 0.00 O ATOM 772 CB ARG A 56 -13.901 11.449 -4.313 1.00 0.00 C ATOM 773 CG ARG A 56 -14.056 11.814 -2.835 1.00 0.00 C ATOM 774 CD ARG A 56 -15.476 11.482 -2.372 1.00 0.00 C ATOM 775 NE ARG A 56 -15.586 12.080 -1.012 1.00 0.00 N ATOM 776 CZ ARG A 56 -16.753 12.178 -0.435 1.00 0.00 C ATOM 777 NH1 ARG A 56 -17.652 11.251 -0.621 1.00 0.00 N ATOM 778 NH2 ARG A 56 -17.019 13.203 0.328 1.00 0.00 N ATOM 0 H ARG A 56 -11.923 12.746 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.794 12.505 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.770 10.883 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.031 10.807 -4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.329 11.265 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.853 12.875 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.220 11.901 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.641 10.405 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.750 12.413 -0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.443 10.450 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.564 11.327 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.315 13.927 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.931 13.280 0.779 1.00 0.00 H new ATOM 792 N GLU A 57 -14.656 14.625 -3.951 1.00 0.00 N ATOM 793 CA GLU A 57 -15.714 15.624 -3.625 1.00 0.00 C ATOM 794 C GLU A 57 -15.962 16.534 -4.829 1.00 0.00 C ATOM 795 O GLU A 57 -17.082 16.895 -5.129 1.00 0.00 O ATOM 796 CB GLU A 57 -15.155 16.429 -2.451 1.00 0.00 C ATOM 797 CG GLU A 57 -14.752 15.480 -1.321 1.00 0.00 C ATOM 798 CD GLU A 57 -14.584 16.273 -0.023 1.00 0.00 C ATOM 799 OE1 GLU A 57 -13.882 17.271 -0.049 1.00 0.00 O ATOM 800 OE2 GLU A 57 -15.159 15.869 0.973 1.00 0.00 O ATOM 0 H GLU A 57 -13.790 14.721 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.665 15.154 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.292 17.011 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.903 17.138 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.511 14.708 -1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.821 14.973 -1.573 1.00 0.00 H new ATOM 807 N LEU A 58 -14.921 16.904 -5.523 1.00 0.00 N ATOM 808 CA LEU A 58 -15.092 17.789 -6.711 1.00 0.00 C ATOM 809 C LEU A 58 -16.114 17.185 -7.677 1.00 0.00 C ATOM 810 O LEU A 58 -16.713 17.877 -8.476 1.00 0.00 O ATOM 811 CB LEU A 58 -13.709 17.851 -7.362 1.00 0.00 C ATOM 812 CG LEU A 58 -12.945 19.061 -6.825 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.481 18.681 -6.597 1.00 0.00 C ATOM 814 CD2 LEU A 58 -13.021 20.203 -7.841 1.00 0.00 C ATOM 0 H LEU A 58 -13.959 16.632 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.459 18.779 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.155 16.936 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.808 17.922 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.389 19.381 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.936 19.544 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.425 17.867 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.037 18.361 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.476 21.067 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.577 19.882 -8.783 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.064 20.475 -8.005 1.00 0.00 H new ATOM 826 N PHE A 59 -16.320 15.897 -7.609 1.00 0.00 N ATOM 827 CA PHE A 59 -17.304 15.248 -8.523 1.00 0.00 C ATOM 828 C PHE A 59 -18.654 15.966 -8.443 1.00 0.00 C ATOM 829 O PHE A 59 -19.351 16.111 -9.428 1.00 0.00 O ATOM 830 CB PHE A 59 -17.429 13.812 -8.014 1.00 0.00 C ATOM 831 CG PHE A 59 -18.461 13.075 -8.833 1.00 0.00 C ATOM 832 CD1 PHE A 59 -19.824 13.127 -8.464 1.00 0.00 C ATOM 833 CD2 PHE A 59 -18.065 12.334 -9.969 1.00 0.00 C ATOM 834 CE1 PHE A 59 -20.790 12.437 -9.231 1.00 0.00 C ATOM 835 CE2 PHE A 59 -19.032 11.645 -10.736 1.00 0.00 C ATOM 836 CZ PHE A 59 -20.394 11.696 -10.366 1.00 0.00 C ATOM 0 H PHE A 59 -15.849 15.266 -6.960 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.987 15.285 -9.565 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.466 13.306 -8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.716 13.811 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -20.127 13.694 -7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -17.023 12.294 -10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -21.832 12.476 -8.949 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -18.729 11.080 -11.605 1.00 0.00 H new ATOM 0 HZ PHE A 59 -21.133 11.168 -10.951 1.00 0.00 H new ATOM 846 N ILE A 60 -19.027 16.420 -7.277 1.00 0.00 N ATOM 847 CA ILE A 60 -20.330 17.129 -7.136 1.00 0.00 C ATOM 848 C ILE A 60 -20.236 18.531 -7.743 1.00 0.00 C ATOM 849 O ILE A 60 -21.133 18.985 -8.424 1.00 0.00 O ATOM 850 CB ILE A 60 -20.576 17.212 -5.629 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.649 15.798 -5.047 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.894 17.940 -5.365 1.00 0.00 C ATOM 853 CD1 ILE A 60 -19.832 15.734 -3.756 1.00 0.00 C ATOM 0 H ILE A 60 -18.486 16.330 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 60 -21.139 16.613 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.760 17.759 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.686 15.529 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.266 15.076 -5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.068 17.999 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.843 18.947 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.712 17.394 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -19.884 14.727 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -18.793 15.985 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.236 16.444 -3.034 1.00 0.00 H new ATOM 865 N ALA A 61 -19.153 19.219 -7.503 1.00 0.00 N ATOM 866 CA ALA A 61 -19.000 20.591 -8.069 1.00 0.00 C ATOM 867 C ALA A 61 -18.879 20.522 -9.593 1.00 0.00 C ATOM 868 O ALA A 61 -19.138 21.482 -10.290 1.00 0.00 O ATOM 869 CB ALA A 61 -17.711 21.132 -7.451 1.00 0.00 C ATOM 0 H ALA A 61 -18.368 18.891 -6.940 1.00 0.00 H new ATOM 0 HA ALA A 61 -19.856 21.229 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.527 22.142 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.809 21.153 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.877 20.488 -7.727 1.00 0.00 H new ATOM 875 N ALA A 62 -18.487 19.391 -10.116 1.00 0.00 N ATOM 876 CA ALA A 62 -18.350 19.261 -11.595 1.00 0.00 C ATOM 877 C ALA A 62 -19.544 18.496 -12.171 1.00 0.00 C ATOM 878 O ALA A 62 -20.281 19.003 -12.994 1.00 0.00 O ATOM 879 CB ALA A 62 -17.056 18.474 -11.805 1.00 0.00 C ATOM 0 H ALA A 62 -18.256 18.552 -9.583 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.323 20.229 -12.094 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.883 18.336 -12.872 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.221 19.024 -11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -17.140 17.501 -11.322 1.00 0.00 H new ATOM 885 N SER A 63 -19.742 17.278 -11.745 1.00 0.00 N ATOM 886 CA SER A 63 -20.889 16.482 -12.270 1.00 0.00 C ATOM 887 C SER A 63 -22.148 16.767 -11.448 1.00 0.00 C ATOM 888 O SER A 63 -23.229 16.488 -11.941 1.00 0.00 O ATOM 889 CB SER A 63 -20.463 15.023 -12.111 1.00 0.00 C ATOM 890 OG SER A 63 -21.054 14.246 -13.143 1.00 0.00 O ATOM 891 OXT SER A 63 -22.011 17.259 -10.341 1.00 0.00 O ATOM 0 H SER A 63 -19.160 16.800 -11.057 1.00 0.00 H new ATOM 0 HA SER A 63 -21.124 16.727 -13.306 1.00 0.00 H new ATOM 0 HB2 SER A 63 -19.377 14.942 -12.156 1.00 0.00 H new ATOM 0 HB3 SER A 63 -20.770 14.647 -11.135 1.00 0.00 H new ATOM 0 HG SER A 63 -20.781 13.310 -13.045 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 7.084 -17.145 -10.967 1.00 0.00 N ATOM 899 CA LEU B 8 8.201 -16.229 -11.337 1.00 0.00 C ATOM 900 C LEU B 8 7.902 -14.809 -10.850 1.00 0.00 C ATOM 901 O LEU B 8 8.375 -13.837 -11.407 1.00 0.00 O ATOM 902 CB LEU B 8 8.258 -16.272 -12.864 1.00 0.00 C ATOM 903 CG LEU B 8 9.643 -15.827 -13.337 1.00 0.00 C ATOM 904 CD1 LEU B 8 10.289 -16.948 -14.154 1.00 0.00 C ATOM 905 CD2 LEU B 8 9.506 -14.576 -14.208 1.00 0.00 C ATOM 0 HA LEU B 8 9.147 -16.527 -10.886 1.00 0.00 H new ATOM 0 HB2 LEU B 8 8.048 -17.281 -13.218 1.00 0.00 H new ATOM 0 HB3 LEU B 8 7.492 -15.621 -13.285 1.00 0.00 H new ATOM 0 HG LEU B 8 10.267 -15.602 -12.472 1.00 0.00 H new ATOM 0 HD11 LEU B 8 11.276 -16.630 -14.491 1.00 0.00 H new ATOM 0 HD12 LEU B 8 10.386 -17.840 -13.535 1.00 0.00 H new ATOM 0 HD13 LEU B 8 9.665 -17.173 -15.019 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.492 -14.258 -14.546 1.00 0.00 H new ATOM 0 HD22 LEU B 8 8.882 -14.801 -15.073 1.00 0.00 H new ATOM 0 HD23 LEU B 8 9.046 -13.777 -13.627 1.00 0.00 H new ATOM 917 N GLU B 9 7.118 -14.682 -9.816 1.00 0.00 N ATOM 918 CA GLU B 9 6.785 -13.324 -9.294 1.00 0.00 C ATOM 919 C GLU B 9 7.962 -12.753 -8.490 1.00 0.00 C ATOM 920 O GLU B 9 8.461 -11.691 -8.805 1.00 0.00 O ATOM 921 CB GLU B 9 5.568 -13.534 -8.392 1.00 0.00 C ATOM 922 CG GLU B 9 4.323 -12.970 -9.077 1.00 0.00 C ATOM 923 CD GLU B 9 3.503 -12.167 -8.065 1.00 0.00 C ATOM 924 OE1 GLU B 9 4.103 -11.442 -7.288 1.00 0.00 O ATOM 925 OE2 GLU B 9 2.289 -12.289 -8.084 1.00 0.00 O ATOM 0 H GLU B 9 6.693 -15.458 -9.309 1.00 0.00 H new ATOM 0 HA GLU B 9 6.581 -12.615 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.433 -14.596 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.723 -13.041 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU B 9 4.612 -12.334 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU B 9 3.721 -13.781 -9.487 1.00 0.00 H new ATOM 932 N PRO B 10 8.371 -13.473 -7.471 1.00 0.00 N ATOM 933 CA PRO B 10 9.499 -13.008 -6.626 1.00 0.00 C ATOM 934 C PRO B 10 10.829 -13.163 -7.370 1.00 0.00 C ATOM 935 O PRO B 10 11.587 -12.225 -7.503 1.00 0.00 O ATOM 936 CB PRO B 10 9.445 -13.933 -5.413 1.00 0.00 C ATOM 937 CG PRO B 10 8.762 -15.172 -5.898 1.00 0.00 C ATOM 938 CD PRO B 10 7.836 -14.763 -7.014 1.00 0.00 C ATOM 0 HA PRO B 10 9.424 -11.954 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO B 10 10.445 -14.154 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO B 10 8.894 -13.475 -4.592 1.00 0.00 H new ATOM 0 HG2 PRO B 10 9.492 -15.900 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO B 10 8.205 -15.645 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.831 -15.499 -7.818 1.00 0.00 H new ATOM 0 HD3 PRO B 10 6.808 -14.667 -6.664 1.00 0.00 H new ATOM 946 N ASP B 11 11.114 -14.344 -7.859 1.00 0.00 N ATOM 947 CA ASP B 11 12.397 -14.576 -8.597 1.00 0.00 C ATOM 948 C ASP B 11 13.595 -14.304 -7.681 1.00 0.00 C ATOM 949 O ASP B 11 14.191 -15.213 -7.138 1.00 0.00 O ATOM 950 CB ASP B 11 12.380 -13.595 -9.774 1.00 0.00 C ATOM 951 CG ASP B 11 12.288 -14.373 -11.087 1.00 0.00 C ATOM 952 OD1 ASP B 11 12.848 -15.456 -11.151 1.00 0.00 O ATOM 953 OD2 ASP B 11 11.659 -13.876 -12.006 1.00 0.00 O ATOM 0 H ASP B 11 10.511 -15.163 -7.779 1.00 0.00 H new ATOM 0 HA ASP B 11 12.488 -15.607 -8.939 1.00 0.00 H new ATOM 0 HB2 ASP B 11 11.533 -12.915 -9.682 1.00 0.00 H new ATOM 0 HB3 ASP B 11 13.282 -12.983 -9.764 1.00 0.00 H new ATOM 958 N ASN B 12 13.950 -13.062 -7.504 1.00 0.00 N ATOM 959 CA ASN B 12 15.107 -12.733 -6.624 1.00 0.00 C ATOM 960 C ASN B 12 14.888 -11.373 -5.953 1.00 0.00 C ATOM 961 O ASN B 12 15.822 -10.720 -5.532 1.00 0.00 O ATOM 962 CB ASN B 12 16.315 -12.681 -7.560 1.00 0.00 C ATOM 963 CG ASN B 12 17.593 -12.941 -6.761 1.00 0.00 C ATOM 964 OD1 ASN B 12 18.339 -13.851 -7.064 1.00 0.00 O ATOM 965 ND2 ASN B 12 17.880 -12.175 -5.744 1.00 0.00 N ATOM 0 H ASN B 12 13.488 -12.259 -7.931 1.00 0.00 H new ATOM 0 HA ASN B 12 15.242 -13.464 -5.827 1.00 0.00 H new ATOM 0 HB2 ASN B 12 16.209 -13.426 -8.349 1.00 0.00 H new ATOM 0 HB3 ASN B 12 16.370 -11.707 -8.046 1.00 0.00 H new ATOM 0 HD21 ASN B 12 18.730 -12.341 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN B 12 17.255 -11.411 -5.489 1.00 0.00 H new ATOM 972 N VAL B 13 13.661 -10.942 -5.855 1.00 0.00 N ATOM 973 CA VAL B 13 13.381 -9.624 -5.218 1.00 0.00 C ATOM 974 C VAL B 13 13.445 -9.754 -3.682 1.00 0.00 C ATOM 975 O VAL B 13 14.216 -9.066 -3.043 1.00 0.00 O ATOM 976 CB VAL B 13 11.976 -9.244 -5.728 1.00 0.00 C ATOM 977 CG1 VAL B 13 11.228 -8.366 -4.713 1.00 0.00 C ATOM 978 CG2 VAL B 13 12.118 -8.470 -7.040 1.00 0.00 C ATOM 0 H VAL B 13 12.839 -11.446 -6.189 1.00 0.00 H new ATOM 0 HA VAL B 13 14.109 -8.853 -5.472 1.00 0.00 H new ATOM 0 HB VAL B 13 11.406 -10.161 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL B 13 10.242 -8.117 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL B 13 11.119 -8.908 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.792 -7.449 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL B 13 11.130 -8.196 -7.410 1.00 0.00 H new ATOM 0 HG22 VAL B 13 12.704 -7.567 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL B 13 12.621 -9.094 -7.778 1.00 0.00 H new ATOM 988 N PRO B 14 12.634 -10.627 -3.134 1.00 0.00 N ATOM 989 CA PRO B 14 12.622 -10.821 -1.664 1.00 0.00 C ATOM 990 C PRO B 14 13.860 -11.602 -1.222 1.00 0.00 C ATOM 991 O PRO B 14 14.597 -11.180 -0.354 1.00 0.00 O ATOM 992 CB PRO B 14 11.354 -11.633 -1.417 1.00 0.00 C ATOM 993 CG PRO B 14 11.092 -12.348 -2.705 1.00 0.00 C ATOM 994 CD PRO B 14 11.670 -11.503 -3.811 1.00 0.00 C ATOM 0 HA PRO B 14 12.636 -9.883 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO B 14 11.490 -12.337 -0.596 1.00 0.00 H new ATOM 0 HB3 PRO B 14 10.518 -10.987 -1.148 1.00 0.00 H new ATOM 0 HG2 PRO B 14 11.551 -13.336 -2.696 1.00 0.00 H new ATOM 0 HG3 PRO B 14 10.022 -12.495 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO B 14 12.156 -12.118 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO B 14 10.896 -10.926 -4.317 1.00 0.00 H new ATOM 1002 N MET B 15 14.091 -12.741 -1.815 1.00 0.00 N ATOM 1003 CA MET B 15 15.280 -13.555 -1.434 1.00 0.00 C ATOM 1004 C MET B 15 15.324 -13.750 0.087 1.00 0.00 C ATOM 1005 O MET B 15 14.303 -13.811 0.743 1.00 0.00 O ATOM 1006 CB MET B 15 16.485 -12.744 -1.911 1.00 0.00 C ATOM 1007 CG MET B 15 17.521 -13.685 -2.528 1.00 0.00 C ATOM 1008 SD MET B 15 19.102 -12.819 -2.690 1.00 0.00 S ATOM 1009 CE MET B 15 19.962 -14.095 -3.643 1.00 0.00 C ATOM 0 H MET B 15 13.507 -13.144 -2.548 1.00 0.00 H new ATOM 0 HA MET B 15 15.260 -14.550 -1.878 1.00 0.00 H new ATOM 0 HB2 MET B 15 16.170 -12.002 -2.644 1.00 0.00 H new ATOM 0 HB3 MET B 15 16.925 -12.200 -1.075 1.00 0.00 H new ATOM 0 HG2 MET B 15 17.641 -14.570 -1.904 1.00 0.00 H new ATOM 0 HG3 MET B 15 17.180 -14.028 -3.505 1.00 0.00 H new ATOM 0 HE1 MET B 15 20.966 -13.750 -3.890 1.00 0.00 H new ATOM 0 HE2 MET B 15 20.027 -15.009 -3.052 1.00 0.00 H new ATOM 0 HE3 MET B 15 19.411 -14.296 -4.562 1.00 0.00 H new ATOM 1019 N ASP B 16 16.499 -13.850 0.654 1.00 0.00 N ATOM 1020 CA ASP B 16 16.606 -14.041 2.131 1.00 0.00 C ATOM 1021 C ASP B 16 15.856 -15.306 2.552 1.00 0.00 C ATOM 1022 O ASP B 16 14.841 -15.249 3.218 1.00 0.00 O ATOM 1023 CB ASP B 16 15.963 -12.797 2.750 1.00 0.00 C ATOM 1024 CG ASP B 16 16.996 -12.057 3.600 1.00 0.00 C ATOM 1025 OD1 ASP B 16 17.731 -11.258 3.043 1.00 0.00 O ATOM 1026 OD2 ASP B 16 17.036 -12.301 4.796 1.00 0.00 O ATOM 0 H ASP B 16 17.389 -13.808 0.157 1.00 0.00 H new ATOM 0 HA ASP B 16 17.639 -14.160 2.457 1.00 0.00 H new ATOM 0 HB2 ASP B 16 15.585 -12.141 1.965 1.00 0.00 H new ATOM 0 HB3 ASP B 16 15.109 -13.084 3.364 1.00 0.00 H new ATOM 1031 N MET B 17 16.350 -16.451 2.165 1.00 0.00 N ATOM 1032 CA MET B 17 15.671 -17.727 2.537 1.00 0.00 C ATOM 1033 C MET B 17 15.361 -17.754 4.038 1.00 0.00 C ATOM 1034 O MET B 17 14.429 -18.397 4.476 1.00 0.00 O ATOM 1035 CB MET B 17 16.671 -18.825 2.178 1.00 0.00 C ATOM 1036 CG MET B 17 17.948 -18.642 2.999 1.00 0.00 C ATOM 1037 SD MET B 17 19.210 -19.805 2.421 1.00 0.00 S ATOM 1038 CE MET B 17 20.550 -19.239 3.497 1.00 0.00 C ATOM 0 H MET B 17 17.196 -16.559 1.606 1.00 0.00 H new ATOM 0 HA MET B 17 14.720 -17.851 2.018 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.237 -19.805 2.375 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.902 -18.787 1.113 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.311 -17.619 2.904 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.741 -18.810 4.056 1.00 0.00 H new ATOM 0 HE1 MET B 17 21.445 -19.831 3.306 1.00 0.00 H new ATOM 0 HE2 MET B 17 20.760 -18.189 3.295 1.00 0.00 H new ATOM 0 HE3 MET B 17 20.254 -19.356 4.539 1.00 0.00 H new ATOM 1048 N SER B 18 16.135 -17.057 4.828 1.00 0.00 N ATOM 1049 CA SER B 18 15.890 -17.039 6.302 1.00 0.00 C ATOM 1050 C SER B 18 15.910 -18.466 6.867 1.00 0.00 C ATOM 1051 O SER B 18 15.859 -19.425 6.123 1.00 0.00 O ATOM 1052 CB SER B 18 14.506 -16.412 6.474 1.00 0.00 C ATOM 1053 OG SER B 18 14.650 -15.074 6.932 1.00 0.00 O ATOM 0 H SER B 18 16.929 -16.498 4.516 1.00 0.00 H new ATOM 0 HA SER B 18 16.658 -16.478 6.835 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.967 -16.428 5.527 1.00 0.00 H new ATOM 0 HB3 SER B 18 13.918 -16.991 7.186 1.00 0.00 H new ATOM 0 HG SER B 18 13.783 -14.619 6.890 1.00 0.00 H new ATOM 1059 N PRO B 19 15.990 -18.564 8.172 1.00 0.00 N ATOM 1060 CA PRO B 19 16.021 -19.891 8.833 1.00 0.00 C ATOM 1061 C PRO B 19 14.616 -20.512 8.928 1.00 0.00 C ATOM 1062 O PRO B 19 14.212 -20.976 9.974 1.00 0.00 O ATOM 1063 CB PRO B 19 16.569 -19.584 10.223 1.00 0.00 C ATOM 1064 CG PRO B 19 16.231 -18.148 10.479 1.00 0.00 C ATOM 1065 CD PRO B 19 16.069 -17.464 9.143 1.00 0.00 C ATOM 0 HA PRO B 19 16.621 -20.615 8.282 1.00 0.00 H new ATOM 0 HB2 PRO B 19 16.119 -20.233 10.974 1.00 0.00 H new ATOM 0 HB3 PRO B 19 17.646 -19.747 10.265 1.00 0.00 H new ATOM 0 HG2 PRO B 19 15.313 -18.070 11.061 1.00 0.00 H new ATOM 0 HG3 PRO B 19 17.019 -17.668 11.060 1.00 0.00 H new ATOM 0 HD2 PRO B 19 15.170 -16.848 9.119 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.911 -16.806 8.929 1.00 0.00 H new ATOM 1073 N LYS B 20 13.887 -20.546 7.838 1.00 0.00 N ATOM 1074 CA LYS B 20 12.517 -21.158 7.838 1.00 0.00 C ATOM 1075 C LYS B 20 11.563 -20.453 8.817 1.00 0.00 C ATOM 1076 O LYS B 20 10.653 -19.760 8.409 1.00 0.00 O ATOM 1077 CB LYS B 20 12.728 -22.619 8.247 1.00 0.00 C ATOM 1078 CG LYS B 20 11.415 -23.388 8.090 1.00 0.00 C ATOM 1079 CD LYS B 20 10.692 -23.445 9.437 1.00 0.00 C ATOM 1080 CE LYS B 20 9.986 -24.796 9.581 1.00 0.00 C ATOM 1081 NZ LYS B 20 8.538 -24.491 9.417 1.00 0.00 N ATOM 0 H LYS B 20 14.185 -20.172 6.937 1.00 0.00 H new ATOM 0 HA LYS B 20 12.050 -21.063 6.858 1.00 0.00 H new ATOM 0 HB2 LYS B 20 13.503 -23.072 7.629 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.072 -22.672 9.280 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.783 -22.902 7.347 1.00 0.00 H new ATOM 0 HG3 LYS B 20 11.613 -24.397 7.729 1.00 0.00 H new ATOM 0 HD2 LYS B 20 11.404 -23.306 10.250 1.00 0.00 H new ATOM 0 HD3 LYS B 20 9.967 -22.634 9.507 1.00 0.00 H new ATOM 0 HE2 LYS B 20 10.329 -25.503 8.826 1.00 0.00 H new ATOM 0 HE3 LYS B 20 10.187 -25.245 10.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 7.986 -25.369 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 8.239 -23.821 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 8.376 -24.071 8.480 1.00 0.00 H new ATOM 1095 N ALA B 21 11.747 -20.643 10.099 1.00 0.00 N ATOM 1096 CA ALA B 21 10.837 -20.005 11.104 1.00 0.00 C ATOM 1097 C ALA B 21 10.575 -18.534 10.764 1.00 0.00 C ATOM 1098 O ALA B 21 9.445 -18.088 10.731 1.00 0.00 O ATOM 1099 CB ALA B 21 11.583 -20.118 12.433 1.00 0.00 C ATOM 0 H ALA B 21 12.492 -21.215 10.497 1.00 0.00 H new ATOM 0 HA ALA B 21 9.861 -20.491 11.128 1.00 0.00 H new ATOM 0 HB1 ALA B 21 10.983 -19.672 13.226 1.00 0.00 H new ATOM 0 HB2 ALA B 21 11.763 -21.169 12.661 1.00 0.00 H new ATOM 0 HB3 ALA B 21 12.536 -19.594 12.361 1.00 0.00 H new ATOM 1105 N LEU B 22 11.605 -17.783 10.507 1.00 0.00 N ATOM 1106 CA LEU B 22 11.410 -16.343 10.167 1.00 0.00 C ATOM 1107 C LEU B 22 11.016 -16.216 8.699 1.00 0.00 C ATOM 1108 O LEU B 22 10.207 -15.390 8.327 1.00 0.00 O ATOM 1109 CB LEU B 22 12.766 -15.684 10.415 1.00 0.00 C ATOM 1110 CG LEU B 22 12.972 -15.492 11.916 1.00 0.00 C ATOM 1111 CD1 LEU B 22 13.196 -16.854 12.570 1.00 0.00 C ATOM 1112 CD2 LEU B 22 14.195 -14.604 12.155 1.00 0.00 C ATOM 0 H LEU B 22 12.574 -18.100 10.517 1.00 0.00 H new ATOM 0 HA LEU B 22 10.623 -15.877 10.760 1.00 0.00 H new ATOM 0 HB2 LEU B 22 13.564 -16.303 10.004 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.814 -14.722 9.905 1.00 0.00 H new ATOM 0 HG LEU B 22 12.091 -15.017 12.349 1.00 0.00 H new ATOM 0 HD11 LEU B 22 13.344 -16.723 13.642 1.00 0.00 H new ATOM 0 HD12 LEU B 22 12.326 -17.488 12.398 1.00 0.00 H new ATOM 0 HD13 LEU B 22 14.079 -17.325 12.137 1.00 0.00 H new ATOM 0 HD21 LEU B 22 14.342 -14.467 13.226 1.00 0.00 H new ATOM 0 HD22 LEU B 22 15.078 -15.077 11.725 1.00 0.00 H new ATOM 0 HD23 LEU B 22 14.038 -13.634 11.684 1.00 0.00 H new ATOM 1124 N GLN B 23 11.589 -17.036 7.867 1.00 0.00 N ATOM 1125 CA GLN B 23 11.259 -16.979 6.412 1.00 0.00 C ATOM 1126 C GLN B 23 9.742 -17.017 6.205 1.00 0.00 C ATOM 1127 O GLN B 23 9.194 -16.268 5.420 1.00 0.00 O ATOM 1128 CB GLN B 23 11.909 -18.225 5.810 1.00 0.00 C ATOM 1129 CG GLN B 23 11.772 -18.185 4.286 1.00 0.00 C ATOM 1130 CD GLN B 23 11.995 -19.587 3.716 1.00 0.00 C ATOM 1131 OE1 GLN B 23 12.525 -20.451 4.386 1.00 0.00 O ATOM 1132 NE2 GLN B 23 11.610 -19.851 2.497 1.00 0.00 N ATOM 0 H GLN B 23 12.273 -17.746 8.129 1.00 0.00 H new ATOM 0 HA GLN B 23 11.619 -16.062 5.946 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.961 -18.271 6.090 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.434 -19.123 6.205 1.00 0.00 H new ATOM 0 HG2 GLN B 23 10.783 -17.821 4.009 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.497 -17.490 3.863 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.165 -19.126 1.934 1.00 0.00 H new ATOM 0 HE22 GLN B 23 11.754 -20.782 2.107 1.00 0.00 H new ATOM 1141 N GLN B 24 9.060 -17.882 6.903 1.00 0.00 N ATOM 1142 CA GLN B 24 7.580 -17.968 6.745 1.00 0.00 C ATOM 1143 C GLN B 24 6.900 -16.799 7.464 1.00 0.00 C ATOM 1144 O GLN B 24 6.079 -16.104 6.900 1.00 0.00 O ATOM 1145 CB GLN B 24 7.189 -19.297 7.393 1.00 0.00 C ATOM 1146 CG GLN B 24 5.748 -19.645 7.017 1.00 0.00 C ATOM 1147 CD GLN B 24 4.822 -19.329 8.193 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.235 -19.371 9.334 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.577 -19.014 7.961 1.00 0.00 N ATOM 0 H GLN B 24 9.463 -18.534 7.576 1.00 0.00 H new ATOM 0 HA GLN B 24 7.274 -17.918 5.700 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.863 -20.087 7.062 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.287 -19.228 8.476 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.443 -19.077 6.138 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.674 -20.701 6.756 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.230 -18.979 7.002 1.00 0.00 H new ATOM 0 HE22 GLN B 24 2.951 -18.803 8.738 1.00 0.00 H new ATOM 1158 N LYS B 25 7.235 -16.579 8.706 1.00 0.00 N ATOM 1159 CA LYS B 25 6.607 -15.456 9.460 1.00 0.00 C ATOM 1160 C LYS B 25 6.764 -14.143 8.688 1.00 0.00 C ATOM 1161 O LYS B 25 5.889 -13.301 8.692 1.00 0.00 O ATOM 1162 CB LYS B 25 7.367 -15.394 10.785 1.00 0.00 C ATOM 1163 CG LYS B 25 6.550 -16.086 11.877 1.00 0.00 C ATOM 1164 CD LYS B 25 7.434 -17.089 12.619 1.00 0.00 C ATOM 1165 CE LYS B 25 7.175 -16.983 14.124 1.00 0.00 C ATOM 1166 NZ LYS B 25 7.871 -18.160 14.717 1.00 0.00 N ATOM 0 H LYS B 25 7.916 -17.128 9.231 1.00 0.00 H new ATOM 0 HA LYS B 25 5.538 -15.608 9.610 1.00 0.00 H new ATOM 0 HB2 LYS B 25 8.338 -15.878 10.682 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.555 -14.356 11.060 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.156 -15.347 12.575 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.694 -16.597 11.437 1.00 0.00 H new ATOM 0 HD2 LYS B 25 7.223 -18.101 12.273 1.00 0.00 H new ATOM 0 HD3 LYS B 25 8.484 -16.892 12.405 1.00 0.00 H new ATOM 0 HE2 LYS B 25 7.566 -16.049 14.527 1.00 0.00 H new ATOM 0 HE3 LYS B 25 6.108 -17.003 14.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 7.739 -18.158 15.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 7.474 -19.035 14.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 8.886 -18.110 14.497 1.00 0.00 H new ATOM 1180 N ILE B 26 7.873 -13.962 8.025 1.00 0.00 N ATOM 1181 CA ILE B 26 8.086 -12.702 7.256 1.00 0.00 C ATOM 1182 C ILE B 26 7.333 -12.763 5.922 1.00 0.00 C ATOM 1183 O ILE B 26 6.654 -11.831 5.539 1.00 0.00 O ATOM 1184 CB ILE B 26 9.594 -12.633 7.017 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.316 -12.525 8.361 1.00 0.00 C ATOM 1186 CG2 ILE B 26 9.920 -11.406 6.165 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.820 -12.715 8.150 1.00 0.00 C ATOM 0 H ILE B 26 8.641 -14.632 7.982 1.00 0.00 H new ATOM 0 HA ILE B 26 7.718 -11.826 7.789 1.00 0.00 H new ATOM 0 HB ILE B 26 9.922 -13.533 6.497 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.122 -11.552 8.813 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.937 -13.279 9.051 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.995 -11.357 5.995 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.404 -11.480 5.208 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.593 -10.505 6.684 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.334 -12.638 9.108 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.005 -13.698 7.717 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.193 -11.945 7.475 1.00 0.00 H new ATOM 1199 N HIS B 27 7.450 -13.852 5.213 1.00 0.00 N ATOM 1200 CA HIS B 27 6.742 -13.971 3.906 1.00 0.00 C ATOM 1201 C HIS B 27 5.228 -13.877 4.113 1.00 0.00 C ATOM 1202 O HIS B 27 4.486 -13.557 3.206 1.00 0.00 O ATOM 1203 CB HIS B 27 7.126 -15.351 3.371 1.00 0.00 C ATOM 1204 CG HIS B 27 6.666 -15.485 1.946 1.00 0.00 C ATOM 1205 ND1 HIS B 27 5.907 -14.510 1.317 1.00 0.00 N ATOM 1206 CD2 HIS B 27 6.848 -16.477 1.013 1.00 0.00 C ATOM 1207 CE1 HIS B 27 5.664 -14.930 0.062 1.00 0.00 C ATOM 1208 NE2 HIS B 27 6.215 -16.124 -0.176 1.00 0.00 N ATOM 0 H HIS B 27 8.005 -14.665 5.482 1.00 0.00 H new ATOM 0 HA HIS B 27 7.017 -13.175 3.214 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.206 -15.487 3.430 1.00 0.00 H new ATOM 0 HB3 HIS B 27 6.673 -16.129 3.985 1.00 0.00 H new ATOM 0 HD1 HIS B 27 5.590 -13.633 1.731 1.00 0.00 H new ATOM 0 HD2 HIS B 27 7.398 -17.392 1.177 1.00 0.00 H new ATOM 0 HE1 HIS B 27 5.093 -14.370 -0.664 1.00 0.00 H new ATOM 1216 N GLU B 28 4.763 -14.156 5.300 1.00 0.00 N ATOM 1217 CA GLU B 28 3.297 -14.085 5.562 1.00 0.00 C ATOM 1218 C GLU B 28 2.864 -12.629 5.759 1.00 0.00 C ATOM 1219 O GLU B 28 1.948 -12.151 5.120 1.00 0.00 O ATOM 1220 CB GLU B 28 3.085 -14.885 6.847 1.00 0.00 C ATOM 1221 CG GLU B 28 2.097 -16.024 6.582 1.00 0.00 C ATOM 1222 CD GLU B 28 2.739 -17.047 5.642 1.00 0.00 C ATOM 1223 OE1 GLU B 28 3.569 -16.649 4.842 1.00 0.00 O ATOM 1224 OE2 GLU B 28 2.389 -18.212 5.740 1.00 0.00 O ATOM 0 H GLU B 28 5.334 -14.430 6.099 1.00 0.00 H new ATOM 0 HA GLU B 28 2.710 -14.481 4.733 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.035 -15.288 7.198 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.704 -14.235 7.634 1.00 0.00 H new ATOM 0 HG2 GLU B 28 1.816 -16.502 7.520 1.00 0.00 H new ATOM 0 HG3 GLU B 28 1.182 -15.631 6.139 1.00 0.00 H new ATOM 1231 N LEU B 29 3.516 -11.920 6.639 1.00 0.00 N ATOM 1232 CA LEU B 29 3.141 -10.496 6.877 1.00 0.00 C ATOM 1233 C LEU B 29 3.641 -9.616 5.727 1.00 0.00 C ATOM 1234 O LEU B 29 2.999 -8.660 5.339 1.00 0.00 O ATOM 1235 CB LEU B 29 3.836 -10.116 8.185 1.00 0.00 C ATOM 1236 CG LEU B 29 3.296 -10.987 9.320 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.392 -11.196 10.368 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.099 -10.290 9.970 1.00 0.00 C ATOM 0 H LEU B 29 4.292 -12.264 7.204 1.00 0.00 H new ATOM 0 HA LEU B 29 2.061 -10.358 6.934 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.913 -10.251 8.090 1.00 0.00 H new ATOM 0 HB3 LEU B 29 3.665 -9.063 8.408 1.00 0.00 H new ATOM 0 HG LEU B 29 2.984 -11.952 8.921 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.008 -11.817 11.177 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.247 -11.690 9.907 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.702 -10.230 10.767 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.713 -10.910 10.779 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.412 -9.325 10.369 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.318 -10.138 9.225 1.00 0.00 H new ATOM 1250 N GLU B 30 4.783 -9.933 5.181 1.00 0.00 N ATOM 1251 CA GLU B 30 5.325 -9.113 4.057 1.00 0.00 C ATOM 1252 C GLU B 30 4.446 -9.274 2.813 1.00 0.00 C ATOM 1253 O GLU B 30 4.226 -8.337 2.072 1.00 0.00 O ATOM 1254 CB GLU B 30 6.724 -9.671 3.800 1.00 0.00 C ATOM 1255 CG GLU B 30 7.447 -8.789 2.780 1.00 0.00 C ATOM 1256 CD GLU B 30 8.444 -9.636 1.988 1.00 0.00 C ATOM 1257 OE1 GLU B 30 9.232 -10.327 2.612 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.402 -9.580 0.770 1.00 0.00 O ATOM 0 H GLU B 30 5.364 -10.722 5.463 1.00 0.00 H new ATOM 0 HA GLU B 30 5.347 -8.049 4.294 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.289 -9.706 4.731 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.656 -10.694 3.429 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.725 -8.331 2.104 1.00 0.00 H new ATOM 0 HG3 GLU B 30 7.967 -7.977 3.289 1.00 0.00 H new ATOM 1265 N GLY B 31 3.946 -10.456 2.577 1.00 0.00 N ATOM 1266 CA GLY B 31 3.084 -10.674 1.381 1.00 0.00 C ATOM 1267 C GLY B 31 1.685 -10.114 1.647 1.00 0.00 C ATOM 1268 O GLY B 31 0.995 -9.687 0.743 1.00 0.00 O ATOM 0 H GLY B 31 4.097 -11.279 3.160 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.522 -10.186 0.511 1.00 0.00 H new ATOM 0 HA3 GLY B 31 3.023 -11.738 1.153 1.00 0.00 H new ATOM 1272 N LEU B 32 1.261 -10.114 2.881 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.094 -9.582 3.204 1.00 0.00 C ATOM 1274 C LEU B 32 -0.178 -8.095 2.845 1.00 0.00 C ATOM 1275 O LEU B 32 -1.212 -7.602 2.439 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.249 -9.780 4.712 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.735 -9.889 5.063 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.127 -11.364 5.172 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.993 -9.193 6.402 1.00 0.00 C ATOM 0 H LEU B 32 1.794 -10.459 3.679 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.881 -10.088 2.644 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.277 -10.681 5.027 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.202 -8.944 5.247 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.329 -9.412 4.283 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.185 -11.442 5.422 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.942 -11.861 4.220 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.534 -11.841 5.952 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.051 -9.269 6.654 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.399 -9.671 7.181 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.713 -8.142 6.326 1.00 0.00 H new ATOM 1291 N MET B 33 0.902 -7.378 2.992 1.00 0.00 N ATOM 1292 CA MET B 33 0.883 -5.924 2.661 1.00 0.00 C ATOM 1293 C MET B 33 0.426 -5.714 1.215 1.00 0.00 C ATOM 1294 O MET B 33 -0.173 -4.712 0.882 1.00 0.00 O ATOM 1295 CB MET B 33 2.328 -5.460 2.838 1.00 0.00 C ATOM 1296 CG MET B 33 2.521 -4.924 4.257 1.00 0.00 C ATOM 1297 SD MET B 33 4.069 -5.566 4.941 1.00 0.00 S ATOM 1298 CE MET B 33 5.185 -4.771 3.760 1.00 0.00 C ATOM 0 H MET B 33 1.797 -7.735 3.327 1.00 0.00 H new ATOM 0 HA MET B 33 0.194 -5.366 3.295 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.012 -6.288 2.654 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.564 -4.684 2.110 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.541 -3.834 4.246 1.00 0.00 H new ATOM 0 HG3 MET B 33 1.682 -5.221 4.886 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.210 -4.840 4.125 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.109 -5.271 2.794 1.00 0.00 H new ATOM 0 HE3 MET B 33 4.910 -3.722 3.648 1.00 0.00 H new ATOM 1308 N MET B 34 0.706 -6.653 0.353 1.00 0.00 N ATOM 1309 CA MET B 34 0.288 -6.505 -1.071 1.00 0.00 C ATOM 1310 C MET B 34 -1.218 -6.742 -1.209 1.00 0.00 C ATOM 1311 O MET B 34 -1.874 -6.159 -2.050 1.00 0.00 O ATOM 1312 CB MET B 34 1.071 -7.581 -1.826 1.00 0.00 C ATOM 1313 CG MET B 34 1.235 -7.162 -3.288 1.00 0.00 C ATOM 1314 SD MET B 34 2.895 -7.602 -3.858 1.00 0.00 S ATOM 1315 CE MET B 34 3.797 -6.340 -2.925 1.00 0.00 C ATOM 0 H MET B 34 1.205 -7.515 0.572 1.00 0.00 H new ATOM 0 HA MET B 34 0.488 -5.506 -1.458 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.049 -7.724 -1.366 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.548 -8.535 -1.767 1.00 0.00 H new ATOM 0 HG2 MET B 34 0.484 -7.655 -3.905 1.00 0.00 H new ATOM 0 HG3 MET B 34 1.076 -6.088 -3.390 1.00 0.00 H new ATOM 0 HE1 MET B 34 4.723 -6.095 -3.445 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.182 -5.444 -2.837 1.00 0.00 H new ATOM 0 HE3 MET B 34 4.030 -6.720 -1.930 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.771 -7.596 -0.392 1.00 0.00 N ATOM 1326 CA GLN B 35 -3.235 -7.871 -0.478 1.00 0.00 C ATOM 1327 C GLN B 35 -4.032 -6.572 -0.317 1.00 0.00 C ATOM 1328 O GLN B 35 -4.540 -6.022 -1.273 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.524 -8.832 0.678 1.00 0.00 C ATOM 1330 CG GLN B 35 -5.029 -9.097 0.765 1.00 0.00 C ATOM 1331 CD GLN B 35 -5.323 -10.529 0.317 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -6.246 -10.765 -0.438 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -4.572 -11.504 0.753 1.00 0.00 N ATOM 0 H GLN B 35 -1.274 -8.115 0.331 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.521 -8.295 -1.441 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.988 -9.769 0.527 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -3.165 -8.407 1.615 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -5.377 -8.946 1.787 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -5.570 -8.390 0.136 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -3.797 -11.307 1.387 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -4.760 -12.463 0.460 1.00 0.00 H new ATOM 1342 N HIS B 36 -4.149 -6.081 0.887 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.916 -4.821 1.107 1.00 0.00 C ATOM 1344 C HIS B 36 -4.383 -3.707 0.200 1.00 0.00 C ATOM 1345 O HIS B 36 -5.134 -3.034 -0.477 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.692 -4.478 2.579 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.654 -5.264 3.427 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.298 -5.780 4.662 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.962 -5.632 3.229 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -6.370 -6.427 5.157 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -7.412 -6.366 4.323 1.00 0.00 N ATOM 0 H HIS B 36 -3.747 -6.497 1.727 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.974 -4.933 0.872 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.666 -4.708 2.865 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.836 -3.410 2.741 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -7.552 -5.389 2.357 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -6.386 -6.933 6.111 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -8.338 -6.770 4.459 1.00 0.00 H new ATOM 1359 N ALA B 37 -3.089 -3.508 0.176 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.507 -2.441 -0.694 1.00 0.00 C ATOM 1361 C ALA B 37 -3.075 -2.552 -2.115 1.00 0.00 C ATOM 1362 O ALA B 37 -3.332 -1.561 -2.770 1.00 0.00 O ATOM 1363 CB ALA B 37 -1.002 -2.713 -0.698 1.00 0.00 C ATOM 0 H ALA B 37 -2.410 -4.039 0.722 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.740 -1.439 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.500 -1.970 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.619 -2.655 0.321 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.813 -3.708 -1.101 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.284 -3.753 -2.588 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.847 -3.928 -3.958 1.00 0.00 C ATOM 1371 C GLN B 38 -5.273 -3.379 -3.998 1.00 0.00 C ATOM 1372 O GLN B 38 -5.703 -2.802 -4.977 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.842 -5.437 -4.206 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.734 -5.789 -5.199 1.00 0.00 C ATOM 1375 CD GLN B 38 -3.272 -6.775 -6.236 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -4.055 -6.410 -7.091 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -2.882 -8.020 -6.198 1.00 0.00 N ATOM 0 H GLN B 38 -3.089 -4.619 -2.085 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.273 -3.397 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.686 -5.970 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.809 -5.755 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.373 -4.887 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.885 -6.225 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.225 -8.327 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -3.234 -8.686 -6.886 1.00 0.00 H new ATOM 1386 N ASN B 39 -6.006 -3.543 -2.930 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.400 -3.019 -2.890 1.00 0.00 C ATOM 1388 C ASN B 39 -7.405 -1.606 -2.298 1.00 0.00 C ATOM 1389 O ASN B 39 -8.416 -1.120 -1.831 1.00 0.00 O ATOM 1390 CB ASN B 39 -8.163 -3.985 -1.984 1.00 0.00 C ATOM 1391 CG ASN B 39 -8.180 -5.376 -2.620 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -7.939 -5.520 -3.802 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.458 -6.415 -1.880 1.00 0.00 N ATOM 0 H ASN B 39 -5.698 -4.019 -2.082 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.851 -2.955 -3.880 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.692 -4.028 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.182 -3.630 -1.833 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.473 -7.347 -2.294 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.660 -6.295 -0.888 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.276 -0.946 -2.314 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.195 0.434 -1.758 1.00 0.00 C ATOM 1402 C LEU B 40 -6.684 0.465 -0.309 1.00 0.00 C ATOM 1403 O LEU B 40 -7.103 1.489 0.191 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.094 1.285 -2.656 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.388 1.539 -3.989 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.613 0.348 -4.921 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -6.956 2.805 -4.634 1.00 0.00 C ATOM 0 H LEU B 40 -5.401 -1.309 -2.692 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.171 0.806 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.043 0.776 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.323 2.232 -2.167 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.320 1.667 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.110 0.529 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.209 -0.554 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.681 0.219 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.453 2.986 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.024 2.677 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.796 3.655 -3.971 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.618 -0.643 0.375 1.00 0.00 N ATOM 1420 CA GLU B 41 -7.061 -0.660 1.799 1.00 0.00 C ATOM 1421 C GLU B 41 -6.109 0.199 2.628 1.00 0.00 C ATOM 1422 O GLU B 41 -6.521 1.047 3.394 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.983 -2.124 2.227 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.383 -2.626 2.585 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.250 -2.668 1.326 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -8.936 -1.950 0.391 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.213 -3.417 1.317 1.00 0.00 O ATOM 0 H GLU B 41 -6.278 -1.534 0.013 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.067 -0.262 1.935 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.564 -2.727 1.422 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.317 -2.229 3.084 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.322 -3.619 3.030 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.836 -1.971 3.329 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.832 -0.009 2.461 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.829 0.794 3.216 1.00 0.00 C ATOM 1436 C PHE B 42 -4.163 0.835 4.705 1.00 0.00 C ATOM 1437 O PHE B 42 -5.092 0.198 5.155 1.00 0.00 O ATOM 1438 CB PHE B 42 -3.910 2.195 2.612 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.013 2.285 1.401 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.689 1.797 1.463 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -3.499 2.862 0.206 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -0.850 1.889 0.331 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -2.658 2.955 -0.925 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.334 2.467 -0.862 1.00 0.00 C ATOM 0 H PHE B 42 -4.438 -0.706 1.829 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.830 0.366 3.138 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -4.939 2.420 2.331 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.612 2.937 3.352 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.319 1.354 2.376 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -4.513 3.232 0.158 1.00 0.00 H new ATOM 0 HE1 PHE B 42 0.163 1.517 0.378 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.027 3.399 -1.838 1.00 0.00 H new ATOM 0 HZ PHE B 42 -0.692 2.536 -1.727 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.380 1.570 5.459 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.565 1.689 6.938 1.00 0.00 C ATOM 1456 C GLU B 43 -3.299 0.337 7.587 1.00 0.00 C ATOM 1457 O GLU B 43 -2.388 0.175 8.370 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.014 2.139 7.166 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.296 2.177 8.668 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.798 2.344 8.904 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.543 1.468 8.496 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -7.177 3.345 9.488 1.00 0.00 O ATOM 0 H GLU B 43 -2.594 2.110 5.095 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.876 2.408 7.380 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.175 3.124 6.728 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.703 1.454 6.671 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.944 1.259 9.138 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.751 3.000 9.130 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.082 -0.631 7.246 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.888 -1.994 7.807 1.00 0.00 C ATOM 1471 C GLU B 44 -2.798 -2.733 7.024 1.00 0.00 C ATOM 1472 O GLU B 44 -2.079 -3.552 7.563 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.244 -2.690 7.649 1.00 0.00 C ATOM 1474 CG GLU B 44 -5.572 -2.871 6.164 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.862 -3.679 6.022 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -7.111 -4.515 6.874 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.581 -3.447 5.063 1.00 0.00 O ATOM 0 H GLU B 44 -4.861 -0.542 6.594 1.00 0.00 H new ATOM 0 HA GLU B 44 -3.569 -1.973 8.849 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.224 -3.660 8.146 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.023 -2.100 8.132 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.685 -1.899 5.684 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.752 -3.382 5.659 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.678 -2.460 5.749 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.645 -3.159 4.930 1.00 0.00 C ATOM 1486 C ALA B 45 -0.267 -2.522 5.113 1.00 0.00 C ATOM 1487 O ALA B 45 0.727 -3.205 5.259 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.114 -2.995 3.484 1.00 0.00 C ATOM 0 H ALA B 45 -3.250 -1.785 5.242 1.00 0.00 H new ATOM 0 HA ALA B 45 -1.542 -4.204 5.222 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.406 -3.483 2.814 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.097 -3.450 3.367 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.173 -1.935 3.239 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.192 -1.221 5.089 1.00 0.00 N ATOM 1495 CA ALA B 46 1.133 -0.554 5.241 1.00 0.00 C ATOM 1496 C ALA B 46 1.605 -0.609 6.696 1.00 0.00 C ATOM 1497 O ALA B 46 2.784 -0.716 6.965 1.00 0.00 O ATOM 1498 CB ALA B 46 0.904 0.888 4.790 1.00 0.00 C ATOM 0 H ALA B 46 -0.986 -0.592 4.971 1.00 0.00 H new ATOM 0 HA ALA B 46 1.909 -1.043 4.653 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.836 1.447 4.872 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.566 0.896 3.754 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.146 1.351 5.422 1.00 0.00 H new ATOM 1504 N GLN B 47 0.706 -0.542 7.641 1.00 0.00 N ATOM 1505 CA GLN B 47 1.135 -0.598 9.070 1.00 0.00 C ATOM 1506 C GLN B 47 1.980 -1.851 9.313 1.00 0.00 C ATOM 1507 O GLN B 47 2.797 -1.897 10.210 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.159 -0.666 9.881 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.597 0.751 10.261 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.859 0.682 11.123 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -2.539 -0.324 11.145 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -2.201 1.718 11.840 1.00 0.00 N ATOM 0 H GLN B 47 -0.298 -0.452 7.489 1.00 0.00 H new ATOM 0 HA GLN B 47 1.742 0.263 9.349 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.940 -1.156 9.300 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.007 -1.265 10.779 1.00 0.00 H new ATOM 0 HG2 GLN B 47 0.201 1.256 10.806 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -0.789 1.337 9.362 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -1.629 2.563 11.821 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -3.040 1.683 12.419 1.00 0.00 H new ATOM 1521 N ILE B 48 1.790 -2.867 8.517 1.00 0.00 N ATOM 1522 CA ILE B 48 2.581 -4.116 8.700 1.00 0.00 C ATOM 1523 C ILE B 48 4.070 -3.835 8.487 1.00 0.00 C ATOM 1524 O ILE B 48 4.921 -4.518 9.021 1.00 0.00 O ATOM 1525 CB ILE B 48 2.057 -5.077 7.634 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.575 -5.363 7.892 1.00 0.00 C ATOM 1527 CG2 ILE B 48 2.845 -6.387 7.695 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.051 -6.336 6.835 1.00 0.00 C ATOM 0 H ILE B 48 1.121 -2.886 7.747 1.00 0.00 H new ATOM 0 HA ILE B 48 2.477 -4.527 9.704 1.00 0.00 H new ATOM 0 HB ILE B 48 2.176 -4.627 6.649 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.443 -5.786 8.888 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.004 -4.435 7.862 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.471 -7.072 6.934 1.00 0.00 H new ATOM 0 HG22 ILE B 48 3.901 -6.185 7.514 1.00 0.00 H new ATOM 0 HG23 ILE B 48 2.725 -6.838 8.680 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -1.004 -6.539 7.019 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.168 -5.896 5.845 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.615 -7.268 6.887 1.00 0.00 H new ATOM 1540 N ARG B 49 4.395 -2.833 7.713 1.00 0.00 N ATOM 1541 CA ARG B 49 5.834 -2.516 7.476 1.00 0.00 C ATOM 1542 C ARG B 49 6.561 -2.359 8.815 1.00 0.00 C ATOM 1543 O ARG B 49 7.753 -2.572 8.916 1.00 0.00 O ATOM 1544 CB ARG B 49 5.833 -1.197 6.694 1.00 0.00 C ATOM 1545 CG ARG B 49 5.296 -0.066 7.576 1.00 0.00 C ATOM 1546 CD ARG B 49 6.467 0.690 8.206 1.00 0.00 C ATOM 1547 NE ARG B 49 5.983 1.092 9.556 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.755 1.785 10.347 1.00 0.00 C ATOM 1549 NH1 ARG B 49 7.989 1.410 10.548 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.294 2.855 10.936 1.00 0.00 N ATOM 0 H ARG B 49 3.730 -2.223 7.237 1.00 0.00 H new ATOM 0 HA ARG B 49 6.349 -3.304 6.927 1.00 0.00 H new ATOM 0 HB2 ARG B 49 6.844 -0.961 6.361 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.218 -1.295 5.800 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.687 0.615 6.982 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.651 -0.473 8.355 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.353 0.059 8.276 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.742 1.560 7.610 1.00 0.00 H new ATOM 0 HE ARG B 49 5.047 0.825 9.862 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.350 0.575 10.087 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.592 1.952 11.166 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.330 3.149 10.778 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.898 3.397 11.554 1.00 0.00 H new ATOM 1564 N ASP B 50 5.846 -1.993 9.844 1.00 0.00 N ATOM 1565 CA ASP B 50 6.488 -1.828 11.178 1.00 0.00 C ATOM 1566 C ASP B 50 6.714 -3.199 11.818 1.00 0.00 C ATOM 1567 O ASP B 50 7.738 -3.453 12.420 1.00 0.00 O ATOM 1568 CB ASP B 50 5.493 -1.008 11.999 1.00 0.00 C ATOM 1569 CG ASP B 50 6.254 -0.090 12.958 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.089 -0.594 13.692 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.990 1.101 12.942 1.00 0.00 O ATOM 0 H ASP B 50 4.845 -1.801 9.818 1.00 0.00 H new ATOM 0 HA ASP B 50 7.460 -1.339 11.116 1.00 0.00 H new ATOM 0 HB2 ASP B 50 4.861 -0.416 11.337 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.835 -1.671 12.560 1.00 0.00 H new ATOM 1576 N GLN B 51 5.766 -4.087 11.689 1.00 0.00 N ATOM 1577 CA GLN B 51 5.929 -5.443 12.285 1.00 0.00 C ATOM 1578 C GLN B 51 7.086 -6.176 11.603 1.00 0.00 C ATOM 1579 O GLN B 51 7.834 -6.898 12.232 1.00 0.00 O ATOM 1580 CB GLN B 51 4.606 -6.158 12.014 1.00 0.00 C ATOM 1581 CG GLN B 51 3.465 -5.397 12.695 1.00 0.00 C ATOM 1582 CD GLN B 51 2.127 -6.025 12.303 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.147 -5.331 12.124 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.044 -7.320 12.163 1.00 0.00 N ATOM 0 H GLN B 51 4.886 -3.932 11.197 1.00 0.00 H new ATOM 0 HA GLN B 51 6.157 -5.404 13.350 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.427 -6.219 10.941 1.00 0.00 H new ATOM 0 HB3 GLN B 51 4.650 -7.181 12.389 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.589 -5.426 13.777 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.487 -4.348 12.400 1.00 0.00 H new ATOM 0 HE21 GLN B 51 2.867 -7.903 12.313 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.156 -7.749 11.903 1.00 0.00 H new ATOM 1593 N LEU B 52 7.240 -5.993 10.320 1.00 0.00 N ATOM 1594 CA LEU B 52 8.351 -6.675 9.597 1.00 0.00 C ATOM 1595 C LEU B 52 9.695 -6.073 10.015 1.00 0.00 C ATOM 1596 O LEU B 52 10.662 -6.778 10.232 1.00 0.00 O ATOM 1597 CB LEU B 52 8.083 -6.410 8.114 1.00 0.00 C ATOM 1598 CG LEU B 52 7.780 -7.731 7.406 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.981 -8.670 7.536 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.554 -8.384 8.049 1.00 0.00 C ATOM 0 H LEU B 52 6.645 -5.401 9.741 1.00 0.00 H new ATOM 0 HA LEU B 52 8.395 -7.742 9.817 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.243 -5.724 8.002 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.949 -5.931 7.657 1.00 0.00 H new ATOM 0 HG LEU B 52 7.582 -7.539 6.352 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.763 -9.611 7.031 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.856 -8.207 7.080 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.180 -8.862 8.590 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.337 -9.326 7.545 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.754 -8.574 9.103 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.696 -7.717 7.957 1.00 0.00 H new ATOM 1612 N HIS B 53 9.763 -4.776 10.134 1.00 0.00 N ATOM 1613 CA HIS B 53 11.044 -4.131 10.542 1.00 0.00 C ATOM 1614 C HIS B 53 11.546 -4.748 11.850 1.00 0.00 C ATOM 1615 O HIS B 53 12.723 -4.996 12.020 1.00 0.00 O ATOM 1616 CB HIS B 53 10.698 -2.655 10.744 1.00 0.00 C ATOM 1617 CG HIS B 53 11.281 -1.846 9.617 1.00 0.00 C ATOM 1618 ND1 HIS B 53 11.814 -0.582 9.815 1.00 0.00 N ATOM 1619 CD2 HIS B 53 11.421 -2.107 8.277 1.00 0.00 C ATOM 1620 CE1 HIS B 53 12.246 -0.133 8.622 1.00 0.00 C ATOM 1621 NE2 HIS B 53 12.031 -1.025 7.650 1.00 0.00 N ATOM 0 H HIS B 53 8.988 -4.135 9.967 1.00 0.00 H new ATOM 0 HA HIS B 53 11.832 -4.266 9.801 1.00 0.00 H new ATOM 0 HB2 HIS B 53 9.616 -2.525 10.778 1.00 0.00 H new ATOM 0 HB3 HIS B 53 11.091 -2.305 11.699 1.00 0.00 H new ATOM 0 HD2 HIS B 53 11.106 -3.015 7.784 1.00 0.00 H new ATOM 0 HE1 HIS B 53 12.710 0.830 8.469 1.00 0.00 H new ATOM 0 HE2 HIS B 53 12.264 -0.932 6.661 1.00 0.00 H new ATOM 1629 N GLN B 54 10.661 -5.000 12.775 1.00 0.00 N ATOM 1630 CA GLN B 54 11.086 -5.605 14.069 1.00 0.00 C ATOM 1631 C GLN B 54 11.267 -7.116 13.908 1.00 0.00 C ATOM 1632 O GLN B 54 12.078 -7.730 14.573 1.00 0.00 O ATOM 1633 CB GLN B 54 9.944 -5.303 15.041 1.00 0.00 C ATOM 1634 CG GLN B 54 9.776 -3.789 15.177 1.00 0.00 C ATOM 1635 CD GLN B 54 8.294 -3.453 15.351 1.00 0.00 C ATOM 1636 OE1 GLN B 54 7.439 -4.281 15.112 1.00 0.00 O ATOM 1637 NE2 GLN B 54 7.951 -2.261 15.760 1.00 0.00 N ATOM 0 H GLN B 54 9.662 -4.813 12.691 1.00 0.00 H new ATOM 0 HA GLN B 54 12.037 -5.205 14.421 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.018 -5.751 14.681 1.00 0.00 H new ATOM 0 HB3 GLN B 54 10.155 -5.745 16.015 1.00 0.00 H new ATOM 0 HG2 GLN B 54 10.345 -3.425 16.032 1.00 0.00 H new ATOM 0 HG3 GLN B 54 10.172 -3.288 14.294 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.669 -1.565 15.961 1.00 0.00 H new ATOM 0 HE22 GLN B 54 6.965 -2.026 15.878 1.00 0.00 H new ATOM 1646 N LEU B 55 10.512 -7.721 13.031 1.00 0.00 N ATOM 1647 CA LEU B 55 10.636 -9.193 12.827 1.00 0.00 C ATOM 1648 C LEU B 55 11.972 -9.534 12.169 1.00 0.00 C ATOM 1649 O LEU B 55 12.606 -10.517 12.499 1.00 0.00 O ATOM 1650 CB LEU B 55 9.473 -9.562 11.904 1.00 0.00 C ATOM 1651 CG LEU B 55 8.367 -10.234 12.720 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.025 -9.571 12.406 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.296 -11.719 12.355 1.00 0.00 C ATOM 0 H LEU B 55 9.815 -7.259 12.447 1.00 0.00 H new ATOM 0 HA LEU B 55 10.603 -9.741 13.768 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.086 -8.669 11.414 1.00 0.00 H new ATOM 0 HB3 LEU B 55 9.818 -10.233 11.117 1.00 0.00 H new ATOM 0 HG LEU B 55 8.586 -10.128 13.783 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.238 -10.050 12.988 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.073 -8.513 12.663 1.00 0.00 H new ATOM 0 HD13 LEU B 55 6.807 -9.677 11.343 1.00 0.00 H new ATOM 0 HD21 LEU B 55 7.508 -12.199 12.936 1.00 0.00 H new ATOM 0 HD22 LEU B 55 8.078 -11.822 11.292 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.251 -12.194 12.577 1.00 0.00 H new ATOM 1665 N ARG B 56 12.406 -8.733 11.237 1.00 0.00 N ATOM 1666 CA ARG B 56 13.700 -9.017 10.558 1.00 0.00 C ATOM 1667 C ARG B 56 14.839 -9.059 11.582 1.00 0.00 C ATOM 1668 O ARG B 56 15.874 -9.651 11.350 1.00 0.00 O ATOM 1669 CB ARG B 56 13.886 -7.860 9.575 1.00 0.00 C ATOM 1670 CG ARG B 56 14.097 -6.551 10.339 1.00 0.00 C ATOM 1671 CD ARG B 56 15.535 -6.066 10.137 1.00 0.00 C ATOM 1672 NE ARG B 56 15.698 -4.935 11.092 1.00 0.00 N ATOM 1673 CZ ARG B 56 16.886 -4.454 11.336 1.00 0.00 C ATOM 1674 NH1 ARG B 56 17.778 -4.403 10.385 1.00 0.00 N ATOM 1675 NH2 ARG B 56 17.182 -4.022 12.531 1.00 0.00 N ATOM 0 H ARG B 56 11.921 -7.895 10.916 1.00 0.00 H new ATOM 0 HA ARG B 56 13.704 -9.983 10.052 1.00 0.00 H new ATOM 0 HB2 ARG B 56 14.742 -8.055 8.929 1.00 0.00 H new ATOM 0 HB3 ARG B 56 13.012 -7.777 8.929 1.00 0.00 H new ATOM 0 HG2 ARG B 56 13.395 -5.795 9.987 1.00 0.00 H new ATOM 0 HG3 ARG B 56 13.899 -6.701 11.400 1.00 0.00 H new ATOM 0 HD2 ARG B 56 16.252 -6.861 10.341 1.00 0.00 H new ATOM 0 HD3 ARG B 56 15.702 -5.742 9.110 1.00 0.00 H new ATOM 0 HE ARG B 56 14.881 -4.537 11.555 1.00 0.00 H new ATOM 0 HH11 ARG B 56 17.547 -4.739 9.450 1.00 0.00 H new ATOM 0 HH12 ARG B 56 18.707 -4.027 10.576 1.00 0.00 H new ATOM 0 HH21 ARG B 56 16.485 -4.060 13.274 1.00 0.00 H new ATOM 0 HH22 ARG B 56 18.111 -3.646 12.722 1.00 0.00 H new ATOM 1689 N GLU B 57 14.653 -8.438 12.715 1.00 0.00 N ATOM 1690 CA GLU B 57 15.724 -8.447 13.754 1.00 0.00 C ATOM 1691 C GLU B 57 15.924 -9.867 14.284 1.00 0.00 C ATOM 1692 O GLU B 57 17.032 -10.298 14.533 1.00 0.00 O ATOM 1693 CB GLU B 57 15.211 -7.527 14.865 1.00 0.00 C ATOM 1694 CG GLU B 57 14.852 -6.161 14.276 1.00 0.00 C ATOM 1695 CD GLU B 57 14.735 -5.135 15.405 1.00 0.00 C ATOM 1696 OE1 GLU B 57 14.032 -5.414 16.363 1.00 0.00 O ATOM 1697 OE2 GLU B 57 15.348 -4.087 15.292 1.00 0.00 O ATOM 0 H GLU B 57 13.808 -7.926 12.967 1.00 0.00 H new ATOM 0 HA GLU B 57 16.684 -8.112 13.362 1.00 0.00 H new ATOM 0 HB2 GLU B 57 14.337 -7.969 15.343 1.00 0.00 H new ATOM 0 HB3 GLU B 57 15.972 -7.413 15.637 1.00 0.00 H new ATOM 0 HG2 GLU B 57 15.615 -5.848 13.563 1.00 0.00 H new ATOM 0 HG3 GLU B 57 13.912 -6.225 13.729 1.00 0.00 H new ATOM 1704 N LEU B 58 14.857 -10.598 14.456 1.00 0.00 N ATOM 1705 CA LEU B 58 14.981 -11.993 14.968 1.00 0.00 C ATOM 1706 C LEU B 58 15.966 -12.787 14.104 1.00 0.00 C ATOM 1707 O LEU B 58 16.533 -13.770 14.537 1.00 0.00 O ATOM 1708 CB LEU B 58 13.575 -12.583 14.857 1.00 0.00 C ATOM 1709 CG LEU B 58 12.831 -12.380 16.178 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.377 -12.000 15.892 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.866 -13.680 16.986 1.00 0.00 C ATOM 0 H LEU B 58 13.904 -10.290 14.264 1.00 0.00 H new ATOM 0 HA LEU B 58 15.357 -12.026 15.991 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.031 -12.103 14.043 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.633 -13.645 14.619 1.00 0.00 H new ATOM 0 HG LEU B 58 13.310 -11.583 16.746 1.00 0.00 H new ATOM 0 HD11 LEU B 58 10.847 -11.855 16.833 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.349 -11.076 15.314 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.897 -12.797 15.324 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.336 -13.537 17.928 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.386 -14.476 16.416 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.901 -13.954 17.190 1.00 0.00 H new ATOM 1723 N PHE B 59 16.174 -12.365 12.886 1.00 0.00 N ATOM 1724 CA PHE B 59 17.121 -13.095 11.995 1.00 0.00 C ATOM 1725 C PHE B 59 18.474 -13.272 12.691 1.00 0.00 C ATOM 1726 O PHE B 59 19.132 -14.282 12.543 1.00 0.00 O ATOM 1727 CB PHE B 59 17.266 -12.206 10.760 1.00 0.00 C ATOM 1728 CG PHE B 59 18.265 -12.822 9.810 1.00 0.00 C ATOM 1729 CD1 PHE B 59 19.642 -12.534 9.947 1.00 0.00 C ATOM 1730 CD2 PHE B 59 17.824 -13.686 8.782 1.00 0.00 C ATOM 1731 CE1 PHE B 59 20.577 -13.110 9.059 1.00 0.00 C ATOM 1732 CE2 PHE B 59 18.759 -14.263 7.893 1.00 0.00 C ATOM 1733 CZ PHE B 59 20.135 -13.974 8.032 1.00 0.00 C ATOM 0 H PHE B 59 15.729 -11.547 12.470 1.00 0.00 H new ATOM 0 HA PHE B 59 16.763 -14.092 11.740 1.00 0.00 H new ATOM 0 HB2 PHE B 59 16.301 -12.092 10.266 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.594 -11.209 11.053 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.979 -11.873 10.731 1.00 0.00 H new ATOM 0 HD2 PHE B 59 16.772 -13.905 8.676 1.00 0.00 H new ATOM 0 HE1 PHE B 59 21.629 -12.890 9.165 1.00 0.00 H new ATOM 0 HE2 PHE B 59 18.422 -14.924 7.108 1.00 0.00 H new ATOM 0 HZ PHE B 59 20.850 -14.414 7.352 1.00 0.00 H new ATOM 1743 N ILE B 60 18.892 -12.297 13.451 1.00 0.00 N ATOM 1744 CA ILE B 60 20.199 -12.410 14.157 1.00 0.00 C ATOM 1745 C ILE B 60 20.081 -13.385 15.332 1.00 0.00 C ATOM 1746 O ILE B 60 20.952 -14.199 15.565 1.00 0.00 O ATOM 1747 CB ILE B 60 20.503 -10.999 14.658 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.599 -10.045 13.465 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.831 -11.000 15.417 1.00 0.00 C ATOM 1750 CD1 ILE B 60 19.832 -8.758 13.777 1.00 0.00 C ATOM 0 H ILE B 60 18.385 -11.427 13.613 1.00 0.00 H new ATOM 0 HA ILE B 60 20.988 -12.789 13.508 1.00 0.00 H new ATOM 0 HB ILE B 60 19.705 -10.671 15.324 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.643 -9.816 13.252 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.188 -10.519 12.573 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.047 -9.993 15.774 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.764 -11.680 16.267 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.630 -11.328 14.752 1.00 0.00 H new ATOM 0 HD11 ILE B 60 19.900 -8.079 12.927 1.00 0.00 H new ATOM 0 HD12 ILE B 60 18.786 -8.995 13.968 1.00 0.00 H new ATOM 0 HD13 ILE B 60 20.263 -8.282 14.658 1.00 0.00 H new ATOM 1762 N ALA B 61 19.008 -13.308 16.071 1.00 0.00 N ATOM 1763 CA ALA B 61 18.834 -14.232 17.229 1.00 0.00 C ATOM 1764 C ALA B 61 18.652 -15.669 16.734 1.00 0.00 C ATOM 1765 O ALA B 61 18.883 -16.618 17.456 1.00 0.00 O ATOM 1766 CB ALA B 61 17.569 -13.745 17.936 1.00 0.00 C ATOM 0 H ALA B 61 18.245 -12.647 15.924 1.00 0.00 H new ATOM 0 HA ALA B 61 19.698 -14.231 17.893 1.00 0.00 H new ATOM 0 HB1 ALA B 61 17.371 -14.375 18.803 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.708 -12.714 18.261 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.725 -13.798 17.249 1.00 0.00 H new ATOM 1772 N ALA B 62 18.240 -15.837 15.506 1.00 0.00 N ATOM 1773 CA ALA B 62 18.046 -17.213 14.966 1.00 0.00 C ATOM 1774 C ALA B 62 19.216 -17.593 14.055 1.00 0.00 C ATOM 1775 O ALA B 62 19.920 -18.553 14.301 1.00 0.00 O ATOM 1776 CB ALA B 62 16.744 -17.143 14.166 1.00 0.00 C ATOM 0 H ALA B 62 18.030 -15.081 14.854 1.00 0.00 H new ATOM 0 HA ALA B 62 18.001 -17.964 15.754 1.00 0.00 H new ATOM 0 HB1 ALA B 62 16.529 -18.120 13.734 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.927 -16.851 14.826 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.847 -16.408 13.368 1.00 0.00 H new ATOM 1782 N SER B 63 19.429 -16.849 13.004 1.00 0.00 N ATOM 1783 CA SER B 63 20.555 -17.169 12.080 1.00 0.00 C ATOM 1784 C SER B 63 21.847 -16.509 12.571 1.00 0.00 C ATOM 1785 O SER B 63 22.907 -16.943 12.152 1.00 0.00 O ATOM 1786 CB SER B 63 20.137 -16.589 10.731 1.00 0.00 C ATOM 1787 OG SER B 63 20.686 -17.382 9.688 1.00 0.00 O ATOM 1788 OXT SER B 63 21.753 -15.581 13.357 1.00 0.00 O ATOM 0 H SER B 63 18.873 -16.034 12.745 1.00 0.00 H new ATOM 0 HA SER B 63 20.749 -18.240 12.021 1.00 0.00 H new ATOM 0 HB2 SER B 63 19.050 -16.567 10.653 1.00 0.00 H new ATOM 0 HB3 SER B 63 20.484 -15.560 10.642 1.00 0.00 H new ATOM 0 HG SER B 63 20.418 -17.013 8.821 1.00 0.00 H new TER 1794 SER B 63