USER MOD reduce.3.24.130724 H: found=0, std=0, add=1398, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 ASN : amide:sc= -4.6! C(o=-4.8!,f=-7.2!) USER MOD Set 1.2: A 52 CYS SG : rot -120:sc= -0.175 USER MOD Set 2.1: A 17 TYR OH : rot -46:sc= 1.02 USER MOD Set 2.2: A 125 SER OG : rot -35:sc= 1.09 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0731 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.649 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.698 X(o=-0.7,f=-0.31) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 20 MET CE :methyl -137:sc= -11.5! (180deg=-18.1!) USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 HIS :FLIP no HE2:sc= -4.24! C(o=-5.9!,f=-4.2!) USER MOD Single : A 29 THR OG1 : rot 120:sc= -1.1 USER MOD Single : A 30 ASN : amide:sc= 0.65 K(o=0.65,f=-5.8!) USER MOD Single : A 32 THR OG1 : rot 64:sc= 1.14 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.492 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.048) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 176:sc= 0.445 USER MOD Single : A 46 THR OG1 : rot -43:sc= -3.67! USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.0132 USER MOD Single : A 55 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.594 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -160:sc= -1.1 USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.148 (180deg=-1.21!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 80:sc= -0.521 USER MOD Single : A 102 CYS SG : rot -75:sc= -2.9! USER MOD Single : A 106 HIS :FLIP no HD1:sc= -3.37! C(o=-5!,f=-3.4!) USER MOD Single : A 107 CYS SG : rot -170:sc= -1.35 USER MOD Single : A 127 MET CE :methyl -122:sc= -9.47! (180deg=-22.9!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 GLN : amide:sc=-0.00479 K(o=-0.0048,f=-0.66) USER MOD Single : A 139 LYS NZ :NH3+ -160:sc= -0.462 (180deg=-1.31) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0.0077 USER MOD Single : A 147 LYS NZ :NH3+ -138:sc= -4.06! (180deg=-5.36!) USER MOD Single : A 148 GLN : amide:sc= -4.6! C(o=-4.6!,f=-8.1!) USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 90:sc= -4.16! USER MOD Single : A 154 LYS NZ :NH3+ -141:sc= 0.697 (180deg=-0.303) USER MOD Single : A 155 TYR OH : rot 22:sc= -4.9! USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN :FLIP amide:sc= -0.716 F(o=-2.2,f=-0.72) USER MOD Single : A 164 LYS NZ :NH3+ -174:sc= -0.0341 (180deg=-0.112) USER MOD Single : A 167 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0.0034) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.0102 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.892 6.521 -34.702 1.00 0.00 N ATOM 2 CA GLY A 1 -22.816 6.738 -33.231 1.00 0.00 C ATOM 3 C GLY A 1 -21.388 6.789 -32.725 1.00 0.00 C ATOM 4 O GLY A 1 -20.441 6.749 -33.511 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.458 7.278 -35.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.933 6.531 -35.104 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.338 5.602 -34.895 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.321 7.670 -32.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.351 5.937 -32.721 1.00 0.00 H new ATOM 10 N SER A 2 -21.231 6.881 -31.408 1.00 0.00 N ATOM 11 CA SER A 2 -19.908 6.937 -30.798 1.00 0.00 C ATOM 12 C SER A 2 -19.980 6.613 -29.310 1.00 0.00 C ATOM 13 O SER A 2 -20.155 7.504 -28.478 1.00 0.00 O ATOM 14 CB SER A 2 -19.290 8.323 -31.000 1.00 0.00 C ATOM 15 OG SER A 2 -18.502 8.362 -32.178 1.00 0.00 O ATOM 0 H SER A 2 -22.004 6.918 -30.743 1.00 0.00 H new ATOM 0 HA SER A 2 -19.279 6.191 -31.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.080 9.072 -31.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.674 8.580 -30.138 1.00 0.00 H new ATOM 0 HG SER A 2 -18.952 7.861 -32.890 1.00 0.00 H new ATOM 21 N HIS A 3 -19.845 5.332 -28.981 1.00 0.00 N ATOM 22 CA HIS A 3 -19.894 4.891 -27.592 1.00 0.00 C ATOM 23 C HIS A 3 -18.512 4.472 -27.106 1.00 0.00 C ATOM 24 O HIS A 3 -17.984 3.439 -27.519 1.00 0.00 O ATOM 25 CB HIS A 3 -20.876 3.727 -27.441 1.00 0.00 C ATOM 26 CG HIS A 3 -22.311 4.153 -27.425 1.00 0.00 C ATOM 27 ND1 HIS A 3 -22.973 4.528 -26.275 1.00 0.00 N ATOM 28 CD2 HIS A 3 -23.215 4.263 -28.428 1.00 0.00 C ATOM 29 CE1 HIS A 3 -24.220 4.850 -26.569 1.00 0.00 C ATOM 30 NE2 HIS A 3 -24.392 4.698 -27.869 1.00 0.00 N ATOM 0 H HIS A 3 -19.701 4.582 -29.657 1.00 0.00 H new ATOM 0 HA HIS A 3 -20.235 5.727 -26.982 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.723 3.025 -28.260 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.654 3.192 -26.517 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -23.042 4.049 -29.472 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.970 5.181 -25.866 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -25.259 4.875 -28.376 1.00 0.00 H new ATOM 38 N MET A 4 -17.931 5.279 -26.224 1.00 0.00 N ATOM 39 CA MET A 4 -16.608 4.991 -25.680 1.00 0.00 C ATOM 40 C MET A 4 -16.482 5.510 -24.252 1.00 0.00 C ATOM 41 O MET A 4 -16.021 4.798 -23.360 1.00 0.00 O ATOM 42 CB MET A 4 -15.525 5.616 -26.561 1.00 0.00 C ATOM 43 CG MET A 4 -14.277 4.758 -26.692 1.00 0.00 C ATOM 44 SD MET A 4 -13.597 4.768 -28.362 1.00 0.00 S ATOM 45 CE MET A 4 -12.264 5.950 -28.178 1.00 0.00 C ATOM 0 H MET A 4 -18.355 6.137 -25.871 1.00 0.00 H new ATOM 0 HA MET A 4 -16.475 3.909 -25.666 1.00 0.00 H new ATOM 0 HB2 MET A 4 -15.936 5.798 -27.554 1.00 0.00 H new ATOM 0 HB3 MET A 4 -15.247 6.586 -26.148 1.00 0.00 H new ATOM 0 HG2 MET A 4 -13.520 5.116 -25.994 1.00 0.00 H new ATOM 0 HG3 MET A 4 -14.514 3.733 -26.407 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.746 6.065 -29.130 1.00 0.00 H new ATOM 0 HE2 MET A 4 -12.671 6.912 -27.868 1.00 0.00 H new ATOM 0 HE3 MET A 4 -11.562 5.593 -27.424 1.00 0.00 H new ATOM 55 N ALA A 5 -16.894 6.756 -24.042 1.00 0.00 N ATOM 56 CA ALA A 5 -16.827 7.371 -22.722 1.00 0.00 C ATOM 57 C ALA A 5 -18.065 7.035 -21.897 1.00 0.00 C ATOM 58 O ALA A 5 -19.158 7.532 -22.169 1.00 0.00 O ATOM 59 CB ALA A 5 -16.668 8.878 -22.850 1.00 0.00 C ATOM 0 H ALA A 5 -17.278 7.359 -24.769 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.957 6.968 -22.204 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.619 9.324 -21.857 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.750 9.102 -23.394 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -17.520 9.289 -23.391 1.00 0.00 H new ATOM 65 N ARG A 6 -17.885 6.190 -20.888 1.00 0.00 N ATOM 66 CA ARG A 6 -18.989 5.788 -20.022 1.00 0.00 C ATOM 67 C ARG A 6 -18.881 6.462 -18.657 1.00 0.00 C ATOM 68 O ARG A 6 -19.855 7.019 -18.151 1.00 0.00 O ATOM 69 CB ARG A 6 -19.006 4.266 -19.855 1.00 0.00 C ATOM 70 CG ARG A 6 -20.332 3.629 -20.235 1.00 0.00 C ATOM 71 CD ARG A 6 -20.283 3.013 -21.625 1.00 0.00 C ATOM 72 NE ARG A 6 -19.939 1.593 -21.584 1.00 0.00 N ATOM 73 CZ ARG A 6 -18.715 1.112 -21.803 1.00 0.00 C ATOM 74 NH1 ARG A 6 -17.706 1.929 -22.084 1.00 0.00 N ATOM 75 NH2 ARG A 6 -18.499 -0.194 -21.740 1.00 0.00 N ATOM 0 H ARG A 6 -16.987 5.770 -20.649 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.921 6.104 -20.490 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.215 3.832 -20.467 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.778 4.020 -18.818 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.589 2.861 -19.506 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.121 4.381 -20.198 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.251 3.137 -22.111 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.551 3.546 -22.232 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.683 0.927 -21.374 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.864 2.936 -22.134 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.774 1.550 -22.250 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.268 -0.828 -21.524 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.564 -0.565 -21.907 1.00 0.00 H new ATOM 89 N MET A 7 -17.691 6.406 -18.067 1.00 0.00 N ATOM 90 CA MET A 7 -17.457 7.010 -16.760 1.00 0.00 C ATOM 91 C MET A 7 -16.447 8.149 -16.861 1.00 0.00 C ATOM 92 O MET A 7 -15.736 8.275 -17.858 1.00 0.00 O ATOM 93 CB MET A 7 -16.957 5.955 -15.771 1.00 0.00 C ATOM 94 CG MET A 7 -17.827 4.710 -15.719 1.00 0.00 C ATOM 95 SD MET A 7 -17.562 3.741 -14.222 1.00 0.00 S ATOM 96 CE MET A 7 -16.150 2.752 -14.704 1.00 0.00 C ATOM 0 H MET A 7 -16.874 5.949 -18.473 1.00 0.00 H new ATOM 0 HA MET A 7 -18.402 7.417 -16.400 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.941 5.667 -16.042 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.908 6.396 -14.775 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.876 5.001 -15.778 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.619 4.089 -16.591 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.865 2.098 -13.880 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.409 2.148 -15.574 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.315 3.407 -14.952 1.00 0.00 H new ATOM 106 N ASN A 8 -16.390 8.976 -15.823 1.00 0.00 N ATOM 107 CA ASN A 8 -15.468 10.105 -15.794 1.00 0.00 C ATOM 108 C ASN A 8 -14.630 10.091 -14.519 1.00 0.00 C ATOM 109 O ASN A 8 -13.416 10.290 -14.561 1.00 0.00 O ATOM 110 CB ASN A 8 -16.239 11.423 -15.897 1.00 0.00 C ATOM 111 CG ASN A 8 -17.387 11.499 -14.910 1.00 0.00 C ATOM 112 OD1 ASN A 8 -18.501 11.064 -15.199 1.00 0.00 O ATOM 113 ND2 ASN A 8 -17.119 12.056 -13.733 1.00 0.00 N ATOM 0 H ASN A 8 -16.972 8.886 -14.990 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.798 10.016 -16.649 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.557 12.255 -15.721 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.626 11.536 -16.910 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.852 12.136 -13.028 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.181 12.404 -13.535 1.00 0.00 H new ATOM 120 N ARG A 9 -15.287 9.857 -13.388 1.00 0.00 N ATOM 121 CA ARG A 9 -14.602 9.820 -12.102 1.00 0.00 C ATOM 122 C ARG A 9 -14.040 8.424 -11.825 1.00 0.00 C ATOM 123 O ARG A 9 -14.750 7.427 -11.955 1.00 0.00 O ATOM 124 CB ARG A 9 -15.560 10.231 -10.980 1.00 0.00 C ATOM 125 CG ARG A 9 -15.117 11.474 -10.226 1.00 0.00 C ATOM 126 CD ARG A 9 -15.750 11.544 -8.847 1.00 0.00 C ATOM 127 NE ARG A 9 -15.141 12.583 -8.018 1.00 0.00 N ATOM 128 CZ ARG A 9 -15.246 12.629 -6.692 1.00 0.00 C ATOM 129 NH1 ARG A 9 -15.935 11.700 -6.040 1.00 0.00 N ATOM 130 NH2 ARG A 9 -14.662 13.607 -6.015 1.00 0.00 N ATOM 0 H ARG A 9 -16.292 9.690 -13.336 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.772 10.525 -12.138 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.549 10.407 -11.404 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.657 9.405 -10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.031 11.475 -10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.387 12.363 -10.797 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.818 11.739 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.648 10.578 -8.352 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.604 13.315 -8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.388 10.945 -6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.012 11.741 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.132 14.324 -6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.742 13.643 -4.999 1.00 0.00 H new ATOM 144 N PRO A 10 -12.753 8.332 -11.439 1.00 0.00 N ATOM 145 CA PRO A 10 -12.110 7.047 -11.147 1.00 0.00 C ATOM 146 C PRO A 10 -12.893 6.227 -10.129 1.00 0.00 C ATOM 147 O PRO A 10 -13.153 6.684 -9.016 1.00 0.00 O ATOM 148 CB PRO A 10 -10.748 7.449 -10.574 1.00 0.00 C ATOM 149 CG PRO A 10 -10.485 8.803 -11.133 1.00 0.00 C ATOM 150 CD PRO A 10 -11.828 9.467 -11.258 1.00 0.00 C ATOM 0 HA PRO A 10 -12.044 6.416 -12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.767 7.468 -9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.971 6.742 -10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.827 9.374 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.991 8.736 -12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.074 10.048 -10.369 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.861 10.152 -12.106 1.00 0.00 H new ATOM 158 N ALA A 11 -13.269 5.012 -10.517 1.00 0.00 N ATOM 159 CA ALA A 11 -14.023 4.128 -9.637 1.00 0.00 C ATOM 160 C ALA A 11 -13.097 3.410 -8.657 1.00 0.00 C ATOM 161 O ALA A 11 -12.102 2.809 -9.063 1.00 0.00 O ATOM 162 CB ALA A 11 -14.813 3.118 -10.456 1.00 0.00 C ATOM 0 H ALA A 11 -13.063 4.618 -11.435 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.720 4.736 -9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.372 2.464 -9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.507 3.644 -11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.127 2.521 -11.058 1.00 0.00 H new ATOM 168 N PRO A 12 -13.411 3.455 -7.348 1.00 0.00 N ATOM 169 CA PRO A 12 -12.594 2.799 -6.320 1.00 0.00 C ATOM 170 C PRO A 12 -12.433 1.306 -6.581 1.00 0.00 C ATOM 171 O PRO A 12 -13.201 0.714 -7.339 1.00 0.00 O ATOM 172 CB PRO A 12 -13.382 3.030 -5.026 1.00 0.00 C ATOM 173 CG PRO A 12 -14.247 4.210 -5.304 1.00 0.00 C ATOM 174 CD PRO A 12 -14.579 4.144 -6.768 1.00 0.00 C ATOM 0 HA PRO A 12 -11.581 3.200 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.979 2.156 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.714 3.220 -4.186 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.152 4.182 -4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.730 5.139 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -15.502 3.592 -6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.714 5.138 -7.196 1.00 0.00 H new ATOM 182 N VAL A 13 -11.434 0.699 -5.946 1.00 0.00 N ATOM 183 CA VAL A 13 -11.186 -0.729 -6.112 1.00 0.00 C ATOM 184 C VAL A 13 -10.859 -1.380 -4.776 1.00 0.00 C ATOM 185 O VAL A 13 -9.974 -0.923 -4.053 1.00 0.00 O ATOM 186 CB VAL A 13 -10.031 -0.996 -7.098 1.00 0.00 C ATOM 187 CG1 VAL A 13 -10.052 -2.445 -7.557 1.00 0.00 C ATOM 188 CG2 VAL A 13 -10.110 -0.052 -8.289 1.00 0.00 C ATOM 0 H VAL A 13 -10.786 1.171 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.100 -1.164 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.088 -0.811 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.231 -2.618 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.941 -3.102 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.999 -2.656 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.286 -0.258 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.057 -0.200 -8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.044 0.979 -7.941 1.00 0.00 H new ATOM 198 N GLU A 14 -11.584 -2.442 -4.444 1.00 0.00 N ATOM 199 CA GLU A 14 -11.372 -3.140 -3.184 1.00 0.00 C ATOM 200 C GLU A 14 -10.692 -4.491 -3.393 1.00 0.00 C ATOM 201 O GLU A 14 -11.252 -5.392 -4.019 1.00 0.00 O ATOM 202 CB GLU A 14 -12.704 -3.337 -2.459 1.00 0.00 C ATOM 203 CG GLU A 14 -13.694 -4.197 -3.227 1.00 0.00 C ATOM 204 CD GLU A 14 -15.086 -4.160 -2.626 1.00 0.00 C ATOM 205 OE1 GLU A 14 -15.360 -4.966 -1.712 1.00 0.00 O ATOM 206 OE2 GLU A 14 -15.903 -3.326 -3.070 1.00 0.00 O ATOM 0 H GLU A 14 -12.321 -2.837 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.712 -2.523 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.515 -3.795 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.153 -2.362 -2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.740 -3.857 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.337 -5.227 -3.246 1.00 0.00 H new ATOM 213 N VAL A 15 -9.489 -4.629 -2.841 1.00 0.00 N ATOM 214 CA VAL A 15 -8.732 -5.873 -2.939 1.00 0.00 C ATOM 215 C VAL A 15 -8.700 -6.558 -1.577 1.00 0.00 C ATOM 216 O VAL A 15 -8.198 -5.994 -0.605 1.00 0.00 O ATOM 217 CB VAL A 15 -7.282 -5.630 -3.420 1.00 0.00 C ATOM 218 CG1 VAL A 15 -6.783 -6.810 -4.240 1.00 0.00 C ATOM 219 CG2 VAL A 15 -7.184 -4.340 -4.226 1.00 0.00 C ATOM 0 H VAL A 15 -9.016 -3.891 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.229 -6.507 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.648 -5.529 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.761 -6.619 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.805 -7.713 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.425 -6.945 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.155 -4.192 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.835 -4.405 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.492 -3.499 -3.605 1.00 0.00 H new ATOM 229 N SER A 16 -9.254 -7.763 -1.496 1.00 0.00 N ATOM 230 CA SER A 16 -9.291 -8.487 -0.229 1.00 0.00 C ATOM 231 C SER A 16 -9.038 -9.976 -0.417 1.00 0.00 C ATOM 232 O SER A 16 -9.420 -10.562 -1.428 1.00 0.00 O ATOM 233 CB SER A 16 -10.642 -8.276 0.455 1.00 0.00 C ATOM 234 OG SER A 16 -11.701 -8.786 -0.336 1.00 0.00 O ATOM 0 H SER A 16 -9.679 -8.255 -2.282 1.00 0.00 H new ATOM 0 HA SER A 16 -8.493 -8.090 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.641 -8.768 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.799 -7.213 0.636 1.00 0.00 H new ATOM 0 HG SER A 16 -12.553 -8.640 0.125 1.00 0.00 H new ATOM 240 N TYR A 17 -8.408 -10.584 0.580 1.00 0.00 N ATOM 241 CA TYR A 17 -8.117 -12.008 0.548 1.00 0.00 C ATOM 242 C TYR A 17 -8.246 -12.607 1.949 1.00 0.00 C ATOM 243 O TYR A 17 -7.638 -12.117 2.900 1.00 0.00 O ATOM 244 CB TYR A 17 -6.717 -12.254 -0.039 1.00 0.00 C ATOM 245 CG TYR A 17 -5.661 -12.625 0.981 1.00 0.00 C ATOM 246 CD1 TYR A 17 -5.146 -11.677 1.852 1.00 0.00 C ATOM 247 CD2 TYR A 17 -5.181 -13.925 1.069 1.00 0.00 C ATOM 248 CE1 TYR A 17 -4.184 -12.012 2.781 1.00 0.00 C ATOM 249 CE2 TYR A 17 -4.217 -14.269 1.996 1.00 0.00 C ATOM 250 CZ TYR A 17 -3.722 -13.309 2.851 1.00 0.00 C ATOM 251 OH TYR A 17 -2.762 -13.646 3.777 1.00 0.00 O ATOM 0 H TYR A 17 -8.088 -10.109 1.424 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.842 -12.504 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.783 -13.051 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.395 -11.355 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.504 -10.659 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.568 -14.680 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.794 -11.261 3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.853 -15.284 2.050 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.051 -12.971 3.772 1.00 0.00 H new ATOM 261 N LYS A 18 -9.052 -13.660 2.064 1.00 0.00 N ATOM 262 CA LYS A 18 -9.283 -14.336 3.342 1.00 0.00 C ATOM 263 C LYS A 18 -10.262 -13.549 4.218 1.00 0.00 C ATOM 264 O LYS A 18 -11.467 -13.797 4.181 1.00 0.00 O ATOM 265 CB LYS A 18 -7.965 -14.576 4.091 1.00 0.00 C ATOM 266 CG LYS A 18 -6.952 -15.379 3.294 1.00 0.00 C ATOM 267 CD LYS A 18 -7.296 -16.859 3.284 1.00 0.00 C ATOM 268 CE LYS A 18 -6.619 -17.581 2.131 1.00 0.00 C ATOM 269 NZ LYS A 18 -7.311 -18.854 1.788 1.00 0.00 N ATOM 0 H LYS A 18 -9.561 -14.068 1.280 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.729 -15.305 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.527 -13.614 4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.177 -15.098 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.915 -15.006 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.959 -15.238 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.990 -17.311 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.376 -16.982 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.601 -16.931 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.582 -17.791 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.818 -19.315 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.306 -19.485 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.293 -18.652 1.513 1.00 0.00 H new ATOM 283 N HIS A 19 -9.747 -12.610 5.013 1.00 0.00 N ATOM 284 CA HIS A 19 -10.596 -11.814 5.895 1.00 0.00 C ATOM 285 C HIS A 19 -10.330 -10.317 5.740 1.00 0.00 C ATOM 286 O HIS A 19 -11.259 -9.511 5.750 1.00 0.00 O ATOM 287 CB HIS A 19 -10.381 -12.231 7.351 1.00 0.00 C ATOM 288 CG HIS A 19 -10.909 -13.595 7.666 1.00 0.00 C ATOM 289 ND1 HIS A 19 -10.225 -14.755 7.368 1.00 0.00 N ATOM 290 CD2 HIS A 19 -12.064 -13.985 8.256 1.00 0.00 C ATOM 291 CE1 HIS A 19 -10.934 -15.798 7.759 1.00 0.00 C ATOM 292 NE2 HIS A 19 -12.055 -15.359 8.302 1.00 0.00 N ATOM 0 H HIS A 19 -8.754 -12.384 5.063 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.631 -12.001 5.610 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.315 -12.202 7.575 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.864 -11.504 8.004 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.847 -13.337 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.646 -16.834 7.653 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -12.794 -15.944 8.692 1.00 0.00 H new ATOM 300 N MET A 20 -9.058 -9.951 5.610 1.00 0.00 N ATOM 301 CA MET A 20 -8.681 -8.547 5.470 1.00 0.00 C ATOM 302 C MET A 20 -9.029 -8.016 4.084 1.00 0.00 C ATOM 303 O MET A 20 -9.114 -8.776 3.119 1.00 0.00 O ATOM 304 CB MET A 20 -7.184 -8.374 5.734 1.00 0.00 C ATOM 305 CG MET A 20 -6.845 -7.103 6.497 1.00 0.00 C ATOM 306 SD MET A 20 -6.581 -5.690 5.408 1.00 0.00 S ATOM 307 CE MET A 20 -5.283 -6.320 4.349 1.00 0.00 C ATOM 0 H MET A 20 -8.274 -10.603 5.599 1.00 0.00 H new ATOM 0 HA MET A 20 -9.246 -7.973 6.205 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.821 -9.234 6.297 1.00 0.00 H new ATOM 0 HB3 MET A 20 -6.653 -8.369 4.782 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.653 -6.875 7.193 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.948 -7.270 7.093 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.529 -5.547 4.199 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.823 -7.191 4.816 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.706 -6.606 3.386 1.00 0.00 H new ATOM 317 N ARG A 21 -9.234 -6.704 3.993 1.00 0.00 N ATOM 318 CA ARG A 21 -9.578 -6.070 2.725 1.00 0.00 C ATOM 319 C ARG A 21 -8.804 -4.768 2.532 1.00 0.00 C ATOM 320 O ARG A 21 -8.279 -4.196 3.489 1.00 0.00 O ATOM 321 CB ARG A 21 -11.084 -5.792 2.663 1.00 0.00 C ATOM 322 CG ARG A 21 -11.941 -6.940 3.175 1.00 0.00 C ATOM 323 CD ARG A 21 -13.310 -6.457 3.627 1.00 0.00 C ATOM 324 NE ARG A 21 -14.376 -6.929 2.746 1.00 0.00 N ATOM 325 CZ ARG A 21 -14.894 -8.154 2.798 1.00 0.00 C ATOM 326 NH1 ARG A 21 -14.446 -9.035 3.686 1.00 0.00 N ATOM 327 NH2 ARG A 21 -15.861 -8.501 1.961 1.00 0.00 N ATOM 0 H ARG A 21 -9.168 -6.061 4.782 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.304 -6.755 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.304 -4.898 3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.362 -5.575 1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.059 -7.686 2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.435 -7.430 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.499 -6.804 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.319 -5.367 3.655 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.745 -6.281 2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.701 -8.774 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.847 -9.972 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.209 -7.829 1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.258 -9.440 2.001 1.00 0.00 H new ATOM 341 N PHE A 22 -8.741 -4.306 1.287 1.00 0.00 N ATOM 342 CA PHE A 22 -8.038 -3.071 0.954 1.00 0.00 C ATOM 343 C PHE A 22 -8.908 -2.185 0.071 1.00 0.00 C ATOM 344 O PHE A 22 -9.662 -2.684 -0.762 1.00 0.00 O ATOM 345 CB PHE A 22 -6.730 -3.383 0.221 1.00 0.00 C ATOM 346 CG PHE A 22 -5.541 -3.536 1.124 1.00 0.00 C ATOM 347 CD1 PHE A 22 -5.023 -2.445 1.803 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.934 -4.771 1.285 1.00 0.00 C ATOM 349 CE1 PHE A 22 -3.923 -2.584 2.627 1.00 0.00 C ATOM 350 CE2 PHE A 22 -3.835 -4.915 2.108 1.00 0.00 C ATOM 351 CZ PHE A 22 -3.328 -3.821 2.780 1.00 0.00 C ATOM 0 H PHE A 22 -9.171 -4.771 0.488 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.816 -2.547 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.858 -4.301 -0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.529 -2.586 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.484 -1.475 1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.325 -5.631 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.529 -1.726 3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.372 -5.884 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.468 -3.932 3.424 1.00 0.00 H new ATOM 361 N LEU A 23 -8.792 -0.872 0.241 1.00 0.00 N ATOM 362 CA LEU A 23 -9.565 0.066 -0.565 1.00 0.00 C ATOM 363 C LEU A 23 -8.648 0.948 -1.393 1.00 0.00 C ATOM 364 O LEU A 23 -7.718 1.560 -0.871 1.00 0.00 O ATOM 365 CB LEU A 23 -10.459 0.952 0.308 1.00 0.00 C ATOM 366 CG LEU A 23 -11.785 0.328 0.731 1.00 0.00 C ATOM 367 CD1 LEU A 23 -12.520 -0.254 -0.471 1.00 0.00 C ATOM 368 CD2 LEU A 23 -11.546 -0.735 1.790 1.00 0.00 C ATOM 0 H LEU A 23 -8.174 -0.435 0.925 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.197 -0.526 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.904 1.227 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.667 1.875 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.416 1.107 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.462 -0.693 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.720 0.537 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.904 -1.023 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.499 -1.175 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.898 -1.512 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.070 -0.282 2.660 1.00 0.00 H new ATOM 380 N ILE A 24 -8.926 1.022 -2.684 1.00 0.00 N ATOM 381 CA ILE A 24 -8.143 1.848 -3.583 1.00 0.00 C ATOM 382 C ILE A 24 -9.007 3.004 -4.083 1.00 0.00 C ATOM 383 O ILE A 24 -9.913 2.804 -4.892 1.00 0.00 O ATOM 384 CB ILE A 24 -7.606 1.017 -4.777 1.00 0.00 C ATOM 385 CG1 ILE A 24 -6.263 0.377 -4.412 1.00 0.00 C ATOM 386 CG2 ILE A 24 -7.465 1.871 -6.031 1.00 0.00 C ATOM 387 CD1 ILE A 24 -5.121 1.370 -4.334 1.00 0.00 C ATOM 0 H ILE A 24 -9.691 0.518 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.283 2.243 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.329 0.230 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.360 -0.129 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.020 -0.386 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.086 1.257 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.438 2.279 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.770 2.688 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.201 0.847 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.997 1.859 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.342 2.120 -3.574 1.00 0.00 H new ATOM 399 N THR A 25 -8.741 4.205 -3.581 1.00 0.00 N ATOM 400 CA THR A 25 -9.521 5.374 -3.968 1.00 0.00 C ATOM 401 C THR A 25 -8.632 6.547 -4.367 1.00 0.00 C ATOM 402 O THR A 25 -7.439 6.571 -4.074 1.00 0.00 O ATOM 403 CB THR A 25 -10.445 5.792 -2.821 1.00 0.00 C ATOM 404 OG1 THR A 25 -9.962 5.301 -1.583 1.00 0.00 O ATOM 405 CG2 THR A 25 -11.865 5.298 -2.988 1.00 0.00 C ATOM 0 H THR A 25 -7.996 4.394 -2.910 1.00 0.00 H new ATOM 0 HA THR A 25 -10.116 5.096 -4.838 1.00 0.00 H new ATOM 0 HB THR A 25 -10.452 6.882 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.715 4.992 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.467 5.629 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 25 -12.284 5.700 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.869 4.209 -3.032 1.00 0.00 H new ATOM 413 N HIS A 26 -9.244 7.521 -5.027 1.00 0.00 N ATOM 414 CA HIS A 26 -8.552 8.721 -5.482 1.00 0.00 C ATOM 415 C HIS A 26 -8.412 9.728 -4.347 1.00 0.00 C ATOM 416 O HIS A 26 -9.217 9.744 -3.417 1.00 0.00 O ATOM 417 CB HIS A 26 -9.288 9.353 -6.666 1.00 0.00 C ATOM 418 CG HIS A 26 -10.701 9.748 -6.362 1.00 0.00 C ATOM 419 ND1 HIS A 26 -11.825 9.002 -6.244 1.00 0.00 N flip ATOM 420 CD2 HIS A 26 -11.088 11.054 -6.153 1.00 0.00 C flip ATOM 421 CE1 HIS A 26 -12.858 9.866 -5.969 1.00 0.00 C flip ATOM 422 NE2 HIS A 26 -12.387 11.097 -5.919 1.00 0.00 N flip ATOM 0 H HIS A 26 -10.236 7.502 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.554 8.431 -5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.737 10.234 -6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.289 8.649 -7.498 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.892 7.989 -6.341 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -10.430 11.910 -6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.889 9.583 -5.818 1.00 0.00 H new ATOM 430 N ASN A 27 -7.376 10.556 -4.415 1.00 0.00 N ATOM 431 CA ASN A 27 -7.133 11.549 -3.376 1.00 0.00 C ATOM 432 C ASN A 27 -8.301 12.532 -3.324 1.00 0.00 C ATOM 433 O ASN A 27 -9.015 12.710 -4.312 1.00 0.00 O ATOM 434 CB ASN A 27 -5.808 12.279 -3.657 1.00 0.00 C ATOM 435 CG ASN A 27 -5.778 13.705 -3.132 1.00 0.00 C ATOM 436 OD1 ASN A 27 -6.502 14.573 -3.618 1.00 0.00 O ATOM 437 ND2 ASN A 27 -4.935 13.950 -2.136 1.00 0.00 N ATOM 0 H ASN A 27 -6.695 10.560 -5.174 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.054 11.057 -2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.990 11.717 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.631 12.292 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.869 14.889 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.353 13.199 -1.764 1.00 0.00 H new ATOM 444 N PRO A 28 -8.543 13.147 -2.154 1.00 0.00 N ATOM 445 CA PRO A 28 -9.665 14.066 -1.965 1.00 0.00 C ATOM 446 C PRO A 28 -9.697 15.199 -2.978 1.00 0.00 C ATOM 447 O PRO A 28 -8.666 15.771 -3.332 1.00 0.00 O ATOM 448 CB PRO A 28 -9.459 14.626 -0.549 1.00 0.00 C ATOM 449 CG PRO A 28 -8.081 14.218 -0.151 1.00 0.00 C ATOM 450 CD PRO A 28 -7.788 12.957 -0.908 1.00 0.00 C ATOM 0 HA PRO A 28 -10.614 13.547 -2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.565 15.711 -0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.201 14.226 0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.358 14.996 -0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.019 14.051 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.721 12.836 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.119 12.072 -0.365 1.00 0.00 H new ATOM 458 N THR A 29 -10.906 15.511 -3.433 1.00 0.00 N ATOM 459 CA THR A 29 -11.119 16.573 -4.400 1.00 0.00 C ATOM 460 C THR A 29 -11.569 17.842 -3.692 1.00 0.00 C ATOM 461 O THR A 29 -11.787 17.837 -2.483 1.00 0.00 O ATOM 462 CB THR A 29 -12.160 16.152 -5.439 1.00 0.00 C ATOM 463 OG1 THR A 29 -13.185 15.381 -4.837 1.00 0.00 O ATOM 464 CG2 THR A 29 -11.578 15.337 -6.573 1.00 0.00 C ATOM 0 H THR A 29 -11.760 15.035 -3.141 1.00 0.00 H new ATOM 0 HA THR A 29 -10.178 16.769 -4.913 1.00 0.00 H new ATOM 0 HB THR A 29 -12.554 17.083 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.047 15.830 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.369 15.071 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.818 15.923 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.127 14.428 -6.174 1.00 0.00 H new ATOM 472 N ASN A 30 -11.691 18.929 -4.439 1.00 0.00 N ATOM 473 CA ASN A 30 -12.100 20.200 -3.856 1.00 0.00 C ATOM 474 C ASN A 30 -13.591 20.470 -4.054 1.00 0.00 C ATOM 475 O ASN A 30 -14.121 21.437 -3.506 1.00 0.00 O ATOM 476 CB ASN A 30 -11.284 21.342 -4.462 1.00 0.00 C ATOM 477 CG ASN A 30 -11.368 21.376 -5.975 1.00 0.00 C ATOM 478 OD1 ASN A 30 -11.386 20.333 -6.630 1.00 0.00 O ATOM 479 ND2 ASN A 30 -11.420 22.577 -6.539 1.00 0.00 N ATOM 0 H ASN A 30 -11.514 18.958 -5.443 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.913 20.141 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.639 22.291 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.241 21.239 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.477 22.662 -7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.403 23.415 -5.957 1.00 0.00 H new ATOM 486 N ALA A 31 -14.270 19.639 -4.844 1.00 0.00 N ATOM 487 CA ALA A 31 -15.693 19.849 -5.089 1.00 0.00 C ATOM 488 C ALA A 31 -16.583 19.060 -4.128 1.00 0.00 C ATOM 489 O ALA A 31 -17.680 19.507 -3.794 1.00 0.00 O ATOM 490 CB ALA A 31 -16.032 19.488 -6.528 1.00 0.00 C ATOM 0 H ALA A 31 -13.866 18.830 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.894 20.906 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -17.096 19.648 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -15.455 20.116 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.788 18.441 -6.708 1.00 0.00 H new ATOM 496 N THR A 32 -16.119 17.898 -3.668 1.00 0.00 N ATOM 497 CA THR A 32 -16.913 17.099 -2.734 1.00 0.00 C ATOM 498 C THR A 32 -16.055 16.482 -1.632 1.00 0.00 C ATOM 499 O THR A 32 -15.572 15.359 -1.771 1.00 0.00 O ATOM 500 CB THR A 32 -17.656 15.995 -3.488 1.00 0.00 C ATOM 501 OG1 THR A 32 -16.751 15.012 -3.956 1.00 0.00 O ATOM 502 CG2 THR A 32 -18.437 16.506 -4.679 1.00 0.00 C ATOM 0 H THR A 32 -15.217 17.495 -3.920 1.00 0.00 H new ATOM 0 HA THR A 32 -17.629 17.770 -2.260 1.00 0.00 H new ATOM 0 HB THR A 32 -18.358 15.574 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.320 14.574 -3.193 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.940 15.672 -5.169 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.179 17.231 -4.344 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.756 16.983 -5.383 1.00 0.00 H new ATOM 510 N LEU A 33 -15.888 17.202 -0.529 1.00 0.00 N ATOM 511 CA LEU A 33 -15.114 16.693 0.598 1.00 0.00 C ATOM 512 C LEU A 33 -15.937 15.725 1.449 1.00 0.00 C ATOM 513 O LEU A 33 -15.504 14.611 1.744 1.00 0.00 O ATOM 514 CB LEU A 33 -14.587 17.844 1.457 1.00 0.00 C ATOM 515 CG LEU A 33 -13.064 17.987 1.460 1.00 0.00 C ATOM 516 CD1 LEU A 33 -12.413 16.772 2.102 1.00 0.00 C ATOM 517 CD2 LEU A 33 -12.548 18.171 0.043 1.00 0.00 C ATOM 0 H LEU A 33 -16.276 18.135 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.264 16.144 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.026 18.776 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.928 17.701 2.482 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.804 18.869 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.330 16.893 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.760 16.674 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.682 15.877 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.463 18.271 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.822 17.305 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.988 19.069 -0.391 1.00 0.00 H new ATOM 529 N SER A 34 -17.121 16.179 1.854 1.00 0.00 N ATOM 530 CA SER A 34 -18.018 15.386 2.693 1.00 0.00 C ATOM 531 C SER A 34 -18.377 14.051 2.047 1.00 0.00 C ATOM 532 O SER A 34 -18.369 13.011 2.704 1.00 0.00 O ATOM 533 CB SER A 34 -19.294 16.175 2.988 1.00 0.00 C ATOM 534 OG SER A 34 -19.017 17.557 3.135 1.00 0.00 O ATOM 0 H SER A 34 -17.484 17.101 1.612 1.00 0.00 H new ATOM 0 HA SER A 34 -17.490 15.174 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 34 -20.011 16.029 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.758 15.795 3.898 1.00 0.00 H new ATOM 0 HG SER A 34 -19.849 18.039 3.321 1.00 0.00 H new ATOM 540 N THR A 35 -18.711 14.082 0.765 1.00 0.00 N ATOM 541 CA THR A 35 -19.087 12.868 0.051 1.00 0.00 C ATOM 542 C THR A 35 -17.977 11.821 0.106 1.00 0.00 C ATOM 543 O THR A 35 -18.244 10.617 0.104 1.00 0.00 O ATOM 544 CB THR A 35 -19.421 13.194 -1.406 1.00 0.00 C ATOM 545 OG1 THR A 35 -19.984 14.489 -1.514 1.00 0.00 O ATOM 546 CG2 THR A 35 -20.394 12.217 -2.030 1.00 0.00 C ATOM 0 H THR A 35 -18.730 14.930 0.199 1.00 0.00 H new ATOM 0 HA THR A 35 -19.968 12.454 0.541 1.00 0.00 H new ATOM 0 HB THR A 35 -18.473 13.130 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.334 14.619 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.588 12.506 -3.063 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.967 11.214 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.329 12.226 -1.469 1.00 0.00 H new ATOM 554 N PHE A 36 -16.730 12.282 0.142 1.00 0.00 N ATOM 555 CA PHE A 36 -15.591 11.374 0.176 1.00 0.00 C ATOM 556 C PHE A 36 -15.402 10.742 1.552 1.00 0.00 C ATOM 557 O PHE A 36 -15.231 9.530 1.663 1.00 0.00 O ATOM 558 CB PHE A 36 -14.315 12.114 -0.228 1.00 0.00 C ATOM 559 CG PHE A 36 -13.476 11.397 -1.254 1.00 0.00 C ATOM 560 CD1 PHE A 36 -13.676 10.051 -1.538 1.00 0.00 C ATOM 561 CD2 PHE A 36 -12.484 12.078 -1.934 1.00 0.00 C ATOM 562 CE1 PHE A 36 -12.902 9.406 -2.481 1.00 0.00 C ATOM 563 CE2 PHE A 36 -11.707 11.437 -2.878 1.00 0.00 C ATOM 564 CZ PHE A 36 -11.916 10.100 -3.153 1.00 0.00 C ATOM 0 H PHE A 36 -16.485 13.272 0.148 1.00 0.00 H new ATOM 0 HA PHE A 36 -15.795 10.573 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -14.587 13.094 -0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.711 12.284 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -14.446 9.504 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -12.315 13.124 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -13.067 8.360 -2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.935 11.981 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.309 9.598 -3.892 1.00 0.00 H new ATOM 574 N ILE A 37 -15.431 11.557 2.600 1.00 0.00 N ATOM 575 CA ILE A 37 -15.258 11.044 3.951 1.00 0.00 C ATOM 576 C ILE A 37 -16.280 9.959 4.250 1.00 0.00 C ATOM 577 O ILE A 37 -15.975 8.957 4.897 1.00 0.00 O ATOM 578 CB ILE A 37 -15.384 12.155 5.010 1.00 0.00 C ATOM 579 CG1 ILE A 37 -16.597 13.045 4.735 1.00 0.00 C ATOM 580 CG2 ILE A 37 -14.110 12.986 5.069 1.00 0.00 C ATOM 581 CD1 ILE A 37 -16.909 14.003 5.863 1.00 0.00 C ATOM 0 H ILE A 37 -15.571 12.566 2.541 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.251 10.629 4.002 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.531 11.679 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -16.420 13.615 3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -17.467 12.414 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.219 13.766 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.269 12.344 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -13.929 13.444 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -17.780 14.603 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -17.117 13.439 6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.054 14.659 6.030 1.00 0.00 H new ATOM 593 N GLU A 38 -17.495 10.174 3.772 1.00 0.00 N ATOM 594 CA GLU A 38 -18.582 9.227 3.975 1.00 0.00 C ATOM 595 C GLU A 38 -18.322 7.909 3.248 1.00 0.00 C ATOM 596 O GLU A 38 -18.414 6.840 3.849 1.00 0.00 O ATOM 597 CB GLU A 38 -19.904 9.831 3.498 1.00 0.00 C ATOM 598 CG GLU A 38 -20.551 10.758 4.515 1.00 0.00 C ATOM 599 CD GLU A 38 -21.713 10.108 5.241 1.00 0.00 C ATOM 600 OE1 GLU A 38 -21.482 9.109 5.955 1.00 0.00 O ATOM 601 OE2 GLU A 38 -22.852 10.597 5.097 1.00 0.00 O ATOM 0 H GLU A 38 -17.755 11.002 3.237 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.643 9.017 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -19.729 10.383 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -20.598 9.025 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.803 11.072 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -20.901 11.658 4.010 1.00 0.00 H new ATOM 608 N ASP A 39 -18.017 7.984 1.952 1.00 0.00 N ATOM 609 CA ASP A 39 -17.768 6.778 1.159 1.00 0.00 C ATOM 610 C ASP A 39 -16.484 6.066 1.589 1.00 0.00 C ATOM 611 O ASP A 39 -16.482 4.853 1.837 1.00 0.00 O ATOM 612 CB ASP A 39 -17.685 7.136 -0.327 1.00 0.00 C ATOM 613 CG ASP A 39 -19.033 7.060 -1.016 1.00 0.00 C ATOM 614 OD1 ASP A 39 -19.774 6.085 -0.765 1.00 0.00 O ATOM 615 OD2 ASP A 39 -19.348 7.973 -1.806 1.00 0.00 O ATOM 0 H ASP A 39 -17.937 8.858 1.432 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.601 6.096 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.282 8.143 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.988 6.460 -0.822 1.00 0.00 H new ATOM 620 N LEU A 40 -15.392 6.822 1.684 1.00 0.00 N ATOM 621 CA LEU A 40 -14.106 6.258 2.086 1.00 0.00 C ATOM 622 C LEU A 40 -14.233 5.555 3.430 1.00 0.00 C ATOM 623 O LEU A 40 -13.767 4.427 3.600 1.00 0.00 O ATOM 624 CB LEU A 40 -13.036 7.352 2.157 1.00 0.00 C ATOM 625 CG LEU A 40 -12.795 8.116 0.851 1.00 0.00 C ATOM 626 CD1 LEU A 40 -11.826 9.267 1.075 1.00 0.00 C ATOM 627 CD2 LEU A 40 -12.267 7.184 -0.228 1.00 0.00 C ATOM 0 H LEU A 40 -15.372 7.823 1.489 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.802 5.527 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.321 8.066 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.096 6.899 2.472 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.748 8.525 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.668 9.797 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.240 9.953 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.875 8.877 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.103 7.747 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.326 6.743 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.993 6.392 -0.412 1.00 0.00 H new ATOM 639 N LYS A 41 -14.883 6.220 4.376 1.00 0.00 N ATOM 640 CA LYS A 41 -15.093 5.653 5.699 1.00 0.00 C ATOM 641 C LYS A 41 -16.213 4.620 5.654 1.00 0.00 C ATOM 642 O LYS A 41 -16.255 3.695 6.466 1.00 0.00 O ATOM 643 CB LYS A 41 -15.433 6.754 6.705 1.00 0.00 C ATOM 644 CG LYS A 41 -15.154 6.366 8.148 1.00 0.00 C ATOM 645 CD LYS A 41 -16.158 6.998 9.099 1.00 0.00 C ATOM 646 CE LYS A 41 -16.571 6.031 10.197 1.00 0.00 C ATOM 647 NZ LYS A 41 -17.463 4.956 9.686 1.00 0.00 N ATOM 0 H LYS A 41 -15.274 7.154 4.250 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.173 5.164 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.859 7.648 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.487 7.014 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.190 5.281 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.146 6.678 8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.724 7.893 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.039 7.315 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.681 5.584 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.081 6.579 10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.870 4.432 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.229 5.379 9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.915 4.305 9.089 1.00 0.00 H new ATOM 661 N LYS A 42 -17.124 4.790 4.697 1.00 0.00 N ATOM 662 CA LYS A 42 -18.253 3.882 4.536 1.00 0.00 C ATOM 663 C LYS A 42 -17.793 2.433 4.440 1.00 0.00 C ATOM 664 O LYS A 42 -18.382 1.551 5.065 1.00 0.00 O ATOM 665 CB LYS A 42 -19.063 4.251 3.291 1.00 0.00 C ATOM 666 CG LYS A 42 -20.431 4.835 3.608 1.00 0.00 C ATOM 667 CD LYS A 42 -21.181 5.216 2.342 1.00 0.00 C ATOM 668 CE LYS A 42 -22.109 6.397 2.577 1.00 0.00 C ATOM 669 NZ LYS A 42 -22.102 7.346 1.430 1.00 0.00 N ATOM 0 H LYS A 42 -17.100 5.552 4.020 1.00 0.00 H new ATOM 0 HA LYS A 42 -18.884 3.983 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.498 4.971 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -19.191 3.362 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -21.015 4.109 4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.315 5.714 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.468 5.464 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -21.760 4.362 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -23.124 6.034 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -21.807 6.921 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -22.747 8.137 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.139 7.712 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -22.415 6.853 0.569 1.00 0.00 H new ATOM 683 N TYR A 43 -16.745 2.178 3.655 1.00 0.00 N ATOM 684 CA TYR A 43 -16.254 0.813 3.509 1.00 0.00 C ATOM 685 C TYR A 43 -15.740 0.279 4.841 1.00 0.00 C ATOM 686 O TYR A 43 -15.945 -0.891 5.168 1.00 0.00 O ATOM 687 CB TYR A 43 -15.148 0.736 2.464 1.00 0.00 C ATOM 688 CG TYR A 43 -14.818 -0.683 2.060 1.00 0.00 C ATOM 689 CD1 TYR A 43 -14.113 -1.513 2.916 1.00 0.00 C ATOM 690 CD2 TYR A 43 -15.213 -1.191 0.830 1.00 0.00 C ATOM 691 CE1 TYR A 43 -13.805 -2.811 2.562 1.00 0.00 C ATOM 692 CE2 TYR A 43 -14.910 -2.489 0.465 1.00 0.00 C ATOM 693 CZ TYR A 43 -14.207 -3.295 1.335 1.00 0.00 C ATOM 694 OH TYR A 43 -13.902 -4.588 0.976 1.00 0.00 O ATOM 0 H TYR A 43 -16.232 2.882 3.124 1.00 0.00 H new ATOM 0 HA TYR A 43 -17.090 0.197 3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.450 1.299 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -14.251 1.215 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.798 -1.137 3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -15.766 -0.562 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.253 -3.443 3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -15.222 -2.870 -0.496 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.317 -4.794 0.113 1.00 0.00 H new ATOM 704 N GLY A 44 -15.079 1.137 5.610 1.00 0.00 N ATOM 705 CA GLY A 44 -14.562 0.718 6.898 1.00 0.00 C ATOM 706 C GLY A 44 -13.540 1.678 7.465 1.00 0.00 C ATOM 707 O GLY A 44 -13.263 2.720 6.871 1.00 0.00 O ATOM 0 H GLY A 44 -14.893 2.110 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.389 0.620 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.110 -0.269 6.798 1.00 0.00 H new ATOM 711 N ALA A 45 -13.001 1.347 8.637 1.00 0.00 N ATOM 712 CA ALA A 45 -12.034 2.221 9.287 1.00 0.00 C ATOM 713 C ALA A 45 -10.756 1.517 9.753 1.00 0.00 C ATOM 714 O ALA A 45 -10.784 0.659 10.634 1.00 0.00 O ATOM 715 CB ALA A 45 -12.702 2.895 10.459 1.00 0.00 C ATOM 0 H ALA A 45 -13.215 0.491 9.148 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.712 2.944 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.989 3.553 10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.551 3.480 10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.050 2.139 11.164 1.00 0.00 H new ATOM 721 N THR A 46 -9.639 1.938 9.174 1.00 0.00 N ATOM 722 CA THR A 46 -8.313 1.428 9.520 1.00 0.00 C ATOM 723 C THR A 46 -7.259 2.366 8.949 1.00 0.00 C ATOM 724 O THR A 46 -7.591 3.458 8.490 1.00 0.00 O ATOM 725 CB THR A 46 -8.097 -0.017 9.071 1.00 0.00 C ATOM 726 OG1 THR A 46 -9.315 -0.731 9.116 1.00 0.00 O ATOM 727 CG2 THR A 46 -7.107 -0.768 9.939 1.00 0.00 C ATOM 0 H THR A 46 -9.625 2.650 8.444 1.00 0.00 H new ATOM 0 HA THR A 46 -8.225 1.404 10.606 1.00 0.00 H new ATOM 0 HB THR A 46 -7.701 0.046 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.796 -0.506 9.940 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.998 -1.787 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.141 -0.265 9.907 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.470 -0.793 10.967 1.00 0.00 H new ATOM 735 N THR A 47 -5.996 1.968 8.981 1.00 0.00 N ATOM 736 CA THR A 47 -4.942 2.825 8.467 1.00 0.00 C ATOM 737 C THR A 47 -5.111 3.035 6.963 1.00 0.00 C ATOM 738 O THR A 47 -5.698 2.209 6.253 1.00 0.00 O ATOM 739 CB THR A 47 -3.570 2.216 8.759 1.00 0.00 C ATOM 740 OG1 THR A 47 -2.546 2.949 8.109 1.00 0.00 O ATOM 741 CG2 THR A 47 -3.451 0.772 8.321 1.00 0.00 C ATOM 0 H THR A 47 -5.681 1.072 9.351 1.00 0.00 H new ATOM 0 HA THR A 47 -5.011 3.791 8.966 1.00 0.00 H new ATOM 0 HB THR A 47 -3.459 2.260 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.877 2.329 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.454 0.401 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.195 0.171 8.844 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.619 0.703 7.246 1.00 0.00 H new ATOM 749 N VAL A 48 -4.621 4.172 6.490 1.00 0.00 N ATOM 750 CA VAL A 48 -4.735 4.530 5.086 1.00 0.00 C ATOM 751 C VAL A 48 -3.399 5.005 4.534 1.00 0.00 C ATOM 752 O VAL A 48 -2.698 5.782 5.176 1.00 0.00 O ATOM 753 CB VAL A 48 -5.786 5.645 4.896 1.00 0.00 C ATOM 754 CG1 VAL A 48 -5.833 6.127 3.451 1.00 0.00 C ATOM 755 CG2 VAL A 48 -7.154 5.168 5.355 1.00 0.00 C ATOM 0 H VAL A 48 -4.138 4.865 7.062 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.047 3.638 4.543 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.491 6.494 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.583 6.912 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.857 6.521 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.092 5.294 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.883 5.966 5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.451 4.297 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.110 4.898 6.410 1.00 0.00 H new ATOM 765 N VAL A 49 -3.055 4.547 3.337 1.00 0.00 N ATOM 766 CA VAL A 49 -1.809 4.956 2.712 1.00 0.00 C ATOM 767 C VAL A 49 -2.068 5.748 1.436 1.00 0.00 C ATOM 768 O VAL A 49 -2.426 5.188 0.396 1.00 0.00 O ATOM 769 CB VAL A 49 -0.899 3.754 2.396 1.00 0.00 C ATOM 770 CG1 VAL A 49 -1.542 2.828 1.377 1.00 0.00 C ATOM 771 CG2 VAL A 49 0.460 4.228 1.911 1.00 0.00 C ATOM 0 H VAL A 49 -3.617 3.898 2.786 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.295 5.593 3.432 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.759 3.187 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.875 1.990 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.487 2.453 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.726 3.376 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.090 3.365 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.336 4.825 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.931 4.834 2.685 1.00 0.00 H new ATOM 781 N ARG A 50 -1.872 7.055 1.514 1.00 0.00 N ATOM 782 CA ARG A 50 -2.066 7.911 0.359 1.00 0.00 C ATOM 783 C ARG A 50 -0.736 8.501 -0.071 1.00 0.00 C ATOM 784 O ARG A 50 -0.165 9.338 0.628 1.00 0.00 O ATOM 785 CB ARG A 50 -3.060 9.030 0.676 1.00 0.00 C ATOM 786 CG ARG A 50 -2.777 9.741 1.988 1.00 0.00 C ATOM 787 CD ARG A 50 -3.496 11.078 2.064 1.00 0.00 C ATOM 788 NE ARG A 50 -3.168 11.806 3.287 1.00 0.00 N ATOM 789 CZ ARG A 50 -3.884 12.824 3.758 1.00 0.00 C ATOM 790 NH1 ARG A 50 -4.966 13.240 3.111 1.00 0.00 N ATOM 791 NH2 ARG A 50 -3.517 13.429 4.880 1.00 0.00 N ATOM 0 H ARG A 50 -1.580 7.542 2.361 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.474 7.312 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.044 9.759 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.066 8.612 0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.091 9.110 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.704 9.898 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.228 11.684 1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.573 10.914 2.017 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.342 11.517 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.253 12.779 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.511 14.021 3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.686 13.114 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.065 14.209 5.242 1.00 0.00 H new ATOM 805 N VAL A 51 -0.241 8.072 -1.222 1.00 0.00 N ATOM 806 CA VAL A 51 1.022 8.583 -1.719 1.00 0.00 C ATOM 807 C VAL A 51 0.791 9.487 -2.911 1.00 0.00 C ATOM 808 O VAL A 51 0.758 9.044 -4.059 1.00 0.00 O ATOM 809 CB VAL A 51 1.973 7.445 -2.122 1.00 0.00 C ATOM 810 CG1 VAL A 51 3.322 8.007 -2.535 1.00 0.00 C ATOM 811 CG2 VAL A 51 2.123 6.436 -0.991 1.00 0.00 C ATOM 0 H VAL A 51 -0.690 7.380 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 51 1.485 9.150 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 51 1.544 6.922 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.985 7.190 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.192 8.679 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.758 8.556 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.801 5.640 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.527 6.934 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.149 6.010 -0.752 1.00 0.00 H new ATOM 821 N CYS A 52 0.650 10.764 -2.616 1.00 0.00 N ATOM 822 CA CYS A 52 0.438 11.774 -3.626 1.00 0.00 C ATOM 823 C CYS A 52 0.855 13.119 -3.074 1.00 0.00 C ATOM 824 O CYS A 52 1.120 13.249 -1.878 1.00 0.00 O ATOM 825 CB CYS A 52 -1.028 11.808 -4.061 1.00 0.00 C ATOM 826 SG CYS A 52 -2.205 11.783 -2.689 1.00 0.00 S ATOM 0 H CYS A 52 0.680 11.129 -1.664 1.00 0.00 H new ATOM 0 HA CYS A 52 1.040 11.536 -4.503 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.199 12.705 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.224 10.954 -4.709 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.969 10.736 -2.792 1.00 0.00 H new ATOM 832 N GLU A 53 0.898 14.123 -3.925 1.00 0.00 N ATOM 833 CA GLU A 53 1.266 15.448 -3.476 1.00 0.00 C ATOM 834 C GLU A 53 0.185 15.963 -2.531 1.00 0.00 C ATOM 835 O GLU A 53 -1.008 15.865 -2.822 1.00 0.00 O ATOM 836 CB GLU A 53 1.473 16.366 -4.678 1.00 0.00 C ATOM 837 CG GLU A 53 2.175 15.677 -5.851 1.00 0.00 C ATOM 838 CD GLU A 53 3.170 14.597 -5.424 1.00 0.00 C ATOM 839 OE1 GLU A 53 4.195 14.952 -4.805 1.00 0.00 O ATOM 840 OE2 GLU A 53 2.922 13.396 -5.707 1.00 0.00 O ATOM 0 H GLU A 53 0.685 14.048 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 53 2.209 15.422 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.505 16.740 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.060 17.231 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.423 15.229 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.699 16.429 -6.441 1.00 0.00 H new ATOM 847 N VAL A 54 0.609 16.453 -1.375 1.00 0.00 N ATOM 848 CA VAL A 54 -0.324 16.917 -0.349 1.00 0.00 C ATOM 849 C VAL A 54 -1.048 18.205 -0.727 1.00 0.00 C ATOM 850 O VAL A 54 -0.424 19.239 -0.959 1.00 0.00 O ATOM 851 CB VAL A 54 0.396 17.134 0.995 1.00 0.00 C ATOM 852 CG1 VAL A 54 -0.611 17.387 2.108 1.00 0.00 C ATOM 853 CG2 VAL A 54 1.284 15.943 1.329 1.00 0.00 C ATOM 0 H VAL A 54 1.593 16.541 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.070 16.127 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 54 1.031 18.015 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.083 17.538 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.196 18.276 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.276 16.528 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.783 16.117 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.674 15.042 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.032 15.816 0.546 1.00 0.00 H new ATOM 863 N THR A 55 -2.379 18.135 -0.742 1.00 0.00 N ATOM 864 CA THR A 55 -3.206 19.297 -1.041 1.00 0.00 C ATOM 865 C THR A 55 -4.134 19.601 0.136 1.00 0.00 C ATOM 866 O THR A 55 -4.228 20.742 0.589 1.00 0.00 O ATOM 867 CB THR A 55 -4.028 19.056 -2.308 1.00 0.00 C ATOM 868 OG1 THR A 55 -5.034 18.086 -2.077 1.00 0.00 O ATOM 869 CG2 THR A 55 -3.196 18.583 -3.480 1.00 0.00 C ATOM 0 H THR A 55 -2.905 17.283 -0.550 1.00 0.00 H new ATOM 0 HA THR A 55 -2.553 20.154 -1.207 1.00 0.00 H new ATOM 0 HB THR A 55 -4.463 20.024 -2.558 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.861 18.532 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.840 18.431 -4.346 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.441 19.333 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.706 17.644 -3.223 1.00 0.00 H new ATOM 877 N TYR A 56 -4.803 18.561 0.637 1.00 0.00 N ATOM 878 CA TYR A 56 -5.711 18.697 1.777 1.00 0.00 C ATOM 879 C TYR A 56 -5.414 17.633 2.831 1.00 0.00 C ATOM 880 O TYR A 56 -6.055 16.583 2.850 1.00 0.00 O ATOM 881 CB TYR A 56 -7.171 18.576 1.327 1.00 0.00 C ATOM 882 CG TYR A 56 -7.422 19.042 -0.089 1.00 0.00 C ATOM 883 CD1 TYR A 56 -7.113 20.338 -0.479 1.00 0.00 C ATOM 884 CD2 TYR A 56 -7.974 18.184 -1.035 1.00 0.00 C ATOM 885 CE1 TYR A 56 -7.345 20.769 -1.771 1.00 0.00 C ATOM 886 CE2 TYR A 56 -8.207 18.610 -2.330 1.00 0.00 C ATOM 887 CZ TYR A 56 -7.892 19.903 -2.692 1.00 0.00 C ATOM 888 OH TYR A 56 -8.124 20.328 -3.979 1.00 0.00 O ATOM 0 H TYR A 56 -4.732 17.612 0.270 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.554 19.684 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.482 17.535 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.798 19.155 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.684 21.021 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.224 17.172 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.099 21.781 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -8.634 17.933 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.512 19.595 -4.501 1.00 0.00 H new ATOM 898 N ASP A 57 -4.443 17.891 3.698 1.00 0.00 N ATOM 899 CA ASP A 57 -4.084 16.927 4.736 1.00 0.00 C ATOM 900 C ASP A 57 -5.052 16.957 5.923 1.00 0.00 C ATOM 901 O ASP A 57 -5.337 15.922 6.524 1.00 0.00 O ATOM 902 CB ASP A 57 -2.660 17.195 5.226 1.00 0.00 C ATOM 903 CG ASP A 57 -2.186 16.155 6.222 1.00 0.00 C ATOM 904 OD1 ASP A 57 -1.727 15.079 5.785 1.00 0.00 O ATOM 905 OD2 ASP A 57 -2.274 16.417 7.440 1.00 0.00 O ATOM 0 H ASP A 57 -3.893 18.750 3.706 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.146 15.935 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.982 17.212 4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.617 18.182 5.687 1.00 0.00 H new ATOM 910 N LYS A 58 -5.526 18.149 6.275 1.00 0.00 N ATOM 911 CA LYS A 58 -6.433 18.312 7.414 1.00 0.00 C ATOM 912 C LYS A 58 -7.884 17.947 7.092 1.00 0.00 C ATOM 913 O LYS A 58 -8.538 17.237 7.855 1.00 0.00 O ATOM 914 CB LYS A 58 -6.366 19.753 7.927 1.00 0.00 C ATOM 915 CG LYS A 58 -5.812 19.871 9.337 1.00 0.00 C ATOM 916 CD LYS A 58 -6.496 20.986 10.114 1.00 0.00 C ATOM 917 CE LYS A 58 -5.493 21.819 10.895 1.00 0.00 C ATOM 918 NZ LYS A 58 -6.099 23.075 11.416 1.00 0.00 N ATOM 0 H LYS A 58 -5.299 19.017 5.790 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.097 17.616 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.746 20.342 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.366 20.186 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.946 18.925 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.740 20.062 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.044 21.628 9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.227 20.557 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.103 21.232 11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.647 22.064 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.382 23.614 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.448 23.648 10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.891 22.842 12.049 1.00 0.00 H new ATOM 932 N THR A 59 -8.391 18.473 5.984 1.00 0.00 N ATOM 933 CA THR A 59 -9.781 18.248 5.581 1.00 0.00 C ATOM 934 C THR A 59 -10.212 16.782 5.692 1.00 0.00 C ATOM 935 O THR A 59 -11.225 16.480 6.321 1.00 0.00 O ATOM 936 CB THR A 59 -10.008 18.752 4.155 1.00 0.00 C ATOM 937 OG1 THR A 59 -8.991 19.662 3.776 1.00 0.00 O ATOM 938 CG2 THR A 59 -11.338 19.453 3.974 1.00 0.00 C ATOM 0 H THR A 59 -7.860 19.062 5.343 1.00 0.00 H new ATOM 0 HA THR A 59 -10.400 18.813 6.278 1.00 0.00 H new ATOM 0 HB THR A 59 -9.994 17.860 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.302 20.205 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.436 19.786 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.148 18.763 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.388 20.315 4.639 1.00 0.00 H new ATOM 946 N PRO A 60 -9.476 15.851 5.063 1.00 0.00 N ATOM 947 CA PRO A 60 -9.820 14.424 5.081 1.00 0.00 C ATOM 948 C PRO A 60 -9.552 13.746 6.423 1.00 0.00 C ATOM 949 O PRO A 60 -10.284 12.841 6.826 1.00 0.00 O ATOM 950 CB PRO A 60 -8.919 13.814 3.993 1.00 0.00 C ATOM 951 CG PRO A 60 -8.300 14.972 3.280 1.00 0.00 C ATOM 952 CD PRO A 60 -8.270 16.100 4.267 1.00 0.00 C ATOM 0 HA PRO A 60 -10.887 14.283 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.156 13.172 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.498 13.197 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.295 14.727 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.880 15.242 2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.368 16.081 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.301 17.072 3.775 1.00 0.00 H new ATOM 960 N LEU A 61 -8.488 14.161 7.096 1.00 0.00 N ATOM 961 CA LEU A 61 -8.112 13.566 8.374 1.00 0.00 C ATOM 962 C LEU A 61 -9.072 13.938 9.501 1.00 0.00 C ATOM 963 O LEU A 61 -9.464 13.084 10.297 1.00 0.00 O ATOM 964 CB LEU A 61 -6.693 13.974 8.739 1.00 0.00 C ATOM 965 CG LEU A 61 -5.631 12.947 8.362 1.00 0.00 C ATOM 966 CD1 LEU A 61 -5.629 11.792 9.351 1.00 0.00 C ATOM 967 CD2 LEU A 61 -5.864 12.441 6.946 1.00 0.00 C ATOM 0 H LEU A 61 -7.869 14.907 6.780 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.167 12.484 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.460 14.918 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.643 14.154 9.813 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.654 13.429 8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.865 11.070 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.416 12.170 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.606 11.308 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.098 11.709 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.847 11.975 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.814 13.277 6.248 1.00 0.00 H new ATOM 979 N GLU A 62 -9.429 15.212 9.582 1.00 0.00 N ATOM 980 CA GLU A 62 -10.324 15.685 10.634 1.00 0.00 C ATOM 981 C GLU A 62 -11.773 15.281 10.379 1.00 0.00 C ATOM 982 O GLU A 62 -12.552 15.118 11.317 1.00 0.00 O ATOM 983 CB GLU A 62 -10.219 17.207 10.771 1.00 0.00 C ATOM 984 CG GLU A 62 -9.744 17.662 12.141 1.00 0.00 C ATOM 985 CD GLU A 62 -8.245 17.879 12.196 1.00 0.00 C ATOM 986 OE1 GLU A 62 -7.682 18.392 11.205 1.00 0.00 O ATOM 987 OE2 GLU A 62 -7.633 17.536 13.230 1.00 0.00 O ATOM 0 H GLU A 62 -9.115 15.936 8.936 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.011 15.213 11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.533 17.585 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.194 17.650 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.252 18.589 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.027 16.918 12.885 1.00 0.00 H new ATOM 994 N LYS A 63 -12.136 15.137 9.111 1.00 0.00 N ATOM 995 CA LYS A 63 -13.501 14.770 8.754 1.00 0.00 C ATOM 996 C LYS A 63 -13.742 13.269 8.881 1.00 0.00 C ATOM 997 O LYS A 63 -14.840 12.841 9.236 1.00 0.00 O ATOM 998 CB LYS A 63 -13.816 15.226 7.329 1.00 0.00 C ATOM 999 CG LYS A 63 -14.301 16.664 7.244 1.00 0.00 C ATOM 1000 CD LYS A 63 -13.864 17.326 5.947 1.00 0.00 C ATOM 1001 CE LYS A 63 -15.027 18.019 5.254 1.00 0.00 C ATOM 1002 NZ LYS A 63 -15.869 18.787 6.212 1.00 0.00 N ATOM 0 H LYS A 63 -11.509 15.268 8.317 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.166 15.274 9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.922 15.116 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.576 14.569 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.388 16.687 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.913 17.230 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.078 18.052 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.437 16.576 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.643 18.693 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.642 17.276 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.251 19.631 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.654 18.189 6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.291 19.079 7.026 1.00 0.00 H new ATOM 1016 N ASP A 64 -12.727 12.467 8.572 1.00 0.00 N ATOM 1017 CA ASP A 64 -12.867 11.014 8.641 1.00 0.00 C ATOM 1018 C ASP A 64 -12.234 10.426 9.905 1.00 0.00 C ATOM 1019 O ASP A 64 -12.469 9.266 10.239 1.00 0.00 O ATOM 1020 CB ASP A 64 -12.247 10.375 7.396 1.00 0.00 C ATOM 1021 CG ASP A 64 -13.262 9.613 6.564 1.00 0.00 C ATOM 1022 OD1 ASP A 64 -14.477 9.820 6.770 1.00 0.00 O ATOM 1023 OD2 ASP A 64 -12.842 8.810 5.705 1.00 0.00 O ATOM 0 H ASP A 64 -11.807 12.793 8.274 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.933 10.789 8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.790 11.152 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.449 9.697 7.699 1.00 0.00 H new ATOM 1028 N GLY A 65 -11.445 11.228 10.615 1.00 0.00 N ATOM 1029 CA GLY A 65 -10.809 10.754 11.834 1.00 0.00 C ATOM 1030 C GLY A 65 -10.116 9.406 11.670 1.00 0.00 C ATOM 1031 O GLY A 65 -9.948 8.669 12.641 1.00 0.00 O ATOM 0 H GLY A 65 -11.235 12.195 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.078 11.492 12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.560 10.675 12.620 1.00 0.00 H new ATOM 1035 N ILE A 66 -9.709 9.087 10.442 1.00 0.00 N ATOM 1036 CA ILE A 66 -9.025 7.824 10.160 1.00 0.00 C ATOM 1037 C ILE A 66 -7.512 8.004 10.179 1.00 0.00 C ATOM 1038 O ILE A 66 -7.001 9.059 9.807 1.00 0.00 O ATOM 1039 CB ILE A 66 -9.422 7.249 8.786 1.00 0.00 C ATOM 1040 CG1 ILE A 66 -10.936 7.277 8.602 1.00 0.00 C ATOM 1041 CG2 ILE A 66 -8.896 5.831 8.636 1.00 0.00 C ATOM 1042 CD1 ILE A 66 -11.367 7.031 7.173 1.00 0.00 C ATOM 0 H ILE A 66 -9.841 9.685 9.626 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.331 7.130 10.943 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.974 7.873 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.388 6.523 9.246 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.317 8.245 8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.184 5.437 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.809 5.835 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.317 5.202 9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.455 7.064 7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -10.943 7.800 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.014 6.051 6.850 1.00 0.00 H new ATOM 1054 N THR A 67 -6.798 6.963 10.595 1.00 0.00 N ATOM 1055 CA THR A 67 -5.342 7.015 10.634 1.00 0.00 C ATOM 1056 C THR A 67 -4.794 6.819 9.227 1.00 0.00 C ATOM 1057 O THR A 67 -5.175 5.878 8.531 1.00 0.00 O ATOM 1058 CB THR A 67 -4.789 5.939 11.572 1.00 0.00 C ATOM 1059 OG1 THR A 67 -5.633 5.774 12.698 1.00 0.00 O ATOM 1060 CG2 THR A 67 -3.398 6.246 12.081 1.00 0.00 C ATOM 0 H THR A 67 -7.201 6.080 10.908 1.00 0.00 H new ATOM 0 HA THR A 67 -5.030 7.988 11.013 1.00 0.00 H new ATOM 0 HB THR A 67 -4.746 5.029 10.974 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.264 5.081 13.285 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.066 5.444 12.740 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.712 6.330 11.238 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.412 7.186 12.632 1.00 0.00 H new ATOM 1068 N VAL A 68 -3.929 7.727 8.793 1.00 0.00 N ATOM 1069 CA VAL A 68 -3.375 7.651 7.448 1.00 0.00 C ATOM 1070 C VAL A 68 -1.929 8.133 7.392 1.00 0.00 C ATOM 1071 O VAL A 68 -1.502 8.961 8.197 1.00 0.00 O ATOM 1072 CB VAL A 68 -4.228 8.497 6.477 1.00 0.00 C ATOM 1073 CG1 VAL A 68 -4.224 9.957 6.899 1.00 0.00 C ATOM 1074 CG2 VAL A 68 -3.745 8.357 5.041 1.00 0.00 C ATOM 0 H VAL A 68 -3.599 8.517 9.347 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.393 6.602 7.152 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.250 8.121 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.830 10.538 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.638 10.047 7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.202 10.335 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.369 8.966 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.710 8.692 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.810 7.313 4.735 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.193 7.625 6.410 1.00 0.00 N ATOM 1085 CA VAL A 69 0.194 8.012 6.200 1.00 0.00 C ATOM 1086 C VAL A 69 0.262 8.971 5.022 1.00 0.00 C ATOM 1087 O VAL A 69 -0.345 8.723 3.980 1.00 0.00 O ATOM 1088 CB VAL A 69 1.100 6.791 5.913 1.00 0.00 C ATOM 1089 CG1 VAL A 69 2.561 7.130 6.169 1.00 0.00 C ATOM 1090 CG2 VAL A 69 0.675 5.592 6.747 1.00 0.00 C ATOM 0 H VAL A 69 -1.540 6.937 5.741 1.00 0.00 H new ATOM 0 HA VAL A 69 0.555 8.487 7.112 1.00 0.00 H new ATOM 0 HB VAL A 69 0.989 6.530 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.179 6.257 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.863 7.952 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.689 7.425 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.327 4.747 6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.748 5.841 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.355 5.328 6.506 1.00 0.00 H new ATOM 1100 N ASP A 70 0.978 10.072 5.187 1.00 0.00 N ATOM 1101 CA ASP A 70 1.081 11.060 4.123 1.00 0.00 C ATOM 1102 C ASP A 70 2.402 10.927 3.385 1.00 0.00 C ATOM 1103 O ASP A 70 3.459 11.289 3.902 1.00 0.00 O ATOM 1104 CB ASP A 70 0.940 12.473 4.694 1.00 0.00 C ATOM 1105 CG ASP A 70 0.459 13.470 3.658 1.00 0.00 C ATOM 1106 OD1 ASP A 70 0.556 13.166 2.450 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -0.017 14.555 4.055 1.00 0.00 O ATOM 0 H ASP A 70 1.492 10.303 6.037 1.00 0.00 H new ATOM 0 HA ASP A 70 0.272 10.880 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.241 12.456 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.902 12.800 5.090 1.00 0.00 H new ATOM 1112 N TRP A 71 2.330 10.403 2.168 1.00 0.00 N ATOM 1113 CA TRP A 71 3.516 10.218 1.350 1.00 0.00 C ATOM 1114 C TRP A 71 3.499 11.164 0.151 1.00 0.00 C ATOM 1115 O TRP A 71 2.774 10.935 -0.816 1.00 0.00 O ATOM 1116 CB TRP A 71 3.548 8.787 0.831 1.00 0.00 C ATOM 1117 CG TRP A 71 4.256 7.810 1.712 1.00 0.00 C ATOM 1118 CD1 TRP A 71 4.090 7.611 3.054 1.00 0.00 C ATOM 1119 CD2 TRP A 71 5.240 6.877 1.284 1.00 0.00 C ATOM 1120 NE1 TRP A 71 4.920 6.603 3.483 1.00 0.00 N ATOM 1121 CE2 TRP A 71 5.636 6.138 2.411 1.00 0.00 C ATOM 1122 CE3 TRP A 71 5.825 6.597 0.048 1.00 0.00 C ATOM 1123 CZ2 TRP A 71 6.592 5.135 2.335 1.00 0.00 C ATOM 1124 CZ3 TRP A 71 6.772 5.603 -0.025 1.00 0.00 C ATOM 1125 CH2 TRP A 71 7.147 4.882 1.111 1.00 0.00 C ATOM 0 H TRP A 71 1.461 10.099 1.728 1.00 0.00 H new ATOM 0 HA TRP A 71 4.393 10.428 1.962 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.523 8.446 0.687 1.00 0.00 H new ATOM 0 HB3 TRP A 71 4.026 8.783 -0.148 1.00 0.00 H new ATOM 0 HD1 TRP A 71 3.408 8.164 3.684 1.00 0.00 H new ATOM 0 HE1 TRP A 71 4.991 6.258 4.440 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.539 7.151 -0.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 6.887 4.575 3.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 7.233 5.376 -0.975 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.893 4.106 1.021 1.00 0.00 H new ATOM 1136 N PRO A 72 4.283 12.248 0.199 1.00 0.00 N ATOM 1137 CA PRO A 72 4.351 13.234 -0.856 1.00 0.00 C ATOM 1138 C PRO A 72 5.676 13.194 -1.614 1.00 0.00 C ATOM 1139 O PRO A 72 6.542 12.369 -1.324 1.00 0.00 O ATOM 1140 CB PRO A 72 4.253 14.498 -0.025 1.00 0.00 C ATOM 1141 CG PRO A 72 5.044 14.181 1.221 1.00 0.00 C ATOM 1142 CD PRO A 72 5.140 12.666 1.308 1.00 0.00 C ATOM 0 HA PRO A 72 3.598 13.109 -1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.669 15.356 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.217 14.740 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.037 14.629 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.553 14.588 2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.165 12.314 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.783 12.288 2.266 1.00 0.00 H new ATOM 1150 N PHE A 73 5.834 14.102 -2.573 1.00 0.00 N ATOM 1151 CA PHE A 73 7.063 14.179 -3.354 1.00 0.00 C ATOM 1152 C PHE A 73 7.642 15.589 -3.317 1.00 0.00 C ATOM 1153 O PHE A 73 6.981 16.554 -3.701 1.00 0.00 O ATOM 1154 CB PHE A 73 6.815 13.757 -4.802 1.00 0.00 C ATOM 1155 CG PHE A 73 7.986 13.048 -5.420 1.00 0.00 C ATOM 1156 CD1 PHE A 73 9.062 13.765 -5.916 1.00 0.00 C ATOM 1157 CD2 PHE A 73 8.010 11.666 -5.503 1.00 0.00 C ATOM 1158 CE1 PHE A 73 10.142 13.116 -6.485 1.00 0.00 C ATOM 1159 CE2 PHE A 73 9.087 11.010 -6.071 1.00 0.00 C ATOM 1160 CZ PHE A 73 10.154 11.736 -6.563 1.00 0.00 C ATOM 0 H PHE A 73 5.128 14.793 -2.827 1.00 0.00 H new ATOM 0 HA PHE A 73 7.783 13.493 -2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.943 13.105 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.578 14.640 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.057 14.843 -5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.178 11.094 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.975 13.686 -6.868 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.094 9.932 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 73 10.996 11.226 -7.008 1.00 0.00 H new ATOM 1170 N ASP A 74 8.882 15.699 -2.853 1.00 0.00 N ATOM 1171 CA ASP A 74 9.560 16.989 -2.761 1.00 0.00 C ATOM 1172 C ASP A 74 10.929 16.826 -2.108 1.00 0.00 C ATOM 1173 O ASP A 74 11.444 15.714 -1.994 1.00 0.00 O ATOM 1174 CB ASP A 74 8.712 17.985 -1.962 1.00 0.00 C ATOM 1175 CG ASP A 74 8.625 19.340 -2.637 1.00 0.00 C ATOM 1176 OD1 ASP A 74 9.526 20.176 -2.410 1.00 0.00 O ATOM 1177 OD2 ASP A 74 7.657 19.565 -3.394 1.00 0.00 O ATOM 0 H ASP A 74 9.441 14.908 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 74 9.697 17.377 -3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.708 17.581 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.139 18.105 -0.966 1.00 0.00 H new ATOM 1182 N ASP A 75 11.514 17.939 -1.678 1.00 0.00 N ATOM 1183 CA ASP A 75 12.822 17.913 -1.033 1.00 0.00 C ATOM 1184 C ASP A 75 12.800 17.027 0.211 1.00 0.00 C ATOM 1185 O ASP A 75 13.845 16.568 0.674 1.00 0.00 O ATOM 1186 CB ASP A 75 13.256 19.330 -0.658 1.00 0.00 C ATOM 1187 CG ASP A 75 14.072 19.993 -1.750 1.00 0.00 C ATOM 1188 OD1 ASP A 75 13.536 20.180 -2.862 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.248 20.326 -1.493 1.00 0.00 O ATOM 0 H ASP A 75 11.104 18.869 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 75 13.540 17.496 -1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.373 19.934 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.842 19.296 0.260 1.00 0.00 H new ATOM 1194 N GLY A 76 11.607 16.793 0.753 1.00 0.00 N ATOM 1195 CA GLY A 76 11.480 15.968 1.939 1.00 0.00 C ATOM 1196 C GLY A 76 10.995 14.562 1.632 1.00 0.00 C ATOM 1197 O GLY A 76 10.482 13.874 2.514 1.00 0.00 O ATOM 0 H GLY A 76 10.727 17.161 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.446 15.912 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.786 16.443 2.633 1.00 0.00 H new ATOM 1201 N ALA A 77 11.161 14.131 0.384 1.00 0.00 N ATOM 1202 CA ALA A 77 10.737 12.795 -0.023 1.00 0.00 C ATOM 1203 C ALA A 77 11.946 11.887 -0.239 1.00 0.00 C ATOM 1204 O ALA A 77 12.626 11.984 -1.260 1.00 0.00 O ATOM 1205 CB ALA A 77 9.899 12.869 -1.292 1.00 0.00 C ATOM 0 H ALA A 77 11.585 14.685 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 77 10.127 12.371 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.590 11.865 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.016 13.482 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.490 13.313 -2.093 1.00 0.00 H new ATOM 1211 N PRO A 78 12.236 10.992 0.724 1.00 0.00 N ATOM 1212 CA PRO A 78 13.376 10.071 0.635 1.00 0.00 C ATOM 1213 C PRO A 78 13.207 9.036 -0.479 1.00 0.00 C ATOM 1214 O PRO A 78 12.375 8.136 -0.377 1.00 0.00 O ATOM 1215 CB PRO A 78 13.400 9.374 2.005 1.00 0.00 C ATOM 1216 CG PRO A 78 12.516 10.195 2.883 1.00 0.00 C ATOM 1217 CD PRO A 78 11.490 10.809 1.978 1.00 0.00 C ATOM 0 HA PRO A 78 14.298 10.603 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.037 8.349 1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.413 9.325 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.043 9.578 3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.088 10.964 3.403 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.626 10.158 1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.118 11.756 2.370 1.00 0.00 H new ATOM 1225 N PRO A 79 13.995 9.152 -1.563 1.00 0.00 N ATOM 1226 CA PRO A 79 13.927 8.221 -2.696 1.00 0.00 C ATOM 1227 C PRO A 79 14.055 6.745 -2.295 1.00 0.00 C ATOM 1228 O PRO A 79 13.303 5.903 -2.786 1.00 0.00 O ATOM 1229 CB PRO A 79 15.114 8.634 -3.570 1.00 0.00 C ATOM 1230 CG PRO A 79 15.356 10.063 -3.231 1.00 0.00 C ATOM 1231 CD PRO A 79 15.014 10.202 -1.775 1.00 0.00 C ATOM 0 HA PRO A 79 12.958 8.283 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.992 8.023 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 79 14.887 8.512 -4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 79 16.394 10.339 -3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.737 10.720 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 79 15.887 10.049 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.623 11.194 -1.546 1.00 0.00 H new ATOM 1239 N PRO A 80 15.022 6.395 -1.419 1.00 0.00 N ATOM 1240 CA PRO A 80 15.238 5.005 -0.999 1.00 0.00 C ATOM 1241 C PRO A 80 13.970 4.309 -0.507 1.00 0.00 C ATOM 1242 O PRO A 80 13.031 4.947 -0.033 1.00 0.00 O ATOM 1243 CB PRO A 80 16.269 5.107 0.137 1.00 0.00 C ATOM 1244 CG PRO A 80 16.383 6.559 0.456 1.00 0.00 C ATOM 1245 CD PRO A 80 15.994 7.301 -0.788 1.00 0.00 C ATOM 0 HA PRO A 80 15.571 4.399 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.946 4.540 1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 80 17.231 4.698 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 80 15.730 6.826 1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 80 17.400 6.811 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 80 15.553 8.271 -0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 80 16.853 7.486 -1.434 1.00 0.00 H new ATOM 1253 N GLY A 81 13.972 2.985 -0.631 1.00 0.00 N ATOM 1254 CA GLY A 81 12.847 2.165 -0.210 1.00 0.00 C ATOM 1255 C GLY A 81 12.550 2.261 1.274 1.00 0.00 C ATOM 1256 O GLY A 81 11.458 1.890 1.717 1.00 0.00 O ATOM 0 H GLY A 81 14.750 2.455 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.961 2.463 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.050 1.125 -0.465 1.00 0.00 H new ATOM 1260 N LYS A 82 13.533 2.716 2.052 1.00 0.00 N ATOM 1261 CA LYS A 82 13.380 2.809 3.501 1.00 0.00 C ATOM 1262 C LYS A 82 12.097 3.546 3.869 1.00 0.00 C ATOM 1263 O LYS A 82 11.428 3.183 4.838 1.00 0.00 O ATOM 1264 CB LYS A 82 14.585 3.525 4.116 1.00 0.00 C ATOM 1265 CG LYS A 82 15.118 2.851 5.369 1.00 0.00 C ATOM 1266 CD LYS A 82 16.380 3.532 5.873 1.00 0.00 C ATOM 1267 CE LYS A 82 17.580 3.198 5.001 1.00 0.00 C ATOM 1268 NZ LYS A 82 18.783 3.988 5.386 1.00 0.00 N ATOM 0 H LYS A 82 14.440 3.025 1.703 1.00 0.00 H new ATOM 0 HA LYS A 82 13.322 1.796 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.383 3.578 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.304 4.550 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.356 2.873 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.328 1.802 5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.230 4.612 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.577 3.222 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.803 2.134 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.336 3.394 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.579 3.731 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.579 5.003 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.032 3.782 6.375 1.00 0.00 H new ATOM 1282 N VAL A 83 11.723 4.552 3.083 1.00 0.00 N ATOM 1283 CA VAL A 83 10.482 5.270 3.352 1.00 0.00 C ATOM 1284 C VAL A 83 9.345 4.261 3.429 1.00 0.00 C ATOM 1285 O VAL A 83 8.516 4.292 4.346 1.00 0.00 O ATOM 1286 CB VAL A 83 10.149 6.322 2.271 1.00 0.00 C ATOM 1287 CG1 VAL A 83 10.743 7.673 2.636 1.00 0.00 C ATOM 1288 CG2 VAL A 83 10.631 5.874 0.897 1.00 0.00 C ATOM 0 H VAL A 83 12.248 4.882 2.273 1.00 0.00 H new ATOM 0 HA VAL A 83 10.608 5.805 4.293 1.00 0.00 H new ATOM 0 HB VAL A 83 9.065 6.424 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.497 8.400 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.332 8.005 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.826 7.584 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.382 6.635 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.711 5.730 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.145 4.936 0.629 1.00 0.00 H new ATOM 1298 N VAL A 84 9.346 3.335 2.471 1.00 0.00 N ATOM 1299 CA VAL A 84 8.350 2.279 2.424 1.00 0.00 C ATOM 1300 C VAL A 84 8.351 1.529 3.741 1.00 0.00 C ATOM 1301 O VAL A 84 7.298 1.244 4.311 1.00 0.00 O ATOM 1302 CB VAL A 84 8.623 1.293 1.275 1.00 0.00 C ATOM 1303 CG1 VAL A 84 7.502 0.279 1.174 1.00 0.00 C ATOM 1304 CG2 VAL A 84 8.792 2.029 -0.044 1.00 0.00 C ATOM 0 H VAL A 84 10.031 3.300 1.716 1.00 0.00 H new ATOM 0 HA VAL A 84 7.377 2.739 2.250 1.00 0.00 H new ATOM 0 HB VAL A 84 9.553 0.767 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.709 -0.412 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.428 -0.276 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.561 0.795 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.984 1.310 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.882 2.585 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.631 2.721 0.030 1.00 0.00 H new ATOM 1314 N GLU A 85 9.550 1.243 4.236 1.00 0.00 N ATOM 1315 CA GLU A 85 9.691 0.561 5.513 1.00 0.00 C ATOM 1316 C GLU A 85 8.945 1.346 6.588 1.00 0.00 C ATOM 1317 O GLU A 85 8.412 0.772 7.538 1.00 0.00 O ATOM 1318 CB GLU A 85 11.168 0.407 5.889 1.00 0.00 C ATOM 1319 CG GLU A 85 12.010 -0.252 4.806 1.00 0.00 C ATOM 1320 CD GLU A 85 12.034 -1.766 4.920 1.00 0.00 C ATOM 1321 OE1 GLU A 85 11.270 -2.313 5.744 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.817 -2.405 4.183 1.00 0.00 O ATOM 0 H GLU A 85 10.431 1.471 3.775 1.00 0.00 H new ATOM 0 HA GLU A 85 9.263 -0.438 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.582 1.391 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.241 -0.182 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.620 0.028 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.030 0.128 4.863 1.00 0.00 H new ATOM 1329 N ASP A 86 8.903 2.671 6.417 1.00 0.00 N ATOM 1330 CA ASP A 86 8.208 3.543 7.360 1.00 0.00 C ATOM 1331 C ASP A 86 6.715 3.238 7.365 1.00 0.00 C ATOM 1332 O ASP A 86 6.117 3.028 8.425 1.00 0.00 O ATOM 1333 CB ASP A 86 8.441 5.010 6.995 1.00 0.00 C ATOM 1334 CG ASP A 86 8.603 5.891 8.218 1.00 0.00 C ATOM 1335 OD1 ASP A 86 9.747 6.031 8.701 1.00 0.00 O ATOM 1336 OD2 ASP A 86 7.588 6.442 8.692 1.00 0.00 O ATOM 0 H ASP A 86 9.342 3.159 5.636 1.00 0.00 H new ATOM 0 HA ASP A 86 8.606 3.360 8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.332 5.090 6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.603 5.371 6.399 1.00 0.00 H new ATOM 1341 N TRP A 87 6.114 3.190 6.179 1.00 0.00 N ATOM 1342 CA TRP A 87 4.691 2.882 6.073 1.00 0.00 C ATOM 1343 C TRP A 87 4.440 1.440 6.503 1.00 0.00 C ATOM 1344 O TRP A 87 3.376 1.112 7.028 1.00 0.00 O ATOM 1345 CB TRP A 87 4.181 3.128 4.641 1.00 0.00 C ATOM 1346 CG TRP A 87 3.396 1.988 4.055 1.00 0.00 C ATOM 1347 CD1 TRP A 87 3.866 1.027 3.208 1.00 0.00 C ATOM 1348 CD2 TRP A 87 2.007 1.693 4.267 1.00 0.00 C ATOM 1349 NE1 TRP A 87 2.858 0.156 2.876 1.00 0.00 N ATOM 1350 CE2 TRP A 87 1.707 0.544 3.510 1.00 0.00 C ATOM 1351 CE3 TRP A 87 0.989 2.286 5.019 1.00 0.00 C ATOM 1352 CZ2 TRP A 87 0.434 -0.020 3.481 1.00 0.00 C ATOM 1353 CZ3 TRP A 87 -0.277 1.724 4.991 1.00 0.00 C ATOM 1354 CH2 TRP A 87 -0.544 0.580 4.225 1.00 0.00 C ATOM 0 H TRP A 87 6.583 3.358 5.289 1.00 0.00 H new ATOM 0 HA TRP A 87 4.138 3.546 6.738 1.00 0.00 H new ATOM 0 HB2 TRP A 87 3.556 4.021 4.640 1.00 0.00 H new ATOM 0 HB3 TRP A 87 5.034 3.335 3.995 1.00 0.00 H new ATOM 0 HD1 TRP A 87 4.883 0.961 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 87 2.951 -0.650 2.257 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.186 3.167 5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 0.226 -0.901 2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.071 2.174 5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.541 0.165 4.223 1.00 0.00 H new ATOM 1365 N LEU A 88 5.436 0.584 6.283 1.00 0.00 N ATOM 1366 CA LEU A 88 5.334 -0.821 6.654 1.00 0.00 C ATOM 1367 C LEU A 88 5.098 -0.960 8.152 1.00 0.00 C ATOM 1368 O LEU A 88 4.204 -1.684 8.586 1.00 0.00 O ATOM 1369 CB LEU A 88 6.604 -1.571 6.253 1.00 0.00 C ATOM 1370 CG LEU A 88 6.673 -1.981 4.782 1.00 0.00 C ATOM 1371 CD1 LEU A 88 7.987 -2.686 4.487 1.00 0.00 C ATOM 1372 CD2 LEU A 88 5.490 -2.872 4.422 1.00 0.00 C ATOM 0 H LEU A 88 6.322 0.842 5.849 1.00 0.00 H new ATOM 0 HA LEU A 88 4.487 -1.256 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.466 -0.944 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.689 -2.466 6.869 1.00 0.00 H new ATOM 0 HG LEU A 88 6.623 -1.081 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.019 -2.971 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.817 -2.015 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.068 -3.579 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.554 -3.155 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.508 -3.769 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.560 -2.330 4.596 1.00 0.00 H new ATOM 1384 N SER A 89 5.903 -0.250 8.937 1.00 0.00 N ATOM 1385 CA SER A 89 5.773 -0.284 10.388 1.00 0.00 C ATOM 1386 C SER A 89 4.423 0.281 10.808 1.00 0.00 C ATOM 1387 O SER A 89 3.769 -0.245 11.708 1.00 0.00 O ATOM 1388 CB SER A 89 6.904 0.512 11.043 1.00 0.00 C ATOM 1389 OG SER A 89 8.046 -0.301 11.253 1.00 0.00 O ATOM 0 H SER A 89 6.650 0.354 8.593 1.00 0.00 H new ATOM 0 HA SER A 89 5.839 -1.320 10.719 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.169 1.360 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.563 0.918 11.995 1.00 0.00 H new ATOM 0 HG SER A 89 8.754 0.232 11.671 1.00 0.00 H new ATOM 1395 N LEU A 90 4.009 1.353 10.139 1.00 0.00 N ATOM 1396 CA LEU A 90 2.730 1.990 10.431 1.00 0.00 C ATOM 1397 C LEU A 90 1.580 1.005 10.229 1.00 0.00 C ATOM 1398 O LEU A 90 0.735 0.825 11.109 1.00 0.00 O ATOM 1399 CB LEU A 90 2.537 3.212 9.529 1.00 0.00 C ATOM 1400 CG LEU A 90 1.440 4.184 9.967 1.00 0.00 C ATOM 1401 CD1 LEU A 90 0.066 3.561 9.778 1.00 0.00 C ATOM 1402 CD2 LEU A 90 1.645 4.603 11.415 1.00 0.00 C ATOM 0 H LEU A 90 4.541 1.798 9.391 1.00 0.00 H new ATOM 0 HA LEU A 90 2.732 2.310 11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.480 3.756 9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.311 2.866 8.520 1.00 0.00 H new ATOM 0 HG LEU A 90 1.500 5.074 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.701 4.268 10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.080 3.315 8.726 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.007 2.653 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.855 5.294 11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.614 3.722 12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.613 5.093 11.518 1.00 0.00 H new ATOM 1414 N VAL A 91 1.560 0.365 9.064 1.00 0.00 N ATOM 1415 CA VAL A 91 0.522 -0.605 8.742 1.00 0.00 C ATOM 1416 C VAL A 91 0.674 -1.870 9.580 1.00 0.00 C ATOM 1417 O VAL A 91 -0.314 -2.483 9.982 1.00 0.00 O ATOM 1418 CB VAL A 91 0.545 -0.980 7.246 1.00 0.00 C ATOM 1419 CG1 VAL A 91 1.854 -1.666 6.883 1.00 0.00 C ATOM 1420 CG2 VAL A 91 -0.644 -1.863 6.900 1.00 0.00 C ATOM 0 H VAL A 91 2.252 0.502 8.327 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.434 -0.135 8.972 1.00 0.00 H new ATOM 0 HB VAL A 91 0.471 -0.064 6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.849 -1.922 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.687 -0.994 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.965 -2.574 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.612 -2.118 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.604 -2.776 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.569 -1.329 7.117 1.00 0.00 H new ATOM 1430 N LYS A 92 1.921 -2.255 9.844 1.00 0.00 N ATOM 1431 CA LYS A 92 2.202 -3.446 10.639 1.00 0.00 C ATOM 1432 C LYS A 92 1.532 -3.349 12.004 1.00 0.00 C ATOM 1433 O LYS A 92 0.868 -4.285 12.450 1.00 0.00 O ATOM 1434 CB LYS A 92 3.712 -3.631 10.808 1.00 0.00 C ATOM 1435 CG LYS A 92 4.289 -4.741 9.944 1.00 0.00 C ATOM 1436 CD LYS A 92 4.612 -5.978 10.766 1.00 0.00 C ATOM 1437 CE LYS A 92 4.615 -7.233 9.907 1.00 0.00 C ATOM 1438 NZ LYS A 92 5.669 -8.194 10.333 1.00 0.00 N ATOM 0 H LYS A 92 2.751 -1.759 9.519 1.00 0.00 H new ATOM 0 HA LYS A 92 1.798 -4.311 10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.214 -2.694 10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.929 -3.846 11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.577 -5.000 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.193 -4.386 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.587 -5.857 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.880 -6.086 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.639 -7.715 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.774 -6.959 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.638 -9.036 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.603 -7.743 10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.503 -8.476 11.320 1.00 0.00 H new ATOM 1452 N ALA A 93 1.705 -2.207 12.661 1.00 0.00 N ATOM 1453 CA ALA A 93 1.112 -1.983 13.971 1.00 0.00 C ATOM 1454 C ALA A 93 -0.409 -1.958 13.878 1.00 0.00 C ATOM 1455 O ALA A 93 -1.101 -2.534 14.717 1.00 0.00 O ATOM 1456 CB ALA A 93 1.630 -0.684 14.572 1.00 0.00 C ATOM 0 H ALA A 93 2.252 -1.423 12.306 1.00 0.00 H new ATOM 0 HA ALA A 93 1.400 -2.807 14.623 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.177 -0.530 15.552 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.714 -0.739 14.677 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.371 0.148 13.918 1.00 0.00 H new ATOM 1462 N LYS A 94 -0.921 -1.287 12.851 1.00 0.00 N ATOM 1463 CA LYS A 94 -2.363 -1.189 12.649 1.00 0.00 C ATOM 1464 C LYS A 94 -2.952 -2.532 12.224 1.00 0.00 C ATOM 1465 O LYS A 94 -4.128 -2.808 12.465 1.00 0.00 O ATOM 1466 CB LYS A 94 -2.677 -0.126 11.594 1.00 0.00 C ATOM 1467 CG LYS A 94 -2.810 1.277 12.165 1.00 0.00 C ATOM 1468 CD LYS A 94 -4.262 1.726 12.215 1.00 0.00 C ATOM 1469 CE LYS A 94 -4.894 1.419 13.563 1.00 0.00 C ATOM 1470 NZ LYS A 94 -6.303 0.959 13.425 1.00 0.00 N ATOM 0 H LYS A 94 -0.361 -0.805 12.148 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.817 -0.901 13.597 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.889 -0.130 10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.604 -0.392 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.386 1.304 13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.234 1.974 11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.320 2.797 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.825 1.228 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.310 0.652 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.863 2.310 14.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.697 0.760 14.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.867 1.701 12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.331 0.094 12.849 1.00 0.00 H new ATOM 1484 N PHE A 95 -2.132 -3.365 11.587 1.00 0.00 N ATOM 1485 CA PHE A 95 -2.579 -4.676 11.126 1.00 0.00 C ATOM 1486 C PHE A 95 -2.543 -5.700 12.255 1.00 0.00 C ATOM 1487 O PHE A 95 -3.532 -6.384 12.516 1.00 0.00 O ATOM 1488 CB PHE A 95 -1.712 -5.151 9.959 1.00 0.00 C ATOM 1489 CG PHE A 95 -2.297 -4.816 8.617 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -2.774 -3.542 8.357 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -2.374 -5.774 7.620 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.317 -3.229 7.127 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.916 -5.467 6.387 1.00 0.00 C ATOM 1494 CZ PHE A 95 -3.388 -4.192 6.141 1.00 0.00 C ATOM 0 H PHE A 95 -1.156 -3.155 11.379 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.611 -4.579 10.788 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.723 -4.699 10.041 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.576 -6.230 10.031 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.721 -2.785 9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.006 -6.772 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.686 -2.232 6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.971 -6.222 5.617 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.812 -3.949 5.178 1.00 0.00 H new ATOM 1504 N CYS A 96 -1.398 -5.801 12.922 1.00 0.00 N ATOM 1505 CA CYS A 96 -1.238 -6.744 14.022 1.00 0.00 C ATOM 1506 C CYS A 96 -2.245 -6.462 15.133 1.00 0.00 C ATOM 1507 O CYS A 96 -2.776 -7.384 15.752 1.00 0.00 O ATOM 1508 CB CYS A 96 0.184 -6.672 14.580 1.00 0.00 C ATOM 1509 SG CYS A 96 0.592 -8.001 15.736 1.00 0.00 S ATOM 0 H CYS A 96 -0.569 -5.242 12.720 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.421 -7.747 13.636 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.890 -6.698 13.750 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.317 -5.714 15.083 1.00 0.00 H new ATOM 0 HG CYS A 96 1.815 -7.855 16.151 1.00 0.00 H new ATOM 1515 N GLU A 97 -2.500 -5.182 15.381 1.00 0.00 N ATOM 1516 CA GLU A 97 -3.440 -4.776 16.420 1.00 0.00 C ATOM 1517 C GLU A 97 -4.884 -4.973 15.968 1.00 0.00 C ATOM 1518 O GLU A 97 -5.761 -5.275 16.778 1.00 0.00 O ATOM 1519 CB GLU A 97 -3.210 -3.311 16.798 1.00 0.00 C ATOM 1520 CG GLU A 97 -3.790 -2.934 18.152 1.00 0.00 C ATOM 1521 CD GLU A 97 -4.517 -1.603 18.125 1.00 0.00 C ATOM 1522 OE1 GLU A 97 -5.558 -1.508 17.443 1.00 0.00 O ATOM 1523 OE2 GLU A 97 -4.043 -0.655 18.787 1.00 0.00 O ATOM 0 H GLU A 97 -2.069 -4.407 14.877 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.266 -5.406 17.292 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.139 -3.109 16.802 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.652 -2.673 16.032 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.479 -3.713 18.478 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.987 -2.890 18.888 1.00 0.00 H new ATOM 1530 N ALA A 98 -5.129 -4.795 14.673 1.00 0.00 N ATOM 1531 CA ALA A 98 -6.472 -4.949 14.123 1.00 0.00 C ATOM 1532 C ALA A 98 -6.490 -5.936 12.957 1.00 0.00 C ATOM 1533 O ALA A 98 -6.219 -5.563 11.816 1.00 0.00 O ATOM 1534 CB ALA A 98 -7.013 -3.598 13.680 1.00 0.00 C ATOM 0 H ALA A 98 -4.417 -4.545 13.987 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.112 -5.352 14.908 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.016 -3.724 13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.052 -2.923 14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.360 -3.177 12.916 1.00 0.00 H new ATOM 1540 N PRO A 99 -6.814 -7.213 13.228 1.00 0.00 N ATOM 1541 CA PRO A 99 -6.870 -8.249 12.193 1.00 0.00 C ATOM 1542 C PRO A 99 -8.130 -8.144 11.339 1.00 0.00 C ATOM 1543 O PRO A 99 -9.233 -7.980 11.862 1.00 0.00 O ATOM 1544 CB PRO A 99 -6.877 -9.544 13.001 1.00 0.00 C ATOM 1545 CG PRO A 99 -7.537 -9.179 14.285 1.00 0.00 C ATOM 1546 CD PRO A 99 -7.155 -7.748 14.562 1.00 0.00 C ATOM 0 HA PRO A 99 -6.043 -8.173 11.487 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -7.424 -10.332 12.483 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -5.865 -9.914 13.166 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.619 -9.286 14.210 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.207 -9.833 15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.977 -7.195 15.017 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.310 -7.684 15.247 1.00 0.00 H new ATOM 1554 N GLY A 100 -7.961 -8.241 10.025 1.00 0.00 N ATOM 1555 CA GLY A 100 -9.095 -8.154 9.122 1.00 0.00 C ATOM 1556 C GLY A 100 -9.855 -6.850 9.269 1.00 0.00 C ATOM 1557 O GLY A 100 -11.060 -6.851 9.524 1.00 0.00 O ATOM 0 H GLY A 100 -7.059 -8.378 9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.746 -8.253 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.771 -8.988 9.311 1.00 0.00 H new ATOM 1561 N SER A 101 -9.150 -5.735 9.114 1.00 0.00 N ATOM 1562 CA SER A 101 -9.763 -4.417 9.235 1.00 0.00 C ATOM 1563 C SER A 101 -10.043 -3.809 7.863 1.00 0.00 C ATOM 1564 O SER A 101 -10.028 -4.508 6.848 1.00 0.00 O ATOM 1565 CB SER A 101 -8.858 -3.491 10.046 1.00 0.00 C ATOM 1566 OG SER A 101 -8.147 -4.209 11.038 1.00 0.00 O ATOM 0 H SER A 101 -8.152 -5.717 8.904 1.00 0.00 H new ATOM 0 HA SER A 101 -10.715 -4.533 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.154 -2.992 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.458 -2.713 10.517 1.00 0.00 H new ATOM 0 HG SER A 101 -7.380 -4.661 10.628 1.00 0.00 H new ATOM 1572 N CYS A 102 -10.304 -2.504 7.839 1.00 0.00 N ATOM 1573 CA CYS A 102 -10.594 -1.803 6.593 1.00 0.00 C ATOM 1574 C CYS A 102 -9.549 -0.727 6.305 1.00 0.00 C ATOM 1575 O CYS A 102 -9.459 0.268 7.015 1.00 0.00 O ATOM 1576 CB CYS A 102 -11.982 -1.177 6.700 1.00 0.00 C ATOM 1577 SG CYS A 102 -13.300 -2.285 6.139 1.00 0.00 S ATOM 0 H CYS A 102 -10.320 -1.911 8.669 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.564 -2.514 5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.169 -0.894 7.736 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.008 -0.261 6.110 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.293 -2.345 4.840 1.00 0.00 H new ATOM 1583 N VAL A 103 -8.773 -0.926 5.242 1.00 0.00 N ATOM 1584 CA VAL A 103 -7.731 0.030 4.869 1.00 0.00 C ATOM 1585 C VAL A 103 -8.090 0.800 3.608 1.00 0.00 C ATOM 1586 O VAL A 103 -8.788 0.293 2.733 1.00 0.00 O ATOM 1587 CB VAL A 103 -6.373 -0.682 4.652 1.00 0.00 C ATOM 1588 CG1 VAL A 103 -5.392 0.205 3.884 1.00 0.00 C ATOM 1589 CG2 VAL A 103 -5.779 -1.109 5.986 1.00 0.00 C ATOM 0 H VAL A 103 -8.844 -1.736 4.626 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.648 0.734 5.697 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.555 -1.572 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.450 -0.326 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.812 0.452 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.215 1.122 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.825 -1.608 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.623 -0.231 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.463 -1.795 6.486 1.00 0.00 H new ATOM 1599 N ALA A 104 -7.577 2.025 3.518 1.00 0.00 N ATOM 1600 CA ALA A 104 -7.813 2.870 2.349 1.00 0.00 C ATOM 1601 C ALA A 104 -6.480 3.287 1.729 1.00 0.00 C ATOM 1602 O ALA A 104 -5.505 3.522 2.438 1.00 0.00 O ATOM 1603 CB ALA A 104 -8.662 4.079 2.721 1.00 0.00 C ATOM 0 H ALA A 104 -6.996 2.454 4.239 1.00 0.00 H new ATOM 0 HA ALA A 104 -8.369 2.300 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.826 4.695 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.622 3.743 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.146 4.666 3.481 1.00 0.00 H new ATOM 1609 N VAL A 105 -6.431 3.334 0.401 1.00 0.00 N ATOM 1610 CA VAL A 105 -5.197 3.675 -0.308 1.00 0.00 C ATOM 1611 C VAL A 105 -5.458 4.574 -1.518 1.00 0.00 C ATOM 1612 O VAL A 105 -6.600 4.734 -1.951 1.00 0.00 O ATOM 1613 CB VAL A 105 -4.475 2.391 -0.778 1.00 0.00 C ATOM 1614 CG1 VAL A 105 -3.057 2.691 -1.238 1.00 0.00 C ATOM 1615 CG2 VAL A 105 -4.472 1.348 0.331 1.00 0.00 C ATOM 0 H VAL A 105 -7.228 3.141 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.568 4.222 0.394 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.022 1.990 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.577 1.768 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.085 3.396 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.491 3.124 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.960 0.450 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.955 1.747 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.499 1.100 0.600 1.00 0.00 H new ATOM 1625 N HIS A 106 -4.388 5.155 -2.063 1.00 0.00 N ATOM 1626 CA HIS A 106 -4.488 6.034 -3.229 1.00 0.00 C ATOM 1627 C HIS A 106 -4.927 5.239 -4.462 1.00 0.00 C ATOM 1628 O HIS A 106 -4.763 4.022 -4.517 1.00 0.00 O ATOM 1629 CB HIS A 106 -3.146 6.733 -3.493 1.00 0.00 C ATOM 1630 CG HIS A 106 -2.969 7.195 -4.910 1.00 0.00 C ATOM 1631 ND1 HIS A 106 -2.764 6.494 -6.050 1.00 0.00 N flip ATOM 1632 CD2 HIS A 106 -3.007 8.520 -5.283 1.00 0.00 C flip ATOM 1633 CE1 HIS A 106 -2.687 7.398 -7.080 1.00 0.00 C flip ATOM 1634 NE2 HIS A 106 -2.837 8.616 -6.589 1.00 0.00 N flip ATOM 0 H HIS A 106 -3.438 5.032 -1.713 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.239 6.796 -3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.058 7.592 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -2.336 6.049 -3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -3.153 9.353 -4.611 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.530 7.154 -8.120 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -2.824 9.482 -7.127 1.00 0.00 H new ATOM 1642 N CYS A 107 -5.522 5.935 -5.429 1.00 0.00 N ATOM 1643 CA CYS A 107 -6.032 5.296 -6.641 1.00 0.00 C ATOM 1644 C CYS A 107 -4.914 4.759 -7.532 1.00 0.00 C ATOM 1645 O CYS A 107 -4.216 5.515 -8.209 1.00 0.00 O ATOM 1646 CB CYS A 107 -6.888 6.285 -7.432 1.00 0.00 C ATOM 1647 SG CYS A 107 -7.726 5.559 -8.860 1.00 0.00 S ATOM 0 H CYS A 107 -5.663 6.945 -5.396 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.637 4.446 -6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.636 6.716 -6.766 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.255 7.104 -7.773 1.00 0.00 H new ATOM 0 HG CYS A 107 -8.251 6.504 -9.582 1.00 0.00 H new ATOM 1653 N VAL A 108 -4.773 3.434 -7.525 1.00 0.00 N ATOM 1654 CA VAL A 108 -3.769 2.741 -8.330 1.00 0.00 C ATOM 1655 C VAL A 108 -4.156 2.685 -9.810 1.00 0.00 C ATOM 1656 O VAL A 108 -3.429 2.111 -10.620 1.00 0.00 O ATOM 1657 CB VAL A 108 -3.539 1.303 -7.828 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -2.947 1.310 -6.428 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.836 0.507 -7.866 1.00 0.00 C ATOM 0 H VAL A 108 -5.352 2.811 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.850 3.318 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.825 0.818 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.793 0.284 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.992 1.836 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.631 1.815 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.652 -0.506 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.577 0.989 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.209 0.467 -8.890 1.00 0.00 H new ATOM 1669 N ALA A 109 -5.310 3.256 -10.162 1.00 0.00 N ATOM 1670 CA ALA A 109 -5.778 3.230 -11.547 1.00 0.00 C ATOM 1671 C ALA A 109 -4.802 3.926 -12.496 1.00 0.00 C ATOM 1672 O ALA A 109 -4.943 3.840 -13.716 1.00 0.00 O ATOM 1673 CB ALA A 109 -7.153 3.873 -11.646 1.00 0.00 C ATOM 0 H ALA A 109 -5.932 3.738 -9.513 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.842 2.185 -11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.492 3.849 -12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.857 3.324 -11.020 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.096 4.907 -11.307 1.00 0.00 H new ATOM 1679 N GLY A 110 -3.797 4.591 -11.935 1.00 0.00 N ATOM 1680 CA GLY A 110 -2.802 5.259 -12.747 1.00 0.00 C ATOM 1681 C GLY A 110 -1.408 4.784 -12.395 1.00 0.00 C ATOM 1682 O GLY A 110 -1.169 3.581 -12.287 1.00 0.00 O ATOM 0 H GLY A 110 -3.656 4.678 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.000 5.068 -13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.871 6.337 -12.600 1.00 0.00 H new ATOM 1686 N LEU A 111 -0.496 5.724 -12.186 1.00 0.00 N ATOM 1687 CA LEU A 111 0.871 5.388 -11.810 1.00 0.00 C ATOM 1688 C LEU A 111 1.232 6.101 -10.513 1.00 0.00 C ATOM 1689 O LEU A 111 1.065 7.315 -10.399 1.00 0.00 O ATOM 1690 CB LEU A 111 1.856 5.775 -12.919 1.00 0.00 C ATOM 1691 CG LEU A 111 1.814 4.901 -14.180 1.00 0.00 C ATOM 1692 CD1 LEU A 111 3.057 5.130 -15.027 1.00 0.00 C ATOM 1693 CD2 LEU A 111 1.691 3.427 -13.819 1.00 0.00 C ATOM 0 H LEU A 111 -0.678 6.724 -12.270 1.00 0.00 H new ATOM 0 HA LEU A 111 0.938 4.310 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.662 6.808 -13.208 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.866 5.743 -12.510 1.00 0.00 H new ATOM 0 HG LEU A 111 0.935 5.187 -14.758 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.011 4.503 -15.917 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.107 6.178 -15.324 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.944 4.874 -14.448 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.663 2.830 -14.731 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.548 3.128 -13.215 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.774 3.266 -13.252 1.00 0.00 H new ATOM 1705 N GLY A 112 1.714 5.345 -9.531 1.00 0.00 N ATOM 1706 CA GLY A 112 2.069 5.943 -8.260 1.00 0.00 C ATOM 1707 C GLY A 112 2.948 5.054 -7.403 1.00 0.00 C ATOM 1708 O GLY A 112 3.724 4.247 -7.917 1.00 0.00 O ATOM 0 H GLY A 112 1.864 4.338 -9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.585 6.886 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.158 6.179 -7.710 1.00 0.00 H new ATOM 1712 N ARG A 113 2.835 5.224 -6.091 1.00 0.00 N ATOM 1713 CA ARG A 113 3.632 4.457 -5.140 1.00 0.00 C ATOM 1714 C ARG A 113 2.747 3.672 -4.154 1.00 0.00 C ATOM 1715 O ARG A 113 3.187 2.690 -3.542 1.00 0.00 O ATOM 1716 CB ARG A 113 4.559 5.414 -4.384 1.00 0.00 C ATOM 1717 CG ARG A 113 5.301 6.400 -5.290 1.00 0.00 C ATOM 1718 CD ARG A 113 4.442 7.610 -5.667 1.00 0.00 C ATOM 1719 NE ARG A 113 4.900 8.840 -5.008 1.00 0.00 N ATOM 1720 CZ ARG A 113 4.344 10.047 -5.182 1.00 0.00 C ATOM 1721 NH1 ARG A 113 3.321 10.217 -6.008 1.00 0.00 N ATOM 1722 NH2 ARG A 113 4.817 11.097 -4.525 1.00 0.00 N ATOM 0 H ARG A 113 2.195 5.891 -5.659 1.00 0.00 H new ATOM 0 HA ARG A 113 4.222 3.724 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.972 5.975 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 113 5.289 4.830 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 113 6.204 6.743 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.618 5.887 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 113 4.466 7.748 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 113 3.405 7.417 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 113 5.696 8.771 -4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.944 9.422 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.911 11.143 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 113 5.605 10.987 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.393 12.015 -4.658 1.00 0.00 H new ATOM 1736 N ALA A 114 1.499 4.114 -4.003 1.00 0.00 N ATOM 1737 CA ALA A 114 0.550 3.472 -3.096 1.00 0.00 C ATOM 1738 C ALA A 114 0.446 1.958 -3.315 1.00 0.00 C ATOM 1739 O ALA A 114 0.441 1.193 -2.351 1.00 0.00 O ATOM 1740 CB ALA A 114 -0.821 4.117 -3.240 1.00 0.00 C ATOM 0 H ALA A 114 1.120 4.920 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 114 0.927 3.619 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.524 3.634 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -0.752 5.177 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.171 4.003 -4.266 1.00 0.00 H new ATOM 1746 N PRO A 115 0.325 1.495 -4.577 1.00 0.00 N ATOM 1747 CA PRO A 115 0.184 0.066 -4.875 1.00 0.00 C ATOM 1748 C PRO A 115 1.268 -0.789 -4.222 1.00 0.00 C ATOM 1749 O PRO A 115 0.960 -1.797 -3.581 1.00 0.00 O ATOM 1750 CB PRO A 115 0.295 -0.010 -6.407 1.00 0.00 C ATOM 1751 CG PRO A 115 0.706 1.354 -6.860 1.00 0.00 C ATOM 1752 CD PRO A 115 0.260 2.311 -5.794 1.00 0.00 C ATOM 0 HA PRO A 115 -0.755 -0.325 -4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.028 -0.758 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -0.657 -0.299 -6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 115 1.786 1.407 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 115 0.247 1.599 -7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 115 0.913 3.181 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.748 2.682 -5.979 1.00 0.00 H new ATOM 1760 N VAL A 116 2.532 -0.393 -4.360 1.00 0.00 N ATOM 1761 CA VAL A 116 3.616 -1.154 -3.745 1.00 0.00 C ATOM 1762 C VAL A 116 3.419 -1.199 -2.239 1.00 0.00 C ATOM 1763 O VAL A 116 3.628 -2.230 -1.600 1.00 0.00 O ATOM 1764 CB VAL A 116 5.008 -0.561 -4.042 1.00 0.00 C ATOM 1765 CG1 VAL A 116 6.101 -1.483 -3.518 1.00 0.00 C ATOM 1766 CG2 VAL A 116 5.194 -0.318 -5.528 1.00 0.00 C ATOM 0 H VAL A 116 2.827 0.433 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 116 3.581 -2.155 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 116 5.080 0.399 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.077 -1.050 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.990 -1.604 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.019 -2.456 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.184 0.100 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.096 -1.261 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.436 0.381 -5.880 1.00 0.00 H new ATOM 1776 N LEU A 117 3.012 -0.064 -1.679 1.00 0.00 N ATOM 1777 CA LEU A 117 2.780 0.038 -0.244 1.00 0.00 C ATOM 1778 C LEU A 117 1.699 -0.940 0.221 1.00 0.00 C ATOM 1779 O LEU A 117 1.858 -1.615 1.240 1.00 0.00 O ATOM 1780 CB LEU A 117 2.385 1.474 0.117 1.00 0.00 C ATOM 1781 CG LEU A 117 3.413 2.548 -0.256 1.00 0.00 C ATOM 1782 CD1 LEU A 117 3.145 3.829 0.515 1.00 0.00 C ATOM 1783 CD2 LEU A 117 4.831 2.059 0.008 1.00 0.00 C ATOM 0 H LEU A 117 2.836 0.797 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 117 3.706 -0.224 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.442 1.709 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 117 2.204 1.525 1.191 1.00 0.00 H new ATOM 0 HG LEU A 117 3.316 2.754 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.884 4.581 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.147 4.196 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.212 3.631 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.542 2.839 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.943 1.820 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.025 1.167 -0.588 1.00 0.00 H new ATOM 1795 N VAL A 118 0.596 -1.008 -0.521 1.00 0.00 N ATOM 1796 CA VAL A 118 -0.509 -1.897 -0.169 1.00 0.00 C ATOM 1797 C VAL A 118 -0.061 -3.351 -0.070 1.00 0.00 C ATOM 1798 O VAL A 118 -0.269 -4.002 0.955 1.00 0.00 O ATOM 1799 CB VAL A 118 -1.658 -1.797 -1.187 1.00 0.00 C ATOM 1800 CG1 VAL A 118 -2.850 -2.625 -0.733 1.00 0.00 C ATOM 1801 CG2 VAL A 118 -2.056 -0.347 -1.385 1.00 0.00 C ATOM 0 H VAL A 118 0.444 -0.460 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.863 -1.570 0.809 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.314 -2.196 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.652 -2.541 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.553 -3.669 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -3.201 -2.259 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.870 -0.289 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.384 0.073 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.201 0.218 -1.756 1.00 0.00 H new ATOM 1811 N ALA A 119 0.548 -3.862 -1.134 1.00 0.00 N ATOM 1812 CA ALA A 119 1.014 -5.245 -1.150 1.00 0.00 C ATOM 1813 C ALA A 119 1.895 -5.538 0.062 1.00 0.00 C ATOM 1814 O ALA A 119 1.670 -6.503 0.800 1.00 0.00 O ATOM 1815 CB ALA A 119 1.772 -5.529 -2.439 1.00 0.00 C ATOM 0 H ALA A 119 0.730 -3.343 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 119 0.144 -5.900 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.115 -6.564 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.114 -5.365 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.631 -4.862 -2.510 1.00 0.00 H new ATOM 1821 N LEU A 120 2.894 -4.690 0.262 1.00 0.00 N ATOM 1822 CA LEU A 120 3.814 -4.838 1.380 1.00 0.00 C ATOM 1823 C LEU A 120 3.064 -4.890 2.707 1.00 0.00 C ATOM 1824 O LEU A 120 3.505 -5.539 3.652 1.00 0.00 O ATOM 1825 CB LEU A 120 4.825 -3.698 1.374 1.00 0.00 C ATOM 1826 CG LEU A 120 5.583 -3.538 0.058 1.00 0.00 C ATOM 1827 CD1 LEU A 120 5.980 -2.091 -0.148 1.00 0.00 C ATOM 1828 CD2 LEU A 120 6.809 -4.439 0.036 1.00 0.00 C ATOM 0 H LEU A 120 3.088 -3.889 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 120 4.347 -5.782 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.305 -2.766 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.544 -3.861 2.177 1.00 0.00 H new ATOM 0 HG LEU A 120 4.926 -3.835 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.519 -1.992 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.086 -1.469 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.621 -1.769 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.337 -4.312 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.471 -4.173 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.499 -5.479 0.141 1.00 0.00 H new ATOM 1840 N ALA A 121 1.924 -4.214 2.774 1.00 0.00 N ATOM 1841 CA ALA A 121 1.123 -4.215 3.990 1.00 0.00 C ATOM 1842 C ALA A 121 0.458 -5.572 4.179 1.00 0.00 C ATOM 1843 O ALA A 121 0.391 -6.094 5.292 1.00 0.00 O ATOM 1844 CB ALA A 121 0.080 -3.111 3.947 1.00 0.00 C ATOM 0 H ALA A 121 1.536 -3.663 2.008 1.00 0.00 H new ATOM 0 HA ALA A 121 1.781 -4.027 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.507 -3.130 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.576 -2.145 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.578 -3.265 3.092 1.00 0.00 H new ATOM 1850 N LEU A 122 -0.017 -6.147 3.079 1.00 0.00 N ATOM 1851 CA LEU A 122 -0.660 -7.454 3.117 1.00 0.00 C ATOM 1852 C LEU A 122 0.373 -8.549 3.379 1.00 0.00 C ATOM 1853 O LEU A 122 0.024 -9.682 3.712 1.00 0.00 O ATOM 1854 CB LEU A 122 -1.398 -7.720 1.801 1.00 0.00 C ATOM 1855 CG LEU A 122 -2.572 -8.705 1.883 1.00 0.00 C ATOM 1856 CD1 LEU A 122 -3.404 -8.463 3.134 1.00 0.00 C ATOM 1857 CD2 LEU A 122 -3.442 -8.593 0.640 1.00 0.00 C ATOM 0 H LEU A 122 0.032 -5.728 2.150 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.385 -7.462 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.771 -6.771 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.680 -8.099 1.073 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.164 -9.714 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.229 -9.175 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.779 -8.592 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.801 -7.448 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.271 -9.297 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.833 -7.579 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.846 -8.823 -0.243 1.00 0.00 H new ATOM 1869 N ILE A 123 1.650 -8.198 3.229 1.00 0.00 N ATOM 1870 CA ILE A 123 2.743 -9.137 3.452 1.00 0.00 C ATOM 1871 C ILE A 123 2.681 -9.711 4.869 1.00 0.00 C ATOM 1872 O ILE A 123 3.082 -10.852 5.105 1.00 0.00 O ATOM 1873 CB ILE A 123 4.108 -8.439 3.188 1.00 0.00 C ATOM 1874 CG1 ILE A 123 4.347 -8.363 1.670 1.00 0.00 C ATOM 1875 CG2 ILE A 123 5.276 -9.126 3.908 1.00 0.00 C ATOM 1876 CD1 ILE A 123 5.792 -8.148 1.265 1.00 0.00 C ATOM 0 H ILE A 123 1.952 -7.264 2.952 1.00 0.00 H new ATOM 0 HA ILE A 123 2.642 -9.968 2.753 1.00 0.00 H new ATOM 0 HB ILE A 123 4.062 -7.432 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.990 -9.286 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.745 -7.551 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.202 -8.596 3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 123 5.098 -9.114 4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.358 -10.158 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.863 -8.108 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.153 -7.210 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.401 -8.972 1.638 1.00 0.00 H new ATOM 1888 N GLU A 124 2.173 -8.921 5.804 1.00 0.00 N ATOM 1889 CA GLU A 124 2.055 -9.352 7.193 1.00 0.00 C ATOM 1890 C GLU A 124 0.989 -10.442 7.371 1.00 0.00 C ATOM 1891 O GLU A 124 0.944 -11.107 8.405 1.00 0.00 O ATOM 1892 CB GLU A 124 1.745 -8.153 8.100 1.00 0.00 C ATOM 1893 CG GLU A 124 0.290 -7.702 8.070 1.00 0.00 C ATOM 1894 CD GLU A 124 -0.587 -8.502 9.013 1.00 0.00 C ATOM 1895 OE1 GLU A 124 -0.427 -8.352 10.243 1.00 0.00 O ATOM 1896 OE2 GLU A 124 -1.433 -9.277 8.521 1.00 0.00 O ATOM 0 H GLU A 124 1.835 -7.975 5.627 1.00 0.00 H new ATOM 0 HA GLU A 124 3.014 -9.783 7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.012 -8.409 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.378 -7.316 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.235 -6.646 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.095 -7.795 7.054 1.00 0.00 H new ATOM 1903 N SER A 125 0.111 -10.598 6.378 1.00 0.00 N ATOM 1904 CA SER A 125 -0.972 -11.581 6.461 1.00 0.00 C ATOM 1905 C SER A 125 -0.511 -13.009 6.150 1.00 0.00 C ATOM 1906 O SER A 125 -1.149 -13.971 6.576 1.00 0.00 O ATOM 1907 CB SER A 125 -2.100 -11.192 5.507 1.00 0.00 C ATOM 1908 OG SER A 125 -1.720 -11.403 4.157 1.00 0.00 O ATOM 0 H SER A 125 0.128 -10.060 5.512 1.00 0.00 H new ATOM 0 HA SER A 125 -1.324 -11.574 7.493 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.991 -11.778 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.361 -10.144 5.655 1.00 0.00 H new ATOM 0 HG SER A 125 -0.766 -11.204 4.051 1.00 0.00 H new ATOM 1914 N GLY A 126 0.586 -13.154 5.412 1.00 0.00 N ATOM 1915 CA GLY A 126 1.073 -14.486 5.078 1.00 0.00 C ATOM 1916 C GLY A 126 1.790 -14.532 3.742 1.00 0.00 C ATOM 1917 O GLY A 126 2.974 -14.210 3.663 1.00 0.00 O ATOM 0 H GLY A 126 1.143 -12.384 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.751 -14.827 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.233 -15.181 5.059 1.00 0.00 H new ATOM 1921 N MET A 127 1.069 -14.925 2.688 1.00 0.00 N ATOM 1922 CA MET A 127 1.653 -14.992 1.347 1.00 0.00 C ATOM 1923 C MET A 127 2.049 -13.590 0.909 1.00 0.00 C ATOM 1924 O MET A 127 1.380 -12.966 0.095 1.00 0.00 O ATOM 1925 CB MET A 127 0.666 -15.610 0.348 1.00 0.00 C ATOM 1926 CG MET A 127 -0.767 -15.113 0.491 1.00 0.00 C ATOM 1927 SD MET A 127 -1.764 -15.464 -0.974 1.00 0.00 S ATOM 1928 CE MET A 127 -2.954 -14.123 -0.932 1.00 0.00 C ATOM 0 H MET A 127 0.088 -15.199 2.737 1.00 0.00 H new ATOM 0 HA MET A 127 2.536 -15.630 1.373 1.00 0.00 H new ATOM 0 HB2 MET A 127 1.012 -15.399 -0.664 1.00 0.00 H new ATOM 0 HB3 MET A 127 0.676 -16.693 0.469 1.00 0.00 H new ATOM 0 HG2 MET A 127 -1.227 -15.582 1.361 1.00 0.00 H new ATOM 0 HG3 MET A 127 -0.760 -14.039 0.674 1.00 0.00 H new ATOM 0 HE1 MET A 127 -3.963 -14.533 -0.895 1.00 0.00 H new ATOM 0 HE2 MET A 127 -2.779 -13.509 -0.049 1.00 0.00 H new ATOM 0 HE3 MET A 127 -2.844 -13.511 -1.827 1.00 0.00 H new ATOM 1938 N LYS A 128 3.111 -13.091 1.516 1.00 0.00 N ATOM 1939 CA LYS A 128 3.588 -11.735 1.271 1.00 0.00 C ATOM 1940 C LYS A 128 4.073 -11.475 -0.153 1.00 0.00 C ATOM 1941 O LYS A 128 3.468 -10.691 -0.884 1.00 0.00 O ATOM 1942 CB LYS A 128 4.709 -11.414 2.258 1.00 0.00 C ATOM 1943 CG LYS A 128 5.690 -12.556 2.494 1.00 0.00 C ATOM 1944 CD LYS A 128 5.686 -13.005 3.947 1.00 0.00 C ATOM 1945 CE LYS A 128 6.168 -14.440 4.090 1.00 0.00 C ATOM 1946 NZ LYS A 128 7.031 -14.618 5.289 1.00 0.00 N ATOM 0 H LYS A 128 3.669 -13.611 2.193 1.00 0.00 H new ATOM 0 HA LYS A 128 2.727 -11.082 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 128 5.261 -10.548 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 128 4.265 -11.130 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.431 -13.398 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.694 -12.238 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.325 -12.346 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.678 -12.917 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 128 5.308 -15.107 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.723 -14.727 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 7.339 -15.609 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.864 -14.001 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 6.494 -14.368 6.144 1.00 0.00 H new ATOM 1960 N TYR A 129 5.175 -12.099 -0.537 1.00 0.00 N ATOM 1961 CA TYR A 129 5.739 -11.889 -1.862 1.00 0.00 C ATOM 1962 C TYR A 129 4.827 -12.460 -2.942 1.00 0.00 C ATOM 1963 O TYR A 129 4.741 -11.924 -4.049 1.00 0.00 O ATOM 1964 CB TYR A 129 7.135 -12.517 -1.924 1.00 0.00 C ATOM 1965 CG TYR A 129 7.937 -12.153 -3.156 1.00 0.00 C ATOM 1966 CD1 TYR A 129 7.827 -10.896 -3.739 1.00 0.00 C ATOM 1967 CD2 TYR A 129 8.813 -13.066 -3.731 1.00 0.00 C ATOM 1968 CE1 TYR A 129 8.566 -10.564 -4.860 1.00 0.00 C ATOM 1969 CE2 TYR A 129 9.554 -12.739 -4.850 1.00 0.00 C ATOM 1970 CZ TYR A 129 9.426 -11.488 -5.411 1.00 0.00 C ATOM 1971 OH TYR A 129 10.163 -11.158 -6.525 1.00 0.00 O ATOM 0 H TYR A 129 5.696 -12.753 0.047 1.00 0.00 H new ATOM 0 HA TYR A 129 5.825 -10.818 -2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.695 -12.213 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.033 -13.601 -1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 129 7.154 -10.168 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.916 -14.049 -3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 129 8.469 -9.583 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 129 10.231 -13.461 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 129 10.720 -11.921 -6.786 1.00 0.00 H new ATOM 1981 N GLU A 130 4.138 -13.542 -2.607 1.00 0.00 N ATOM 1982 CA GLU A 130 3.220 -14.186 -3.540 1.00 0.00 C ATOM 1983 C GLU A 130 1.957 -13.351 -3.742 1.00 0.00 C ATOM 1984 O GLU A 130 1.571 -13.063 -4.875 1.00 0.00 O ATOM 1985 CB GLU A 130 2.850 -15.584 -3.041 1.00 0.00 C ATOM 1986 CG GLU A 130 4.052 -16.474 -2.774 1.00 0.00 C ATOM 1987 CD GLU A 130 4.360 -16.612 -1.296 1.00 0.00 C ATOM 1988 OE1 GLU A 130 4.123 -15.641 -0.547 1.00 0.00 O ATOM 1989 OE2 GLU A 130 4.840 -17.691 -0.887 1.00 0.00 O ATOM 0 H GLU A 130 4.197 -13.994 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 130 3.727 -14.272 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 130 2.267 -15.491 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 130 2.209 -16.066 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 130 3.869 -17.462 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 130 4.923 -16.065 -3.286 1.00 0.00 H new ATOM 1996 N ASP A 131 1.312 -12.968 -2.642 1.00 0.00 N ATOM 1997 CA ASP A 131 0.091 -12.170 -2.718 1.00 0.00 C ATOM 1998 C ASP A 131 0.380 -10.782 -3.259 1.00 0.00 C ATOM 1999 O ASP A 131 -0.393 -10.236 -4.035 1.00 0.00 O ATOM 2000 CB ASP A 131 -0.570 -12.048 -1.347 1.00 0.00 C ATOM 2001 CG ASP A 131 -1.919 -11.361 -1.412 1.00 0.00 C ATOM 2002 OD1 ASP A 131 -2.516 -11.329 -2.508 1.00 0.00 O ATOM 2003 OD2 ASP A 131 -2.379 -10.859 -0.366 1.00 0.00 O ATOM 0 H ASP A 131 1.612 -13.195 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 131 -0.589 -12.683 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.692 -13.042 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.086 -11.490 -0.679 1.00 0.00 H new ATOM 2008 N ALA A 132 1.493 -10.204 -2.839 1.00 0.00 N ATOM 2009 CA ALA A 132 1.856 -8.874 -3.291 1.00 0.00 C ATOM 2010 C ALA A 132 2.002 -8.828 -4.805 1.00 0.00 C ATOM 2011 O ALA A 132 1.436 -7.961 -5.458 1.00 0.00 O ATOM 2012 CB ALA A 132 3.135 -8.412 -2.615 1.00 0.00 C ATOM 0 H ALA A 132 2.155 -10.631 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 132 1.052 -8.193 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.392 -7.413 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 132 2.989 -8.391 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.944 -9.101 -2.858 1.00 0.00 H new ATOM 2018 N ILE A 133 2.762 -9.763 -5.361 1.00 0.00 N ATOM 2019 CA ILE A 133 2.967 -9.801 -6.803 1.00 0.00 C ATOM 2020 C ILE A 133 1.723 -10.308 -7.537 1.00 0.00 C ATOM 2021 O ILE A 133 1.412 -9.846 -8.634 1.00 0.00 O ATOM 2022 CB ILE A 133 4.177 -10.685 -7.174 1.00 0.00 C ATOM 2023 CG1 ILE A 133 5.426 -10.211 -6.428 1.00 0.00 C ATOM 2024 CG2 ILE A 133 4.414 -10.663 -8.678 1.00 0.00 C ATOM 2025 CD1 ILE A 133 5.885 -8.828 -6.836 1.00 0.00 C ATOM 0 H ILE A 133 3.242 -10.498 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 133 3.165 -8.776 -7.118 1.00 0.00 H new ATOM 0 HB ILE A 133 3.962 -11.711 -6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 133 5.224 -10.217 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 133 6.235 -10.920 -6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 133 5.271 -11.292 -8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.530 -11.041 -9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 133 4.611 -9.641 -9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.774 -8.557 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.119 -8.822 -7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 133 5.092 -8.107 -6.635 1.00 0.00 H new ATOM 2037 N GLN A 134 1.020 -11.265 -6.936 1.00 0.00 N ATOM 2038 CA GLN A 134 -0.176 -11.837 -7.556 1.00 0.00 C ATOM 2039 C GLN A 134 -1.373 -10.885 -7.497 1.00 0.00 C ATOM 2040 O GLN A 134 -2.038 -10.652 -8.509 1.00 0.00 O ATOM 2041 CB GLN A 134 -0.537 -13.159 -6.875 1.00 0.00 C ATOM 2042 CG GLN A 134 -1.527 -13.999 -7.665 1.00 0.00 C ATOM 2043 CD GLN A 134 -1.035 -15.413 -7.903 1.00 0.00 C ATOM 2044 OE1 GLN A 134 -0.393 -15.698 -8.914 1.00 0.00 O ATOM 2045 NE2 GLN A 134 -1.334 -16.309 -6.969 1.00 0.00 N ATOM 0 H GLN A 134 1.255 -11.660 -6.025 1.00 0.00 H new ATOM 0 HA GLN A 134 0.057 -12.010 -8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 134 0.373 -13.737 -6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -0.956 -12.949 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.476 -14.034 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -1.720 -13.519 -8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -1.868 -16.029 -6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -1.029 -17.277 -7.074 1.00 0.00 H new ATOM 2054 N PHE A 135 -1.652 -10.343 -6.315 1.00 0.00 N ATOM 2055 CA PHE A 135 -2.781 -9.431 -6.144 1.00 0.00 C ATOM 2056 C PHE A 135 -2.510 -8.099 -6.834 1.00 0.00 C ATOM 2057 O PHE A 135 -3.415 -7.495 -7.408 1.00 0.00 O ATOM 2058 CB PHE A 135 -3.078 -9.213 -4.650 1.00 0.00 C ATOM 2059 CG PHE A 135 -4.462 -9.624 -4.207 1.00 0.00 C ATOM 2060 CD1 PHE A 135 -5.215 -10.539 -4.935 1.00 0.00 C ATOM 2061 CD2 PHE A 135 -5.008 -9.093 -3.049 1.00 0.00 C ATOM 2062 CE1 PHE A 135 -6.480 -10.907 -4.514 1.00 0.00 C ATOM 2063 CE2 PHE A 135 -6.271 -9.458 -2.627 1.00 0.00 C ATOM 2064 CZ PHE A 135 -7.008 -10.364 -3.360 1.00 0.00 C ATOM 0 H PHE A 135 -1.116 -10.517 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 135 -3.657 -9.884 -6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -2.346 -9.769 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -2.937 -8.157 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -4.807 -10.967 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -4.437 -8.383 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -7.054 -11.619 -5.088 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -6.682 -9.034 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 135 -7.997 -10.648 -3.032 1.00 0.00 H new ATOM 2074 N ILE A 136 -1.261 -7.648 -6.785 1.00 0.00 N ATOM 2075 CA ILE A 136 -0.888 -6.391 -7.419 1.00 0.00 C ATOM 2076 C ILE A 136 -0.827 -6.546 -8.937 1.00 0.00 C ATOM 2077 O ILE A 136 -1.050 -5.588 -9.675 1.00 0.00 O ATOM 2078 CB ILE A 136 0.461 -5.857 -6.886 1.00 0.00 C ATOM 2079 CG1 ILE A 136 0.495 -4.332 -6.965 1.00 0.00 C ATOM 2080 CG2 ILE A 136 1.637 -6.460 -7.647 1.00 0.00 C ATOM 2081 CD1 ILE A 136 1.217 -3.685 -5.804 1.00 0.00 C ATOM 0 H ILE A 136 -0.495 -8.131 -6.316 1.00 0.00 H new ATOM 0 HA ILE A 136 -1.660 -5.663 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 136 0.554 -6.157 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.979 -4.035 -7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.527 -3.955 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.571 -6.064 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 136 1.626 -7.544 -7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 136 1.557 -6.204 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 136 1.203 -2.602 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.720 -3.953 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.249 -4.034 -5.778 1.00 0.00 H new ATOM 2093 N ARG A 137 -0.531 -7.759 -9.399 1.00 0.00 N ATOM 2094 CA ARG A 137 -0.456 -8.031 -10.829 1.00 0.00 C ATOM 2095 C ARG A 137 -1.841 -7.939 -11.461 1.00 0.00 C ATOM 2096 O ARG A 137 -2.023 -7.287 -12.489 1.00 0.00 O ATOM 2097 CB ARG A 137 0.150 -9.415 -11.083 1.00 0.00 C ATOM 2098 CG ARG A 137 0.165 -9.823 -12.549 1.00 0.00 C ATOM 2099 CD ARG A 137 -0.279 -11.266 -12.732 1.00 0.00 C ATOM 2100 NE ARG A 137 0.784 -12.211 -12.399 1.00 0.00 N ATOM 2101 CZ ARG A 137 0.667 -13.532 -12.523 1.00 0.00 C ATOM 2102 NH1 ARG A 137 -0.463 -14.066 -12.971 1.00 0.00 N ATOM 2103 NH2 ARG A 137 1.683 -14.321 -12.197 1.00 0.00 N ATOM 0 H ARG A 137 -0.340 -8.566 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 137 0.189 -7.281 -11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.171 -9.429 -10.702 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -0.412 -10.157 -10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -0.492 -9.165 -13.117 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.170 -9.697 -12.952 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -1.148 -11.461 -12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -0.592 -11.421 -13.765 1.00 0.00 H new ATOM 0 HE ARG A 137 1.667 -11.838 -12.051 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -1.247 -13.464 -13.222 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.547 -15.078 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 137 2.553 -13.916 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.594 -15.333 -12.292 1.00 0.00 H new ATOM 2117 N GLN A 138 -2.819 -8.589 -10.833 1.00 0.00 N ATOM 2118 CA GLN A 138 -4.190 -8.569 -11.333 1.00 0.00 C ATOM 2119 C GLN A 138 -4.718 -7.139 -11.383 1.00 0.00 C ATOM 2120 O GLN A 138 -5.324 -6.721 -12.369 1.00 0.00 O ATOM 2121 CB GLN A 138 -5.090 -9.435 -10.448 1.00 0.00 C ATOM 2122 CG GLN A 138 -5.515 -10.739 -11.103 1.00 0.00 C ATOM 2123 CD GLN A 138 -6.521 -10.531 -12.218 1.00 0.00 C ATOM 2124 OE1 GLN A 138 -7.404 -9.678 -12.121 1.00 0.00 O ATOM 2125 NE2 GLN A 138 -6.393 -11.311 -13.285 1.00 0.00 N ATOM 0 H GLN A 138 -2.687 -9.134 -9.981 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.196 -8.977 -12.344 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -4.565 -9.659 -9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -5.980 -8.865 -10.182 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -4.635 -11.244 -11.502 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -5.946 -11.397 -10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -5.646 -12.005 -13.323 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -7.041 -11.216 -14.067 1.00 0.00 H new ATOM 2134 N LYS A 139 -4.470 -6.392 -10.313 1.00 0.00 N ATOM 2135 CA LYS A 139 -4.904 -5.002 -10.223 1.00 0.00 C ATOM 2136 C LYS A 139 -3.885 -4.085 -10.890 1.00 0.00 C ATOM 2137 O LYS A 139 -2.699 -4.406 -10.943 1.00 0.00 O ATOM 2138 CB LYS A 139 -5.093 -4.600 -8.760 1.00 0.00 C ATOM 2139 CG LYS A 139 -6.516 -4.777 -8.261 1.00 0.00 C ATOM 2140 CD LYS A 139 -7.455 -3.764 -8.893 1.00 0.00 C ATOM 2141 CE LYS A 139 -7.129 -2.348 -8.444 1.00 0.00 C ATOM 2142 NZ LYS A 139 -6.879 -2.272 -6.978 1.00 0.00 N ATOM 0 H LYS A 139 -3.968 -6.728 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 139 -5.858 -4.902 -10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -4.422 -5.194 -8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -4.801 -3.557 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -6.860 -5.786 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.539 -4.670 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -7.384 -3.828 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.484 -4.004 -8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -6.250 -1.991 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -7.954 -1.685 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -6.996 -1.290 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -7.556 -2.883 -6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -5.910 -2.590 -6.774 1.00 0.00 H new ATOM 2156 N ARG A 140 -4.341 -2.949 -11.404 1.00 0.00 N ATOM 2157 CA ARG A 140 -3.438 -2.016 -12.065 1.00 0.00 C ATOM 2158 C ARG A 140 -2.572 -1.289 -11.042 1.00 0.00 C ATOM 2159 O ARG A 140 -3.073 -0.543 -10.202 1.00 0.00 O ATOM 2160 CB ARG A 140 -4.231 -1.002 -12.891 1.00 0.00 C ATOM 2161 CG ARG A 140 -3.558 -0.626 -14.201 1.00 0.00 C ATOM 2162 CD ARG A 140 -2.378 0.308 -13.977 1.00 0.00 C ATOM 2163 NE ARG A 140 -2.656 1.663 -14.446 1.00 0.00 N ATOM 2164 CZ ARG A 140 -2.905 1.970 -15.718 1.00 0.00 C ATOM 2165 NH1 ARG A 140 -2.886 1.027 -16.653 1.00 0.00 N ATOM 2166 NH2 ARG A 140 -3.169 3.224 -16.058 1.00 0.00 N ATOM 0 H ARG A 140 -5.317 -2.655 -11.377 1.00 0.00 H new ATOM 0 HA ARG A 140 -2.789 -2.585 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -5.218 -1.412 -13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.381 -0.100 -12.297 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -3.217 -1.529 -14.708 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.283 -0.146 -14.858 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -2.133 0.335 -12.915 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -1.503 -0.083 -14.496 1.00 0.00 H new ATOM 0 HE ARG A 140 -2.660 2.418 -13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -2.680 0.061 -16.399 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -3.078 1.269 -17.625 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -3.181 3.954 -15.345 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -3.360 3.459 -17.032 1.00 0.00 H new ATOM 2180 N ARG A 141 -1.266 -1.516 -11.127 1.00 0.00 N ATOM 2181 CA ARG A 141 -0.308 -0.891 -10.220 1.00 0.00 C ATOM 2182 C ARG A 141 0.626 0.047 -10.979 1.00 0.00 C ATOM 2183 O ARG A 141 0.741 -0.035 -12.202 1.00 0.00 O ATOM 2184 CB ARG A 141 0.497 -1.964 -9.475 1.00 0.00 C ATOM 2185 CG ARG A 141 1.617 -2.587 -10.296 1.00 0.00 C ATOM 2186 CD ARG A 141 1.073 -3.428 -11.440 1.00 0.00 C ATOM 2187 NE ARG A 141 2.018 -4.463 -11.859 1.00 0.00 N ATOM 2188 CZ ARG A 141 1.969 -5.075 -13.040 1.00 0.00 C ATOM 2189 NH1 ARG A 141 1.026 -4.762 -13.921 1.00 0.00 N ATOM 2190 NH2 ARG A 141 2.866 -6.004 -13.342 1.00 0.00 N ATOM 0 H ARG A 141 -0.843 -2.133 -11.820 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.862 -0.300 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.924 -1.522 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.183 -2.752 -9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 141 2.257 -1.800 -10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.239 -3.208 -9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.137 -3.895 -11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.844 -2.782 -12.288 1.00 0.00 H new ATOM 0 HE ARG A 141 2.757 -4.731 -11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.333 -4.048 -13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.995 -5.235 -14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 141 3.593 -6.249 -12.669 1.00 0.00 H new ATOM 0 HH22 ARG A 141 2.829 -6.473 -14.247 1.00 0.00 H new ATOM 2204 N GLY A 142 1.311 0.926 -10.248 1.00 0.00 N ATOM 2205 CA GLY A 142 2.242 1.843 -10.883 1.00 0.00 C ATOM 2206 C GLY A 142 3.268 1.097 -11.713 1.00 0.00 C ATOM 2207 O GLY A 142 3.196 -0.127 -11.825 1.00 0.00 O ATOM 0 H GLY A 142 1.238 1.018 -9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 142 1.694 2.540 -11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 142 2.748 2.436 -10.122 1.00 0.00 H new ATOM 2211 N ALA A 143 4.225 1.808 -12.300 1.00 0.00 N ATOM 2212 CA ALA A 143 5.233 1.139 -13.110 1.00 0.00 C ATOM 2213 C ALA A 143 6.285 0.478 -12.226 1.00 0.00 C ATOM 2214 O ALA A 143 7.222 1.126 -11.759 1.00 0.00 O ATOM 2215 CB ALA A 143 5.888 2.130 -14.061 1.00 0.00 C ATOM 0 H ALA A 143 4.323 2.821 -12.233 1.00 0.00 H new ATOM 0 HA ALA A 143 4.742 0.362 -13.696 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.640 1.617 -14.661 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.131 2.559 -14.718 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.363 2.925 -13.487 1.00 0.00 H new ATOM 2221 N ILE A 144 6.127 -0.826 -12.019 1.00 0.00 N ATOM 2222 CA ILE A 144 7.061 -1.602 -11.212 1.00 0.00 C ATOM 2223 C ILE A 144 8.198 -2.149 -12.068 1.00 0.00 C ATOM 2224 O ILE A 144 7.982 -3.045 -12.883 1.00 0.00 O ATOM 2225 CB ILE A 144 6.346 -2.769 -10.506 1.00 0.00 C ATOM 2226 CG1 ILE A 144 5.625 -3.653 -11.529 1.00 0.00 C ATOM 2227 CG2 ILE A 144 5.365 -2.233 -9.475 1.00 0.00 C ATOM 2228 CD1 ILE A 144 6.071 -5.098 -11.500 1.00 0.00 C ATOM 0 H ILE A 144 5.354 -1.370 -12.403 1.00 0.00 H new ATOM 0 HA ILE A 144 7.473 -0.931 -10.458 1.00 0.00 H new ATOM 0 HB ILE A 144 7.090 -3.379 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.552 -3.609 -11.343 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.792 -3.250 -12.528 1.00 0.00 H new ATOM 0 HG21 ILE A 144 4.865 -3.066 -8.981 1.00 0.00 H new ATOM 0 HG22 ILE A 144 5.903 -1.642 -8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 144 4.623 -1.606 -9.970 1.00 0.00 H new ATOM 0 HD11 ILE A 144 5.519 -5.664 -12.250 1.00 0.00 H new ATOM 0 HD12 ILE A 144 7.138 -5.154 -11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 144 5.878 -5.519 -10.513 1.00 0.00 H new ATOM 2240 N ASN A 145 9.408 -1.624 -11.895 1.00 0.00 N ATOM 2241 CA ASN A 145 10.535 -2.106 -12.686 1.00 0.00 C ATOM 2242 C ASN A 145 11.574 -2.836 -11.835 1.00 0.00 C ATOM 2243 O ASN A 145 11.654 -4.064 -11.859 1.00 0.00 O ATOM 2244 CB ASN A 145 11.197 -0.938 -13.420 1.00 0.00 C ATOM 2245 CG ASN A 145 10.657 -0.759 -14.826 1.00 0.00 C ATOM 2246 OD1 ASN A 145 11.362 -0.995 -15.807 1.00 0.00 O ATOM 2247 ND2 ASN A 145 9.402 -0.340 -14.930 1.00 0.00 N ATOM 0 H ASN A 145 9.630 -0.883 -11.231 1.00 0.00 H new ATOM 0 HA ASN A 145 10.140 -2.823 -13.406 1.00 0.00 H new ATOM 0 HB2 ASN A 145 11.040 -0.020 -12.854 1.00 0.00 H new ATOM 0 HB3 ASN A 145 12.273 -1.104 -13.465 1.00 0.00 H new ATOM 0 HD21 ASN A 145 8.985 -0.201 -15.851 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.854 -0.157 -14.089 1.00 0.00 H new ATOM 2254 N SER A 146 12.381 -2.076 -11.100 1.00 0.00 N ATOM 2255 CA SER A 146 13.427 -2.660 -10.264 1.00 0.00 C ATOM 2256 C SER A 146 13.037 -2.763 -8.789 1.00 0.00 C ATOM 2257 O SER A 146 13.035 -3.848 -8.208 1.00 0.00 O ATOM 2258 CB SER A 146 14.713 -1.844 -10.396 1.00 0.00 C ATOM 2259 OG SER A 146 14.440 -0.454 -10.381 1.00 0.00 O ATOM 0 H SER A 146 12.332 -1.058 -11.066 1.00 0.00 H new ATOM 0 HA SER A 146 13.580 -3.678 -10.623 1.00 0.00 H new ATOM 0 HB2 SER A 146 15.391 -2.093 -9.579 1.00 0.00 H new ATOM 0 HB3 SER A 146 15.221 -2.108 -11.324 1.00 0.00 H new ATOM 0 HG SER A 146 15.279 0.045 -10.465 1.00 0.00 H new ATOM 2265 N LYS A 147 12.765 -1.611 -8.183 1.00 0.00 N ATOM 2266 CA LYS A 147 12.437 -1.533 -6.760 1.00 0.00 C ATOM 2267 C LYS A 147 11.369 -2.527 -6.315 1.00 0.00 C ATOM 2268 O LYS A 147 11.557 -3.227 -5.331 1.00 0.00 O ATOM 2269 CB LYS A 147 11.990 -0.113 -6.395 1.00 0.00 C ATOM 2270 CG LYS A 147 12.424 0.326 -5.001 1.00 0.00 C ATOM 2271 CD LYS A 147 11.287 0.208 -3.992 1.00 0.00 C ATOM 2272 CE LYS A 147 11.627 0.901 -2.677 1.00 0.00 C ATOM 2273 NZ LYS A 147 10.955 0.255 -1.513 1.00 0.00 N ATOM 0 H LYS A 147 12.765 -0.709 -8.660 1.00 0.00 H new ATOM 0 HA LYS A 147 13.353 -1.797 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 147 12.393 0.585 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 147 10.904 -0.055 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 147 13.266 -0.284 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 147 12.773 1.358 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.381 0.646 -4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 147 11.074 -0.844 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 147 12.707 0.884 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 147 11.329 1.948 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 10.591 0.988 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 10.166 -0.333 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 11.639 -0.342 -1.005 1.00 0.00 H new ATOM 2287 N GLN A 148 10.237 -2.566 -7.002 1.00 0.00 N ATOM 2288 CA GLN A 148 9.144 -3.451 -6.598 1.00 0.00 C ATOM 2289 C GLN A 148 9.555 -4.922 -6.504 1.00 0.00 C ATOM 2290 O GLN A 148 9.293 -5.577 -5.494 1.00 0.00 O ATOM 2291 CB GLN A 148 7.964 -3.315 -7.564 1.00 0.00 C ATOM 2292 CG GLN A 148 6.609 -3.575 -6.918 1.00 0.00 C ATOM 2293 CD GLN A 148 6.629 -4.740 -5.945 1.00 0.00 C ATOM 2294 OE1 GLN A 148 6.507 -4.555 -4.734 1.00 0.00 O ATOM 2295 NE2 GLN A 148 6.784 -5.950 -6.473 1.00 0.00 N ATOM 0 H GLN A 148 10.048 -2.004 -7.832 1.00 0.00 H new ATOM 0 HA GLN A 148 8.854 -3.134 -5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 148 7.967 -2.311 -7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 148 8.101 -4.011 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 148 6.284 -2.676 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 148 5.873 -3.772 -7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 148 6.881 -6.057 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 148 6.805 -6.771 -5.868 1.00 0.00 H new ATOM 2304 N LEU A 149 10.168 -5.449 -7.554 1.00 0.00 N ATOM 2305 CA LEU A 149 10.565 -6.855 -7.566 1.00 0.00 C ATOM 2306 C LEU A 149 11.797 -7.128 -6.706 1.00 0.00 C ATOM 2307 O LEU A 149 11.871 -8.155 -6.032 1.00 0.00 O ATOM 2308 CB LEU A 149 10.805 -7.320 -9.002 1.00 0.00 C ATOM 2309 CG LEU A 149 9.536 -7.440 -9.848 1.00 0.00 C ATOM 2310 CD1 LEU A 149 8.548 -8.397 -9.194 1.00 0.00 C ATOM 2311 CD2 LEU A 149 8.902 -6.072 -10.047 1.00 0.00 C ATOM 0 H LEU A 149 10.401 -4.933 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 149 9.744 -7.424 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 149 11.486 -6.622 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 149 11.304 -8.289 -8.979 1.00 0.00 H new ATOM 0 HG LEU A 149 9.807 -7.841 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 149 7.651 -8.470 -9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 149 9.004 -9.382 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 149 8.280 -8.024 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 149 8.000 -6.173 -10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 149 8.644 -5.646 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.607 -5.415 -10.556 1.00 0.00 H new ATOM 2323 N THR A 150 12.766 -6.222 -6.733 1.00 0.00 N ATOM 2324 CA THR A 150 13.989 -6.399 -5.953 1.00 0.00 C ATOM 2325 C THR A 150 13.746 -6.156 -4.464 1.00 0.00 C ATOM 2326 O THR A 150 14.337 -6.821 -3.612 1.00 0.00 O ATOM 2327 CB THR A 150 15.086 -5.459 -6.464 1.00 0.00 C ATOM 2328 OG1 THR A 150 16.339 -5.800 -5.897 1.00 0.00 O ATOM 2329 CG2 THR A 150 14.826 -4.000 -6.155 1.00 0.00 C ATOM 0 H THR A 150 12.732 -5.363 -7.281 1.00 0.00 H new ATOM 0 HA THR A 150 14.313 -7.432 -6.077 1.00 0.00 H new ATOM 0 HB THR A 150 15.090 -5.586 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 150 17.028 -5.191 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 150 15.643 -3.394 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 150 13.890 -3.691 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 150 14.757 -3.863 -5.076 1.00 0.00 H new ATOM 2337 N TYR A 151 12.882 -5.196 -4.159 1.00 0.00 N ATOM 2338 CA TYR A 151 12.569 -4.853 -2.780 1.00 0.00 C ATOM 2339 C TYR A 151 11.760 -5.959 -2.106 1.00 0.00 C ATOM 2340 O TYR A 151 12.113 -6.416 -1.017 1.00 0.00 O ATOM 2341 CB TYR A 151 11.812 -3.525 -2.763 1.00 0.00 C ATOM 2342 CG TYR A 151 11.046 -3.226 -1.503 1.00 0.00 C ATOM 2343 CD1 TYR A 151 11.457 -3.702 -0.266 1.00 0.00 C ATOM 2344 CD2 TYR A 151 9.902 -2.451 -1.564 1.00 0.00 C ATOM 2345 CE1 TYR A 151 10.741 -3.412 0.876 1.00 0.00 C ATOM 2346 CE2 TYR A 151 9.182 -2.153 -0.434 1.00 0.00 C ATOM 2347 CZ TYR A 151 9.603 -2.637 0.788 1.00 0.00 C ATOM 2348 OH TYR A 151 8.888 -2.346 1.926 1.00 0.00 O ATOM 0 H TYR A 151 12.384 -4.639 -4.853 1.00 0.00 H new ATOM 0 HA TYR A 151 13.495 -4.749 -2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 151 12.526 -2.719 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 151 11.115 -3.515 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 151 12.349 -4.307 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 151 9.569 -2.073 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 151 11.069 -3.789 1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 151 8.292 -1.544 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 151 9.227 -1.516 2.322 1.00 0.00 H new ATOM 2358 N LEU A 152 10.682 -6.398 -2.748 1.00 0.00 N ATOM 2359 CA LEU A 152 9.866 -7.454 -2.171 1.00 0.00 C ATOM 2360 C LEU A 152 10.644 -8.761 -2.138 1.00 0.00 C ATOM 2361 O LEU A 152 10.524 -9.546 -1.193 1.00 0.00 O ATOM 2362 CB LEU A 152 8.549 -7.625 -2.922 1.00 0.00 C ATOM 2363 CG LEU A 152 7.329 -7.744 -2.009 1.00 0.00 C ATOM 2364 CD1 LEU A 152 6.047 -7.827 -2.816 1.00 0.00 C ATOM 2365 CD2 LEU A 152 7.466 -8.952 -1.097 1.00 0.00 C ATOM 0 H LEU A 152 10.360 -6.046 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 152 9.619 -7.166 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 152 8.410 -6.775 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 152 8.611 -8.515 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 152 7.279 -6.846 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 152 5.196 -7.911 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 152 5.941 -6.928 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 152 6.082 -8.702 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 152 6.589 -9.023 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 152 7.547 -9.856 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 152 8.360 -8.844 -0.483 1.00 0.00 H new ATOM 2377 N GLU A 153 11.477 -8.979 -3.155 1.00 0.00 N ATOM 2378 CA GLU A 153 12.300 -10.178 -3.207 1.00 0.00 C ATOM 2379 C GLU A 153 13.155 -10.244 -1.945 1.00 0.00 C ATOM 2380 O GLU A 153 13.270 -11.291 -1.307 1.00 0.00 O ATOM 2381 CB GLU A 153 13.188 -10.170 -4.453 1.00 0.00 C ATOM 2382 CG GLU A 153 14.118 -11.369 -4.547 1.00 0.00 C ATOM 2383 CD GLU A 153 14.771 -11.495 -5.908 1.00 0.00 C ATOM 2384 OE1 GLU A 153 15.650 -10.666 -6.224 1.00 0.00 O ATOM 2385 OE2 GLU A 153 14.404 -12.423 -6.660 1.00 0.00 O ATOM 0 H GLU A 153 11.597 -8.345 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 153 11.657 -11.057 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 153 12.555 -10.142 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 153 13.784 -9.257 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 153 14.891 -11.285 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 153 13.556 -12.278 -4.332 1.00 0.00 H new ATOM 2392 N LYS A 154 13.721 -9.094 -1.575 1.00 0.00 N ATOM 2393 CA LYS A 154 14.533 -8.987 -0.368 1.00 0.00 C ATOM 2394 C LYS A 154 13.640 -9.163 0.860 1.00 0.00 C ATOM 2395 O LYS A 154 14.096 -9.574 1.927 1.00 0.00 O ATOM 2396 CB LYS A 154 15.242 -7.625 -0.325 1.00 0.00 C ATOM 2397 CG LYS A 154 15.695 -7.195 1.066 1.00 0.00 C ATOM 2398 CD LYS A 154 14.568 -6.521 1.839 1.00 0.00 C ATOM 2399 CE LYS A 154 14.910 -5.082 2.195 1.00 0.00 C ATOM 2400 NZ LYS A 154 14.090 -4.581 3.336 1.00 0.00 N ATOM 0 H LYS A 154 13.630 -8.223 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 154 15.293 -9.768 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 154 16.111 -7.660 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 154 14.570 -6.866 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 154 16.047 -8.065 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 154 16.538 -6.510 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 154 13.656 -6.541 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 154 14.366 -7.083 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 154 15.967 -5.013 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 154 14.749 -4.445 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 13.823 -3.591 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 13.231 -5.160 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 14.643 -4.642 4.214 1.00 0.00 H new ATOM 2414 N TYR A 155 12.360 -8.852 0.683 1.00 0.00 N ATOM 2415 CA TYR A 155 11.373 -8.970 1.749 1.00 0.00 C ATOM 2416 C TYR A 155 11.177 -10.432 2.131 1.00 0.00 C ATOM 2417 O TYR A 155 10.909 -10.754 3.288 1.00 0.00 O ATOM 2418 CB TYR A 155 10.044 -8.387 1.268 1.00 0.00 C ATOM 2419 CG TYR A 155 9.312 -7.547 2.288 1.00 0.00 C ATOM 2420 CD1 TYR A 155 9.424 -7.800 3.649 1.00 0.00 C ATOM 2421 CD2 TYR A 155 8.495 -6.501 1.880 1.00 0.00 C ATOM 2422 CE1 TYR A 155 8.742 -7.033 4.575 1.00 0.00 C ATOM 2423 CE2 TYR A 155 7.812 -5.729 2.796 1.00 0.00 C ATOM 2424 CZ TYR A 155 7.937 -5.999 4.143 1.00 0.00 C ATOM 2425 OH TYR A 155 7.255 -5.235 5.063 1.00 0.00 O ATOM 0 H TYR A 155 11.979 -8.512 -0.200 1.00 0.00 H new ATOM 0 HA TYR A 155 11.726 -8.423 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 155 10.230 -7.778 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 155 9.395 -9.206 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 155 10.054 -8.609 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 155 8.393 -6.288 0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 155 8.839 -7.242 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 155 7.183 -4.918 2.461 1.00 0.00 H new ATOM 0 HH TYR A 155 7.694 -5.305 5.936 1.00 0.00 H new ATOM 2435 N ARG A 156 11.315 -11.313 1.145 1.00 0.00 N ATOM 2436 CA ARG A 156 11.155 -12.745 1.372 1.00 0.00 C ATOM 2437 C ARG A 156 12.509 -13.452 1.344 1.00 0.00 C ATOM 2438 O ARG A 156 12.981 -13.868 0.285 1.00 0.00 O ATOM 2439 CB ARG A 156 10.230 -13.348 0.313 1.00 0.00 C ATOM 2440 CG ARG A 156 9.283 -14.402 0.862 1.00 0.00 C ATOM 2441 CD ARG A 156 9.869 -15.799 0.733 1.00 0.00 C ATOM 2442 NE ARG A 156 8.832 -16.815 0.570 1.00 0.00 N ATOM 2443 CZ ARG A 156 8.077 -17.269 1.567 1.00 0.00 C ATOM 2444 NH1 ARG A 156 8.238 -16.801 2.799 1.00 0.00 N ATOM 2445 NH2 ARG A 156 7.156 -18.194 1.333 1.00 0.00 N ATOM 0 H ARG A 156 11.537 -11.061 0.182 1.00 0.00 H new ATOM 0 HA ARG A 156 10.710 -12.887 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 156 9.646 -12.549 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 156 10.836 -13.792 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 156 9.070 -14.191 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 156 8.334 -14.354 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 156 10.545 -15.831 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 156 10.463 -16.026 1.618 1.00 0.00 H new ATOM 0 HE ARG A 156 8.678 -17.199 -0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 156 8.944 -16.089 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 156 7.656 -17.154 3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 156 7.027 -18.557 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 156 6.577 -18.542 2.097 1.00 0.00 H new ATOM 2459 N PRO A 157 13.156 -13.597 2.516 1.00 0.00 N ATOM 2460 CA PRO A 157 14.463 -14.256 2.623 1.00 0.00 C ATOM 2461 C PRO A 157 14.402 -15.738 2.271 1.00 0.00 C ATOM 2462 O PRO A 157 13.361 -16.379 2.416 1.00 0.00 O ATOM 2463 CB PRO A 157 14.843 -14.073 4.096 1.00 0.00 C ATOM 2464 CG PRO A 157 13.550 -13.854 4.802 1.00 0.00 C ATOM 2465 CD PRO A 157 12.666 -13.130 3.826 1.00 0.00 C ATOM 0 HA PRO A 157 15.185 -13.829 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 157 15.360 -14.951 4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 157 15.514 -13.224 4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 157 13.104 -14.802 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 157 13.694 -13.266 5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 157 11.615 -13.378 3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 157 12.756 -12.048 3.927 1.00 0.00 H new ATOM 2473 N LYS A 158 15.526 -16.277 1.809 1.00 0.00 N ATOM 2474 CA LYS A 158 15.609 -17.680 1.439 1.00 0.00 C ATOM 2475 C LYS A 158 17.003 -18.226 1.730 1.00 0.00 C ATOM 2476 O LYS A 158 18.003 -17.698 1.246 1.00 0.00 O ATOM 2477 CB LYS A 158 15.276 -17.860 -0.044 1.00 0.00 C ATOM 2478 CG LYS A 158 14.583 -19.177 -0.355 1.00 0.00 C ATOM 2479 CD LYS A 158 14.518 -19.431 -1.852 1.00 0.00 C ATOM 2480 CE LYS A 158 13.192 -20.058 -2.253 1.00 0.00 C ATOM 2481 NZ LYS A 158 12.725 -19.567 -3.579 1.00 0.00 N ATOM 0 H LYS A 158 16.395 -15.758 1.683 1.00 0.00 H new ATOM 0 HA LYS A 158 14.884 -18.236 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 158 14.638 -17.038 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 158 16.196 -17.797 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 158 15.116 -19.994 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 158 13.574 -19.165 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 158 14.654 -18.492 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 158 15.336 -20.088 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 158 13.298 -21.142 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 158 12.440 -19.832 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.818 -20.018 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 12.600 -18.535 -3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 13.430 -19.805 -4.305 1.00 0.00 H new ATOM 2495 N GLN A 159 17.054 -19.282 2.528 1.00 0.00 N ATOM 2496 CA GLN A 159 18.320 -19.910 2.898 1.00 0.00 C ATOM 2497 C GLN A 159 19.141 -20.276 1.663 1.00 0.00 C ATOM 2498 O GLN A 159 20.363 -20.399 1.736 1.00 0.00 O ATOM 2499 CB GLN A 159 18.063 -21.160 3.743 1.00 0.00 C ATOM 2500 CG GLN A 159 18.118 -20.902 5.240 1.00 0.00 C ATOM 2501 CD GLN A 159 18.535 -22.129 6.028 1.00 0.00 C ATOM 2502 OE1 GLN A 159 19.714 -22.658 5.719 1.00 0.00 O flip ATOM 2503 NE2 GLN A 159 17.808 -22.596 6.903 1.00 0.00 N flip ATOM 0 H GLN A 159 16.231 -19.726 2.935 1.00 0.00 H new ATOM 0 HA GLN A 159 18.891 -19.190 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 159 17.084 -21.566 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 159 18.800 -21.920 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 159 18.818 -20.091 5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 159 17.139 -20.569 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 159 16.910 -22.158 7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 159 18.103 -23.422 7.424 1.00 0.00 H new ATOM 2512 N ARG A 160 18.464 -20.452 0.531 1.00 0.00 N ATOM 2513 CA ARG A 160 19.139 -20.804 -0.713 1.00 0.00 C ATOM 2514 C ARG A 160 20.174 -19.748 -1.092 1.00 0.00 C ATOM 2515 O ARG A 160 21.166 -20.050 -1.756 1.00 0.00 O ATOM 2516 CB ARG A 160 18.118 -20.965 -1.842 1.00 0.00 C ATOM 2517 CG ARG A 160 17.780 -22.415 -2.153 1.00 0.00 C ATOM 2518 CD ARG A 160 17.070 -22.546 -3.492 1.00 0.00 C ATOM 2519 NE ARG A 160 17.572 -23.678 -4.268 1.00 0.00 N ATOM 2520 CZ ARG A 160 16.917 -24.226 -5.289 1.00 0.00 C ATOM 2521 NH1 ARG A 160 15.734 -23.752 -5.658 1.00 0.00 N ATOM 2522 NH2 ARG A 160 17.445 -25.252 -5.941 1.00 0.00 N ATOM 0 H ARG A 160 17.452 -20.357 0.450 1.00 0.00 H new ATOM 0 HA ARG A 160 19.656 -21.751 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 160 17.203 -20.437 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 160 18.506 -20.490 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 160 18.694 -23.008 -2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 160 17.147 -22.820 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 160 16.000 -22.667 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 160 17.202 -21.627 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 160 18.478 -24.071 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 160 15.322 -22.964 -5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 160 15.237 -24.176 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 160 18.353 -25.622 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 160 16.943 -25.672 -6.723 1.00 0.00 H new ATOM 2536 N LEU A 161 19.938 -18.512 -0.665 1.00 0.00 N ATOM 2537 CA LEU A 161 20.851 -17.415 -0.960 1.00 0.00 C ATOM 2538 C LEU A 161 22.201 -17.632 -0.283 1.00 0.00 C ATOM 2539 O LEU A 161 23.251 -17.498 -0.912 1.00 0.00 O ATOM 2540 CB LEU A 161 20.248 -16.084 -0.505 1.00 0.00 C ATOM 2541 CG LEU A 161 19.375 -15.379 -1.546 1.00 0.00 C ATOM 2542 CD1 LEU A 161 17.916 -15.769 -1.370 1.00 0.00 C ATOM 2543 CD2 LEU A 161 19.541 -13.870 -1.446 1.00 0.00 C ATOM 0 H LEU A 161 19.122 -18.245 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 161 21.006 -17.386 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 161 19.650 -16.260 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 161 21.059 -15.414 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 161 19.698 -15.695 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 161 17.310 -15.258 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 161 17.810 -16.847 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 161 17.580 -15.482 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 161 18.913 -13.385 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 161 19.245 -13.537 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 161 20.584 -13.606 -1.622 1.00 0.00 H new ATOM 2555 N ARG A 162 22.166 -17.968 1.003 1.00 0.00 N ATOM 2556 CA ARG A 162 23.387 -18.205 1.766 1.00 0.00 C ATOM 2557 C ARG A 162 23.556 -19.689 2.074 1.00 0.00 C ATOM 2558 O ARG A 162 22.838 -20.531 1.534 1.00 0.00 O ATOM 2559 CB ARG A 162 23.364 -17.400 3.066 1.00 0.00 C ATOM 2560 CG ARG A 162 24.715 -16.812 3.442 1.00 0.00 C ATOM 2561 CD ARG A 162 24.570 -15.437 4.072 1.00 0.00 C ATOM 2562 NE ARG A 162 25.705 -15.104 4.929 1.00 0.00 N ATOM 2563 CZ ARG A 162 26.922 -14.818 4.472 1.00 0.00 C ATOM 2564 NH1 ARG A 162 27.165 -14.824 3.166 1.00 0.00 N ATOM 2565 NH2 ARG A 162 27.898 -14.526 5.320 1.00 0.00 N ATOM 0 H ARG A 162 21.305 -18.082 1.539 1.00 0.00 H new ATOM 0 HA ARG A 162 24.234 -17.880 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 162 22.639 -16.592 2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 162 23.019 -18.043 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 162 25.222 -17.480 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 162 25.342 -16.741 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 162 24.477 -14.687 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 162 23.651 -15.402 4.658 1.00 0.00 H new ATOM 0 HE ARG A 162 25.556 -15.090 5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 162 26.418 -15.048 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 162 28.099 -14.604 2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 162 27.717 -14.520 6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 162 28.830 -14.307 4.969 1.00 0.00 H new ATOM 2579 N PHE A 163 24.511 -20.003 2.944 1.00 0.00 N ATOM 2580 CA PHE A 163 24.774 -21.386 3.324 1.00 0.00 C ATOM 2581 C PHE A 163 24.477 -21.612 4.803 1.00 0.00 C ATOM 2582 O PHE A 163 24.494 -20.675 5.599 1.00 0.00 O ATOM 2583 CB PHE A 163 26.230 -21.752 3.022 1.00 0.00 C ATOM 2584 CG PHE A 163 27.225 -20.828 3.663 1.00 0.00 C ATOM 2585 CD1 PHE A 163 27.475 -20.894 5.024 1.00 0.00 C ATOM 2586 CD2 PHE A 163 27.912 -19.894 2.904 1.00 0.00 C ATOM 2587 CE1 PHE A 163 28.392 -20.045 5.616 1.00 0.00 C ATOM 2588 CE2 PHE A 163 28.829 -19.042 3.490 1.00 0.00 C ATOM 2589 CZ PHE A 163 29.069 -19.118 4.848 1.00 0.00 C ATOM 0 H PHE A 163 25.115 -19.318 3.399 1.00 0.00 H new ATOM 0 HA PHE A 163 24.116 -22.028 2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 163 26.419 -22.770 3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 163 26.382 -21.744 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 163 26.948 -21.617 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 163 27.729 -19.831 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 163 28.579 -20.107 6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 163 29.357 -18.318 2.887 1.00 0.00 H new ATOM 0 HZ PHE A 163 29.785 -18.454 5.309 1.00 0.00 H new ATOM 2599 N LYS A 164 24.202 -22.862 5.161 1.00 0.00 N ATOM 2600 CA LYS A 164 23.900 -23.213 6.544 1.00 0.00 C ATOM 2601 C LYS A 164 22.669 -22.460 7.040 1.00 0.00 C ATOM 2602 O LYS A 164 22.237 -21.485 6.427 1.00 0.00 O ATOM 2603 CB LYS A 164 25.098 -22.904 7.444 1.00 0.00 C ATOM 2604 CG LYS A 164 26.213 -23.932 7.347 1.00 0.00 C ATOM 2605 CD LYS A 164 27.163 -23.837 8.530 1.00 0.00 C ATOM 2606 CE LYS A 164 26.851 -24.890 9.580 1.00 0.00 C ATOM 2607 NZ LYS A 164 25.590 -24.589 10.312 1.00 0.00 N ATOM 0 H LYS A 164 24.182 -23.649 4.512 1.00 0.00 H new ATOM 0 HA LYS A 164 23.691 -24.282 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 164 25.495 -21.923 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 164 24.759 -22.844 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 164 25.784 -24.933 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 164 26.768 -23.782 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 164 28.190 -23.959 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 164 27.093 -22.845 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 164 26.769 -25.866 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 164 27.677 -24.951 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 25.466 -25.273 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 25.638 -23.627 10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 24.784 -24.656 9.658 1.00 0.00 H new ATOM 2621 N ASP A 165 22.109 -22.921 8.154 1.00 0.00 N ATOM 2622 CA ASP A 165 20.929 -22.291 8.733 1.00 0.00 C ATOM 2623 C ASP A 165 21.321 -21.096 9.601 1.00 0.00 C ATOM 2624 O ASP A 165 21.895 -21.264 10.676 1.00 0.00 O ATOM 2625 CB ASP A 165 20.145 -23.306 9.570 1.00 0.00 C ATOM 2626 CG ASP A 165 19.647 -24.474 8.743 1.00 0.00 C ATOM 2627 OD1 ASP A 165 20.480 -25.309 8.332 1.00 0.00 O ATOM 2628 OD2 ASP A 165 18.422 -24.554 8.508 1.00 0.00 O ATOM 0 H ASP A 165 22.454 -23.728 8.673 1.00 0.00 H new ATOM 0 HA ASP A 165 20.299 -21.935 7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 165 20.780 -23.678 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 165 19.296 -22.808 10.039 1.00 0.00 H new ATOM 2633 N PRO A 166 21.017 -19.865 9.146 1.00 0.00 N ATOM 2634 CA PRO A 166 21.345 -18.647 9.894 1.00 0.00 C ATOM 2635 C PRO A 166 20.529 -18.517 11.176 1.00 0.00 C ATOM 2636 O PRO A 166 19.318 -18.304 11.134 1.00 0.00 O ATOM 2637 CB PRO A 166 20.991 -17.520 8.920 1.00 0.00 C ATOM 2638 CG PRO A 166 19.972 -18.111 8.009 1.00 0.00 C ATOM 2639 CD PRO A 166 20.332 -19.564 7.874 1.00 0.00 C ATOM 0 HA PRO A 166 22.386 -18.637 10.216 1.00 0.00 H new ATOM 0 HB2 PRO A 166 20.595 -16.652 9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 166 21.869 -17.184 8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 166 18.968 -17.994 8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 166 19.981 -17.615 7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 166 19.448 -20.186 7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 166 20.981 -19.739 7.016 1.00 0.00 H new ATOM 2647 N HIS A 167 21.202 -18.650 12.314 1.00 0.00 N ATOM 2648 CA HIS A 167 20.540 -18.548 13.609 1.00 0.00 C ATOM 2649 C HIS A 167 20.558 -17.111 14.119 1.00 0.00 C ATOM 2650 O HIS A 167 19.561 -16.614 14.643 1.00 0.00 O ATOM 2651 CB HIS A 167 21.217 -19.470 14.625 1.00 0.00 C ATOM 2652 CG HIS A 167 20.334 -19.847 15.773 1.00 0.00 C ATOM 2653 ND1 HIS A 167 20.202 -21.141 16.229 1.00 0.00 N ATOM 2654 CD2 HIS A 167 19.533 -19.090 16.562 1.00 0.00 C ATOM 2655 CE1 HIS A 167 19.360 -21.166 17.247 1.00 0.00 C ATOM 2656 NE2 HIS A 167 18.939 -19.934 17.468 1.00 0.00 N ATOM 0 H HIS A 167 22.205 -18.829 12.366 1.00 0.00 H new ATOM 0 HA HIS A 167 19.502 -18.856 13.483 1.00 0.00 H new ATOM 0 HB2 HIS A 167 21.546 -20.377 14.117 1.00 0.00 H new ATOM 0 HB3 HIS A 167 22.110 -18.978 15.011 1.00 0.00 H new ATOM 0 HD2 HIS A 167 19.389 -18.022 16.491 1.00 0.00 H new ATOM 0 HE1 HIS A 167 19.066 -22.044 17.803 1.00 0.00 H new ATOM 0 HE2 HIS A 167 18.279 -19.655 18.194 1.00 0.00 H new ATOM 2664 N THR A 168 21.699 -16.446 13.961 1.00 0.00 N ATOM 2665 CA THR A 168 21.847 -15.066 14.405 1.00 0.00 C ATOM 2666 C THR A 168 21.591 -14.094 13.258 1.00 0.00 C ATOM 2667 O THR A 168 22.021 -14.326 12.128 1.00 0.00 O ATOM 2668 CB THR A 168 23.247 -14.840 14.977 1.00 0.00 C ATOM 2669 OG1 THR A 168 23.687 -15.981 15.691 1.00 0.00 O ATOM 2670 CG2 THR A 168 23.327 -13.654 15.914 1.00 0.00 C ATOM 0 H THR A 168 22.534 -16.842 13.529 1.00 0.00 H new ATOM 0 HA THR A 168 21.109 -14.881 15.185 1.00 0.00 H new ATOM 0 HB THR A 168 23.883 -14.644 14.114 1.00 0.00 H new ATOM 0 HG1 THR A 168 24.585 -15.818 16.048 1.00 0.00 H new ATOM 0 HG21 THR A 168 24.347 -13.551 16.284 1.00 0.00 H new ATOM 0 HG22 THR A 168 23.041 -12.748 15.380 1.00 0.00 H new ATOM 0 HG23 THR A 168 22.650 -13.808 16.755 1.00 0.00 H new ATOM 2678 N HIS A 169 20.890 -13.005 13.556 1.00 0.00 N ATOM 2679 CA HIS A 169 20.578 -11.997 12.550 1.00 0.00 C ATOM 2680 C HIS A 169 21.546 -10.821 12.640 1.00 0.00 C ATOM 2681 O HIS A 169 22.404 -10.777 13.521 1.00 0.00 O ATOM 2682 CB HIS A 169 19.138 -11.506 12.720 1.00 0.00 C ATOM 2683 CG HIS A 169 18.184 -12.098 11.731 1.00 0.00 C ATOM 2684 ND1 HIS A 169 18.095 -13.451 11.486 1.00 0.00 N ATOM 2685 CD2 HIS A 169 17.270 -11.511 10.920 1.00 0.00 C ATOM 2686 CE1 HIS A 169 17.171 -13.674 10.569 1.00 0.00 C ATOM 2687 NE2 HIS A 169 16.655 -12.512 10.210 1.00 0.00 N ATOM 0 H HIS A 169 20.527 -12.798 14.487 1.00 0.00 H new ATOM 0 HA HIS A 169 20.683 -12.455 11.566 1.00 0.00 H new ATOM 0 HB2 HIS A 169 18.798 -11.744 13.728 1.00 0.00 H new ATOM 0 HB3 HIS A 169 19.119 -10.420 12.626 1.00 0.00 H new ATOM 0 HD2 HIS A 169 17.064 -10.453 10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 169 16.886 -14.640 10.180 1.00 0.00 H new ATOM 0 HE2 HIS A 169 15.918 -12.380 9.517 1.00 0.00 H new ATOM 2695 N LYS A 170 21.401 -9.871 11.723 1.00 0.00 N ATOM 2696 CA LYS A 170 22.261 -8.694 11.698 1.00 0.00 C ATOM 2697 C LYS A 170 21.619 -7.566 10.899 1.00 0.00 C ATOM 2698 O LYS A 170 21.830 -7.449 9.691 1.00 0.00 O ATOM 2699 CB LYS A 170 23.625 -9.046 11.101 1.00 0.00 C ATOM 2700 CG LYS A 170 24.731 -8.081 11.499 1.00 0.00 C ATOM 2701 CD LYS A 170 25.022 -7.080 10.392 1.00 0.00 C ATOM 2702 CE LYS A 170 25.927 -7.676 9.324 1.00 0.00 C ATOM 2703 NZ LYS A 170 27.096 -6.799 9.034 1.00 0.00 N ATOM 0 H LYS A 170 20.695 -9.893 10.987 1.00 0.00 H new ATOM 0 HA LYS A 170 22.398 -8.354 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 170 23.901 -10.052 11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 170 23.543 -9.063 10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 170 24.442 -7.549 12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 170 25.637 -8.640 11.733 1.00 0.00 H new ATOM 0 HD2 LYS A 170 24.086 -6.756 9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 170 25.493 -6.194 10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 170 26.279 -8.654 9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 170 25.355 -7.833 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 27.688 -7.240 8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 26.761 -5.874 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 27.656 -6.670 9.900 1.00 0.00 H new ATOM 2717 N THR A 171 20.833 -6.738 11.579 1.00 0.00 N ATOM 2718 CA THR A 171 20.160 -5.618 10.931 1.00 0.00 C ATOM 2719 C THR A 171 21.101 -4.427 10.785 1.00 0.00 C ATOM 2720 O THR A 171 21.182 -3.814 9.720 1.00 0.00 O ATOM 2721 CB THR A 171 18.922 -5.209 11.732 1.00 0.00 C ATOM 2722 OG1 THR A 171 19.241 -5.054 13.103 1.00 0.00 O ATOM 2723 CG2 THR A 171 17.789 -6.208 11.634 1.00 0.00 C ATOM 0 H THR A 171 20.646 -6.821 12.578 1.00 0.00 H new ATOM 0 HA THR A 171 19.852 -5.938 9.936 1.00 0.00 H new ATOM 0 HB THR A 171 18.593 -4.267 11.294 1.00 0.00 H new ATOM 0 HG1 THR A 171 18.437 -4.791 13.598 1.00 0.00 H new ATOM 0 HG21 THR A 171 16.943 -5.857 12.225 1.00 0.00 H new ATOM 0 HG22 THR A 171 17.486 -6.313 10.592 1.00 0.00 H new ATOM 0 HG23 THR A 171 18.122 -7.174 12.014 1.00 0.00 H new ATOM 2731 N ARG A 172 21.811 -4.105 11.861 1.00 0.00 N ATOM 2732 CA ARG A 172 22.747 -2.987 11.853 1.00 0.00 C ATOM 2733 C ARG A 172 23.930 -3.260 12.775 1.00 0.00 C ATOM 2734 O ARG A 172 25.071 -2.925 12.390 1.00 0.00 O ATOM 2735 CB ARG A 172 22.040 -1.698 12.279 1.00 0.00 C ATOM 2736 CG ARG A 172 21.204 -1.070 11.176 1.00 0.00 C ATOM 2737 CD ARG A 172 20.800 0.353 11.527 1.00 0.00 C ATOM 2738 NE ARG A 172 20.153 1.030 10.405 1.00 0.00 N ATOM 2739 CZ ARG A 172 20.804 1.476 9.333 1.00 0.00 C ATOM 2740 NH1 ARG A 172 22.118 1.320 9.233 1.00 0.00 N ATOM 2741 NH2 ARG A 172 20.138 2.081 8.359 1.00 0.00 N ATOM 2742 OXT ARG A 172 23.707 -3.806 13.876 1.00 0.00 O ATOM 0 H ARG A 172 21.756 -4.603 12.750 1.00 0.00 H new ATOM 0 HA ARG A 172 23.122 -2.868 10.836 1.00 0.00 H new ATOM 0 HB2 ARG A 172 21.398 -1.911 13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 172 22.786 -0.977 12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 172 21.770 -1.070 10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 172 20.311 -1.672 11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 172 20.123 0.338 12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 172 21.682 0.916 11.830 1.00 0.00 H new ATOM 0 HE ARG A 172 19.143 1.169 10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 172 22.635 0.856 9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 172 22.611 1.664 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 172 19.128 2.204 8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 172 20.636 2.423 7.537 1.00 0.00 H new TER 2756 ARG A 172