USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 962 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 72 THR OG1 : rot -49:sc= 1.24 USER MOD Set 1.2: A 105 ASN : amide:sc= 1.01 K(o=2.2,f=0.12) USER MOD Set 2.1: A 93 LYS NZ :NH3+ -165:sc= -0.762 (180deg=-0.0513) USER MOD Set 2.2: A 95 ASN : amide:sc= -0.381 K(o=-1.1,f=-3.8!) USER MOD Set 3.1: A 65 SER OG : rot 143:sc= -1.45! USER MOD Set 3.2: A 102 TYR OH : rot -46:sc= 0.0935 USER MOD Set 4.1: A 57 THR OG1 : rot 180:sc= 0.467 USER MOD Set 4.2: A 84 THR OG1 : rot -86:sc= 0.505 USER MOD Set 5.1: A 37 GLN : amide:sc= -0.178 X(o=-1.3,f=-1.4) USER MOD Set 5.2: A 87 SER OG : rot 56:sc= -1.07 USER MOD Set 6.1: A 17 TYR OH : rot -44:sc= 0.769 USER MOD Set 6.2: A 29 HIS : no HD1:sc= -1.04 X(o=-0.27,f=0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.01! C(o=-1!,f=-3.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -3.59! X(o=-3.6!,f=-3.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : +bothHN:sc= 0.096 K(o=0.096,f=-1.4) USER MOD Single : A 19 TYR OH : rot 131:sc= -0.65 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.125 F(o=-0.85,f=-0.12) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -141:sc= 0.912 (180deg=0.136) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.926 X(o=-0.93,f=-0.67) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 36:sc= 0.444 USER MOD Single : A 58 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 59 THR OG1 : rot -111:sc= 0.18 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 0.253 (180deg=0.224) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 0.409 (180deg=-0.339) USER MOD Single : A 89 ASN : amide:sc= -0.357 K(o=-0.36,f=-5.5!) USER MOD Single : A 94 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.7!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 103 SER OG : rot 26:sc= 0.0675 USER MOD Single : A 106 THR OG1 : rot -13:sc= 0.268 USER MOD Single : A 108 THR OG1 : rot -46:sc= 0.0046 USER MOD Single : A 109 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HE2:sc= 0.266 K(o=0.27,f=-1.8) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.0058 X(o=-0.0058,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.079 -29.166 3.092 1.00 0.00 N ATOM 2 CA MET A 1 19.712 -29.097 3.657 1.00 0.00 C ATOM 3 C MET A 1 19.067 -27.758 3.276 1.00 0.00 C ATOM 4 O MET A 1 19.601 -26.696 3.603 1.00 0.00 O ATOM 5 CB MET A 1 19.755 -29.259 5.202 1.00 0.00 C ATOM 6 CG MET A 1 18.380 -29.349 5.885 1.00 0.00 C ATOM 7 SD MET A 1 18.506 -29.508 7.684 1.00 0.00 S ATOM 8 CE MET A 1 16.776 -29.553 8.171 1.00 0.00 C ATOM 0 H1 MET A 1 21.516 -30.074 3.350 1.00 0.00 H new ATOM 0 H2 MET A 1 21.031 -29.087 2.056 1.00 0.00 H new ATOM 0 H3 MET A 1 21.652 -28.385 3.472 1.00 0.00 H new ATOM 0 HA MET A 1 19.114 -29.911 3.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.323 -30.158 5.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.300 -28.415 5.626 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.799 -28.459 5.642 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.835 -30.204 5.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.705 -29.649 9.254 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.285 -28.632 7.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.287 -30.405 7.699 1.00 0.00 H new ATOM 20 N ILE A 2 17.930 -27.817 2.571 1.00 0.00 N ATOM 21 CA ILE A 2 17.166 -26.633 2.142 1.00 0.00 C ATOM 22 C ILE A 2 15.877 -26.517 2.960 1.00 0.00 C ATOM 23 O ILE A 2 15.266 -27.535 3.306 1.00 0.00 O ATOM 24 CB ILE A 2 16.827 -26.723 0.598 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.132 -26.692 -0.251 1.00 0.00 C ATOM 26 CG2 ILE A 2 15.852 -25.612 0.138 1.00 0.00 C ATOM 27 CD1 ILE A 2 18.952 -25.416 -0.114 1.00 0.00 C ATOM 0 H ILE A 2 17.508 -28.698 2.278 1.00 0.00 H new ATOM 0 HA ILE A 2 17.774 -25.744 2.311 1.00 0.00 H new ATOM 0 HB ILE A 2 16.321 -27.675 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 2 18.755 -27.540 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 2 17.870 -26.828 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.654 -25.721 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 2 14.917 -25.697 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.298 -24.635 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 2 19.841 -25.486 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 2 18.352 -24.562 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.251 -25.285 0.926 1.00 0.00 H new ATOM 39 N GLU A 3 15.485 -25.272 3.287 1.00 0.00 N ATOM 40 CA GLU A 3 14.144 -24.964 3.814 1.00 0.00 C ATOM 41 C GLU A 3 13.485 -23.850 2.963 1.00 0.00 C ATOM 42 O GLU A 3 14.199 -22.996 2.418 1.00 0.00 O ATOM 43 CB GLU A 3 14.210 -24.543 5.304 1.00 0.00 C ATOM 44 CG GLU A 3 15.042 -23.285 5.600 1.00 0.00 C ATOM 45 CD GLU A 3 14.816 -22.751 7.021 1.00 0.00 C ATOM 46 OE1 GLU A 3 15.373 -23.326 7.980 1.00 0.00 O ATOM 47 OE2 GLU A 3 14.057 -21.779 7.190 1.00 0.00 O ATOM 0 H GLU A 3 16.087 -24.454 3.194 1.00 0.00 H new ATOM 0 HA GLU A 3 13.535 -25.866 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.194 -24.378 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.620 -25.372 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.099 -23.513 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.789 -22.508 4.879 1.00 0.00 H new ATOM 54 N PRO A 4 12.116 -23.840 2.811 1.00 0.00 N ATOM 55 CA PRO A 4 11.408 -22.735 2.127 1.00 0.00 C ATOM 56 C PRO A 4 11.385 -21.475 3.017 1.00 0.00 C ATOM 57 O PRO A 4 10.939 -21.532 4.173 1.00 0.00 O ATOM 58 CB PRO A 4 9.968 -23.299 1.890 1.00 0.00 C ATOM 59 CG PRO A 4 10.036 -24.759 2.259 1.00 0.00 C ATOM 60 CD PRO A 4 11.158 -24.880 3.263 1.00 0.00 C ATOM 0 HA PRO A 4 11.887 -22.430 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.236 -22.774 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.664 -23.171 0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.092 -25.099 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.229 -25.375 1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.812 -24.697 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.605 -25.874 3.252 1.00 0.00 H new ATOM 68 N ILE A 5 11.865 -20.343 2.479 1.00 0.00 N ATOM 69 CA ILE A 5 11.907 -19.065 3.215 1.00 0.00 C ATOM 70 C ILE A 5 11.205 -17.957 2.435 1.00 0.00 C ATOM 71 O ILE A 5 11.090 -18.014 1.207 1.00 0.00 O ATOM 72 CB ILE A 5 13.376 -18.606 3.560 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.233 -18.418 2.271 1.00 0.00 C ATOM 74 CG2 ILE A 5 14.042 -19.593 4.537 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.620 -17.835 2.486 1.00 0.00 C ATOM 0 H ILE A 5 12.233 -20.285 1.529 1.00 0.00 H new ATOM 0 HA ILE A 5 11.382 -19.244 4.153 1.00 0.00 H new ATOM 0 HB ILE A 5 13.315 -17.635 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.337 -19.386 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.688 -17.770 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.054 -19.256 4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.463 -19.639 5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.081 -20.583 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.130 -17.746 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.534 -16.849 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.193 -18.491 3.142 1.00 0.00 H new ATOM 87 N LYS A 6 10.729 -16.950 3.180 1.00 0.00 N ATOM 88 CA LYS A 6 10.156 -15.730 2.617 1.00 0.00 C ATOM 89 C LYS A 6 10.169 -14.604 3.640 1.00 0.00 C ATOM 90 O LYS A 6 10.038 -14.826 4.847 1.00 0.00 O ATOM 91 CB LYS A 6 8.722 -15.907 2.036 1.00 0.00 C ATOM 92 CG LYS A 6 7.653 -16.487 2.990 1.00 0.00 C ATOM 93 CD LYS A 6 7.648 -18.035 3.020 1.00 0.00 C ATOM 94 CE LYS A 6 7.328 -18.658 1.645 1.00 0.00 C ATOM 95 NZ LYS A 6 7.403 -20.151 1.668 1.00 0.00 N ATOM 0 H LYS A 6 10.733 -16.964 4.200 1.00 0.00 H new ATOM 0 HA LYS A 6 10.797 -15.473 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.374 -14.935 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.786 -16.556 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.829 -16.110 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.669 -16.131 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.622 -18.391 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.914 -18.377 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.330 -18.351 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.027 -18.273 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.181 -20.524 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.362 -20.446 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.718 -20.522 2.357 1.00 0.00 H new ATOM 109 N ARG A 7 10.366 -13.396 3.119 1.00 0.00 N ATOM 110 CA ARG A 7 10.236 -12.144 3.862 1.00 0.00 C ATOM 111 C ARG A 7 9.010 -11.396 3.334 1.00 0.00 C ATOM 112 O ARG A 7 8.590 -11.610 2.188 1.00 0.00 O ATOM 113 CB ARG A 7 11.524 -11.304 3.703 1.00 0.00 C ATOM 114 CG ARG A 7 12.756 -11.893 4.420 1.00 0.00 C ATOM 115 CD ARG A 7 14.045 -11.090 4.169 1.00 0.00 C ATOM 116 NE ARG A 7 15.188 -11.654 4.909 1.00 0.00 N ATOM 117 CZ ARG A 7 15.954 -10.994 5.798 1.00 0.00 C ATOM 118 NH1 ARG A 7 15.724 -9.712 6.066 1.00 0.00 N ATOM 119 NH2 ARG A 7 16.930 -11.628 6.431 1.00 0.00 N ATOM 0 H ARG A 7 10.627 -13.256 2.143 1.00 0.00 H new ATOM 0 HA ARG A 7 10.102 -12.339 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.749 -11.203 2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.340 -10.301 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.561 -11.930 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.905 -12.920 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.269 -11.084 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.893 -10.053 4.469 1.00 0.00 H new ATOM 0 HE ARG A 7 15.419 -12.631 4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.963 -9.222 5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.309 -9.219 6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.101 -12.616 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.510 -11.128 7.104 1.00 0.00 H new ATOM 133 N THR A 8 8.450 -10.511 4.161 1.00 0.00 N ATOM 134 CA THR A 8 7.182 -9.834 3.875 1.00 0.00 C ATOM 135 C THR A 8 7.334 -8.319 4.062 1.00 0.00 C ATOM 136 O THR A 8 7.721 -7.856 5.140 1.00 0.00 O ATOM 137 CB THR A 8 6.067 -10.386 4.819 1.00 0.00 C ATOM 138 OG1 THR A 8 5.987 -11.807 4.665 1.00 0.00 O ATOM 139 CG2 THR A 8 4.690 -9.777 4.534 1.00 0.00 C ATOM 0 H THR A 8 8.865 -10.242 5.053 1.00 0.00 H new ATOM 0 HA THR A 8 6.901 -10.027 2.840 1.00 0.00 H new ATOM 0 HB THR A 8 6.340 -10.112 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.290 -12.161 5.256 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.956 -10.199 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.735 -8.696 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.398 -10.002 3.508 1.00 0.00 H new ATOM 147 N GLN A 9 7.052 -7.555 3.006 1.00 0.00 N ATOM 148 CA GLN A 9 7.037 -6.097 3.055 1.00 0.00 C ATOM 149 C GLN A 9 5.660 -5.601 2.612 1.00 0.00 C ATOM 150 O GLN A 9 5.318 -5.697 1.433 1.00 0.00 O ATOM 151 CB GLN A 9 8.146 -5.511 2.145 1.00 0.00 C ATOM 152 CG GLN A 9 8.327 -3.995 2.297 1.00 0.00 C ATOM 153 CD GLN A 9 8.829 -3.612 3.696 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.051 -3.428 4.626 1.00 0.00 O ATOM 155 NE2 GLN A 9 10.124 -3.439 3.844 1.00 0.00 N ATOM 0 H GLN A 9 6.826 -7.936 2.087 1.00 0.00 H new ATOM 0 HA GLN A 9 7.232 -5.765 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.090 -6.006 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.909 -5.738 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.034 -3.638 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.378 -3.496 2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.753 -3.598 3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.500 -3.146 4.746 1.00 0.00 H new ATOM 164 N VAL A 10 4.853 -5.110 3.565 1.00 0.00 N ATOM 165 CA VAL A 10 3.515 -4.593 3.259 1.00 0.00 C ATOM 166 C VAL A 10 3.588 -3.072 3.006 1.00 0.00 C ATOM 167 O VAL A 10 4.272 -2.342 3.730 1.00 0.00 O ATOM 168 CB VAL A 10 2.461 -4.956 4.387 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.567 -6.454 4.757 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.580 -4.068 5.653 1.00 0.00 C ATOM 0 H VAL A 10 5.105 -5.061 4.552 1.00 0.00 H new ATOM 0 HA VAL A 10 3.160 -5.079 2.350 1.00 0.00 H new ATOM 0 HB VAL A 10 1.475 -4.753 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.838 -6.690 5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.367 -7.062 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.570 -6.668 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.829 -4.372 6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.574 -4.183 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.421 -3.024 5.382 1.00 0.00 H new ATOM 180 N VAL A 11 2.935 -2.621 1.927 1.00 0.00 N ATOM 181 CA VAL A 11 2.773 -1.196 1.594 1.00 0.00 C ATOM 182 C VAL A 11 1.347 -0.805 1.997 1.00 0.00 C ATOM 183 O VAL A 11 0.400 -1.445 1.563 1.00 0.00 O ATOM 184 CB VAL A 11 3.028 -0.954 0.054 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.715 0.492 -0.369 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.484 -1.337 -0.321 1.00 0.00 C ATOM 0 H VAL A 11 2.497 -3.244 1.249 1.00 0.00 H new ATOM 0 HA VAL A 11 3.497 -0.581 2.128 1.00 0.00 H new ATOM 0 HB VAL A 11 2.342 -1.600 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.906 0.608 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.668 0.713 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.349 1.180 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.643 -1.164 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.180 -0.726 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.653 -2.390 -0.095 1.00 0.00 H new ATOM 196 N THR A 12 1.194 0.227 2.836 1.00 0.00 N ATOM 197 CA THR A 12 -0.067 0.493 3.555 1.00 0.00 C ATOM 198 C THR A 12 -0.617 1.903 3.268 1.00 0.00 C ATOM 199 O THR A 12 0.025 2.893 3.610 1.00 0.00 O ATOM 200 CB THR A 12 0.179 0.309 5.084 1.00 0.00 C ATOM 201 OG1 THR A 12 0.626 -1.037 5.337 1.00 0.00 O ATOM 202 CG2 THR A 12 -1.069 0.601 5.927 1.00 0.00 C ATOM 0 H THR A 12 1.934 0.900 3.038 1.00 0.00 H new ATOM 0 HA THR A 12 -0.818 -0.214 3.203 1.00 0.00 H new ATOM 0 HB THR A 12 0.941 1.031 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.783 -1.155 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.837 0.456 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.386 1.631 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.872 -0.077 5.636 1.00 0.00 H new ATOM 210 N GLN A 13 -1.795 1.961 2.623 1.00 0.00 N ATOM 211 CA GLN A 13 -2.578 3.199 2.423 1.00 0.00 C ATOM 212 C GLN A 13 -3.554 3.434 3.596 1.00 0.00 C ATOM 213 O GLN A 13 -4.575 2.747 3.710 1.00 0.00 O ATOM 214 CB GLN A 13 -3.341 3.143 1.056 1.00 0.00 C ATOM 215 CG GLN A 13 -2.552 3.686 -0.161 1.00 0.00 C ATOM 216 CD GLN A 13 -2.516 5.222 -0.241 1.00 0.00 C ATOM 217 OE1 GLN A 13 -2.570 5.928 0.769 1.00 0.00 O ATOM 218 NE2 GLN A 13 -2.409 5.749 -1.445 1.00 0.00 N ATOM 0 H GLN A 13 -2.240 1.137 2.218 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.888 4.043 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.620 2.109 0.856 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.267 3.710 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.530 3.309 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.997 3.294 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.366 5.144 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.369 6.762 -1.557 1.00 0.00 H new ATOM 227 N THR A 14 -3.210 4.390 4.475 1.00 0.00 N ATOM 228 CA THR A 14 -4.075 4.854 5.572 1.00 0.00 C ATOM 229 C THR A 14 -4.841 6.104 5.116 1.00 0.00 C ATOM 230 O THR A 14 -4.250 7.160 4.912 1.00 0.00 O ATOM 231 CB THR A 14 -3.220 5.183 6.833 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.516 4.007 7.251 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.065 5.725 8.000 1.00 0.00 C ATOM 0 H THR A 14 -2.310 4.869 4.443 1.00 0.00 H new ATOM 0 HA THR A 14 -4.782 4.066 5.831 1.00 0.00 H new ATOM 0 HB THR A 14 -2.519 5.969 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.977 4.213 8.043 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.417 5.937 8.851 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.568 6.641 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.809 4.982 8.287 1.00 0.00 H new ATOM 241 N ILE A 15 -6.160 5.984 4.969 1.00 0.00 N ATOM 242 CA ILE A 15 -6.991 7.024 4.346 1.00 0.00 C ATOM 243 C ILE A 15 -7.912 7.681 5.374 1.00 0.00 C ATOM 244 O ILE A 15 -8.561 7.008 6.184 1.00 0.00 O ATOM 245 CB ILE A 15 -7.780 6.420 3.133 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.748 5.932 2.069 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.774 7.439 2.514 1.00 0.00 C ATOM 248 CD1 ILE A 15 -7.291 5.042 0.996 1.00 0.00 C ATOM 0 H ILE A 15 -6.686 5.166 5.277 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.347 7.815 3.961 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.382 5.583 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.300 6.806 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.947 5.402 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.297 6.975 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.498 7.746 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.226 8.312 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.488 4.764 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.711 4.143 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.070 5.570 0.445 1.00 0.00 H new ATOM 260 N HIS A 16 -7.913 9.021 5.346 1.00 0.00 N ATOM 261 CA HIS A 16 -8.701 9.868 6.236 1.00 0.00 C ATOM 262 C HIS A 16 -9.766 10.561 5.387 1.00 0.00 C ATOM 263 O HIS A 16 -9.442 11.315 4.460 1.00 0.00 O ATOM 264 CB HIS A 16 -7.793 10.928 6.921 1.00 0.00 C ATOM 265 CG HIS A 16 -6.695 10.379 7.811 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.444 10.868 9.074 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.747 9.428 7.596 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.403 10.253 9.592 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.961 9.374 8.720 1.00 0.00 N ATOM 0 H HIS A 16 -7.349 9.554 4.684 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.163 9.268 7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.334 11.541 6.146 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.423 11.588 7.518 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.985 11.598 9.538 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.634 8.827 6.706 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.982 10.439 10.569 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.164 8.753 8.857 1.00 0.00 H new ATOM 278 N TYR A 17 -11.027 10.268 5.661 1.00 0.00 N ATOM 279 CA TYR A 17 -12.145 10.969 5.048 1.00 0.00 C ATOM 280 C TYR A 17 -12.414 12.215 5.897 1.00 0.00 C ATOM 281 O TYR A 17 -12.848 12.110 7.047 1.00 0.00 O ATOM 282 CB TYR A 17 -13.371 10.030 4.953 1.00 0.00 C ATOM 283 CG TYR A 17 -13.062 8.710 4.216 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.567 8.723 2.916 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.247 7.463 4.821 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.267 7.557 2.249 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.945 6.293 4.155 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.458 6.347 2.867 1.00 0.00 C ATOM 289 OH TYR A 17 -12.165 5.187 2.195 1.00 0.00 O ATOM 0 H TYR A 17 -11.305 9.537 6.315 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.922 11.276 4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.728 9.804 5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.179 10.548 4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.415 9.670 2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.633 7.415 5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.882 7.594 1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.090 5.339 4.641 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.507 5.244 1.279 1.00 0.00 H new ATOM 299 N ARG A 18 -12.049 13.385 5.358 1.00 0.00 N ATOM 300 CA ARG A 18 -12.123 14.682 6.070 1.00 0.00 C ATOM 301 C ARG A 18 -12.769 15.729 5.158 1.00 0.00 C ATOM 302 O ARG A 18 -12.732 15.590 3.941 1.00 0.00 O ATOM 303 CB ARG A 18 -10.703 15.159 6.494 1.00 0.00 C ATOM 304 CG ARG A 18 -9.923 14.174 7.391 1.00 0.00 C ATOM 305 CD ARG A 18 -10.521 14.020 8.804 1.00 0.00 C ATOM 306 NE ARG A 18 -10.255 15.202 9.657 1.00 0.00 N ATOM 307 CZ ARG A 18 -9.807 15.149 10.934 1.00 0.00 C ATOM 308 NH1 ARG A 18 -9.561 13.988 11.519 1.00 0.00 N ATOM 309 NH2 ARG A 18 -9.595 16.263 11.601 1.00 0.00 N ATOM 0 H ARG A 18 -11.690 13.466 4.407 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.727 14.554 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.117 15.350 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.798 16.109 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.898 13.197 6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.891 14.514 7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.597 13.865 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.105 13.131 9.278 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.422 16.123 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.708 13.118 11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.224 13.963 12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.768 17.164 11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.258 16.225 12.563 1.00 0.00 H new ATOM 323 N TYR A 19 -13.342 16.781 5.754 1.00 0.00 N ATOM 324 CA TYR A 19 -13.972 17.887 5.015 1.00 0.00 C ATOM 325 C TYR A 19 -12.950 18.986 4.696 1.00 0.00 C ATOM 326 O TYR A 19 -11.792 18.913 5.112 1.00 0.00 O ATOM 327 CB TYR A 19 -15.145 18.484 5.835 1.00 0.00 C ATOM 328 CG TYR A 19 -16.338 17.541 6.021 1.00 0.00 C ATOM 329 CD1 TYR A 19 -17.354 17.464 5.066 1.00 0.00 C ATOM 330 CD2 TYR A 19 -16.457 16.734 7.153 1.00 0.00 C ATOM 331 CE1 TYR A 19 -18.432 16.628 5.235 1.00 0.00 C ATOM 332 CE2 TYR A 19 -17.542 15.896 7.326 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.524 15.845 6.363 1.00 0.00 C ATOM 334 OH TYR A 19 -19.607 15.009 6.532 1.00 0.00 O ATOM 0 H TYR A 19 -13.383 16.892 6.767 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.357 17.488 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.773 18.776 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.490 19.393 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.292 18.074 4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.686 16.765 7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.206 16.586 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.619 15.284 8.213 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.294 14.113 6.775 1.00 0.00 H new ATOM 344 N GLU A 20 -13.411 20.004 3.958 1.00 0.00 N ATOM 345 CA GLU A 20 -12.612 21.198 3.622 1.00 0.00 C ATOM 346 C GLU A 20 -12.270 22.038 4.869 1.00 0.00 C ATOM 347 O GLU A 20 -11.268 22.755 4.877 1.00 0.00 O ATOM 348 CB GLU A 20 -13.358 22.060 2.584 1.00 0.00 C ATOM 349 CG GLU A 20 -14.774 22.490 3.012 1.00 0.00 C ATOM 350 CD GLU A 20 -15.309 23.643 2.172 1.00 0.00 C ATOM 351 OE1 GLU A 20 -14.957 24.796 2.467 1.00 0.00 O ATOM 352 OE2 GLU A 20 -16.065 23.410 1.209 1.00 0.00 O ATOM 0 H GLU A 20 -14.355 20.026 3.573 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.670 20.853 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.767 22.953 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.428 21.503 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.450 21.639 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.760 22.784 4.061 1.00 0.00 H new ATOM 359 N ASP A 21 -13.106 21.917 5.917 1.00 0.00 N ATOM 360 CA ASP A 21 -12.886 22.573 7.225 1.00 0.00 C ATOM 361 C ASP A 21 -11.848 21.806 8.066 1.00 0.00 C ATOM 362 O ASP A 21 -11.440 22.277 9.134 1.00 0.00 O ATOM 363 CB ASP A 21 -14.223 22.627 8.004 1.00 0.00 C ATOM 364 CG ASP A 21 -15.334 23.371 7.247 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.975 22.763 6.364 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.570 24.567 7.520 1.00 0.00 O ATOM 0 H ASP A 21 -13.959 21.359 5.883 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.510 23.580 7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.554 21.610 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.057 23.115 8.965 1.00 0.00 H new ATOM 371 N GLY A 22 -11.440 20.614 7.577 1.00 0.00 N ATOM 372 CA GLY A 22 -10.637 19.677 8.361 1.00 0.00 C ATOM 373 C GLY A 22 -11.483 18.913 9.374 1.00 0.00 C ATOM 374 O GLY A 22 -10.951 18.289 10.289 1.00 0.00 O ATOM 0 H GLY A 22 -11.660 20.286 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.146 18.971 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.850 20.221 8.882 1.00 0.00 H new ATOM 378 N ALA A 23 -12.816 18.971 9.209 1.00 0.00 N ATOM 379 CA ALA A 23 -13.763 18.264 10.080 1.00 0.00 C ATOM 380 C ALA A 23 -13.741 16.760 9.767 1.00 0.00 C ATOM 381 O ALA A 23 -13.463 16.367 8.634 1.00 0.00 O ATOM 382 CB ALA A 23 -15.174 18.854 9.911 1.00 0.00 C ATOM 0 H ALA A 23 -13.264 19.510 8.468 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.467 18.395 11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.870 18.324 10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.161 19.911 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.492 18.746 8.874 1.00 0.00 H new ATOM 388 N VAL A 24 -14.030 15.933 10.776 1.00 0.00 N ATOM 389 CA VAL A 24 -14.009 14.469 10.645 1.00 0.00 C ATOM 390 C VAL A 24 -15.236 13.979 9.853 1.00 0.00 C ATOM 391 O VAL A 24 -16.365 14.351 10.178 1.00 0.00 O ATOM 392 CB VAL A 24 -13.991 13.783 12.066 1.00 0.00 C ATOM 393 CG1 VAL A 24 -14.066 12.240 11.967 1.00 0.00 C ATOM 394 CG2 VAL A 24 -12.755 14.237 12.884 1.00 0.00 C ATOM 0 H VAL A 24 -14.286 16.258 11.709 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.103 14.193 10.106 1.00 0.00 H new ATOM 0 HB VAL A 24 -14.886 14.110 12.596 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -14.051 11.810 12.968 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.988 11.952 11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.212 11.870 11.400 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.765 13.750 13.859 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.845 13.962 12.351 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.784 15.318 13.018 1.00 0.00 H new ATOM 404 N ALA A 25 -15.010 13.183 8.793 1.00 0.00 N ATOM 405 CA ALA A 25 -16.073 12.374 8.183 1.00 0.00 C ATOM 406 C ALA A 25 -15.919 10.935 8.696 1.00 0.00 C ATOM 407 O ALA A 25 -16.762 10.455 9.450 1.00 0.00 O ATOM 408 CB ALA A 25 -16.018 12.446 6.645 1.00 0.00 C ATOM 0 H ALA A 25 -14.100 13.085 8.343 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.052 12.761 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.818 11.837 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -16.142 13.480 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.055 12.072 6.297 1.00 0.00 H new ATOM 414 N HIS A 26 -14.774 10.295 8.366 1.00 0.00 N ATOM 415 CA HIS A 26 -14.418 8.922 8.822 1.00 0.00 C ATOM 416 C HIS A 26 -12.889 8.717 8.704 1.00 0.00 C ATOM 417 O HIS A 26 -12.376 8.469 7.613 1.00 0.00 O ATOM 418 CB HIS A 26 -15.146 7.801 7.998 1.00 0.00 C ATOM 419 CG HIS A 26 -16.644 7.725 8.158 1.00 0.00 C ATOM 420 ND1 HIS A 26 -17.651 8.163 7.361 1.00 0.00 N flip ATOM 421 CD2 HIS A 26 -17.257 7.165 9.257 1.00 0.00 C flip ATOM 422 CE1 HIS A 26 -18.828 7.866 7.995 1.00 0.00 C flip ATOM 423 NE2 HIS A 26 -18.564 7.268 9.135 1.00 0.00 N flip ATOM 0 H HIS A 26 -14.061 10.717 7.770 1.00 0.00 H new ATOM 0 HA HIS A 26 -14.744 8.836 9.858 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.921 7.951 6.942 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -14.722 6.838 8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.744 6.711 10.092 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -19.816 8.088 7.618 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -19.254 6.940 9.810 1.00 0.00 H new ATOM 432 N ASP A 27 -12.150 8.844 9.816 1.00 0.00 N ATOM 433 CA ASP A 27 -10.702 8.512 9.851 1.00 0.00 C ATOM 434 C ASP A 27 -10.490 6.988 9.958 1.00 0.00 C ATOM 435 O ASP A 27 -11.451 6.234 10.143 1.00 0.00 O ATOM 436 CB ASP A 27 -10.000 9.251 11.017 1.00 0.00 C ATOM 437 CG ASP A 27 -9.975 10.774 10.823 1.00 0.00 C ATOM 438 OD1 ASP A 27 -10.992 11.434 11.106 1.00 0.00 O ATOM 439 OD2 ASP A 27 -8.937 11.324 10.376 1.00 0.00 O ATOM 0 H ASP A 27 -12.523 9.173 10.707 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.253 8.848 8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.511 9.016 11.951 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.978 8.884 11.112 1.00 0.00 H new ATOM 444 N ASP A 28 -9.216 6.567 9.816 1.00 0.00 N ATOM 445 CA ASP A 28 -8.789 5.151 9.879 1.00 0.00 C ATOM 446 C ASP A 28 -9.519 4.290 8.833 1.00 0.00 C ATOM 447 O ASP A 28 -10.538 3.636 9.123 1.00 0.00 O ATOM 448 CB ASP A 28 -8.923 4.568 11.320 1.00 0.00 C ATOM 449 CG ASP A 28 -8.438 3.107 11.447 1.00 0.00 C ATOM 450 OD1 ASP A 28 -7.210 2.872 11.483 1.00 0.00 O ATOM 451 OD2 ASP A 28 -9.282 2.181 11.494 1.00 0.00 O ATOM 0 H ASP A 28 -8.442 7.210 9.652 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.729 5.122 9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.353 5.192 12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.967 4.623 11.629 1.00 0.00 H new ATOM 456 N HIS A 29 -9.027 4.360 7.592 1.00 0.00 N ATOM 457 CA HIS A 29 -9.454 3.463 6.515 1.00 0.00 C ATOM 458 C HIS A 29 -8.197 2.906 5.846 1.00 0.00 C ATOM 459 O HIS A 29 -7.640 3.519 4.932 1.00 0.00 O ATOM 460 CB HIS A 29 -10.368 4.192 5.507 1.00 0.00 C ATOM 461 CG HIS A 29 -11.013 3.263 4.503 1.00 0.00 C ATOM 462 ND1 HIS A 29 -12.339 2.897 4.562 1.00 0.00 N ATOM 463 CD2 HIS A 29 -10.502 2.610 3.431 1.00 0.00 C ATOM 464 CE1 HIS A 29 -12.608 2.060 3.578 1.00 0.00 C ATOM 465 NE2 HIS A 29 -11.513 1.870 2.880 1.00 0.00 N ATOM 0 H HIS A 29 -8.322 5.040 7.307 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.048 2.643 6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.148 4.724 6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.784 4.942 4.974 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.483 2.664 3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.568 1.607 3.380 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.429 1.269 2.060 1.00 0.00 H new ATOM 474 N VAL A 30 -7.743 1.752 6.332 1.00 0.00 N ATOM 475 CA VAL A 30 -6.441 1.180 5.973 1.00 0.00 C ATOM 476 C VAL A 30 -6.609 -0.001 4.999 1.00 0.00 C ATOM 477 O VAL A 30 -7.375 -0.933 5.267 1.00 0.00 O ATOM 478 CB VAL A 30 -5.679 0.714 7.270 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.362 -0.018 6.931 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.428 1.912 8.223 1.00 0.00 C ATOM 0 H VAL A 30 -8.271 1.181 6.992 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.854 1.951 5.474 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.318 -0.002 7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.867 -0.323 7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.580 -0.899 6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.707 0.651 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.900 1.566 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.825 2.663 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.382 2.351 8.515 1.00 0.00 H new ATOM 490 N VAL A 31 -5.883 0.068 3.877 1.00 0.00 N ATOM 491 CA VAL A 31 -5.708 -1.040 2.927 1.00 0.00 C ATOM 492 C VAL A 31 -4.193 -1.284 2.770 1.00 0.00 C ATOM 493 O VAL A 31 -3.398 -0.348 2.921 1.00 0.00 O ATOM 494 CB VAL A 31 -6.391 -0.738 1.537 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.755 0.474 0.819 1.00 0.00 C ATOM 496 CG2 VAL A 31 -6.401 -1.985 0.628 1.00 0.00 C ATOM 0 H VAL A 31 -5.389 0.915 3.597 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.198 -1.935 3.310 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.426 -0.472 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.261 0.640 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.857 1.361 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.698 0.277 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.879 -1.740 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.377 -2.310 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.954 -2.787 1.117 1.00 0.00 H new ATOM 506 N SER A 32 -3.791 -2.531 2.493 1.00 0.00 N ATOM 507 CA SER A 32 -2.372 -2.904 2.411 1.00 0.00 C ATOM 508 C SER A 32 -2.147 -3.959 1.325 1.00 0.00 C ATOM 509 O SER A 32 -2.999 -4.823 1.093 1.00 0.00 O ATOM 510 CB SER A 32 -1.876 -3.422 3.784 1.00 0.00 C ATOM 511 OG SER A 32 -2.655 -4.523 4.241 1.00 0.00 O ATOM 0 H SER A 32 -4.434 -3.304 2.321 1.00 0.00 H new ATOM 0 HA SER A 32 -1.798 -2.017 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.831 -3.723 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.921 -2.615 4.516 1.00 0.00 H new ATOM 0 HG SER A 32 -2.315 -4.827 5.108 1.00 0.00 H new ATOM 517 N LEU A 33 -0.996 -3.860 0.654 1.00 0.00 N ATOM 518 CA LEU A 33 -0.523 -4.848 -0.320 1.00 0.00 C ATOM 519 C LEU A 33 0.708 -5.560 0.246 1.00 0.00 C ATOM 520 O LEU A 33 1.690 -4.919 0.605 1.00 0.00 O ATOM 521 CB LEU A 33 -0.192 -4.160 -1.659 1.00 0.00 C ATOM 522 CG LEU A 33 -1.397 -3.507 -2.393 1.00 0.00 C ATOM 523 CD1 LEU A 33 -0.908 -2.692 -3.600 1.00 0.00 C ATOM 524 CD2 LEU A 33 -2.451 -4.562 -2.809 1.00 0.00 C ATOM 0 H LEU A 33 -0.355 -3.076 0.775 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.305 -5.584 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.559 -3.392 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.260 -4.896 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.889 -2.826 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.762 -2.241 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.232 -1.908 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.383 -3.349 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.278 -4.068 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.993 -5.289 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.825 -5.072 -1.921 1.00 0.00 H new ATOM 536 N ILE A 34 0.636 -6.883 0.316 1.00 0.00 N ATOM 537 CA ILE A 34 1.650 -7.733 0.940 1.00 0.00 C ATOM 538 C ILE A 34 2.623 -8.229 -0.147 1.00 0.00 C ATOM 539 O ILE A 34 2.236 -9.026 -1.015 1.00 0.00 O ATOM 540 CB ILE A 34 0.977 -8.957 1.700 1.00 0.00 C ATOM 541 CG1 ILE A 34 0.134 -8.514 2.957 1.00 0.00 C ATOM 542 CG2 ILE A 34 2.036 -9.996 2.127 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.102 -7.656 2.696 1.00 0.00 C ATOM 0 H ILE A 34 -0.148 -7.411 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 34 2.200 -7.154 1.682 1.00 0.00 H new ATOM 0 HB ILE A 34 0.289 -9.409 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.183 -9.413 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.792 -7.964 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.548 -10.822 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.551 -10.375 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.758 -9.526 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.589 -7.422 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.805 -6.731 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.796 -8.202 2.057 1.00 0.00 H new ATOM 555 N PHE A 35 3.866 -7.720 -0.133 1.00 0.00 N ATOM 556 CA PHE A 35 4.914 -8.118 -1.088 1.00 0.00 C ATOM 557 C PHE A 35 5.797 -9.180 -0.423 1.00 0.00 C ATOM 558 O PHE A 35 6.669 -8.859 0.386 1.00 0.00 O ATOM 559 CB PHE A 35 5.749 -6.880 -1.536 1.00 0.00 C ATOM 560 CG PHE A 35 4.941 -5.823 -2.299 1.00 0.00 C ATOM 561 CD1 PHE A 35 4.095 -4.944 -1.623 1.00 0.00 C ATOM 562 CD2 PHE A 35 5.023 -5.711 -3.685 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.356 -4.002 -2.309 1.00 0.00 C ATOM 564 CE2 PHE A 35 4.284 -4.763 -4.368 1.00 0.00 C ATOM 565 CZ PHE A 35 3.452 -3.911 -3.679 1.00 0.00 C ATOM 0 H PHE A 35 4.173 -7.020 0.542 1.00 0.00 H new ATOM 0 HA PHE A 35 4.462 -8.538 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.193 -6.416 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.571 -7.219 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.017 -5.001 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.674 -6.375 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.701 -3.334 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.360 -4.691 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.874 -3.171 -4.213 1.00 0.00 H new ATOM 575 N THR A 36 5.535 -10.447 -0.745 1.00 0.00 N ATOM 576 CA THR A 36 6.241 -11.591 -0.160 1.00 0.00 C ATOM 577 C THR A 36 7.341 -12.070 -1.122 1.00 0.00 C ATOM 578 O THR A 36 7.047 -12.707 -2.146 1.00 0.00 O ATOM 579 CB THR A 36 5.240 -12.746 0.154 1.00 0.00 C ATOM 580 OG1 THR A 36 4.218 -12.269 1.043 1.00 0.00 O ATOM 581 CG2 THR A 36 5.928 -13.969 0.785 1.00 0.00 C ATOM 0 H THR A 36 4.822 -10.712 -1.424 1.00 0.00 H new ATOM 0 HA THR A 36 6.705 -11.282 0.777 1.00 0.00 H new ATOM 0 HB THR A 36 4.808 -13.064 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.589 -12.995 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.186 -14.742 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.682 -14.356 0.099 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.405 -13.676 1.720 1.00 0.00 H new ATOM 589 N GLN A 37 8.601 -11.728 -0.814 1.00 0.00 N ATOM 590 CA GLN A 37 9.752 -12.225 -1.565 1.00 0.00 C ATOM 591 C GLN A 37 10.076 -13.637 -1.077 1.00 0.00 C ATOM 592 O GLN A 37 10.510 -13.811 0.060 1.00 0.00 O ATOM 593 CB GLN A 37 10.971 -11.285 -1.409 1.00 0.00 C ATOM 594 CG GLN A 37 12.209 -11.724 -2.221 1.00 0.00 C ATOM 595 CD GLN A 37 13.378 -10.742 -2.158 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.568 -10.039 -1.166 1.00 0.00 O ATOM 597 NE2 GLN A 37 14.183 -10.696 -3.210 1.00 0.00 N ATOM 0 H GLN A 37 8.844 -11.105 -0.044 1.00 0.00 H new ATOM 0 HA GLN A 37 9.511 -12.252 -2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.684 -10.280 -1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.242 -11.229 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.544 -12.695 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.918 -11.859 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.000 -11.291 -4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.985 -10.066 -3.211 1.00 0.00 H new ATOM 606 N SER A 38 9.797 -14.632 -1.927 1.00 0.00 N ATOM 607 CA SER A 38 10.015 -16.046 -1.612 1.00 0.00 C ATOM 608 C SER A 38 11.410 -16.504 -2.090 1.00 0.00 C ATOM 609 O SER A 38 12.034 -15.876 -2.962 1.00 0.00 O ATOM 610 CB SER A 38 8.886 -16.894 -2.246 1.00 0.00 C ATOM 611 OG SER A 38 9.004 -18.271 -1.911 1.00 0.00 O ATOM 0 H SER A 38 9.411 -14.476 -2.858 1.00 0.00 H new ATOM 0 HA SER A 38 9.986 -16.186 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.919 -16.520 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.912 -16.781 -3.330 1.00 0.00 H new ATOM 0 HG SER A 38 8.273 -18.773 -2.328 1.00 0.00 H new ATOM 617 N GLY A 39 11.879 -17.598 -1.493 1.00 0.00 N ATOM 618 CA GLY A 39 13.194 -18.160 -1.777 1.00 0.00 C ATOM 619 C GLY A 39 13.424 -19.456 -1.026 1.00 0.00 C ATOM 620 O GLY A 39 12.473 -20.079 -0.536 1.00 0.00 O ATOM 0 H GLY A 39 11.352 -18.122 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.290 -18.338 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.965 -17.439 -1.503 1.00 0.00 H new ATOM 624 N LYS A 40 14.694 -19.860 -0.909 1.00 0.00 N ATOM 625 CA LYS A 40 15.090 -21.072 -0.174 1.00 0.00 C ATOM 626 C LYS A 40 16.431 -20.826 0.529 1.00 0.00 C ATOM 627 O LYS A 40 17.298 -20.128 -0.010 1.00 0.00 O ATOM 628 CB LYS A 40 15.109 -22.303 -1.133 1.00 0.00 C ATOM 629 CG LYS A 40 16.016 -22.202 -2.390 1.00 0.00 C ATOM 630 CD LYS A 40 17.492 -22.586 -2.137 1.00 0.00 C ATOM 631 CE LYS A 40 18.357 -22.491 -3.399 1.00 0.00 C ATOM 632 NZ LYS A 40 19.766 -22.888 -3.150 1.00 0.00 N ATOM 0 H LYS A 40 15.479 -19.356 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 40 14.360 -21.303 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.421 -23.175 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.088 -22.489 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.612 -22.849 -3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.978 -21.182 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.906 -21.933 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.536 -23.603 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.934 -23.129 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.332 -21.469 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.403 -22.261 -3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.974 -22.810 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.909 -23.871 -3.459 1.00 0.00 H new ATOM 646 N ARG A 41 16.587 -21.359 1.750 1.00 0.00 N ATOM 647 CA ARG A 41 17.797 -21.150 2.560 1.00 0.00 C ATOM 648 C ARG A 41 18.663 -22.413 2.549 1.00 0.00 C ATOM 649 O ARG A 41 18.179 -23.508 2.879 1.00 0.00 O ATOM 650 CB ARG A 41 17.424 -20.768 4.019 1.00 0.00 C ATOM 651 CG ARG A 41 18.630 -20.399 4.913 1.00 0.00 C ATOM 652 CD ARG A 41 18.238 -20.055 6.357 1.00 0.00 C ATOM 653 NE ARG A 41 17.324 -18.895 6.447 1.00 0.00 N ATOM 654 CZ ARG A 41 17.519 -17.796 7.201 1.00 0.00 C ATOM 655 NH1 ARG A 41 18.612 -17.667 7.958 1.00 0.00 N ATOM 656 NH2 ARG A 41 16.594 -16.850 7.211 1.00 0.00 N ATOM 0 H ARG A 41 15.883 -21.943 2.202 1.00 0.00 H new ATOM 0 HA ARG A 41 18.364 -20.327 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.734 -19.925 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.892 -21.603 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.333 -21.232 4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.151 -19.548 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.762 -20.922 6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.140 -19.846 6.932 1.00 0.00 H new ATOM 0 HE ARG A 41 16.471 -18.931 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.314 -18.407 7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.745 -16.828 8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.747 -16.959 6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.728 -16.012 7.777 1.00 0.00 H new ATOM 670 N ASP A 42 19.937 -22.246 2.155 1.00 0.00 N ATOM 671 CA ASP A 42 20.971 -23.270 2.327 1.00 0.00 C ATOM 672 C ASP A 42 21.402 -23.262 3.785 1.00 0.00 C ATOM 673 O ASP A 42 22.093 -22.339 4.209 1.00 0.00 O ATOM 674 CB ASP A 42 22.187 -23.004 1.387 1.00 0.00 C ATOM 675 CG ASP A 42 22.011 -23.631 -0.002 1.00 0.00 C ATOM 676 OD1 ASP A 42 21.301 -23.045 -0.839 1.00 0.00 O ATOM 677 OD2 ASP A 42 22.553 -24.730 -0.252 1.00 0.00 O ATOM 0 H ASP A 42 20.275 -21.394 1.708 1.00 0.00 H new ATOM 0 HA ASP A 42 20.571 -24.248 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.330 -21.929 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.091 -23.401 1.848 1.00 0.00 H new ATOM 682 N LEU A 43 20.982 -24.289 4.534 1.00 0.00 N ATOM 683 CA LEU A 43 21.264 -24.428 5.979 1.00 0.00 C ATOM 684 C LEU A 43 22.719 -24.871 6.249 1.00 0.00 C ATOM 685 O LEU A 43 23.142 -24.970 7.403 1.00 0.00 O ATOM 686 CB LEU A 43 20.231 -25.400 6.618 1.00 0.00 C ATOM 687 CG LEU A 43 18.748 -24.905 6.592 1.00 0.00 C ATOM 688 CD1 LEU A 43 17.786 -25.957 7.187 1.00 0.00 C ATOM 689 CD2 LEU A 43 18.608 -23.559 7.322 1.00 0.00 C ATOM 0 H LEU A 43 20.430 -25.059 4.155 1.00 0.00 H new ATOM 0 HA LEU A 43 21.160 -23.449 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.287 -26.357 6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.519 -25.581 7.654 1.00 0.00 H new ATOM 0 HG LEU A 43 18.469 -24.760 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.765 -25.577 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.851 -26.878 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.063 -26.159 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.568 -23.235 7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.921 -23.674 8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.235 -22.813 6.834 1.00 0.00 H new ATOM 701 N THR A 44 23.475 -25.115 5.165 1.00 0.00 N ATOM 702 CA THR A 44 24.903 -25.437 5.230 1.00 0.00 C ATOM 703 C THR A 44 25.718 -24.161 5.568 1.00 0.00 C ATOM 704 O THR A 44 26.641 -24.203 6.380 1.00 0.00 O ATOM 705 CB THR A 44 25.396 -26.113 3.895 1.00 0.00 C ATOM 706 OG1 THR A 44 26.784 -26.472 4.000 1.00 0.00 O ATOM 707 CG2 THR A 44 25.169 -25.226 2.649 1.00 0.00 C ATOM 0 H THR A 44 23.106 -25.093 4.214 1.00 0.00 H new ATOM 0 HA THR A 44 25.064 -26.163 6.027 1.00 0.00 H new ATOM 0 HB THR A 44 24.793 -27.011 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 44 27.077 -26.892 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.529 -25.746 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.105 -25.017 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.713 -24.289 2.766 1.00 0.00 H new ATOM 715 N ASN A 45 25.345 -23.033 4.929 1.00 0.00 N ATOM 716 CA ASN A 45 25.935 -21.699 5.197 1.00 0.00 C ATOM 717 C ASN A 45 25.014 -20.852 6.093 1.00 0.00 C ATOM 718 O ASN A 45 25.480 -19.940 6.791 1.00 0.00 O ATOM 719 CB ASN A 45 26.205 -20.955 3.858 1.00 0.00 C ATOM 720 CG ASN A 45 27.296 -21.593 2.992 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.204 -22.247 3.499 1.00 0.00 O ATOM 722 ND2 ASN A 45 27.230 -21.384 1.687 1.00 0.00 N ATOM 0 H ASN A 45 24.623 -23.019 4.209 1.00 0.00 H new ATOM 0 HA ASN A 45 26.878 -21.847 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 45 25.279 -20.915 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.488 -19.926 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.946 -21.770 1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 45 26.463 -20.836 1.296 1.00 0.00 H new ATOM 729 N GLY A 46 23.713 -21.168 6.063 1.00 0.00 N ATOM 730 CA GLY A 46 22.684 -20.336 6.690 1.00 0.00 C ATOM 731 C GLY A 46 22.265 -19.170 5.793 1.00 0.00 C ATOM 732 O GLY A 46 21.617 -18.225 6.256 1.00 0.00 O ATOM 0 H GLY A 46 23.348 -22.003 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.812 -20.949 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 46 23.059 -19.948 7.637 1.00 0.00 H new ATOM 736 N LYS A 47 22.617 -19.264 4.494 1.00 0.00 N ATOM 737 CA LYS A 47 22.454 -18.164 3.527 1.00 0.00 C ATOM 738 C LYS A 47 21.058 -18.198 2.877 1.00 0.00 C ATOM 739 O LYS A 47 20.517 -19.271 2.596 1.00 0.00 O ATOM 740 CB LYS A 47 23.565 -18.224 2.442 1.00 0.00 C ATOM 741 CG LYS A 47 23.530 -19.475 1.539 1.00 0.00 C ATOM 742 CD LYS A 47 24.541 -19.408 0.376 1.00 0.00 C ATOM 743 CE LYS A 47 24.298 -18.217 -0.565 1.00 0.00 C ATOM 744 NZ LYS A 47 25.359 -18.080 -1.596 1.00 0.00 N ATOM 0 H LYS A 47 23.023 -20.107 4.088 1.00 0.00 H new ATOM 0 HA LYS A 47 22.548 -17.223 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.485 -17.338 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.536 -18.178 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.738 -20.358 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.525 -19.595 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.550 -19.342 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.488 -20.333 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.332 -18.337 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.245 -17.300 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.149 -17.263 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.278 -17.938 -1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.394 -18.943 -2.175 1.00 0.00 H new ATOM 758 N GLU A 48 20.505 -17.004 2.631 1.00 0.00 N ATOM 759 CA GLU A 48 19.152 -16.808 2.099 1.00 0.00 C ATOM 760 C GLU A 48 19.202 -16.536 0.590 1.00 0.00 C ATOM 761 O GLU A 48 19.627 -15.453 0.169 1.00 0.00 O ATOM 762 CB GLU A 48 18.509 -15.620 2.852 1.00 0.00 C ATOM 763 CG GLU A 48 18.331 -15.868 4.358 1.00 0.00 C ATOM 764 CD GLU A 48 17.915 -14.621 5.148 1.00 0.00 C ATOM 765 OE1 GLU A 48 16.720 -14.272 5.151 1.00 0.00 O ATOM 766 OE2 GLU A 48 18.788 -13.973 5.768 1.00 0.00 O ATOM 0 H GLU A 48 20.998 -16.127 2.801 1.00 0.00 H new ATOM 0 HA GLU A 48 18.555 -17.708 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.127 -14.733 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.536 -15.405 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.580 -16.645 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.267 -16.250 4.767 1.00 0.00 H new ATOM 773 N ILE A 49 18.776 -17.526 -0.215 1.00 0.00 N ATOM 774 CA ILE A 49 18.773 -17.427 -1.683 1.00 0.00 C ATOM 775 C ILE A 49 17.394 -16.934 -2.124 1.00 0.00 C ATOM 776 O ILE A 49 16.430 -17.705 -2.177 1.00 0.00 O ATOM 777 CB ILE A 49 19.119 -18.786 -2.437 1.00 0.00 C ATOM 778 CG1 ILE A 49 20.536 -19.339 -2.056 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.005 -18.611 -3.977 1.00 0.00 C ATOM 780 CD1 ILE A 49 20.643 -19.914 -0.656 1.00 0.00 C ATOM 0 H ILE A 49 18.424 -18.417 0.136 1.00 0.00 H new ATOM 0 HA ILE A 49 19.566 -16.731 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 49 18.384 -19.521 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 49 20.813 -20.112 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.264 -18.534 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 49 19.246 -19.553 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 49 17.988 -18.317 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 49 19.701 -17.840 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.659 -20.270 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.402 -19.141 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 49 19.945 -20.744 -0.549 1.00 0.00 H new ATOM 792 N TRP A 50 17.304 -15.631 -2.357 1.00 0.00 N ATOM 793 CA TRP A 50 16.133 -14.983 -2.951 1.00 0.00 C ATOM 794 C TRP A 50 16.288 -14.948 -4.466 1.00 0.00 C ATOM 795 O TRP A 50 17.351 -15.286 -5.002 1.00 0.00 O ATOM 796 CB TRP A 50 16.020 -13.537 -2.392 1.00 0.00 C ATOM 797 CG TRP A 50 16.100 -13.497 -0.887 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.126 -13.029 -0.117 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.130 -14.012 0.016 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.830 -13.203 1.206 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.611 -13.805 1.312 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.899 -14.624 -0.154 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.897 -14.189 2.434 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.193 -15.004 0.952 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.690 -14.787 2.237 1.00 0.00 C ATOM 0 H TRP A 50 18.056 -14.979 -2.135 1.00 0.00 H new ATOM 0 HA TRP A 50 15.230 -15.540 -2.701 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.817 -12.924 -2.812 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.076 -13.098 -2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.036 -12.587 -0.497 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.425 -12.927 1.988 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.504 -14.798 -1.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.283 -14.020 3.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.232 -15.481 0.829 1.00 0.00 H new ATOM 0 HH2 TRP A 50 13.107 -15.099 3.091 1.00 0.00 H new ATOM 816 N ASP A 51 15.226 -14.539 -5.153 1.00 0.00 N ATOM 817 CA ASP A 51 15.323 -14.147 -6.555 1.00 0.00 C ATOM 818 C ASP A 51 15.942 -12.749 -6.592 1.00 0.00 C ATOM 819 O ASP A 51 15.364 -11.809 -6.033 1.00 0.00 O ATOM 820 CB ASP A 51 13.940 -14.142 -7.245 1.00 0.00 C ATOM 821 CG ASP A 51 13.206 -15.473 -7.093 1.00 0.00 C ATOM 822 OD1 ASP A 51 13.636 -16.477 -7.700 1.00 0.00 O ATOM 823 OD2 ASP A 51 12.212 -15.539 -6.346 1.00 0.00 O ATOM 0 H ASP A 51 14.287 -14.470 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 51 15.939 -14.865 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.330 -13.344 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.067 -13.920 -8.304 1.00 0.00 H new ATOM 828 N SER A 52 17.144 -12.636 -7.181 1.00 0.00 N ATOM 829 CA SER A 52 17.825 -11.338 -7.386 1.00 0.00 C ATOM 830 C SER A 52 16.988 -10.436 -8.302 1.00 0.00 C ATOM 831 O SER A 52 16.972 -9.215 -8.153 1.00 0.00 O ATOM 832 CB SER A 52 19.228 -11.564 -7.994 1.00 0.00 C ATOM 833 OG SER A 52 19.985 -12.460 -7.201 1.00 0.00 O ATOM 0 H SER A 52 17.673 -13.436 -7.529 1.00 0.00 H new ATOM 0 HA SER A 52 17.936 -10.845 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.131 -11.960 -9.005 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.752 -10.611 -8.074 1.00 0.00 H new ATOM 0 HG SER A 52 20.868 -12.589 -7.606 1.00 0.00 H new ATOM 839 N LYS A 53 16.266 -11.084 -9.223 1.00 0.00 N ATOM 840 CA LYS A 53 15.422 -10.425 -10.221 1.00 0.00 C ATOM 841 C LYS A 53 13.969 -10.264 -9.723 1.00 0.00 C ATOM 842 O LYS A 53 13.078 -9.973 -10.534 1.00 0.00 O ATOM 843 CB LYS A 53 15.460 -11.259 -11.529 1.00 0.00 C ATOM 844 CG LYS A 53 16.877 -11.458 -12.118 1.00 0.00 C ATOM 845 CD LYS A 53 16.879 -12.348 -13.386 1.00 0.00 C ATOM 846 CE LYS A 53 16.126 -11.715 -14.568 1.00 0.00 C ATOM 847 NZ LYS A 53 16.028 -12.638 -15.736 1.00 0.00 N ATOM 0 H LYS A 53 16.253 -12.101 -9.295 1.00 0.00 H new ATOM 0 HA LYS A 53 15.808 -9.422 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.020 -12.237 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.834 -10.770 -12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.304 -10.485 -12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.520 -11.909 -11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.909 -12.545 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.426 -13.310 -13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.124 -11.431 -14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.635 -10.800 -14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.513 -12.168 -16.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.983 -12.890 -16.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.519 -13.501 -15.455 1.00 0.00 H new ATOM 861 N TRP A 54 13.733 -10.426 -8.396 1.00 0.00 N ATOM 862 CA TRP A 54 12.384 -10.316 -7.815 1.00 0.00 C ATOM 863 C TRP A 54 11.909 -8.852 -7.848 1.00 0.00 C ATOM 864 O TRP A 54 12.618 -7.949 -7.389 1.00 0.00 O ATOM 865 CB TRP A 54 12.340 -10.843 -6.354 1.00 0.00 C ATOM 866 CG TRP A 54 10.963 -10.813 -5.729 1.00 0.00 C ATOM 867 CD1 TRP A 54 9.989 -11.762 -5.839 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.402 -9.768 -4.915 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.878 -11.384 -5.137 1.00 0.00 N ATOM 870 CE2 TRP A 54 9.105 -10.166 -4.565 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.879 -8.538 -4.453 1.00 0.00 C ATOM 872 CZ2 TRP A 54 8.274 -9.381 -3.773 1.00 0.00 C ATOM 873 CZ3 TRP A 54 10.059 -7.766 -3.666 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.769 -8.187 -3.333 1.00 0.00 C ATOM 0 H TRP A 54 14.463 -10.633 -7.715 1.00 0.00 H new ATOM 0 HA TRP A 54 11.718 -10.934 -8.418 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.713 -11.867 -6.337 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.018 -10.247 -5.743 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.082 -12.680 -6.400 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.018 -11.926 -5.054 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.873 -8.201 -4.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.276 -9.703 -3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.418 -6.816 -3.298 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.150 -7.554 -2.714 1.00 0.00 H new ATOM 885 N SER A 55 10.719 -8.657 -8.401 1.00 0.00 N ATOM 886 CA SER A 55 9.985 -7.400 -8.370 1.00 0.00 C ATOM 887 C SER A 55 8.498 -7.723 -8.521 1.00 0.00 C ATOM 888 O SER A 55 8.089 -8.264 -9.552 1.00 0.00 O ATOM 889 CB SER A 55 10.489 -6.453 -9.487 1.00 0.00 C ATOM 890 OG SER A 55 10.311 -7.020 -10.784 1.00 0.00 O ATOM 0 H SER A 55 10.222 -9.395 -8.900 1.00 0.00 H new ATOM 0 HA SER A 55 10.145 -6.880 -7.426 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.954 -5.505 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.545 -6.234 -9.328 1.00 0.00 H new ATOM 0 HG SER A 55 9.482 -7.542 -10.802 1.00 0.00 H new ATOM 896 N LEU A 56 7.694 -7.434 -7.489 1.00 0.00 N ATOM 897 CA LEU A 56 6.256 -7.758 -7.491 1.00 0.00 C ATOM 898 C LEU A 56 5.448 -6.482 -7.752 1.00 0.00 C ATOM 899 O LEU A 56 5.709 -5.456 -7.134 1.00 0.00 O ATOM 900 CB LEU A 56 5.840 -8.395 -6.143 1.00 0.00 C ATOM 901 CG LEU A 56 4.336 -8.796 -6.009 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.931 -9.863 -7.050 1.00 0.00 C ATOM 903 CD2 LEU A 56 4.015 -9.262 -4.572 1.00 0.00 C ATOM 0 H LEU A 56 8.015 -6.974 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 56 6.054 -8.480 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.448 -9.285 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.081 -7.695 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 56 3.741 -7.907 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.878 -10.114 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.092 -9.471 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.537 -10.758 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.962 -9.536 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.631 -10.126 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.225 -8.453 -3.872 1.00 0.00 H new ATOM 915 N THR A 57 4.474 -6.565 -8.669 1.00 0.00 N ATOM 916 CA THR A 57 3.585 -5.451 -9.019 1.00 0.00 C ATOM 917 C THR A 57 2.159 -5.749 -8.508 1.00 0.00 C ATOM 918 O THR A 57 1.538 -6.724 -8.941 1.00 0.00 O ATOM 919 CB THR A 57 3.569 -5.234 -10.573 1.00 0.00 C ATOM 920 OG1 THR A 57 4.916 -5.068 -11.053 1.00 0.00 O ATOM 921 CG2 THR A 57 2.736 -4.004 -10.984 1.00 0.00 C ATOM 0 H THR A 57 4.280 -7.418 -9.194 1.00 0.00 H new ATOM 0 HA THR A 57 3.953 -4.539 -8.548 1.00 0.00 H new ATOM 0 HB THR A 57 3.108 -6.116 -11.017 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.903 -4.934 -12.024 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.756 -3.897 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.706 -4.134 -10.651 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.156 -3.110 -10.523 1.00 0.00 H new ATOM 929 N GLN A 58 1.667 -4.940 -7.561 1.00 0.00 N ATOM 930 CA GLN A 58 0.287 -5.037 -7.040 1.00 0.00 C ATOM 931 C GLN A 58 -0.368 -3.649 -7.089 1.00 0.00 C ATOM 932 O GLN A 58 0.233 -2.672 -6.643 1.00 0.00 O ATOM 933 CB GLN A 58 0.274 -5.572 -5.586 1.00 0.00 C ATOM 934 CG GLN A 58 0.890 -6.965 -5.390 1.00 0.00 C ATOM 935 CD GLN A 58 0.857 -7.416 -3.927 1.00 0.00 C ATOM 936 OE1 GLN A 58 -0.079 -8.074 -3.480 1.00 0.00 O ATOM 937 NE2 GLN A 58 1.863 -7.032 -3.169 1.00 0.00 N ATOM 0 H GLN A 58 2.213 -4.195 -7.129 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.272 -5.737 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.809 -4.865 -4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.758 -5.597 -5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.351 -7.687 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.922 -6.956 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.625 -6.486 -3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.880 -7.280 -2.180 1.00 0.00 H new ATOM 946 N THR A 59 -1.599 -3.576 -7.610 1.00 0.00 N ATOM 947 CA THR A 59 -2.324 -2.308 -7.787 1.00 0.00 C ATOM 948 C THR A 59 -3.073 -1.906 -6.497 1.00 0.00 C ATOM 949 O THR A 59 -3.682 -2.753 -5.839 1.00 0.00 O ATOM 950 CB THR A 59 -3.345 -2.440 -8.968 1.00 0.00 C ATOM 951 OG1 THR A 59 -2.661 -2.915 -10.143 1.00 0.00 O ATOM 952 CG2 THR A 59 -4.054 -1.111 -9.293 1.00 0.00 C ATOM 0 H THR A 59 -2.122 -4.394 -7.922 1.00 0.00 H new ATOM 0 HA THR A 59 -1.595 -1.531 -8.015 1.00 0.00 H new ATOM 0 HB THR A 59 -4.111 -3.149 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.624 -2.199 -10.812 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.749 -1.262 -10.119 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.602 -0.767 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.313 -0.363 -9.575 1.00 0.00 H new ATOM 960 N PHE A 60 -2.979 -0.620 -6.109 1.00 0.00 N ATOM 961 CA PHE A 60 -3.942 -0.003 -5.178 1.00 0.00 C ATOM 962 C PHE A 60 -5.125 0.533 -6.003 1.00 0.00 C ATOM 963 O PHE A 60 -4.994 1.540 -6.711 1.00 0.00 O ATOM 964 CB PHE A 60 -3.324 1.150 -4.342 1.00 0.00 C ATOM 965 CG PHE A 60 -2.531 0.732 -3.109 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.172 0.142 -2.015 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.162 0.949 -3.027 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.461 -0.211 -0.882 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.456 0.593 -1.901 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.101 0.012 -0.829 1.00 0.00 C ATOM 0 H PHE A 60 -2.245 0.012 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.261 -0.764 -4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.669 1.732 -4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.129 1.813 -4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.236 -0.040 -2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.644 1.404 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.969 -0.660 -0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.609 0.769 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.541 -0.268 0.051 1.00 0.00 H new ATOM 980 N GLU A 61 -6.246 -0.182 -5.940 1.00 0.00 N ATOM 981 CA GLU A 61 -7.508 0.194 -6.595 1.00 0.00 C ATOM 982 C GLU A 61 -8.669 -0.258 -5.711 1.00 0.00 C ATOM 983 O GLU A 61 -8.440 -0.722 -4.591 1.00 0.00 O ATOM 984 CB GLU A 61 -7.611 -0.476 -7.991 1.00 0.00 C ATOM 985 CG GLU A 61 -7.537 -2.022 -7.961 1.00 0.00 C ATOM 986 CD GLU A 61 -7.818 -2.663 -9.325 1.00 0.00 C ATOM 987 OE1 GLU A 61 -6.908 -2.707 -10.177 1.00 0.00 O ATOM 988 OE2 GLU A 61 -8.966 -3.103 -9.560 1.00 0.00 O ATOM 0 H GLU A 61 -6.309 -1.059 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.543 1.275 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.551 -0.178 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.808 -0.097 -8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.547 -2.326 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.255 -2.400 -7.233 1.00 0.00 H new ATOM 995 N ALA A 62 -9.910 -0.102 -6.220 1.00 0.00 N ATOM 996 CA ALA A 62 -11.133 -0.668 -5.599 1.00 0.00 C ATOM 997 C ALA A 62 -11.386 -0.129 -4.178 1.00 0.00 C ATOM 998 O ALA A 62 -12.110 -0.745 -3.389 1.00 0.00 O ATOM 999 CB ALA A 62 -11.070 -2.210 -5.617 1.00 0.00 C ATOM 0 H ALA A 62 -10.095 0.421 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.984 -0.343 -6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.972 -2.616 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.997 -2.559 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.197 -2.545 -5.058 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.805 1.039 -3.871 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.935 1.680 -2.568 1.00 0.00 C ATOM 1007 C LEU A 63 -11.966 2.827 -2.720 1.00 0.00 C ATOM 1008 O LEU A 63 -11.702 3.786 -3.445 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.535 2.187 -2.094 1.00 0.00 C ATOM 1010 CG LEU A 63 -9.328 2.381 -0.553 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -10.253 3.471 0.042 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -9.490 1.038 0.199 1.00 0.00 C ATOM 0 H LEU A 63 -10.229 1.564 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.290 0.987 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.783 1.483 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.337 3.140 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.306 2.733 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.066 3.562 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.051 4.425 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.294 3.194 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.342 1.199 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.491 0.643 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.751 0.325 -0.167 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.155 2.733 -2.050 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.216 3.759 -2.142 1.00 0.00 C ATOM 1026 C PRO A 64 -14.021 4.935 -1.148 1.00 0.00 C ATOM 1027 O PRO A 64 -12.937 5.125 -0.584 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.475 2.924 -1.806 1.00 0.00 C ATOM 1029 CG PRO A 64 -15.003 1.939 -0.780 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.573 1.605 -1.163 1.00 0.00 C ATOM 0 HA PRO A 64 -14.247 4.260 -3.110 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.276 3.552 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.866 2.421 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.051 2.364 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.627 1.045 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.933 1.532 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.513 0.648 -1.681 1.00 0.00 H new ATOM 1038 N SER A 65 -15.085 5.727 -0.982 1.00 0.00 N ATOM 1039 CA SER A 65 -15.180 6.786 0.035 1.00 0.00 C ATOM 1040 C SER A 65 -16.678 7.059 0.296 1.00 0.00 C ATOM 1041 O SER A 65 -17.477 6.917 -0.643 1.00 0.00 O ATOM 1042 CB SER A 65 -14.469 8.090 -0.439 1.00 0.00 C ATOM 1043 OG SER A 65 -15.198 8.735 -1.463 1.00 0.00 O ATOM 0 H SER A 65 -15.922 5.651 -1.560 1.00 0.00 H new ATOM 0 HA SER A 65 -14.683 6.461 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.349 8.768 0.406 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.469 7.850 -0.799 1.00 0.00 H new ATOM 0 HG SER A 65 -15.136 9.706 -1.347 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.099 7.429 1.551 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.505 7.801 1.829 1.00 0.00 C ATOM 1051 C PRO A 66 -18.926 8.992 0.949 1.00 0.00 C ATOM 1052 O PRO A 66 -18.321 10.068 1.025 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.495 8.177 3.342 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.056 8.424 3.682 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.267 7.510 2.773 1.00 0.00 C ATOM 0 HA PRO A 66 -19.216 7.005 1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.101 9.063 3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.910 7.372 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.787 9.468 3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.856 8.203 4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.278 7.915 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.119 6.528 3.223 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.936 8.782 0.091 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.426 9.838 -0.799 1.00 0.00 C ATOM 1065 C VAL A 67 -21.275 10.787 0.043 1.00 0.00 C ATOM 1066 O VAL A 67 -22.403 10.458 0.415 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.272 9.267 -2.000 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -21.596 10.380 -3.028 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.555 8.068 -2.665 1.00 0.00 C ATOM 0 H VAL A 67 -20.426 7.892 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.576 10.355 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.219 8.901 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -22.180 9.960 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.169 11.170 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -20.667 10.794 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.161 7.694 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.585 8.389 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.414 7.275 -1.930 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.714 11.957 0.357 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.367 12.937 1.217 1.00 0.00 C ATOM 1081 C ILE A 68 -22.118 13.928 0.331 1.00 0.00 C ATOM 1082 O ILE A 68 -21.506 14.588 -0.518 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.337 13.665 2.156 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.484 12.605 2.931 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.070 14.616 3.136 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.530 13.159 3.962 1.00 0.00 C ATOM 0 H ILE A 68 -19.796 12.248 0.021 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.071 12.430 1.877 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.666 14.270 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.163 11.911 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -18.911 12.027 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.340 15.110 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.623 15.366 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.763 14.041 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.991 12.339 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.819 13.828 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -19.090 13.711 4.717 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.448 13.988 0.509 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.335 14.792 -0.325 1.00 0.00 C ATOM 1100 C ILE A 69 -24.076 16.288 -0.071 1.00 0.00 C ATOM 1101 O ILE A 69 -23.985 16.727 1.084 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.843 14.425 -0.069 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.084 12.884 -0.229 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.781 15.216 -1.008 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.802 12.323 -1.619 1.00 0.00 C ATOM 0 H ILE A 69 -23.934 13.473 1.243 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.123 14.574 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.076 14.705 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.458 12.358 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.120 12.666 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.816 14.940 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.651 16.285 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.539 14.983 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.999 11.251 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.447 12.815 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.759 12.502 -1.879 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.938 17.050 -1.164 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.596 18.463 -1.094 1.00 0.00 C ATOM 1119 C GLY A 70 -22.104 18.702 -0.937 1.00 0.00 C ATOM 1120 O GLY A 70 -21.700 19.828 -0.638 1.00 0.00 O ATOM 0 H GLY A 70 -24.061 16.700 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.946 18.962 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.122 18.918 -0.255 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.279 17.644 -1.141 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.806 17.723 -1.055 1.00 0.00 C ATOM 1126 C TYR A 71 -19.142 16.943 -2.204 1.00 0.00 C ATOM 1127 O TYR A 71 -19.676 15.943 -2.689 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.300 17.193 0.319 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.649 18.107 1.508 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -20.849 17.968 2.210 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -18.778 19.119 1.913 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -21.162 18.801 3.264 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -19.087 19.953 2.967 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.280 19.789 3.640 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.587 20.616 4.695 1.00 0.00 O ATOM 0 H TYR A 71 -21.622 16.711 -1.370 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.526 18.772 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.726 16.205 0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.218 17.070 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -21.545 17.194 1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.842 19.252 1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -22.096 18.679 3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -18.399 20.730 3.264 1.00 0.00 H new ATOM 0 HH TYR A 71 -19.859 21.257 4.831 1.00 0.00 H new ATOM 1145 N THR A 72 -17.966 17.436 -2.616 1.00 0.00 N ATOM 1146 CA THR A 72 -17.125 16.875 -3.683 1.00 0.00 C ATOM 1147 C THR A 72 -15.868 16.287 -3.027 1.00 0.00 C ATOM 1148 O THR A 72 -15.202 17.002 -2.281 1.00 0.00 O ATOM 1149 CB THR A 72 -16.666 18.009 -4.683 1.00 0.00 C ATOM 1150 OG1 THR A 72 -17.748 18.897 -4.984 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.132 17.449 -6.004 1.00 0.00 C ATOM 0 H THR A 72 -17.557 18.272 -2.197 1.00 0.00 H new ATOM 0 HA THR A 72 -17.690 16.121 -4.231 1.00 0.00 H new ATOM 0 HB THR A 72 -15.862 18.543 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.542 18.375 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.831 18.272 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.272 16.809 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.912 16.867 -6.494 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.533 15.020 -3.291 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.304 14.401 -2.753 1.00 0.00 C ATOM 1161 C ALA A 73 -13.141 14.600 -3.738 1.00 0.00 C ATOM 1162 O ALA A 73 -13.355 14.575 -4.956 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.549 12.916 -2.470 1.00 0.00 C ATOM 0 H ALA A 73 -16.092 14.397 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.035 14.884 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.639 12.466 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.352 12.812 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.831 12.411 -3.394 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.917 14.809 -3.200 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.670 14.936 -4.020 1.00 0.00 C ATOM 1171 C ASP A 74 -10.427 13.669 -4.847 1.00 0.00 C ATOM 1172 O ASP A 74 -9.946 13.727 -5.982 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.433 15.225 -3.119 1.00 0.00 C ATOM 1174 CG ASP A 74 -9.269 16.714 -2.789 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -10.192 17.290 -2.207 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.218 17.317 -3.122 1.00 0.00 O ATOM 0 H ASP A 74 -11.757 14.895 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.809 15.777 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.526 14.661 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.533 14.868 -3.620 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.747 12.534 -4.229 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.797 11.235 -4.883 1.00 0.00 C ATOM 1183 C LYS A 75 -11.911 10.415 -4.211 1.00 0.00 C ATOM 1184 O LYS A 75 -11.716 9.873 -3.117 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.417 10.485 -4.886 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.667 10.380 -3.528 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.759 11.588 -3.209 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.633 11.775 -4.248 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.632 12.786 -3.806 1.00 0.00 N ATOM 0 H LYS A 75 -10.983 12.495 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.022 11.376 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.581 9.475 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.761 10.986 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.400 10.270 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.060 9.475 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.365 12.493 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.318 11.456 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.134 10.821 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.065 12.084 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.980 12.995 -4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.122 13.658 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.094 12.412 -2.998 1.00 0.00 H new ATOM 1203 N PRO A 76 -13.141 10.366 -4.831 1.00 0.00 N ATOM 1204 CA PRO A 76 -14.258 9.524 -4.324 1.00 0.00 C ATOM 1205 C PRO A 76 -13.975 8.004 -4.479 1.00 0.00 C ATOM 1206 O PRO A 76 -14.722 7.171 -3.964 1.00 0.00 O ATOM 1207 CB PRO A 76 -15.453 9.982 -5.197 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.824 10.448 -6.468 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.552 11.141 -6.041 1.00 0.00 C ATOM 0 HA PRO A 76 -14.430 9.648 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -16.152 9.165 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -16.015 10.782 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.614 9.612 -7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.482 11.128 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.791 11.106 -6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.723 12.192 -5.809 1.00 0.00 H new ATOM 1217 N MET A 77 -12.882 7.684 -5.179 1.00 0.00 N ATOM 1218 CA MET A 77 -12.342 6.337 -5.323 1.00 0.00 C ATOM 1219 C MET A 77 -10.811 6.460 -5.337 1.00 0.00 C ATOM 1220 O MET A 77 -10.233 6.954 -6.316 1.00 0.00 O ATOM 1221 CB MET A 77 -12.869 5.690 -6.631 1.00 0.00 C ATOM 1222 CG MET A 77 -12.308 4.301 -6.948 1.00 0.00 C ATOM 1223 SD MET A 77 -12.918 3.662 -8.526 1.00 0.00 S ATOM 1224 CE MET A 77 -12.069 2.085 -8.636 1.00 0.00 C ATOM 0 H MET A 77 -12.333 8.384 -5.677 1.00 0.00 H new ATOM 0 HA MET A 77 -12.656 5.696 -4.499 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.955 5.619 -6.570 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.639 6.355 -7.464 1.00 0.00 H new ATOM 0 HG2 MET A 77 -11.219 4.348 -6.973 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.579 3.611 -6.149 1.00 0.00 H new ATOM 0 HE1 MET A 77 -12.352 1.583 -9.561 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.992 2.250 -8.628 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.346 1.462 -7.786 1.00 0.00 H new ATOM 1234 N VAL A 78 -10.170 6.069 -4.225 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.711 6.142 -4.077 1.00 0.00 C ATOM 1236 C VAL A 78 -8.059 4.996 -4.870 1.00 0.00 C ATOM 1237 O VAL A 78 -8.227 3.819 -4.533 1.00 0.00 O ATOM 1238 CB VAL A 78 -8.261 6.097 -2.563 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.732 6.322 -2.425 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -9.063 7.118 -1.710 1.00 0.00 C ATOM 0 H VAL A 78 -10.648 5.694 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.379 7.101 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.482 5.101 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.452 6.286 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.199 5.542 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.469 7.296 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.732 7.065 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.895 8.124 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.126 6.882 -1.764 1.00 0.00 H new ATOM 1250 N GLY A 79 -7.353 5.355 -5.945 1.00 0.00 N ATOM 1251 CA GLY A 79 -6.673 4.393 -6.795 1.00 0.00 C ATOM 1252 C GLY A 79 -5.384 4.964 -7.359 1.00 0.00 C ATOM 1253 O GLY A 79 -5.365 5.393 -8.521 1.00 0.00 O ATOM 0 H GLY A 79 -7.241 6.323 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.453 3.491 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.331 4.099 -7.613 1.00 0.00 H new ATOM 1257 N PRO A 80 -4.264 5.006 -6.551 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.929 5.450 -7.043 1.00 0.00 C ATOM 1259 C PRO A 80 -2.259 4.438 -8.005 1.00 0.00 C ATOM 1260 O PRO A 80 -1.140 4.686 -8.476 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.121 5.623 -5.738 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.744 4.673 -4.764 1.00 0.00 C ATOM 1263 CD PRO A 80 -4.220 4.666 -5.094 1.00 0.00 C ATOM 0 HA PRO A 80 -2.994 6.358 -7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.067 5.393 -5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.173 6.650 -5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.316 3.675 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.573 4.996 -3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.669 3.692 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.767 5.396 -4.497 1.00 0.00 H new ATOM 1271 N ASP A 81 -2.948 3.302 -8.259 1.00 0.00 N ATOM 1272 CA ASP A 81 -2.593 2.308 -9.295 1.00 0.00 C ATOM 1273 C ASP A 81 -1.391 1.416 -8.875 1.00 0.00 C ATOM 1274 O ASP A 81 -1.109 1.270 -7.677 1.00 0.00 O ATOM 1275 CB ASP A 81 -2.380 2.986 -10.693 1.00 0.00 C ATOM 1276 CG ASP A 81 -3.641 3.696 -11.212 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -4.621 3.004 -11.561 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -3.658 4.950 -11.275 1.00 0.00 O ATOM 0 H ASP A 81 -3.786 3.046 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.443 1.634 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.566 3.708 -10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.072 2.230 -11.415 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.735 0.794 -9.886 1.00 0.00 N ATOM 1284 CA GLU A 82 0.327 -0.224 -9.724 1.00 0.00 C ATOM 1285 C GLU A 82 1.486 0.256 -8.820 1.00 0.00 C ATOM 1286 O GLU A 82 2.025 1.350 -9.013 1.00 0.00 O ATOM 1287 CB GLU A 82 0.884 -0.671 -11.117 1.00 0.00 C ATOM 1288 CG GLU A 82 -0.106 -1.472 -12.012 1.00 0.00 C ATOM 1289 CD GLU A 82 -1.237 -0.640 -12.662 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -2.292 -0.444 -12.030 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -1.085 -0.199 -13.824 1.00 0.00 O ATOM 0 H GLU A 82 -0.938 0.995 -10.865 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.137 -1.077 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.202 0.217 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.773 -1.280 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.462 -1.962 -12.803 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.558 -2.259 -11.409 1.00 0.00 H new ATOM 1298 N VAL A 83 1.819 -0.578 -7.824 1.00 0.00 N ATOM 1299 CA VAL A 83 2.996 -0.428 -6.950 1.00 0.00 C ATOM 1300 C VAL A 83 3.922 -1.626 -7.196 1.00 0.00 C ATOM 1301 O VAL A 83 3.570 -2.763 -6.856 1.00 0.00 O ATOM 1302 CB VAL A 83 2.590 -0.368 -5.416 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.824 -0.451 -4.481 1.00 0.00 C ATOM 1304 CG2 VAL A 83 1.771 0.898 -5.106 1.00 0.00 C ATOM 0 H VAL A 83 1.261 -1.401 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 83 3.497 0.511 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 83 1.969 -1.242 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.497 -0.406 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.350 -1.389 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.493 0.384 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.508 0.911 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.363 1.782 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.861 0.899 -5.706 1.00 0.00 H new ATOM 1314 N THR A 84 5.076 -1.382 -7.828 1.00 0.00 N ATOM 1315 CA THR A 84 6.111 -2.398 -7.999 1.00 0.00 C ATOM 1316 C THR A 84 7.176 -2.194 -6.906 1.00 0.00 C ATOM 1317 O THR A 84 7.637 -1.072 -6.689 1.00 0.00 O ATOM 1318 CB THR A 84 6.769 -2.326 -9.422 1.00 0.00 C ATOM 1319 OG1 THR A 84 5.748 -2.264 -10.436 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.686 -3.535 -9.701 1.00 0.00 C ATOM 0 H THR A 84 5.314 -0.477 -8.233 1.00 0.00 H new ATOM 0 HA THR A 84 5.657 -3.385 -7.909 1.00 0.00 H new ATOM 0 HB THR A 84 7.381 -1.424 -9.447 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.466 -3.172 -10.673 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.119 -3.441 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.485 -3.565 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.103 -4.454 -9.644 1.00 0.00 H new ATOM 1328 N VAL A 85 7.505 -3.271 -6.186 1.00 0.00 N ATOM 1329 CA VAL A 85 8.584 -3.293 -5.188 1.00 0.00 C ATOM 1330 C VAL A 85 9.581 -4.382 -5.607 1.00 0.00 C ATOM 1331 O VAL A 85 9.214 -5.561 -5.676 1.00 0.00 O ATOM 1332 CB VAL A 85 8.028 -3.546 -3.725 1.00 0.00 C ATOM 1333 CG1 VAL A 85 9.165 -3.757 -2.697 1.00 0.00 C ATOM 1334 CG2 VAL A 85 7.094 -2.390 -3.275 1.00 0.00 C ATOM 0 H VAL A 85 7.024 -4.165 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 85 9.079 -2.322 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 85 7.447 -4.467 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.736 -3.927 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.762 -4.622 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.800 -2.871 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.727 -2.590 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.648 -1.452 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.250 -2.316 -3.961 1.00 0.00 H new ATOM 1344 N ASP A 86 10.817 -3.968 -5.949 1.00 0.00 N ATOM 1345 CA ASP A 86 11.913 -4.879 -6.311 1.00 0.00 C ATOM 1346 C ASP A 86 12.718 -5.255 -5.069 1.00 0.00 C ATOM 1347 O ASP A 86 12.510 -4.692 -3.991 1.00 0.00 O ATOM 1348 CB ASP A 86 12.831 -4.265 -7.417 1.00 0.00 C ATOM 1349 CG ASP A 86 13.523 -2.944 -7.025 1.00 0.00 C ATOM 1350 OD1 ASP A 86 14.487 -2.966 -6.232 1.00 0.00 O ATOM 1351 OD2 ASP A 86 13.136 -1.875 -7.542 1.00 0.00 O ATOM 0 H ASP A 86 11.082 -2.983 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 86 11.476 -5.786 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.596 -4.995 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.233 -4.093 -8.312 1.00 0.00 H new ATOM 1356 N SER A 87 13.652 -6.195 -5.261 1.00 0.00 N ATOM 1357 CA SER A 87 14.478 -6.785 -4.185 1.00 0.00 C ATOM 1358 C SER A 87 15.339 -5.743 -3.438 1.00 0.00 C ATOM 1359 O SER A 87 15.632 -5.913 -2.250 1.00 0.00 O ATOM 1360 CB SER A 87 15.394 -7.878 -4.772 1.00 0.00 C ATOM 1361 OG SER A 87 14.651 -8.840 -5.495 1.00 0.00 O ATOM 0 H SER A 87 13.863 -6.578 -6.183 1.00 0.00 H new ATOM 0 HA SER A 87 13.787 -7.210 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.135 -7.421 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.940 -8.368 -3.966 1.00 0.00 H new ATOM 0 HG SER A 87 14.130 -8.393 -6.194 1.00 0.00 H new ATOM 1367 N LYS A 88 15.739 -4.672 -4.139 1.00 0.00 N ATOM 1368 CA LYS A 88 16.646 -3.641 -3.591 1.00 0.00 C ATOM 1369 C LYS A 88 15.860 -2.617 -2.749 1.00 0.00 C ATOM 1370 O LYS A 88 16.347 -2.161 -1.703 1.00 0.00 O ATOM 1371 CB LYS A 88 17.455 -2.933 -4.720 1.00 0.00 C ATOM 1372 CG LYS A 88 18.355 -3.869 -5.581 1.00 0.00 C ATOM 1373 CD LYS A 88 17.600 -4.627 -6.717 1.00 0.00 C ATOM 1374 CE LYS A 88 17.504 -3.841 -8.046 1.00 0.00 C ATOM 1375 NZ LYS A 88 16.839 -2.516 -7.910 1.00 0.00 N ATOM 0 H LYS A 88 15.446 -4.492 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 88 17.363 -4.141 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.755 -2.422 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 88 18.084 -2.167 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 88 19.154 -3.276 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.828 -4.600 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.104 -5.575 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.593 -4.864 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.508 -3.695 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.956 -4.440 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.535 -2.182 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.010 -2.606 -7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.507 -1.833 -7.499 1.00 0.00 H new ATOM 1389 N ASN A 89 14.637 -2.255 -3.199 1.00 0.00 N ATOM 1390 CA ASN A 89 13.742 -1.354 -2.417 1.00 0.00 C ATOM 1391 C ASN A 89 12.767 -2.182 -1.565 1.00 0.00 C ATOM 1392 O ASN A 89 11.856 -1.632 -0.948 1.00 0.00 O ATOM 1393 CB ASN A 89 12.985 -0.335 -3.333 1.00 0.00 C ATOM 1394 CG ASN A 89 11.698 -0.859 -3.994 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.726 -1.399 -5.080 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.559 -0.669 -3.339 1.00 0.00 N ATOM 0 H ASN A 89 14.245 -2.566 -4.088 1.00 0.00 H new ATOM 0 HA ASN A 89 14.366 -0.761 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.734 0.543 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.666 -0.005 -4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.678 -0.980 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.565 -0.212 -2.427 1.00 0.00 H new ATOM 1403 N PHE A 90 12.993 -3.510 -1.513 1.00 0.00 N ATOM 1404 CA PHE A 90 12.192 -4.451 -0.710 1.00 0.00 C ATOM 1405 C PHE A 90 12.300 -4.150 0.796 1.00 0.00 C ATOM 1406 O PHE A 90 11.420 -4.515 1.562 1.00 0.00 O ATOM 1407 CB PHE A 90 12.621 -5.912 -1.010 1.00 0.00 C ATOM 1408 CG PHE A 90 11.909 -6.962 -0.164 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.552 -7.223 -0.352 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.581 -7.655 0.840 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.896 -8.147 0.422 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.923 -8.580 1.612 1.00 0.00 C ATOM 1413 CZ PHE A 90 10.578 -8.822 1.407 1.00 0.00 C ATOM 0 H PHE A 90 13.745 -3.962 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 90 11.147 -4.325 -0.992 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.435 -6.124 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.696 -6.002 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.009 -6.690 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.630 -7.463 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.847 -8.344 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.457 -9.119 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.061 -9.543 2.022 1.00 0.00 H new ATOM 1423 N LEU A 91 13.399 -3.506 1.202 1.00 0.00 N ATOM 1424 CA LEU A 91 13.628 -3.109 2.600 1.00 0.00 C ATOM 1425 C LEU A 91 12.785 -1.861 2.948 1.00 0.00 C ATOM 1426 O LEU A 91 12.500 -1.603 4.125 1.00 0.00 O ATOM 1427 CB LEU A 91 15.144 -2.865 2.856 1.00 0.00 C ATOM 1428 CG LEU A 91 16.106 -4.102 2.669 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.572 -5.365 3.401 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.409 -4.401 1.171 1.00 0.00 C ATOM 0 H LEU A 91 14.157 -3.244 0.572 1.00 0.00 H new ATOM 0 HA LEU A 91 13.309 -3.920 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.478 -2.071 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.261 -2.495 3.874 1.00 0.00 H new ATOM 0 HG LEU A 91 17.053 -3.827 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.263 -6.194 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.485 -5.158 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.593 -5.630 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 91 17.075 -5.261 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.478 -4.618 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.887 -3.533 0.716 1.00 0.00 H new ATOM 1442 N ASP A 92 12.382 -1.112 1.902 1.00 0.00 N ATOM 1443 CA ASP A 92 11.505 0.067 2.017 1.00 0.00 C ATOM 1444 C ASP A 92 10.039 -0.309 1.737 1.00 0.00 C ATOM 1445 O ASP A 92 9.704 -0.760 0.631 1.00 0.00 O ATOM 1446 CB ASP A 92 11.928 1.181 1.017 1.00 0.00 C ATOM 1447 CG ASP A 92 13.347 1.719 1.253 1.00 0.00 C ATOM 1448 OD1 ASP A 92 14.323 1.033 0.867 1.00 0.00 O ATOM 1449 OD2 ASP A 92 13.499 2.833 1.826 1.00 0.00 O ATOM 0 H ASP A 92 12.661 -1.313 0.942 1.00 0.00 H new ATOM 0 HA ASP A 92 11.602 0.438 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 92 11.862 0.789 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.220 2.007 1.087 1.00 0.00 H new ATOM 1454 N LYS A 93 9.169 -0.119 2.741 1.00 0.00 N ATOM 1455 CA LYS A 93 7.712 -0.108 2.540 1.00 0.00 C ATOM 1456 C LYS A 93 7.304 1.291 2.092 1.00 0.00 C ATOM 1457 O LYS A 93 7.667 2.291 2.725 1.00 0.00 O ATOM 1458 CB LYS A 93 6.960 -0.529 3.828 1.00 0.00 C ATOM 1459 CG LYS A 93 7.333 0.265 5.090 1.00 0.00 C ATOM 1460 CD LYS A 93 6.738 -0.342 6.378 1.00 0.00 C ATOM 1461 CE LYS A 93 7.159 0.422 7.635 1.00 0.00 C ATOM 1462 NZ LYS A 93 6.647 1.812 7.629 1.00 0.00 N ATOM 0 H LYS A 93 9.453 0.030 3.709 1.00 0.00 H new ATOM 0 HA LYS A 93 7.442 -0.834 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.889 -0.425 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.151 -1.586 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.418 0.305 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.984 1.292 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.650 -0.345 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.054 -1.381 6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.789 -0.098 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.247 0.435 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.149 2.370 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.803 2.235 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.629 1.808 7.842 1.00 0.00 H new ATOM 1476 N GLN A 94 6.571 1.362 0.984 1.00 0.00 N ATOM 1477 CA GLN A 94 6.108 2.630 0.405 1.00 0.00 C ATOM 1478 C GLN A 94 4.767 3.032 1.065 1.00 0.00 C ATOM 1479 O GLN A 94 3.837 3.468 0.380 1.00 0.00 O ATOM 1480 CB GLN A 94 5.959 2.478 -1.143 1.00 0.00 C ATOM 1481 CG GLN A 94 7.112 1.725 -1.850 1.00 0.00 C ATOM 1482 CD GLN A 94 7.010 1.746 -3.382 1.00 0.00 C ATOM 1483 OE1 GLN A 94 5.928 1.862 -3.941 1.00 0.00 O ATOM 1484 NE2 GLN A 94 8.131 1.602 -4.071 1.00 0.00 N ATOM 0 H GLN A 94 6.277 0.540 0.456 1.00 0.00 H new ATOM 0 HA GLN A 94 6.836 3.419 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.025 1.956 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.874 3.472 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.062 2.168 -1.551 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.122 0.690 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.021 1.507 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.105 1.586 -5.091 1.00 0.00 H new ATOM 1493 N ASN A 95 4.666 2.869 2.403 1.00 0.00 N ATOM 1494 CA ASN A 95 3.418 3.110 3.138 1.00 0.00 C ATOM 1495 C ASN A 95 3.013 4.598 3.045 1.00 0.00 C ATOM 1496 O ASN A 95 3.772 5.499 3.415 1.00 0.00 O ATOM 1497 CB ASN A 95 3.501 2.621 4.619 1.00 0.00 C ATOM 1498 CG ASN A 95 4.626 3.248 5.452 1.00 0.00 C ATOM 1499 OD1 ASN A 95 5.718 3.502 4.959 1.00 0.00 O ATOM 1500 ND2 ASN A 95 4.375 3.489 6.730 1.00 0.00 N ATOM 0 H ASN A 95 5.442 2.570 2.993 1.00 0.00 H new ATOM 0 HA ASN A 95 2.635 2.517 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.549 2.830 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.629 1.539 4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.098 3.894 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.458 3.270 7.120 1.00 0.00 H new ATOM 1507 N ARG A 96 1.815 4.820 2.507 1.00 0.00 N ATOM 1508 CA ARG A 96 1.279 6.145 2.186 1.00 0.00 C ATOM 1509 C ARG A 96 0.070 6.441 3.083 1.00 0.00 C ATOM 1510 O ARG A 96 -0.666 5.530 3.451 1.00 0.00 O ATOM 1511 CB ARG A 96 0.859 6.153 0.691 1.00 0.00 C ATOM 1512 CG ARG A 96 0.461 7.529 0.115 1.00 0.00 C ATOM 1513 CD ARG A 96 1.640 8.509 0.102 1.00 0.00 C ATOM 1514 NE ARG A 96 2.811 7.947 -0.605 1.00 0.00 N ATOM 1515 CZ ARG A 96 3.957 8.593 -0.858 1.00 0.00 C ATOM 1516 NH1 ARG A 96 4.132 9.845 -0.469 1.00 0.00 N ATOM 1517 NH2 ARG A 96 4.951 7.950 -1.454 1.00 0.00 N ATOM 0 H ARG A 96 1.171 4.063 2.275 1.00 0.00 H new ATOM 0 HA ARG A 96 2.032 6.913 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.684 5.757 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.019 5.470 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.084 7.402 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.352 7.948 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.336 9.438 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.918 8.757 1.126 1.00 0.00 H new ATOM 0 HE ARG A 96 2.740 6.982 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.389 10.332 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.010 10.323 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.840 6.971 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.827 8.435 -1.650 1.00 0.00 H new ATOM 1531 N GLU A 97 -0.113 7.701 3.471 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.315 8.136 4.190 1.00 0.00 C ATOM 1533 C GLU A 97 -2.069 9.138 3.316 1.00 0.00 C ATOM 1534 O GLU A 97 -1.580 10.248 3.089 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.951 8.756 5.566 1.00 0.00 C ATOM 1536 CG GLU A 97 -2.160 9.258 6.377 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.770 9.935 7.700 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.261 11.077 7.655 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -1.966 9.333 8.777 1.00 0.00 O ATOM 0 H GLU A 97 0.561 8.447 3.299 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.952 7.274 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.417 8.012 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.265 9.588 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.727 9.964 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.820 8.417 6.589 1.00 0.00 H new ATOM 1546 N GLU A 98 -3.233 8.731 2.799 1.00 0.00 N ATOM 1547 CA GLU A 98 -4.111 9.614 2.019 1.00 0.00 C ATOM 1548 C GLU A 98 -5.158 10.274 2.923 1.00 0.00 C ATOM 1549 O GLU A 98 -5.443 9.813 4.028 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.801 8.842 0.846 1.00 0.00 C ATOM 1551 CG GLU A 98 -4.004 8.826 -0.474 1.00 0.00 C ATOM 1552 CD GLU A 98 -3.797 10.236 -1.066 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -4.739 10.785 -1.680 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -2.692 10.813 -0.925 1.00 0.00 O ATOM 0 H GLU A 98 -3.594 7.783 2.908 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.490 10.396 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.977 7.813 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.777 9.290 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.032 8.364 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.527 8.205 -1.201 1.00 0.00 H new ATOM 1561 N THR A 99 -5.639 11.414 2.446 1.00 0.00 N ATOM 1562 CA THR A 99 -6.738 12.166 3.029 1.00 0.00 C ATOM 1563 C THR A 99 -7.570 12.746 1.884 1.00 0.00 C ATOM 1564 O THR A 99 -7.101 13.651 1.185 1.00 0.00 O ATOM 1565 CB THR A 99 -6.219 13.304 3.977 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.477 12.719 5.054 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.348 14.177 4.560 1.00 0.00 C ATOM 0 H THR A 99 -5.258 11.856 1.609 1.00 0.00 H new ATOM 0 HA THR A 99 -7.349 11.505 3.643 1.00 0.00 H new ATOM 0 HB THR A 99 -5.591 13.957 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.149 13.426 5.648 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.919 14.943 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.896 14.653 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.028 13.553 5.140 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.777 12.198 1.647 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.700 12.792 0.661 1.00 0.00 C ATOM 1577 C VAL A 100 -10.385 14.000 1.340 1.00 0.00 C ATOM 1578 O VAL A 100 -10.728 13.930 2.539 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.771 11.762 0.092 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -10.143 10.372 -0.140 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -12.038 11.646 0.961 1.00 0.00 C ATOM 0 H VAL A 100 -9.131 11.363 2.114 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.128 13.105 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.091 12.171 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.900 9.691 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.328 10.456 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.757 9.985 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.723 10.927 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.764 11.310 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.525 12.619 1.026 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.530 15.117 0.615 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.188 16.323 1.153 1.00 0.00 C ATOM 1593 C ILE A 101 -12.555 16.518 0.481 1.00 0.00 C ATOM 1594 O ILE A 101 -12.659 16.538 -0.755 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.274 17.603 1.012 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.967 17.451 1.863 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -11.028 18.897 1.384 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.180 17.309 3.372 1.00 0.00 C ATOM 0 H ILE A 101 -10.202 15.214 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.349 16.179 2.221 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.993 17.686 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.421 16.578 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.333 18.319 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.361 19.752 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.888 19.019 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.369 18.835 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.214 17.210 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.694 18.192 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.783 16.424 3.573 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.595 16.563 1.323 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.968 16.869 0.933 1.00 0.00 C ATOM 1612 C TYR A 102 -15.190 18.381 0.998 1.00 0.00 C ATOM 1613 O TYR A 102 -15.295 18.959 2.086 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.965 16.135 1.861 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.838 14.610 1.824 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.399 13.869 0.783 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -15.145 13.915 2.816 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.274 12.499 0.741 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -15.017 12.549 2.772 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.581 11.845 1.737 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.446 10.483 1.691 1.00 0.00 O ATOM 0 H TYR A 102 -13.497 16.382 2.322 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.138 16.527 -0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.814 16.478 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.981 16.412 1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -16.939 14.378 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.701 14.462 3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -16.717 11.939 -0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.475 12.030 3.549 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.311 10.076 1.476 1.00 0.00 H new ATOM 1631 N SER A 103 -15.255 19.008 -0.172 1.00 0.00 N ATOM 1632 CA SER A 103 -15.486 20.444 -0.310 1.00 0.00 C ATOM 1633 C SER A 103 -16.859 20.646 -0.950 1.00 0.00 C ATOM 1634 O SER A 103 -17.146 20.023 -1.962 1.00 0.00 O ATOM 1635 CB SER A 103 -14.359 21.081 -1.157 1.00 0.00 C ATOM 1636 OG SER A 103 -14.194 20.418 -2.403 1.00 0.00 O ATOM 0 H SER A 103 -15.147 18.527 -1.065 1.00 0.00 H new ATOM 0 HA SER A 103 -15.473 20.934 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.587 22.132 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.423 21.046 -0.600 1.00 0.00 H new ATOM 0 HG SER A 103 -15.038 19.993 -2.662 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.689 21.507 -0.356 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.099 21.692 -0.741 1.00 0.00 C ATOM 1644 C ALA A 104 -19.289 21.937 -2.260 1.00 0.00 C ATOM 1645 O ALA A 104 -18.614 22.778 -2.837 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.700 22.821 0.094 1.00 0.00 C ATOM 0 H ALA A 104 -17.401 22.106 0.418 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.630 20.763 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.744 22.964 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.639 22.564 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.146 23.742 -0.087 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.207 21.151 -2.874 1.00 0.00 N ATOM 1653 CA ASN A 105 -20.516 21.157 -4.335 1.00 0.00 C ATOM 1654 C ASN A 105 -20.887 22.560 -4.899 1.00 0.00 C ATOM 1655 O ASN A 105 -20.973 23.557 -4.179 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.710 20.180 -4.606 1.00 0.00 C ATOM 1657 CG ASN A 105 -21.364 18.693 -4.579 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -20.280 18.286 -4.942 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.305 17.863 -4.176 1.00 0.00 N ATOM 0 H ASN A 105 -20.771 20.476 -2.358 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.605 20.843 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -22.486 20.368 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -22.137 20.418 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.129 16.858 -4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -23.210 18.225 -3.875 1.00 0.00 H new ATOM 1666 N THR A 106 -21.175 22.586 -6.215 1.00 0.00 N ATOM 1667 CA THR A 106 -21.599 23.798 -6.941 1.00 0.00 C ATOM 1668 C THR A 106 -22.982 24.298 -6.457 1.00 0.00 C ATOM 1669 O THR A 106 -23.383 25.413 -6.795 1.00 0.00 O ATOM 1670 CB THR A 106 -21.635 23.548 -8.493 1.00 0.00 C ATOM 1671 OG1 THR A 106 -21.800 24.779 -9.225 1.00 0.00 O ATOM 1672 CG2 THR A 106 -22.755 22.574 -8.897 1.00 0.00 C ATOM 0 H THR A 106 -21.119 21.759 -6.809 1.00 0.00 H new ATOM 0 HA THR A 106 -20.860 24.571 -6.727 1.00 0.00 H new ATOM 0 HB THR A 106 -20.673 23.102 -8.747 1.00 0.00 H new ATOM 0 HG1 THR A 106 -22.069 25.492 -8.609 1.00 0.00 H new ATOM 0 HG21 THR A 106 -22.741 22.432 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 106 -22.599 21.615 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 106 -23.719 22.984 -8.597 1.00 0.00 H new ATOM 1680 N ILE A 107 -23.697 23.448 -5.679 1.00 0.00 N ATOM 1681 CA ILE A 107 -24.993 23.784 -5.071 1.00 0.00 C ATOM 1682 C ILE A 107 -24.863 25.048 -4.195 1.00 0.00 C ATOM 1683 O ILE A 107 -25.634 26.003 -4.347 1.00 0.00 O ATOM 1684 CB ILE A 107 -25.553 22.590 -4.201 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -25.674 21.275 -5.040 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -26.910 22.947 -3.536 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -26.623 21.340 -6.238 1.00 0.00 C ATOM 0 H ILE A 107 -23.381 22.504 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 107 -25.696 23.974 -5.882 1.00 0.00 H new ATOM 0 HB ILE A 107 -24.831 22.414 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -24.682 21.002 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -26.005 20.473 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -27.261 22.100 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -26.780 23.812 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -27.643 23.180 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -26.631 20.377 -6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -27.629 21.576 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -26.285 22.113 -6.928 1.00 0.00 H new ATOM 1699 N THR A 108 -23.852 25.041 -3.307 1.00 0.00 N ATOM 1700 CA THR A 108 -23.594 26.153 -2.371 1.00 0.00 C ATOM 1701 C THR A 108 -22.992 27.370 -3.102 1.00 0.00 C ATOM 1702 O THR A 108 -23.005 28.487 -2.581 1.00 0.00 O ATOM 1703 CB THR A 108 -22.651 25.701 -1.211 1.00 0.00 C ATOM 1704 OG1 THR A 108 -22.764 26.610 -0.106 1.00 0.00 O ATOM 1705 CG2 THR A 108 -21.172 25.591 -1.644 1.00 0.00 C ATOM 0 H THR A 108 -23.193 24.268 -3.217 1.00 0.00 H new ATOM 0 HA THR A 108 -24.552 26.449 -1.944 1.00 0.00 H new ATOM 0 HB THR A 108 -22.973 24.703 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 108 -22.734 27.532 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 108 -20.567 25.273 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 108 -21.082 24.860 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 108 -20.823 26.562 -1.995 1.00 0.00 H new ATOM 1713 N GLN A 109 -22.458 27.118 -4.308 1.00 0.00 N ATOM 1714 CA GLN A 109 -21.887 28.139 -5.196 1.00 0.00 C ATOM 1715 C GLN A 109 -22.971 28.618 -6.186 1.00 0.00 C ATOM 1716 O GLN A 109 -24.166 28.389 -5.976 1.00 0.00 O ATOM 1717 CB GLN A 109 -20.703 27.517 -5.984 1.00 0.00 C ATOM 1718 CG GLN A 109 -19.650 26.791 -5.130 1.00 0.00 C ATOM 1719 CD GLN A 109 -18.522 26.157 -5.952 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -17.991 25.114 -5.585 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -18.132 26.783 -7.064 1.00 0.00 N ATOM 0 H GLN A 109 -22.411 26.177 -4.700 1.00 0.00 H new ATOM 0 HA GLN A 109 -21.533 28.987 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -21.104 26.812 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -20.207 28.309 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -19.218 27.498 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -20.142 26.014 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -18.589 27.649 -7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -17.377 26.395 -7.629 1.00 0.00 H new ATOM 1730 N ASN A 110 -22.543 29.304 -7.256 1.00 0.00 N ATOM 1731 CA ASN A 110 -23.381 29.549 -8.441 1.00 0.00 C ATOM 1732 C ASN A 110 -23.081 28.473 -9.491 1.00 0.00 C ATOM 1733 O ASN A 110 -22.287 27.554 -9.247 1.00 0.00 O ATOM 1734 CB ASN A 110 -23.125 30.967 -9.016 1.00 0.00 C ATOM 1735 CG ASN A 110 -23.581 32.076 -8.066 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -24.724 32.526 -8.125 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -22.695 32.517 -7.185 1.00 0.00 N ATOM 0 H ASN A 110 -21.607 29.704 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 110 -24.432 29.497 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -22.061 31.085 -9.223 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -23.648 31.070 -9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -22.953 33.253 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -21.755 32.121 -7.164 1.00 0.00 H new ATOM 1744 N LYS A 111 -23.732 28.581 -10.655 1.00 0.00 N ATOM 1745 CA LYS A 111 -23.515 27.667 -11.783 1.00 0.00 C ATOM 1746 C LYS A 111 -22.278 28.137 -12.560 1.00 0.00 C ATOM 1747 O LYS A 111 -22.373 29.072 -13.367 1.00 0.00 O ATOM 1748 CB LYS A 111 -24.762 27.595 -12.711 1.00 0.00 C ATOM 1749 CG LYS A 111 -26.016 26.887 -12.119 1.00 0.00 C ATOM 1750 CD LYS A 111 -26.636 27.599 -10.891 1.00 0.00 C ATOM 1751 CE LYS A 111 -27.919 26.919 -10.373 1.00 0.00 C ATOM 1752 NZ LYS A 111 -28.382 27.518 -9.088 1.00 0.00 N ATOM 0 H LYS A 111 -24.425 29.306 -10.842 1.00 0.00 H new ATOM 0 HA LYS A 111 -23.352 26.659 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -25.041 28.611 -12.990 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -24.478 27.079 -13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -26.774 26.807 -12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -25.743 25.871 -11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -25.900 27.629 -10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -26.862 28.632 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -28.706 27.010 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -27.735 25.854 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -29.247 27.035 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -27.641 27.409 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -28.582 28.529 -9.228 1.00 0.00 H new ATOM 1766 N LYS A 112 -21.112 27.537 -12.210 1.00 0.00 N ATOM 1767 CA LYS A 112 -19.758 27.736 -12.826 1.00 0.00 C ATOM 1768 C LYS A 112 -19.034 28.919 -12.193 1.00 0.00 C ATOM 1769 O LYS A 112 -17.832 28.866 -11.932 1.00 0.00 O ATOM 1770 CB LYS A 112 -19.779 27.880 -14.380 1.00 0.00 C ATOM 1771 CG LYS A 112 -20.528 26.748 -15.079 1.00 0.00 C ATOM 1772 CD LYS A 112 -20.499 26.846 -16.616 1.00 0.00 C ATOM 1773 CE LYS A 112 -21.386 25.791 -17.285 1.00 0.00 C ATOM 1774 NZ LYS A 112 -21.376 25.911 -18.767 1.00 0.00 N ATOM 0 H LYS A 112 -21.081 26.861 -11.447 1.00 0.00 H new ATOM 0 HA LYS A 112 -19.208 26.819 -12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -20.242 28.831 -14.644 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -18.754 27.911 -14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -20.094 25.795 -14.776 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -21.565 26.748 -14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -20.828 27.840 -16.920 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -19.473 26.729 -16.966 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -21.044 24.796 -17.000 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -22.408 25.893 -16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -21.989 25.178 -19.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -21.727 26.851 -19.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -20.405 25.788 -19.119 1.00 0.00 H new ATOM 1788 N ASP A 113 -19.822 29.961 -11.933 1.00 0.00 N ATOM 1789 CA ASP A 113 -19.398 31.272 -11.366 1.00 0.00 C ATOM 1790 C ASP A 113 -18.042 31.783 -11.935 1.00 0.00 C ATOM 1791 O ASP A 113 -18.019 32.397 -13.004 1.00 0.00 O ATOM 1792 CB ASP A 113 -19.478 31.301 -9.790 1.00 0.00 C ATOM 1793 CG ASP A 113 -18.903 30.057 -9.070 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -17.699 30.041 -8.739 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -19.662 29.106 -8.809 1.00 0.00 O ATOM 0 H ASP A 113 -20.825 29.928 -12.115 1.00 0.00 H new ATOM 0 HA ASP A 113 -20.131 32.001 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -18.947 32.183 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -20.522 31.417 -9.499 1.00 0.00 H new ATOM 1800 N GLY A 114 -16.922 31.490 -11.236 1.00 0.00 N ATOM 1801 CA GLY A 114 -15.577 31.916 -11.656 1.00 0.00 C ATOM 1802 C GLY A 114 -15.420 33.431 -11.747 1.00 0.00 C ATOM 1803 O GLY A 114 -14.701 33.929 -12.619 1.00 0.00 O ATOM 0 H GLY A 114 -16.930 30.953 -10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.844 31.524 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.352 31.476 -12.628 1.00 0.00 H new ATOM 1807 N LEU A 115 -16.101 34.153 -10.831 1.00 0.00 N ATOM 1808 CA LEU A 115 -16.192 35.618 -10.873 1.00 0.00 C ATOM 1809 C LEU A 115 -14.884 36.248 -10.362 1.00 0.00 C ATOM 1810 O LEU A 115 -14.007 36.580 -11.164 1.00 0.00 O ATOM 1811 CB LEU A 115 -17.423 36.115 -10.057 1.00 0.00 C ATOM 1812 CG LEU A 115 -18.789 35.461 -10.422 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -19.917 35.965 -9.494 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -19.131 35.675 -11.914 1.00 0.00 C ATOM 0 H LEU A 115 -16.600 33.733 -10.047 1.00 0.00 H new ATOM 0 HA LEU A 115 -16.334 35.933 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -17.229 35.939 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -17.511 37.193 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 115 -18.699 34.386 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -20.858 35.491 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -19.677 35.714 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -20.013 37.046 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -20.090 35.207 -12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -19.190 36.743 -12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -18.355 35.226 -12.533 1.00 0.00 H new ATOM 1826 N GLU A 116 -14.747 36.363 -9.025 1.00 0.00 N ATOM 1827 CA GLU A 116 -13.562 36.974 -8.370 1.00 0.00 C ATOM 1828 C GLU A 116 -13.478 36.584 -6.875 1.00 0.00 C ATOM 1829 O GLU A 116 -12.377 36.465 -6.329 1.00 0.00 O ATOM 1830 CB GLU A 116 -13.530 38.538 -8.562 1.00 0.00 C ATOM 1831 CG GLU A 116 -14.897 39.269 -8.605 1.00 0.00 C ATOM 1832 CD GLU A 116 -15.767 39.087 -7.346 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -15.551 39.816 -6.360 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -16.674 38.220 -7.341 1.00 0.00 O ATOM 0 H GLU A 116 -15.453 36.036 -8.365 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.677 36.572 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.942 38.967 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.000 38.755 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.719 40.334 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.456 38.914 -9.470 1.00 0.00 H new ATOM 1841 N HIS A 117 -14.653 36.353 -6.250 1.00 0.00 N ATOM 1842 CA HIS A 117 -14.821 36.216 -4.785 1.00 0.00 C ATOM 1843 C HIS A 117 -14.424 37.519 -4.080 1.00 0.00 C ATOM 1844 O HIS A 117 -13.233 37.820 -3.969 1.00 0.00 O ATOM 1845 CB HIS A 117 -14.045 35.017 -4.149 1.00 0.00 C ATOM 1846 CG HIS A 117 -14.503 33.659 -4.580 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -13.643 32.684 -5.031 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -15.733 33.101 -4.588 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -14.318 31.591 -5.296 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -15.587 31.814 -5.040 1.00 0.00 N ATOM 0 H HIS A 117 -15.531 36.254 -6.760 1.00 0.00 H new ATOM 0 HA HIS A 117 -15.879 36.003 -4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -12.987 35.120 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -14.131 35.084 -3.064 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -16.656 33.578 -4.294 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -13.901 30.665 -5.663 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -16.342 31.139 -5.158 1.00 0.00 H new ATOM 1859 N HIS A 118 -15.423 38.291 -3.618 1.00 0.00 N ATOM 1860 CA HIS A 118 -15.192 39.486 -2.785 1.00 0.00 C ATOM 1861 C HIS A 118 -14.524 39.052 -1.466 1.00 0.00 C ATOM 1862 O HIS A 118 -14.731 37.922 -1.014 1.00 0.00 O ATOM 1863 CB HIS A 118 -16.519 40.233 -2.492 1.00 0.00 C ATOM 1864 CG HIS A 118 -17.176 40.864 -3.697 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -16.718 42.028 -4.272 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -18.264 40.503 -4.424 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -17.495 42.354 -5.285 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -18.437 41.447 -5.401 1.00 0.00 N ATOM 0 H HIS A 118 -16.408 38.107 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.541 40.173 -3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -17.221 39.532 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -16.325 41.011 -1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -18.880 39.631 -4.262 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.377 43.223 -5.915 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -19.176 41.446 -6.104 1.00 0.00 H new ATOM 1877 N HIS A 119 -13.706 39.940 -0.882 1.00 0.00 N ATOM 1878 CA HIS A 119 -13.022 39.686 0.404 1.00 0.00 C ATOM 1879 C HIS A 119 -14.066 39.453 1.522 1.00 0.00 C ATOM 1880 O HIS A 119 -15.024 40.221 1.637 1.00 0.00 O ATOM 1881 CB HIS A 119 -12.084 40.868 0.767 1.00 0.00 C ATOM 1882 CG HIS A 119 -10.954 41.108 -0.213 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -10.973 42.106 -1.167 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -9.761 40.481 -0.371 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -9.854 42.078 -1.864 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -9.099 41.106 -1.400 1.00 0.00 N ATOM 0 H HIS A 119 -13.497 40.854 -1.283 1.00 0.00 H new ATOM 0 HA HIS A 119 -12.411 38.789 0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -12.681 41.777 0.841 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -11.658 40.685 1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -9.398 39.644 0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -9.600 42.741 -2.678 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -8.173 40.857 -1.747 1.00 0.00 H new ATOM 1895 N HIS A 120 -13.879 38.388 2.331 1.00 0.00 N ATOM 1896 CA HIS A 120 -14.843 37.988 3.391 1.00 0.00 C ATOM 1897 C HIS A 120 -14.646 38.819 4.687 1.00 0.00 C ATOM 1898 O HIS A 120 -14.410 38.290 5.779 1.00 0.00 O ATOM 1899 CB HIS A 120 -14.786 36.445 3.650 1.00 0.00 C ATOM 1900 CG HIS A 120 -13.429 35.870 3.981 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -12.747 36.144 5.147 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -12.631 35.026 3.284 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -11.598 35.505 5.146 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -11.502 34.819 4.029 1.00 0.00 N ATOM 0 H HIS A 120 -13.061 37.781 2.272 1.00 0.00 H new ATOM 0 HA HIS A 120 -15.848 38.213 3.034 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -15.466 36.211 4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -15.166 35.936 2.765 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -13.082 36.750 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.846 34.595 2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.857 35.538 5.931 1.00 0.00 H new ATOM 1913 N HIS A 121 -14.749 40.149 4.539 1.00 0.00 N ATOM 1914 CA HIS A 121 -14.625 41.125 5.636 1.00 0.00 C ATOM 1915 C HIS A 121 -15.626 42.266 5.372 1.00 0.00 C ATOM 1916 O HIS A 121 -15.292 43.258 4.726 1.00 0.00 O ATOM 1917 CB HIS A 121 -13.164 41.664 5.761 1.00 0.00 C ATOM 1918 CG HIS A 121 -12.136 40.623 6.164 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -11.321 39.973 5.258 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -11.814 40.108 7.378 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -10.545 39.118 5.892 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -10.819 39.178 7.176 1.00 0.00 N ATOM 0 H HIS A 121 -14.925 40.586 3.634 1.00 0.00 H new ATOM 0 HA HIS A 121 -14.854 40.644 6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -12.868 42.096 4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -13.150 42.471 6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -12.256 40.378 8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -9.808 38.476 5.434 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -10.368 38.625 7.905 1.00 0.00 H new ATOM 1931 N HIS A 122 -16.878 42.082 5.836 1.00 0.00 N ATOM 1932 CA HIS A 122 -18.009 42.998 5.552 1.00 0.00 C ATOM 1933 C HIS A 122 -18.443 43.715 6.853 1.00 0.00 C ATOM 1934 O HIS A 122 -19.223 43.134 7.642 1.00 0.00 O ATOM 1935 CB HIS A 122 -19.200 42.212 4.919 1.00 0.00 C ATOM 1936 CG HIS A 122 -18.865 41.532 3.621 1.00 0.00 C ATOM 1937 ND1 HIS A 122 -19.295 41.979 2.393 1.00 0.00 N ATOM 1938 CD2 HIS A 122 -18.134 40.419 3.370 1.00 0.00 C ATOM 1939 CE1 HIS A 122 -18.849 41.174 1.453 1.00 0.00 C ATOM 1940 NE2 HIS A 122 -18.142 40.219 2.018 1.00 0.00 N ATOM 1941 OXT HIS A 122 -17.968 44.842 7.106 1.00 0.00 O ATOM 0 H HIS A 122 -17.138 41.289 6.423 1.00 0.00 H new ATOM 0 HA HIS A 122 -17.687 43.752 4.834 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -19.546 41.463 5.631 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -20.029 42.901 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -17.636 39.803 4.104 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -19.033 41.279 0.394 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -17.677 39.455 1.528 1.00 0.00 H new TER 1950 HIS A 122