USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 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 73 LYS NZ :NH3+ -157:sc= 0.762 (180deg=-0.392) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0.8 USER MOD Set 2.1: A 58 ASN : amide:sc= 1.07 K(o=2.2,f=-11!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -171:sc= 1.15 (180deg=-0.414) USER MOD Set 3.1: A 56 GLN : amide:sc= -0.265 K(o=0.01,f=-13!) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 175:sc= 0.275 (180deg=-0.0236) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.123 (180deg=-0.0976) USER MOD Single : A 4 ASN : amide:sc= -0.164 K(o=-0.16,f=-6.8!) USER MOD Single : A 6 MET CE :methyl -124:sc= -0.356 (180deg=-3.68!) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 2.06 (180deg=1.61) USER MOD Single : A 11 TYR OH : rot -117:sc= 0.83 USER MOD Single : A 12 TYR OH : rot 30:sc= -0.129 USER MOD Single : A 14 GLN : amide:sc= 0.638 K(o=0.64,f=-2.8!) USER MOD Single : A 16 THR OG1 : rot 141:sc= -1.7! USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -1.74 (180deg=-2.63) USER MOD Single : A 23 HIS : +bothHN:sc= 1.16 K(o=1.2,f=-4.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.609 X(o=-0.61,f=-1!) USER MOD Single : A 30 GLN : amide:sc= -0.0801 K(o=-0.08,f=-8.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= 0.738 (180deg=-1.16!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 26:sc= 0.0422 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= 0.53 (180deg=-0.029) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.944) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0461 (180deg=-0.339) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-5.8!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.329 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.17) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= -0.0465 (180deg=-0.205) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0253 (180deg=-0.225) USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.02) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc=-0.00225 X(o=-0.0023,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.801 X(o=-0.8,f=-0.74) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.234 F(o=-0.75,f=-0.23) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.975 -5.266 0.907 1.00 25.35 N ATOM 2 CA MET A 1 20.153 -5.427 -0.563 1.00 24.21 C ATOM 3 C MET A 1 19.478 -6.720 -1.043 1.00 63.14 C ATOM 4 O MET A 1 20.094 -7.787 -1.049 1.00 33.02 O ATOM 5 CB MET A 1 21.647 -5.450 -0.912 1.00 34.43 C ATOM 6 CG MET A 1 22.465 -4.411 -0.157 1.00 11.03 C ATOM 7 SD MET A 1 21.762 -2.754 -0.265 1.00 71.50 S ATOM 8 CE MET A 1 22.902 -1.837 0.775 1.00 14.34 C ATOM 0 H1 MET A 1 20.284 -4.315 1.192 1.00 25.35 H new ATOM 0 H2 MET A 1 18.972 -5.392 1.151 1.00 25.35 H new ATOM 0 H3 MET A 1 20.545 -5.979 1.406 1.00 25.35 H new ATOM 0 HA MET A 1 19.685 -4.582 -1.067 1.00 24.21 H new ATOM 0 HB2 MET A 1 22.047 -6.441 -0.697 1.00 34.43 H new ATOM 0 HB3 MET A 1 21.764 -5.284 -1.983 1.00 34.43 H new ATOM 0 HG2 MET A 1 22.536 -4.703 0.891 1.00 11.03 H new ATOM 0 HG3 MET A 1 23.480 -4.396 -0.554 1.00 11.03 H new ATOM 0 HE1 MET A 1 22.601 -0.790 0.810 1.00 14.34 H new ATOM 0 HE2 MET A 1 22.889 -2.252 1.783 1.00 14.34 H new ATOM 0 HE3 MET A 1 23.909 -1.912 0.365 1.00 14.34 H new ATOM 20 N ASP A 2 18.210 -6.627 -1.435 1.00 1.00 N ATOM 21 CA ASP A 2 17.404 -7.819 -1.709 1.00 70.50 C ATOM 22 C ASP A 2 17.151 -8.036 -3.208 1.00 64.14 C ATOM 23 O ASP A 2 16.209 -7.482 -3.780 1.00 4.32 O ATOM 24 CB ASP A 2 16.065 -7.724 -0.968 1.00 40.52 C ATOM 25 CG ASP A 2 16.249 -7.480 0.518 1.00 1.43 C ATOM 26 OD1 ASP A 2 16.521 -8.447 1.255 1.00 74.54 O ATOM 27 OD2 ASP A 2 16.130 -6.314 0.954 1.00 14.32 O ATOM 0 H ASP A 2 17.718 -5.744 -1.570 1.00 1.00 H new ATOM 0 HA ASP A 2 17.974 -8.677 -1.352 1.00 70.50 H new ATOM 0 HB2 ASP A 2 15.471 -6.917 -1.396 1.00 40.52 H new ATOM 0 HB3 ASP A 2 15.503 -8.646 -1.116 1.00 40.52 H new ATOM 32 N LEU A 3 18.005 -8.840 -3.839 1.00 0.31 N ATOM 33 CA LEU A 3 17.735 -9.337 -5.195 1.00 14.15 C ATOM 34 C LEU A 3 16.775 -10.536 -5.132 1.00 30.43 C ATOM 35 O LEU A 3 16.208 -10.954 -6.141 1.00 52.31 O ATOM 36 CB LEU A 3 19.049 -9.708 -5.916 1.00 32.41 C ATOM 37 CG LEU A 3 20.029 -10.623 -5.144 1.00 12.11 C ATOM 38 CD1 LEU A 3 19.553 -12.077 -5.111 1.00 11.55 C ATOM 39 CD2 LEU A 3 21.430 -10.537 -5.746 1.00 3.55 C ATOM 0 H LEU A 3 18.886 -9.162 -3.439 1.00 0.31 H new ATOM 0 HA LEU A 3 17.258 -8.545 -5.772 1.00 14.15 H new ATOM 0 HB2 LEU A 3 18.795 -10.197 -6.856 1.00 32.41 H new ATOM 0 HB3 LEU A 3 19.571 -8.785 -6.168 1.00 32.41 H new ATOM 0 HG LEU A 3 20.061 -10.266 -4.115 1.00 12.11 H new ATOM 0 HD11 LEU A 3 20.272 -12.683 -4.559 1.00 11.55 H new ATOM 0 HD12 LEU A 3 18.581 -12.131 -4.621 1.00 11.55 H new ATOM 0 HD13 LEU A 3 19.467 -12.455 -6.130 1.00 11.55 H new ATOM 0 HD21 LEU A 3 22.105 -11.187 -5.190 1.00 3.55 H new ATOM 0 HD22 LEU A 3 21.398 -10.853 -6.789 1.00 3.55 H new ATOM 0 HD23 LEU A 3 21.788 -9.509 -5.690 1.00 3.55 H new ATOM 51 N ASN A 4 16.606 -11.070 -3.921 1.00 40.43 N ATOM 52 CA ASN A 4 15.686 -12.181 -3.657 1.00 60.44 C ATOM 53 C ASN A 4 14.262 -11.828 -4.105 1.00 25.21 C ATOM 54 O ASN A 4 13.631 -12.566 -4.865 1.00 74.12 O ATOM 55 CB ASN A 4 15.686 -12.515 -2.158 1.00 20.44 C ATOM 56 CG ASN A 4 17.084 -12.727 -1.595 1.00 24.40 C ATOM 57 OD1 ASN A 4 18.058 -12.151 -2.067 1.00 44.41 O ATOM 58 ND2 ASN A 4 17.192 -13.551 -0.576 1.00 25.11 N ATOM 0 H ASN A 4 17.104 -10.744 -3.093 1.00 40.43 H new ATOM 0 HA ASN A 4 16.025 -13.048 -4.224 1.00 60.44 H new ATOM 0 HB2 ASN A 4 15.199 -11.707 -1.612 1.00 20.44 H new ATOM 0 HB3 ASN A 4 15.093 -13.415 -1.992 1.00 20.44 H new ATOM 0 HD21 ASN A 4 18.105 -13.726 -0.156 1.00 25.11 H new ATOM 0 HD22 ASN A 4 16.363 -14.015 -0.206 1.00 25.11 H new ATOM 65 N ARG A 5 13.760 -10.692 -3.624 1.00 33.42 N ATOM 66 CA ARG A 5 12.430 -10.213 -4.008 1.00 21.45 C ATOM 67 C ARG A 5 12.513 -9.044 -4.998 1.00 3.01 C ATOM 68 O ARG A 5 12.511 -7.868 -4.612 1.00 51.35 O ATOM 69 CB ARG A 5 11.609 -9.811 -2.773 1.00 74.44 C ATOM 70 CG ARG A 5 11.098 -10.999 -1.964 1.00 70.11 C ATOM 71 CD ARG A 5 10.150 -10.559 -0.855 1.00 42.35 C ATOM 72 NE ARG A 5 9.480 -11.694 -0.230 1.00 51.41 N ATOM 73 CZ ARG A 5 8.258 -11.664 0.229 1.00 32.31 C ATOM 74 NH1 ARG A 5 7.526 -10.605 0.098 1.00 32.40 N ATOM 75 NH2 ARG A 5 7.750 -12.710 0.791 1.00 34.34 N ATOM 0 H ARG A 5 14.252 -10.085 -2.968 1.00 33.42 H new ATOM 0 HA ARG A 5 11.923 -11.039 -4.507 1.00 21.45 H new ATOM 0 HB2 ARG A 5 12.223 -9.181 -2.129 1.00 74.44 H new ATOM 0 HB3 ARG A 5 10.759 -9.208 -3.093 1.00 74.44 H new ATOM 0 HG2 ARG A 5 10.585 -11.697 -2.626 1.00 70.11 H new ATOM 0 HG3 ARG A 5 11.943 -11.534 -1.530 1.00 70.11 H new ATOM 0 HD2 ARG A 5 10.707 -10.005 -0.099 1.00 42.35 H new ATOM 0 HD3 ARG A 5 9.404 -9.877 -1.264 1.00 42.35 H new ATOM 0 HE ARG A 5 10.000 -12.568 -0.146 1.00 51.41 H new ATOM 0 HH11 ARG A 5 7.902 -9.780 -0.369 1.00 32.40 H new ATOM 0 HH12 ARG A 5 6.573 -10.596 0.461 1.00 32.40 H new ATOM 0 HH21 ARG A 5 8.304 -13.562 0.877 1.00 34.34 H new ATOM 0 HH22 ARG A 5 6.795 -12.684 1.149 1.00 34.34 H new ATOM 89 N MET A 6 12.623 -9.384 -6.277 1.00 71.40 N ATOM 90 CA MET A 6 12.556 -8.397 -7.354 1.00 12.22 C ATOM 91 C MET A 6 11.096 -8.119 -7.747 1.00 44.43 C ATOM 92 O MET A 6 10.170 -8.758 -7.240 1.00 40.32 O ATOM 93 CB MET A 6 13.370 -8.876 -8.565 1.00 23.32 C ATOM 94 CG MET A 6 14.872 -8.714 -8.388 1.00 12.53 C ATOM 95 SD MET A 6 15.336 -6.985 -8.161 1.00 32.44 S ATOM 96 CE MET A 6 17.118 -7.115 -8.036 1.00 34.24 C ATOM 0 H MET A 6 12.760 -10.343 -6.597 1.00 71.40 H new ATOM 0 HA MET A 6 12.989 -7.463 -6.997 1.00 12.22 H new ATOM 0 HB2 MET A 6 13.145 -9.926 -8.752 1.00 23.32 H new ATOM 0 HB3 MET A 6 13.054 -8.321 -9.448 1.00 23.32 H new ATOM 0 HG2 MET A 6 15.201 -9.295 -7.527 1.00 12.53 H new ATOM 0 HG3 MET A 6 15.387 -9.117 -9.260 1.00 12.53 H new ATOM 0 HE1 MET A 6 17.451 -6.665 -7.101 1.00 34.24 H new ATOM 0 HE2 MET A 6 17.409 -8.165 -8.057 1.00 34.24 H new ATOM 0 HE3 MET A 6 17.581 -6.594 -8.874 1.00 34.24 H new ATOM 106 N GLY A 7 10.895 -7.169 -8.652 1.00 61.35 N ATOM 107 CA GLY A 7 9.546 -6.740 -9.005 1.00 41.33 C ATOM 108 C GLY A 7 9.075 -5.564 -8.157 1.00 75.42 C ATOM 109 O GLY A 7 8.215 -5.713 -7.285 1.00 75.31 O ATOM 0 H GLY A 7 11.641 -6.684 -9.151 1.00 61.35 H new ATOM 0 HA2 GLY A 7 9.520 -6.460 -10.058 1.00 41.33 H new ATOM 0 HA3 GLY A 7 8.857 -7.575 -8.880 1.00 41.33 H new ATOM 113 N LYS A 8 9.646 -4.391 -8.407 1.00 20.11 N ATOM 114 CA LYS A 8 9.292 -3.179 -7.663 1.00 3.04 C ATOM 115 C LYS A 8 8.119 -2.450 -8.347 1.00 40.34 C ATOM 116 O LYS A 8 8.130 -1.228 -8.502 1.00 54.45 O ATOM 117 CB LYS A 8 10.513 -2.249 -7.576 1.00 60.14 C ATOM 118 CG LYS A 8 11.831 -2.960 -7.257 1.00 20.12 C ATOM 119 CD LYS A 8 11.799 -3.711 -5.922 1.00 2.42 C ATOM 120 CE LYS A 8 13.138 -4.392 -5.634 1.00 42.35 C ATOM 121 NZ LYS A 8 13.135 -5.138 -4.344 1.00 43.32 N ATOM 0 H LYS A 8 10.360 -4.249 -9.122 1.00 20.11 H new ATOM 0 HA LYS A 8 8.983 -3.461 -6.657 1.00 3.04 H new ATOM 0 HB2 LYS A 8 10.620 -1.721 -8.523 1.00 60.14 H new ATOM 0 HB3 LYS A 8 10.326 -1.496 -6.810 1.00 60.14 H new ATOM 0 HG2 LYS A 8 12.061 -3.663 -8.058 1.00 20.12 H new ATOM 0 HG3 LYS A 8 12.637 -2.227 -7.236 1.00 20.12 H new ATOM 0 HD2 LYS A 8 11.562 -3.016 -5.117 1.00 2.42 H new ATOM 0 HD3 LYS A 8 11.006 -4.458 -5.942 1.00 2.42 H new ATOM 0 HE2 LYS A 8 13.374 -5.079 -6.446 1.00 42.35 H new ATOM 0 HE3 LYS A 8 13.927 -3.640 -5.613 1.00 42.35 H new ATOM 0 HZ1 LYS A 8 14.109 -5.407 -4.096 1.00 43.32 H new ATOM 0 HZ2 LYS A 8 12.741 -4.534 -3.595 1.00 43.32 H new ATOM 0 HZ3 LYS A 8 12.553 -5.995 -4.440 1.00 43.32 H new ATOM 135 N ASP A 9 7.102 -3.218 -8.733 1.00 45.41 N ATOM 136 CA ASP A 9 5.960 -2.699 -9.495 1.00 72.34 C ATOM 137 C ASP A 9 5.074 -1.746 -8.667 1.00 20.34 C ATOM 138 O ASP A 9 5.326 -1.500 -7.485 1.00 34.30 O ATOM 139 CB ASP A 9 5.130 -3.873 -10.020 1.00 23.32 C ATOM 140 CG ASP A 9 5.901 -4.730 -11.012 1.00 72.13 C ATOM 141 OD1 ASP A 9 6.928 -5.326 -10.625 1.00 4.33 O ATOM 142 OD2 ASP A 9 5.474 -4.825 -12.181 1.00 55.30 O ATOM 0 H ASP A 9 7.043 -4.216 -8.529 1.00 45.41 H new ATOM 0 HA ASP A 9 6.354 -2.113 -10.325 1.00 72.34 H new ATOM 0 HB2 ASP A 9 4.810 -4.492 -9.182 1.00 23.32 H new ATOM 0 HB3 ASP A 9 4.228 -3.492 -10.498 1.00 23.32 H new ATOM 147 N GLU A 10 4.026 -1.213 -9.299 1.00 71.23 N ATOM 148 CA GLU A 10 3.204 -0.168 -8.678 1.00 1.02 C ATOM 149 C GLU A 10 2.077 -0.737 -7.798 1.00 73.01 C ATOM 150 O GLU A 10 1.521 -1.805 -8.065 1.00 14.02 O ATOM 151 CB GLU A 10 2.616 0.775 -9.748 1.00 20.22 C ATOM 152 CG GLU A 10 1.299 0.311 -10.388 1.00 22.14 C ATOM 153 CD GLU A 10 1.415 -0.939 -11.252 1.00 12.35 C ATOM 154 OE1 GLU A 10 2.528 -1.264 -11.717 1.00 55.20 O ATOM 155 OE2 GLU A 10 0.377 -1.591 -11.496 1.00 54.02 O ATOM 0 H GLU A 10 3.726 -1.485 -10.235 1.00 71.23 H new ATOM 0 HA GLU A 10 3.868 0.397 -8.024 1.00 1.02 H new ATOM 0 HB2 GLU A 10 2.455 1.753 -9.296 1.00 20.22 H new ATOM 0 HB3 GLU A 10 3.356 0.907 -10.537 1.00 20.22 H new ATOM 0 HG2 GLU A 10 0.573 0.123 -9.597 1.00 22.14 H new ATOM 0 HG3 GLU A 10 0.902 1.122 -10.998 1.00 22.14 H new ATOM 162 N TYR A 11 1.760 -0.003 -6.735 1.00 11.23 N ATOM 163 CA TYR A 11 0.635 -0.319 -5.850 1.00 74.22 C ATOM 164 C TYR A 11 -0.394 0.820 -5.867 1.00 15.42 C ATOM 165 O TYR A 11 -0.044 1.978 -6.100 1.00 53.32 O ATOM 166 CB TYR A 11 1.130 -0.553 -4.409 1.00 52.11 C ATOM 167 CG TYR A 11 1.699 -1.942 -4.157 1.00 73.24 C ATOM 168 CD1 TYR A 11 2.703 -2.472 -4.962 1.00 62.33 C ATOM 169 CD2 TYR A 11 1.227 -2.721 -3.105 1.00 24.14 C ATOM 170 CE1 TYR A 11 3.215 -3.735 -4.727 1.00 44.12 C ATOM 171 CE2 TYR A 11 1.736 -3.982 -2.865 1.00 54.22 C ATOM 172 CZ TYR A 11 2.727 -4.484 -3.677 1.00 63.24 C ATOM 173 OH TYR A 11 3.229 -5.745 -3.439 1.00 65.32 O ATOM 0 H TYR A 11 2.277 0.832 -6.459 1.00 11.23 H new ATOM 0 HA TYR A 11 0.161 -1.231 -6.212 1.00 74.22 H new ATOM 0 HB2 TYR A 11 1.895 0.187 -4.176 1.00 52.11 H new ATOM 0 HB3 TYR A 11 0.302 -0.383 -3.721 1.00 52.11 H new ATOM 0 HD1 TYR A 11 3.089 -1.887 -5.784 1.00 62.33 H new ATOM 0 HD2 TYR A 11 0.449 -2.332 -2.465 1.00 24.14 H new ATOM 0 HE1 TYR A 11 3.993 -4.133 -5.362 1.00 44.12 H new ATOM 0 HE2 TYR A 11 1.358 -4.572 -2.043 1.00 54.22 H new ATOM 0 HH TYR A 11 2.515 -6.407 -3.547 1.00 65.32 H new ATOM 183 N TYR A 12 -1.661 0.490 -5.628 1.00 44.15 N ATOM 184 CA TYR A 12 -2.722 1.501 -5.592 1.00 22.14 C ATOM 185 C TYR A 12 -2.911 2.040 -4.163 1.00 64.30 C ATOM 186 O TYR A 12 -3.441 1.346 -3.290 1.00 34.45 O ATOM 187 CB TYR A 12 -4.040 0.913 -6.118 1.00 10.43 C ATOM 188 CG TYR A 12 -3.919 0.232 -7.473 1.00 2.42 C ATOM 189 CD1 TYR A 12 -3.718 0.970 -8.635 1.00 42.21 C ATOM 190 CD2 TYR A 12 -4.019 -1.154 -7.587 1.00 31.03 C ATOM 191 CE1 TYR A 12 -3.619 0.349 -9.870 1.00 31.25 C ATOM 192 CE2 TYR A 12 -3.917 -1.778 -8.815 1.00 25.51 C ATOM 193 CZ TYR A 12 -3.721 -1.025 -9.952 1.00 24.33 C ATOM 194 OH TYR A 12 -3.628 -1.651 -11.176 1.00 34.34 O ATOM 0 H TYR A 12 -1.980 -0.464 -5.457 1.00 44.15 H new ATOM 0 HA TYR A 12 -2.427 2.329 -6.236 1.00 22.14 H new ATOM 0 HB2 TYR A 12 -4.419 0.192 -5.393 1.00 10.43 H new ATOM 0 HB3 TYR A 12 -4.779 1.711 -6.189 1.00 10.43 H new ATOM 0 HD1 TYR A 12 -3.638 2.045 -8.574 1.00 42.21 H new ATOM 0 HD2 TYR A 12 -4.179 -1.750 -6.700 1.00 31.03 H new ATOM 0 HE1 TYR A 12 -3.463 0.937 -10.763 1.00 31.25 H new ATOM 0 HE2 TYR A 12 -3.991 -2.853 -8.884 1.00 25.51 H new ATOM 0 HH TYR A 12 -3.050 -1.126 -11.769 1.00 34.34 H new ATOM 204 N VAL A 13 -2.460 3.269 -3.924 1.00 34.30 N ATOM 205 CA VAL A 13 -2.565 3.887 -2.594 1.00 21.31 C ATOM 206 C VAL A 13 -3.735 4.878 -2.510 1.00 33.13 C ATOM 207 O VAL A 13 -4.084 5.539 -3.493 1.00 22.30 O ATOM 208 CB VAL A 13 -1.259 4.623 -2.201 1.00 1.32 C ATOM 209 CG1 VAL A 13 -0.098 3.643 -2.081 1.00 40.24 C ATOM 210 CG2 VAL A 13 -0.935 5.729 -3.202 1.00 4.34 C ATOM 0 H VAL A 13 -2.018 3.860 -4.629 1.00 34.30 H new ATOM 0 HA VAL A 13 -2.743 3.068 -1.897 1.00 21.31 H new ATOM 0 HB VAL A 13 -1.413 5.085 -1.226 1.00 1.32 H new ATOM 0 HG11 VAL A 13 0.807 4.183 -1.804 1.00 40.24 H new ATOM 0 HG12 VAL A 13 -0.326 2.901 -1.316 1.00 40.24 H new ATOM 0 HG13 VAL A 13 0.056 3.143 -3.037 1.00 40.24 H new ATOM 0 HG21 VAL A 13 -0.014 6.231 -2.904 1.00 4.34 H new ATOM 0 HG22 VAL A 13 -0.808 5.296 -4.194 1.00 4.34 H new ATOM 0 HG23 VAL A 13 -1.751 6.451 -3.223 1.00 4.34 H new ATOM 220 N GLN A 14 -4.334 4.971 -1.324 1.00 1.41 N ATOM 221 CA GLN A 14 -5.397 5.948 -1.055 1.00 51.34 C ATOM 222 C GLN A 14 -4.931 6.984 -0.021 1.00 42.34 C ATOM 223 O GLN A 14 -4.053 6.706 0.801 1.00 40.33 O ATOM 224 CB GLN A 14 -6.681 5.241 -0.569 1.00 20.42 C ATOM 225 CG GLN A 14 -7.867 5.404 -1.520 1.00 13.50 C ATOM 226 CD GLN A 14 -8.307 6.853 -1.684 1.00 12.31 C ATOM 227 OE1 GLN A 14 -8.199 7.663 -0.765 1.00 52.03 O ATOM 228 NE2 GLN A 14 -8.794 7.198 -2.859 1.00 4.12 N ATOM 0 H GLN A 14 -4.102 4.379 -0.527 1.00 1.41 H new ATOM 0 HA GLN A 14 -5.623 6.467 -1.986 1.00 51.34 H new ATOM 0 HB2 GLN A 14 -6.474 4.179 -0.439 1.00 20.42 H new ATOM 0 HB3 GLN A 14 -6.954 5.635 0.410 1.00 20.42 H new ATOM 0 HG2 GLN A 14 -7.601 4.999 -2.496 1.00 13.50 H new ATOM 0 HG3 GLN A 14 -8.706 4.816 -1.149 1.00 13.50 H new ATOM 0 HE21 GLN A 14 -8.872 6.504 -3.603 1.00 4.12 H new ATOM 0 HE22 GLN A 14 -9.093 8.159 -3.025 1.00 4.12 H new ATOM 237 N ILE A 15 -5.535 8.171 -0.058 1.00 23.41 N ATOM 238 CA ILE A 15 -5.136 9.273 0.822 1.00 13.22 C ATOM 239 C ILE A 15 -5.502 8.992 2.290 1.00 21.43 C ATOM 240 O ILE A 15 -6.581 9.357 2.762 1.00 62.34 O ATOM 241 CB ILE A 15 -5.778 10.612 0.371 1.00 33.25 C ATOM 242 CG1 ILE A 15 -5.431 10.908 -1.100 1.00 41.32 C ATOM 243 CG2 ILE A 15 -5.327 11.765 1.274 1.00 51.01 C ATOM 244 CD1 ILE A 15 -3.951 11.109 -1.362 1.00 3.14 C ATOM 0 H ILE A 15 -6.304 8.396 -0.689 1.00 23.41 H new ATOM 0 HA ILE A 15 -4.052 9.357 0.748 1.00 13.22 H new ATOM 0 HB ILE A 15 -6.860 10.517 0.458 1.00 33.25 H new ATOM 0 HG12 ILE A 15 -5.789 10.085 -1.719 1.00 41.32 H new ATOM 0 HG13 ILE A 15 -5.969 11.802 -1.416 1.00 41.32 H new ATOM 0 HG21 ILE A 15 -5.790 12.693 0.938 1.00 51.01 H new ATOM 0 HG22 ILE A 15 -5.627 11.561 2.302 1.00 51.01 H new ATOM 0 HG23 ILE A 15 -4.242 11.862 1.225 1.00 51.01 H new ATOM 0 HD11 ILE A 15 -3.793 11.312 -2.421 1.00 3.14 H new ATOM 0 HD12 ILE A 15 -3.588 11.951 -0.773 1.00 3.14 H new ATOM 0 HD13 ILE A 15 -3.406 10.208 -1.081 1.00 3.14 H new ATOM 256 N THR A 16 -4.608 8.300 2.992 1.00 74.11 N ATOM 257 CA THR A 16 -4.762 8.042 4.430 1.00 62.04 C ATOM 258 C THR A 16 -4.389 9.278 5.254 1.00 22.31 C ATOM 259 O THR A 16 -5.083 9.640 6.206 1.00 74.13 O ATOM 260 CB THR A 16 -3.880 6.855 4.878 1.00 24.44 C ATOM 261 OG1 THR A 16 -2.509 7.116 4.548 1.00 50.13 O ATOM 262 CG2 THR A 16 -4.325 5.561 4.210 1.00 65.45 C ATOM 0 H THR A 16 -3.760 7.903 2.588 1.00 74.11 H new ATOM 0 HA THR A 16 -5.810 7.797 4.602 1.00 62.04 H new ATOM 0 HB THR A 16 -3.985 6.742 5.957 1.00 24.44 H new ATOM 0 HG1 THR A 16 -1.931 6.790 5.269 1.00 50.13 H new ATOM 0 HG21 THR A 16 -3.688 4.742 4.543 1.00 65.45 H new ATOM 0 HG22 THR A 16 -5.359 5.349 4.481 1.00 65.45 H new ATOM 0 HG23 THR A 16 -4.247 5.665 3.128 1.00 65.45 H new ATOM 270 N VAL A 17 -3.269 9.901 4.890 1.00 33.12 N ATOM 271 CA VAL A 17 -2.821 11.165 5.493 1.00 24.13 C ATOM 272 C VAL A 17 -2.260 12.114 4.420 1.00 65.11 C ATOM 273 O VAL A 17 -1.429 11.717 3.602 1.00 4.31 O ATOM 274 CB VAL A 17 -1.737 10.931 6.580 1.00 71.45 C ATOM 275 CG1 VAL A 17 -2.343 10.303 7.832 1.00 64.41 C ATOM 276 CG2 VAL A 17 -0.603 10.059 6.034 1.00 32.50 C ATOM 0 H VAL A 17 -2.642 9.546 4.168 1.00 33.12 H new ATOM 0 HA VAL A 17 -3.694 11.618 5.962 1.00 24.13 H new ATOM 0 HB VAL A 17 -1.323 11.901 6.856 1.00 71.45 H new ATOM 0 HG11 VAL A 17 -1.562 10.150 8.577 1.00 64.41 H new ATOM 0 HG12 VAL A 17 -3.107 10.966 8.238 1.00 64.41 H new ATOM 0 HG13 VAL A 17 -2.793 9.344 7.576 1.00 64.41 H new ATOM 0 HG21 VAL A 17 0.146 9.907 6.811 1.00 32.50 H new ATOM 0 HG22 VAL A 17 -1.004 9.094 5.723 1.00 32.50 H new ATOM 0 HG23 VAL A 17 -0.143 10.554 5.179 1.00 32.50 H new ATOM 286 N ASP A 18 -2.706 13.369 4.428 1.00 42.53 N ATOM 287 CA ASP A 18 -2.291 14.338 3.407 1.00 15.21 C ATOM 288 C ASP A 18 -1.629 15.589 4.015 1.00 41.40 C ATOM 289 O ASP A 18 -1.862 15.938 5.174 1.00 31.52 O ATOM 290 CB ASP A 18 -3.504 14.758 2.567 1.00 53.22 C ATOM 291 CG ASP A 18 -4.492 15.598 3.360 1.00 43.03 C ATOM 292 OD1 ASP A 18 -5.213 15.036 4.213 1.00 73.25 O ATOM 293 OD2 ASP A 18 -4.542 16.828 3.147 1.00 23.01 O ATOM 0 H ASP A 18 -3.351 13.740 5.125 1.00 42.53 H new ATOM 0 HA ASP A 18 -1.547 13.846 2.780 1.00 15.21 H new ATOM 0 HB2 ASP A 18 -3.164 15.324 1.699 1.00 53.22 H new ATOM 0 HB3 ASP A 18 -4.008 13.868 2.190 1.00 53.22 H new ATOM 298 N GLY A 19 -0.777 16.237 3.220 1.00 3.02 N ATOM 299 CA GLY A 19 -0.245 17.554 3.566 1.00 42.53 C ATOM 300 C GLY A 19 0.697 17.591 4.771 1.00 72.22 C ATOM 301 O GLY A 19 1.134 18.672 5.173 1.00 35.11 O ATOM 0 H GLY A 19 -0.440 15.870 2.330 1.00 3.02 H new ATOM 0 HA2 GLY A 19 0.286 17.950 2.700 1.00 42.53 H new ATOM 0 HA3 GLY A 19 -1.082 18.224 3.761 1.00 42.53 H new ATOM 305 N LYS A 20 1.036 16.439 5.352 1.00 3.12 N ATOM 306 CA LYS A 20 1.937 16.430 6.510 1.00 15.01 C ATOM 307 C LYS A 20 3.387 16.668 6.054 1.00 40.32 C ATOM 308 O LYS A 20 4.125 15.746 5.708 1.00 72.13 O ATOM 309 CB LYS A 20 1.788 15.138 7.342 1.00 33.41 C ATOM 310 CG LYS A 20 2.144 13.847 6.613 1.00 42.41 C ATOM 311 CD LYS A 20 1.909 12.625 7.498 1.00 2.35 C ATOM 312 CE LYS A 20 2.510 11.363 6.897 1.00 40.44 C ATOM 313 NZ LYS A 20 3.994 11.411 6.886 1.00 43.25 N ATOM 0 H LYS A 20 0.711 15.520 5.051 1.00 3.12 H new ATOM 0 HA LYS A 20 1.656 17.249 7.172 1.00 15.01 H new ATOM 0 HB2 LYS A 20 2.418 15.221 8.227 1.00 33.41 H new ATOM 0 HB3 LYS A 20 0.757 15.067 7.690 1.00 33.41 H new ATOM 0 HG2 LYS A 20 1.545 13.762 5.706 1.00 42.41 H new ATOM 0 HG3 LYS A 20 3.189 13.878 6.303 1.00 42.41 H new ATOM 0 HD2 LYS A 20 2.344 12.801 8.482 1.00 2.35 H new ATOM 0 HD3 LYS A 20 0.838 12.483 7.643 1.00 2.35 H new ATOM 0 HE2 LYS A 20 2.178 10.495 7.467 1.00 40.44 H new ATOM 0 HE3 LYS A 20 2.143 11.235 5.879 1.00 40.44 H new ATOM 0 HZ1 LYS A 20 4.358 10.741 6.178 1.00 43.25 H new ATOM 0 HZ2 LYS A 20 4.308 12.373 6.646 1.00 43.25 H new ATOM 0 HZ3 LYS A 20 4.357 11.152 7.826 1.00 43.25 H new ATOM 327 N GLU A 21 3.760 17.941 6.013 1.00 2.24 N ATOM 328 CA GLU A 21 5.038 18.374 5.445 1.00 52.01 C ATOM 329 C GLU A 21 6.249 18.020 6.322 1.00 23.11 C ATOM 330 O GLU A 21 6.162 17.953 7.552 1.00 5.44 O ATOM 331 CB GLU A 21 5.014 19.888 5.220 1.00 41.04 C ATOM 332 CG GLU A 21 4.730 20.673 6.494 1.00 1.24 C ATOM 333 CD GLU A 21 5.023 22.149 6.359 1.00 33.34 C ATOM 334 OE1 GLU A 21 4.238 22.856 5.694 1.00 2.45 O ATOM 335 OE2 GLU A 21 6.046 22.605 6.917 1.00 24.43 O ATOM 0 H GLU A 21 3.188 18.705 6.372 1.00 2.24 H new ATOM 0 HA GLU A 21 5.155 17.837 4.504 1.00 52.01 H new ATOM 0 HB2 GLU A 21 5.973 20.204 4.811 1.00 41.04 H new ATOM 0 HB3 GLU A 21 4.255 20.127 4.475 1.00 41.04 H new ATOM 0 HG2 GLU A 21 3.684 20.540 6.770 1.00 1.24 H new ATOM 0 HG3 GLU A 21 5.329 20.263 7.307 1.00 1.24 H new ATOM 342 N VAL A 22 7.383 17.820 5.658 1.00 23.15 N ATOM 343 CA VAL A 22 8.669 17.606 6.317 1.00 0.51 C ATOM 344 C VAL A 22 9.713 18.635 5.835 1.00 74.32 C ATOM 345 O VAL A 22 10.379 18.447 4.814 1.00 33.14 O ATOM 346 CB VAL A 22 9.194 16.162 6.084 1.00 75.13 C ATOM 347 CG1 VAL A 22 8.378 15.155 6.894 1.00 20.32 C ATOM 348 CG2 VAL A 22 9.164 15.796 4.597 1.00 2.25 C ATOM 0 H VAL A 22 7.437 17.802 4.640 1.00 23.15 H new ATOM 0 HA VAL A 22 8.512 17.742 7.387 1.00 0.51 H new ATOM 0 HB VAL A 22 10.230 16.126 6.422 1.00 75.13 H new ATOM 0 HG11 VAL A 22 8.761 14.150 6.717 1.00 20.32 H new ATOM 0 HG12 VAL A 22 8.457 15.392 7.955 1.00 20.32 H new ATOM 0 HG13 VAL A 22 7.333 15.204 6.588 1.00 20.32 H new ATOM 0 HG21 VAL A 22 9.537 14.780 4.465 1.00 2.25 H new ATOM 0 HG22 VAL A 22 8.140 15.858 4.228 1.00 2.25 H new ATOM 0 HG23 VAL A 22 9.793 16.489 4.039 1.00 2.25 H new ATOM 358 N HIS A 23 9.836 19.747 6.565 1.00 33.21 N ATOM 359 CA HIS A 23 10.835 20.774 6.235 1.00 74.13 C ATOM 360 C HIS A 23 12.165 20.510 6.966 1.00 75.31 C ATOM 361 O HIS A 23 12.974 21.422 7.155 1.00 43.12 O ATOM 362 CB HIS A 23 10.306 22.189 6.545 1.00 62.43 C ATOM 363 CG HIS A 23 9.864 22.422 7.965 1.00 24.20 C ATOM 364 ND1 HIS A 23 8.549 22.637 8.318 1.00 43.43 N ATOM 365 CD2 HIS A 23 10.576 22.537 9.114 1.00 5.25 C ATOM 366 CE1 HIS A 23 8.473 22.877 9.612 1.00 53.53 C ATOM 367 NE2 HIS A 23 9.686 22.820 10.118 1.00 53.10 N ATOM 0 H HIS A 23 9.263 19.961 7.382 1.00 33.21 H new ATOM 0 HA HIS A 23 11.025 20.717 5.163 1.00 74.13 H new ATOM 0 HB2 HIS A 23 11.087 22.910 6.304 1.00 62.43 H new ATOM 0 HB3 HIS A 23 9.465 22.396 5.883 1.00 62.43 H new ATOM 0 HD1 HIS A 23 7.756 22.614 7.676 1.00 43.43 H new ATOM 0 HD2 HIS A 23 11.645 22.426 9.219 1.00 5.25 H new ATOM 0 HE1 HIS A 23 7.568 23.085 10.163 1.00 53.53 H new ATOM 0 HE2 HIS A 23 9.926 22.963 11.099 1.00 53.10 H new ATOM 376 N SER A 24 12.367 19.249 7.374 1.00 42.42 N ATOM 377 CA SER A 24 13.607 18.794 8.023 1.00 34.13 C ATOM 378 C SER A 24 13.865 19.526 9.346 1.00 11.45 C ATOM 379 O SER A 24 13.553 19.019 10.424 1.00 63.50 O ATOM 380 CB SER A 24 14.805 18.961 7.074 1.00 74.20 C ATOM 381 OG SER A 24 16.011 18.515 7.670 1.00 1.30 O ATOM 0 H SER A 24 11.671 18.511 7.263 1.00 42.42 H new ATOM 0 HA SER A 24 13.483 17.736 8.254 1.00 34.13 H new ATOM 0 HB2 SER A 24 14.624 18.401 6.157 1.00 74.20 H new ATOM 0 HB3 SER A 24 14.904 20.010 6.793 1.00 74.20 H new ATOM 0 HG SER A 24 16.751 18.634 7.039 1.00 1.30 H new ATOM 387 N LYS A 25 14.407 20.731 9.243 1.00 1.25 N ATOM 388 CA LYS A 25 14.746 21.550 10.412 1.00 3.44 C ATOM 389 C LYS A 25 14.943 23.018 10.005 1.00 1.34 C ATOM 390 O LYS A 25 15.548 23.805 10.732 1.00 25.44 O ATOM 391 CB LYS A 25 16.020 21.011 11.085 1.00 25.12 C ATOM 392 CG LYS A 25 17.239 20.970 10.164 1.00 51.51 C ATOM 393 CD LYS A 25 18.467 20.401 10.876 1.00 62.13 C ATOM 394 CE LYS A 25 19.694 20.363 9.964 1.00 12.12 C ATOM 395 NZ LYS A 25 20.889 19.803 10.656 1.00 14.34 N ATOM 0 H LYS A 25 14.626 21.174 8.351 1.00 1.25 H new ATOM 0 HA LYS A 25 13.921 21.496 11.122 1.00 3.44 H new ATOM 0 HB2 LYS A 25 16.252 21.632 11.950 1.00 25.12 H new ATOM 0 HB3 LYS A 25 15.824 20.005 11.457 1.00 25.12 H new ATOM 0 HG2 LYS A 25 17.013 20.363 9.288 1.00 51.51 H new ATOM 0 HG3 LYS A 25 17.459 21.976 9.807 1.00 51.51 H new ATOM 0 HD2 LYS A 25 18.688 21.006 11.756 1.00 62.13 H new ATOM 0 HD3 LYS A 25 18.247 19.394 11.229 1.00 62.13 H new ATOM 0 HE2 LYS A 25 19.471 19.762 9.082 1.00 12.12 H new ATOM 0 HE3 LYS A 25 19.917 21.371 9.615 1.00 12.12 H new ATOM 0 HZ1 LYS A 25 21.697 19.796 10.002 1.00 14.34 H new ATOM 0 HZ2 LYS A 25 21.118 20.390 11.483 1.00 14.34 H new ATOM 0 HZ3 LYS A 25 20.687 18.831 10.967 1.00 14.34 H new ATOM 409 N ALA A 26 14.388 23.384 8.852 1.00 50.12 N ATOM 410 CA ALA A 26 14.583 24.717 8.268 1.00 34.23 C ATOM 411 C ALA A 26 13.707 25.796 8.929 1.00 4.33 C ATOM 412 O ALA A 26 13.429 26.827 8.319 1.00 11.01 O ATOM 413 CB ALA A 26 14.296 24.660 6.774 1.00 3.10 C ATOM 0 H ALA A 26 13.792 22.771 8.295 1.00 50.12 H new ATOM 0 HA ALA A 26 15.620 25.001 8.447 1.00 34.23 H new ATOM 0 HB1 ALA A 26 14.440 25.649 6.338 1.00 3.10 H new ATOM 0 HB2 ALA A 26 14.975 23.952 6.300 1.00 3.10 H new ATOM 0 HB3 ALA A 26 13.267 24.339 6.613 1.00 3.10 H new ATOM 419 N ASP A 27 13.291 25.573 10.171 1.00 52.53 N ATOM 420 CA ASP A 27 12.449 26.535 10.888 1.00 63.35 C ATOM 421 C ASP A 27 13.119 27.922 10.966 1.00 74.23 C ATOM 422 O ASP A 27 14.300 28.037 11.310 1.00 5.12 O ATOM 423 CB ASP A 27 12.136 26.006 12.292 1.00 5.31 C ATOM 424 CG ASP A 27 11.417 24.670 12.246 1.00 2.14 C ATOM 425 OD1 ASP A 27 10.170 24.657 12.204 1.00 51.31 O ATOM 426 OD2 ASP A 27 12.093 23.620 12.229 1.00 63.44 O ATOM 0 H ASP A 27 13.521 24.735 10.706 1.00 52.53 H new ATOM 0 HA ASP A 27 11.517 26.653 10.335 1.00 63.35 H new ATOM 0 HB2 ASP A 27 13.063 25.900 12.855 1.00 5.31 H new ATOM 0 HB3 ASP A 27 11.521 26.731 12.824 1.00 5.31 H new ATOM 431 N ASN A 28 12.356 28.962 10.621 1.00 4.41 N ATOM 432 CA ASN A 28 12.858 30.348 10.580 1.00 73.13 C ATOM 433 C ASN A 28 13.958 30.508 9.499 1.00 31.13 C ATOM 434 O ASN A 28 14.849 31.355 9.609 1.00 5.23 O ATOM 435 CB ASN A 28 13.378 30.778 11.967 1.00 52.53 C ATOM 436 CG ASN A 28 13.483 32.288 12.121 1.00 63.00 C ATOM 437 OD1 ASN A 28 13.655 33.022 11.153 1.00 24.11 O ATOM 438 ND2 ASN A 28 13.387 32.767 13.342 1.00 12.54 N ATOM 0 H ASN A 28 11.374 28.873 10.362 1.00 4.41 H new ATOM 0 HA ASN A 28 12.029 31.003 10.310 1.00 73.13 H new ATOM 0 HB2 ASN A 28 12.713 30.385 12.736 1.00 52.53 H new ATOM 0 HB3 ASN A 28 14.358 30.332 12.136 1.00 52.53 H new ATOM 0 HD21 ASN A 28 13.455 33.772 13.502 1.00 12.54 H new ATOM 0 HD22 ASN A 28 13.244 32.134 14.129 1.00 12.54 H new ATOM 445 N GLY A 29 13.883 29.686 8.457 1.00 64.31 N ATOM 446 CA GLY A 29 14.810 29.790 7.332 1.00 5.13 C ATOM 447 C GLY A 29 14.545 28.735 6.262 1.00 70.05 C ATOM 448 O GLY A 29 15.468 28.074 5.781 1.00 34.31 O ATOM 0 H GLY A 29 13.192 28.941 8.367 1.00 64.31 H new ATOM 0 HA2 GLY A 29 14.729 30.782 6.888 1.00 5.13 H new ATOM 0 HA3 GLY A 29 15.832 29.686 7.696 1.00 5.13 H new ATOM 452 N GLN A 30 13.277 28.580 5.882 1.00 61.24 N ATOM 453 CA GLN A 30 12.868 27.505 4.974 1.00 13.25 C ATOM 454 C GLN A 30 13.132 27.845 3.497 1.00 74.41 C ATOM 455 O GLN A 30 12.295 28.464 2.833 1.00 4.11 O ATOM 456 CB GLN A 30 11.372 27.158 5.138 1.00 1.34 C ATOM 457 CG GLN A 30 10.895 26.962 6.579 1.00 12.15 C ATOM 458 CD GLN A 30 10.563 28.270 7.289 1.00 41.45 C ATOM 459 OE1 GLN A 30 11.414 28.890 7.908 1.00 52.04 O ATOM 460 NE2 GLN A 30 9.326 28.706 7.189 1.00 73.05 N ATOM 0 H GLN A 30 12.514 29.184 6.188 1.00 61.24 H new ATOM 0 HA GLN A 30 13.478 26.645 5.250 1.00 13.25 H new ATOM 0 HB2 GLN A 30 10.781 27.953 4.683 1.00 1.34 H new ATOM 0 HB3 GLN A 30 11.165 26.246 4.578 1.00 1.34 H new ATOM 0 HG2 GLN A 30 10.012 26.323 6.578 1.00 12.15 H new ATOM 0 HG3 GLN A 30 11.667 26.437 7.142 1.00 12.15 H new ATOM 0 HE21 GLN A 30 8.636 28.167 6.665 1.00 73.05 H new ATOM 0 HE22 GLN A 30 9.057 29.583 7.635 1.00 73.05 H new ATOM 469 N LYS A 31 14.299 27.450 2.988 1.00 71.31 N ATOM 470 CA LYS A 31 14.549 27.465 1.535 1.00 20.31 C ATOM 471 C LYS A 31 14.133 26.122 0.915 1.00 54.41 C ATOM 472 O LYS A 31 14.214 25.917 -0.294 1.00 53.21 O ATOM 473 CB LYS A 31 16.026 27.747 1.227 1.00 43.24 C ATOM 474 CG LYS A 31 16.535 29.080 1.767 1.00 0.35 C ATOM 475 CD LYS A 31 17.940 29.387 1.256 1.00 45.51 C ATOM 476 CE LYS A 31 18.507 30.662 1.866 1.00 34.33 C ATOM 477 NZ LYS A 31 19.808 31.036 1.254 1.00 53.22 N ATOM 0 H LYS A 31 15.083 27.118 3.549 1.00 71.31 H new ATOM 0 HA LYS A 31 13.952 28.266 1.099 1.00 20.31 H new ATOM 0 HB2 LYS A 31 16.632 26.943 1.645 1.00 43.24 H new ATOM 0 HB3 LYS A 31 16.170 27.727 0.147 1.00 43.24 H new ATOM 0 HG2 LYS A 31 15.855 29.878 1.469 1.00 0.35 H new ATOM 0 HG3 LYS A 31 16.540 29.055 2.857 1.00 0.35 H new ATOM 0 HD2 LYS A 31 18.600 28.551 1.487 1.00 45.51 H new ATOM 0 HD3 LYS A 31 17.917 29.484 0.171 1.00 45.51 H new ATOM 0 HE2 LYS A 31 17.795 31.477 1.732 1.00 34.33 H new ATOM 0 HE3 LYS A 31 18.637 30.525 2.940 1.00 34.33 H new ATOM 0 HZ1 LYS A 31 20.161 31.909 1.696 1.00 53.22 H new ATOM 0 HZ2 LYS A 31 20.495 30.270 1.403 1.00 53.22 H new ATOM 0 HZ3 LYS A 31 19.680 31.192 0.234 1.00 53.22 H new ATOM 491 N TYR A 32 13.687 25.218 1.777 1.00 32.22 N ATOM 492 CA TYR A 32 13.198 23.898 1.377 1.00 32.13 C ATOM 493 C TYR A 32 12.076 23.453 2.324 1.00 52.13 C ATOM 494 O TYR A 32 12.177 23.623 3.542 1.00 45.33 O ATOM 495 CB TYR A 32 14.343 22.874 1.359 1.00 53.14 C ATOM 496 CG TYR A 32 15.104 22.748 2.672 1.00 12.11 C ATOM 497 CD1 TYR A 32 15.880 23.799 3.154 1.00 43.42 C ATOM 498 CD2 TYR A 32 15.053 21.579 3.422 1.00 22.32 C ATOM 499 CE1 TYR A 32 16.580 23.686 4.338 1.00 75.13 C ATOM 500 CE2 TYR A 32 15.754 21.459 4.608 1.00 23.54 C ATOM 501 CZ TYR A 32 16.515 22.517 5.061 1.00 34.03 C ATOM 502 OH TYR A 32 17.217 22.406 6.243 1.00 41.14 O ATOM 0 H TYR A 32 13.653 25.378 2.784 1.00 32.22 H new ATOM 0 HA TYR A 32 12.797 23.961 0.365 1.00 32.13 H new ATOM 0 HB2 TYR A 32 13.935 21.898 1.096 1.00 53.14 H new ATOM 0 HB3 TYR A 32 15.046 23.149 0.572 1.00 53.14 H new ATOM 0 HD1 TYR A 32 15.935 24.719 2.591 1.00 43.42 H new ATOM 0 HD2 TYR A 32 14.456 20.750 3.073 1.00 22.32 H new ATOM 0 HE1 TYR A 32 17.177 24.512 4.696 1.00 75.13 H new ATOM 0 HE2 TYR A 32 15.706 20.542 5.177 1.00 23.54 H new ATOM 0 HH TYR A 32 17.065 21.519 6.632 1.00 41.14 H new ATOM 512 N LYS A 33 11.006 22.904 1.763 1.00 45.45 N ATOM 513 CA LYS A 33 9.793 22.619 2.533 1.00 71.54 C ATOM 514 C LYS A 33 8.848 21.720 1.721 1.00 71.32 C ATOM 515 O LYS A 33 8.053 22.205 0.914 1.00 33.33 O ATOM 516 CB LYS A 33 9.125 23.959 2.896 1.00 4.25 C ATOM 517 CG LYS A 33 8.019 23.887 3.943 1.00 60.42 C ATOM 518 CD LYS A 33 7.743 25.276 4.524 1.00 22.03 C ATOM 519 CE LYS A 33 6.593 25.281 5.517 1.00 51.44 C ATOM 520 NZ LYS A 33 5.282 25.024 4.866 1.00 23.15 N ATOM 0 H LYS A 33 10.949 22.646 0.778 1.00 45.45 H new ATOM 0 HA LYS A 33 10.040 22.083 3.449 1.00 71.54 H new ATOM 0 HB2 LYS A 33 9.895 24.642 3.255 1.00 4.25 H new ATOM 0 HB3 LYS A 33 8.711 24.395 1.987 1.00 4.25 H new ATOM 0 HG2 LYS A 33 7.110 23.486 3.494 1.00 60.42 H new ATOM 0 HG3 LYS A 33 8.309 23.203 4.741 1.00 60.42 H new ATOM 0 HD2 LYS A 33 8.643 25.645 5.016 1.00 22.03 H new ATOM 0 HD3 LYS A 33 7.518 25.967 3.711 1.00 22.03 H new ATOM 0 HE2 LYS A 33 6.772 24.523 6.280 1.00 51.44 H new ATOM 0 HE3 LYS A 33 6.560 26.244 6.026 1.00 51.44 H new ATOM 0 HZ1 LYS A 33 4.526 25.481 5.415 1.00 23.15 H new ATOM 0 HZ2 LYS A 33 5.292 25.412 3.901 1.00 23.15 H new ATOM 0 HZ3 LYS A 33 5.110 23.999 4.825 1.00 23.15 H new ATOM 534 N ASP A 34 8.969 20.407 1.906 1.00 53.33 N ATOM 535 CA ASP A 34 8.241 19.432 1.083 1.00 31.01 C ATOM 536 C ASP A 34 7.058 18.807 1.839 1.00 21.10 C ATOM 537 O ASP A 34 7.139 18.559 3.040 1.00 64.45 O ATOM 538 CB ASP A 34 9.204 18.328 0.628 1.00 72.52 C ATOM 539 CG ASP A 34 10.455 18.893 -0.024 1.00 5.32 C ATOM 540 OD1 ASP A 34 10.409 19.229 -1.228 1.00 71.24 O ATOM 541 OD2 ASP A 34 11.486 19.021 0.670 1.00 11.35 O ATOM 0 H ASP A 34 9.565 19.989 2.620 1.00 53.33 H new ATOM 0 HA ASP A 34 7.837 19.961 0.220 1.00 31.01 H new ATOM 0 HB2 ASP A 34 9.487 17.718 1.486 1.00 72.52 H new ATOM 0 HB3 ASP A 34 8.694 17.671 -0.076 1.00 72.52 H new ATOM 546 N TYR A 35 5.961 18.554 1.127 1.00 64.44 N ATOM 547 CA TYR A 35 4.808 17.849 1.702 1.00 41.24 C ATOM 548 C TYR A 35 5.024 16.333 1.608 1.00 0.43 C ATOM 549 O TYR A 35 5.480 15.837 0.579 1.00 55.43 O ATOM 550 CB TYR A 35 3.521 18.244 0.962 1.00 63.14 C ATOM 551 CG TYR A 35 3.232 19.733 0.989 1.00 11.13 C ATOM 552 CD1 TYR A 35 2.480 20.295 2.015 1.00 40.01 C ATOM 553 CD2 TYR A 35 3.711 20.575 -0.012 1.00 32.43 C ATOM 554 CE1 TYR A 35 2.209 21.650 2.039 1.00 42.25 C ATOM 555 CE2 TYR A 35 3.445 21.930 0.008 1.00 2.34 C ATOM 556 CZ TYR A 35 2.694 22.463 1.034 1.00 44.42 C ATOM 557 OH TYR A 35 2.425 23.815 1.050 1.00 41.23 O ATOM 0 H TYR A 35 5.843 18.825 0.151 1.00 64.44 H new ATOM 0 HA TYR A 35 4.709 18.131 2.750 1.00 41.24 H new ATOM 0 HB2 TYR A 35 3.594 17.916 -0.075 1.00 63.14 H new ATOM 0 HB3 TYR A 35 2.680 17.712 1.406 1.00 63.14 H new ATOM 0 HD1 TYR A 35 2.102 19.663 2.805 1.00 40.01 H new ATOM 0 HD2 TYR A 35 4.300 20.161 -0.817 1.00 32.43 H new ATOM 0 HE1 TYR A 35 1.620 22.071 2.841 1.00 42.25 H new ATOM 0 HE2 TYR A 35 3.823 22.569 -0.776 1.00 2.34 H new ATOM 0 HH TYR A 35 2.841 24.241 0.271 1.00 41.23 H new ATOM 567 N GLU A 36 4.698 15.591 2.665 1.00 73.11 N ATOM 568 CA GLU A 36 4.970 14.145 2.687 1.00 2.33 C ATOM 569 C GLU A 36 3.678 13.333 2.874 1.00 75.40 C ATOM 570 O GLU A 36 2.757 13.754 3.575 1.00 22.14 O ATOM 571 CB GLU A 36 5.996 13.827 3.787 1.00 22.33 C ATOM 572 CG GLU A 36 6.564 12.404 3.738 1.00 34.44 C ATOM 573 CD GLU A 36 6.066 11.532 4.875 1.00 1.11 C ATOM 574 OE1 GLU A 36 6.467 11.775 6.034 1.00 2.52 O ATOM 575 OE2 GLU A 36 5.265 10.608 4.632 1.00 3.13 O ATOM 0 H GLU A 36 4.252 15.955 3.507 1.00 73.11 H new ATOM 0 HA GLU A 36 5.389 13.855 1.724 1.00 2.33 H new ATOM 0 HB2 GLU A 36 6.821 14.536 3.712 1.00 22.33 H new ATOM 0 HB3 GLU A 36 5.528 13.984 4.759 1.00 22.33 H new ATOM 0 HG2 GLU A 36 6.295 11.943 2.788 1.00 34.44 H new ATOM 0 HG3 GLU A 36 7.652 12.451 3.772 1.00 34.44 H new ATOM 582 N TYR A 37 3.619 12.171 2.229 1.00 32.53 N ATOM 583 CA TYR A 37 2.414 11.335 2.216 1.00 21.34 C ATOM 584 C TYR A 37 2.749 9.869 2.532 1.00 64.34 C ATOM 585 O TYR A 37 3.399 9.192 1.736 1.00 13.21 O ATOM 586 CB TYR A 37 1.729 11.415 0.840 1.00 73.22 C ATOM 587 CG TYR A 37 1.310 12.817 0.432 1.00 1.51 C ATOM 588 CD1 TYR A 37 2.240 13.722 -0.078 1.00 63.14 C ATOM 589 CD2 TYR A 37 -0.010 13.237 0.556 1.00 62.44 C ATOM 590 CE1 TYR A 37 1.863 14.997 -0.447 1.00 54.42 C ATOM 591 CE2 TYR A 37 -0.391 14.511 0.186 1.00 74.14 C ATOM 592 CZ TYR A 37 0.549 15.386 -0.314 1.00 10.23 C ATOM 593 OH TYR A 37 0.172 16.658 -0.677 1.00 44.23 O ATOM 0 H TYR A 37 4.400 11.780 1.702 1.00 32.53 H new ATOM 0 HA TYR A 37 1.740 11.711 2.986 1.00 21.34 H new ATOM 0 HB2 TYR A 37 2.408 11.017 0.085 1.00 73.22 H new ATOM 0 HB3 TYR A 37 0.848 10.773 0.847 1.00 73.22 H new ATOM 0 HD1 TYR A 37 3.271 13.420 -0.186 1.00 63.14 H new ATOM 0 HD2 TYR A 37 -0.750 12.555 0.948 1.00 62.44 H new ATOM 0 HE1 TYR A 37 2.596 15.687 -0.839 1.00 54.42 H new ATOM 0 HE2 TYR A 37 -1.421 14.821 0.288 1.00 74.14 H new ATOM 0 HH TYR A 37 0.794 17.004 -1.351 1.00 44.23 H new ATOM 603 N LYS A 38 2.311 9.391 3.696 1.00 74.22 N ATOM 604 CA LYS A 38 2.474 7.981 4.075 1.00 31.01 C ATOM 605 C LYS A 38 1.141 7.237 3.904 1.00 74.23 C ATOM 606 O LYS A 38 0.330 7.165 4.829 1.00 54.43 O ATOM 607 CB LYS A 38 2.972 7.876 5.525 1.00 63.00 C ATOM 608 CG LYS A 38 3.290 6.452 5.978 1.00 40.40 C ATOM 609 CD LYS A 38 3.683 6.407 7.452 1.00 11.42 C ATOM 610 CE LYS A 38 3.983 4.988 7.919 1.00 1.41 C ATOM 611 NZ LYS A 38 5.217 4.438 7.293 1.00 71.34 N ATOM 0 H LYS A 38 1.838 9.960 4.398 1.00 74.22 H new ATOM 0 HA LYS A 38 3.216 7.519 3.424 1.00 31.01 H new ATOM 0 HB2 LYS A 38 3.867 8.488 5.635 1.00 63.00 H new ATOM 0 HB3 LYS A 38 2.215 8.296 6.188 1.00 63.00 H new ATOM 0 HG2 LYS A 38 2.422 5.814 5.813 1.00 40.40 H new ATOM 0 HG3 LYS A 38 4.101 6.049 5.372 1.00 40.40 H new ATOM 0 HD2 LYS A 38 4.559 7.035 7.613 1.00 11.42 H new ATOM 0 HD3 LYS A 38 2.877 6.825 8.055 1.00 11.42 H new ATOM 0 HE2 LYS A 38 4.093 4.980 9.003 1.00 1.41 H new ATOM 0 HE3 LYS A 38 3.138 4.342 7.680 1.00 1.41 H new ATOM 0 HZ1 LYS A 38 5.072 3.434 7.064 1.00 71.34 H new ATOM 0 HZ2 LYS A 38 5.429 4.965 6.422 1.00 71.34 H new ATOM 0 HZ3 LYS A 38 6.013 4.531 7.955 1.00 71.34 H new ATOM 625 N LEU A 39 0.915 6.706 2.706 1.00 22.44 N ATOM 626 CA LEU A 39 -0.393 6.155 2.333 1.00 71.42 C ATOM 627 C LEU A 39 -0.398 4.619 2.342 1.00 25.40 C ATOM 628 O LEU A 39 0.592 3.980 1.991 1.00 2.53 O ATOM 629 CB LEU A 39 -0.782 6.663 0.935 1.00 1.32 C ATOM 630 CG LEU A 39 -0.611 8.177 0.705 1.00 2.25 C ATOM 631 CD1 LEU A 39 -1.079 8.570 -0.695 1.00 73.22 C ATOM 632 CD2 LEU A 39 -1.345 8.987 1.769 1.00 55.02 C ATOM 0 H LEU A 39 1.620 6.643 1.972 1.00 22.44 H new ATOM 0 HA LEU A 39 -1.118 6.491 3.074 1.00 71.42 H new ATOM 0 HB2 LEU A 39 -0.183 6.131 0.195 1.00 1.32 H new ATOM 0 HB3 LEU A 39 -1.824 6.401 0.750 1.00 1.32 H new ATOM 0 HG LEU A 39 0.451 8.407 0.787 1.00 2.25 H new ATOM 0 HD11 LEU A 39 -0.949 9.643 -0.834 1.00 73.22 H new ATOM 0 HD12 LEU A 39 -0.491 8.033 -1.439 1.00 73.22 H new ATOM 0 HD13 LEU A 39 -2.132 8.314 -0.812 1.00 73.22 H new ATOM 0 HD21 LEU A 39 -1.204 10.051 1.578 1.00 55.02 H new ATOM 0 HD22 LEU A 39 -2.408 8.750 1.737 1.00 55.02 H new ATOM 0 HD23 LEU A 39 -0.947 8.740 2.753 1.00 55.02 H new ATOM 644 N THR A 40 -1.523 4.028 2.738 1.00 3.33 N ATOM 645 CA THR A 40 -1.682 2.568 2.700 1.00 35.24 C ATOM 646 C THR A 40 -1.864 2.068 1.260 1.00 11.33 C ATOM 647 O THR A 40 -2.832 2.426 0.585 1.00 51.31 O ATOM 648 CB THR A 40 -2.887 2.090 3.553 1.00 53.44 C ATOM 649 OG1 THR A 40 -2.666 2.384 4.944 1.00 53.31 O ATOM 650 CG2 THR A 40 -3.120 0.590 3.387 1.00 44.32 C ATOM 0 H THR A 40 -2.338 4.532 3.088 1.00 3.33 H new ATOM 0 HA THR A 40 -0.768 2.150 3.121 1.00 35.24 H new ATOM 0 HB THR A 40 -3.770 2.624 3.203 1.00 53.44 H new ATOM 0 HG1 THR A 40 -3.435 2.078 5.469 1.00 53.31 H new ATOM 0 HG21 THR A 40 -3.970 0.284 3.996 1.00 44.32 H new ATOM 0 HG22 THR A 40 -3.325 0.367 2.340 1.00 44.32 H new ATOM 0 HG23 THR A 40 -2.231 0.046 3.706 1.00 44.32 H new ATOM 658 N GLY A 41 -0.928 1.247 0.794 1.00 51.25 N ATOM 659 CA GLY A 41 -1.019 0.677 -0.544 1.00 12.23 C ATOM 660 C GLY A 41 -1.491 -0.768 -0.532 1.00 20.41 C ATOM 661 O GLY A 41 -0.939 -1.605 0.186 1.00 33.32 O ATOM 0 H GLY A 41 -0.102 0.963 1.321 1.00 51.25 H new ATOM 0 HA2 GLY A 41 -1.705 1.275 -1.144 1.00 12.23 H new ATOM 0 HA3 GLY A 41 -0.043 0.733 -1.026 1.00 12.23 H new ATOM 665 N PHE A 42 -2.515 -1.065 -1.317 1.00 73.15 N ATOM 666 CA PHE A 42 -3.057 -2.422 -1.387 1.00 44.22 C ATOM 667 C PHE A 42 -2.445 -3.215 -2.548 1.00 45.33 C ATOM 668 O PHE A 42 -2.273 -2.695 -3.655 1.00 52.04 O ATOM 669 CB PHE A 42 -4.584 -2.377 -1.518 1.00 72.11 C ATOM 670 CG PHE A 42 -5.266 -1.727 -0.339 1.00 72.03 C ATOM 671 CD1 PHE A 42 -5.450 -0.351 -0.295 1.00 12.50 C ATOM 672 CD2 PHE A 42 -5.721 -2.492 0.729 1.00 51.43 C ATOM 673 CE1 PHE A 42 -6.070 0.247 0.786 1.00 20.25 C ATOM 674 CE2 PHE A 42 -6.343 -1.898 1.812 1.00 43.03 C ATOM 675 CZ PHE A 42 -6.518 -0.527 1.841 1.00 24.43 C ATOM 0 H PHE A 42 -2.990 -0.389 -1.915 1.00 73.15 H new ATOM 0 HA PHE A 42 -2.793 -2.934 -0.462 1.00 44.22 H new ATOM 0 HB2 PHE A 42 -4.848 -1.834 -2.426 1.00 72.11 H new ATOM 0 HB3 PHE A 42 -4.962 -3.393 -1.633 1.00 72.11 H new ATOM 0 HD1 PHE A 42 -5.104 0.260 -1.116 1.00 12.50 H new ATOM 0 HD2 PHE A 42 -5.587 -3.564 0.713 1.00 51.43 H new ATOM 0 HE1 PHE A 42 -6.205 1.318 0.807 1.00 20.25 H new ATOM 0 HE2 PHE A 42 -6.692 -2.505 2.635 1.00 43.03 H new ATOM 0 HZ PHE A 42 -7.004 -0.061 2.686 1.00 24.43 H new ATOM 685 N ASP A 43 -2.108 -4.478 -2.285 1.00 72.41 N ATOM 686 CA ASP A 43 -1.594 -5.364 -3.326 1.00 41.22 C ATOM 687 C ASP A 43 -2.712 -5.695 -4.325 1.00 70.30 C ATOM 688 O ASP A 43 -3.881 -5.794 -3.950 1.00 23.24 O ATOM 689 CB ASP A 43 -1.028 -6.647 -2.705 1.00 51.22 C ATOM 690 CG ASP A 43 -0.310 -7.522 -3.720 1.00 23.11 C ATOM 691 OD1 ASP A 43 -0.985 -8.308 -4.418 1.00 63.34 O ATOM 692 OD2 ASP A 43 0.933 -7.421 -3.831 1.00 65.33 O ATOM 0 H ASP A 43 -2.182 -4.908 -1.363 1.00 72.41 H new ATOM 0 HA ASP A 43 -0.787 -4.858 -3.856 1.00 41.22 H new ATOM 0 HB2 ASP A 43 -0.337 -6.384 -1.904 1.00 51.22 H new ATOM 0 HB3 ASP A 43 -1.840 -7.215 -2.251 1.00 51.22 H new ATOM 697 N LYS A 44 -2.342 -5.881 -5.586 1.00 74.13 N ATOM 698 CA LYS A 44 -3.316 -6.017 -6.676 1.00 72.21 C ATOM 699 C LYS A 44 -4.172 -7.295 -6.548 1.00 62.05 C ATOM 700 O LYS A 44 -5.177 -7.452 -7.246 1.00 75.42 O ATOM 701 CB LYS A 44 -2.568 -5.964 -8.015 1.00 65.15 C ATOM 702 CG LYS A 44 -1.626 -4.761 -8.105 1.00 5.24 C ATOM 703 CD LYS A 44 -0.796 -4.742 -9.386 1.00 44.44 C ATOM 704 CE LYS A 44 -1.631 -4.403 -10.614 1.00 21.22 C ATOM 705 NZ LYS A 44 -0.773 -4.172 -11.807 1.00 61.02 N ATOM 0 H LYS A 44 -1.369 -5.942 -5.886 1.00 74.13 H new ATOM 0 HA LYS A 44 -4.021 -5.188 -6.620 1.00 72.21 H new ATOM 0 HB2 LYS A 44 -1.995 -6.882 -8.146 1.00 65.15 H new ATOM 0 HB3 LYS A 44 -3.290 -5.920 -8.831 1.00 65.15 H new ATOM 0 HG2 LYS A 44 -2.212 -3.844 -8.046 1.00 5.24 H new ATOM 0 HG3 LYS A 44 -0.956 -4.767 -7.245 1.00 5.24 H new ATOM 0 HD2 LYS A 44 0.008 -4.013 -9.284 1.00 44.44 H new ATOM 0 HD3 LYS A 44 -0.327 -5.716 -9.526 1.00 44.44 H new ATOM 0 HE2 LYS A 44 -2.328 -5.216 -10.817 1.00 21.22 H new ATOM 0 HE3 LYS A 44 -2.228 -3.513 -10.415 1.00 21.22 H new ATOM 0 HZ1 LYS A 44 -1.359 -4.196 -12.666 1.00 61.02 H new ATOM 0 HZ2 LYS A 44 -0.312 -3.243 -11.728 1.00 61.02 H new ATOM 0 HZ3 LYS A 44 -0.048 -4.915 -11.862 1.00 61.02 H new ATOM 719 N ASP A 45 -3.774 -8.203 -5.656 1.00 54.34 N ATOM 720 CA ASP A 45 -4.605 -9.366 -5.314 1.00 74.15 C ATOM 721 C ASP A 45 -5.404 -9.101 -4.022 1.00 12.43 C ATOM 722 O ASP A 45 -6.618 -9.320 -3.974 1.00 24.51 O ATOM 723 CB ASP A 45 -3.743 -10.624 -5.151 1.00 71.43 C ATOM 724 CG ASP A 45 -4.583 -11.876 -4.955 1.00 54.13 C ATOM 725 OD1 ASP A 45 -5.072 -12.432 -5.961 1.00 13.04 O ATOM 726 OD2 ASP A 45 -4.773 -12.308 -3.795 1.00 71.12 O ATOM 0 H ASP A 45 -2.885 -8.159 -5.157 1.00 54.34 H new ATOM 0 HA ASP A 45 -5.306 -9.530 -6.132 1.00 74.15 H new ATOM 0 HB2 ASP A 45 -3.112 -10.746 -6.031 1.00 71.43 H new ATOM 0 HB3 ASP A 45 -3.078 -10.498 -4.297 1.00 71.43 H new ATOM 731 N GLY A 46 -4.713 -8.636 -2.978 1.00 12.41 N ATOM 732 CA GLY A 46 -5.381 -8.305 -1.720 1.00 1.41 C ATOM 733 C GLY A 46 -4.463 -8.369 -0.500 1.00 21.50 C ATOM 734 O GLY A 46 -4.526 -9.313 0.288 1.00 65.54 O ATOM 0 H GLY A 46 -3.705 -8.482 -2.979 1.00 12.41 H new ATOM 0 HA2 GLY A 46 -5.801 -7.302 -1.795 1.00 1.41 H new ATOM 0 HA3 GLY A 46 -6.216 -8.990 -1.571 1.00 1.41 H new ATOM 738 N LYS A 47 -3.603 -7.362 -0.350 1.00 65.04 N ATOM 739 CA LYS A 47 -2.722 -7.238 0.828 1.00 21.43 C ATOM 740 C LYS A 47 -2.556 -5.765 1.224 1.00 51.10 C ATOM 741 O LYS A 47 -2.811 -4.873 0.422 1.00 12.42 O ATOM 742 CB LYS A 47 -1.335 -7.845 0.553 1.00 40.40 C ATOM 743 CG LYS A 47 -1.320 -9.366 0.440 1.00 61.20 C ATOM 744 CD LYS A 47 0.080 -9.889 0.130 1.00 20.53 C ATOM 745 CE LYS A 47 0.163 -11.403 0.262 1.00 64.21 C ATOM 746 NZ LYS A 47 -0.062 -11.853 1.663 1.00 44.51 N ATOM 0 H LYS A 47 -3.492 -6.611 -1.031 1.00 65.04 H new ATOM 0 HA LYS A 47 -3.191 -7.786 1.645 1.00 21.43 H new ATOM 0 HB2 LYS A 47 -0.944 -7.421 -0.372 1.00 40.40 H new ATOM 0 HB3 LYS A 47 -0.657 -7.546 1.352 1.00 40.40 H new ATOM 0 HG2 LYS A 47 -1.676 -9.805 1.372 1.00 61.20 H new ATOM 0 HG3 LYS A 47 -2.009 -9.681 -0.344 1.00 61.20 H new ATOM 0 HD2 LYS A 47 0.361 -9.597 -0.882 1.00 20.53 H new ATOM 0 HD3 LYS A 47 0.798 -9.426 0.806 1.00 20.53 H new ATOM 0 HE2 LYS A 47 -0.578 -11.865 -0.391 1.00 64.21 H new ATOM 0 HE3 LYS A 47 1.142 -11.743 -0.075 1.00 64.21 H new ATOM 0 HZ1 LYS A 47 0.295 -12.823 1.777 1.00 44.51 H new ATOM 0 HZ2 LYS A 47 0.442 -11.220 2.316 1.00 44.51 H new ATOM 0 HZ3 LYS A 47 -1.080 -11.831 1.875 1.00 44.51 H new ATOM 760 N GLU A 48 -2.118 -5.518 2.455 1.00 13.03 N ATOM 761 CA GLU A 48 -1.890 -4.148 2.941 1.00 42.23 C ATOM 762 C GLU A 48 -0.394 -3.871 3.160 1.00 53.01 C ATOM 763 O GLU A 48 0.279 -4.597 3.891 1.00 51.34 O ATOM 764 CB GLU A 48 -2.649 -3.921 4.254 1.00 51.21 C ATOM 765 CG GLU A 48 -4.167 -3.951 4.107 1.00 42.32 C ATOM 766 CD GLU A 48 -4.883 -3.790 5.438 1.00 44.11 C ATOM 767 OE1 GLU A 48 -4.764 -2.709 6.054 1.00 31.05 O ATOM 768 OE2 GLU A 48 -5.555 -4.747 5.882 1.00 2.42 O ATOM 0 H GLU A 48 -1.912 -6.245 3.140 1.00 13.03 H new ATOM 0 HA GLU A 48 -2.259 -3.461 2.179 1.00 42.23 H new ATOM 0 HB2 GLU A 48 -2.349 -4.684 4.972 1.00 51.21 H new ATOM 0 HB3 GLU A 48 -2.354 -2.958 4.671 1.00 51.21 H new ATOM 0 HG2 GLU A 48 -4.479 -3.155 3.431 1.00 42.32 H new ATOM 0 HG3 GLU A 48 -4.466 -4.894 3.649 1.00 42.32 H new ATOM 775 N LYS A 49 0.118 -2.820 2.522 1.00 73.41 N ATOM 776 CA LYS A 49 1.514 -2.400 2.703 1.00 22.45 C ATOM 777 C LYS A 49 1.646 -0.888 2.443 1.00 23.04 C ATOM 778 O LYS A 49 1.330 -0.408 1.356 1.00 2.53 O ATOM 779 CB LYS A 49 2.442 -3.203 1.764 1.00 3.50 C ATOM 780 CG LYS A 49 3.794 -3.571 2.385 1.00 64.33 C ATOM 781 CD LYS A 49 4.614 -2.342 2.774 1.00 2.44 C ATOM 782 CE LYS A 49 5.876 -2.722 3.545 1.00 14.32 C ATOM 783 NZ LYS A 49 6.624 -1.527 4.017 1.00 21.53 N ATOM 0 H LYS A 49 -0.412 -2.239 1.872 1.00 73.41 H new ATOM 0 HA LYS A 49 1.816 -2.601 3.731 1.00 22.45 H new ATOM 0 HB2 LYS A 49 1.932 -4.118 1.462 1.00 3.50 H new ATOM 0 HB3 LYS A 49 2.616 -2.621 0.859 1.00 3.50 H new ATOM 0 HG2 LYS A 49 3.628 -4.188 3.268 1.00 64.33 H new ATOM 0 HG3 LYS A 49 4.363 -4.174 1.677 1.00 64.33 H new ATOM 0 HD2 LYS A 49 4.890 -1.790 1.875 1.00 2.44 H new ATOM 0 HD3 LYS A 49 4.003 -1.675 3.383 1.00 2.44 H new ATOM 0 HE2 LYS A 49 5.605 -3.341 4.400 1.00 14.32 H new ATOM 0 HE3 LYS A 49 6.522 -3.325 2.907 1.00 14.32 H new ATOM 0 HZ1 LYS A 49 7.473 -1.831 4.535 1.00 21.53 H new ATOM 0 HZ2 LYS A 49 6.906 -0.949 3.200 1.00 21.53 H new ATOM 0 HZ3 LYS A 49 6.017 -0.964 4.647 1.00 21.53 H new ATOM 797 N GLU A 50 2.108 -0.139 3.441 1.00 24.43 N ATOM 798 CA GLU A 50 2.166 1.327 3.345 1.00 72.40 C ATOM 799 C GLU A 50 3.299 1.820 2.426 1.00 40.40 C ATOM 800 O GLU A 50 4.452 1.394 2.540 1.00 4.10 O ATOM 801 CB GLU A 50 2.319 1.951 4.740 1.00 5.22 C ATOM 802 CG GLU A 50 1.154 1.651 5.678 1.00 2.31 C ATOM 803 CD GLU A 50 1.266 2.378 7.009 1.00 22.13 C ATOM 804 OE1 GLU A 50 1.989 1.888 7.901 1.00 3.23 O ATOM 805 OE2 GLU A 50 0.643 3.447 7.166 1.00 12.10 O ATOM 0 H GLU A 50 2.448 -0.517 4.325 1.00 24.43 H new ATOM 0 HA GLU A 50 1.224 1.647 2.899 1.00 72.40 H new ATOM 0 HB2 GLU A 50 3.241 1.586 5.192 1.00 5.22 H new ATOM 0 HB3 GLU A 50 2.421 3.031 4.636 1.00 5.22 H new ATOM 0 HG2 GLU A 50 0.220 1.934 5.192 1.00 2.31 H new ATOM 0 HG3 GLU A 50 1.106 0.577 5.859 1.00 2.31 H new ATOM 812 N LEU A 51 2.947 2.713 1.502 1.00 44.22 N ATOM 813 CA LEU A 51 3.918 3.410 0.648 1.00 31.22 C ATOM 814 C LEU A 51 3.974 4.898 1.030 1.00 22.21 C ATOM 815 O LEU A 51 2.948 5.511 1.315 1.00 41.23 O ATOM 816 CB LEU A 51 3.546 3.268 -0.841 1.00 42.40 C ATOM 817 CG LEU A 51 3.845 1.905 -1.494 1.00 34.41 C ATOM 818 CD1 LEU A 51 5.317 1.541 -1.335 1.00 34.14 C ATOM 819 CD2 LEU A 51 2.946 0.809 -0.928 1.00 21.35 C ATOM 0 H LEU A 51 1.978 2.977 1.321 1.00 44.22 H new ATOM 0 HA LEU A 51 4.897 2.956 0.802 1.00 31.22 H new ATOM 0 HB2 LEU A 51 2.481 3.472 -0.948 1.00 42.40 H new ATOM 0 HB3 LEU A 51 4.076 4.039 -1.401 1.00 42.40 H new ATOM 0 HG LEU A 51 3.629 1.990 -2.559 1.00 34.41 H new ATOM 0 HD11 LEU A 51 5.506 0.575 -1.803 1.00 34.14 H new ATOM 0 HD12 LEU A 51 5.934 2.302 -1.813 1.00 34.14 H new ATOM 0 HD13 LEU A 51 5.566 1.485 -0.275 1.00 34.14 H new ATOM 0 HD21 LEU A 51 3.182 -0.140 -1.409 1.00 21.35 H new ATOM 0 HD22 LEU A 51 3.111 0.722 0.146 1.00 21.35 H new ATOM 0 HD23 LEU A 51 1.902 1.061 -1.116 1.00 21.35 H new ATOM 831 N GLU A 52 5.168 5.479 1.028 1.00 41.15 N ATOM 832 CA GLU A 52 5.344 6.862 1.488 1.00 44.20 C ATOM 833 C GLU A 52 6.290 7.658 0.577 1.00 3.34 C ATOM 834 O GLU A 52 7.309 7.141 0.111 1.00 13.23 O ATOM 835 CB GLU A 52 5.851 6.852 2.936 1.00 44.23 C ATOM 836 CG GLU A 52 7.063 5.954 3.159 1.00 31.32 C ATOM 837 CD GLU A 52 7.260 5.593 4.621 1.00 11.35 C ATOM 838 OE1 GLU A 52 6.628 4.620 5.086 1.00 70.54 O ATOM 839 OE2 GLU A 52 8.040 6.277 5.315 1.00 43.22 O ATOM 0 H GLU A 52 6.026 5.023 0.717 1.00 41.15 H new ATOM 0 HA GLU A 52 4.378 7.365 1.444 1.00 44.20 H new ATOM 0 HB2 GLU A 52 6.107 7.870 3.228 1.00 44.23 H new ATOM 0 HB3 GLU A 52 5.043 6.526 3.591 1.00 44.23 H new ATOM 0 HG2 GLU A 52 6.946 5.041 2.575 1.00 31.32 H new ATOM 0 HG3 GLU A 52 7.956 6.457 2.789 1.00 31.32 H new ATOM 846 N PHE A 53 5.937 8.921 0.323 1.00 42.21 N ATOM 847 CA PHE A 53 6.714 9.771 -0.589 1.00 20.40 C ATOM 848 C PHE A 53 6.499 11.267 -0.317 1.00 21.44 C ATOM 849 O PHE A 53 5.525 11.664 0.320 1.00 62.03 O ATOM 850 CB PHE A 53 6.331 9.456 -2.043 1.00 73.22 C ATOM 851 CG PHE A 53 4.869 9.696 -2.364 1.00 15.45 C ATOM 852 CD1 PHE A 53 3.920 8.703 -2.149 1.00 21.44 C ATOM 853 CD2 PHE A 53 4.445 10.914 -2.884 1.00 44.31 C ATOM 854 CE1 PHE A 53 2.586 8.921 -2.440 1.00 60.25 C ATOM 855 CE2 PHE A 53 3.113 11.135 -3.177 1.00 42.32 C ATOM 856 CZ PHE A 53 2.183 10.139 -2.955 1.00 61.30 C ATOM 0 H PHE A 53 5.122 9.378 0.733 1.00 42.21 H new ATOM 0 HA PHE A 53 7.768 9.552 -0.419 1.00 20.40 H new ATOM 0 HB2 PHE A 53 6.943 10.065 -2.709 1.00 73.22 H new ATOM 0 HB3 PHE A 53 6.572 8.414 -2.253 1.00 73.22 H new ATOM 0 HD1 PHE A 53 4.229 7.748 -1.749 1.00 21.44 H new ATOM 0 HD2 PHE A 53 5.167 11.698 -3.061 1.00 44.31 H new ATOM 0 HE1 PHE A 53 1.860 8.141 -2.265 1.00 60.25 H new ATOM 0 HE2 PHE A 53 2.799 12.087 -3.580 1.00 42.32 H new ATOM 0 HZ PHE A 53 1.142 10.311 -3.183 1.00 61.30 H new ATOM 866 N THR A 54 7.420 12.090 -0.813 1.00 63.30 N ATOM 867 CA THR A 54 7.285 13.553 -0.744 1.00 24.41 C ATOM 868 C THR A 54 6.747 14.122 -2.066 1.00 61.22 C ATOM 869 O THR A 54 6.868 13.492 -3.120 1.00 70.03 O ATOM 870 CB THR A 54 8.633 14.241 -0.418 1.00 34.11 C ATOM 871 OG1 THR A 54 9.628 13.868 -1.388 1.00 22.12 O ATOM 872 CG2 THR A 54 9.113 13.872 0.982 1.00 15.22 C ATOM 0 H THR A 54 8.274 11.772 -1.271 1.00 63.30 H new ATOM 0 HA THR A 54 6.579 13.761 0.060 1.00 24.41 H new ATOM 0 HB THR A 54 8.478 15.319 -0.456 1.00 34.11 H new ATOM 0 HG1 THR A 54 10.476 14.310 -1.173 1.00 22.12 H new ATOM 0 HG21 THR A 54 10.062 14.369 1.184 1.00 15.22 H new ATOM 0 HG22 THR A 54 8.373 14.190 1.716 1.00 15.22 H new ATOM 0 HG23 THR A 54 9.248 12.792 1.048 1.00 15.22 H new ATOM 880 N ALA A 55 6.158 15.316 -2.008 1.00 62.24 N ATOM 881 CA ALA A 55 5.560 15.944 -3.192 1.00 13.20 C ATOM 882 C ALA A 55 5.762 17.470 -3.199 1.00 44.33 C ATOM 883 O ALA A 55 6.348 18.039 -2.277 1.00 51.21 O ATOM 884 CB ALA A 55 4.075 15.607 -3.268 1.00 10.01 C ATOM 0 H ALA A 55 6.081 15.870 -1.155 1.00 62.24 H new ATOM 0 HA ALA A 55 6.068 15.545 -4.070 1.00 13.20 H new ATOM 0 HB1 ALA A 55 3.640 16.077 -4.150 1.00 10.01 H new ATOM 0 HB2 ALA A 55 3.950 14.526 -3.334 1.00 10.01 H new ATOM 0 HB3 ALA A 55 3.572 15.976 -2.374 1.00 10.01 H new ATOM 890 N GLN A 56 5.255 18.124 -4.246 1.00 52.42 N ATOM 891 CA GLN A 56 5.423 19.577 -4.420 1.00 72.41 C ATOM 892 C GLN A 56 4.206 20.365 -3.902 1.00 10.14 C ATOM 893 O GLN A 56 4.349 21.467 -3.369 1.00 33.52 O ATOM 894 CB GLN A 56 5.687 19.929 -5.908 1.00 23.00 C ATOM 895 CG GLN A 56 5.620 18.745 -6.883 1.00 34.00 C ATOM 896 CD GLN A 56 4.203 18.240 -7.159 1.00 54.11 C ATOM 897 OE1 GLN A 56 3.311 18.328 -6.318 1.00 75.24 O ATOM 898 NE2 GLN A 56 3.989 17.691 -8.338 1.00 21.13 N ATOM 0 H GLN A 56 4.723 17.673 -4.990 1.00 52.42 H new ATOM 0 HA GLN A 56 6.289 19.869 -3.825 1.00 72.41 H new ATOM 0 HB2 GLN A 56 4.960 20.678 -6.222 1.00 23.00 H new ATOM 0 HB3 GLN A 56 6.672 20.388 -5.987 1.00 23.00 H new ATOM 0 HG2 GLN A 56 6.079 19.039 -7.827 1.00 34.00 H new ATOM 0 HG3 GLN A 56 6.215 17.924 -6.482 1.00 34.00 H new ATOM 0 HE21 GLN A 56 4.747 17.631 -9.018 1.00 21.13 H new ATOM 0 HE22 GLN A 56 3.065 17.326 -8.571 1.00 21.13 H new ATOM 907 N LYS A 57 3.014 19.798 -4.070 1.00 24.42 N ATOM 908 CA LYS A 57 1.762 20.472 -3.695 1.00 21.12 C ATOM 909 C LYS A 57 0.910 19.585 -2.779 1.00 4.34 C ATOM 910 O LYS A 57 1.290 18.455 -2.454 1.00 71.13 O ATOM 911 CB LYS A 57 0.939 20.787 -4.954 1.00 60.24 C ATOM 912 CG LYS A 57 1.750 21.338 -6.124 1.00 12.34 C ATOM 913 CD LYS A 57 0.877 21.572 -7.356 1.00 1.20 C ATOM 914 CE LYS A 57 0.063 20.333 -7.729 1.00 4.30 C ATOM 915 NZ LYS A 57 0.919 19.141 -7.987 1.00 52.24 N ATOM 0 H LYS A 57 2.883 18.867 -4.466 1.00 24.42 H new ATOM 0 HA LYS A 57 2.026 21.389 -3.169 1.00 21.12 H new ATOM 0 HB2 LYS A 57 0.432 19.878 -5.277 1.00 60.24 H new ATOM 0 HB3 LYS A 57 0.165 21.509 -4.694 1.00 60.24 H new ATOM 0 HG2 LYS A 57 2.223 22.275 -5.830 1.00 12.34 H new ATOM 0 HG3 LYS A 57 2.550 20.641 -6.372 1.00 12.34 H new ATOM 0 HD2 LYS A 57 0.201 22.406 -7.167 1.00 1.20 H new ATOM 0 HD3 LYS A 57 1.508 21.857 -8.198 1.00 1.20 H new ATOM 0 HE2 LYS A 57 -0.636 20.106 -6.924 1.00 4.30 H new ATOM 0 HE3 LYS A 57 -0.532 20.547 -8.617 1.00 4.30 H new ATOM 0 HZ1 LYS A 57 0.316 18.310 -8.152 1.00 52.24 H new ATOM 0 HZ2 LYS A 57 1.510 19.313 -8.826 1.00 52.24 H new ATOM 0 HZ3 LYS A 57 1.530 18.967 -7.163 1.00 52.24 H new ATOM 929 N ASN A 58 -0.247 20.103 -2.369 1.00 4.02 N ATOM 930 CA ASN A 58 -1.280 19.280 -1.744 1.00 62.11 C ATOM 931 C ASN A 58 -2.007 18.482 -2.840 1.00 50.11 C ATOM 932 O ASN A 58 -2.749 19.049 -3.646 1.00 64.24 O ATOM 933 CB ASN A 58 -2.265 20.160 -0.957 1.00 42.34 C ATOM 934 CG ASN A 58 -3.335 19.354 -0.240 1.00 63.53 C ATOM 935 OD1 ASN A 58 -4.406 19.104 -0.780 1.00 11.32 O ATOM 936 ND2 ASN A 58 -3.055 18.944 0.981 1.00 61.53 N ATOM 0 H ASN A 58 -0.492 21.089 -2.459 1.00 4.02 H new ATOM 0 HA ASN A 58 -0.823 18.587 -1.038 1.00 62.11 H new ATOM 0 HB2 ASN A 58 -1.713 20.751 -0.227 1.00 42.34 H new ATOM 0 HB3 ASN A 58 -2.743 20.862 -1.640 1.00 42.34 H new ATOM 0 HD21 ASN A 58 -3.740 18.401 1.506 1.00 61.53 H new ATOM 0 HD22 ASN A 58 -2.153 19.170 1.401 1.00 61.53 H new ATOM 943 N LEU A 59 -1.756 17.177 -2.892 1.00 64.33 N ATOM 944 CA LEU A 59 -2.255 16.334 -3.987 1.00 42.21 C ATOM 945 C LEU A 59 -3.783 16.162 -3.938 1.00 2.33 C ATOM 946 O LEU A 59 -4.445 16.609 -2.997 1.00 2.23 O ATOM 947 CB LEU A 59 -1.569 14.960 -3.944 1.00 1.33 C ATOM 948 CG LEU A 59 -0.035 14.985 -4.044 1.00 3.23 C ATOM 949 CD1 LEU A 59 0.536 13.572 -3.974 1.00 32.33 C ATOM 950 CD2 LEU A 59 0.417 15.688 -5.323 1.00 53.24 C ATOM 0 H LEU A 59 -1.211 16.675 -2.191 1.00 64.33 H new ATOM 0 HA LEU A 59 -2.014 16.837 -4.924 1.00 42.21 H new ATOM 0 HB2 LEU A 59 -1.847 14.463 -3.015 1.00 1.33 H new ATOM 0 HB3 LEU A 59 -1.959 14.352 -4.760 1.00 1.33 H new ATOM 0 HG LEU A 59 0.348 15.550 -3.194 1.00 3.23 H new ATOM 0 HD11 LEU A 59 1.623 13.615 -4.047 1.00 32.33 H new ATOM 0 HD12 LEU A 59 0.253 13.112 -3.027 1.00 32.33 H new ATOM 0 HD13 LEU A 59 0.140 12.978 -4.798 1.00 32.33 H new ATOM 0 HD21 LEU A 59 1.506 15.693 -5.370 1.00 53.24 H new ATOM 0 HD22 LEU A 59 0.018 15.160 -6.189 1.00 53.24 H new ATOM 0 HD23 LEU A 59 0.050 16.714 -5.323 1.00 53.24 H new ATOM 962 N ARG A 60 -4.337 15.508 -4.958 1.00 72.52 N ATOM 963 CA ARG A 60 -5.780 15.249 -5.020 1.00 23.31 C ATOM 964 C ARG A 60 -6.223 14.316 -3.876 1.00 30.14 C ATOM 965 O ARG A 60 -6.088 13.096 -3.955 1.00 52.12 O ATOM 966 CB ARG A 60 -6.145 14.665 -6.392 1.00 44.53 C ATOM 967 CG ARG A 60 -5.870 15.631 -7.544 1.00 21.22 C ATOM 968 CD ARG A 60 -6.057 14.978 -8.912 1.00 33.11 C ATOM 969 NE ARG A 60 -5.813 15.921 -10.006 1.00 3.01 N ATOM 970 CZ ARG A 60 -4.648 16.107 -10.571 1.00 54.42 C ATOM 971 NH1 ARG A 60 -3.589 15.519 -10.112 1.00 52.55 N ATOM 972 NH2 ARG A 60 -4.538 16.915 -11.576 1.00 72.51 N ATOM 0 H ARG A 60 -3.811 15.147 -5.754 1.00 72.52 H new ATOM 0 HA ARG A 60 -6.313 16.191 -4.893 1.00 23.31 H new ATOM 0 HB2 ARG A 60 -5.580 13.747 -6.552 1.00 44.53 H new ATOM 0 HB3 ARG A 60 -7.201 14.394 -6.396 1.00 44.53 H new ATOM 0 HG2 ARG A 60 -6.536 16.490 -7.461 1.00 21.22 H new ATOM 0 HG3 ARG A 60 -4.851 16.009 -7.462 1.00 21.22 H new ATOM 0 HD2 ARG A 60 -5.378 14.130 -9.005 1.00 33.11 H new ATOM 0 HD3 ARG A 60 -7.071 14.585 -8.991 1.00 33.11 H new ATOM 0 HE ARG A 60 -6.603 16.468 -10.349 1.00 3.01 H new ATOM 0 HH11 ARG A 60 -3.658 14.903 -9.302 1.00 52.55 H new ATOM 0 HH12 ARG A 60 -2.686 15.672 -10.561 1.00 52.55 H new ATOM 0 HH21 ARG A 60 -5.360 17.407 -11.927 1.00 72.51 H new ATOM 0 HH22 ARG A 60 -3.630 17.060 -12.017 1.00 72.51 H new ATOM 986 N LYS A 61 -6.785 14.920 -2.829 1.00 43.11 N ATOM 987 CA LYS A 61 -7.077 14.236 -1.557 1.00 13.24 C ATOM 988 C LYS A 61 -8.209 13.192 -1.648 1.00 53.13 C ATOM 989 O LYS A 61 -8.719 12.738 -0.623 1.00 24.13 O ATOM 990 CB LYS A 61 -7.428 15.294 -0.505 1.00 22.20 C ATOM 991 CG LYS A 61 -6.281 16.259 -0.205 1.00 62.45 C ATOM 992 CD LYS A 61 -6.739 17.465 0.613 1.00 13.50 C ATOM 993 CE LYS A 61 -7.653 18.385 -0.190 1.00 12.23 C ATOM 994 NZ LYS A 61 -6.998 18.889 -1.428 1.00 20.22 N ATOM 0 H LYS A 61 -7.054 15.904 -2.834 1.00 43.11 H new ATOM 0 HA LYS A 61 -6.183 13.677 -1.281 1.00 13.24 H new ATOM 0 HB2 LYS A 61 -8.291 15.864 -0.848 1.00 22.20 H new ATOM 0 HB3 LYS A 61 -7.722 14.794 0.418 1.00 22.20 H new ATOM 0 HG2 LYS A 61 -5.497 15.731 0.338 1.00 62.45 H new ATOM 0 HG3 LYS A 61 -5.844 16.603 -1.142 1.00 62.45 H new ATOM 0 HD2 LYS A 61 -7.263 17.121 1.504 1.00 13.50 H new ATOM 0 HD3 LYS A 61 -5.868 18.025 0.952 1.00 13.50 H new ATOM 0 HE2 LYS A 61 -8.563 17.848 -0.456 1.00 12.23 H new ATOM 0 HE3 LYS A 61 -7.951 19.230 0.431 1.00 12.23 H new ATOM 0 HZ1 LYS A 61 -7.593 19.624 -1.861 1.00 20.22 H new ATOM 0 HZ2 LYS A 61 -6.069 19.291 -1.190 1.00 20.22 H new ATOM 0 HZ3 LYS A 61 -6.874 18.104 -2.099 1.00 20.22 H new ATOM 1008 N GLU A 62 -8.592 12.799 -2.858 1.00 62.22 N ATOM 1009 CA GLU A 62 -9.633 11.780 -3.044 1.00 13.00 C ATOM 1010 C GLU A 62 -9.278 10.803 -4.186 1.00 2.15 C ATOM 1011 O GLU A 62 -9.941 9.782 -4.378 1.00 24.42 O ATOM 1012 CB GLU A 62 -10.977 12.474 -3.311 1.00 60.50 C ATOM 1013 CG GLU A 62 -12.158 11.523 -3.469 1.00 34.42 C ATOM 1014 CD GLU A 62 -13.485 12.255 -3.553 1.00 32.44 C ATOM 1015 OE1 GLU A 62 -13.781 12.844 -4.612 1.00 40.30 O ATOM 1016 OE2 GLU A 62 -14.235 12.254 -2.552 1.00 63.25 O ATOM 0 H GLU A 62 -8.202 13.166 -3.726 1.00 62.22 H new ATOM 0 HA GLU A 62 -9.707 11.186 -2.133 1.00 13.00 H new ATOM 0 HB2 GLU A 62 -11.187 13.160 -2.491 1.00 60.50 H new ATOM 0 HB3 GLU A 62 -10.888 13.076 -4.215 1.00 60.50 H new ATOM 0 HG2 GLU A 62 -12.020 10.923 -4.369 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -12.180 10.833 -2.626 1.00 34.42 H new ATOM 1023 N ALA A 63 -8.207 11.102 -4.922 1.00 23.44 N ATOM 1024 CA ALA A 63 -7.804 10.284 -6.071 1.00 3.25 C ATOM 1025 C ALA A 63 -6.950 9.079 -5.644 1.00 25.43 C ATOM 1026 O ALA A 63 -6.618 8.919 -4.470 1.00 12.43 O ATOM 1027 CB ALA A 63 -7.044 11.140 -7.083 1.00 1.52 C ATOM 0 H ALA A 63 -7.602 11.904 -4.745 1.00 23.44 H new ATOM 0 HA ALA A 63 -8.710 9.895 -6.535 1.00 3.25 H new ATOM 0 HB1 ALA A 63 -6.749 10.524 -7.932 1.00 1.52 H new ATOM 0 HB2 ALA A 63 -7.686 11.951 -7.428 1.00 1.52 H new ATOM 0 HB3 ALA A 63 -6.154 11.557 -6.611 1.00 1.52 H new ATOM 1033 N PHE A 64 -6.608 8.232 -6.611 1.00 20.12 N ATOM 1034 CA PHE A 64 -5.753 7.065 -6.365 1.00 64.20 C ATOM 1035 C PHE A 64 -4.405 7.237 -7.078 1.00 32.35 C ATOM 1036 O PHE A 64 -4.361 7.669 -8.231 1.00 23.25 O ATOM 1037 CB PHE A 64 -6.435 5.788 -6.873 1.00 22.31 C ATOM 1038 CG PHE A 64 -7.782 5.504 -6.245 1.00 24.15 C ATOM 1039 CD1 PHE A 64 -8.914 6.204 -6.646 1.00 23.25 C ATOM 1040 CD2 PHE A 64 -7.918 4.531 -5.263 1.00 32.15 C ATOM 1041 CE1 PHE A 64 -10.146 5.941 -6.079 1.00 74.02 C ATOM 1042 CE2 PHE A 64 -9.150 4.265 -4.694 1.00 54.05 C ATOM 1043 CZ PHE A 64 -10.265 4.970 -5.103 1.00 2.50 C ATOM 0 H PHE A 64 -6.910 8.330 -7.580 1.00 20.12 H new ATOM 0 HA PHE A 64 -5.587 6.981 -5.291 1.00 64.20 H new ATOM 0 HB2 PHE A 64 -6.560 5.863 -7.953 1.00 22.31 H new ATOM 0 HB3 PHE A 64 -5.776 4.940 -6.687 1.00 22.31 H new ATOM 0 HD1 PHE A 64 -8.829 6.963 -7.410 1.00 23.25 H new ATOM 0 HD2 PHE A 64 -7.050 3.975 -4.940 1.00 32.15 H new ATOM 0 HE1 PHE A 64 -11.017 6.495 -6.399 1.00 74.02 H new ATOM 0 HE2 PHE A 64 -9.240 3.507 -3.930 1.00 54.05 H new ATOM 0 HZ PHE A 64 -11.228 4.763 -4.661 1.00 2.50 H new ATOM 1053 N LEU A 65 -3.307 6.911 -6.402 1.00 20.34 N ATOM 1054 CA LEU A 65 -1.981 7.020 -7.022 1.00 64.24 C ATOM 1055 C LEU A 65 -1.363 5.642 -7.281 1.00 63.45 C ATOM 1056 O LEU A 65 -1.335 4.781 -6.398 1.00 30.52 O ATOM 1057 CB LEU A 65 -1.014 7.852 -6.162 1.00 44.02 C ATOM 1058 CG LEU A 65 -1.498 9.260 -5.772 1.00 64.32 C ATOM 1059 CD1 LEU A 65 -2.340 9.213 -4.500 1.00 11.02 C ATOM 1060 CD2 LEU A 65 -0.319 10.217 -5.605 1.00 74.15 C ATOM 0 H LEU A 65 -3.303 6.574 -5.439 1.00 20.34 H new ATOM 0 HA LEU A 65 -2.132 7.528 -7.975 1.00 64.24 H new ATOM 0 HB2 LEU A 65 -0.802 7.296 -5.248 1.00 44.02 H new ATOM 0 HB3 LEU A 65 -0.072 7.950 -6.701 1.00 44.02 H new ATOM 0 HG LEU A 65 -2.125 9.635 -6.581 1.00 64.32 H new ATOM 0 HD11 LEU A 65 -2.670 10.220 -4.245 1.00 11.02 H new ATOM 0 HD12 LEU A 65 -3.210 8.576 -4.663 1.00 11.02 H new ATOM 0 HD13 LEU A 65 -1.742 8.809 -3.683 1.00 11.02 H new ATOM 0 HD21 LEU A 65 -0.688 11.205 -5.329 1.00 74.15 H new ATOM 0 HD22 LEU A 65 0.343 9.846 -4.823 1.00 74.15 H new ATOM 0 HD23 LEU A 65 0.231 10.284 -6.544 1.00 74.15 H new ATOM 1072 N ARG A 66 -0.877 5.435 -8.503 1.00 24.13 N ATOM 1073 CA ARG A 66 -0.090 4.242 -8.825 1.00 64.51 C ATOM 1074 C ARG A 66 1.375 4.483 -8.451 1.00 33.02 C ATOM 1075 O ARG A 66 2.129 5.095 -9.208 1.00 11.53 O ATOM 1076 CB ARG A 66 -0.205 3.889 -10.315 1.00 62.13 C ATOM 1077 CG ARG A 66 -1.635 3.626 -10.777 1.00 24.43 C ATOM 1078 CD ARG A 66 -1.690 3.162 -12.233 1.00 63.10 C ATOM 1079 NE ARG A 66 -1.089 1.838 -12.419 1.00 43.02 N ATOM 1080 CZ ARG A 66 -0.556 1.417 -13.541 1.00 63.11 C ATOM 1081 NH1 ARG A 66 -0.480 2.196 -14.570 1.00 54.32 N ATOM 1082 NH2 ARG A 66 -0.089 0.214 -13.629 1.00 61.12 N ATOM 0 H ARG A 66 -1.013 6.075 -9.286 1.00 24.13 H new ATOM 0 HA ARG A 66 -0.481 3.401 -8.251 1.00 64.51 H new ATOM 0 HB2 ARG A 66 0.213 4.704 -10.905 1.00 62.13 H new ATOM 0 HB3 ARG A 66 0.401 3.006 -10.517 1.00 62.13 H new ATOM 0 HG2 ARG A 66 -2.089 2.869 -10.138 1.00 24.43 H new ATOM 0 HG3 ARG A 66 -2.226 4.535 -10.664 1.00 24.43 H new ATOM 0 HD2 ARG A 66 -2.728 3.137 -12.565 1.00 63.10 H new ATOM 0 HD3 ARG A 66 -1.171 3.885 -12.862 1.00 63.10 H new ATOM 0 HE ARG A 66 -1.085 1.201 -11.622 1.00 43.02 H new ATOM 0 HH11 ARG A 66 -0.837 3.150 -14.515 1.00 54.32 H new ATOM 0 HH12 ARG A 66 -0.063 1.857 -15.437 1.00 54.32 H new ATOM 0 HH21 ARG A 66 -0.135 -0.411 -12.824 1.00 61.12 H new ATOM 0 HH22 ARG A 66 0.325 -0.110 -14.503 1.00 61.12 H new ATOM 1096 N VAL A 67 1.758 4.034 -7.260 1.00 54.34 N ATOM 1097 CA VAL A 67 3.087 4.326 -6.714 1.00 62.15 C ATOM 1098 C VAL A 67 4.071 3.167 -6.898 1.00 5.31 C ATOM 1099 O VAL A 67 3.748 2.005 -6.650 1.00 2.02 O ATOM 1100 CB VAL A 67 3.004 4.689 -5.212 1.00 21.54 C ATOM 1101 CG1 VAL A 67 2.187 5.964 -5.007 1.00 62.25 C ATOM 1102 CG2 VAL A 67 2.417 3.534 -4.404 1.00 2.42 C ATOM 0 H VAL A 67 1.169 3.466 -6.651 1.00 54.34 H new ATOM 0 HA VAL A 67 3.462 5.179 -7.279 1.00 62.15 H new ATOM 0 HB VAL A 67 4.017 4.872 -4.852 1.00 21.54 H new ATOM 0 HG11 VAL A 67 2.142 6.200 -3.944 1.00 62.25 H new ATOM 0 HG12 VAL A 67 2.659 6.788 -5.542 1.00 62.25 H new ATOM 0 HG13 VAL A 67 1.177 5.814 -5.389 1.00 62.25 H new ATOM 0 HG21 VAL A 67 2.369 3.814 -3.352 1.00 2.42 H new ATOM 0 HG22 VAL A 67 1.414 3.310 -4.766 1.00 2.42 H new ATOM 0 HG23 VAL A 67 3.049 2.653 -4.517 1.00 2.42 H new ATOM 1112 N TYR A 68 5.279 3.510 -7.326 1.00 13.23 N ATOM 1113 CA TYR A 68 6.342 2.535 -7.558 1.00 73.32 C ATOM 1114 C TYR A 68 6.854 1.956 -6.228 1.00 73.21 C ATOM 1115 O TYR A 68 7.575 2.624 -5.482 1.00 31.20 O ATOM 1116 CB TYR A 68 7.479 3.222 -8.326 1.00 70.41 C ATOM 1117 CG TYR A 68 8.400 2.272 -9.059 1.00 31.35 C ATOM 1118 CD1 TYR A 68 8.022 1.722 -10.276 1.00 61.22 C ATOM 1119 CD2 TYR A 68 9.647 1.943 -8.548 1.00 24.13 C ATOM 1120 CE1 TYR A 68 8.862 0.871 -10.967 1.00 10.14 C ATOM 1121 CE2 TYR A 68 10.493 1.090 -9.229 1.00 4.24 C ATOM 1122 CZ TYR A 68 10.097 0.558 -10.437 1.00 35.01 C ATOM 1123 OH TYR A 68 10.943 -0.285 -11.125 1.00 44.20 O ATOM 0 H TYR A 68 5.552 4.473 -7.523 1.00 13.23 H new ATOM 0 HA TYR A 68 5.953 1.704 -8.146 1.00 73.32 H new ATOM 0 HB2 TYR A 68 7.047 3.918 -9.045 1.00 70.41 H new ATOM 0 HB3 TYR A 68 8.069 3.813 -7.626 1.00 70.41 H new ATOM 0 HD1 TYR A 68 7.054 1.964 -10.690 1.00 61.22 H new ATOM 0 HD2 TYR A 68 9.961 2.360 -7.603 1.00 24.13 H new ATOM 0 HE1 TYR A 68 8.555 0.454 -11.915 1.00 10.14 H new ATOM 0 HE2 TYR A 68 11.460 0.841 -8.817 1.00 4.24 H new ATOM 0 HH TYR A 68 11.772 -0.402 -10.616 1.00 44.20 H new ATOM 1133 N HIS A 69 6.483 0.710 -5.941 1.00 13.41 N ATOM 1134 CA HIS A 69 6.787 0.088 -4.648 1.00 53.32 C ATOM 1135 C HIS A 69 8.272 -0.294 -4.544 1.00 3.24 C ATOM 1136 O HIS A 69 8.690 -1.346 -5.022 1.00 52.54 O ATOM 1137 CB HIS A 69 5.904 -1.154 -4.445 1.00 3.41 C ATOM 1138 CG HIS A 69 5.974 -1.749 -3.067 1.00 5.03 C ATOM 1139 ND1 HIS A 69 4.954 -1.625 -2.144 1.00 2.53 N ATOM 1140 CD2 HIS A 69 6.930 -2.496 -2.460 1.00 61.12 C ATOM 1141 CE1 HIS A 69 5.278 -2.265 -1.040 1.00 11.43 C ATOM 1142 NE2 HIS A 69 6.468 -2.800 -1.204 1.00 44.13 N ATOM 0 H HIS A 69 5.971 0.108 -6.586 1.00 13.41 H new ATOM 0 HA HIS A 69 6.575 0.815 -3.864 1.00 53.32 H new ATOM 0 HB2 HIS A 69 4.869 -0.888 -4.660 1.00 3.41 H new ATOM 0 HB3 HIS A 69 6.195 -1.914 -5.170 1.00 3.41 H new ATOM 0 HD2 HIS A 69 7.877 -2.795 -2.885 1.00 61.12 H new ATOM 0 HE1 HIS A 69 4.670 -2.338 -0.151 1.00 11.43 H new ATOM 0 HE2 HIS A 69 6.968 -3.353 -0.508 1.00 44.13 H new ATOM 1151 N SER A 70 9.064 0.571 -3.917 1.00 44.35 N ATOM 1152 CA SER A 70 10.506 0.326 -3.746 1.00 3.31 C ATOM 1153 C SER A 70 10.889 0.289 -2.260 1.00 55.51 C ATOM 1154 O SER A 70 10.745 1.280 -1.551 1.00 52.24 O ATOM 1155 CB SER A 70 11.320 1.415 -4.457 1.00 13.44 C ATOM 1156 OG SER A 70 10.974 1.511 -5.830 1.00 52.11 O ATOM 0 H SER A 70 8.738 1.450 -3.516 1.00 44.35 H new ATOM 0 HA SER A 70 10.733 -0.644 -4.188 1.00 3.31 H new ATOM 0 HB2 SER A 70 11.149 2.375 -3.970 1.00 13.44 H new ATOM 0 HB3 SER A 70 12.383 1.195 -4.363 1.00 13.44 H new ATOM 0 HG SER A 70 11.509 2.214 -6.254 1.00 52.11 H new ATOM 1162 N ASP A 71 11.399 -0.853 -1.804 1.00 42.45 N ATOM 1163 CA ASP A 71 11.770 -1.043 -0.393 1.00 31.03 C ATOM 1164 C ASP A 71 12.733 0.051 0.125 1.00 35.04 C ATOM 1165 O ASP A 71 12.386 0.819 1.027 1.00 2.10 O ATOM 1166 CB ASP A 71 12.381 -2.441 -0.211 1.00 41.12 C ATOM 1167 CG ASP A 71 13.371 -2.784 -1.311 1.00 24.11 C ATOM 1168 OD1 ASP A 71 12.929 -3.208 -2.401 1.00 31.01 O ATOM 1169 OD2 ASP A 71 14.588 -2.615 -1.104 1.00 41.41 O ATOM 0 H ASP A 71 11.568 -1.669 -2.392 1.00 42.45 H new ATOM 0 HA ASP A 71 10.862 -0.956 0.204 1.00 31.03 H new ATOM 0 HB2 ASP A 71 12.882 -2.493 0.755 1.00 41.12 H new ATOM 0 HB3 ASP A 71 11.584 -3.185 -0.197 1.00 41.12 H new ATOM 1174 N LYS A 72 13.929 0.130 -0.458 1.00 43.23 N ATOM 1175 CA LYS A 72 14.951 1.105 -0.029 1.00 3.42 C ATOM 1176 C LYS A 72 14.753 2.505 -0.655 1.00 54.31 C ATOM 1177 O LYS A 72 15.680 3.314 -0.696 1.00 55.04 O ATOM 1178 CB LYS A 72 16.359 0.551 -0.341 1.00 74.41 C ATOM 1179 CG LYS A 72 16.552 0.033 -1.776 1.00 52.43 C ATOM 1180 CD LYS A 72 16.795 1.151 -2.795 1.00 70.44 C ATOM 1181 CE LYS A 72 18.098 1.901 -2.521 1.00 40.00 C ATOM 1182 NZ LYS A 72 18.383 2.926 -3.559 1.00 42.52 N ATOM 0 H LYS A 72 14.221 -0.468 -1.231 1.00 43.23 H new ATOM 0 HA LYS A 72 14.842 1.241 1.047 1.00 3.42 H new ATOM 0 HB2 LYS A 72 17.091 1.336 -0.153 1.00 74.41 H new ATOM 0 HB3 LYS A 72 16.576 -0.260 0.354 1.00 74.41 H new ATOM 0 HG2 LYS A 72 17.396 -0.657 -1.796 1.00 52.43 H new ATOM 0 HG3 LYS A 72 15.669 -0.534 -2.072 1.00 52.43 H new ATOM 0 HD2 LYS A 72 16.825 0.727 -3.799 1.00 70.44 H new ATOM 0 HD3 LYS A 72 15.961 1.852 -2.770 1.00 70.44 H new ATOM 0 HE2 LYS A 72 18.041 2.381 -1.544 1.00 40.00 H new ATOM 0 HE3 LYS A 72 18.923 1.190 -2.479 1.00 40.00 H new ATOM 0 HZ1 LYS A 72 19.275 3.410 -3.333 1.00 42.52 H new ATOM 0 HZ2 LYS A 72 18.464 2.466 -4.488 1.00 42.52 H new ATOM 0 HZ3 LYS A 72 17.609 3.620 -3.583 1.00 42.52 H new ATOM 1196 N LYS A 73 13.539 2.796 -1.116 1.00 53.25 N ATOM 1197 CA LYS A 73 13.228 4.098 -1.737 1.00 31.32 C ATOM 1198 C LYS A 73 11.803 4.580 -1.375 1.00 53.21 C ATOM 1199 O LYS A 73 11.435 5.729 -1.643 1.00 21.41 O ATOM 1200 CB LYS A 73 13.384 3.973 -3.265 1.00 13.34 C ATOM 1201 CG LYS A 73 13.090 5.245 -4.065 1.00 12.13 C ATOM 1202 CD LYS A 73 14.100 6.357 -3.790 1.00 45.50 C ATOM 1203 CE LYS A 73 13.891 7.553 -4.716 1.00 4.34 C ATOM 1204 NZ LYS A 73 14.063 7.194 -6.153 1.00 41.03 N ATOM 0 H LYS A 73 12.748 2.153 -1.075 1.00 53.25 H new ATOM 0 HA LYS A 73 13.924 4.843 -1.352 1.00 31.32 H new ATOM 0 HB2 LYS A 73 14.403 3.655 -3.484 1.00 13.34 H new ATOM 0 HB3 LYS A 73 12.721 3.182 -3.617 1.00 13.34 H new ATOM 0 HG2 LYS A 73 13.095 5.010 -5.129 1.00 12.13 H new ATOM 0 HG3 LYS A 73 12.089 5.600 -3.821 1.00 12.13 H new ATOM 0 HD2 LYS A 73 14.012 6.680 -2.753 1.00 45.50 H new ATOM 0 HD3 LYS A 73 15.111 5.970 -3.918 1.00 45.50 H new ATOM 0 HE2 LYS A 73 12.891 7.958 -4.562 1.00 4.34 H new ATOM 0 HE3 LYS A 73 14.598 8.340 -4.454 1.00 4.34 H new ATOM 0 HZ1 LYS A 73 14.300 8.047 -6.698 1.00 41.03 H new ATOM 0 HZ2 LYS A 73 14.831 6.499 -6.248 1.00 41.03 H new ATOM 0 HZ3 LYS A 73 13.179 6.785 -6.517 1.00 41.03 H new ATOM 1218 N GLY A 74 11.016 3.709 -0.740 1.00 65.22 N ATOM 1219 CA GLY A 74 9.606 3.995 -0.493 1.00 11.03 C ATOM 1220 C GLY A 74 8.800 4.039 -1.788 1.00 25.21 C ATOM 1221 O GLY A 74 8.179 3.049 -2.185 1.00 32.13 O ATOM 0 H GLY A 74 11.332 2.804 -0.390 1.00 65.22 H new ATOM 0 HA2 GLY A 74 9.191 3.233 0.167 1.00 11.03 H new ATOM 0 HA3 GLY A 74 9.514 4.950 0.025 1.00 11.03 H new ATOM 1225 N VAL A 75 8.837 5.187 -2.459 1.00 21.33 N ATOM 1226 CA VAL A 75 8.194 5.365 -3.764 1.00 4.21 C ATOM 1227 C VAL A 75 9.084 6.207 -4.689 1.00 30.12 C ATOM 1228 O VAL A 75 9.364 7.371 -4.403 1.00 25.22 O ATOM 1229 CB VAL A 75 6.809 6.050 -3.636 1.00 72.24 C ATOM 1230 CG1 VAL A 75 6.221 6.361 -5.013 1.00 61.55 C ATOM 1231 CG2 VAL A 75 5.848 5.186 -2.824 1.00 1.24 C ATOM 0 H VAL A 75 9.313 6.022 -2.116 1.00 21.33 H new ATOM 0 HA VAL A 75 8.051 4.371 -4.188 1.00 4.21 H new ATOM 0 HB VAL A 75 6.951 6.993 -3.108 1.00 72.24 H new ATOM 0 HG11 VAL A 75 5.250 6.841 -4.894 1.00 61.55 H new ATOM 0 HG12 VAL A 75 6.892 7.029 -5.553 1.00 61.55 H new ATOM 0 HG13 VAL A 75 6.102 5.435 -5.575 1.00 61.55 H new ATOM 0 HG21 VAL A 75 4.883 5.688 -2.748 1.00 1.24 H new ATOM 0 HG22 VAL A 75 5.718 4.223 -3.318 1.00 1.24 H new ATOM 0 HG23 VAL A 75 6.255 5.029 -1.825 1.00 1.24 H new ATOM 1241 N SER A 76 9.532 5.616 -5.790 1.00 14.15 N ATOM 1242 CA SER A 76 10.429 6.316 -6.725 1.00 24.01 C ATOM 1243 C SER A 76 9.640 7.122 -7.774 1.00 60.25 C ATOM 1244 O SER A 76 10.184 8.025 -8.411 1.00 64.44 O ATOM 1245 CB SER A 76 11.366 5.318 -7.422 1.00 51.33 C ATOM 1246 OG SER A 76 12.473 5.983 -8.011 1.00 61.04 O ATOM 0 H SER A 76 9.296 4.662 -6.063 1.00 14.15 H new ATOM 0 HA SER A 76 11.025 7.018 -6.142 1.00 24.01 H new ATOM 0 HB2 SER A 76 11.721 4.583 -6.700 1.00 51.33 H new ATOM 0 HB3 SER A 76 10.816 4.772 -8.188 1.00 51.33 H new ATOM 0 HG SER A 76 13.055 5.326 -8.447 1.00 61.04 H new ATOM 1252 N ALA A 77 8.357 6.792 -7.940 1.00 72.22 N ATOM 1253 CA ALA A 77 7.481 7.489 -8.896 1.00 33.02 C ATOM 1254 C ALA A 77 5.994 7.252 -8.571 1.00 53.01 C ATOM 1255 O ALA A 77 5.631 6.198 -8.054 1.00 33.35 O ATOM 1256 CB ALA A 77 7.787 7.035 -10.319 1.00 54.31 C ATOM 0 H ALA A 77 7.896 6.043 -7.424 1.00 72.22 H new ATOM 0 HA ALA A 77 7.677 8.558 -8.812 1.00 33.02 H new ATOM 0 HB1 ALA A 77 7.132 7.558 -11.016 1.00 54.31 H new ATOM 0 HB2 ALA A 77 8.826 7.261 -10.558 1.00 54.31 H new ATOM 0 HB3 ALA A 77 7.621 5.961 -10.402 1.00 54.31 H new ATOM 1262 N TRP A 78 5.142 8.231 -8.876 1.00 43.42 N ATOM 1263 CA TRP A 78 3.698 8.125 -8.597 1.00 24.22 C ATOM 1264 C TRP A 78 2.851 8.830 -9.672 1.00 22.53 C ATOM 1265 O TRP A 78 3.216 9.898 -10.166 1.00 13.31 O ATOM 1266 CB TRP A 78 3.374 8.704 -7.205 1.00 44.14 C ATOM 1267 CG TRP A 78 4.000 10.049 -6.934 1.00 40.14 C ATOM 1268 CD1 TRP A 78 5.231 10.285 -6.385 1.00 2.40 C ATOM 1269 CD2 TRP A 78 3.423 11.341 -7.188 1.00 75.35 C ATOM 1270 NE1 TRP A 78 5.453 11.638 -6.283 1.00 22.10 N ATOM 1271 CE2 TRP A 78 4.361 12.307 -6.768 1.00 63.33 C ATOM 1272 CE3 TRP A 78 2.211 11.776 -7.724 1.00 40.41 C ATOM 1273 CZ2 TRP A 78 4.123 13.676 -6.876 1.00 24.24 C ATOM 1274 CZ3 TRP A 78 1.976 13.133 -7.829 1.00 53.34 C ATOM 1275 CH2 TRP A 78 2.929 14.070 -7.406 1.00 54.35 C ATOM 0 H TRP A 78 5.420 9.108 -9.316 1.00 43.42 H new ATOM 0 HA TRP A 78 3.442 7.066 -8.615 1.00 24.22 H new ATOM 0 HB2 TRP A 78 2.292 8.792 -7.103 1.00 44.14 H new ATOM 0 HB3 TRP A 78 3.709 8.000 -6.444 1.00 44.14 H new ATOM 0 HD1 TRP A 78 5.927 9.519 -6.076 1.00 2.40 H new ATOM 0 HE1 TRP A 78 6.295 12.073 -5.907 1.00 22.10 H new ATOM 0 HE3 TRP A 78 1.468 11.063 -8.052 1.00 40.41 H new ATOM 0 HZ2 TRP A 78 4.857 14.399 -6.552 1.00 24.24 H new ATOM 0 HZ3 TRP A 78 1.041 13.479 -8.245 1.00 53.34 H new ATOM 0 HH2 TRP A 78 2.714 15.124 -7.501 1.00 54.35 H new ATOM 1286 N GLU A 79 1.720 8.221 -10.034 1.00 30.02 N ATOM 1287 CA GLU A 79 0.781 8.828 -10.993 1.00 51.41 C ATOM 1288 C GLU A 79 -0.606 9.018 -10.360 1.00 51.14 C ATOM 1289 O GLU A 79 -1.121 8.120 -9.692 1.00 12.12 O ATOM 1290 CB GLU A 79 0.641 7.952 -12.245 1.00 24.43 C ATOM 1291 CG GLU A 79 1.964 7.525 -12.870 1.00 24.13 C ATOM 1292 CD GLU A 79 1.774 6.671 -14.115 1.00 22.30 C ATOM 1293 OE1 GLU A 79 1.408 5.484 -13.981 1.00 34.33 O ATOM 1294 OE2 GLU A 79 1.980 7.188 -15.234 1.00 22.14 O ATOM 0 H GLU A 79 1.428 7.310 -9.681 1.00 30.02 H new ATOM 0 HA GLU A 79 1.185 9.801 -11.273 1.00 51.41 H new ATOM 0 HB2 GLU A 79 0.071 7.059 -11.986 1.00 24.43 H new ATOM 0 HB3 GLU A 79 0.061 8.496 -12.990 1.00 24.43 H new ATOM 0 HG2 GLU A 79 2.543 8.412 -13.127 1.00 24.13 H new ATOM 0 HG3 GLU A 79 2.545 6.967 -12.136 1.00 24.13 H new ATOM 1301 N GLU A 80 -1.214 10.179 -10.596 1.00 73.03 N ATOM 1302 CA GLU A 80 -2.547 10.493 -10.053 1.00 62.22 C ATOM 1303 C GLU A 80 -3.654 10.107 -11.056 1.00 63.03 C ATOM 1304 O GLU A 80 -3.847 10.781 -12.070 1.00 22.10 O ATOM 1305 CB GLU A 80 -2.651 11.991 -9.704 1.00 34.30 C ATOM 1306 CG GLU A 80 -1.716 12.442 -8.577 1.00 22.41 C ATOM 1307 CD GLU A 80 -1.822 13.936 -8.273 1.00 72.40 C ATOM 1308 OE1 GLU A 80 -2.841 14.362 -7.688 1.00 51.54 O ATOM 1309 OE2 GLU A 80 -0.900 14.697 -8.645 1.00 52.21 O ATOM 0 H GLU A 80 -0.808 10.925 -11.161 1.00 73.03 H new ATOM 0 HA GLU A 80 -2.685 9.909 -9.143 1.00 62.22 H new ATOM 0 HB2 GLU A 80 -2.433 12.576 -10.597 1.00 34.30 H new ATOM 0 HB3 GLU A 80 -3.679 12.215 -9.419 1.00 34.30 H new ATOM 0 HG2 GLU A 80 -1.946 11.876 -7.674 1.00 22.41 H new ATOM 0 HG3 GLU A 80 -0.688 12.205 -8.849 1.00 22.41 H new ATOM 1316 N VAL A 81 -4.373 9.022 -10.769 1.00 32.33 N ATOM 1317 CA VAL A 81 -5.416 8.514 -11.677 1.00 64.00 C ATOM 1318 C VAL A 81 -6.824 8.600 -11.053 1.00 43.31 C ATOM 1319 O VAL A 81 -6.976 8.748 -9.838 1.00 63.14 O ATOM 1320 CB VAL A 81 -5.126 7.048 -12.092 1.00 22.21 C ATOM 1321 CG1 VAL A 81 -3.809 6.955 -12.862 1.00 62.43 C ATOM 1322 CG2 VAL A 81 -5.107 6.128 -10.871 1.00 62.20 C ATOM 0 H VAL A 81 -4.257 8.474 -9.917 1.00 32.33 H new ATOM 0 HA VAL A 81 -5.395 9.153 -12.560 1.00 64.00 H new ATOM 0 HB VAL A 81 -5.930 6.717 -12.750 1.00 22.21 H new ATOM 0 HG11 VAL A 81 -3.625 5.918 -13.144 1.00 62.43 H new ATOM 0 HG12 VAL A 81 -3.868 7.570 -13.760 1.00 62.43 H new ATOM 0 HG13 VAL A 81 -2.993 7.310 -12.232 1.00 62.43 H new ATOM 0 HG21 VAL A 81 -4.902 5.106 -11.189 1.00 62.20 H new ATOM 0 HG22 VAL A 81 -4.330 6.456 -10.180 1.00 62.20 H new ATOM 0 HG23 VAL A 81 -6.075 6.165 -10.372 1.00 62.20 H new ATOM 1332 N LYS A 82 -7.856 8.501 -11.897 1.00 53.43 N ATOM 1333 CA LYS A 82 -9.251 8.590 -11.435 1.00 51.04 C ATOM 1334 C LYS A 82 -9.892 7.197 -11.311 1.00 30.43 C ATOM 1335 O LYS A 82 -9.589 6.294 -12.089 1.00 23.30 O ATOM 1336 CB LYS A 82 -10.099 9.450 -12.392 1.00 65.44 C ATOM 1337 CG LYS A 82 -9.457 10.781 -12.791 1.00 51.42 C ATOM 1338 CD LYS A 82 -8.746 10.697 -14.144 1.00 15.22 C ATOM 1339 CE LYS A 82 -9.731 10.425 -15.282 1.00 4.35 C ATOM 1340 NZ LYS A 82 -9.062 10.355 -16.608 1.00 64.33 N ATOM 0 H LYS A 82 -7.755 8.359 -12.902 1.00 53.43 H new ATOM 0 HA LYS A 82 -9.229 9.060 -10.452 1.00 51.04 H new ATOM 0 HB2 LYS A 82 -10.301 8.874 -13.295 1.00 65.44 H new ATOM 0 HB3 LYS A 82 -11.061 9.652 -11.922 1.00 65.44 H new ATOM 0 HG2 LYS A 82 -10.224 11.554 -12.833 1.00 51.42 H new ATOM 0 HG3 LYS A 82 -8.742 11.082 -12.025 1.00 51.42 H new ATOM 0 HD2 LYS A 82 -8.216 11.630 -14.336 1.00 15.22 H new ATOM 0 HD3 LYS A 82 -7.997 9.906 -14.113 1.00 15.22 H new ATOM 0 HE2 LYS A 82 -10.252 9.487 -15.091 1.00 4.35 H new ATOM 0 HE3 LYS A 82 -10.486 11.211 -15.300 1.00 4.35 H new ATOM 0 HZ1 LYS A 82 -9.774 10.186 -17.347 1.00 64.33 H new ATOM 0 HZ2 LYS A 82 -8.572 11.253 -16.798 1.00 64.33 H new ATOM 0 HZ3 LYS A 82 -8.372 9.577 -16.608 1.00 64.33 H new ATOM 1354 N LYS A 83 -10.801 7.044 -10.346 1.00 75.01 N ATOM 1355 CA LYS A 83 -11.489 5.765 -10.116 1.00 13.42 C ATOM 1356 C LYS A 83 -12.230 5.261 -11.371 1.00 20.41 C ATOM 1357 O LYS A 83 -12.472 4.064 -11.518 1.00 52.50 O ATOM 1358 CB LYS A 83 -12.482 5.876 -8.946 1.00 30.42 C ATOM 1359 CG LYS A 83 -13.744 6.691 -9.247 1.00 62.45 C ATOM 1360 CD LYS A 83 -13.466 8.187 -9.368 1.00 15.22 C ATOM 1361 CE LYS A 83 -14.721 8.964 -9.753 1.00 34.14 C ATOM 1362 NZ LYS A 83 -15.846 8.722 -8.811 1.00 23.12 N ATOM 0 H LYS A 83 -11.081 7.789 -9.708 1.00 75.01 H new ATOM 0 HA LYS A 83 -10.714 5.040 -9.869 1.00 13.42 H new ATOM 0 HB2 LYS A 83 -12.779 4.872 -8.644 1.00 30.42 H new ATOM 0 HB3 LYS A 83 -11.970 6.326 -8.096 1.00 30.42 H new ATOM 0 HG2 LYS A 83 -14.190 6.333 -10.175 1.00 62.45 H new ATOM 0 HG3 LYS A 83 -14.476 6.525 -8.456 1.00 62.45 H new ATOM 0 HD2 LYS A 83 -13.081 8.564 -8.420 1.00 15.22 H new ATOM 0 HD3 LYS A 83 -12.691 8.354 -10.116 1.00 15.22 H new ATOM 0 HE2 LYS A 83 -14.493 10.030 -9.777 1.00 34.14 H new ATOM 0 HE3 LYS A 83 -15.026 8.681 -10.760 1.00 34.14 H new ATOM 0 HZ1 LYS A 83 -16.616 9.393 -9.010 1.00 23.12 H new ATOM 0 HZ2 LYS A 83 -16.195 7.749 -8.929 1.00 23.12 H new ATOM 0 HZ3 LYS A 83 -15.515 8.855 -7.834 1.00 23.12 H new ATOM 1376 N ASP A 84 -12.595 6.182 -12.265 1.00 12.23 N ATOM 1377 CA ASP A 84 -13.317 5.838 -13.499 1.00 62.52 C ATOM 1378 C ASP A 84 -12.527 4.832 -14.354 1.00 1.24 C ATOM 1379 O ASP A 84 -13.051 3.795 -14.771 1.00 71.11 O ATOM 1380 CB ASP A 84 -13.581 7.107 -14.315 1.00 12.20 C ATOM 1381 CG ASP A 84 -14.196 8.212 -13.477 1.00 65.12 C ATOM 1382 OD1 ASP A 84 -13.430 8.995 -12.876 1.00 54.41 O ATOM 1383 OD2 ASP A 84 -15.436 8.304 -13.409 1.00 20.14 O ATOM 0 H ASP A 84 -12.403 7.178 -12.159 1.00 12.23 H new ATOM 0 HA ASP A 84 -14.262 5.374 -13.216 1.00 62.52 H new ATOM 0 HB2 ASP A 84 -12.645 7.460 -14.747 1.00 12.20 H new ATOM 0 HB3 ASP A 84 -14.246 6.871 -15.145 1.00 12.20 H new ATOM 1388 N GLU A 85 -11.257 5.148 -14.599 1.00 52.11 N ATOM 1389 CA GLU A 85 -10.397 4.324 -15.459 1.00 51.33 C ATOM 1390 C GLU A 85 -9.774 3.152 -14.681 1.00 24.33 C ATOM 1391 O GLU A 85 -9.061 2.323 -15.249 1.00 45.20 O ATOM 1392 CB GLU A 85 -9.302 5.197 -16.093 1.00 72.22 C ATOM 1393 CG GLU A 85 -9.853 6.421 -16.817 1.00 23.42 C ATOM 1394 CD GLU A 85 -8.778 7.236 -17.513 1.00 32.13 C ATOM 1395 OE1 GLU A 85 -7.941 7.848 -16.814 1.00 1.24 O ATOM 1396 OE2 GLU A 85 -8.772 7.282 -18.761 1.00 2.20 O ATOM 0 H GLU A 85 -10.795 5.972 -14.214 1.00 52.11 H new ATOM 0 HA GLU A 85 -11.016 3.897 -16.248 1.00 51.33 H new ATOM 0 HB2 GLU A 85 -8.611 5.523 -15.316 1.00 72.22 H new ATOM 0 HB3 GLU A 85 -8.728 4.594 -16.797 1.00 72.22 H new ATOM 0 HG2 GLU A 85 -10.590 6.099 -17.553 1.00 23.42 H new ATOM 0 HG3 GLU A 85 -10.374 7.055 -16.100 1.00 23.42 H new ATOM 1403 N LEU A 86 -10.052 3.088 -13.384 1.00 34.54 N ATOM 1404 CA LEU A 86 -9.590 1.985 -12.540 1.00 13.15 C ATOM 1405 C LEU A 86 -10.653 0.880 -12.452 1.00 2.45 C ATOM 1406 O LEU A 86 -11.856 1.161 -12.459 1.00 71.40 O ATOM 1407 CB LEU A 86 -9.256 2.497 -11.131 1.00 74.44 C ATOM 1408 CG LEU A 86 -8.037 3.426 -11.039 1.00 42.44 C ATOM 1409 CD1 LEU A 86 -7.900 3.990 -9.629 1.00 64.33 C ATOM 1410 CD2 LEU A 86 -6.761 2.686 -11.451 1.00 61.21 C ATOM 0 H LEU A 86 -10.599 3.792 -12.888 1.00 34.54 H new ATOM 0 HA LEU A 86 -8.691 1.567 -12.993 1.00 13.15 H new ATOM 0 HB2 LEU A 86 -10.125 3.026 -10.740 1.00 74.44 H new ATOM 0 HB3 LEU A 86 -9.087 1.638 -10.482 1.00 74.44 H new ATOM 0 HG LEU A 86 -8.186 4.257 -11.728 1.00 42.44 H new ATOM 0 HD11 LEU A 86 -7.031 4.646 -9.582 1.00 64.33 H new ATOM 0 HD12 LEU A 86 -8.796 4.556 -9.375 1.00 64.33 H new ATOM 0 HD13 LEU A 86 -7.775 3.171 -8.920 1.00 64.33 H new ATOM 0 HD21 LEU A 86 -5.909 3.362 -11.379 1.00 61.21 H new ATOM 0 HD22 LEU A 86 -6.605 1.834 -10.790 1.00 61.21 H new ATOM 0 HD23 LEU A 86 -6.860 2.335 -12.478 1.00 61.21 H new ATOM 1422 N PRO A 87 -10.229 -0.396 -12.382 1.00 13.12 N ATOM 1423 CA PRO A 87 -11.157 -1.525 -12.215 1.00 43.34 C ATOM 1424 C PRO A 87 -11.946 -1.447 -10.895 1.00 40.43 C ATOM 1425 O PRO A 87 -11.401 -1.699 -9.815 1.00 51.32 O ATOM 1426 CB PRO A 87 -10.237 -2.762 -12.228 1.00 54.42 C ATOM 1427 CG PRO A 87 -8.969 -2.294 -12.869 1.00 21.31 C ATOM 1428 CD PRO A 87 -8.828 -0.845 -12.481 1.00 14.05 C ATOM 0 HA PRO A 87 -11.917 -1.542 -12.996 1.00 43.34 H new ATOM 0 HB2 PRO A 87 -10.056 -3.130 -11.218 1.00 54.42 H new ATOM 0 HB3 PRO A 87 -10.685 -3.581 -12.791 1.00 54.42 H new ATOM 0 HG2 PRO A 87 -8.116 -2.877 -12.522 1.00 21.31 H new ATOM 0 HG3 PRO A 87 -9.013 -2.407 -13.952 1.00 21.31 H new ATOM 0 HD2 PRO A 87 -8.298 -0.729 -11.535 1.00 14.05 H new ATOM 0 HD3 PRO A 87 -8.273 -0.278 -13.229 1.00 14.05 H new ATOM 1436 N ALA A 88 -13.231 -1.089 -10.990 1.00 55.00 N ATOM 1437 CA ALA A 88 -14.111 -1.000 -9.814 1.00 51.24 C ATOM 1438 C ALA A 88 -14.114 -2.310 -9.008 1.00 3.42 C ATOM 1439 O ALA A 88 -14.383 -2.309 -7.805 1.00 13.01 O ATOM 1440 CB ALA A 88 -15.528 -0.630 -10.243 1.00 54.40 C ATOM 0 H ALA A 88 -13.688 -0.855 -11.871 1.00 55.00 H new ATOM 0 HA ALA A 88 -13.722 -0.217 -9.163 1.00 51.24 H new ATOM 0 HB1 ALA A 88 -16.170 -0.567 -9.364 1.00 54.40 H new ATOM 0 HB2 ALA A 88 -15.514 0.334 -10.752 1.00 54.40 H new ATOM 0 HB3 ALA A 88 -15.914 -1.392 -10.920 1.00 54.40 H new ATOM 1446 N LYS A 89 -13.795 -3.411 -9.691 1.00 21.15 N ATOM 1447 CA LYS A 89 -13.646 -4.743 -9.079 1.00 72.10 C ATOM 1448 C LYS A 89 -12.939 -4.685 -7.711 1.00 34.41 C ATOM 1449 O LYS A 89 -13.323 -5.386 -6.772 1.00 15.32 O ATOM 1450 CB LYS A 89 -12.850 -5.636 -10.041 1.00 52.23 C ATOM 1451 CG LYS A 89 -12.607 -7.061 -9.551 1.00 44.20 C ATOM 1452 CD LYS A 89 -11.694 -7.821 -10.511 1.00 61.12 C ATOM 1453 CE LYS A 89 -11.422 -9.248 -10.050 1.00 71.34 C ATOM 1454 NZ LYS A 89 -10.467 -9.947 -10.954 1.00 74.43 N ATOM 0 H LYS A 89 -13.630 -3.408 -10.698 1.00 21.15 H new ATOM 0 HA LYS A 89 -14.641 -5.152 -8.904 1.00 72.10 H new ATOM 0 HB2 LYS A 89 -13.380 -5.681 -10.993 1.00 52.23 H new ATOM 0 HB3 LYS A 89 -11.886 -5.166 -10.235 1.00 52.23 H new ATOM 0 HG2 LYS A 89 -12.157 -7.036 -8.558 1.00 44.20 H new ATOM 0 HG3 LYS A 89 -13.558 -7.584 -9.457 1.00 44.20 H new ATOM 0 HD2 LYS A 89 -12.150 -7.843 -11.501 1.00 61.12 H new ATOM 0 HD3 LYS A 89 -10.749 -7.287 -10.608 1.00 61.12 H new ATOM 0 HE2 LYS A 89 -11.019 -9.233 -9.037 1.00 71.34 H new ATOM 0 HE3 LYS A 89 -12.359 -9.803 -10.012 1.00 71.34 H new ATOM 0 HZ1 LYS A 89 -10.307 -10.915 -10.608 1.00 74.43 H new ATOM 0 HZ2 LYS A 89 -10.862 -9.984 -11.915 1.00 74.43 H new ATOM 0 HZ3 LYS A 89 -9.564 -9.431 -10.971 1.00 74.43 H new ATOM 1468 N VAL A 90 -11.914 -3.842 -7.610 1.00 75.31 N ATOM 1469 CA VAL A 90 -11.141 -3.696 -6.370 1.00 72.52 C ATOM 1470 C VAL A 90 -12.037 -3.288 -5.184 1.00 11.22 C ATOM 1471 O VAL A 90 -11.954 -3.867 -4.100 1.00 63.31 O ATOM 1472 CB VAL A 90 -10.011 -2.644 -6.543 1.00 22.30 C ATOM 1473 CG1 VAL A 90 -9.182 -2.507 -5.266 1.00 11.44 C ATOM 1474 CG2 VAL A 90 -9.117 -3.002 -7.732 1.00 12.21 C ATOM 0 H VAL A 90 -11.595 -3.245 -8.373 1.00 75.31 H new ATOM 0 HA VAL A 90 -10.701 -4.670 -6.155 1.00 72.52 H new ATOM 0 HB VAL A 90 -10.479 -1.680 -6.742 1.00 22.30 H new ATOM 0 HG11 VAL A 90 -8.399 -1.764 -5.418 1.00 11.44 H new ATOM 0 HG12 VAL A 90 -9.827 -2.192 -4.446 1.00 11.44 H new ATOM 0 HG13 VAL A 90 -8.728 -3.467 -5.022 1.00 11.44 H new ATOM 0 HG21 VAL A 90 -8.332 -2.253 -7.836 1.00 12.21 H new ATOM 0 HG22 VAL A 90 -8.665 -3.980 -7.566 1.00 12.21 H new ATOM 0 HG23 VAL A 90 -9.716 -3.029 -8.642 1.00 12.21 H new ATOM 1484 N LYS A 91 -12.903 -2.301 -5.403 1.00 65.34 N ATOM 1485 CA LYS A 91 -13.802 -1.815 -4.349 1.00 65.10 C ATOM 1486 C LYS A 91 -15.075 -2.673 -4.248 1.00 4.42 C ATOM 1487 O LYS A 91 -15.636 -2.835 -3.164 1.00 4.21 O ATOM 1488 CB LYS A 91 -14.181 -0.348 -4.603 1.00 54.41 C ATOM 1489 CG LYS A 91 -15.167 0.218 -3.580 1.00 3.21 C ATOM 1490 CD LYS A 91 -15.486 1.688 -3.839 1.00 63.24 C ATOM 1491 CE LYS A 91 -16.498 2.233 -2.833 1.00 31.43 C ATOM 1492 NZ LYS A 91 -16.035 2.067 -1.425 1.00 34.43 N ATOM 0 H LYS A 91 -13.004 -1.821 -6.297 1.00 65.34 H new ATOM 0 HA LYS A 91 -13.267 -1.892 -3.402 1.00 65.10 H new ATOM 0 HB2 LYS A 91 -13.275 0.259 -4.596 1.00 54.41 H new ATOM 0 HB3 LYS A 91 -14.615 -0.261 -5.599 1.00 54.41 H new ATOM 0 HG2 LYS A 91 -16.089 -0.362 -3.607 1.00 3.21 H new ATOM 0 HG3 LYS A 91 -14.751 0.109 -2.578 1.00 3.21 H new ATOM 0 HD2 LYS A 91 -14.569 2.274 -3.786 1.00 63.24 H new ATOM 0 HD3 LYS A 91 -15.879 1.802 -4.849 1.00 63.24 H new ATOM 0 HE2 LYS A 91 -16.675 3.290 -3.034 1.00 31.43 H new ATOM 0 HE3 LYS A 91 -17.451 1.720 -2.964 1.00 31.43 H new ATOM 0 HZ1 LYS A 91 -16.644 2.624 -0.792 1.00 34.43 H new ATOM 0 HZ2 LYS A 91 -16.085 1.063 -1.159 1.00 34.43 H new ATOM 0 HZ3 LYS A 91 -15.053 2.399 -1.341 1.00 34.43 H new ATOM 1506 N GLU A 92 -15.525 -3.213 -5.380 1.00 43.42 N ATOM 1507 CA GLU A 92 -16.758 -4.011 -5.424 1.00 11.03 C ATOM 1508 C GLU A 92 -16.609 -5.346 -4.677 1.00 32.11 C ATOM 1509 O GLU A 92 -17.514 -5.766 -3.954 1.00 61.41 O ATOM 1510 CB GLU A 92 -17.173 -4.284 -6.878 1.00 21.12 C ATOM 1511 CG GLU A 92 -17.509 -3.028 -7.673 1.00 3.41 C ATOM 1512 CD GLU A 92 -17.985 -3.337 -9.085 1.00 72.43 C ATOM 1513 OE1 GLU A 92 -17.137 -3.614 -9.958 1.00 11.31 O ATOM 1514 OE2 GLU A 92 -19.213 -3.306 -9.328 1.00 72.21 O ATOM 0 H GLU A 92 -15.057 -3.115 -6.281 1.00 43.42 H new ATOM 0 HA GLU A 92 -17.531 -3.427 -4.924 1.00 11.03 H new ATOM 0 HB2 GLU A 92 -16.366 -4.815 -7.382 1.00 21.12 H new ATOM 0 HB3 GLU A 92 -18.039 -4.945 -6.880 1.00 21.12 H new ATOM 0 HG2 GLU A 92 -18.282 -2.467 -7.148 1.00 3.41 H new ATOM 0 HG3 GLU A 92 -16.628 -2.388 -7.723 1.00 3.41 H new ATOM 1521 N LYS A 93 -15.471 -6.012 -4.858 1.00 1.54 N ATOM 1522 CA LYS A 93 -15.250 -7.334 -4.257 1.00 11.12 C ATOM 1523 C LYS A 93 -14.842 -7.227 -2.774 1.00 13.41 C ATOM 1524 O LYS A 93 -15.130 -8.118 -1.974 1.00 72.53 O ATOM 1525 CB LYS A 93 -14.178 -8.101 -5.049 1.00 2.24 C ATOM 1526 CG LYS A 93 -14.308 -9.619 -4.953 1.00 54.53 C ATOM 1527 CD LYS A 93 -15.595 -10.106 -5.623 1.00 0.41 C ATOM 1528 CE LYS A 93 -15.727 -11.625 -5.596 1.00 55.42 C ATOM 1529 NZ LYS A 93 -16.894 -12.083 -6.397 1.00 53.23 N ATOM 0 H LYS A 93 -14.689 -5.664 -5.412 1.00 1.54 H new ATOM 0 HA LYS A 93 -16.192 -7.880 -4.301 1.00 11.12 H new ATOM 0 HB2 LYS A 93 -14.234 -7.807 -6.097 1.00 2.24 H new ATOM 0 HB3 LYS A 93 -13.193 -7.807 -4.688 1.00 2.24 H new ATOM 0 HG2 LYS A 93 -13.447 -10.091 -5.426 1.00 54.53 H new ATOM 0 HG3 LYS A 93 -14.302 -9.922 -3.906 1.00 54.53 H new ATOM 0 HD2 LYS A 93 -16.454 -9.661 -5.121 1.00 0.41 H new ATOM 0 HD3 LYS A 93 -15.616 -9.761 -6.657 1.00 0.41 H new ATOM 0 HE2 LYS A 93 -14.816 -12.078 -5.986 1.00 55.42 H new ATOM 0 HE3 LYS A 93 -15.835 -11.964 -4.566 1.00 55.42 H new ATOM 0 HZ1 LYS A 93 -17.153 -13.049 -6.112 1.00 53.23 H new ATOM 0 HZ2 LYS A 93 -17.699 -11.446 -6.233 1.00 53.23 H new ATOM 0 HZ3 LYS A 93 -16.646 -12.075 -7.407 1.00 53.23 H new ATOM 1543 N LEU A 94 -14.176 -6.134 -2.414 1.00 53.23 N ATOM 1544 CA LEU A 94 -13.722 -5.917 -1.035 1.00 3.23 C ATOM 1545 C LEU A 94 -14.911 -5.785 -0.067 1.00 63.15 C ATOM 1546 O LEU A 94 -15.615 -4.773 -0.060 1.00 54.04 O ATOM 1547 CB LEU A 94 -12.836 -4.663 -0.966 1.00 10.30 C ATOM 1548 CG LEU A 94 -12.237 -4.340 0.416 1.00 62.25 C ATOM 1549 CD1 LEU A 94 -11.326 -5.472 0.890 1.00 2.51 C ATOM 1550 CD2 LEU A 94 -11.481 -3.012 0.377 1.00 60.11 C ATOM 0 H LEU A 94 -13.936 -5.380 -3.057 1.00 53.23 H new ATOM 0 HA LEU A 94 -13.139 -6.786 -0.729 1.00 3.23 H new ATOM 0 HB2 LEU A 94 -12.018 -4.780 -1.677 1.00 10.30 H new ATOM 0 HB3 LEU A 94 -13.425 -3.807 -1.295 1.00 10.30 H new ATOM 0 HG LEU A 94 -13.055 -4.245 1.130 1.00 62.25 H new ATOM 0 HD11 LEU A 94 -10.914 -5.222 1.868 1.00 2.51 H new ATOM 0 HD12 LEU A 94 -11.901 -6.395 0.963 1.00 2.51 H new ATOM 0 HD13 LEU A 94 -10.512 -5.607 0.177 1.00 2.51 H new ATOM 0 HD21 LEU A 94 -11.065 -2.801 1.362 1.00 60.11 H new ATOM 0 HD22 LEU A 94 -10.673 -3.074 -0.352 1.00 60.11 H new ATOM 0 HD23 LEU A 94 -12.165 -2.212 0.093 1.00 60.11 H new ATOM 1562 N GLY A 95 -15.133 -6.820 0.746 1.00 63.14 N ATOM 1563 CA GLY A 95 -16.237 -6.806 1.704 1.00 25.41 C ATOM 1564 C GLY A 95 -17.496 -7.501 1.187 1.00 2.15 C ATOM 1565 O GLY A 95 -18.510 -7.570 1.886 1.00 14.33 O ATOM 0 H GLY A 95 -14.569 -7.670 0.760 1.00 63.14 H new ATOM 0 HA2 GLY A 95 -15.915 -7.291 2.626 1.00 25.41 H new ATOM 0 HA3 GLY A 95 -16.478 -5.773 1.955 1.00 25.41 H new ATOM 1569 N VAL A 96 -17.438 -8.018 -0.041 1.00 62.54 N ATOM 1570 CA VAL A 96 -18.578 -8.719 -0.648 1.00 72.03 C ATOM 1571 C VAL A 96 -18.177 -10.131 -1.116 1.00 71.15 C ATOM 1572 O VAL A 96 -17.050 -10.358 -1.556 1.00 32.31 O ATOM 1573 CB VAL A 96 -19.155 -7.919 -1.848 1.00 4.44 C ATOM 1574 CG1 VAL A 96 -20.409 -8.588 -2.413 1.00 50.21 C ATOM 1575 CG2 VAL A 96 -19.450 -6.475 -1.441 1.00 64.25 C ATOM 0 H VAL A 96 -16.613 -7.966 -0.639 1.00 62.54 H new ATOM 0 HA VAL A 96 -19.347 -8.806 0.119 1.00 72.03 H new ATOM 0 HB VAL A 96 -18.401 -7.910 -2.635 1.00 4.44 H new ATOM 0 HG11 VAL A 96 -20.787 -8.003 -3.251 1.00 50.21 H new ATOM 0 HG12 VAL A 96 -20.163 -9.593 -2.754 1.00 50.21 H new ATOM 0 HG13 VAL A 96 -21.172 -8.645 -1.637 1.00 50.21 H new ATOM 0 HG21 VAL A 96 -19.853 -5.931 -2.295 1.00 64.25 H new ATOM 0 HG22 VAL A 96 -20.178 -6.467 -0.629 1.00 64.25 H new ATOM 0 HG23 VAL A 96 -18.530 -5.996 -1.108 1.00 64.25 H new ATOM 1585 N LYS A 97 -19.105 -11.083 -1.013 1.00 41.55 N ATOM 1586 CA LYS A 97 -18.843 -12.471 -1.431 1.00 14.42 C ATOM 1587 C LYS A 97 -19.697 -12.884 -2.646 1.00 21.53 C ATOM 1588 O LYS A 97 -19.851 -14.071 -2.937 1.00 21.33 O ATOM 1589 CB LYS A 97 -19.029 -13.453 -0.246 1.00 60.43 C ATOM 1590 CG LYS A 97 -19.857 -12.922 0.929 1.00 62.20 C ATOM 1591 CD LYS A 97 -21.339 -12.775 0.589 1.00 62.03 C ATOM 1592 CE LYS A 97 -22.158 -12.345 1.807 1.00 43.22 C ATOM 1593 NZ LYS A 97 -23.606 -12.204 1.492 1.00 74.12 N ATOM 0 H LYS A 97 -20.043 -10.925 -0.646 1.00 41.55 H new ATOM 0 HA LYS A 97 -17.802 -12.521 -1.749 1.00 14.42 H new ATOM 0 HB2 LYS A 97 -19.503 -14.361 -0.620 1.00 60.43 H new ATOM 0 HB3 LYS A 97 -18.044 -13.737 0.125 1.00 60.43 H new ATOM 0 HG2 LYS A 97 -19.749 -13.597 1.778 1.00 62.20 H new ATOM 0 HG3 LYS A 97 -19.462 -11.954 1.238 1.00 62.20 H new ATOM 0 HD2 LYS A 97 -21.459 -12.041 -0.208 1.00 62.03 H new ATOM 0 HD3 LYS A 97 -21.721 -13.723 0.209 1.00 62.03 H new ATOM 0 HE2 LYS A 97 -22.031 -13.077 2.604 1.00 43.22 H new ATOM 0 HE3 LYS A 97 -21.776 -11.396 2.182 1.00 43.22 H new ATOM 0 HZ1 LYS A 97 -24.120 -11.911 2.347 1.00 74.12 H new ATOM 0 HZ2 LYS A 97 -23.732 -11.486 0.750 1.00 74.12 H new ATOM 0 HZ3 LYS A 97 -23.979 -13.116 1.159 1.00 74.12 H new ATOM 1607 N LEU A 98 -20.231 -11.895 -3.367 1.00 74.42 N ATOM 1608 CA LEU A 98 -20.957 -12.144 -4.626 1.00 34.31 C ATOM 1609 C LEU A 98 -20.231 -11.500 -5.815 1.00 22.12 C ATOM 1610 O LEU A 98 -19.249 -10.775 -5.644 1.00 61.31 O ATOM 1611 CB LEU A 98 -22.397 -11.593 -4.576 1.00 74.13 C ATOM 1612 CG LEU A 98 -23.342 -12.232 -3.539 1.00 45.12 C ATOM 1613 CD1 LEU A 98 -23.068 -11.693 -2.140 1.00 1.35 C ATOM 1614 CD2 LEU A 98 -24.802 -12.007 -3.930 1.00 13.13 C ATOM 0 H LEU A 98 -20.177 -10.911 -3.104 1.00 74.42 H new ATOM 0 HA LEU A 98 -20.994 -13.226 -4.754 1.00 34.31 H new ATOM 0 HB2 LEU A 98 -22.346 -10.522 -4.377 1.00 74.13 H new ATOM 0 HB3 LEU A 98 -22.843 -11.713 -5.563 1.00 74.13 H new ATOM 0 HG LEU A 98 -23.151 -13.305 -3.527 1.00 45.12 H new ATOM 0 HD11 LEU A 98 -23.749 -12.161 -1.430 1.00 1.35 H new ATOM 0 HD12 LEU A 98 -22.039 -11.918 -1.858 1.00 1.35 H new ATOM 0 HD13 LEU A 98 -23.219 -10.614 -2.130 1.00 1.35 H new ATOM 0 HD21 LEU A 98 -25.453 -12.466 -3.186 1.00 13.13 H new ATOM 0 HD22 LEU A 98 -25.005 -10.937 -3.980 1.00 13.13 H new ATOM 0 HD23 LEU A 98 -24.991 -12.458 -4.904 1.00 13.13 H new ATOM 1626 N GLU A 99 -20.710 -11.798 -7.020 1.00 43.23 N ATOM 1627 CA GLU A 99 -20.259 -11.109 -8.236 1.00 4.40 C ATOM 1628 C GLU A 99 -21.328 -10.095 -8.673 1.00 61.34 C ATOM 1629 O GLU A 99 -21.020 -8.967 -9.066 1.00 4.43 O ATOM 1630 CB GLU A 99 -19.991 -12.116 -9.371 1.00 22.32 C ATOM 1631 CG GLU A 99 -18.879 -13.129 -9.079 1.00 2.33 C ATOM 1632 CD GLU A 99 -19.230 -14.116 -7.969 1.00 51.22 C ATOM 1633 OE1 GLU A 99 -20.134 -14.952 -8.178 1.00 64.11 O ATOM 1634 OE2 GLU A 99 -18.606 -14.057 -6.885 1.00 72.22 O ATOM 0 H GLU A 99 -21.415 -12.516 -7.185 1.00 43.23 H new ATOM 0 HA GLU A 99 -19.326 -10.588 -8.019 1.00 4.40 H new ATOM 0 HB2 GLU A 99 -20.912 -12.659 -9.582 1.00 22.32 H new ATOM 0 HB3 GLU A 99 -19.733 -11.564 -10.275 1.00 22.32 H new ATOM 0 HG2 GLU A 99 -18.656 -13.684 -9.990 1.00 2.33 H new ATOM 0 HG3 GLU A 99 -17.972 -12.591 -8.803 1.00 2.33 H new ATOM 1641 N HIS A 100 -22.587 -10.528 -8.604 1.00 62.13 N ATOM 1642 CA HIS A 100 -23.744 -9.651 -8.801 1.00 42.34 C ATOM 1643 C HIS A 100 -25.024 -10.381 -8.346 1.00 34.35 C ATOM 1644 O HIS A 100 -25.556 -10.108 -7.273 1.00 34.31 O ATOM 1645 CB HIS A 100 -23.864 -9.208 -10.271 1.00 60.42 C ATOM 1646 CG HIS A 100 -24.796 -8.051 -10.484 1.00 62.43 C ATOM 1647 ND1 HIS A 100 -24.360 -6.775 -10.772 1.00 71.44 N ATOM 1648 CD2 HIS A 100 -26.149 -7.981 -10.455 1.00 25.54 C ATOM 1649 CE1 HIS A 100 -25.397 -5.977 -10.906 1.00 75.10 C ATOM 1650 NE2 HIS A 100 -26.493 -6.681 -10.720 1.00 72.45 N ATOM 0 H HIS A 100 -22.835 -11.498 -8.410 1.00 62.13 H new ATOM 0 HA HIS A 100 -23.609 -8.752 -8.199 1.00 42.34 H new ATOM 0 HB2 HIS A 100 -22.875 -8.938 -10.641 1.00 60.42 H new ATOM 0 HB3 HIS A 100 -24.207 -10.053 -10.868 1.00 60.42 H new ATOM 0 HD2 HIS A 100 -26.829 -8.797 -10.260 1.00 25.54 H new ATOM 0 HE1 HIS A 100 -25.356 -4.921 -11.131 1.00 75.10 H new ATOM 0 HE2 HIS A 100 -27.445 -6.318 -10.766 1.00 72.45 H new ATOM 1659 N HIS A 101 -25.501 -11.319 -9.171 1.00 74.44 N ATOM 1660 CA HIS A 101 -26.629 -12.204 -8.822 1.00 73.23 C ATOM 1661 C HIS A 101 -26.613 -13.464 -9.704 1.00 2.41 C ATOM 1662 O HIS A 101 -26.409 -13.382 -10.917 1.00 43.03 O ATOM 1663 CB HIS A 101 -27.988 -11.490 -8.954 1.00 51.51 C ATOM 1664 CG HIS A 101 -28.313 -10.578 -7.808 1.00 62.24 C ATOM 1665 ND1 HIS A 101 -28.577 -11.041 -6.536 1.00 51.20 N ATOM 1666 CD2 HIS A 101 -28.398 -9.228 -7.736 1.00 44.10 C ATOM 1667 CE1 HIS A 101 -28.809 -10.019 -5.736 1.00 30.41 C ATOM 1668 NE2 HIS A 101 -28.706 -8.909 -6.437 1.00 53.25 N ATOM 0 H HIS A 101 -25.119 -11.490 -10.101 1.00 74.44 H new ATOM 0 HA HIS A 101 -26.504 -12.489 -7.777 1.00 73.23 H new ATOM 0 HB2 HIS A 101 -27.995 -10.912 -9.878 1.00 51.51 H new ATOM 0 HB3 HIS A 101 -28.774 -12.240 -9.042 1.00 51.51 H new ATOM 0 HD2 HIS A 101 -28.251 -8.532 -8.549 1.00 44.10 H new ATOM 0 HE1 HIS A 101 -29.044 -10.082 -4.684 1.00 30.41 H new ATOM 0 HE2 HIS A 101 -28.834 -7.965 -6.073 1.00 53.25 H new ATOM 1677 N HIS A 102 -26.838 -14.627 -9.096 1.00 4.14 N ATOM 1678 CA HIS A 102 -26.767 -15.904 -9.821 1.00 72.44 C ATOM 1679 C HIS A 102 -27.954 -16.090 -10.778 1.00 63.21 C ATOM 1680 O HIS A 102 -28.985 -16.659 -10.412 1.00 62.04 O ATOM 1681 CB HIS A 102 -26.691 -17.079 -8.837 1.00 72.52 C ATOM 1682 CG HIS A 102 -25.402 -17.136 -8.074 1.00 53.45 C ATOM 1683 ND1 HIS A 102 -24.399 -18.036 -8.362 1.00 43.32 N ATOM 1684 CD2 HIS A 102 -24.952 -16.401 -7.031 1.00 45.24 C ATOM 1685 CE1 HIS A 102 -23.391 -17.852 -7.535 1.00 14.12 C ATOM 1686 NE2 HIS A 102 -23.701 -16.868 -6.718 1.00 51.12 N ATOM 0 H HIS A 102 -27.071 -14.717 -8.107 1.00 4.14 H new ATOM 0 HA HIS A 102 -25.859 -15.883 -10.423 1.00 72.44 H new ATOM 0 HB2 HIS A 102 -27.519 -17.006 -8.132 1.00 72.52 H new ATOM 0 HB3 HIS A 102 -26.821 -18.012 -9.386 1.00 72.52 H new ATOM 0 HD2 HIS A 102 -25.479 -15.598 -6.538 1.00 45.24 H new ATOM 0 HE1 HIS A 102 -22.468 -18.413 -7.528 1.00 14.12 H new ATOM 0 HE2 HIS A 102 -23.106 -16.510 -5.971 1.00 51.12 H new ATOM 1695 N HIS A 103 -27.804 -15.574 -11.997 1.00 11.33 N ATOM 1696 CA HIS A 103 -28.829 -15.700 -13.047 1.00 71.44 C ATOM 1697 C HIS A 103 -28.193 -15.692 -14.450 1.00 25.42 C ATOM 1698 O HIS A 103 -27.720 -14.653 -14.912 1.00 22.35 O ATOM 1699 CB HIS A 103 -29.854 -14.554 -12.951 1.00 31.54 C ATOM 1700 CG HIS A 103 -30.728 -14.597 -11.734 1.00 75.23 C ATOM 1701 ND1 HIS A 103 -30.618 -13.978 -10.532 1.00 11.53 N flip ATOM 1702 CD2 HIS A 103 -31.884 -15.343 -11.667 1.00 3.23 C flip ATOM 1703 CE1 HIS A 103 -31.700 -14.362 -9.782 1.00 13.12 C flip ATOM 1704 NE2 HIS A 103 -32.447 -15.182 -10.489 1.00 64.34 N flip ATOM 0 H HIS A 103 -26.974 -15.058 -12.290 1.00 11.33 H new ATOM 0 HA HIS A 103 -29.335 -16.653 -12.892 1.00 71.44 H new ATOM 0 HB2 HIS A 103 -29.319 -13.604 -12.965 1.00 31.54 H new ATOM 0 HB3 HIS A 103 -30.487 -14.576 -13.838 1.00 31.54 H new ATOM 0 HD2 HIS A 103 -32.270 -15.965 -12.461 1.00 3.23 H new ATOM 0 HE1 HIS A 103 -31.906 -14.042 -8.771 1.00 13.12 H new ATOM 0 HE2 HIS A 103 -33.315 -15.618 -10.177 1.00 64.34 H new ATOM 1713 N HIS A 104 -28.183 -16.856 -15.117 1.00 44.12 N ATOM 1714 CA HIS A 104 -27.653 -16.984 -16.488 1.00 4.44 C ATOM 1715 C HIS A 104 -26.125 -16.785 -16.539 1.00 13.24 C ATOM 1716 O HIS A 104 -25.568 -15.945 -15.832 1.00 15.14 O ATOM 1717 CB HIS A 104 -28.357 -15.983 -17.426 1.00 13.32 C ATOM 1718 CG HIS A 104 -27.870 -16.005 -18.846 1.00 51.11 C ATOM 1719 ND1 HIS A 104 -26.925 -15.126 -19.331 1.00 5.34 N ATOM 1720 CD2 HIS A 104 -28.214 -16.792 -19.892 1.00 63.30 C ATOM 1721 CE1 HIS A 104 -26.711 -15.371 -20.607 1.00 23.44 C ATOM 1722 NE2 HIS A 104 -27.479 -16.374 -20.975 1.00 11.20 N ATOM 0 H HIS A 104 -28.538 -17.729 -14.728 1.00 44.12 H new ATOM 0 HA HIS A 104 -27.859 -18.000 -16.826 1.00 4.44 H new ATOM 0 HB2 HIS A 104 -29.427 -16.191 -17.420 1.00 13.32 H new ATOM 0 HB3 HIS A 104 -28.225 -14.977 -17.027 1.00 13.32 H new ATOM 0 HD2 HIS A 104 -28.932 -17.598 -19.878 1.00 63.30 H new ATOM 0 HE1 HIS A 104 -26.021 -14.838 -21.244 1.00 23.44 H new ATOM 0 HE2 HIS A 104 -27.522 -16.776 -21.912 1.00 11.20 H new ATOM 1731 N HIS A 105 -25.445 -17.578 -17.363 1.00 4.30 N ATOM 1732 CA HIS A 105 -24.002 -17.404 -17.590 1.00 61.11 C ATOM 1733 C HIS A 105 -23.742 -16.441 -18.764 1.00 43.45 C ATOM 1734 O HIS A 105 -23.943 -16.850 -19.931 1.00 37.47 O ATOM 1735 CB HIS A 105 -23.320 -18.758 -17.852 1.00 4.21 C ATOM 1736 CG HIS A 105 -23.269 -19.650 -16.648 1.00 32.53 C ATOM 1737 ND1 HIS A 105 -22.467 -19.393 -15.557 1.00 31.53 N ATOM 1738 CD2 HIS A 105 -23.921 -20.802 -16.364 1.00 33.23 C ATOM 1739 CE1 HIS A 105 -22.624 -20.342 -14.659 1.00 34.41 C ATOM 1740 NE2 HIS A 105 -23.501 -21.210 -15.121 1.00 61.44 N ATOM 1741 OXT HIS A 105 -23.345 -15.281 -18.513 1.00 37.47 O ATOM 0 H HIS A 105 -25.863 -18.347 -17.886 1.00 4.30 H new ATOM 0 HA HIS A 105 -23.574 -16.971 -16.686 1.00 61.11 H new ATOM 0 HB2 HIS A 105 -23.851 -19.273 -18.653 1.00 4.21 H new ATOM 0 HB3 HIS A 105 -22.304 -18.581 -18.205 1.00 4.21 H new ATOM 0 HD2 HIS A 105 -24.637 -21.306 -16.996 1.00 33.23 H new ATOM 0 HE1 HIS A 105 -22.120 -20.400 -13.706 1.00 34.41 H new ATOM 0 HE2 HIS A 105 -23.817 -22.049 -14.635 1.00 61.44 H new TER 1750 HIS A 105