USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 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 110 HIS : no HE2:sc= 0.532 K(o=1.5,f=-5!) USER MOD Set 1.2: A 138 TYR OH : rot 20:sc= 0.942 USER MOD Set 2.1: A 90 THR OG1 : rot -117:sc= 0.912 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= -2.29! USER MOD Set 3.1: A 84 LYS NZ :NH3+ 164:sc= -0.528 (180deg=-1.04) USER MOD Set 3.2: A 101 THR OG1 : rot 85:sc= 1.22 USER MOD Set 4.1: A 76 TYR OH : rot -97:sc= -0.242 USER MOD Set 4.2: A 78 SER OG : rot 139:sc= -0.319 USER MOD Set 5.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 48 LYS NZ :NH3+ 142:sc= -4.28! (180deg=-7.82!) USER MOD Set 6.1: A 31 LYS NZ :NH3+ -163:sc= -0.335 (180deg=-0.063) USER MOD Set 6.2: A 32 MET CE :methyl -113:sc= -3.12! (180deg=-5.87!) USER MOD Set 7.1: A 21 ASN : amide:sc= -0.508 K(o=-0.72,f=-1.4) USER MOD Set 7.2: A 142 MET CE :methyl 169:sc= -0.209 (180deg=0) USER MOD Set 8.1: A 20 SER OG : rot -70:sc= 0.584 USER MOD Set 8.2: A 29 LYS NZ :NH3+ -173:sc= -1.26! (180deg=-1.61) USER MOD Set 8.3: A 111 MET CE :methyl -160:sc= -3.25 (180deg=-4.49!) USER MOD Set 9.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 9.2: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.355 (180deg=-1.5!) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0276 (180deg=-0.41) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.491 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= -5.53! (180deg=-5.8!) USER MOD Single : A 22 THR OG1 : rot -75:sc= -0.505 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0.687 (180deg=0.584) USER MOD Single : A 34 MET CE :methyl 146:sc= -1.62 (180deg=-6.92!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.405 USER MOD Single : A 51 TYR OH : rot 3:sc= 0.105 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -62:sc= -0.535 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 66:sc= -1.92! USER MOD Single : A 70 SER OG : rot -162:sc= 0.0211 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc=-0.00205 (180deg=-0.144) USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= -8.58! (180deg=-11.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 51:sc= 0.839 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.661 USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= -0.0049 (180deg=-0.184) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -154:sc= -0.28 (180deg=-0.8) USER MOD Single : A 115 TYR OH : rot -47:sc= -7.59! USER MOD Single : A 116 SER OG : rot -160:sc= 1.18 USER MOD Single : A 118 SER OG : rot 180:sc= -0.499 USER MOD Single : A 122 SER OG : rot 160:sc= -0.249 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 131 LYS NZ :NH3+ 158:sc= -0.199 (180deg=-1.07) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 THR OG1 : rot -142:sc= -2.24 USER MOD Single : A 145 MET CE :methyl -145:sc= -1.02 (180deg=-3.34!) USER MOD Single : A 149 GLN :FLIP amide:sc= -0.111 F(o=-1.9!,f=-0.11) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot -28:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.868 15.200 -20.704 1.00 0.00 N ATOM 2 CA MET A 1 7.782 16.187 -20.064 1.00 52.33 C ATOM 3 C MET A 1 7.046 17.508 -19.869 1.00 44.52 C ATOM 4 O MET A 1 6.655 17.854 -18.754 1.00 55.32 O ATOM 5 CB MET A 1 9.006 16.398 -20.957 1.00 35.04 C ATOM 6 CG MET A 1 9.804 15.097 -21.047 1.00 73.33 C ATOM 7 SD MET A 1 11.307 15.372 -22.019 1.00 53.23 S ATOM 8 CE MET A 1 12.127 16.510 -20.874 1.00 23.35 C ATOM 0 H1 MET A 1 7.242 14.240 -20.565 1.00 0.00 H new ATOM 0 H2 MET A 1 5.924 15.270 -20.273 1.00 0.00 H new ATOM 0 H3 MET A 1 6.799 15.400 -21.722 1.00 0.00 H new ATOM 0 HA MET A 1 8.107 15.812 -19.093 1.00 52.33 H new ATOM 0 HB2 MET A 1 8.693 16.714 -21.952 1.00 35.04 H new ATOM 0 HB3 MET A 1 9.632 17.193 -20.552 1.00 35.04 H new ATOM 0 HG2 MET A 1 10.064 14.748 -20.048 1.00 73.33 H new ATOM 0 HG3 MET A 1 9.198 14.318 -21.509 1.00 73.33 H new ATOM 0 HE1 MET A 1 13.207 16.390 -20.953 1.00 23.35 H new ATOM 0 HE2 MET A 1 11.857 17.536 -21.124 1.00 23.35 H new ATOM 0 HE3 MET A 1 11.811 16.290 -19.854 1.00 23.35 H new ATOM 20 N THR A 2 6.860 18.243 -20.961 1.00 5.44 N ATOM 21 CA THR A 2 6.167 19.526 -20.898 1.00 74.25 C ATOM 22 C THR A 2 4.680 19.319 -20.633 1.00 2.22 C ATOM 23 O THR A 2 3.848 19.521 -21.518 1.00 33.14 O ATOM 24 CB THR A 2 6.354 20.284 -22.214 1.00 43.41 C ATOM 25 OG1 THR A 2 7.719 20.228 -22.601 1.00 40.00 O ATOM 26 CG2 THR A 2 5.934 21.742 -22.028 1.00 70.41 C ATOM 0 H THR A 2 7.176 17.976 -21.893 1.00 5.44 H new ATOM 0 HA THR A 2 6.591 20.108 -20.080 1.00 74.25 H new ATOM 0 HB THR A 2 5.738 19.827 -22.988 1.00 43.41 H new ATOM 0 HG1 THR A 2 7.840 20.712 -23.445 1.00 40.00 H new ATOM 0 HG21 THR A 2 6.067 22.282 -22.966 1.00 70.41 H new ATOM 0 HG22 THR A 2 4.886 21.784 -21.731 1.00 70.41 H new ATOM 0 HG23 THR A 2 6.549 22.202 -21.254 1.00 70.41 H new ATOM 34 N VAL A 3 4.352 18.913 -19.409 1.00 12.05 N ATOM 35 CA VAL A 3 2.960 18.679 -19.029 1.00 41.13 C ATOM 36 C VAL A 3 2.710 19.158 -17.602 1.00 34.22 C ATOM 37 O VAL A 3 2.484 18.353 -16.697 1.00 63.01 O ATOM 38 CB VAL A 3 2.635 17.186 -19.134 1.00 21.23 C ATOM 39 CG1 VAL A 3 2.485 16.795 -20.606 1.00 52.02 C ATOM 40 CG2 VAL A 3 3.769 16.374 -18.506 1.00 4.54 C ATOM 0 H VAL A 3 5.028 18.739 -18.665 1.00 12.05 H new ATOM 0 HA VAL A 3 2.316 19.239 -19.707 1.00 41.13 H new ATOM 0 HB VAL A 3 1.703 16.981 -18.608 1.00 21.23 H new ATOM 0 HG11 VAL A 3 2.254 15.732 -20.678 1.00 52.02 H new ATOM 0 HG12 VAL A 3 1.678 17.373 -21.056 1.00 52.02 H new ATOM 0 HG13 VAL A 3 3.416 17.000 -21.134 1.00 52.02 H new ATOM 0 HG21 VAL A 3 3.539 15.311 -18.580 1.00 4.54 H new ATOM 0 HG22 VAL A 3 4.700 16.582 -19.033 1.00 4.54 H new ATOM 0 HG23 VAL A 3 3.876 16.650 -17.457 1.00 4.54 H new ATOM 50 N PRO A 4 2.747 20.446 -17.388 1.00 53.21 N ATOM 51 CA PRO A 4 2.522 21.049 -16.043 1.00 70.24 C ATOM 52 C PRO A 4 1.317 20.437 -15.332 1.00 24.43 C ATOM 53 O PRO A 4 0.169 20.743 -15.656 1.00 60.31 O ATOM 54 CB PRO A 4 2.291 22.531 -16.353 1.00 30.42 C ATOM 55 CG PRO A 4 3.049 22.783 -17.617 1.00 21.15 C ATOM 56 CD PRO A 4 3.011 21.473 -18.412 1.00 10.10 C ATOM 0 HA PRO A 4 3.358 20.877 -15.366 1.00 70.24 H new ATOM 0 HB2 PRO A 4 1.230 22.748 -16.479 1.00 30.42 H new ATOM 0 HB3 PRO A 4 2.652 23.165 -15.543 1.00 30.42 H new ATOM 0 HG2 PRO A 4 2.597 23.596 -18.186 1.00 21.15 H new ATOM 0 HG3 PRO A 4 4.076 23.077 -17.402 1.00 21.15 H new ATOM 0 HD2 PRO A 4 2.230 21.489 -19.172 1.00 10.10 H new ATOM 0 HD3 PRO A 4 3.954 21.291 -18.927 1.00 10.10 H new ATOM 64 N ASP A 5 1.587 19.570 -14.360 1.00 12.13 N ATOM 65 CA ASP A 5 0.518 18.921 -13.610 1.00 64.24 C ATOM 66 C ASP A 5 1.090 18.136 -12.435 1.00 74.15 C ATOM 67 O ASP A 5 0.725 18.371 -11.283 1.00 75.14 O ATOM 68 CB ASP A 5 -0.262 17.977 -14.526 1.00 44.42 C ATOM 69 CG ASP A 5 -1.528 17.495 -13.822 1.00 54.35 C ATOM 70 OD1 ASP A 5 -1.837 18.031 -12.771 1.00 23.10 O ATOM 71 OD2 ASP A 5 -2.167 16.597 -14.344 1.00 34.12 O ATOM 0 H ASP A 5 2.529 19.303 -14.075 1.00 12.13 H new ATOM 0 HA ASP A 5 -0.152 19.691 -13.226 1.00 64.24 H new ATOM 0 HB2 ASP A 5 -0.523 18.489 -15.452 1.00 44.42 H new ATOM 0 HB3 ASP A 5 0.360 17.124 -14.798 1.00 44.42 H new ATOM 76 N ARG A 6 1.985 17.200 -12.734 1.00 72.11 N ATOM 77 CA ARG A 6 2.600 16.383 -11.693 1.00 74.44 C ATOM 78 C ARG A 6 3.673 17.173 -10.949 1.00 63.31 C ATOM 79 O ARG A 6 3.735 17.151 -9.721 1.00 63.00 O ATOM 80 CB ARG A 6 3.222 15.128 -12.317 1.00 35.30 C ATOM 81 CG ARG A 6 3.987 14.323 -11.244 1.00 33.35 C ATOM 82 CD ARG A 6 5.496 14.564 -11.375 1.00 43.55 C ATOM 83 NE ARG A 6 5.947 14.227 -12.722 1.00 43.41 N ATOM 84 CZ ARG A 6 7.077 14.725 -13.214 1.00 65.30 C ATOM 85 NH1 ARG A 6 7.804 15.531 -12.491 1.00 62.40 N ATOM 86 NH2 ARG A 6 7.460 14.406 -14.420 1.00 53.32 N ATOM 0 H ARG A 6 2.299 16.989 -13.681 1.00 72.11 H new ATOM 0 HA ARG A 6 1.827 16.092 -10.982 1.00 74.44 H new ATOM 0 HB2 ARG A 6 2.442 14.508 -12.760 1.00 35.30 H new ATOM 0 HB3 ARG A 6 3.900 15.411 -13.122 1.00 35.30 H new ATOM 0 HG2 ARG A 6 3.650 14.616 -10.250 1.00 33.35 H new ATOM 0 HG3 ARG A 6 3.770 13.260 -11.353 1.00 33.35 H new ATOM 0 HD2 ARG A 6 5.725 15.607 -11.158 1.00 43.55 H new ATOM 0 HD3 ARG A 6 6.033 13.961 -10.643 1.00 43.55 H new ATOM 0 HE ARG A 6 5.385 13.598 -13.296 1.00 43.41 H new ATOM 0 HH11 ARG A 6 7.506 15.779 -11.548 1.00 62.40 H new ATOM 0 HH12 ARG A 6 8.671 15.913 -12.869 1.00 62.40 H new ATOM 0 HH21 ARG A 6 6.892 13.775 -14.985 1.00 53.32 H new ATOM 0 HH22 ARG A 6 8.327 14.788 -14.798 1.00 53.32 H new ATOM 100 N SER A 7 4.518 17.865 -11.705 1.00 2.24 N ATOM 101 CA SER A 7 5.592 18.658 -11.114 1.00 61.12 C ATOM 102 C SER A 7 5.039 19.646 -10.090 1.00 10.10 C ATOM 103 O SER A 7 5.707 19.983 -9.113 1.00 42.32 O ATOM 104 CB SER A 7 6.335 19.422 -12.209 1.00 32.41 C ATOM 105 OG SER A 7 5.488 20.440 -12.727 1.00 35.12 O ATOM 0 H SER A 7 4.482 17.894 -12.724 1.00 2.24 H new ATOM 0 HA SER A 7 6.279 17.980 -10.608 1.00 61.12 H new ATOM 0 HB2 SER A 7 7.248 19.862 -11.807 1.00 32.41 H new ATOM 0 HB3 SER A 7 6.634 18.741 -13.006 1.00 32.41 H new ATOM 0 HG SER A 7 5.961 20.934 -13.429 1.00 35.12 H new ATOM 111 N GLU A 8 3.821 20.117 -10.332 1.00 20.30 N ATOM 112 CA GLU A 8 3.189 21.080 -9.436 1.00 45.32 C ATOM 113 C GLU A 8 2.870 20.461 -8.076 1.00 21.01 C ATOM 114 O GLU A 8 3.131 21.068 -7.037 1.00 44.11 O ATOM 115 CB GLU A 8 1.898 21.608 -10.070 1.00 42.43 C ATOM 116 CG GLU A 8 2.240 22.549 -11.229 1.00 71.54 C ATOM 117 CD GLU A 8 2.920 21.772 -12.350 1.00 53.24 C ATOM 118 OE1 GLU A 8 2.673 20.581 -12.453 1.00 14.30 O ATOM 119 OE2 GLU A 8 3.678 22.377 -13.090 1.00 4.21 O ATOM 0 H GLU A 8 3.253 19.850 -11.136 1.00 20.30 H new ATOM 0 HA GLU A 8 3.892 21.899 -9.280 1.00 45.32 H new ATOM 0 HB2 GLU A 8 1.292 20.777 -10.430 1.00 42.43 H new ATOM 0 HB3 GLU A 8 1.304 22.135 -9.324 1.00 42.43 H new ATOM 0 HG2 GLU A 8 1.333 23.023 -11.603 1.00 71.54 H new ATOM 0 HG3 GLU A 8 2.895 23.347 -10.879 1.00 71.54 H new ATOM 126 N ILE A 9 2.291 19.262 -8.081 1.00 62.31 N ATOM 127 CA ILE A 9 1.928 18.594 -6.830 1.00 1.13 C ATOM 128 C ILE A 9 3.089 17.778 -6.282 1.00 11.35 C ATOM 129 O ILE A 9 3.187 17.550 -5.077 1.00 31.44 O ATOM 130 CB ILE A 9 0.712 17.679 -7.062 1.00 73.05 C ATOM 131 CG1 ILE A 9 -0.004 17.375 -5.710 1.00 1.41 C ATOM 132 CG2 ILE A 9 1.151 16.389 -7.776 1.00 51.20 C ATOM 133 CD1 ILE A 9 0.355 15.996 -5.169 1.00 53.30 C ATOM 0 H ILE A 9 2.065 18.737 -8.926 1.00 62.31 H new ATOM 0 HA ILE A 9 1.677 19.361 -6.097 1.00 1.13 H new ATOM 0 HB ILE A 9 -0.005 18.190 -7.705 1.00 73.05 H new ATOM 0 HG12 ILE A 9 0.269 18.134 -4.977 1.00 1.41 H new ATOM 0 HG13 ILE A 9 -1.083 17.440 -5.849 1.00 1.41 H new ATOM 0 HG21 ILE A 9 0.284 15.748 -7.936 1.00 51.20 H new ATOM 0 HG22 ILE A 9 1.599 16.640 -8.738 1.00 51.20 H new ATOM 0 HG23 ILE A 9 1.882 15.864 -7.161 1.00 51.20 H new ATOM 0 HD11 ILE A 9 -0.166 15.828 -4.227 1.00 53.30 H new ATOM 0 HD12 ILE A 9 0.058 15.234 -5.889 1.00 53.30 H new ATOM 0 HD13 ILE A 9 1.431 15.939 -5.004 1.00 53.30 H new ATOM 145 N ALA A 10 3.966 17.342 -7.173 1.00 43.10 N ATOM 146 CA ALA A 10 5.107 16.560 -6.739 1.00 44.45 C ATOM 147 C ALA A 10 5.966 17.423 -5.837 1.00 11.22 C ATOM 148 O ALA A 10 6.082 18.630 -6.052 1.00 11.32 O ATOM 149 CB ALA A 10 5.898 16.011 -7.928 1.00 15.11 C ATOM 0 H ALA A 10 3.911 17.512 -8.177 1.00 43.10 H new ATOM 0 HA ALA A 10 4.763 15.690 -6.181 1.00 44.45 H new ATOM 0 HB1 ALA A 10 6.746 15.430 -7.564 1.00 15.11 H new ATOM 0 HB2 ALA A 10 5.252 15.372 -8.531 1.00 15.11 H new ATOM 0 HB3 ALA A 10 6.260 16.839 -8.537 1.00 15.11 H new ATOM 155 N GLY A 11 6.530 16.820 -4.797 1.00 54.35 N ATOM 156 CA GLY A 11 7.334 17.558 -3.833 1.00 52.34 C ATOM 157 C GLY A 11 6.666 17.462 -2.463 1.00 55.14 C ATOM 158 O GLY A 11 7.334 17.466 -1.429 1.00 11.24 O ATOM 0 H GLY A 11 6.445 15.823 -4.601 1.00 54.35 H new ATOM 0 HA2 GLY A 11 8.343 17.149 -3.791 1.00 52.34 H new ATOM 0 HA3 GLY A 11 7.425 18.601 -4.137 1.00 52.34 H new ATOM 162 N LYS A 12 5.332 17.366 -2.475 1.00 23.01 N ATOM 163 CA LYS A 12 4.566 17.256 -1.236 1.00 25.33 C ATOM 164 C LYS A 12 3.141 16.748 -1.500 1.00 33.35 C ATOM 165 O LYS A 12 2.324 17.465 -2.077 1.00 43.24 O ATOM 166 CB LYS A 12 4.497 18.621 -0.549 1.00 2.33 C ATOM 167 CG LYS A 12 3.851 18.467 0.830 1.00 62.41 C ATOM 168 CD LYS A 12 4.016 19.766 1.623 1.00 64.30 C ATOM 169 CE LYS A 12 3.400 20.931 0.845 1.00 72.11 C ATOM 170 NZ LYS A 12 2.137 20.484 0.192 1.00 44.32 N ATOM 0 H LYS A 12 4.767 17.363 -3.324 1.00 23.01 H new ATOM 0 HA LYS A 12 5.072 16.537 -0.592 1.00 25.33 H new ATOM 0 HB2 LYS A 12 5.498 19.040 -0.448 1.00 2.33 H new ATOM 0 HB3 LYS A 12 3.919 19.317 -1.157 1.00 2.33 H new ATOM 0 HG2 LYS A 12 2.793 18.227 0.722 1.00 62.41 H new ATOM 0 HG3 LYS A 12 4.313 17.639 1.368 1.00 62.41 H new ATOM 0 HD2 LYS A 12 3.535 19.672 2.596 1.00 64.30 H new ATOM 0 HD3 LYS A 12 5.073 19.958 1.807 1.00 64.30 H new ATOM 0 HE2 LYS A 12 3.198 21.764 1.518 1.00 72.11 H new ATOM 0 HE3 LYS A 12 4.102 21.291 0.093 1.00 72.11 H new ATOM 0 HZ1 LYS A 12 1.642 21.307 -0.207 1.00 44.32 H new ATOM 0 HZ2 LYS A 12 2.359 19.811 -0.569 1.00 44.32 H new ATOM 0 HZ3 LYS A 12 1.527 20.021 0.896 1.00 44.32 H new ATOM 184 N TRP A 13 2.832 15.527 -1.045 1.00 53.04 N ATOM 185 CA TRP A 13 1.488 14.959 -1.203 1.00 41.52 C ATOM 186 C TRP A 13 0.903 14.755 0.189 1.00 32.11 C ATOM 187 O TRP A 13 1.560 14.180 1.051 1.00 53.41 O ATOM 188 CB TRP A 13 1.597 13.592 -1.902 1.00 4.21 C ATOM 189 CG TRP A 13 1.960 13.767 -3.314 1.00 1.13 C ATOM 190 CD1 TRP A 13 3.085 14.351 -3.761 1.00 12.11 C ATOM 191 CD2 TRP A 13 1.213 13.340 -4.481 1.00 14.55 C ATOM 192 NE1 TRP A 13 3.076 14.297 -5.133 1.00 73.23 N ATOM 193 CE2 TRP A 13 1.958 13.674 -5.615 1.00 75.23 C ATOM 194 CE3 TRP A 13 -0.020 12.690 -4.666 1.00 54.34 C ATOM 195 CZ2 TRP A 13 1.527 13.386 -6.888 1.00 33.50 C ATOM 196 CZ3 TRP A 13 -0.474 12.396 -5.964 1.00 52.24 C ATOM 197 CH2 TRP A 13 0.306 12.741 -7.077 1.00 21.02 C ATOM 0 H TRP A 13 3.493 14.915 -0.566 1.00 53.04 H new ATOM 0 HA TRP A 13 0.858 15.623 -1.796 1.00 41.52 H new ATOM 0 HB2 TRP A 13 2.346 12.979 -1.401 1.00 4.21 H new ATOM 0 HB3 TRP A 13 0.648 13.061 -1.827 1.00 4.21 H new ATOM 0 HD1 TRP A 13 3.860 14.787 -3.148 1.00 12.11 H new ATOM 0 HE1 TRP A 13 3.816 14.677 -5.723 1.00 73.23 H new ATOM 0 HE3 TRP A 13 -0.619 12.416 -3.810 1.00 54.34 H new ATOM 0 HZ2 TRP A 13 2.133 13.659 -7.739 1.00 33.50 H new ATOM 0 HZ3 TRP A 13 -1.425 11.904 -6.104 1.00 52.24 H new ATOM 0 HH2 TRP A 13 -0.037 12.508 -8.074 1.00 21.02 H new ATOM 208 N TYR A 14 -0.300 15.263 0.430 1.00 74.13 N ATOM 209 CA TYR A 14 -0.911 15.163 1.759 1.00 14.30 C ATOM 210 C TYR A 14 -2.006 14.092 1.814 1.00 42.23 C ATOM 211 O TYR A 14 -2.898 14.070 0.973 1.00 21.41 O ATOM 212 CB TYR A 14 -1.538 16.532 2.101 1.00 53.01 C ATOM 213 CG TYR A 14 -0.816 17.218 3.241 1.00 12.22 C ATOM 214 CD1 TYR A 14 0.579 17.313 3.244 1.00 74.31 C ATOM 215 CD2 TYR A 14 -1.558 17.779 4.289 1.00 43.30 C ATOM 216 CE1 TYR A 14 1.231 17.968 4.297 1.00 32.41 C ATOM 217 CE2 TYR A 14 -0.907 18.433 5.338 1.00 54.42 C ATOM 218 CZ TYR A 14 0.488 18.527 5.344 1.00 13.21 C ATOM 219 OH TYR A 14 1.133 19.173 6.380 1.00 23.02 O ATOM 0 H TYR A 14 -0.870 15.744 -0.266 1.00 74.13 H new ATOM 0 HA TYR A 14 -0.137 14.881 2.473 1.00 14.30 H new ATOM 0 HB2 TYR A 14 -1.514 17.172 1.219 1.00 53.01 H new ATOM 0 HB3 TYR A 14 -2.586 16.394 2.366 1.00 53.01 H new ATOM 0 HD1 TYR A 14 1.153 16.882 2.436 1.00 74.31 H new ATOM 0 HD2 TYR A 14 -2.636 17.706 4.286 1.00 43.30 H new ATOM 0 HE1 TYR A 14 2.308 18.042 4.301 1.00 32.41 H new ATOM 0 HE2 TYR A 14 -1.481 18.866 6.144 1.00 54.42 H new ATOM 0 HH TYR A 14 0.471 19.503 7.022 1.00 23.02 H new ATOM 229 N VAL A 15 -1.948 13.241 2.841 1.00 41.03 N ATOM 230 CA VAL A 15 -2.962 12.201 3.053 1.00 72.21 C ATOM 231 C VAL A 15 -3.815 12.625 4.249 1.00 0.23 C ATOM 232 O VAL A 15 -3.296 12.733 5.361 1.00 51.34 O ATOM 233 CB VAL A 15 -2.282 10.852 3.348 1.00 3.21 C ATOM 234 CG1 VAL A 15 -3.261 9.910 4.060 1.00 33.22 C ATOM 235 CG2 VAL A 15 -1.834 10.205 2.038 1.00 50.42 C ATOM 0 H VAL A 15 -1.207 13.251 3.542 1.00 41.03 H new ATOM 0 HA VAL A 15 -3.579 12.084 2.162 1.00 72.21 H new ATOM 0 HB VAL A 15 -1.419 11.029 3.989 1.00 3.21 H new ATOM 0 HG11 VAL A 15 -2.768 8.959 4.263 1.00 33.22 H new ATOM 0 HG12 VAL A 15 -3.582 10.361 4.999 1.00 33.22 H new ATOM 0 HG13 VAL A 15 -4.130 9.740 3.424 1.00 33.22 H new ATOM 0 HG21 VAL A 15 -1.353 9.250 2.250 1.00 50.42 H new ATOM 0 HG22 VAL A 15 -2.701 10.041 1.398 1.00 50.42 H new ATOM 0 HG23 VAL A 15 -1.128 10.862 1.530 1.00 50.42 H new ATOM 245 N VAL A 16 -5.105 12.909 4.029 1.00 62.33 N ATOM 246 CA VAL A 16 -5.960 13.370 5.133 1.00 72.41 C ATOM 247 C VAL A 16 -7.226 12.549 5.318 1.00 31.20 C ATOM 248 O VAL A 16 -8.098 12.933 6.098 1.00 13.12 O ATOM 249 CB VAL A 16 -6.338 14.832 4.921 1.00 21.42 C ATOM 250 CG1 VAL A 16 -5.116 15.607 4.401 1.00 3.33 C ATOM 251 CG2 VAL A 16 -7.487 14.938 3.909 1.00 54.51 C ATOM 0 H VAL A 16 -5.570 12.831 3.125 1.00 62.33 H new ATOM 0 HA VAL A 16 -5.370 13.246 6.041 1.00 72.41 H new ATOM 0 HB VAL A 16 -6.663 15.258 5.870 1.00 21.42 H new ATOM 0 HG11 VAL A 16 -5.386 16.652 4.249 1.00 3.33 H new ATOM 0 HG12 VAL A 16 -4.308 15.543 5.129 1.00 3.33 H new ATOM 0 HG13 VAL A 16 -4.787 15.176 3.455 1.00 3.33 H new ATOM 0 HG21 VAL A 16 -7.749 15.986 3.765 1.00 54.51 H new ATOM 0 HG22 VAL A 16 -7.175 14.508 2.957 1.00 54.51 H new ATOM 0 HG23 VAL A 16 -8.354 14.395 4.285 1.00 54.51 H new ATOM 261 N ALA A 17 -7.315 11.403 4.681 1.00 34.34 N ATOM 262 CA ALA A 17 -8.481 10.560 4.903 1.00 60.14 C ATOM 263 C ALA A 17 -8.342 9.260 4.140 1.00 60.40 C ATOM 264 O ALA A 17 -7.910 9.254 2.991 1.00 31.13 O ATOM 265 CB ALA A 17 -9.745 11.313 4.454 1.00 12.25 C ATOM 0 H ALA A 17 -6.624 11.037 4.026 1.00 34.34 H new ATOM 0 HA ALA A 17 -8.561 10.325 5.964 1.00 60.14 H new ATOM 0 HB1 ALA A 17 -10.620 10.685 4.619 1.00 12.25 H new ATOM 0 HB2 ALA A 17 -9.845 12.233 5.030 1.00 12.25 H new ATOM 0 HB3 ALA A 17 -9.667 11.556 3.394 1.00 12.25 H new ATOM 271 N LEU A 18 -8.659 8.147 4.799 1.00 51.42 N ATOM 272 CA LEU A 18 -8.511 6.837 4.182 1.00 23.54 C ATOM 273 C LEU A 18 -9.767 5.991 4.337 1.00 60.12 C ATOM 274 O LEU A 18 -10.697 6.343 5.061 1.00 33.43 O ATOM 275 CB LEU A 18 -7.308 6.102 4.792 1.00 74.34 C ATOM 276 CG LEU A 18 -7.209 6.379 6.302 1.00 63.33 C ATOM 277 CD1 LEU A 18 -6.785 7.839 6.572 1.00 72.33 C ATOM 278 CD2 LEU A 18 -8.559 6.088 6.976 1.00 63.20 C ATOM 0 H LEU A 18 -9.017 8.129 5.754 1.00 51.42 H new ATOM 0 HA LEU A 18 -8.345 6.992 3.116 1.00 23.54 H new ATOM 0 HB2 LEU A 18 -7.405 5.030 4.620 1.00 74.34 H new ATOM 0 HB3 LEU A 18 -6.391 6.423 4.298 1.00 74.34 H new ATOM 0 HG LEU A 18 -6.447 5.722 6.722 1.00 63.33 H new ATOM 0 HD11 LEU A 18 -6.723 8.007 7.647 1.00 72.33 H new ATOM 0 HD12 LEU A 18 -5.811 8.025 6.119 1.00 72.33 H new ATOM 0 HD13 LEU A 18 -7.521 8.517 6.141 1.00 72.33 H new ATOM 0 HD21 LEU A 18 -8.482 6.286 8.045 1.00 63.20 H new ATOM 0 HD22 LEU A 18 -9.327 6.728 6.543 1.00 63.20 H new ATOM 0 HD23 LEU A 18 -8.826 5.043 6.819 1.00 63.20 H new ATOM 290 N ALA A 19 -9.763 4.856 3.649 1.00 2.54 N ATOM 291 CA ALA A 19 -10.877 3.919 3.699 1.00 10.24 C ATOM 292 C ALA A 19 -10.337 2.492 3.680 1.00 23.52 C ATOM 293 O ALA A 19 -9.377 2.194 2.972 1.00 62.10 O ATOM 294 CB ALA A 19 -11.811 4.152 2.505 1.00 30.45 C ATOM 0 H ALA A 19 -8.995 4.561 3.046 1.00 2.54 H new ATOM 0 HA ALA A 19 -11.444 4.075 4.617 1.00 10.24 H new ATOM 0 HB1 ALA A 19 -12.641 3.447 2.550 1.00 30.45 H new ATOM 0 HB2 ALA A 19 -12.197 5.171 2.539 1.00 30.45 H new ATOM 0 HB3 ALA A 19 -11.259 4.004 1.577 1.00 30.45 H new ATOM 300 N SER A 20 -10.948 1.620 4.468 1.00 42.23 N ATOM 301 CA SER A 20 -10.504 0.234 4.536 1.00 35.53 C ATOM 302 C SER A 20 -11.527 -0.626 5.252 1.00 31.33 C ATOM 303 O SER A 20 -12.560 -0.138 5.711 1.00 5.13 O ATOM 304 CB SER A 20 -9.163 0.151 5.266 1.00 13.14 C ATOM 305 OG SER A 20 -9.215 0.958 6.436 1.00 70.33 O ATOM 0 H SER A 20 -11.745 1.843 5.064 1.00 42.23 H new ATOM 0 HA SER A 20 -10.388 -0.138 3.518 1.00 35.53 H new ATOM 0 HB2 SER A 20 -8.944 -0.883 5.533 1.00 13.14 H new ATOM 0 HB3 SER A 20 -8.359 0.489 4.613 1.00 13.14 H new ATOM 0 HG SER A 20 -9.233 1.904 6.180 1.00 70.33 H new ATOM 311 N ASN A 21 -11.221 -1.910 5.349 1.00 11.21 N ATOM 312 CA ASN A 21 -12.103 -2.857 6.020 1.00 44.23 C ATOM 313 C ASN A 21 -11.298 -3.753 6.955 1.00 1.34 C ATOM 314 O ASN A 21 -11.856 -4.392 7.846 1.00 4.14 O ATOM 315 CB ASN A 21 -12.835 -3.715 4.991 1.00 51.14 C ATOM 316 CG ASN A 21 -14.038 -4.397 5.633 1.00 72.55 C ATOM 317 OD1 ASN A 21 -15.179 -4.118 5.266 1.00 62.11 O ATOM 318 ND2 ASN A 21 -13.850 -5.278 6.577 1.00 13.24 N ATOM 0 H ASN A 21 -10.368 -2.323 4.972 1.00 11.21 H new ATOM 0 HA ASN A 21 -12.834 -2.297 6.603 1.00 44.23 H new ATOM 0 HB2 ASN A 21 -13.162 -3.095 4.156 1.00 51.14 H new ATOM 0 HB3 ASN A 21 -12.157 -4.465 4.584 1.00 51.14 H new ATOM 0 HD21 ASN A 21 -14.650 -5.737 7.013 1.00 13.24 H new ATOM 0 HD22 ASN A 21 -12.903 -5.507 6.879 1.00 13.24 H new ATOM 325 N THR A 22 -9.976 -3.775 6.770 1.00 43.11 N ATOM 326 CA THR A 22 -9.125 -4.576 7.635 1.00 32.01 C ATOM 327 C THR A 22 -8.980 -3.842 8.958 1.00 3.33 C ATOM 328 O THR A 22 -8.385 -2.767 9.024 1.00 0.11 O ATOM 329 CB THR A 22 -7.758 -4.812 6.985 1.00 31.34 C ATOM 330 OG1 THR A 22 -6.988 -5.666 7.820 1.00 44.33 O ATOM 331 CG2 THR A 22 -7.022 -3.485 6.798 1.00 72.41 C ATOM 0 H THR A 22 -9.484 -3.256 6.042 1.00 43.11 H new ATOM 0 HA THR A 22 -9.573 -5.556 7.801 1.00 32.01 H new ATOM 0 HB THR A 22 -7.902 -5.274 6.008 1.00 31.34 H new ATOM 0 HG1 THR A 22 -6.669 -5.162 8.597 1.00 44.33 H new ATOM 0 HG21 THR A 22 -6.052 -3.669 6.335 1.00 72.41 H new ATOM 0 HG22 THR A 22 -7.611 -2.829 6.157 1.00 72.41 H new ATOM 0 HG23 THR A 22 -6.877 -3.010 7.768 1.00 72.41 H new ATOM 339 N GLU A 23 -9.579 -4.402 9.996 1.00 2.14 N ATOM 340 CA GLU A 23 -9.570 -3.768 11.305 1.00 3.35 C ATOM 341 C GLU A 23 -8.176 -3.410 11.783 1.00 3.02 C ATOM 342 O GLU A 23 -7.983 -2.355 12.375 1.00 70.02 O ATOM 343 CB GLU A 23 -10.247 -4.676 12.332 1.00 0.31 C ATOM 344 CG GLU A 23 -11.702 -4.917 11.924 1.00 73.34 C ATOM 345 CD GLU A 23 -12.495 -3.618 12.025 1.00 53.24 C ATOM 346 OE1 GLU A 23 -12.007 -2.698 12.659 1.00 45.50 O ATOM 347 OE2 GLU A 23 -13.579 -3.564 11.466 1.00 14.20 O ATOM 0 H GLU A 23 -10.076 -5.292 9.959 1.00 2.14 H new ATOM 0 HA GLU A 23 -10.123 -2.834 11.203 1.00 3.35 H new ATOM 0 HB2 GLU A 23 -9.716 -5.625 12.399 1.00 0.31 H new ATOM 0 HB3 GLU A 23 -10.207 -4.218 13.320 1.00 0.31 H new ATOM 0 HG2 GLU A 23 -11.744 -5.300 10.904 1.00 73.34 H new ATOM 0 HG3 GLU A 23 -12.148 -5.676 12.567 1.00 73.34 H new ATOM 354 N PHE A 24 -7.213 -4.274 11.550 1.00 41.22 N ATOM 355 CA PHE A 24 -5.864 -3.992 12.013 1.00 22.23 C ATOM 356 C PHE A 24 -5.424 -2.587 11.594 1.00 35.01 C ATOM 357 O PHE A 24 -5.011 -1.782 12.432 1.00 51.53 O ATOM 358 CB PHE A 24 -4.884 -5.038 11.446 1.00 70.30 C ATOM 359 CG PHE A 24 -5.636 -6.304 11.096 1.00 23.03 C ATOM 360 CD1 PHE A 24 -6.572 -6.833 11.990 1.00 4.25 C ATOM 361 CD2 PHE A 24 -5.396 -6.944 9.873 1.00 14.33 C ATOM 362 CE1 PHE A 24 -7.270 -8.001 11.663 1.00 11.11 C ATOM 363 CE2 PHE A 24 -6.093 -8.112 9.547 1.00 14.24 C ATOM 364 CZ PHE A 24 -7.030 -8.641 10.441 1.00 5.12 C ATOM 0 H PHE A 24 -7.329 -5.158 11.055 1.00 41.22 H new ATOM 0 HA PHE A 24 -5.859 -4.043 13.102 1.00 22.23 H new ATOM 0 HB2 PHE A 24 -4.387 -4.642 10.560 1.00 70.30 H new ATOM 0 HB3 PHE A 24 -4.106 -5.256 12.178 1.00 70.30 H new ATOM 0 HD1 PHE A 24 -6.756 -6.340 12.933 1.00 4.25 H new ATOM 0 HD2 PHE A 24 -4.673 -6.536 9.182 1.00 14.33 H new ATOM 0 HE1 PHE A 24 -7.994 -8.409 12.353 1.00 11.11 H new ATOM 0 HE2 PHE A 24 -5.908 -8.606 8.605 1.00 14.24 H new ATOM 0 HZ PHE A 24 -7.568 -9.543 10.189 1.00 5.12 H new ATOM 374 N PHE A 25 -5.496 -2.304 10.300 1.00 0.32 N ATOM 375 CA PHE A 25 -5.077 -0.997 9.781 1.00 54.32 C ATOM 376 C PHE A 25 -6.114 0.090 10.048 1.00 63.11 C ATOM 377 O PHE A 25 -5.773 1.193 10.474 1.00 71.03 O ATOM 378 CB PHE A 25 -4.794 -1.106 8.278 1.00 52.15 C ATOM 379 CG PHE A 25 -3.957 -2.346 7.972 1.00 13.41 C ATOM 380 CD1 PHE A 25 -3.200 -2.995 8.974 1.00 62.14 C ATOM 381 CD2 PHE A 25 -3.945 -2.855 6.667 1.00 41.51 C ATOM 382 CE1 PHE A 25 -2.449 -4.133 8.659 1.00 52.35 C ATOM 383 CE2 PHE A 25 -3.191 -3.996 6.361 1.00 62.22 C ATOM 384 CZ PHE A 25 -2.444 -4.633 7.355 1.00 40.32 C ATOM 0 H PHE A 25 -5.837 -2.953 9.591 1.00 0.32 H new ATOM 0 HA PHE A 25 -4.168 -0.706 10.307 1.00 54.32 H new ATOM 0 HB2 PHE A 25 -5.734 -1.152 7.729 1.00 52.15 H new ATOM 0 HB3 PHE A 25 -4.269 -0.214 7.937 1.00 52.15 H new ATOM 0 HD1 PHE A 25 -3.201 -2.612 9.984 1.00 62.14 H new ATOM 0 HD2 PHE A 25 -4.519 -2.366 5.894 1.00 41.51 H new ATOM 0 HE1 PHE A 25 -1.871 -4.626 9.427 1.00 52.35 H new ATOM 0 HE2 PHE A 25 -3.187 -4.384 5.353 1.00 62.22 H new ATOM 0 HZ PHE A 25 -1.863 -5.511 7.115 1.00 40.32 H new ATOM 394 N LEU A 26 -7.374 -0.237 9.813 1.00 21.02 N ATOM 395 CA LEU A 26 -8.463 0.705 10.040 1.00 63.53 C ATOM 396 C LEU A 26 -8.477 1.107 11.515 1.00 11.03 C ATOM 397 O LEU A 26 -8.785 2.247 11.879 1.00 61.20 O ATOM 398 CB LEU A 26 -9.771 0.021 9.635 1.00 52.22 C ATOM 399 CG LEU A 26 -10.986 0.856 10.033 1.00 62.41 C ATOM 400 CD1 LEU A 26 -10.883 2.254 9.415 1.00 73.21 C ATOM 401 CD2 LEU A 26 -12.243 0.151 9.511 1.00 44.03 C ATOM 0 H LEU A 26 -7.671 -1.149 9.465 1.00 21.02 H new ATOM 0 HA LEU A 26 -8.336 1.610 9.446 1.00 63.53 H new ATOM 0 HB2 LEU A 26 -9.778 -0.143 8.557 1.00 52.22 H new ATOM 0 HB3 LEU A 26 -9.832 -0.959 10.107 1.00 52.22 H new ATOM 0 HG LEU A 26 -11.032 0.958 11.117 1.00 62.41 H new ATOM 0 HD11 LEU A 26 -11.753 2.844 9.703 1.00 73.21 H new ATOM 0 HD12 LEU A 26 -9.977 2.744 9.773 1.00 73.21 H new ATOM 0 HD13 LEU A 26 -10.845 2.170 8.329 1.00 73.21 H new ATOM 0 HD21 LEU A 26 -13.125 0.730 9.784 1.00 44.03 H new ATOM 0 HD22 LEU A 26 -12.187 0.064 8.426 1.00 44.03 H new ATOM 0 HD23 LEU A 26 -12.312 -0.844 9.951 1.00 44.03 H new ATOM 413 N ARG A 27 -8.088 0.145 12.337 1.00 34.31 N ATOM 414 CA ARG A 27 -8.006 0.366 13.774 1.00 64.24 C ATOM 415 C ARG A 27 -6.980 1.458 14.061 1.00 42.00 C ATOM 416 O ARG A 27 -7.217 2.346 14.880 1.00 31.12 O ATOM 417 CB ARG A 27 -7.611 -0.922 14.510 1.00 2.41 C ATOM 418 CG ARG A 27 -7.302 -0.607 15.977 1.00 70.22 C ATOM 419 CD ARG A 27 -7.253 -1.908 16.778 1.00 70.01 C ATOM 420 NE ARG A 27 -6.711 -1.661 18.109 1.00 72.51 N ATOM 421 CZ ARG A 27 -5.400 -1.571 18.313 1.00 34.33 C ATOM 422 NH1 ARG A 27 -4.575 -1.706 17.311 1.00 31.40 N ATOM 423 NH2 ARG A 27 -4.940 -1.349 19.513 1.00 3.13 N ATOM 0 H ARG A 27 -7.825 -0.793 12.036 1.00 34.31 H new ATOM 0 HA ARG A 27 -8.988 0.675 14.133 1.00 64.24 H new ATOM 0 HB2 ARG A 27 -8.420 -1.650 14.447 1.00 2.41 H new ATOM 0 HB3 ARG A 27 -6.740 -1.371 14.034 1.00 2.41 H new ATOM 0 HG2 ARG A 27 -6.349 -0.083 16.055 1.00 70.22 H new ATOM 0 HG3 ARG A 27 -8.064 0.056 16.386 1.00 70.22 H new ATOM 0 HD2 ARG A 27 -8.254 -2.332 16.858 1.00 70.01 H new ATOM 0 HD3 ARG A 27 -6.637 -2.641 16.257 1.00 70.01 H new ATOM 0 HE ARG A 27 -7.349 -1.555 18.898 1.00 72.51 H new ATOM 0 HH11 ARG A 27 -4.936 -1.880 16.373 1.00 31.40 H new ATOM 0 HH12 ARG A 27 -3.569 -1.637 17.466 1.00 31.40 H new ATOM 0 HH21 ARG A 27 -5.586 -1.244 20.295 1.00 3.13 H new ATOM 0 HH22 ARG A 27 -3.934 -1.280 19.669 1.00 3.13 H new ATOM 437 N GLU A 28 -5.824 1.363 13.406 1.00 5.50 N ATOM 438 CA GLU A 28 -4.753 2.329 13.629 1.00 33.24 C ATOM 439 C GLU A 28 -4.925 3.626 12.828 1.00 71.42 C ATOM 440 O GLU A 28 -4.694 4.715 13.359 1.00 32.40 O ATOM 441 CB GLU A 28 -3.411 1.693 13.265 1.00 23.30 C ATOM 442 CG GLU A 28 -3.117 0.536 14.222 1.00 55.42 C ATOM 443 CD GLU A 28 -1.752 -0.068 13.907 1.00 64.12 C ATOM 444 OE1 GLU A 28 -1.188 0.293 12.888 1.00 61.43 O ATOM 445 OE2 GLU A 28 -1.292 -0.882 14.690 1.00 2.21 O ATOM 0 H GLU A 28 -5.608 0.636 12.725 1.00 5.50 H new ATOM 0 HA GLU A 28 -4.790 2.598 14.685 1.00 33.24 H new ATOM 0 HB2 GLU A 28 -3.435 1.331 12.237 1.00 23.30 H new ATOM 0 HB3 GLU A 28 -2.617 2.437 13.323 1.00 23.30 H new ATOM 0 HG2 GLU A 28 -3.138 0.891 15.252 1.00 55.42 H new ATOM 0 HG3 GLU A 28 -3.891 -0.227 14.132 1.00 55.42 H new ATOM 452 N LYS A 29 -5.320 3.560 11.560 1.00 54.40 N ATOM 453 CA LYS A 29 -5.460 4.788 10.798 1.00 72.22 C ATOM 454 C LYS A 29 -6.290 5.787 11.583 1.00 72.23 C ATOM 455 O LYS A 29 -6.088 6.997 11.492 1.00 31.44 O ATOM 456 CB LYS A 29 -6.099 4.488 9.435 1.00 44.31 C ATOM 457 CG LYS A 29 -5.043 3.845 8.494 1.00 41.12 C ATOM 458 CD LYS A 29 -5.618 2.621 7.752 1.00 62.35 C ATOM 459 CE LYS A 29 -6.387 3.061 6.505 1.00 13.32 C ATOM 460 NZ LYS A 29 -6.761 1.859 5.709 1.00 1.14 N ATOM 0 H LYS A 29 -5.541 2.701 11.056 1.00 54.40 H new ATOM 0 HA LYS A 29 -4.476 5.223 10.623 1.00 72.22 H new ATOM 0 HB2 LYS A 29 -6.947 3.815 9.560 1.00 44.31 H new ATOM 0 HB3 LYS A 29 -6.484 5.407 8.992 1.00 44.31 H new ATOM 0 HG2 LYS A 29 -4.702 4.584 7.769 1.00 41.12 H new ATOM 0 HG3 LYS A 29 -4.172 3.543 9.075 1.00 41.12 H new ATOM 0 HD2 LYS A 29 -4.809 1.948 7.469 1.00 62.35 H new ATOM 0 HD3 LYS A 29 -6.279 2.064 8.416 1.00 62.35 H new ATOM 0 HE2 LYS A 29 -7.281 3.615 6.791 1.00 13.32 H new ATOM 0 HE3 LYS A 29 -5.775 3.733 5.904 1.00 13.32 H new ATOM 0 HZ1 LYS A 29 -7.178 2.158 4.804 1.00 1.14 H new ATOM 0 HZ2 LYS A 29 -5.913 1.286 5.527 1.00 1.14 H new ATOM 0 HZ3 LYS A 29 -7.454 1.293 6.240 1.00 1.14 H new ATOM 474 N ASP A 30 -7.231 5.264 12.345 1.00 33.00 N ATOM 475 CA ASP A 30 -8.107 6.102 13.144 1.00 41.25 C ATOM 476 C ASP A 30 -7.332 6.919 14.185 1.00 2.31 C ATOM 477 O ASP A 30 -7.823 7.955 14.633 1.00 35.44 O ATOM 478 CB ASP A 30 -9.143 5.232 13.857 1.00 52.12 C ATOM 479 CG ASP A 30 -9.994 4.490 12.833 1.00 24.34 C ATOM 480 OD1 ASP A 30 -9.821 4.743 11.652 1.00 61.04 O ATOM 481 OD2 ASP A 30 -10.805 3.677 13.244 1.00 72.24 O ATOM 0 H ASP A 30 -7.409 4.263 12.428 1.00 33.00 H new ATOM 0 HA ASP A 30 -8.598 6.801 12.467 1.00 41.25 H new ATOM 0 HB2 ASP A 30 -8.642 4.518 14.511 1.00 52.12 H new ATOM 0 HB3 ASP A 30 -9.778 5.853 14.489 1.00 52.12 H new ATOM 486 N LYS A 31 -6.145 6.447 14.610 1.00 31.25 N ATOM 487 CA LYS A 31 -5.393 7.177 15.645 1.00 54.12 C ATOM 488 C LYS A 31 -4.303 8.105 15.104 1.00 54.22 C ATOM 489 O LYS A 31 -3.860 8.995 15.831 1.00 3.21 O ATOM 490 CB LYS A 31 -4.811 6.210 16.698 1.00 62.31 C ATOM 491 CG LYS A 31 -3.607 5.423 16.151 1.00 23.21 C ATOM 492 CD LYS A 31 -2.297 6.251 16.243 1.00 52.31 C ATOM 493 CE LYS A 31 -1.611 6.330 14.867 1.00 1.21 C ATOM 494 NZ LYS A 31 -0.703 5.159 14.706 1.00 41.14 N ATOM 0 H LYS A 31 -5.700 5.596 14.268 1.00 31.25 H new ATOM 0 HA LYS A 31 -6.126 7.830 16.119 1.00 54.12 H new ATOM 0 HB2 LYS A 31 -4.506 6.774 17.579 1.00 62.31 H new ATOM 0 HB3 LYS A 31 -5.585 5.513 17.018 1.00 62.31 H new ATOM 0 HG2 LYS A 31 -3.492 4.495 16.712 1.00 23.21 H new ATOM 0 HG3 LYS A 31 -3.792 5.147 15.113 1.00 23.21 H new ATOM 0 HD2 LYS A 31 -2.519 7.255 16.603 1.00 52.31 H new ATOM 0 HD3 LYS A 31 -1.622 5.795 16.967 1.00 52.31 H new ATOM 0 HE2 LYS A 31 -2.359 6.338 14.074 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -1.046 7.258 14.781 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -0.033 5.343 13.932 1.00 41.14 H new ATOM 0 HZ2 LYS A 31 -0.177 5.003 15.590 1.00 41.14 H new ATOM 0 HZ3 LYS A 31 -1.264 4.312 14.483 1.00 41.14 H new ATOM 508 N MET A 32 -3.850 7.939 13.862 1.00 3.13 N ATOM 509 CA MET A 32 -2.799 8.838 13.359 1.00 21.14 C ATOM 510 C MET A 32 -3.367 10.186 12.949 1.00 15.43 C ATOM 511 O MET A 32 -4.578 10.399 12.929 1.00 32.15 O ATOM 512 CB MET A 32 -2.016 8.240 12.164 1.00 15.31 C ATOM 513 CG MET A 32 -2.946 7.498 11.190 1.00 0.23 C ATOM 514 SD MET A 32 -2.016 6.182 10.362 1.00 61.54 S ATOM 515 CE MET A 32 -1.965 5.027 11.753 1.00 4.52 C ATOM 0 H MET A 32 -4.172 7.226 13.207 1.00 3.13 H new ATOM 0 HA MET A 32 -2.107 8.968 14.191 1.00 21.14 H new ATOM 0 HB2 MET A 32 -1.495 9.038 11.634 1.00 15.31 H new ATOM 0 HB3 MET A 32 -1.255 7.554 12.534 1.00 15.31 H new ATOM 0 HG2 MET A 32 -3.794 7.076 11.729 1.00 0.23 H new ATOM 0 HG3 MET A 32 -3.350 8.193 10.454 1.00 0.23 H new ATOM 0 HE1 MET A 32 -0.938 4.922 12.101 1.00 4.52 H new ATOM 0 HE2 MET A 32 -2.586 5.407 12.564 1.00 4.52 H new ATOM 0 HE3 MET A 32 -2.340 4.055 11.433 1.00 4.52 H new ATOM 525 N LYS A 33 -2.452 11.086 12.615 1.00 23.10 N ATOM 526 CA LYS A 33 -2.793 12.433 12.177 1.00 64.13 C ATOM 527 C LYS A 33 -2.454 12.558 10.690 1.00 15.40 C ATOM 528 O LYS A 33 -1.930 11.615 10.099 1.00 72.35 O ATOM 529 CB LYS A 33 -1.994 13.464 12.983 1.00 2.42 C ATOM 530 CG LYS A 33 -1.914 13.031 14.450 1.00 12.41 C ATOM 531 CD LYS A 33 -3.324 12.937 15.041 1.00 21.25 C ATOM 532 CE LYS A 33 -3.231 12.776 16.559 1.00 3.31 C ATOM 533 NZ LYS A 33 -2.612 11.459 16.882 1.00 43.44 N ATOM 0 H LYS A 33 -1.449 10.902 12.640 1.00 23.10 H new ATOM 0 HA LYS A 33 -3.855 12.618 12.335 1.00 64.13 H new ATOM 0 HB2 LYS A 33 -0.991 13.564 12.569 1.00 2.42 H new ATOM 0 HB3 LYS A 33 -2.468 14.443 12.909 1.00 2.42 H new ATOM 0 HG2 LYS A 33 -1.412 12.066 14.527 1.00 12.41 H new ATOM 0 HG3 LYS A 33 -1.319 13.746 15.018 1.00 12.41 H new ATOM 0 HD2 LYS A 33 -3.894 13.833 14.794 1.00 21.25 H new ATOM 0 HD3 LYS A 33 -3.856 12.091 14.607 1.00 21.25 H new ATOM 0 HE2 LYS A 33 -2.636 13.584 16.985 1.00 3.31 H new ATOM 0 HE3 LYS A 33 -4.224 12.842 17.004 1.00 3.31 H new ATOM 0 HZ1 LYS A 33 -2.671 11.289 17.906 1.00 43.44 H new ATOM 0 HZ2 LYS A 33 -3.118 10.704 16.376 1.00 43.44 H new ATOM 0 HZ3 LYS A 33 -1.614 11.463 16.589 1.00 43.44 H new ATOM 547 N MET A 34 -2.743 13.697 10.072 1.00 63.34 N ATOM 548 CA MET A 34 -2.471 13.880 8.658 1.00 60.14 C ATOM 549 C MET A 34 -1.026 13.496 8.324 1.00 3.33 C ATOM 550 O MET A 34 -0.105 13.752 9.100 1.00 50.40 O ATOM 551 CB MET A 34 -2.668 15.380 8.368 1.00 71.44 C ATOM 552 CG MET A 34 -3.280 15.594 6.998 1.00 52.31 C ATOM 553 SD MET A 34 -3.577 17.365 6.757 1.00 32.54 S ATOM 554 CE MET A 34 -5.225 17.440 7.504 1.00 61.01 C ATOM 0 H MET A 34 -3.165 14.505 10.530 1.00 63.34 H new ATOM 0 HA MET A 34 -3.132 13.252 8.060 1.00 60.14 H new ATOM 0 HB2 MET A 34 -3.311 15.820 9.130 1.00 71.44 H new ATOM 0 HB3 MET A 34 -1.709 15.894 8.426 1.00 71.44 H new ATOM 0 HG2 MET A 34 -2.613 15.215 6.224 1.00 52.31 H new ATOM 0 HG3 MET A 34 -4.215 15.040 6.912 1.00 52.31 H new ATOM 0 HE1 MET A 34 -5.355 18.400 8.004 1.00 61.01 H new ATOM 0 HE2 MET A 34 -5.982 17.330 6.727 1.00 61.01 H new ATOM 0 HE3 MET A 34 -5.332 16.635 8.231 1.00 61.01 H new ATOM 564 N ALA A 35 -0.846 12.862 7.159 1.00 31.44 N ATOM 565 CA ALA A 35 0.476 12.419 6.711 1.00 13.12 C ATOM 566 C ALA A 35 0.888 13.152 5.438 1.00 2.12 C ATOM 567 O ALA A 35 0.057 13.774 4.775 1.00 15.31 O ATOM 568 CB ALA A 35 0.460 10.907 6.466 1.00 24.32 C ATOM 0 H ALA A 35 -1.602 12.645 6.510 1.00 31.44 H new ATOM 0 HA ALA A 35 1.203 12.650 7.489 1.00 13.12 H new ATOM 0 HB1 ALA A 35 1.446 10.582 6.133 1.00 24.32 H new ATOM 0 HB2 ALA A 35 0.201 10.391 7.391 1.00 24.32 H new ATOM 0 HB3 ALA A 35 -0.278 10.670 5.700 1.00 24.32 H new ATOM 574 N MET A 36 2.180 13.086 5.108 1.00 54.54 N ATOM 575 CA MET A 36 2.694 13.762 3.915 1.00 11.34 C ATOM 576 C MET A 36 3.596 12.831 3.099 1.00 63.31 C ATOM 577 O MET A 36 4.050 11.798 3.589 1.00 74.32 O ATOM 578 CB MET A 36 3.471 15.037 4.304 1.00 15.23 C ATOM 579 CG MET A 36 3.577 15.167 5.830 1.00 64.12 C ATOM 580 SD MET A 36 1.974 15.666 6.507 1.00 62.31 S ATOM 581 CE MET A 36 2.607 16.596 7.925 1.00 14.11 C ATOM 0 H MET A 36 2.883 12.577 5.644 1.00 54.54 H new ATOM 0 HA MET A 36 1.839 14.042 3.299 1.00 11.34 H new ATOM 0 HB2 MET A 36 4.469 15.008 3.867 1.00 15.23 H new ATOM 0 HB3 MET A 36 2.969 15.913 3.894 1.00 15.23 H new ATOM 0 HG2 MET A 36 3.888 14.217 6.266 1.00 64.12 H new ATOM 0 HG3 MET A 36 4.338 15.902 6.091 1.00 64.12 H new ATOM 0 HE1 MET A 36 1.772 17.002 8.496 1.00 14.11 H new ATOM 0 HE2 MET A 36 3.194 15.934 8.562 1.00 14.11 H new ATOM 0 HE3 MET A 36 3.237 17.413 7.573 1.00 14.11 H new ATOM 591 N ALA A 37 3.835 13.209 1.842 1.00 13.23 N ATOM 592 CA ALA A 37 4.673 12.399 0.956 1.00 53.14 C ATOM 593 C ALA A 37 5.241 13.219 -0.212 1.00 0.13 C ATOM 594 O ALA A 37 4.743 14.287 -0.530 1.00 62.44 O ATOM 595 CB ALA A 37 3.848 11.223 0.433 1.00 24.12 C ATOM 0 H ALA A 37 3.465 14.060 1.418 1.00 13.23 H new ATOM 0 HA ALA A 37 5.526 12.034 1.528 1.00 53.14 H new ATOM 0 HB1 ALA A 37 4.463 10.613 -0.228 1.00 24.12 H new ATOM 0 HB2 ALA A 37 3.506 10.617 1.272 1.00 24.12 H new ATOM 0 HB3 ALA A 37 2.986 11.600 -0.118 1.00 24.12 H new ATOM 601 N ARG A 38 6.284 12.689 -0.855 1.00 20.53 N ATOM 602 CA ARG A 38 6.912 13.361 -2.008 1.00 4.52 C ATOM 603 C ARG A 38 7.057 12.355 -3.150 1.00 71.21 C ATOM 604 O ARG A 38 7.506 11.235 -2.915 1.00 22.01 O ATOM 605 CB ARG A 38 8.288 13.905 -1.608 1.00 0.11 C ATOM 606 CG ARG A 38 9.073 14.310 -2.861 1.00 71.03 C ATOM 607 CD ARG A 38 10.233 15.226 -2.465 1.00 41.44 C ATOM 608 NE ARG A 38 10.957 15.666 -3.652 1.00 61.12 N ATOM 609 CZ ARG A 38 12.207 16.110 -3.569 1.00 43.41 C ATOM 610 NH1 ARG A 38 12.807 16.155 -2.412 1.00 1.43 N ATOM 611 NH2 ARG A 38 12.833 16.500 -4.646 1.00 55.23 N ATOM 0 H ARG A 38 6.715 11.800 -0.602 1.00 20.53 H new ATOM 0 HA ARG A 38 6.289 14.195 -2.333 1.00 4.52 H new ATOM 0 HB2 ARG A 38 8.171 14.764 -0.948 1.00 0.11 H new ATOM 0 HB3 ARG A 38 8.840 13.148 -1.051 1.00 0.11 H new ATOM 0 HG2 ARG A 38 9.453 13.423 -3.367 1.00 71.03 H new ATOM 0 HG3 ARG A 38 8.416 14.821 -3.565 1.00 71.03 H new ATOM 0 HD2 ARG A 38 9.853 16.091 -1.921 1.00 41.44 H new ATOM 0 HD3 ARG A 38 10.909 14.698 -1.793 1.00 41.44 H new ATOM 0 HE ARG A 38 10.496 15.632 -4.561 1.00 61.12 H new ATOM 0 HH11 ARG A 38 12.317 15.849 -1.571 1.00 1.43 H new ATOM 0 HH12 ARG A 38 13.766 16.496 -2.348 1.00 1.43 H new ATOM 0 HH21 ARG A 38 12.363 16.464 -5.550 1.00 55.23 H new ATOM 0 HH22 ARG A 38 13.792 16.841 -4.583 1.00 55.23 H new ATOM 625 N ILE A 39 6.663 12.728 -4.382 1.00 41.21 N ATOM 626 CA ILE A 39 6.725 11.823 -5.534 1.00 15.13 C ATOM 627 C ILE A 39 7.587 12.412 -6.647 1.00 22.01 C ATOM 628 O ILE A 39 7.609 13.624 -6.851 1.00 55.43 O ATOM 629 CB ILE A 39 5.300 11.563 -5.977 1.00 13.54 C ATOM 630 CG1 ILE A 39 5.174 10.421 -6.977 1.00 32.15 C ATOM 631 CG2 ILE A 39 4.732 12.776 -6.602 1.00 62.11 C ATOM 632 CD1 ILE A 39 3.677 10.092 -7.120 1.00 45.13 C ATOM 0 H ILE A 39 6.298 13.655 -4.601 1.00 41.21 H new ATOM 0 HA ILE A 39 7.200 10.879 -5.266 1.00 15.13 H new ATOM 0 HB ILE A 39 4.756 11.285 -5.074 1.00 13.54 H new ATOM 0 HG12 ILE A 39 5.597 10.707 -7.940 1.00 32.15 H new ATOM 0 HG13 ILE A 39 5.727 9.547 -6.632 1.00 32.15 H new ATOM 0 HG21 ILE A 39 3.707 12.577 -6.917 1.00 62.11 H new ATOM 0 HG22 ILE A 39 4.738 13.594 -5.881 1.00 62.11 H new ATOM 0 HG23 ILE A 39 5.331 13.053 -7.470 1.00 62.11 H new ATOM 0 HD11 ILE A 39 3.550 9.276 -7.831 1.00 45.13 H new ATOM 0 HD12 ILE A 39 3.276 9.795 -6.151 1.00 45.13 H new ATOM 0 HD13 ILE A 39 3.144 10.972 -7.479 1.00 45.13 H new ATOM 644 N SER A 40 8.306 11.540 -7.357 1.00 34.35 N ATOM 645 CA SER A 40 9.185 11.978 -8.444 1.00 73.31 C ATOM 646 C SER A 40 9.066 11.036 -9.639 1.00 1.44 C ATOM 647 O SER A 40 8.843 9.836 -9.475 1.00 55.15 O ATOM 648 CB SER A 40 10.638 12.014 -7.951 1.00 71.54 C ATOM 649 OG SER A 40 11.462 11.254 -8.828 1.00 50.44 O ATOM 0 H SER A 40 8.298 10.532 -7.200 1.00 34.35 H new ATOM 0 HA SER A 40 8.884 12.978 -8.758 1.00 73.31 H new ATOM 0 HB2 SER A 40 10.991 13.044 -7.906 1.00 71.54 H new ATOM 0 HB3 SER A 40 10.699 11.612 -6.940 1.00 71.54 H new ATOM 0 HG SER A 40 12.389 11.281 -8.511 1.00 50.44 H new ATOM 655 N PHE A 41 9.194 11.592 -10.843 1.00 70.11 N ATOM 656 CA PHE A 41 9.077 10.797 -12.062 1.00 63.21 C ATOM 657 C PHE A 41 10.420 10.217 -12.504 1.00 41.11 C ATOM 658 O PHE A 41 11.230 10.887 -13.144 1.00 5.24 O ATOM 659 CB PHE A 41 8.501 11.668 -13.188 1.00 33.00 C ATOM 660 CG PHE A 41 7.011 11.435 -13.333 1.00 72.23 C ATOM 661 CD1 PHE A 41 6.204 11.300 -12.195 1.00 0.12 C ATOM 662 CD2 PHE A 41 6.439 11.350 -14.608 1.00 31.51 C ATOM 663 CE1 PHE A 41 4.829 11.080 -12.335 1.00 20.32 C ATOM 664 CE2 PHE A 41 5.065 11.131 -14.747 1.00 11.21 C ATOM 665 CZ PHE A 41 4.259 10.995 -13.610 1.00 3.30 C ATOM 0 H PHE A 41 9.377 12.583 -10.999 1.00 70.11 H new ATOM 0 HA PHE A 41 8.411 9.961 -11.848 1.00 63.21 H new ATOM 0 HB2 PHE A 41 8.691 12.720 -12.975 1.00 33.00 H new ATOM 0 HB3 PHE A 41 9.004 11.437 -14.127 1.00 33.00 H new ATOM 0 HD1 PHE A 41 6.643 11.366 -11.210 1.00 0.12 H new ATOM 0 HD2 PHE A 41 7.060 11.454 -15.486 1.00 31.51 H new ATOM 0 HE1 PHE A 41 4.207 10.976 -11.458 1.00 20.32 H new ATOM 0 HE2 PHE A 41 4.625 11.067 -15.731 1.00 11.21 H new ATOM 0 HZ PHE A 41 3.198 10.825 -13.717 1.00 3.30 H new ATOM 675 N LEU A 42 10.602 8.947 -12.197 1.00 11.24 N ATOM 676 CA LEU A 42 11.807 8.232 -12.604 1.00 65.41 C ATOM 677 C LEU A 42 11.628 7.834 -14.062 1.00 73.33 C ATOM 678 O LEU A 42 12.570 7.807 -14.854 1.00 4.42 O ATOM 679 CB LEU A 42 12.012 6.971 -11.757 1.00 52.33 C ATOM 680 CG LEU A 42 12.582 7.311 -10.376 1.00 74.45 C ATOM 681 CD1 LEU A 42 12.658 6.020 -9.545 1.00 63.34 C ATOM 682 CD2 LEU A 42 13.987 7.929 -10.512 1.00 11.53 C ATOM 0 H LEU A 42 9.935 8.386 -11.668 1.00 11.24 H new ATOM 0 HA LEU A 42 12.679 8.872 -12.468 1.00 65.41 H new ATOM 0 HB2 LEU A 42 11.062 6.450 -11.642 1.00 52.33 H new ATOM 0 HB3 LEU A 42 12.688 6.290 -12.274 1.00 52.33 H new ATOM 0 HG LEU A 42 11.935 8.037 -9.883 1.00 74.45 H new ATOM 0 HD11 LEU A 42 13.062 6.246 -8.558 1.00 63.34 H new ATOM 0 HD12 LEU A 42 11.659 5.596 -9.440 1.00 63.34 H new ATOM 0 HD13 LEU A 42 13.306 5.302 -10.047 1.00 63.34 H new ATOM 0 HD21 LEU A 42 14.378 8.165 -9.522 1.00 11.53 H new ATOM 0 HD22 LEU A 42 14.651 7.219 -11.005 1.00 11.53 H new ATOM 0 HD23 LEU A 42 13.927 8.841 -11.105 1.00 11.53 H new ATOM 694 N GLY A 43 10.379 7.531 -14.378 1.00 34.45 N ATOM 695 CA GLY A 43 9.966 7.128 -15.715 1.00 75.32 C ATOM 696 C GLY A 43 8.481 6.767 -15.687 1.00 1.45 C ATOM 697 O GLY A 43 7.967 6.335 -14.659 1.00 23.42 O ATOM 0 H GLY A 43 9.613 7.558 -13.705 1.00 34.45 H new ATOM 0 HA2 GLY A 43 10.144 7.936 -16.424 1.00 75.32 H new ATOM 0 HA3 GLY A 43 10.555 6.274 -16.050 1.00 75.32 H new ATOM 701 N GLU A 44 7.786 6.950 -16.799 1.00 55.11 N ATOM 702 CA GLU A 44 6.362 6.632 -16.829 1.00 63.34 C ATOM 703 C GLU A 44 6.130 5.216 -16.310 1.00 45.43 C ATOM 704 O GLU A 44 5.070 4.911 -15.765 1.00 42.53 O ATOM 705 CB GLU A 44 5.822 6.758 -18.256 1.00 64.34 C ATOM 706 CG GLU A 44 6.033 8.188 -18.758 1.00 51.34 C ATOM 707 CD GLU A 44 5.199 9.160 -17.932 1.00 65.41 C ATOM 708 OE1 GLU A 44 4.271 8.710 -17.282 1.00 32.42 O ATOM 709 OE2 GLU A 44 5.502 10.342 -17.961 1.00 4.13 O ATOM 0 H GLU A 44 8.170 7.308 -17.674 1.00 55.11 H new ATOM 0 HA GLU A 44 5.833 7.337 -16.187 1.00 63.34 H new ATOM 0 HB2 GLU A 44 6.331 6.052 -18.912 1.00 64.34 H new ATOM 0 HB3 GLU A 44 4.762 6.506 -18.278 1.00 64.34 H new ATOM 0 HG2 GLU A 44 7.088 8.454 -18.691 1.00 51.34 H new ATOM 0 HG3 GLU A 44 5.753 8.258 -19.809 1.00 51.34 H new ATOM 716 N ASP A 45 7.135 4.359 -16.472 1.00 53.31 N ATOM 717 CA ASP A 45 7.041 2.978 -16.006 1.00 11.13 C ATOM 718 C ASP A 45 7.796 2.819 -14.689 1.00 10.04 C ATOM 719 O ASP A 45 8.088 1.703 -14.259 1.00 52.13 O ATOM 720 CB ASP A 45 7.633 2.029 -17.055 1.00 4.14 C ATOM 721 CG ASP A 45 7.295 2.529 -18.456 1.00 51.14 C ATOM 722 OD1 ASP A 45 6.125 2.751 -18.719 1.00 22.02 O ATOM 723 OD2 ASP A 45 8.213 2.681 -19.245 1.00 32.45 O ATOM 0 H ASP A 45 8.020 4.595 -16.920 1.00 53.31 H new ATOM 0 HA ASP A 45 5.991 2.731 -15.850 1.00 11.13 H new ATOM 0 HB2 ASP A 45 8.714 1.966 -16.933 1.00 4.14 H new ATOM 0 HB3 ASP A 45 7.237 1.023 -16.913 1.00 4.14 H new ATOM 728 N GLU A 46 8.119 3.946 -14.062 1.00 32.31 N ATOM 729 CA GLU A 46 8.853 3.925 -12.803 1.00 73.43 C ATOM 730 C GLU A 46 8.859 5.307 -12.146 1.00 34.51 C ATOM 731 O GLU A 46 9.226 6.298 -12.768 1.00 30.11 O ATOM 732 CB GLU A 46 10.297 3.485 -13.070 1.00 4.15 C ATOM 733 CG GLU A 46 11.033 3.255 -11.745 1.00 30.44 C ATOM 734 CD GLU A 46 12.532 3.135 -11.999 1.00 45.35 C ATOM 735 OE1 GLU A 46 12.929 3.246 -13.147 1.00 60.32 O ATOM 736 OE2 GLU A 46 13.260 2.934 -11.042 1.00 54.02 O ATOM 0 H GLU A 46 7.886 4.879 -14.403 1.00 32.31 H new ATOM 0 HA GLU A 46 8.362 3.225 -12.127 1.00 73.43 H new ATOM 0 HB2 GLU A 46 10.303 2.569 -13.661 1.00 4.15 H new ATOM 0 HB3 GLU A 46 10.815 4.245 -13.655 1.00 4.15 H new ATOM 0 HG2 GLU A 46 10.836 4.081 -11.061 1.00 30.44 H new ATOM 0 HG3 GLU A 46 10.663 2.349 -11.266 1.00 30.44 H new ATOM 743 N LEU A 47 8.459 5.368 -10.880 1.00 40.43 N ATOM 744 CA LEU A 47 8.440 6.635 -10.146 1.00 11.44 C ATOM 745 C LEU A 47 8.933 6.419 -8.717 1.00 10.44 C ATOM 746 O LEU A 47 8.743 5.360 -8.134 1.00 44.20 O ATOM 747 CB LEU A 47 7.039 7.274 -10.144 1.00 20.14 C ATOM 748 CG LEU A 47 5.953 6.209 -10.324 1.00 54.12 C ATOM 749 CD1 LEU A 47 4.605 6.820 -9.939 1.00 2.14 C ATOM 750 CD2 LEU A 47 5.911 5.711 -11.787 1.00 3.34 C ATOM 0 H LEU A 47 8.145 4.561 -10.341 1.00 40.43 H new ATOM 0 HA LEU A 47 9.111 7.327 -10.655 1.00 11.44 H new ATOM 0 HB2 LEU A 47 6.879 7.807 -9.207 1.00 20.14 H new ATOM 0 HB3 LEU A 47 6.969 8.010 -10.945 1.00 20.14 H new ATOM 0 HG LEU A 47 6.174 5.354 -9.685 1.00 54.12 H new ATOM 0 HD11 LEU A 47 3.819 6.074 -10.061 1.00 2.14 H new ATOM 0 HD12 LEU A 47 4.637 7.146 -8.899 1.00 2.14 H new ATOM 0 HD13 LEU A 47 4.397 7.676 -10.581 1.00 2.14 H new ATOM 0 HD21 LEU A 47 5.133 4.955 -11.892 1.00 3.34 H new ATOM 0 HD22 LEU A 47 5.695 6.549 -12.450 1.00 3.34 H new ATOM 0 HD23 LEU A 47 6.875 5.278 -12.052 1.00 3.34 H new ATOM 762 N LYS A 48 9.565 7.439 -8.155 1.00 13.43 N ATOM 763 CA LYS A 48 10.068 7.353 -6.786 1.00 71.43 C ATOM 764 C LYS A 48 9.135 8.116 -5.858 1.00 61.35 C ATOM 765 O LYS A 48 8.929 9.316 -6.042 1.00 11.03 O ATOM 766 CB LYS A 48 11.474 7.955 -6.709 1.00 32.54 C ATOM 767 CG LYS A 48 12.171 7.475 -5.433 1.00 70.50 C ATOM 768 CD LYS A 48 13.444 8.298 -5.200 1.00 65.55 C ATOM 769 CE LYS A 48 14.320 8.265 -6.456 1.00 70.34 C ATOM 770 NZ LYS A 48 13.816 9.265 -7.439 1.00 14.31 N ATOM 0 H LYS A 48 9.742 8.330 -8.619 1.00 13.43 H new ATOM 0 HA LYS A 48 10.111 6.307 -6.483 1.00 71.43 H new ATOM 0 HB2 LYS A 48 12.054 7.662 -7.584 1.00 32.54 H new ATOM 0 HB3 LYS A 48 11.415 9.043 -6.715 1.00 32.54 H new ATOM 0 HG2 LYS A 48 11.500 7.576 -4.580 1.00 70.50 H new ATOM 0 HG3 LYS A 48 12.420 6.417 -5.519 1.00 70.50 H new ATOM 0 HD2 LYS A 48 13.183 9.327 -4.955 1.00 65.55 H new ATOM 0 HD3 LYS A 48 13.996 7.898 -4.350 1.00 65.55 H new ATOM 0 HE2 LYS A 48 15.356 8.485 -6.196 1.00 70.34 H new ATOM 0 HE3 LYS A 48 14.306 7.268 -6.896 1.00 70.34 H new ATOM 0 HZ1 LYS A 48 14.621 9.716 -7.919 1.00 14.31 H new ATOM 0 HZ2 LYS A 48 13.216 8.788 -8.143 1.00 14.31 H new ATOM 0 HZ3 LYS A 48 13.259 9.989 -6.943 1.00 14.31 H new ATOM 784 N VAL A 49 8.572 7.435 -4.851 1.00 44.43 N ATOM 785 CA VAL A 49 7.673 8.113 -3.916 1.00 22.14 C ATOM 786 C VAL A 49 8.003 7.767 -2.466 1.00 40.03 C ATOM 787 O VAL A 49 8.386 6.646 -2.132 1.00 3.01 O ATOM 788 CB VAL A 49 6.177 7.899 -4.303 1.00 12.35 C ATOM 789 CG1 VAL A 49 5.512 6.708 -3.605 1.00 63.23 C ATOM 790 CG2 VAL A 49 5.364 9.140 -3.939 1.00 41.24 C ATOM 0 H VAL A 49 8.719 6.442 -4.668 1.00 44.43 H new ATOM 0 HA VAL A 49 7.840 9.187 -3.998 1.00 22.14 H new ATOM 0 HB VAL A 49 6.185 7.703 -5.375 1.00 12.35 H new ATOM 0 HG11 VAL A 49 4.474 6.629 -3.929 1.00 63.23 H new ATOM 0 HG12 VAL A 49 6.043 5.792 -3.863 1.00 63.23 H new ATOM 0 HG13 VAL A 49 5.545 6.854 -2.525 1.00 63.23 H new ATOM 0 HG21 VAL A 49 4.320 8.984 -4.212 1.00 41.24 H new ATOM 0 HG22 VAL A 49 5.436 9.320 -2.866 1.00 41.24 H new ATOM 0 HG23 VAL A 49 5.755 10.002 -4.479 1.00 41.24 H new ATOM 800 N SER A 50 7.882 8.797 -1.632 1.00 14.24 N ATOM 801 CA SER A 50 8.195 8.701 -0.206 1.00 60.14 C ATOM 802 C SER A 50 6.951 8.835 0.659 1.00 75.14 C ATOM 803 O SER A 50 6.011 9.546 0.305 1.00 13.45 O ATOM 804 CB SER A 50 9.183 9.805 0.168 1.00 14.31 C ATOM 805 OG SER A 50 10.470 9.476 -0.339 1.00 10.25 O ATOM 0 H SER A 50 7.565 9.721 -1.924 1.00 14.24 H new ATOM 0 HA SER A 50 8.628 7.717 -0.025 1.00 60.14 H new ATOM 0 HB2 SER A 50 8.851 10.759 -0.241 1.00 14.31 H new ATOM 0 HB3 SER A 50 9.225 9.920 1.251 1.00 14.31 H new ATOM 0 HG SER A 50 11.106 10.183 -0.102 1.00 10.25 H new ATOM 811 N TYR A 51 6.957 8.151 1.806 1.00 72.42 N ATOM 812 CA TYR A 51 5.830 8.199 2.728 1.00 41.53 C ATOM 813 C TYR A 51 6.248 8.877 4.031 1.00 53.10 C ATOM 814 O TYR A 51 7.247 8.488 4.640 1.00 44.43 O ATOM 815 CB TYR A 51 5.394 6.771 3.096 1.00 45.40 C ATOM 816 CG TYR A 51 4.937 5.974 1.888 1.00 72.31 C ATOM 817 CD1 TYR A 51 5.778 5.795 0.776 1.00 1.41 C ATOM 818 CD2 TYR A 51 3.667 5.381 1.897 1.00 4.41 C ATOM 819 CE1 TYR A 51 5.345 5.031 -0.313 1.00 60.03 C ATOM 820 CE2 TYR A 51 3.238 4.620 0.804 1.00 14.42 C ATOM 821 CZ TYR A 51 4.076 4.444 -0.297 1.00 62.13 C ATOM 822 OH TYR A 51 3.652 3.687 -1.369 1.00 32.04 O ATOM 0 H TYR A 51 7.729 7.560 2.114 1.00 72.42 H new ATOM 0 HA TYR A 51 5.022 8.746 2.242 1.00 41.53 H new ATOM 0 HB2 TYR A 51 6.224 6.253 3.576 1.00 45.40 H new ATOM 0 HB3 TYR A 51 4.584 6.818 3.824 1.00 45.40 H new ATOM 0 HD1 TYR A 51 6.759 6.247 0.762 1.00 1.41 H new ATOM 0 HD2 TYR A 51 3.018 5.512 2.750 1.00 4.41 H new ATOM 0 HE1 TYR A 51 5.992 4.894 -1.167 1.00 60.03 H new ATOM 0 HE2 TYR A 51 2.257 4.168 0.813 1.00 14.42 H new ATOM 0 HH TYR A 51 4.374 3.620 -2.028 1.00 32.04 H new ATOM 832 N ALA A 52 5.481 9.875 4.470 1.00 63.05 N ATOM 833 CA ALA A 52 5.788 10.573 5.721 1.00 54.43 C ATOM 834 C ALA A 52 4.566 10.549 6.635 1.00 70.23 C ATOM 835 O ALA A 52 3.565 11.210 6.359 1.00 70.14 O ATOM 836 CB ALA A 52 6.192 12.024 5.426 1.00 11.31 C ATOM 0 H ALA A 52 4.651 10.216 3.985 1.00 63.05 H new ATOM 0 HA ALA A 52 6.618 10.070 6.218 1.00 54.43 H new ATOM 0 HB1 ALA A 52 6.419 12.536 6.361 1.00 11.31 H new ATOM 0 HB2 ALA A 52 7.073 12.033 4.785 1.00 11.31 H new ATOM 0 HB3 ALA A 52 5.371 12.535 4.922 1.00 11.31 H new ATOM 842 N VAL A 53 4.647 9.776 7.720 1.00 13.22 N ATOM 843 CA VAL A 53 3.535 9.662 8.664 1.00 60.10 C ATOM 844 C VAL A 53 3.987 10.070 10.073 1.00 35.32 C ATOM 845 O VAL A 53 4.856 9.418 10.652 1.00 70.25 O ATOM 846 CB VAL A 53 3.051 8.208 8.697 1.00 51.24 C ATOM 847 CG1 VAL A 53 1.664 8.135 9.343 1.00 43.21 C ATOM 848 CG2 VAL A 53 2.982 7.663 7.267 1.00 12.32 C ATOM 0 H VAL A 53 5.468 9.222 7.966 1.00 13.22 H new ATOM 0 HA VAL A 53 2.729 10.322 8.343 1.00 60.10 H new ATOM 0 HB VAL A 53 3.748 7.609 9.283 1.00 51.24 H new ATOM 0 HG11 VAL A 53 1.326 7.099 9.363 1.00 43.21 H new ATOM 0 HG12 VAL A 53 1.716 8.520 10.362 1.00 43.21 H new ATOM 0 HG13 VAL A 53 0.961 8.735 8.765 1.00 43.21 H new ATOM 0 HG21 VAL A 53 2.638 6.629 7.288 1.00 12.32 H new ATOM 0 HG22 VAL A 53 2.287 8.265 6.681 1.00 12.32 H new ATOM 0 HG23 VAL A 53 3.972 7.707 6.813 1.00 12.32 H new ATOM 858 N PRO A 54 3.429 11.117 10.642 1.00 55.04 N ATOM 859 CA PRO A 54 3.807 11.574 12.007 1.00 52.13 C ATOM 860 C PRO A 54 3.044 10.822 13.092 1.00 61.54 C ATOM 861 O PRO A 54 1.883 10.458 12.906 1.00 33.05 O ATOM 862 CB PRO A 54 3.416 13.049 11.988 1.00 21.43 C ATOM 863 CG PRO A 54 2.209 13.100 11.109 1.00 13.30 C ATOM 864 CD PRO A 54 2.387 11.988 10.065 1.00 42.11 C ATOM 0 HA PRO A 54 4.859 11.401 12.234 1.00 52.13 H new ATOM 0 HB2 PRO A 54 3.194 13.414 12.991 1.00 21.43 H new ATOM 0 HB3 PRO A 54 4.221 13.669 11.594 1.00 21.43 H new ATOM 0 HG2 PRO A 54 1.299 12.946 11.689 1.00 13.30 H new ATOM 0 HG3 PRO A 54 2.120 14.074 10.628 1.00 13.30 H new ATOM 0 HD2 PRO A 54 1.458 11.443 9.901 1.00 42.11 H new ATOM 0 HD3 PRO A 54 2.694 12.392 9.100 1.00 42.11 H new ATOM 872 N LYS A 55 3.698 10.601 14.227 1.00 12.13 N ATOM 873 CA LYS A 55 3.062 9.899 15.335 1.00 51.21 C ATOM 874 C LYS A 55 3.693 10.327 16.664 1.00 61.43 C ATOM 875 O LYS A 55 4.912 10.472 16.754 1.00 73.41 O ATOM 876 CB LYS A 55 3.224 8.387 15.160 1.00 75.43 C ATOM 877 CG LYS A 55 2.455 7.925 13.919 1.00 52.15 C ATOM 878 CD LYS A 55 2.324 6.400 13.938 1.00 60.51 C ATOM 879 CE LYS A 55 3.716 5.763 13.889 1.00 64.12 C ATOM 880 NZ LYS A 55 3.595 4.337 13.475 1.00 12.03 N ATOM 0 H LYS A 55 4.659 10.895 14.403 1.00 12.13 H new ATOM 0 HA LYS A 55 2.002 10.151 15.343 1.00 51.21 H new ATOM 0 HB2 LYS A 55 4.280 8.134 15.061 1.00 75.43 H new ATOM 0 HB3 LYS A 55 2.853 7.867 16.044 1.00 75.43 H new ATOM 0 HG2 LYS A 55 1.467 8.385 13.898 1.00 52.15 H new ATOM 0 HG3 LYS A 55 2.975 8.245 13.016 1.00 52.15 H new ATOM 0 HD2 LYS A 55 1.799 6.081 14.839 1.00 60.51 H new ATOM 0 HD3 LYS A 55 1.730 6.065 13.087 1.00 60.51 H new ATOM 0 HE2 LYS A 55 4.351 6.304 13.187 1.00 64.12 H new ATOM 0 HE3 LYS A 55 4.193 5.830 14.867 1.00 64.12 H new ATOM 0 HZ1 LYS A 55 4.540 3.904 13.442 1.00 12.03 H new ATOM 0 HZ2 LYS A 55 3.004 3.825 14.161 1.00 12.03 H new ATOM 0 HZ3 LYS A 55 3.157 4.285 12.533 1.00 12.03 H new ATOM 894 N PRO A 56 2.902 10.527 17.693 1.00 11.11 N ATOM 895 CA PRO A 56 3.424 10.944 19.030 1.00 20.22 C ATOM 896 C PRO A 56 4.217 9.826 19.707 1.00 53.52 C ATOM 897 O PRO A 56 5.086 10.085 20.539 1.00 72.41 O ATOM 898 CB PRO A 56 2.156 11.288 19.826 1.00 42.05 C ATOM 899 CG PRO A 56 1.068 10.490 19.184 1.00 32.32 C ATOM 900 CD PRO A 56 1.434 10.386 17.703 1.00 23.11 C ATOM 0 HA PRO A 56 4.121 11.779 18.959 1.00 20.22 H new ATOM 0 HB2 PRO A 56 2.268 11.028 20.879 1.00 42.05 H new ATOM 0 HB3 PRO A 56 1.940 12.356 19.783 1.00 42.05 H new ATOM 0 HG2 PRO A 56 0.991 9.501 19.637 1.00 32.32 H new ATOM 0 HG3 PRO A 56 0.101 10.976 19.313 1.00 32.32 H new ATOM 0 HD2 PRO A 56 1.121 9.432 17.280 1.00 23.11 H new ATOM 0 HD3 PRO A 56 0.953 11.168 17.116 1.00 23.11 H new ATOM 908 N ASN A 57 3.909 8.584 19.345 1.00 34.52 N ATOM 909 CA ASN A 57 4.596 7.435 19.926 1.00 1.40 C ATOM 910 C ASN A 57 5.935 7.197 19.231 1.00 24.11 C ATOM 911 O ASN A 57 6.853 6.622 19.815 1.00 35.05 O ATOM 912 CB ASN A 57 3.724 6.185 19.797 1.00 44.12 C ATOM 913 CG ASN A 57 4.286 5.065 20.666 1.00 32.21 C ATOM 914 OD1 ASN A 57 5.269 5.266 21.379 1.00 55.25 O ATOM 915 ND2 ASN A 57 3.718 3.890 20.647 1.00 52.15 N ATOM 0 H ASN A 57 3.194 8.348 18.657 1.00 34.52 H new ATOM 0 HA ASN A 57 4.780 7.644 20.980 1.00 1.40 H new ATOM 0 HB2 ASN A 57 2.701 6.412 20.099 1.00 44.12 H new ATOM 0 HB3 ASN A 57 3.685 5.864 18.756 1.00 44.12 H new ATOM 0 HD21 ASN A 57 4.089 3.135 21.224 1.00 52.15 H new ATOM 0 HD22 ASN A 57 2.904 3.727 20.055 1.00 52.15 H new ATOM 922 N GLY A 58 6.039 7.641 17.982 1.00 2.53 N ATOM 923 CA GLY A 58 7.271 7.467 17.222 1.00 31.12 C ATOM 924 C GLY A 58 7.052 7.785 15.746 1.00 62.42 C ATOM 925 O GLY A 58 6.350 7.059 15.042 1.00 10.55 O ATOM 0 H GLY A 58 5.292 8.120 17.479 1.00 2.53 H new ATOM 0 HA2 GLY A 58 8.047 8.117 17.627 1.00 31.12 H new ATOM 0 HA3 GLY A 58 7.626 6.442 17.328 1.00 31.12 H new ATOM 929 N CYS A 59 7.658 8.874 15.286 1.00 51.21 N ATOM 930 CA CYS A 59 7.524 9.282 13.892 1.00 2.24 C ATOM 931 C CYS A 59 8.238 8.294 12.971 1.00 44.25 C ATOM 932 O CYS A 59 9.265 7.723 13.338 1.00 11.32 O ATOM 933 CB CYS A 59 8.110 10.685 13.705 1.00 5.11 C ATOM 934 SG CYS A 59 7.735 11.689 15.164 1.00 2.50 S ATOM 0 H CYS A 59 8.243 9.487 15.854 1.00 51.21 H new ATOM 0 HA CYS A 59 6.465 9.294 13.633 1.00 2.24 H new ATOM 0 HB2 CYS A 59 9.188 10.625 13.558 1.00 5.11 H new ATOM 0 HB3 CYS A 59 7.692 11.150 12.812 1.00 5.11 H new ATOM 939 N ARG A 60 7.687 8.099 11.774 1.00 15.55 N ATOM 940 CA ARG A 60 8.277 7.175 10.804 1.00 62.22 C ATOM 941 C ARG A 60 8.376 7.829 9.428 1.00 15.31 C ATOM 942 O ARG A 60 7.367 8.218 8.840 1.00 53.25 O ATOM 943 CB ARG A 60 7.426 5.907 10.706 1.00 21.43 C ATOM 944 CG ARG A 60 8.174 4.852 9.890 1.00 63.34 C ATOM 945 CD ARG A 60 7.270 3.636 9.676 1.00 62.30 C ATOM 946 NE ARG A 60 7.982 2.602 8.933 1.00 43.34 N ATOM 947 CZ ARG A 60 8.289 2.766 7.650 1.00 14.55 C ATOM 948 NH1 ARG A 60 7.952 3.866 7.034 1.00 45.05 N ATOM 949 NH2 ARG A 60 8.927 1.827 7.005 1.00 12.20 N ATOM 0 H ARG A 60 6.838 8.565 11.453 1.00 15.55 H new ATOM 0 HA ARG A 60 9.280 6.916 11.143 1.00 62.22 H new ATOM 0 HB2 ARG A 60 7.209 5.524 11.703 1.00 21.43 H new ATOM 0 HB3 ARG A 60 6.469 6.134 10.236 1.00 21.43 H new ATOM 0 HG2 ARG A 60 8.476 5.267 8.929 1.00 63.34 H new ATOM 0 HG3 ARG A 60 9.085 4.554 10.409 1.00 63.34 H new ATOM 0 HD2 ARG A 60 6.944 3.243 10.639 1.00 62.30 H new ATOM 0 HD3 ARG A 60 6.373 3.932 9.132 1.00 62.30 H new ATOM 0 HE ARG A 60 8.249 1.739 9.406 1.00 43.34 H new ATOM 0 HH11 ARG A 60 7.453 4.600 7.537 1.00 45.05 H new ATOM 0 HH12 ARG A 60 8.188 3.992 6.050 1.00 45.05 H new ATOM 0 HH21 ARG A 60 9.190 0.967 7.486 1.00 12.20 H new ATOM 0 HH22 ARG A 60 9.162 1.954 6.021 1.00 12.20 H new ATOM 963 N LYS A 61 9.601 7.935 8.917 1.00 3.20 N ATOM 964 CA LYS A 61 9.836 8.531 7.602 1.00 4.24 C ATOM 965 C LYS A 61 10.784 7.655 6.788 1.00 4.32 C ATOM 966 O LYS A 61 11.824 7.226 7.288 1.00 43.24 O ATOM 967 CB LYS A 61 10.436 9.930 7.762 1.00 10.22 C ATOM 968 CG LYS A 61 11.841 9.823 8.356 1.00 42.34 C ATOM 969 CD LYS A 61 12.313 11.208 8.805 1.00 30.40 C ATOM 970 CE LYS A 61 13.817 11.171 9.082 1.00 52.32 C ATOM 971 NZ LYS A 61 14.237 12.453 9.714 1.00 63.14 N ATOM 0 H LYS A 61 10.446 7.617 9.392 1.00 3.20 H new ATOM 0 HA LYS A 61 8.884 8.606 7.077 1.00 4.24 H new ATOM 0 HB2 LYS A 61 10.477 10.432 6.795 1.00 10.22 H new ATOM 0 HB3 LYS A 61 9.802 10.536 8.409 1.00 10.22 H new ATOM 0 HG2 LYS A 61 11.838 9.136 9.202 1.00 42.34 H new ATOM 0 HG3 LYS A 61 12.530 9.415 7.616 1.00 42.34 H new ATOM 0 HD2 LYS A 61 12.093 11.946 8.034 1.00 30.40 H new ATOM 0 HD3 LYS A 61 11.775 11.514 9.702 1.00 30.40 H new ATOM 0 HE2 LYS A 61 14.056 10.334 9.738 1.00 52.32 H new ATOM 0 HE3 LYS A 61 14.365 11.014 8.153 1.00 52.32 H new ATOM 0 HZ1 LYS A 61 15.259 12.428 9.903 1.00 63.14 H new ATOM 0 HZ2 LYS A 61 14.022 13.243 9.073 1.00 63.14 H new ATOM 0 HZ3 LYS A 61 13.723 12.584 10.609 1.00 63.14 H new ATOM 985 N TRP A 62 10.422 7.386 5.537 1.00 55.34 N ATOM 986 CA TRP A 62 11.264 6.552 4.683 1.00 74.55 C ATOM 987 C TRP A 62 10.946 6.782 3.205 1.00 43.13 C ATOM 988 O TRP A 62 10.054 7.557 2.860 1.00 12.21 O ATOM 989 CB TRP A 62 11.090 5.069 5.068 1.00 73.22 C ATOM 990 CG TRP A 62 10.106 4.391 4.167 1.00 3.41 C ATOM 991 CD1 TRP A 62 8.842 4.813 3.932 1.00 64.13 C ATOM 992 CD2 TRP A 62 10.288 3.180 3.381 1.00 54.25 C ATOM 993 NE1 TRP A 62 8.237 3.935 3.050 1.00 34.23 N ATOM 994 CE2 TRP A 62 9.090 2.912 2.681 1.00 25.41 C ATOM 995 CE3 TRP A 62 11.370 2.297 3.211 1.00 21.20 C ATOM 996 CZ2 TRP A 62 8.970 1.806 1.840 1.00 43.24 C ATOM 997 CZ3 TRP A 62 11.252 1.183 2.365 1.00 1.43 C ATOM 998 CH2 TRP A 62 10.054 0.939 1.681 1.00 54.30 C ATOM 0 H TRP A 62 9.567 7.726 5.097 1.00 55.34 H new ATOM 0 HA TRP A 62 12.306 6.831 4.837 1.00 74.55 H new ATOM 0 HB2 TRP A 62 12.052 4.560 5.010 1.00 73.22 H new ATOM 0 HB3 TRP A 62 10.752 4.996 6.102 1.00 73.22 H new ATOM 0 HD1 TRP A 62 8.381 5.690 4.362 1.00 64.13 H new ATOM 0 HE1 TRP A 62 7.279 4.031 2.713 1.00 34.23 H new ATOM 0 HE3 TRP A 62 12.297 2.477 3.735 1.00 21.20 H new ATOM 0 HZ2 TRP A 62 8.045 1.621 1.315 1.00 43.24 H new ATOM 0 HZ3 TRP A 62 12.088 0.511 2.241 1.00 1.43 H new ATOM 0 HH2 TRP A 62 9.968 0.081 1.031 1.00 54.30 H new ATOM 1009 N GLU A 63 11.696 6.101 2.345 1.00 70.22 N ATOM 1010 CA GLU A 63 11.517 6.223 0.897 1.00 32.22 C ATOM 1011 C GLU A 63 11.105 4.885 0.285 1.00 23.05 C ATOM 1012 O GLU A 63 11.311 3.828 0.881 1.00 21.10 O ATOM 1013 CB GLU A 63 12.825 6.698 0.259 1.00 54.11 C ATOM 1014 CG GLU A 63 12.584 7.065 -1.207 1.00 43.30 C ATOM 1015 CD GLU A 63 13.808 7.778 -1.772 1.00 12.33 C ATOM 1016 OE1 GLU A 63 14.884 7.208 -1.703 1.00 22.45 O ATOM 1017 OE2 GLU A 63 13.650 8.882 -2.265 1.00 75.32 O ATOM 0 H GLU A 63 12.436 5.457 2.623 1.00 70.22 H new ATOM 0 HA GLU A 63 10.726 6.948 0.705 1.00 32.22 H new ATOM 0 HB2 GLU A 63 13.212 7.561 0.801 1.00 54.11 H new ATOM 0 HB3 GLU A 63 13.579 5.914 0.328 1.00 54.11 H new ATOM 0 HG2 GLU A 63 12.377 6.166 -1.787 1.00 43.30 H new ATOM 0 HG3 GLU A 63 11.707 7.707 -1.291 1.00 43.30 H new ATOM 1024 N THR A 64 10.525 4.944 -0.913 1.00 2.50 N ATOM 1025 CA THR A 64 10.088 3.735 -1.611 1.00 63.24 C ATOM 1026 C THR A 64 10.142 3.943 -3.124 1.00 65.10 C ATOM 1027 O THR A 64 9.852 5.031 -3.621 1.00 2.44 O ATOM 1028 CB THR A 64 8.655 3.374 -1.193 1.00 71.13 C ATOM 1029 OG1 THR A 64 8.455 3.738 0.165 1.00 52.42 O ATOM 1030 CG2 THR A 64 8.426 1.869 -1.358 1.00 63.50 C ATOM 0 H THR A 64 10.347 5.812 -1.419 1.00 2.50 H new ATOM 0 HA THR A 64 10.759 2.920 -1.341 1.00 63.24 H new ATOM 0 HB THR A 64 7.950 3.913 -1.825 1.00 71.13 H new ATOM 0 HG1 THR A 64 9.066 3.226 0.734 1.00 52.42 H new ATOM 0 HG21 THR A 64 7.407 1.621 -1.059 1.00 63.50 H new ATOM 0 HG22 THR A 64 8.576 1.590 -2.401 1.00 63.50 H new ATOM 0 HG23 THR A 64 9.131 1.323 -0.731 1.00 63.50 H new ATOM 1038 N THR A 65 10.512 2.889 -3.850 1.00 34.42 N ATOM 1039 CA THR A 65 10.600 2.959 -5.309 1.00 15.15 C ATOM 1040 C THR A 65 9.471 2.156 -5.953 1.00 3.42 C ATOM 1041 O THR A 65 9.095 1.093 -5.460 1.00 62.32 O ATOM 1042 CB THR A 65 11.948 2.404 -5.775 1.00 45.40 C ATOM 1043 OG1 THR A 65 12.996 3.072 -5.087 1.00 52.35 O ATOM 1044 CG2 THR A 65 12.101 2.627 -7.280 1.00 73.41 C ATOM 0 H THR A 65 10.755 1.980 -3.455 1.00 34.42 H new ATOM 0 HA THR A 65 10.509 4.002 -5.611 1.00 15.15 H new ATOM 0 HB THR A 65 11.995 1.336 -5.562 1.00 45.40 H new ATOM 0 HG1 THR A 65 13.860 2.717 -5.383 1.00 52.35 H new ATOM 0 HG21 THR A 65 13.061 2.231 -7.611 1.00 73.41 H new ATOM 0 HG22 THR A 65 11.296 2.115 -7.807 1.00 73.41 H new ATOM 0 HG23 THR A 65 12.054 3.694 -7.496 1.00 73.41 H new ATOM 1052 N PHE A 66 8.929 2.682 -7.052 1.00 72.43 N ATOM 1053 CA PHE A 66 7.826 2.035 -7.769 1.00 45.13 C ATOM 1054 C PHE A 66 8.322 1.597 -9.149 1.00 64.34 C ATOM 1055 O PHE A 66 8.814 2.424 -9.915 1.00 15.01 O ATOM 1056 CB PHE A 66 6.703 3.065 -7.967 1.00 32.41 C ATOM 1057 CG PHE A 66 5.894 3.350 -6.709 1.00 4.43 C ATOM 1058 CD1 PHE A 66 6.201 2.779 -5.458 1.00 12.44 C ATOM 1059 CD2 PHE A 66 4.803 4.224 -6.816 1.00 72.30 C ATOM 1060 CE1 PHE A 66 5.416 3.086 -4.338 1.00 45.24 C ATOM 1061 CE2 PHE A 66 4.024 4.525 -5.698 1.00 23.34 C ATOM 1062 CZ PHE A 66 4.327 3.956 -4.462 1.00 24.24 C ATOM 0 H PHE A 66 9.238 3.560 -7.468 1.00 72.43 H new ATOM 0 HA PHE A 66 7.466 1.175 -7.205 1.00 45.13 H new ATOM 0 HB2 PHE A 66 7.139 3.998 -8.325 1.00 32.41 H new ATOM 0 HB3 PHE A 66 6.030 2.708 -8.746 1.00 32.41 H new ATOM 0 HD1 PHE A 66 7.040 2.106 -5.362 1.00 12.44 H new ATOM 0 HD2 PHE A 66 4.564 4.668 -7.771 1.00 72.30 H new ATOM 0 HE1 PHE A 66 5.652 2.651 -3.378 1.00 45.24 H new ATOM 0 HE2 PHE A 66 3.186 5.199 -5.790 1.00 23.34 H new ATOM 0 HZ PHE A 66 3.720 4.187 -3.599 1.00 24.24 H new ATOM 1072 N LYS A 67 8.245 0.291 -9.448 1.00 51.44 N ATOM 1073 CA LYS A 67 8.758 -0.228 -10.723 1.00 44.51 C ATOM 1074 C LYS A 67 7.694 -0.965 -11.544 1.00 43.43 C ATOM 1075 O LYS A 67 6.673 -1.429 -11.013 1.00 23.43 O ATOM 1076 CB LYS A 67 9.917 -1.188 -10.454 1.00 32.50 C ATOM 1077 CG LYS A 67 10.971 -0.497 -9.588 1.00 41.22 C ATOM 1078 CD LYS A 67 12.275 -1.296 -9.641 1.00 32.33 C ATOM 1079 CE LYS A 67 13.256 -0.744 -8.605 1.00 51.41 C ATOM 1080 NZ LYS A 67 14.560 -1.455 -8.727 1.00 74.14 N ATOM 0 H LYS A 67 7.839 -0.415 -8.834 1.00 51.44 H new ATOM 0 HA LYS A 67 9.084 0.635 -11.304 1.00 44.51 H new ATOM 0 HB2 LYS A 67 9.551 -2.083 -9.952 1.00 32.50 H new ATOM 0 HB3 LYS A 67 10.361 -1.510 -11.396 1.00 32.50 H new ATOM 0 HG2 LYS A 67 11.140 0.520 -9.943 1.00 41.22 H new ATOM 0 HG3 LYS A 67 10.620 -0.421 -8.559 1.00 41.22 H new ATOM 0 HD2 LYS A 67 12.076 -2.349 -9.444 1.00 32.33 H new ATOM 0 HD3 LYS A 67 12.711 -1.235 -10.638 1.00 32.33 H new ATOM 0 HE2 LYS A 67 13.398 0.326 -8.757 1.00 51.41 H new ATOM 0 HE3 LYS A 67 12.852 -0.873 -7.601 1.00 51.41 H new ATOM 0 HZ1 LYS A 67 15.227 -1.080 -8.023 1.00 74.14 H new ATOM 0 HZ2 LYS A 67 14.418 -2.472 -8.562 1.00 74.14 H new ATOM 0 HZ3 LYS A 67 14.946 -1.310 -9.682 1.00 74.14 H new ATOM 1094 N LYS A 68 7.930 -1.009 -12.861 1.00 22.24 N ATOM 1095 CA LYS A 68 7.004 -1.656 -13.787 1.00 65.00 C ATOM 1096 C LYS A 68 5.628 -1.076 -13.584 1.00 54.50 C ATOM 1097 O LYS A 68 4.701 -1.755 -13.144 1.00 63.41 O ATOM 1098 CB LYS A 68 6.974 -3.166 -13.540 1.00 23.31 C ATOM 1099 CG LYS A 68 6.221 -3.853 -14.682 1.00 65.04 C ATOM 1100 CD LYS A 68 6.267 -5.371 -14.484 1.00 51.41 C ATOM 1101 CE LYS A 68 5.636 -6.065 -15.692 1.00 25.13 C ATOM 1102 NZ LYS A 68 5.996 -7.511 -15.678 1.00 10.44 N ATOM 0 H LYS A 68 8.754 -0.604 -13.305 1.00 22.24 H new ATOM 0 HA LYS A 68 7.333 -1.481 -14.811 1.00 65.00 H new ATOM 0 HB2 LYS A 68 7.990 -3.555 -13.474 1.00 23.31 H new ATOM 0 HB3 LYS A 68 6.488 -3.380 -12.588 1.00 23.31 H new ATOM 0 HG2 LYS A 68 5.187 -3.510 -14.708 1.00 65.04 H new ATOM 0 HG3 LYS A 68 6.669 -3.587 -15.639 1.00 65.04 H new ATOM 0 HD2 LYS A 68 7.299 -5.701 -14.360 1.00 51.41 H new ATOM 0 HD3 LYS A 68 5.733 -5.646 -13.574 1.00 51.41 H new ATOM 0 HE2 LYS A 68 4.553 -5.949 -15.667 1.00 25.13 H new ATOM 0 HE3 LYS A 68 5.985 -5.601 -16.615 1.00 25.13 H new ATOM 0 HZ1 LYS A 68 5.567 -7.983 -16.499 1.00 10.44 H new ATOM 0 HZ2 LYS A 68 7.030 -7.612 -15.722 1.00 10.44 H new ATOM 0 HZ3 LYS A 68 5.642 -7.948 -14.803 1.00 10.44 H new ATOM 1116 N THR A 69 5.529 0.212 -13.854 1.00 51.02 N ATOM 1117 CA THR A 69 4.311 0.937 -13.652 1.00 71.51 C ATOM 1118 C THR A 69 3.656 1.356 -14.968 1.00 64.43 C ATOM 1119 O THR A 69 3.726 2.517 -15.371 1.00 62.13 O ATOM 1120 CB THR A 69 4.686 2.145 -12.814 1.00 12.00 C ATOM 1121 OG1 THR A 69 5.438 3.054 -13.605 1.00 13.24 O ATOM 1122 CG2 THR A 69 5.537 1.671 -11.618 1.00 73.54 C ATOM 0 H THR A 69 6.297 0.776 -14.219 1.00 51.02 H new ATOM 0 HA THR A 69 3.570 0.312 -13.154 1.00 71.51 H new ATOM 0 HB THR A 69 3.787 2.645 -12.454 1.00 12.00 H new ATOM 0 HG1 THR A 69 4.870 3.416 -14.317 1.00 13.24 H new ATOM 0 HG21 THR A 69 5.814 2.529 -11.006 1.00 73.54 H new ATOM 0 HG22 THR A 69 4.960 0.968 -11.017 1.00 73.54 H new ATOM 0 HG23 THR A 69 6.439 1.180 -11.985 1.00 73.54 H new ATOM 1130 N SER A 70 3.008 0.396 -15.625 1.00 74.51 N ATOM 1131 CA SER A 70 2.328 0.662 -16.890 1.00 21.01 C ATOM 1132 C SER A 70 1.285 -0.418 -17.170 1.00 10.32 C ATOM 1133 O SER A 70 0.731 -0.494 -18.266 1.00 24.32 O ATOM 1134 CB SER A 70 3.345 0.701 -18.032 1.00 53.14 C ATOM 1135 OG SER A 70 4.488 1.435 -17.617 1.00 53.12 O ATOM 0 H SER A 70 2.940 -0.570 -15.303 1.00 74.51 H new ATOM 0 HA SER A 70 1.828 1.628 -16.819 1.00 21.01 H new ATOM 0 HB2 SER A 70 3.632 -0.312 -18.314 1.00 53.14 H new ATOM 0 HB3 SER A 70 2.902 1.164 -18.914 1.00 53.14 H new ATOM 0 HG SER A 70 5.008 1.703 -18.403 1.00 53.12 H new ATOM 1141 N ASP A 71 1.036 -1.257 -16.170 1.00 0.23 N ATOM 1142 CA ASP A 71 0.075 -2.344 -16.298 1.00 54.51 C ATOM 1143 C ASP A 71 -1.274 -1.851 -16.824 1.00 3.02 C ATOM 1144 O ASP A 71 -1.559 -1.948 -18.018 1.00 43.30 O ATOM 1145 CB ASP A 71 -0.116 -3.003 -14.927 1.00 11.01 C ATOM 1146 CG ASP A 71 1.014 -3.992 -14.652 1.00 62.51 C ATOM 1147 OD1 ASP A 71 1.949 -4.028 -15.434 1.00 63.31 O ATOM 1148 OD2 ASP A 71 0.928 -4.697 -13.660 1.00 31.30 O ATOM 0 H ASP A 71 1.490 -1.203 -15.258 1.00 0.23 H new ATOM 0 HA ASP A 71 0.466 -3.064 -17.017 1.00 54.51 H new ATOM 0 HB2 ASP A 71 -0.138 -2.240 -14.149 1.00 11.01 H new ATOM 0 HB3 ASP A 71 -1.076 -3.519 -14.894 1.00 11.01 H new ATOM 1153 N ASP A 72 -2.105 -1.336 -15.920 1.00 43.12 N ATOM 1154 CA ASP A 72 -3.431 -0.847 -16.296 1.00 20.24 C ATOM 1155 C ASP A 72 -3.372 0.641 -16.580 1.00 75.14 C ATOM 1156 O ASP A 72 -3.772 1.460 -15.755 1.00 54.22 O ATOM 1157 CB ASP A 72 -4.429 -1.116 -15.168 1.00 52.33 C ATOM 1158 CG ASP A 72 -4.670 -2.615 -15.032 1.00 41.20 C ATOM 1159 OD1 ASP A 72 -4.184 -3.353 -15.875 1.00 10.50 O ATOM 1160 OD2 ASP A 72 -5.336 -3.005 -14.087 1.00 10.34 O ATOM 0 H ASP A 72 -1.886 -1.246 -14.928 1.00 43.12 H new ATOM 0 HA ASP A 72 -3.757 -1.371 -17.194 1.00 20.24 H new ATOM 0 HB2 ASP A 72 -4.047 -0.714 -14.230 1.00 52.33 H new ATOM 0 HB3 ASP A 72 -5.370 -0.605 -15.374 1.00 52.33 H new ATOM 1165 N GLY A 73 -2.847 0.987 -17.744 1.00 10.12 N ATOM 1166 CA GLY A 73 -2.714 2.383 -18.106 1.00 34.13 C ATOM 1167 C GLY A 73 -1.546 2.981 -17.339 1.00 54.02 C ATOM 1168 O GLY A 73 -0.395 2.859 -17.756 1.00 71.12 O ATOM 0 H GLY A 73 -2.510 0.327 -18.445 1.00 10.12 H new ATOM 0 HA2 GLY A 73 -2.550 2.480 -19.179 1.00 34.13 H new ATOM 0 HA3 GLY A 73 -3.633 2.922 -17.874 1.00 34.13 H new ATOM 1172 N GLU A 74 -1.838 3.583 -16.187 1.00 23.14 N ATOM 1173 CA GLU A 74 -0.797 4.144 -15.334 1.00 13.14 C ATOM 1174 C GLU A 74 -0.959 3.635 -13.907 1.00 63.23 C ATOM 1175 O GLU A 74 -1.710 4.224 -13.128 1.00 12.44 O ATOM 1176 CB GLU A 74 -0.874 5.668 -15.340 1.00 31.33 C ATOM 1177 CG GLU A 74 -0.518 6.198 -16.731 1.00 23.31 C ATOM 1178 CD GLU A 74 0.951 5.926 -17.034 1.00 4.33 C ATOM 1179 OE1 GLU A 74 1.681 5.621 -16.105 1.00 20.24 O ATOM 1180 OE2 GLU A 74 1.326 6.024 -18.191 1.00 12.03 O ATOM 0 H GLU A 74 -2.785 3.694 -15.825 1.00 23.14 H new ATOM 0 HA GLU A 74 0.173 3.832 -15.721 1.00 13.14 H new ATOM 0 HB2 GLU A 74 -1.877 5.992 -15.063 1.00 31.33 H new ATOM 0 HB3 GLU A 74 -0.190 6.079 -14.598 1.00 31.33 H new ATOM 0 HG2 GLU A 74 -1.147 5.721 -17.483 1.00 23.31 H new ATOM 0 HG3 GLU A 74 -0.716 7.269 -16.783 1.00 23.31 H new ATOM 1187 N VAL A 75 -0.269 2.560 -13.541 1.00 55.32 N ATOM 1188 CA VAL A 75 -0.364 2.015 -12.189 1.00 2.32 C ATOM 1189 C VAL A 75 1.025 1.639 -11.710 1.00 1.22 C ATOM 1190 O VAL A 75 1.887 1.347 -12.526 1.00 63.33 O ATOM 1191 CB VAL A 75 -1.261 0.779 -12.164 1.00 64.11 C ATOM 1192 CG1 VAL A 75 -1.403 0.278 -10.716 1.00 32.41 C ATOM 1193 CG2 VAL A 75 -2.634 1.146 -12.737 1.00 24.21 C ATOM 0 H VAL A 75 0.361 2.049 -14.159 1.00 55.32 H new ATOM 0 HA VAL A 75 -0.799 2.770 -11.534 1.00 2.32 H new ATOM 0 HB VAL A 75 -0.821 -0.014 -12.768 1.00 64.11 H new ATOM 0 HG11 VAL A 75 -2.043 -0.604 -10.697 1.00 32.41 H new ATOM 0 HG12 VAL A 75 -0.420 0.021 -10.322 1.00 32.41 H new ATOM 0 HG13 VAL A 75 -1.847 1.061 -10.102 1.00 32.41 H new ATOM 0 HG21 VAL A 75 -3.281 0.269 -12.723 1.00 24.21 H new ATOM 0 HG22 VAL A 75 -3.081 1.936 -12.133 1.00 24.21 H new ATOM 0 HG23 VAL A 75 -2.519 1.495 -13.763 1.00 24.21 H new ATOM 1203 N TYR A 76 1.256 1.673 -10.401 1.00 0.10 N ATOM 1204 CA TYR A 76 2.600 1.351 -9.878 1.00 1.14 C ATOM 1205 C TYR A 76 2.634 -0.019 -9.215 1.00 33.00 C ATOM 1206 O TYR A 76 1.685 -0.401 -8.542 1.00 22.34 O ATOM 1207 CB TYR A 76 3.029 2.420 -8.840 1.00 54.13 C ATOM 1208 CG TYR A 76 3.540 1.758 -7.559 1.00 60.11 C ATOM 1209 CD1 TYR A 76 4.664 0.917 -7.590 1.00 41.13 C ATOM 1210 CD2 TYR A 76 2.877 1.974 -6.345 1.00 43.42 C ATOM 1211 CE1 TYR A 76 5.113 0.304 -6.418 1.00 12.03 C ATOM 1212 CE2 TYR A 76 3.334 1.359 -5.172 1.00 70.24 C ATOM 1213 CZ TYR A 76 4.449 0.525 -5.210 1.00 20.12 C ATOM 1214 OH TYR A 76 4.895 -0.078 -4.051 1.00 14.42 O ATOM 0 H TYR A 76 0.561 1.911 -9.694 1.00 0.10 H new ATOM 0 HA TYR A 76 3.288 1.343 -10.724 1.00 1.14 H new ATOM 0 HB2 TYR A 76 3.809 3.053 -9.264 1.00 54.13 H new ATOM 0 HB3 TYR A 76 2.184 3.068 -8.608 1.00 54.13 H new ATOM 0 HD1 TYR A 76 5.182 0.744 -8.522 1.00 41.13 H new ATOM 0 HD2 TYR A 76 2.010 2.617 -6.313 1.00 43.42 H new ATOM 0 HE1 TYR A 76 5.977 -0.343 -6.446 1.00 12.03 H new ATOM 0 HE2 TYR A 76 2.821 1.532 -4.237 1.00 70.24 H new ATOM 0 HH TYR A 76 4.374 -0.891 -3.884 1.00 14.42 H new ATOM 1224 N TYR A 77 3.754 -0.766 -9.394 1.00 45.44 N ATOM 1225 CA TYR A 77 3.863 -2.077 -8.770 1.00 15.32 C ATOM 1226 C TYR A 77 5.290 -2.381 -8.288 1.00 5.31 C ATOM 1227 O TYR A 77 6.252 -2.284 -9.048 1.00 31.34 O ATOM 1228 CB TYR A 77 3.402 -3.157 -9.755 1.00 12.41 C ATOM 1229 CG TYR A 77 3.669 -4.531 -9.184 1.00 31.32 C ATOM 1230 CD1 TYR A 77 2.756 -5.113 -8.295 1.00 31.00 C ATOM 1231 CD2 TYR A 77 4.830 -5.224 -9.546 1.00 34.24 C ATOM 1232 CE1 TYR A 77 3.004 -6.386 -7.771 1.00 50.53 C ATOM 1233 CE2 TYR A 77 5.079 -6.497 -9.021 1.00 75.04 C ATOM 1234 CZ TYR A 77 4.167 -7.078 -8.133 1.00 51.15 C ATOM 1235 OH TYR A 77 4.411 -8.334 -7.616 1.00 14.13 O ATOM 0 H TYR A 77 4.561 -0.481 -9.949 1.00 45.44 H new ATOM 0 HA TYR A 77 3.220 -2.075 -7.890 1.00 15.32 H new ATOM 0 HB2 TYR A 77 2.338 -3.041 -9.961 1.00 12.41 H new ATOM 0 HB3 TYR A 77 3.925 -3.041 -10.704 1.00 12.41 H new ATOM 0 HD1 TYR A 77 1.860 -4.579 -8.014 1.00 31.00 H new ATOM 0 HD2 TYR A 77 5.534 -4.776 -10.231 1.00 34.24 H new ATOM 0 HE1 TYR A 77 2.299 -6.835 -7.087 1.00 50.53 H new ATOM 0 HE2 TYR A 77 5.975 -7.031 -9.301 1.00 75.04 H new ATOM 0 HH TYR A 77 5.259 -8.674 -7.969 1.00 14.13 H new ATOM 1245 N SER A 78 5.420 -2.752 -7.007 1.00 33.44 N ATOM 1246 CA SER A 78 6.729 -3.084 -6.437 1.00 51.31 C ATOM 1247 C SER A 78 6.810 -4.584 -6.161 1.00 44.42 C ATOM 1248 O SER A 78 6.256 -5.079 -5.180 1.00 55.11 O ATOM 1249 CB SER A 78 6.957 -2.310 -5.131 1.00 53.44 C ATOM 1250 OG SER A 78 7.813 -1.203 -5.384 1.00 70.33 O ATOM 0 H SER A 78 4.641 -2.829 -6.353 1.00 33.44 H new ATOM 0 HA SER A 78 7.501 -2.803 -7.154 1.00 51.31 H new ATOM 0 HB2 SER A 78 6.005 -1.964 -4.729 1.00 53.44 H new ATOM 0 HB3 SER A 78 7.401 -2.964 -4.380 1.00 53.44 H new ATOM 0 HG SER A 78 7.493 -0.422 -4.886 1.00 70.33 H new ATOM 1256 N GLU A 79 7.497 -5.294 -7.041 1.00 64.42 N ATOM 1257 CA GLU A 79 7.640 -6.736 -6.897 1.00 30.01 C ATOM 1258 C GLU A 79 8.104 -7.093 -5.485 1.00 2.23 C ATOM 1259 O GLU A 79 7.739 -8.139 -4.948 1.00 4.33 O ATOM 1260 CB GLU A 79 8.652 -7.264 -7.917 1.00 33.30 C ATOM 1261 CG GLU A 79 8.580 -8.791 -7.964 1.00 30.34 C ATOM 1262 CD GLU A 79 9.660 -9.335 -8.895 1.00 33.33 C ATOM 1263 OE1 GLU A 79 10.442 -8.540 -9.390 1.00 23.34 O ATOM 1264 OE2 GLU A 79 9.688 -10.537 -9.098 1.00 65.52 O ATOM 0 H GLU A 79 7.962 -4.900 -7.858 1.00 64.42 H new ATOM 0 HA GLU A 79 6.669 -7.198 -7.075 1.00 30.01 H new ATOM 0 HB2 GLU A 79 8.441 -6.849 -8.903 1.00 33.30 H new ATOM 0 HB3 GLU A 79 9.658 -6.945 -7.645 1.00 33.30 H new ATOM 0 HG2 GLU A 79 8.711 -9.201 -6.962 1.00 30.34 H new ATOM 0 HG3 GLU A 79 7.596 -9.107 -8.311 1.00 30.34 H new ATOM 1271 N GLU A 80 8.917 -6.222 -4.895 1.00 4.13 N ATOM 1272 CA GLU A 80 9.437 -6.458 -3.549 1.00 34.44 C ATOM 1273 C GLU A 80 8.438 -6.057 -2.458 1.00 22.20 C ATOM 1274 O GLU A 80 8.280 -6.767 -1.465 1.00 25.24 O ATOM 1275 CB GLU A 80 10.734 -5.670 -3.354 1.00 1.22 C ATOM 1276 CG GLU A 80 11.800 -6.190 -4.322 1.00 12.50 C ATOM 1277 CD GLU A 80 11.479 -5.738 -5.743 1.00 21.23 C ATOM 1278 OE1 GLU A 80 10.716 -4.799 -5.887 1.00 33.43 O ATOM 1279 OE2 GLU A 80 12.003 -6.340 -6.666 1.00 3.01 O ATOM 0 H GLU A 80 9.230 -5.351 -5.323 1.00 4.13 H new ATOM 0 HA GLU A 80 9.619 -7.529 -3.456 1.00 34.44 H new ATOM 0 HB2 GLU A 80 10.557 -4.609 -3.528 1.00 1.22 H new ATOM 0 HB3 GLU A 80 11.082 -5.771 -2.326 1.00 1.22 H new ATOM 0 HG2 GLU A 80 12.782 -5.820 -4.027 1.00 12.50 H new ATOM 0 HG3 GLU A 80 11.843 -7.278 -4.279 1.00 12.50 H new ATOM 1286 N ALA A 81 7.795 -4.901 -2.624 1.00 25.42 N ATOM 1287 CA ALA A 81 6.850 -4.404 -1.618 1.00 41.45 C ATOM 1288 C ALA A 81 5.428 -4.928 -1.836 1.00 51.33 C ATOM 1289 O ALA A 81 4.507 -4.520 -1.129 1.00 34.11 O ATOM 1290 CB ALA A 81 6.834 -2.869 -1.639 1.00 41.11 C ATOM 0 H ALA A 81 7.908 -4.295 -3.436 1.00 25.42 H new ATOM 0 HA ALA A 81 7.189 -4.771 -0.649 1.00 41.45 H new ATOM 0 HB1 ALA A 81 6.131 -2.502 -0.891 1.00 41.11 H new ATOM 0 HB2 ALA A 81 7.832 -2.492 -1.415 1.00 41.11 H new ATOM 0 HB3 ALA A 81 6.527 -2.522 -2.626 1.00 41.11 H new ATOM 1296 N LYS A 82 5.254 -5.831 -2.803 1.00 51.43 N ATOM 1297 CA LYS A 82 3.930 -6.402 -3.095 1.00 20.21 C ATOM 1298 C LYS A 82 2.815 -5.411 -2.774 1.00 61.12 C ATOM 1299 O LYS A 82 1.904 -5.696 -1.988 1.00 24.41 O ATOM 1300 CB LYS A 82 3.723 -7.689 -2.293 1.00 71.13 C ATOM 1301 CG LYS A 82 4.727 -8.747 -2.753 1.00 50.23 C ATOM 1302 CD LYS A 82 4.418 -10.078 -2.066 1.00 25.51 C ATOM 1303 CE LYS A 82 5.489 -11.106 -2.438 1.00 23.00 C ATOM 1304 NZ LYS A 82 5.337 -11.485 -3.871 1.00 51.05 N ATOM 0 H LYS A 82 6.006 -6.183 -3.396 1.00 51.43 H new ATOM 0 HA LYS A 82 3.891 -6.627 -4.161 1.00 20.21 H new ATOM 0 HB2 LYS A 82 3.850 -7.491 -1.229 1.00 71.13 H new ATOM 0 HB3 LYS A 82 2.705 -8.055 -2.430 1.00 71.13 H new ATOM 0 HG2 LYS A 82 4.677 -8.864 -3.836 1.00 50.23 H new ATOM 0 HG3 LYS A 82 5.742 -8.429 -2.513 1.00 50.23 H new ATOM 0 HD2 LYS A 82 4.389 -9.943 -0.985 1.00 25.51 H new ATOM 0 HD3 LYS A 82 3.434 -10.436 -2.369 1.00 25.51 H new ATOM 0 HE2 LYS A 82 6.482 -10.692 -2.264 1.00 23.00 H new ATOM 0 HE3 LYS A 82 5.396 -11.989 -1.805 1.00 23.00 H new ATOM 0 HZ1 LYS A 82 5.908 -12.331 -4.069 1.00 51.05 H new ATOM 0 HZ2 LYS A 82 4.337 -11.688 -4.072 1.00 51.05 H new ATOM 0 HZ3 LYS A 82 5.659 -10.701 -4.474 1.00 51.05 H new ATOM 1318 N LYS A 83 2.900 -4.250 -3.405 1.00 61.34 N ATOM 1319 CA LYS A 83 1.912 -3.194 -3.211 1.00 5.42 C ATOM 1320 C LYS A 83 1.875 -2.274 -4.424 1.00 43.43 C ATOM 1321 O LYS A 83 2.915 -1.846 -4.923 1.00 51.02 O ATOM 1322 CB LYS A 83 2.253 -2.378 -1.961 1.00 12.21 C ATOM 1323 CG LYS A 83 1.071 -1.469 -1.599 1.00 44.23 C ATOM 1324 CD LYS A 83 1.543 -0.328 -0.690 1.00 74.25 C ATOM 1325 CE LYS A 83 1.927 -0.885 0.681 1.00 0.32 C ATOM 1326 NZ LYS A 83 0.785 -1.657 1.243 1.00 40.13 N ATOM 0 H LYS A 83 3.646 -4.012 -4.059 1.00 61.34 H new ATOM 0 HA LYS A 83 0.933 -3.656 -3.084 1.00 5.42 H new ATOM 0 HB2 LYS A 83 2.479 -3.046 -1.129 1.00 12.21 H new ATOM 0 HB3 LYS A 83 3.145 -1.777 -2.139 1.00 12.21 H new ATOM 0 HG2 LYS A 83 0.625 -1.061 -2.506 1.00 44.23 H new ATOM 0 HG3 LYS A 83 0.297 -2.049 -1.096 1.00 44.23 H new ATOM 0 HD2 LYS A 83 2.397 0.178 -1.140 1.00 74.25 H new ATOM 0 HD3 LYS A 83 0.753 0.415 -0.583 1.00 74.25 H new ATOM 0 HE2 LYS A 83 2.804 -1.526 0.592 1.00 0.32 H new ATOM 0 HE3 LYS A 83 2.195 -0.070 1.354 1.00 0.32 H new ATOM 0 HZ1 LYS A 83 0.766 -1.546 2.277 1.00 40.13 H new ATOM 0 HZ2 LYS A 83 -0.106 -1.302 0.840 1.00 40.13 H new ATOM 0 HZ3 LYS A 83 0.896 -2.663 1.005 1.00 40.13 H new ATOM 1340 N LYS A 84 0.668 -1.989 -4.906 1.00 12.51 N ATOM 1341 CA LYS A 84 0.499 -1.134 -6.079 1.00 13.44 C ATOM 1342 C LYS A 84 -0.544 -0.057 -5.833 1.00 44.44 C ATOM 1343 O LYS A 84 -1.517 -0.269 -5.109 1.00 11.55 O ATOM 1344 CB LYS A 84 0.089 -1.986 -7.289 1.00 32.15 C ATOM 1345 CG LYS A 84 -0.899 -3.069 -6.852 1.00 61.44 C ATOM 1346 CD LYS A 84 -1.315 -3.897 -8.070 1.00 25.05 C ATOM 1347 CE LYS A 84 -2.127 -5.109 -7.612 1.00 75.31 C ATOM 1348 NZ LYS A 84 -3.105 -4.686 -6.570 1.00 64.50 N ATOM 0 H LYS A 84 -0.204 -2.335 -4.505 1.00 12.51 H new ATOM 0 HA LYS A 84 1.452 -0.644 -6.280 1.00 13.44 H new ATOM 0 HB2 LYS A 84 -0.365 -1.354 -8.053 1.00 32.15 H new ATOM 0 HB3 LYS A 84 0.970 -2.445 -7.737 1.00 32.15 H new ATOM 0 HG2 LYS A 84 -0.442 -3.712 -6.100 1.00 61.44 H new ATOM 0 HG3 LYS A 84 -1.775 -2.613 -6.391 1.00 61.44 H new ATOM 0 HD2 LYS A 84 -1.907 -3.287 -8.753 1.00 25.05 H new ATOM 0 HD3 LYS A 84 -0.432 -4.224 -8.619 1.00 25.05 H new ATOM 0 HE2 LYS A 84 -2.651 -5.551 -8.460 1.00 75.31 H new ATOM 0 HE3 LYS A 84 -1.463 -5.876 -7.213 1.00 75.31 H new ATOM 0 HZ1 LYS A 84 -3.828 -5.424 -6.453 1.00 64.50 H new ATOM 0 HZ2 LYS A 84 -2.609 -4.541 -5.667 1.00 64.50 H new ATOM 0 HZ3 LYS A 84 -3.561 -3.798 -6.862 1.00 64.50 H new ATOM 1362 N VAL A 85 -0.344 1.097 -6.474 1.00 1.33 N ATOM 1363 CA VAL A 85 -1.288 2.199 -6.351 1.00 51.31 C ATOM 1364 C VAL A 85 -1.599 2.773 -7.727 1.00 52.24 C ATOM 1365 O VAL A 85 -0.707 2.988 -8.548 1.00 71.10 O ATOM 1366 CB VAL A 85 -0.782 3.279 -5.357 1.00 52.31 C ATOM 1367 CG1 VAL A 85 -0.041 2.601 -4.198 1.00 41.50 C ATOM 1368 CG2 VAL A 85 0.146 4.357 -6.012 1.00 71.05 C ATOM 0 H VAL A 85 0.456 1.287 -7.077 1.00 1.33 H new ATOM 0 HA VAL A 85 -2.219 1.817 -5.931 1.00 51.31 H new ATOM 0 HB VAL A 85 -1.665 3.808 -5.000 1.00 52.31 H new ATOM 0 HG11 VAL A 85 0.314 3.359 -3.500 1.00 41.50 H new ATOM 0 HG12 VAL A 85 -0.718 1.921 -3.681 1.00 41.50 H new ATOM 0 HG13 VAL A 85 0.808 2.040 -4.588 1.00 41.50 H new ATOM 0 HG21 VAL A 85 0.459 5.076 -5.255 1.00 71.05 H new ATOM 0 HG22 VAL A 85 1.025 3.871 -6.436 1.00 71.05 H new ATOM 0 HG23 VAL A 85 -0.399 4.875 -6.802 1.00 71.05 H new ATOM 1378 N GLU A 86 -2.890 2.960 -7.991 1.00 5.11 N ATOM 1379 CA GLU A 86 -3.337 3.450 -9.292 1.00 3.32 C ATOM 1380 C GLU A 86 -4.105 4.750 -9.151 1.00 11.42 C ATOM 1381 O GLU A 86 -5.040 4.858 -8.357 1.00 54.22 O ATOM 1382 CB GLU A 86 -4.246 2.400 -9.949 1.00 11.43 C ATOM 1383 CG GLU A 86 -5.025 3.028 -11.116 1.00 22.21 C ATOM 1384 CD GLU A 86 -5.507 1.942 -12.073 1.00 63.34 C ATOM 1385 OE1 GLU A 86 -5.959 0.915 -11.594 1.00 62.21 O ATOM 1386 OE2 GLU A 86 -5.415 2.153 -13.271 1.00 63.21 O ATOM 0 H GLU A 86 -3.641 2.781 -7.325 1.00 5.11 H new ATOM 0 HA GLU A 86 -2.457 3.630 -9.910 1.00 3.32 H new ATOM 0 HB2 GLU A 86 -3.647 1.564 -10.310 1.00 11.43 H new ATOM 0 HB3 GLU A 86 -4.942 1.998 -9.212 1.00 11.43 H new ATOM 0 HG2 GLU A 86 -5.877 3.590 -10.733 1.00 22.21 H new ATOM 0 HG3 GLU A 86 -4.389 3.736 -11.648 1.00 22.21 H new ATOM 1393 N VAL A 87 -3.711 5.724 -9.952 1.00 0.33 N ATOM 1394 CA VAL A 87 -4.382 7.020 -9.937 1.00 31.11 C ATOM 1395 C VAL A 87 -5.880 6.821 -10.191 1.00 2.45 C ATOM 1396 O VAL A 87 -6.309 6.610 -11.325 1.00 14.23 O ATOM 1397 CB VAL A 87 -3.767 7.939 -11.003 1.00 63.04 C ATOM 1398 CG1 VAL A 87 -3.477 7.137 -12.275 1.00 51.21 C ATOM 1399 CG2 VAL A 87 -4.730 9.088 -11.329 1.00 34.51 C ATOM 0 H VAL A 87 -2.940 5.649 -10.615 1.00 0.33 H new ATOM 0 HA VAL A 87 -4.250 7.490 -8.962 1.00 31.11 H new ATOM 0 HB VAL A 87 -2.836 8.353 -10.616 1.00 63.04 H new ATOM 0 HG11 VAL A 87 -3.041 7.794 -13.028 1.00 51.21 H new ATOM 0 HG12 VAL A 87 -2.778 6.333 -12.046 1.00 51.21 H new ATOM 0 HG13 VAL A 87 -4.406 6.713 -12.657 1.00 51.21 H new ATOM 0 HG21 VAL A 87 -4.284 9.733 -12.086 1.00 34.51 H new ATOM 0 HG22 VAL A 87 -5.668 8.681 -11.707 1.00 34.51 H new ATOM 0 HG23 VAL A 87 -4.924 9.668 -10.426 1.00 34.51 H new ATOM 1409 N LEU A 88 -6.668 6.873 -9.119 1.00 41.20 N ATOM 1410 CA LEU A 88 -8.117 6.682 -9.215 1.00 43.03 C ATOM 1411 C LEU A 88 -8.828 8.027 -9.381 1.00 34.50 C ATOM 1412 O LEU A 88 -9.958 8.093 -9.861 1.00 31.10 O ATOM 1413 CB LEU A 88 -8.616 5.969 -7.943 1.00 35.44 C ATOM 1414 CG LEU A 88 -9.769 4.999 -8.260 1.00 11.52 C ATOM 1415 CD1 LEU A 88 -10.909 5.754 -8.948 1.00 53.12 C ATOM 1416 CD2 LEU A 88 -9.276 3.854 -9.169 1.00 21.43 C ATOM 0 H LEU A 88 -6.329 7.046 -8.173 1.00 41.20 H new ATOM 0 HA LEU A 88 -8.342 6.071 -10.089 1.00 43.03 H new ATOM 0 HB2 LEU A 88 -7.793 5.421 -7.484 1.00 35.44 H new ATOM 0 HB3 LEU A 88 -8.950 6.709 -7.216 1.00 35.44 H new ATOM 0 HG LEU A 88 -10.132 4.571 -7.325 1.00 11.52 H new ATOM 0 HD11 LEU A 88 -11.722 5.062 -9.170 1.00 53.12 H new ATOM 0 HD12 LEU A 88 -11.273 6.542 -8.289 1.00 53.12 H new ATOM 0 HD13 LEU A 88 -10.545 6.196 -9.876 1.00 53.12 H new ATOM 0 HD21 LEU A 88 -10.103 3.178 -9.383 1.00 21.43 H new ATOM 0 HD22 LEU A 88 -8.895 4.269 -10.102 1.00 21.43 H new ATOM 0 HD23 LEU A 88 -8.480 3.306 -8.664 1.00 21.43 H new ATOM 1428 N ASP A 89 -8.145 9.098 -9.010 1.00 52.04 N ATOM 1429 CA ASP A 89 -8.685 10.445 -9.131 1.00 22.30 C ATOM 1430 C ASP A 89 -7.641 11.419 -8.598 1.00 51.35 C ATOM 1431 O ASP A 89 -7.172 11.277 -7.470 1.00 43.23 O ATOM 1432 CB ASP A 89 -9.995 10.596 -8.337 1.00 5.43 C ATOM 1433 CG ASP A 89 -10.991 11.460 -9.108 1.00 21.30 C ATOM 1434 OD1 ASP A 89 -11.152 11.230 -10.294 1.00 41.13 O ATOM 1435 OD2 ASP A 89 -11.579 12.339 -8.498 1.00 2.35 O ATOM 0 H ASP A 89 -7.204 9.060 -8.618 1.00 52.04 H new ATOM 0 HA ASP A 89 -8.911 10.652 -10.177 1.00 22.30 H new ATOM 0 HB2 ASP A 89 -10.427 9.614 -8.147 1.00 5.43 H new ATOM 0 HB3 ASP A 89 -9.789 11.047 -7.366 1.00 5.43 H new ATOM 1440 N THR A 90 -7.253 12.383 -9.416 1.00 4.01 N ATOM 1441 CA THR A 90 -6.235 13.340 -9.005 1.00 50.20 C ATOM 1442 C THR A 90 -6.443 14.667 -9.745 1.00 53.34 C ATOM 1443 O THR A 90 -6.594 14.694 -10.966 1.00 62.12 O ATOM 1444 CB THR A 90 -4.844 12.709 -9.290 1.00 11.42 C ATOM 1445 OG1 THR A 90 -3.966 12.861 -8.174 1.00 65.02 O ATOM 1446 CG2 THR A 90 -4.193 13.340 -10.523 1.00 13.20 C ATOM 0 H THR A 90 -7.621 12.525 -10.357 1.00 4.01 H new ATOM 0 HA THR A 90 -6.303 13.562 -7.940 1.00 50.20 H new ATOM 0 HB THR A 90 -5.010 11.647 -9.473 1.00 11.42 H new ATOM 0 HG1 THR A 90 -3.198 13.411 -8.435 1.00 65.02 H new ATOM 0 HG21 THR A 90 -3.221 12.879 -10.698 1.00 13.20 H new ATOM 0 HG22 THR A 90 -4.831 13.182 -11.392 1.00 13.20 H new ATOM 0 HG23 THR A 90 -4.062 14.410 -10.358 1.00 13.20 H new ATOM 1454 N ASP A 91 -6.446 15.765 -8.994 1.00 20.02 N ATOM 1455 CA ASP A 91 -6.627 17.091 -9.595 1.00 42.32 C ATOM 1456 C ASP A 91 -5.634 18.070 -8.995 1.00 61.40 C ATOM 1457 O ASP A 91 -5.360 19.134 -9.552 1.00 3.42 O ATOM 1458 CB ASP A 91 -8.053 17.587 -9.346 1.00 65.05 C ATOM 1459 CG ASP A 91 -8.321 18.840 -10.174 1.00 11.04 C ATOM 1460 OD1 ASP A 91 -7.409 19.285 -10.850 1.00 44.42 O ATOM 1461 OD2 ASP A 91 -9.435 19.334 -10.119 1.00 64.23 O ATOM 0 H ASP A 91 -6.327 15.768 -7.981 1.00 20.02 H new ATOM 0 HA ASP A 91 -6.456 17.019 -10.669 1.00 42.32 H new ATOM 0 HB2 ASP A 91 -8.769 16.808 -9.608 1.00 65.05 H new ATOM 0 HB3 ASP A 91 -8.192 17.804 -8.287 1.00 65.05 H new ATOM 1466 N TYR A 92 -5.125 17.695 -7.840 1.00 72.23 N ATOM 1467 CA TYR A 92 -4.177 18.510 -7.098 1.00 13.20 C ATOM 1468 C TYR A 92 -4.718 19.924 -6.897 1.00 10.24 C ATOM 1469 O TYR A 92 -4.033 20.784 -6.344 1.00 24.32 O ATOM 1470 CB TYR A 92 -2.852 18.599 -7.860 1.00 41.21 C ATOM 1471 CG TYR A 92 -2.434 17.236 -8.376 1.00 42.22 C ATOM 1472 CD1 TYR A 92 -2.501 16.104 -7.549 1.00 52.12 C ATOM 1473 CD2 TYR A 92 -1.962 17.112 -9.691 1.00 15.23 C ATOM 1474 CE1 TYR A 92 -2.096 14.857 -8.038 1.00 45.31 C ATOM 1475 CE2 TYR A 92 -1.557 15.863 -10.175 1.00 44.32 C ATOM 1476 CZ TYR A 92 -1.624 14.737 -9.349 1.00 34.02 C ATOM 1477 OH TYR A 92 -1.222 13.509 -9.828 1.00 33.51 O ATOM 0 H TYR A 92 -5.356 16.812 -7.384 1.00 72.23 H new ATOM 0 HA TYR A 92 -4.021 18.041 -6.127 1.00 13.20 H new ATOM 0 HB2 TYR A 92 -2.953 19.293 -8.694 1.00 41.21 H new ATOM 0 HB3 TYR A 92 -2.077 18.998 -7.205 1.00 41.21 H new ATOM 0 HD1 TYR A 92 -2.865 16.195 -6.536 1.00 52.12 H new ATOM 0 HD2 TYR A 92 -1.911 17.981 -10.330 1.00 15.23 H new ATOM 0 HE1 TYR A 92 -2.148 13.986 -7.402 1.00 45.31 H new ATOM 0 HE2 TYR A 92 -1.192 15.769 -11.187 1.00 44.32 H new ATOM 0 HH TYR A 92 -0.923 13.602 -10.757 1.00 33.51 H new ATOM 1487 N LYS A 93 -5.944 20.162 -7.351 1.00 22.31 N ATOM 1488 CA LYS A 93 -6.549 21.481 -7.212 1.00 51.55 C ATOM 1489 C LYS A 93 -7.013 21.682 -5.782 1.00 42.14 C ATOM 1490 O LYS A 93 -6.896 22.772 -5.221 1.00 13.41 O ATOM 1491 CB LYS A 93 -7.739 21.617 -8.164 1.00 71.21 C ATOM 1492 CG LYS A 93 -8.290 23.043 -8.092 1.00 64.03 C ATOM 1493 CD LYS A 93 -9.356 23.238 -9.174 1.00 73.04 C ATOM 1494 CE LYS A 93 -10.558 22.330 -8.894 1.00 51.21 C ATOM 1495 NZ LYS A 93 -11.757 22.865 -9.599 1.00 51.31 N ATOM 0 H LYS A 93 -6.532 19.468 -7.813 1.00 22.31 H new ATOM 0 HA LYS A 93 -5.807 22.239 -7.462 1.00 51.55 H new ATOM 0 HB2 LYS A 93 -7.431 21.386 -9.184 1.00 71.21 H new ATOM 0 HB3 LYS A 93 -8.516 20.901 -7.896 1.00 71.21 H new ATOM 0 HG2 LYS A 93 -8.719 23.228 -7.107 1.00 64.03 H new ATOM 0 HG3 LYS A 93 -7.483 23.763 -8.229 1.00 64.03 H new ATOM 0 HD2 LYS A 93 -9.675 24.280 -9.199 1.00 73.04 H new ATOM 0 HD3 LYS A 93 -8.937 23.009 -10.154 1.00 73.04 H new ATOM 0 HE2 LYS A 93 -10.347 21.315 -9.231 1.00 51.21 H new ATOM 0 HE3 LYS A 93 -10.746 22.278 -7.822 1.00 51.21 H new ATOM 0 HZ1 LYS A 93 -12.574 22.250 -9.410 1.00 51.31 H new ATOM 0 HZ2 LYS A 93 -11.961 23.826 -9.257 1.00 51.31 H new ATOM 0 HZ3 LYS A 93 -11.574 22.893 -10.622 1.00 51.31 H new ATOM 1509 N SER A 94 -7.535 20.613 -5.201 1.00 73.00 N ATOM 1510 CA SER A 94 -8.014 20.654 -3.831 1.00 23.01 C ATOM 1511 C SER A 94 -7.968 19.263 -3.218 1.00 63.33 C ATOM 1512 O SER A 94 -7.978 19.116 -1.996 1.00 12.21 O ATOM 1513 CB SER A 94 -9.448 21.185 -3.795 1.00 22.22 C ATOM 1514 OG SER A 94 -10.245 20.447 -4.712 1.00 61.41 O ATOM 0 H SER A 94 -7.637 19.707 -5.658 1.00 73.00 H new ATOM 0 HA SER A 94 -7.370 21.318 -3.255 1.00 23.01 H new ATOM 0 HB2 SER A 94 -9.856 21.097 -2.788 1.00 22.22 H new ATOM 0 HB3 SER A 94 -9.463 22.244 -4.053 1.00 22.22 H new ATOM 0 HG SER A 94 -10.130 19.488 -4.547 1.00 61.41 H new ATOM 1520 N TYR A 95 -7.928 18.235 -4.068 1.00 21.41 N ATOM 1521 CA TYR A 95 -7.898 16.873 -3.568 1.00 74.45 C ATOM 1522 C TYR A 95 -7.604 15.850 -4.666 1.00 73.30 C ATOM 1523 O TYR A 95 -7.640 16.145 -5.872 1.00 21.12 O ATOM 1524 CB TYR A 95 -9.241 16.541 -2.924 1.00 12.22 C ATOM 1525 CG TYR A 95 -10.341 16.721 -3.943 1.00 4.10 C ATOM 1526 CD1 TYR A 95 -10.607 15.708 -4.871 1.00 4.13 C ATOM 1527 CD2 TYR A 95 -11.092 17.903 -3.961 1.00 42.22 C ATOM 1528 CE1 TYR A 95 -11.624 15.876 -5.818 1.00 30.41 C ATOM 1529 CE2 TYR A 95 -12.109 18.070 -4.908 1.00 41.31 C ATOM 1530 CZ TYR A 95 -12.375 17.057 -5.837 1.00 32.24 C ATOM 1531 OH TYR A 95 -13.377 17.222 -6.771 1.00 14.31 O ATOM 0 H TYR A 95 -7.916 18.323 -5.084 1.00 21.41 H new ATOM 0 HA TYR A 95 -7.091 16.814 -2.838 1.00 74.45 H new ATOM 0 HB2 TYR A 95 -9.236 15.516 -2.554 1.00 12.22 H new ATOM 0 HB3 TYR A 95 -9.416 17.189 -2.065 1.00 12.22 H new ATOM 0 HD1 TYR A 95 -10.028 14.797 -4.857 1.00 4.13 H new ATOM 0 HD2 TYR A 95 -10.887 18.685 -3.245 1.00 42.22 H new ATOM 0 HE1 TYR A 95 -11.829 15.094 -6.534 1.00 30.41 H new ATOM 0 HE2 TYR A 95 -12.689 18.981 -4.922 1.00 41.31 H new ATOM 0 HH TYR A 95 -13.801 18.097 -6.645 1.00 14.31 H new ATOM 1541 N ALA A 96 -7.320 14.635 -4.218 1.00 52.13 N ATOM 1542 CA ALA A 96 -7.038 13.527 -5.117 1.00 33.31 C ATOM 1543 C ALA A 96 -7.467 12.227 -4.449 1.00 51.34 C ATOM 1544 O ALA A 96 -7.268 12.048 -3.247 1.00 74.13 O ATOM 1545 CB ALA A 96 -5.548 13.475 -5.464 1.00 55.32 C ATOM 0 H ALA A 96 -7.279 14.392 -3.228 1.00 52.13 H new ATOM 0 HA ALA A 96 -7.594 13.667 -6.044 1.00 33.31 H new ATOM 0 HB1 ALA A 96 -5.360 12.639 -6.137 1.00 55.32 H new ATOM 0 HB2 ALA A 96 -5.255 14.405 -5.950 1.00 55.32 H new ATOM 0 HB3 ALA A 96 -4.966 13.344 -4.552 1.00 55.32 H new ATOM 1551 N VAL A 97 -8.052 11.322 -5.228 1.00 72.44 N ATOM 1552 CA VAL A 97 -8.502 10.032 -4.686 1.00 13.52 C ATOM 1553 C VAL A 97 -7.771 8.925 -5.411 1.00 72.53 C ATOM 1554 O VAL A 97 -7.691 8.932 -6.639 1.00 70.24 O ATOM 1555 CB VAL A 97 -10.021 9.862 -4.849 1.00 62.23 C ATOM 1556 CG1 VAL A 97 -10.531 8.831 -3.840 1.00 23.52 C ATOM 1557 CG2 VAL A 97 -10.716 11.203 -4.596 1.00 63.21 C ATOM 0 H VAL A 97 -8.227 11.450 -6.225 1.00 72.44 H new ATOM 0 HA VAL A 97 -8.280 9.993 -3.620 1.00 13.52 H new ATOM 0 HB VAL A 97 -10.240 9.522 -5.861 1.00 62.23 H new ATOM 0 HG11 VAL A 97 -11.608 8.711 -3.956 1.00 23.52 H new ATOM 0 HG12 VAL A 97 -10.038 7.875 -4.016 1.00 23.52 H new ATOM 0 HG13 VAL A 97 -10.311 9.172 -2.828 1.00 23.52 H new ATOM 0 HG21 VAL A 97 -11.793 11.082 -4.712 1.00 63.21 H new ATOM 0 HG22 VAL A 97 -10.496 11.542 -3.584 1.00 63.21 H new ATOM 0 HG23 VAL A 97 -10.355 11.941 -5.312 1.00 63.21 H new ATOM 1567 N ILE A 98 -7.179 8.007 -4.659 1.00 33.53 N ATOM 1568 CA ILE A 98 -6.392 6.944 -5.256 1.00 24.44 C ATOM 1569 C ILE A 98 -6.791 5.566 -4.736 1.00 43.24 C ATOM 1570 O ILE A 98 -7.199 5.415 -3.585 1.00 11.30 O ATOM 1571 CB ILE A 98 -4.945 7.224 -4.890 1.00 61.12 C ATOM 1572 CG1 ILE A 98 -4.026 6.152 -5.452 1.00 24.14 C ATOM 1573 CG2 ILE A 98 -4.804 7.243 -3.368 1.00 14.43 C ATOM 1574 CD1 ILE A 98 -2.575 6.574 -5.209 1.00 65.13 C ATOM 0 H ILE A 98 -7.230 7.979 -3.641 1.00 33.53 H new ATOM 0 HA ILE A 98 -6.554 6.929 -6.334 1.00 24.44 H new ATOM 0 HB ILE A 98 -4.664 8.188 -5.313 1.00 61.12 H new ATOM 0 HG12 ILE A 98 -4.226 5.193 -4.973 1.00 24.14 H new ATOM 0 HG13 ILE A 98 -4.208 6.020 -6.519 1.00 24.14 H new ATOM 0 HG21 ILE A 98 -3.766 7.444 -3.101 1.00 14.43 H new ATOM 0 HG22 ILE A 98 -5.443 8.023 -2.953 1.00 14.43 H new ATOM 0 HG23 ILE A 98 -5.102 6.276 -2.963 1.00 14.43 H new ATOM 0 HD11 ILE A 98 -1.903 5.814 -5.607 1.00 65.13 H new ATOM 0 HD12 ILE A 98 -2.384 7.524 -5.708 1.00 65.13 H new ATOM 0 HD13 ILE A 98 -2.403 6.685 -4.138 1.00 65.13 H new ATOM 1586 N TYR A 99 -6.656 4.566 -5.600 1.00 42.22 N ATOM 1587 CA TYR A 99 -6.989 3.192 -5.234 1.00 30.30 C ATOM 1588 C TYR A 99 -5.725 2.453 -4.807 1.00 44.43 C ATOM 1589 O TYR A 99 -4.883 2.107 -5.634 1.00 15.43 O ATOM 1590 CB TYR A 99 -7.623 2.477 -6.430 1.00 65.05 C ATOM 1591 CG TYR A 99 -8.118 1.115 -6.007 1.00 52.20 C ATOM 1592 CD1 TYR A 99 -9.367 0.985 -5.389 1.00 52.24 C ATOM 1593 CD2 TYR A 99 -7.330 -0.019 -6.237 1.00 20.23 C ATOM 1594 CE1 TYR A 99 -9.830 -0.278 -5.002 1.00 13.24 C ATOM 1595 CE2 TYR A 99 -7.792 -1.282 -5.850 1.00 53.13 C ATOM 1596 CZ TYR A 99 -9.041 -1.412 -5.233 1.00 44.45 C ATOM 1597 OH TYR A 99 -9.497 -2.658 -4.853 1.00 54.12 O ATOM 0 H TYR A 99 -6.319 4.679 -6.556 1.00 42.22 H new ATOM 0 HA TYR A 99 -7.697 3.204 -4.405 1.00 30.30 H new ATOM 0 HB2 TYR A 99 -8.450 3.069 -6.823 1.00 65.05 H new ATOM 0 HB3 TYR A 99 -6.893 2.376 -7.234 1.00 65.05 H new ATOM 0 HD1 TYR A 99 -9.974 1.860 -5.211 1.00 52.24 H new ATOM 0 HD2 TYR A 99 -6.366 0.081 -6.713 1.00 20.23 H new ATOM 0 HE1 TYR A 99 -10.794 -0.378 -4.526 1.00 13.24 H new ATOM 0 HE2 TYR A 99 -7.184 -2.157 -6.028 1.00 53.13 H new ATOM 0 HH TYR A 99 -8.829 -3.336 -5.086 1.00 54.12 H new ATOM 1607 N ALA A 100 -5.601 2.225 -3.501 1.00 14.23 N ATOM 1608 CA ALA A 100 -4.434 1.535 -2.951 1.00 62.31 C ATOM 1609 C ALA A 100 -4.801 0.121 -2.516 1.00 51.33 C ATOM 1610 O ALA A 100 -5.815 -0.093 -1.852 1.00 2.34 O ATOM 1611 CB ALA A 100 -3.888 2.317 -1.753 1.00 51.00 C ATOM 0 H ALA A 100 -6.291 2.507 -2.805 1.00 14.23 H new ATOM 0 HA ALA A 100 -3.670 1.474 -3.726 1.00 62.31 H new ATOM 0 HB1 ALA A 100 -3.019 1.800 -1.346 1.00 51.00 H new ATOM 0 HB2 ALA A 100 -3.598 3.318 -2.073 1.00 51.00 H new ATOM 0 HB3 ALA A 100 -4.658 2.391 -0.985 1.00 51.00 H new ATOM 1617 N THR A 101 -3.964 -0.842 -2.893 1.00 10.21 N ATOM 1618 CA THR A 101 -4.204 -2.238 -2.536 1.00 62.12 C ATOM 1619 C THR A 101 -2.891 -2.963 -2.261 1.00 40.43 C ATOM 1620 O THR A 101 -1.925 -2.837 -3.015 1.00 73.41 O ATOM 1621 CB THR A 101 -4.955 -2.949 -3.666 1.00 65.14 C ATOM 1622 OG1 THR A 101 -4.635 -4.333 -3.649 1.00 33.41 O ATOM 1623 CG2 THR A 101 -4.547 -2.347 -5.012 1.00 51.42 C ATOM 0 H THR A 101 -3.119 -0.684 -3.442 1.00 10.21 H new ATOM 0 HA THR A 101 -4.809 -2.256 -1.629 1.00 62.12 H new ATOM 0 HB THR A 101 -6.028 -2.822 -3.524 1.00 65.14 H new ATOM 0 HG1 THR A 101 -5.221 -4.796 -3.014 1.00 33.41 H new ATOM 0 HG21 THR A 101 -5.082 -2.854 -5.815 1.00 51.42 H new ATOM 0 HG22 THR A 101 -4.794 -1.285 -5.026 1.00 51.42 H new ATOM 0 HG23 THR A 101 -3.474 -2.472 -5.156 1.00 51.42 H new ATOM 1631 N ARG A 102 -2.877 -3.735 -1.180 1.00 74.42 N ATOM 1632 CA ARG A 102 -1.697 -4.506 -0.792 1.00 0.04 C ATOM 1633 C ARG A 102 -2.063 -5.979 -0.722 1.00 11.11 C ATOM 1634 O ARG A 102 -3.077 -6.330 -0.120 1.00 62.44 O ATOM 1635 CB ARG A 102 -1.197 -4.043 0.579 1.00 52.14 C ATOM 1636 CG ARG A 102 0.179 -4.654 0.857 1.00 21.50 C ATOM 1637 CD ARG A 102 0.515 -4.508 2.342 1.00 61.15 C ATOM 1638 NE ARG A 102 1.940 -4.731 2.562 1.00 50.41 N ATOM 1639 CZ ARG A 102 2.419 -4.971 3.778 1.00 63.32 C ATOM 1640 NH1 ARG A 102 1.610 -5.012 4.801 1.00 34.10 N ATOM 1641 NH2 ARG A 102 3.698 -5.168 3.949 1.00 0.53 N ATOM 0 H ARG A 102 -3.673 -3.845 -0.552 1.00 74.42 H new ATOM 0 HA ARG A 102 -0.910 -4.354 -1.530 1.00 0.04 H new ATOM 0 HB2 ARG A 102 -1.135 -2.955 0.606 1.00 52.14 H new ATOM 0 HB3 ARG A 102 -1.902 -4.342 1.354 1.00 52.14 H new ATOM 0 HG2 ARG A 102 0.184 -5.707 0.574 1.00 21.50 H new ATOM 0 HG3 ARG A 102 0.937 -4.158 0.252 1.00 21.50 H new ATOM 0 HD2 ARG A 102 0.238 -3.512 2.689 1.00 61.15 H new ATOM 0 HD3 ARG A 102 -0.066 -5.222 2.925 1.00 61.15 H new ATOM 0 HE ARG A 102 2.580 -4.702 1.768 1.00 50.41 H new ATOM 0 HH11 ARG A 102 0.610 -4.860 4.667 1.00 34.10 H new ATOM 0 HH12 ARG A 102 1.977 -5.196 5.735 1.00 34.10 H new ATOM 0 HH21 ARG A 102 4.330 -5.138 3.149 1.00 0.53 H new ATOM 0 HH22 ARG A 102 4.065 -5.352 4.883 1.00 0.53 H new ATOM 1655 N VAL A 103 -1.270 -6.855 -1.346 1.00 33.24 N ATOM 1656 CA VAL A 103 -1.588 -8.283 -1.328 1.00 34.25 C ATOM 1657 C VAL A 103 -0.469 -9.081 -0.673 1.00 1.42 C ATOM 1658 O VAL A 103 0.660 -9.113 -1.163 1.00 43.00 O ATOM 1659 CB VAL A 103 -1.806 -8.776 -2.765 1.00 11.35 C ATOM 1660 CG1 VAL A 103 -0.542 -8.535 -3.599 1.00 12.02 C ATOM 1661 CG2 VAL A 103 -2.136 -10.273 -2.757 1.00 20.31 C ATOM 0 H VAL A 103 -0.423 -6.608 -1.858 1.00 33.24 H new ATOM 0 HA VAL A 103 -2.498 -8.430 -0.746 1.00 34.25 H new ATOM 0 HB VAL A 103 -2.637 -8.225 -3.205 1.00 11.35 H new ATOM 0 HG11 VAL A 103 -0.705 -8.888 -4.617 1.00 12.02 H new ATOM 0 HG12 VAL A 103 -0.315 -7.469 -3.616 1.00 12.02 H new ATOM 0 HG13 VAL A 103 0.294 -9.077 -3.157 1.00 12.02 H new ATOM 0 HG21 VAL A 103 -2.290 -10.617 -3.780 1.00 20.31 H new ATOM 0 HG22 VAL A 103 -1.310 -10.825 -2.309 1.00 20.31 H new ATOM 0 HG23 VAL A 103 -3.043 -10.443 -2.177 1.00 20.31 H new ATOM 1671 N LYS A 104 -0.795 -9.732 0.440 1.00 63.44 N ATOM 1672 CA LYS A 104 0.171 -10.542 1.168 1.00 12.14 C ATOM 1673 C LYS A 104 -0.033 -12.005 0.799 1.00 23.50 C ATOM 1674 O LYS A 104 -1.015 -12.351 0.143 1.00 0.51 O ATOM 1675 CB LYS A 104 -0.017 -10.345 2.680 1.00 34.44 C ATOM 1676 CG LYS A 104 1.276 -10.702 3.421 1.00 31.22 C ATOM 1677 CD LYS A 104 1.105 -10.408 4.914 1.00 15.11 C ATOM 1678 CE LYS A 104 2.473 -10.418 5.598 1.00 64.23 C ATOM 1679 NZ LYS A 104 3.202 -9.161 5.269 1.00 24.35 N ATOM 0 H LYS A 104 -1.726 -9.713 0.857 1.00 63.44 H new ATOM 0 HA LYS A 104 1.183 -10.238 0.902 1.00 12.14 H new ATOM 0 HB2 LYS A 104 -0.292 -9.311 2.889 1.00 34.44 H new ATOM 0 HB3 LYS A 104 -0.835 -10.970 3.037 1.00 34.44 H new ATOM 0 HG2 LYS A 104 1.515 -11.755 3.272 1.00 31.22 H new ATOM 0 HG3 LYS A 104 2.109 -10.126 3.019 1.00 31.22 H new ATOM 0 HD2 LYS A 104 0.625 -9.439 5.052 1.00 15.11 H new ATOM 0 HD3 LYS A 104 0.454 -11.154 5.370 1.00 15.11 H new ATOM 0 HE2 LYS A 104 2.351 -10.508 6.677 1.00 64.23 H new ATOM 0 HE3 LYS A 104 3.050 -11.282 5.269 1.00 64.23 H new ATOM 0 HZ1 LYS A 104 3.974 -9.019 5.951 1.00 24.35 H new ATOM 0 HZ2 LYS A 104 3.596 -9.229 4.309 1.00 24.35 H new ATOM 0 HZ3 LYS A 104 2.545 -8.356 5.317 1.00 24.35 H new ATOM 1693 N ASP A 105 0.891 -12.859 1.203 1.00 70.32 N ATOM 1694 CA ASP A 105 0.778 -14.271 0.877 1.00 14.22 C ATOM 1695 C ASP A 105 -0.542 -14.838 1.393 1.00 14.23 C ATOM 1696 O ASP A 105 -0.732 -15.012 2.597 1.00 31.32 O ATOM 1697 CB ASP A 105 1.947 -15.045 1.489 1.00 60.24 C ATOM 1698 CG ASP A 105 1.880 -14.977 3.011 1.00 75.41 C ATOM 1699 OD1 ASP A 105 1.231 -14.076 3.517 1.00 4.44 O ATOM 1700 OD2 ASP A 105 2.479 -15.827 3.649 1.00 33.33 O ATOM 0 H ASP A 105 1.715 -12.606 1.748 1.00 70.32 H new ATOM 0 HA ASP A 105 0.804 -14.377 -0.208 1.00 14.22 H new ATOM 0 HB2 ASP A 105 1.916 -16.084 1.162 1.00 60.24 H new ATOM 0 HB3 ASP A 105 2.892 -14.629 1.140 1.00 60.24 H new ATOM 1705 N GLY A 106 -1.433 -15.158 0.457 1.00 13.15 N ATOM 1706 CA GLY A 106 -2.726 -15.747 0.798 1.00 73.44 C ATOM 1707 C GLY A 106 -3.783 -14.703 1.159 1.00 33.33 C ATOM 1708 O GLY A 106 -4.934 -15.057 1.415 1.00 50.05 O ATOM 0 H GLY A 106 -1.284 -15.020 -0.542 1.00 13.15 H new ATOM 0 HA2 GLY A 106 -3.082 -16.340 -0.044 1.00 73.44 H new ATOM 0 HA3 GLY A 106 -2.597 -16.431 1.637 1.00 73.44 H new ATOM 1712 N ARG A 107 -3.405 -13.424 1.198 1.00 61.34 N ATOM 1713 CA ARG A 107 -4.365 -12.371 1.555 1.00 32.10 C ATOM 1714 C ARG A 107 -4.302 -11.187 0.591 1.00 31.24 C ATOM 1715 O ARG A 107 -3.224 -10.760 0.179 1.00 53.22 O ATOM 1716 CB ARG A 107 -4.081 -11.878 2.975 1.00 43.32 C ATOM 1717 CG ARG A 107 -4.144 -13.057 3.948 1.00 74.41 C ATOM 1718 CD ARG A 107 -3.873 -12.561 5.369 1.00 21.00 C ATOM 1719 NE ARG A 107 -3.623 -13.689 6.259 1.00 72.23 N ATOM 1720 CZ ARG A 107 -4.626 -14.390 6.779 1.00 10.22 C ATOM 1721 NH1 ARG A 107 -5.859 -14.073 6.494 1.00 3.11 N ATOM 1722 NH2 ARG A 107 -4.376 -15.394 7.573 1.00 13.14 N ATOM 0 H ARG A 107 -2.462 -13.094 0.992 1.00 61.34 H new ATOM 0 HA ARG A 107 -5.364 -12.803 1.493 1.00 32.10 H new ATOM 0 HB2 ARG A 107 -3.098 -11.409 3.019 1.00 43.32 H new ATOM 0 HB3 ARG A 107 -4.809 -11.119 3.260 1.00 43.32 H new ATOM 0 HG2 ARG A 107 -5.124 -13.532 3.898 1.00 74.41 H new ATOM 0 HG3 ARG A 107 -3.409 -13.812 3.669 1.00 74.41 H new ATOM 0 HD2 ARG A 107 -3.013 -11.891 5.370 1.00 21.00 H new ATOM 0 HD3 ARG A 107 -4.726 -11.986 5.730 1.00 21.00 H new ATOM 0 HE ARG A 107 -2.662 -13.945 6.486 1.00 72.23 H new ATOM 0 HH11 ARG A 107 -6.053 -13.288 5.873 1.00 3.11 H new ATOM 0 HH12 ARG A 107 -6.629 -14.610 6.893 1.00 3.11 H new ATOM 0 HH21 ARG A 107 -3.412 -15.641 7.795 1.00 13.14 H new ATOM 0 HH22 ARG A 107 -5.145 -15.932 7.972 1.00 13.14 H new ATOM 1736 N THR A 108 -5.479 -10.653 0.259 1.00 44.21 N ATOM 1737 CA THR A 108 -5.593 -9.500 -0.636 1.00 51.51 C ATOM 1738 C THR A 108 -6.230 -8.334 0.116 1.00 31.44 C ATOM 1739 O THR A 108 -6.977 -8.548 1.070 1.00 64.10 O ATOM 1740 CB THR A 108 -6.456 -9.861 -1.848 1.00 3.05 C ATOM 1741 OG1 THR A 108 -5.926 -11.020 -2.477 1.00 63.31 O ATOM 1742 CG2 THR A 108 -6.460 -8.696 -2.841 1.00 74.04 C ATOM 0 H THR A 108 -6.374 -11.004 0.600 1.00 44.21 H new ATOM 0 HA THR A 108 -4.599 -9.214 -0.980 1.00 51.51 H new ATOM 0 HB THR A 108 -7.477 -10.059 -1.521 1.00 3.05 H new ATOM 0 HG1 THR A 108 -6.479 -11.253 -3.252 1.00 63.31 H new ATOM 0 HG21 THR A 108 -7.075 -8.955 -3.703 1.00 74.04 H new ATOM 0 HG22 THR A 108 -6.868 -7.808 -2.358 1.00 74.04 H new ATOM 0 HG23 THR A 108 -5.440 -8.495 -3.170 1.00 74.04 H new ATOM 1750 N LEU A 109 -5.928 -7.101 -0.293 1.00 32.24 N ATOM 1751 CA LEU A 109 -6.490 -5.936 0.395 1.00 43.31 C ATOM 1752 C LEU A 109 -6.687 -4.759 -0.536 1.00 74.01 C ATOM 1753 O LEU A 109 -5.925 -4.549 -1.480 1.00 63.20 O ATOM 1754 CB LEU A 109 -5.551 -5.499 1.513 1.00 62.54 C ATOM 1755 CG LEU A 109 -6.152 -4.338 2.317 1.00 51.30 C ATOM 1756 CD1 LEU A 109 -7.458 -4.779 2.994 1.00 75.30 C ATOM 1757 CD2 LEU A 109 -5.141 -3.910 3.383 1.00 33.50 C ATOM 0 H LEU A 109 -5.313 -6.884 -1.077 1.00 32.24 H new ATOM 0 HA LEU A 109 -7.461 -6.237 0.787 1.00 43.31 H new ATOM 0 HB2 LEU A 109 -5.354 -6.341 2.176 1.00 62.54 H new ATOM 0 HB3 LEU A 109 -4.593 -5.195 1.090 1.00 62.54 H new ATOM 0 HG LEU A 109 -6.372 -3.506 1.648 1.00 51.30 H new ATOM 0 HD11 LEU A 109 -7.873 -3.946 3.561 1.00 75.30 H new ATOM 0 HD12 LEU A 109 -8.173 -5.094 2.234 1.00 75.30 H new ATOM 0 HD13 LEU A 109 -7.255 -5.611 3.668 1.00 75.30 H new ATOM 0 HD21 LEU A 109 -5.552 -3.085 3.964 1.00 33.50 H new ATOM 0 HD22 LEU A 109 -4.932 -4.751 4.044 1.00 33.50 H new ATOM 0 HD23 LEU A 109 -4.218 -3.589 2.901 1.00 33.50 H new ATOM 1769 N HIS A 110 -7.701 -3.968 -0.216 1.00 5.55 N ATOM 1770 CA HIS A 110 -7.995 -2.770 -0.976 1.00 51.43 C ATOM 1771 C HIS A 110 -8.370 -1.638 -0.026 1.00 72.13 C ATOM 1772 O HIS A 110 -9.015 -1.871 0.996 1.00 42.32 O ATOM 1773 CB HIS A 110 -9.133 -3.025 -1.966 1.00 64.03 C ATOM 1774 CG HIS A 110 -10.392 -3.348 -1.210 1.00 42.45 C ATOM 1775 ND1 HIS A 110 -10.704 -4.637 -0.809 1.00 33.35 N ATOM 1776 CD2 HIS A 110 -11.428 -2.559 -0.774 1.00 54.02 C ATOM 1777 CE1 HIS A 110 -11.883 -4.586 -0.163 1.00 31.11 C ATOM 1778 NE2 HIS A 110 -12.368 -3.343 -0.113 1.00 22.10 N ATOM 0 H HIS A 110 -8.333 -4.138 0.567 1.00 5.55 H new ATOM 0 HA HIS A 110 -7.107 -2.487 -1.541 1.00 51.43 H new ATOM 0 HB2 HIS A 110 -9.288 -2.147 -2.593 1.00 64.03 H new ATOM 0 HB3 HIS A 110 -8.873 -3.849 -2.630 1.00 64.03 H new ATOM 0 HD1 HIS A 110 -10.142 -5.472 -0.974 1.00 33.35 H new ATOM 0 HD2 HIS A 110 -11.502 -1.492 -0.922 1.00 54.02 H new ATOM 0 HE1 HIS A 110 -12.377 -5.446 0.264 1.00 31.11 H new ATOM 1786 N MET A 111 -7.973 -0.410 -0.360 1.00 32.11 N ATOM 1787 CA MET A 111 -8.289 0.736 0.483 1.00 23.14 C ATOM 1788 C MET A 111 -8.250 2.026 -0.338 1.00 31.31 C ATOM 1789 O MET A 111 -7.495 2.133 -1.305 1.00 64.53 O ATOM 1790 CB MET A 111 -7.291 0.825 1.645 1.00 62.50 C ATOM 1791 CG MET A 111 -5.893 0.435 1.157 1.00 65.01 C ATOM 1792 SD MET A 111 -4.712 0.595 2.520 1.00 35.14 S ATOM 1793 CE MET A 111 -4.829 2.390 2.728 1.00 3.04 C ATOM 0 H MET A 111 -7.438 -0.187 -1.199 1.00 32.11 H new ATOM 0 HA MET A 111 -9.294 0.607 0.886 1.00 23.14 H new ATOM 0 HB2 MET A 111 -7.277 1.838 2.048 1.00 62.50 H new ATOM 0 HB3 MET A 111 -7.601 0.165 2.455 1.00 62.50 H new ATOM 0 HG2 MET A 111 -5.899 -0.589 0.785 1.00 65.01 H new ATOM 0 HG3 MET A 111 -5.595 1.074 0.326 1.00 65.01 H new ATOM 0 HE1 MET A 111 -3.948 2.753 3.257 1.00 3.04 H new ATOM 0 HE2 MET A 111 -4.887 2.867 1.749 1.00 3.04 H new ATOM 0 HE3 MET A 111 -5.723 2.632 3.303 1.00 3.04 H new ATOM 1803 N MET A 112 -9.057 3.008 0.060 1.00 43.15 N ATOM 1804 CA MET A 112 -9.099 4.295 -0.637 1.00 44.31 C ATOM 1805 C MET A 112 -8.429 5.371 0.212 1.00 65.34 C ATOM 1806 O MET A 112 -8.529 5.352 1.438 1.00 35.42 O ATOM 1807 CB MET A 112 -10.553 4.692 -0.914 1.00 33.34 C ATOM 1808 CG MET A 112 -10.590 5.882 -1.872 1.00 72.23 C ATOM 1809 SD MET A 112 -10.219 5.313 -3.551 1.00 71.13 S ATOM 1810 CE MET A 112 -11.927 5.162 -4.130 1.00 71.15 C ATOM 0 H MET A 112 -9.689 2.939 0.858 1.00 43.15 H new ATOM 0 HA MET A 112 -8.565 4.200 -1.583 1.00 44.31 H new ATOM 0 HB2 MET A 112 -11.094 3.849 -1.345 1.00 33.34 H new ATOM 0 HB3 MET A 112 -11.054 4.949 0.019 1.00 33.34 H new ATOM 0 HG2 MET A 112 -11.572 6.355 -1.845 1.00 72.23 H new ATOM 0 HG3 MET A 112 -9.865 6.635 -1.563 1.00 72.23 H new ATOM 0 HE1 MET A 112 -11.976 4.422 -4.929 1.00 71.15 H new ATOM 0 HE2 MET A 112 -12.565 4.847 -3.304 1.00 71.15 H new ATOM 0 HE3 MET A 112 -12.270 6.126 -4.507 1.00 71.15 H new ATOM 1820 N ARG A 113 -7.743 6.311 -0.443 1.00 72.31 N ATOM 1821 CA ARG A 113 -7.060 7.389 0.276 1.00 74.31 C ATOM 1822 C ARG A 113 -7.410 8.749 -0.313 1.00 45.20 C ATOM 1823 O ARG A 113 -7.362 8.945 -1.528 1.00 50.24 O ATOM 1824 CB ARG A 113 -5.546 7.181 0.214 1.00 21.21 C ATOM 1825 CG ARG A 113 -5.162 5.963 1.058 1.00 30.34 C ATOM 1826 CD ARG A 113 -3.649 5.744 0.979 1.00 72.50 C ATOM 1827 NE ARG A 113 -3.212 4.850 2.046 1.00 40.45 N ATOM 1828 CZ ARG A 113 -3.023 5.298 3.283 1.00 21.02 C ATOM 1829 NH1 ARG A 113 -3.233 6.556 3.560 1.00 14.40 N ATOM 1830 NH2 ARG A 113 -2.628 4.481 4.220 1.00 74.45 N ATOM 0 H ARG A 113 -7.646 6.348 -1.458 1.00 72.31 H new ATOM 0 HA ARG A 113 -7.392 7.365 1.314 1.00 74.31 H new ATOM 0 HB2 ARG A 113 -5.231 7.035 -0.819 1.00 21.21 H new ATOM 0 HB3 ARG A 113 -5.031 8.068 0.582 1.00 21.21 H new ATOM 0 HG2 ARG A 113 -5.465 6.115 2.094 1.00 30.34 H new ATOM 0 HG3 ARG A 113 -5.688 5.078 0.699 1.00 30.34 H new ATOM 0 HD2 ARG A 113 -3.386 5.321 0.010 1.00 72.50 H new ATOM 0 HD3 ARG A 113 -3.131 6.700 1.061 1.00 72.50 H new ATOM 0 HE ARG A 113 -3.049 3.865 1.839 1.00 40.45 H new ATOM 0 HH11 ARG A 113 -3.542 7.195 2.827 1.00 14.40 H new ATOM 0 HH12 ARG A 113 -3.088 6.900 4.509 1.00 14.40 H new ATOM 0 HH21 ARG A 113 -2.464 3.498 4.004 1.00 74.45 H new ATOM 0 HH22 ARG A 113 -2.483 4.825 5.169 1.00 74.45 H new ATOM 1844 N LEU A 114 -7.760 9.692 0.564 1.00 61.04 N ATOM 1845 CA LEU A 114 -8.119 11.044 0.144 1.00 14.24 C ATOM 1846 C LEU A 114 -7.028 12.027 0.547 1.00 31.42 C ATOM 1847 O LEU A 114 -6.630 12.094 1.726 1.00 44.40 O ATOM 1848 CB LEU A 114 -9.451 11.455 0.790 1.00 14.30 C ATOM 1849 CG LEU A 114 -9.699 12.966 0.625 1.00 15.14 C ATOM 1850 CD1 LEU A 114 -9.888 13.300 -0.858 1.00 31.15 C ATOM 1851 CD2 LEU A 114 -10.954 13.370 1.412 1.00 4.03 C ATOM 0 H LEU A 114 -7.802 9.541 1.572 1.00 61.04 H new ATOM 0 HA LEU A 114 -8.225 11.058 -0.941 1.00 14.24 H new ATOM 0 HB2 LEU A 114 -10.268 10.896 0.334 1.00 14.30 H new ATOM 0 HB3 LEU A 114 -9.441 11.198 1.849 1.00 14.30 H new ATOM 0 HG LEU A 114 -8.840 13.517 1.009 1.00 15.14 H new ATOM 0 HD11 LEU A 114 -10.063 14.370 -0.971 1.00 31.15 H new ATOM 0 HD12 LEU A 114 -8.992 13.019 -1.411 1.00 31.15 H new ATOM 0 HD13 LEU A 114 -10.744 12.749 -1.249 1.00 31.15 H new ATOM 0 HD21 LEU A 114 -11.129 14.440 1.295 1.00 4.03 H new ATOM 0 HD22 LEU A 114 -11.814 12.818 1.033 1.00 4.03 H new ATOM 0 HD23 LEU A 114 -10.811 13.139 2.468 1.00 4.03 H new ATOM 1863 N TYR A 115 -6.554 12.772 -0.456 1.00 63.52 N ATOM 1864 CA TYR A 115 -5.502 13.764 -0.268 1.00 21.22 C ATOM 1865 C TYR A 115 -6.070 15.179 -0.333 1.00 10.04 C ATOM 1866 O TYR A 115 -7.131 15.411 -0.914 1.00 23.43 O ATOM 1867 CB TYR A 115 -4.456 13.638 -1.380 1.00 1.41 C ATOM 1868 CG TYR A 115 -3.673 12.353 -1.249 1.00 3.33 C ATOM 1869 CD1 TYR A 115 -4.324 11.116 -1.349 1.00 32.21 C ATOM 1870 CD2 TYR A 115 -2.289 12.399 -1.037 1.00 4.12 C ATOM 1871 CE1 TYR A 115 -3.591 9.932 -1.231 1.00 64.53 C ATOM 1872 CE2 TYR A 115 -1.560 11.214 -0.923 1.00 25.53 C ATOM 1873 CZ TYR A 115 -2.211 9.982 -1.019 1.00 51.04 C ATOM 1874 OH TYR A 115 -1.494 8.815 -0.885 1.00 14.15 O ATOM 0 H TYR A 115 -6.890 12.702 -1.416 1.00 63.52 H new ATOM 0 HA TYR A 115 -5.054 13.585 0.710 1.00 21.22 H new ATOM 0 HB2 TYR A 115 -4.949 13.669 -2.352 1.00 1.41 H new ATOM 0 HB3 TYR A 115 -3.775 14.488 -1.340 1.00 1.41 H new ATOM 0 HD1 TYR A 115 -5.390 11.078 -1.517 1.00 32.21 H new ATOM 0 HD2 TYR A 115 -1.786 13.352 -0.962 1.00 4.12 H new ATOM 0 HE1 TYR A 115 -4.092 8.978 -1.304 1.00 64.53 H new ATOM 0 HE2 TYR A 115 -0.493 11.250 -0.761 1.00 25.53 H new ATOM 0 HH TYR A 115 -1.955 8.218 -0.260 1.00 14.15 H new ATOM 1884 N SER A 116 -5.319 16.123 0.233 1.00 74.05 N ATOM 1885 CA SER A 116 -5.698 17.534 0.220 1.00 63.32 C ATOM 1886 C SER A 116 -4.488 18.366 -0.179 1.00 70.03 C ATOM 1887 O SER A 116 -3.384 18.123 0.305 1.00 51.32 O ATOM 1888 CB SER A 116 -6.172 17.976 1.604 1.00 52.55 C ATOM 1889 OG SER A 116 -6.459 19.367 1.574 1.00 71.21 O ATOM 0 H SER A 116 -4.438 15.933 0.710 1.00 74.05 H new ATOM 0 HA SER A 116 -6.511 17.676 -0.492 1.00 63.32 H new ATOM 0 HB2 SER A 116 -7.060 17.415 1.894 1.00 52.55 H new ATOM 0 HB3 SER A 116 -5.405 17.766 2.349 1.00 52.55 H new ATOM 0 HG SER A 116 -6.452 19.722 2.487 1.00 71.21 H new ATOM 1895 N ARG A 117 -4.680 19.345 -1.053 1.00 11.35 N ATOM 1896 CA ARG A 117 -3.566 20.182 -1.477 1.00 33.24 C ATOM 1897 C ARG A 117 -3.128 21.091 -0.337 1.00 50.25 C ATOM 1898 O ARG A 117 -2.032 21.649 -0.357 1.00 21.22 O ATOM 1899 CB ARG A 117 -3.983 21.029 -2.682 1.00 50.51 C ATOM 1900 CG ARG A 117 -2.738 21.588 -3.389 1.00 33.11 C ATOM 1901 CD ARG A 117 -1.937 20.454 -4.053 1.00 64.31 C ATOM 1902 NE ARG A 117 -0.871 20.003 -3.166 1.00 40.24 N ATOM 1903 CZ ARG A 117 0.231 20.725 -2.993 1.00 21.21 C ATOM 1904 NH1 ARG A 117 0.375 21.858 -3.624 1.00 55.52 N ATOM 1905 NH2 ARG A 117 1.169 20.300 -2.193 1.00 15.21 N ATOM 0 H ARG A 117 -5.579 19.577 -1.476 1.00 11.35 H new ATOM 0 HA ARG A 117 -2.731 19.541 -1.759 1.00 33.24 H new ATOM 0 HB2 ARG A 117 -4.565 20.425 -3.377 1.00 50.51 H new ATOM 0 HB3 ARG A 117 -4.625 21.848 -2.357 1.00 50.51 H new ATOM 0 HG2 ARG A 117 -3.037 22.318 -4.141 1.00 33.11 H new ATOM 0 HG3 ARG A 117 -2.109 22.112 -2.669 1.00 33.11 H new ATOM 0 HD2 ARG A 117 -2.600 19.621 -4.290 1.00 64.31 H new ATOM 0 HD3 ARG A 117 -1.513 20.802 -4.995 1.00 64.31 H new ATOM 0 HE ARG A 117 -0.973 19.118 -2.670 1.00 40.24 H new ATOM 0 HH11 ARG A 117 -0.359 22.190 -4.250 1.00 55.52 H new ATOM 0 HH12 ARG A 117 1.221 22.412 -3.491 1.00 55.52 H new ATOM 0 HH21 ARG A 117 1.057 19.414 -1.701 1.00 15.21 H new ATOM 0 HH22 ARG A 117 2.015 20.854 -2.060 1.00 15.21 H new ATOM 1919 N SER A 118 -3.999 21.232 0.658 1.00 74.34 N ATOM 1920 CA SER A 118 -3.708 22.075 1.814 1.00 64.21 C ATOM 1921 C SER A 118 -4.219 21.405 3.094 1.00 53.13 C ATOM 1922 O SER A 118 -5.260 20.749 3.077 1.00 61.44 O ATOM 1923 CB SER A 118 -4.387 23.434 1.641 1.00 43.25 C ATOM 1924 OG SER A 118 -4.208 24.206 2.821 1.00 11.11 O ATOM 0 H SER A 118 -4.910 20.775 0.688 1.00 74.34 H new ATOM 0 HA SER A 118 -2.630 22.214 1.891 1.00 64.21 H new ATOM 0 HB2 SER A 118 -3.964 23.957 0.783 1.00 43.25 H new ATOM 0 HB3 SER A 118 -5.450 23.299 1.440 1.00 43.25 H new ATOM 0 HG SER A 118 -4.641 25.078 2.710 1.00 11.11 H new ATOM 1930 N PRO A 119 -3.518 21.554 4.194 1.00 0.43 N ATOM 1931 CA PRO A 119 -3.923 20.949 5.494 1.00 21.24 C ATOM 1932 C PRO A 119 -5.439 20.965 5.704 1.00 71.42 C ATOM 1933 O PRO A 119 -5.973 20.181 6.488 1.00 43.03 O ATOM 1934 CB PRO A 119 -3.217 21.836 6.520 1.00 31.21 C ATOM 1935 CG PRO A 119 -1.971 22.310 5.836 1.00 2.13 C ATOM 1936 CD PRO A 119 -2.258 22.309 4.327 1.00 63.14 C ATOM 0 HA PRO A 119 -3.651 19.896 5.562 1.00 21.24 H new ATOM 0 HB2 PRO A 119 -3.847 22.675 6.816 1.00 31.21 H new ATOM 0 HB3 PRO A 119 -2.981 21.279 7.427 1.00 31.21 H new ATOM 0 HG2 PRO A 119 -1.701 23.310 6.176 1.00 2.13 H new ATOM 0 HG3 PRO A 119 -1.131 21.656 6.069 1.00 2.13 H new ATOM 0 HD2 PRO A 119 -2.360 23.323 3.941 1.00 63.14 H new ATOM 0 HD3 PRO A 119 -1.450 21.835 3.769 1.00 63.14 H new ATOM 1944 N GLU A 120 -6.125 21.864 5.003 1.00 72.12 N ATOM 1945 CA GLU A 120 -7.569 21.975 5.122 1.00 62.41 C ATOM 1946 C GLU A 120 -8.260 21.035 4.146 1.00 62.33 C ATOM 1947 O GLU A 120 -7.670 20.593 3.163 1.00 4.55 O ATOM 1948 CB GLU A 120 -8.003 23.410 4.829 1.00 62.22 C ATOM 1949 CG GLU A 120 -7.127 24.382 5.621 1.00 22.25 C ATOM 1950 CD GLU A 120 -7.629 25.809 5.432 1.00 21.55 C ATOM 1951 OE1 GLU A 120 -8.470 26.012 4.571 1.00 33.55 O ATOM 1952 OE2 GLU A 120 -7.166 26.680 6.151 1.00 20.31 O ATOM 0 H GLU A 120 -5.702 22.523 4.349 1.00 72.12 H new ATOM 0 HA GLU A 120 -7.853 21.703 6.139 1.00 62.41 H new ATOM 0 HB2 GLU A 120 -7.919 23.615 3.762 1.00 62.22 H new ATOM 0 HB3 GLU A 120 -9.050 23.546 5.098 1.00 62.22 H new ATOM 0 HG2 GLU A 120 -7.143 24.119 6.679 1.00 22.25 H new ATOM 0 HG3 GLU A 120 -6.092 24.305 5.289 1.00 22.25 H new ATOM 1959 N VAL A 121 -9.519 20.746 4.432 1.00 43.13 N ATOM 1960 CA VAL A 121 -10.322 19.862 3.588 1.00 34.10 C ATOM 1961 C VAL A 121 -11.515 20.619 3.012 1.00 41.10 C ATOM 1962 O VAL A 121 -12.196 21.358 3.724 1.00 4.10 O ATOM 1963 CB VAL A 121 -10.821 18.666 4.407 1.00 43.22 C ATOM 1964 CG1 VAL A 121 -9.702 17.631 4.540 1.00 1.10 C ATOM 1965 CG2 VAL A 121 -11.239 19.145 5.800 1.00 13.23 C ATOM 0 H VAL A 121 -10.014 21.111 5.246 1.00 43.13 H new ATOM 0 HA VAL A 121 -9.699 19.504 2.769 1.00 34.10 H new ATOM 0 HB VAL A 121 -11.675 18.212 3.903 1.00 43.22 H new ATOM 0 HG11 VAL A 121 -10.059 16.782 5.123 1.00 1.10 H new ATOM 0 HG12 VAL A 121 -9.402 17.291 3.549 1.00 1.10 H new ATOM 0 HG13 VAL A 121 -8.847 18.082 5.043 1.00 1.10 H new ATOM 0 HG21 VAL A 121 -11.594 18.297 6.385 1.00 13.23 H new ATOM 0 HG22 VAL A 121 -10.383 19.598 6.301 1.00 13.23 H new ATOM 0 HG23 VAL A 121 -12.037 19.882 5.707 1.00 13.23 H new ATOM 1975 N SER A 122 -11.763 20.428 1.720 1.00 61.21 N ATOM 1976 CA SER A 122 -12.881 21.095 1.055 1.00 2.45 C ATOM 1977 C SER A 122 -14.101 20.169 1.009 1.00 21.04 C ATOM 1978 O SER A 122 -13.972 18.995 0.663 1.00 4.24 O ATOM 1979 CB SER A 122 -12.480 21.477 -0.371 1.00 24.24 C ATOM 1980 OG SER A 122 -11.849 20.367 -0.994 1.00 22.40 O ATOM 0 H SER A 122 -11.210 19.821 1.115 1.00 61.21 H new ATOM 0 HA SER A 122 -13.137 21.993 1.617 1.00 2.45 H new ATOM 0 HB2 SER A 122 -13.360 21.777 -0.941 1.00 24.24 H new ATOM 0 HB3 SER A 122 -11.804 22.332 -0.354 1.00 24.24 H new ATOM 0 HG SER A 122 -11.879 20.477 -1.967 1.00 22.40 H new ATOM 1986 N PRO A 123 -15.278 20.656 1.342 1.00 40.21 N ATOM 1987 CA PRO A 123 -16.516 19.826 1.322 1.00 41.25 C ATOM 1988 C PRO A 123 -16.561 18.880 0.121 1.00 75.13 C ATOM 1989 O PRO A 123 -17.145 17.799 0.192 1.00 61.11 O ATOM 1990 CB PRO A 123 -17.634 20.866 1.245 1.00 40.21 C ATOM 1991 CG PRO A 123 -17.093 22.071 1.947 1.00 12.51 C ATOM 1992 CD PRO A 123 -15.567 22.038 1.773 1.00 22.11 C ATOM 0 HA PRO A 123 -16.590 19.172 2.191 1.00 41.25 H new ATOM 0 HB2 PRO A 123 -17.890 21.094 0.210 1.00 40.21 H new ATOM 0 HB3 PRO A 123 -18.543 20.504 1.726 1.00 40.21 H new ATOM 0 HG2 PRO A 123 -17.511 22.985 1.524 1.00 12.51 H new ATOM 0 HG3 PRO A 123 -17.362 22.056 3.003 1.00 12.51 H new ATOM 0 HD2 PRO A 123 -15.236 22.764 1.030 1.00 22.11 H new ATOM 0 HD3 PRO A 123 -15.055 22.279 2.705 1.00 22.11 H new ATOM 2000 N ALA A 124 -15.940 19.297 -0.977 1.00 21.10 N ATOM 2001 CA ALA A 124 -15.914 18.483 -2.187 1.00 43.15 C ATOM 2002 C ALA A 124 -14.907 17.344 -2.052 1.00 72.30 C ATOM 2003 O ALA A 124 -15.107 16.257 -2.593 1.00 20.22 O ATOM 2004 CB ALA A 124 -15.545 19.351 -3.391 1.00 32.13 C ATOM 0 H ALA A 124 -15.451 20.189 -1.054 1.00 21.10 H new ATOM 0 HA ALA A 124 -16.906 18.057 -2.334 1.00 43.15 H new ATOM 0 HB1 ALA A 124 -15.528 18.736 -4.291 1.00 32.13 H new ATOM 0 HB2 ALA A 124 -16.283 20.144 -3.508 1.00 32.13 H new ATOM 0 HB3 ALA A 124 -14.561 19.792 -3.234 1.00 32.13 H new ATOM 2010 N ALA A 125 -13.822 17.607 -1.333 1.00 64.13 N ATOM 2011 CA ALA A 125 -12.778 16.606 -1.136 1.00 1.50 C ATOM 2012 C ALA A 125 -13.280 15.442 -0.290 1.00 25.33 C ATOM 2013 O ALA A 125 -13.081 14.280 -0.635 1.00 32.23 O ATOM 2014 CB ALA A 125 -11.579 17.248 -0.438 1.00 75.12 C ATOM 0 H ALA A 125 -13.642 18.502 -0.878 1.00 64.13 H new ATOM 0 HA ALA A 125 -12.487 16.224 -2.115 1.00 1.50 H new ATOM 0 HB1 ALA A 125 -10.800 16.500 -0.291 1.00 75.12 H new ATOM 0 HB2 ALA A 125 -11.191 18.060 -1.054 1.00 75.12 H new ATOM 0 HB3 ALA A 125 -11.890 17.643 0.529 1.00 75.12 H new ATOM 2020 N THR A 126 -13.935 15.768 0.813 1.00 20.14 N ATOM 2021 CA THR A 126 -14.470 14.746 1.707 1.00 3.30 C ATOM 2022 C THR A 126 -15.712 14.091 1.099 1.00 23.33 C ATOM 2023 O THR A 126 -15.995 12.920 1.348 1.00 43.03 O ATOM 2024 CB THR A 126 -14.807 15.363 3.079 1.00 22.42 C ATOM 2025 OG1 THR A 126 -14.027 16.536 3.267 1.00 2.41 O ATOM 2026 CG2 THR A 126 -14.493 14.359 4.200 1.00 4.03 C ATOM 0 H THR A 126 -14.110 16.727 1.112 1.00 20.14 H new ATOM 0 HA THR A 126 -13.710 13.976 1.844 1.00 3.30 H new ATOM 0 HB THR A 126 -15.868 15.612 3.110 1.00 22.42 H new ATOM 0 HG1 THR A 126 -14.239 16.934 4.137 1.00 2.41 H new ATOM 0 HG21 THR A 126 -14.734 14.804 5.165 1.00 4.03 H new ATOM 0 HG22 THR A 126 -15.088 13.457 4.058 1.00 4.03 H new ATOM 0 HG23 THR A 126 -13.434 14.103 4.173 1.00 4.03 H new ATOM 2034 N ALA A 127 -16.468 14.871 0.334 1.00 75.53 N ATOM 2035 CA ALA A 127 -17.705 14.391 -0.278 1.00 74.44 C ATOM 2036 C ALA A 127 -17.476 13.480 -1.483 1.00 64.32 C ATOM 2037 O ALA A 127 -18.035 12.387 -1.549 1.00 31.01 O ATOM 2038 CB ALA A 127 -18.515 15.586 -0.728 1.00 74.43 C ATOM 0 H ALA A 127 -16.246 15.843 0.121 1.00 75.53 H new ATOM 0 HA ALA A 127 -18.226 13.801 0.476 1.00 74.44 H new ATOM 0 HB1 ALA A 127 -19.443 15.245 -1.188 1.00 74.43 H new ATOM 0 HB2 ALA A 127 -18.746 16.214 0.133 1.00 74.43 H new ATOM 0 HB3 ALA A 127 -17.941 16.162 -1.454 1.00 74.43 H new ATOM 2044 N ILE A 128 -16.640 13.913 -2.426 1.00 41.33 N ATOM 2045 CA ILE A 128 -16.362 13.085 -3.582 1.00 21.54 C ATOM 2046 C ILE A 128 -15.784 11.785 -3.059 1.00 1.11 C ATOM 2047 O ILE A 128 -16.060 10.691 -3.552 1.00 31.32 O ATOM 2048 CB ILE A 128 -15.380 13.827 -4.508 1.00 42.31 C ATOM 2049 CG1 ILE A 128 -15.585 13.375 -5.950 1.00 14.43 C ATOM 2050 CG2 ILE A 128 -13.921 13.576 -4.098 1.00 32.51 C ATOM 2051 CD1 ILE A 128 -15.504 11.848 -6.047 1.00 15.02 C ATOM 0 H ILE A 128 -16.157 14.811 -2.409 1.00 41.33 H new ATOM 0 HA ILE A 128 -17.256 12.873 -4.168 1.00 21.54 H new ATOM 0 HB ILE A 128 -15.582 14.895 -4.420 1.00 42.31 H new ATOM 0 HG12 ILE A 128 -16.555 13.718 -6.311 1.00 14.43 H new ATOM 0 HG13 ILE A 128 -14.828 13.827 -6.591 1.00 14.43 H new ATOM 0 HG21 ILE A 128 -13.256 14.115 -4.773 1.00 32.51 H new ATOM 0 HG22 ILE A 128 -13.764 13.926 -3.078 1.00 32.51 H new ATOM 0 HG23 ILE A 128 -13.706 12.509 -4.152 1.00 32.51 H new ATOM 0 HD11 ILE A 128 -15.652 11.541 -7.082 1.00 15.02 H new ATOM 0 HD12 ILE A 128 -14.524 11.513 -5.706 1.00 15.02 H new ATOM 0 HD13 ILE A 128 -16.278 11.402 -5.422 1.00 15.02 H new ATOM 2063 N PHE A 129 -14.988 11.961 -2.027 1.00 33.53 N ATOM 2064 CA PHE A 129 -14.340 10.863 -1.349 1.00 40.20 C ATOM 2065 C PHE A 129 -15.377 9.923 -0.742 1.00 72.51 C ATOM 2066 O PHE A 129 -15.284 8.703 -0.879 1.00 34.40 O ATOM 2067 CB PHE A 129 -13.458 11.436 -0.251 1.00 21.32 C ATOM 2068 CG PHE A 129 -12.829 10.320 0.560 1.00 62.51 C ATOM 2069 CD1 PHE A 129 -12.198 9.237 -0.076 1.00 72.20 C ATOM 2070 CD2 PHE A 129 -12.878 10.370 1.958 1.00 24.04 C ATOM 2071 CE1 PHE A 129 -11.621 8.216 0.688 1.00 64.05 C ATOM 2072 CE2 PHE A 129 -12.300 9.349 2.716 1.00 20.40 C ATOM 2073 CZ PHE A 129 -11.671 8.273 2.082 1.00 62.13 C ATOM 0 H PHE A 129 -14.772 12.877 -1.633 1.00 33.53 H new ATOM 0 HA PHE A 129 -13.741 10.294 -2.060 1.00 40.20 H new ATOM 0 HB2 PHE A 129 -12.678 12.059 -0.690 1.00 21.32 H new ATOM 0 HB3 PHE A 129 -14.050 12.079 0.401 1.00 21.32 H new ATOM 0 HD1 PHE A 129 -12.158 9.193 -1.154 1.00 72.20 H new ATOM 0 HD2 PHE A 129 -13.363 11.199 2.451 1.00 24.04 H new ATOM 0 HE1 PHE A 129 -11.137 7.384 0.199 1.00 64.05 H new ATOM 0 HE2 PHE A 129 -12.339 9.391 3.794 1.00 20.40 H new ATOM 0 HZ PHE A 129 -11.224 7.486 2.671 1.00 62.13 H new ATOM 2083 N ARG A 130 -16.369 10.506 -0.074 1.00 74.34 N ATOM 2084 CA ARG A 130 -17.428 9.721 0.549 1.00 5.14 C ATOM 2085 C ARG A 130 -18.257 9.010 -0.514 1.00 41.10 C ATOM 2086 O ARG A 130 -18.726 7.892 -0.306 1.00 32.32 O ATOM 2087 CB ARG A 130 -18.332 10.635 1.380 1.00 61.03 C ATOM 2088 CG ARG A 130 -19.335 9.786 2.166 1.00 52.24 C ATOM 2089 CD ARG A 130 -20.261 10.704 2.968 1.00 72.22 C ATOM 2090 NE ARG A 130 -21.188 9.912 3.767 1.00 44.41 N ATOM 2091 CZ ARG A 130 -21.885 10.462 4.756 1.00 13.45 C ATOM 2092 NH1 ARG A 130 -21.746 11.731 5.026 1.00 74.51 N ATOM 2093 NH2 ARG A 130 -22.709 9.734 5.457 1.00 12.21 N ATOM 0 H ARG A 130 -16.461 11.514 0.049 1.00 74.34 H new ATOM 0 HA ARG A 130 -16.972 8.974 1.199 1.00 5.14 H new ATOM 0 HB2 ARG A 130 -17.731 11.233 2.065 1.00 61.03 H new ATOM 0 HB3 ARG A 130 -18.861 11.331 0.729 1.00 61.03 H new ATOM 0 HG2 ARG A 130 -19.919 9.169 1.483 1.00 52.24 H new ATOM 0 HG3 ARG A 130 -18.807 9.108 2.837 1.00 52.24 H new ATOM 0 HD2 ARG A 130 -19.671 11.350 3.617 1.00 72.22 H new ATOM 0 HD3 ARG A 130 -20.816 11.353 2.291 1.00 72.22 H new ATOM 0 HE ARG A 130 -21.304 8.919 3.564 1.00 44.41 H new ATOM 0 HH11 ARG A 130 -21.102 12.301 4.478 1.00 74.51 H new ATOM 0 HH12 ARG A 130 -22.281 12.153 5.785 1.00 74.51 H new ATOM 0 HH21 ARG A 130 -22.819 8.742 5.246 1.00 12.21 H new ATOM 0 HH22 ARG A 130 -23.244 10.157 6.216 1.00 12.21 H new ATOM 2107 N LYS A 131 -18.427 9.667 -1.657 1.00 3.50 N ATOM 2108 CA LYS A 131 -19.197 9.087 -2.751 1.00 22.51 C ATOM 2109 C LYS A 131 -18.577 7.766 -3.190 1.00 44.42 C ATOM 2110 O LYS A 131 -19.263 6.751 -3.300 1.00 4.42 O ATOM 2111 CB LYS A 131 -19.236 10.056 -3.935 1.00 0.54 C ATOM 2112 CG LYS A 131 -20.203 9.528 -4.996 1.00 42.04 C ATOM 2113 CD LYS A 131 -20.189 10.457 -6.210 1.00 73.24 C ATOM 2114 CE LYS A 131 -21.204 9.965 -7.243 1.00 74.53 C ATOM 2115 NZ LYS A 131 -22.526 9.769 -6.584 1.00 73.43 N ATOM 0 H LYS A 131 -18.046 10.593 -1.849 1.00 3.50 H new ATOM 0 HA LYS A 131 -20.214 8.904 -2.403 1.00 22.51 H new ATOM 0 HB2 LYS A 131 -19.552 11.044 -3.600 1.00 0.54 H new ATOM 0 HB3 LYS A 131 -18.239 10.167 -4.360 1.00 0.54 H new ATOM 0 HG2 LYS A 131 -19.917 8.519 -5.294 1.00 42.04 H new ATOM 0 HG3 LYS A 131 -21.211 9.465 -4.585 1.00 42.04 H new ATOM 0 HD2 LYS A 131 -20.430 11.475 -5.904 1.00 73.24 H new ATOM 0 HD3 LYS A 131 -19.192 10.484 -6.649 1.00 73.24 H new ATOM 0 HE2 LYS A 131 -21.293 10.688 -8.054 1.00 74.53 H new ATOM 0 HE3 LYS A 131 -20.864 9.029 -7.686 1.00 74.53 H new ATOM 0 HZ1 LYS A 131 -23.279 9.803 -7.300 1.00 73.43 H new ATOM 0 HZ2 LYS A 131 -22.543 8.845 -6.108 1.00 73.43 H new ATOM 0 HZ3 LYS A 131 -22.680 10.522 -5.884 1.00 73.43 H new ATOM 2129 N LEU A 132 -17.273 7.791 -3.441 1.00 3.13 N ATOM 2130 CA LEU A 132 -16.560 6.593 -3.868 1.00 63.42 C ATOM 2131 C LEU A 132 -16.671 5.499 -2.808 1.00 14.34 C ATOM 2132 O LEU A 132 -17.002 4.351 -3.113 1.00 43.11 O ATOM 2133 CB LEU A 132 -15.077 6.930 -4.101 1.00 73.01 C ATOM 2134 CG LEU A 132 -14.823 7.362 -5.559 1.00 61.30 C ATOM 2135 CD1 LEU A 132 -14.836 6.139 -6.488 1.00 61.11 C ATOM 2136 CD2 LEU A 132 -15.893 8.370 -6.012 1.00 71.13 C ATOM 0 H LEU A 132 -16.690 8.624 -3.357 1.00 3.13 H new ATOM 0 HA LEU A 132 -17.006 6.233 -4.795 1.00 63.42 H new ATOM 0 HB2 LEU A 132 -14.773 7.729 -3.425 1.00 73.01 H new ATOM 0 HB3 LEU A 132 -14.463 6.061 -3.865 1.00 73.01 H new ATOM 0 HG LEU A 132 -13.843 7.837 -5.611 1.00 61.30 H new ATOM 0 HD11 LEU A 132 -14.655 6.460 -7.514 1.00 61.11 H new ATOM 0 HD12 LEU A 132 -14.056 5.442 -6.183 1.00 61.11 H new ATOM 0 HD13 LEU A 132 -15.806 5.646 -6.427 1.00 61.11 H new ATOM 0 HD21 LEU A 132 -15.701 8.666 -7.043 1.00 71.13 H new ATOM 0 HD22 LEU A 132 -16.879 7.909 -5.944 1.00 71.13 H new ATOM 0 HD23 LEU A 132 -15.859 9.250 -5.370 1.00 71.13 H new ATOM 2148 N ALA A 133 -16.387 5.858 -1.563 1.00 1.25 N ATOM 2149 CA ALA A 133 -16.452 4.887 -0.482 1.00 21.11 C ATOM 2150 C ALA A 133 -17.868 4.343 -0.333 1.00 41.20 C ATOM 2151 O ALA A 133 -18.054 3.174 -0.002 1.00 20.44 O ATOM 2152 CB ALA A 133 -15.991 5.513 0.836 1.00 71.34 C ATOM 0 H ALA A 133 -16.114 6.799 -1.280 1.00 1.25 H new ATOM 0 HA ALA A 133 -15.784 4.062 -0.729 1.00 21.11 H new ATOM 0 HB1 ALA A 133 -16.048 4.770 1.631 1.00 71.34 H new ATOM 0 HB2 ALA A 133 -14.962 5.858 0.735 1.00 71.34 H new ATOM 0 HB3 ALA A 133 -16.635 6.358 1.082 1.00 71.34 H new ATOM 2158 N GLY A 134 -18.875 5.174 -0.603 1.00 71.52 N ATOM 2159 CA GLY A 134 -20.254 4.719 -0.502 1.00 64.23 C ATOM 2160 C GLY A 134 -20.543 3.688 -1.581 1.00 33.34 C ATOM 2161 O GLY A 134 -21.215 2.687 -1.335 1.00 0.31 O ATOM 0 H GLY A 134 -18.762 6.147 -0.888 1.00 71.52 H new ATOM 0 HA2 GLY A 134 -20.431 4.286 0.483 1.00 64.23 H new ATOM 0 HA3 GLY A 134 -20.933 5.565 -0.605 1.00 64.23 H new ATOM 2165 N GLU A 135 -20.018 3.935 -2.777 1.00 15.34 N ATOM 2166 CA GLU A 135 -20.214 3.007 -3.879 1.00 54.22 C ATOM 2167 C GLU A 135 -19.699 1.636 -3.470 1.00 2.21 C ATOM 2168 O GLU A 135 -20.167 0.608 -3.961 1.00 52.54 O ATOM 2169 CB GLU A 135 -19.470 3.491 -5.125 1.00 71.22 C ATOM 2170 CG GLU A 135 -20.217 4.679 -5.737 1.00 11.05 C ATOM 2171 CD GLU A 135 -19.515 5.135 -7.011 1.00 14.42 C ATOM 2172 OE1 GLU A 135 -18.425 4.652 -7.270 1.00 41.20 O ATOM 2173 OE2 GLU A 135 -20.077 5.962 -7.710 1.00 65.03 O ATOM 0 H GLU A 135 -19.461 4.759 -3.004 1.00 15.34 H new ATOM 0 HA GLU A 135 -21.277 2.948 -4.114 1.00 54.22 H new ATOM 0 HB2 GLU A 135 -18.453 3.783 -4.864 1.00 71.22 H new ATOM 0 HB3 GLU A 135 -19.393 2.683 -5.852 1.00 71.22 H new ATOM 0 HG2 GLU A 135 -21.246 4.397 -5.960 1.00 11.05 H new ATOM 0 HG3 GLU A 135 -20.260 5.500 -5.021 1.00 11.05 H new ATOM 2180 N ARG A 136 -18.740 1.634 -2.546 1.00 3.45 N ATOM 2181 CA ARG A 136 -18.167 0.389 -2.043 1.00 71.25 C ATOM 2182 C ARG A 136 -18.908 -0.043 -0.776 1.00 73.32 C ATOM 2183 O ARG A 136 -18.534 -1.019 -0.128 1.00 52.32 O ATOM 2184 CB ARG A 136 -16.672 0.590 -1.744 1.00 24.14 C ATOM 2185 CG ARG A 136 -15.917 -0.744 -1.874 1.00 0.22 C ATOM 2186 CD ARG A 136 -15.525 -0.986 -3.336 1.00 32.32 C ATOM 2187 NE ARG A 136 -14.766 -2.226 -3.456 1.00 22.23 N ATOM 2188 CZ ARG A 136 -14.427 -2.712 -4.645 1.00 42.14 C ATOM 2189 NH1 ARG A 136 -14.771 -2.077 -5.731 1.00 24.34 N ATOM 2190 NH2 ARG A 136 -13.748 -3.824 -4.726 1.00 63.21 N ATOM 0 H ARG A 136 -18.345 2.478 -2.132 1.00 3.45 H new ATOM 0 HA ARG A 136 -18.273 -0.391 -2.797 1.00 71.25 H new ATOM 0 HB2 ARG A 136 -16.252 1.322 -2.433 1.00 24.14 H new ATOM 0 HB3 ARG A 136 -16.546 0.990 -0.738 1.00 24.14 H new ATOM 0 HG2 ARG A 136 -15.025 -0.729 -1.248 1.00 0.22 H new ATOM 0 HG3 ARG A 136 -16.543 -1.562 -1.517 1.00 0.22 H new ATOM 0 HD2 ARG A 136 -16.420 -1.037 -3.956 1.00 32.32 H new ATOM 0 HD3 ARG A 136 -14.930 -0.150 -3.704 1.00 32.32 H new ATOM 0 HE ARG A 136 -14.491 -2.729 -2.612 1.00 22.23 H new ATOM 0 HH11 ARG A 136 -15.300 -1.207 -5.667 1.00 24.34 H new ATOM 0 HH12 ARG A 136 -14.511 -2.450 -6.644 1.00 24.34 H new ATOM 0 HH21 ARG A 136 -13.478 -4.320 -3.876 1.00 63.21 H new ATOM 0 HH22 ARG A 136 -13.488 -4.197 -5.639 1.00 63.21 H new ATOM 2204 N ASN A 137 -19.973 0.698 -0.454 1.00 22.52 N ATOM 2205 CA ASN A 137 -20.804 0.410 0.717 1.00 3.30 C ATOM 2206 C ASN A 137 -20.010 0.516 2.012 1.00 5.22 C ATOM 2207 O ASN A 137 -20.185 -0.287 2.930 1.00 12.24 O ATOM 2208 CB ASN A 137 -21.353 -0.990 0.601 1.00 64.11 C ATOM 2209 CG ASN A 137 -22.123 -1.148 -0.702 1.00 0.44 C ATOM 2210 OD1 ASN A 137 -23.211 -0.590 -0.853 1.00 61.11 O ATOM 2211 ND2 ASN A 137 -21.624 -1.878 -1.657 1.00 12.45 N ATOM 0 H ASN A 137 -20.281 1.507 -0.993 1.00 22.52 H new ATOM 0 HA ASN A 137 -21.609 1.145 0.746 1.00 3.30 H new ATOM 0 HB2 ASN A 137 -20.538 -1.712 0.640 1.00 64.11 H new ATOM 0 HB3 ASN A 137 -22.007 -1.203 1.446 1.00 64.11 H new ATOM 0 HD21 ASN A 137 -22.134 -1.989 -2.533 1.00 12.45 H new ATOM 0 HD22 ASN A 137 -20.723 -2.339 -1.529 1.00 12.45 H new ATOM 2218 N TYR A 138 -19.152 1.509 2.077 1.00 72.44 N ATOM 2219 CA TYR A 138 -18.329 1.735 3.269 1.00 4.12 C ATOM 2220 C TYR A 138 -19.075 2.593 4.290 1.00 53.42 C ATOM 2221 O TYR A 138 -19.536 3.690 3.977 1.00 42.35 O ATOM 2222 CB TYR A 138 -17.016 2.444 2.892 1.00 74.33 C ATOM 2223 CG TYR A 138 -15.958 1.429 2.531 1.00 64.33 C ATOM 2224 CD1 TYR A 138 -16.291 0.313 1.762 1.00 31.32 C ATOM 2225 CD2 TYR A 138 -14.643 1.606 2.976 1.00 34.13 C ATOM 2226 CE1 TYR A 138 -15.311 -0.632 1.435 1.00 51.43 C ATOM 2227 CE2 TYR A 138 -13.661 0.663 2.649 1.00 13.50 C ATOM 2228 CZ TYR A 138 -13.995 -0.457 1.879 1.00 11.22 C ATOM 2229 OH TYR A 138 -13.029 -1.387 1.556 1.00 72.41 O ATOM 0 H TYR A 138 -18.998 2.179 1.324 1.00 72.44 H new ATOM 0 HA TYR A 138 -18.109 0.761 3.706 1.00 4.12 H new ATOM 0 HB2 TYR A 138 -17.186 3.117 2.051 1.00 74.33 H new ATOM 0 HB3 TYR A 138 -16.673 3.056 3.726 1.00 74.33 H new ATOM 0 HD1 TYR A 138 -17.306 0.178 1.419 1.00 31.32 H new ATOM 0 HD2 TYR A 138 -14.386 2.470 3.571 1.00 34.13 H new ATOM 0 HE1 TYR A 138 -15.570 -1.496 0.840 1.00 51.43 H new ATOM 0 HE2 TYR A 138 -12.646 0.800 2.991 1.00 13.50 H new ATOM 0 HH TYR A 138 -13.321 -1.906 0.778 1.00 72.41 H new ATOM 2239 N THR A 139 -19.159 2.095 5.520 1.00 73.35 N ATOM 2240 CA THR A 139 -19.815 2.834 6.595 1.00 53.43 C ATOM 2241 C THR A 139 -18.823 3.832 7.196 1.00 45.45 C ATOM 2242 O THR A 139 -17.612 3.674 7.046 1.00 2.43 O ATOM 2243 CB THR A 139 -20.317 1.870 7.685 1.00 50.03 C ATOM 2244 OG1 THR A 139 -19.367 1.810 8.739 1.00 62.52 O ATOM 2245 CG2 THR A 139 -20.512 0.467 7.096 1.00 5.14 C ATOM 0 H THR A 139 -18.783 1.188 5.797 1.00 73.35 H new ATOM 0 HA THR A 139 -20.674 3.369 6.189 1.00 53.43 H new ATOM 0 HB THR A 139 -21.270 2.233 8.069 1.00 50.03 H new ATOM 0 HG1 THR A 139 -19.311 0.892 9.077 1.00 62.52 H new ATOM 0 HG21 THR A 139 -20.867 -0.208 7.874 1.00 5.14 H new ATOM 0 HG22 THR A 139 -21.245 0.509 6.290 1.00 5.14 H new ATOM 0 HG23 THR A 139 -19.563 0.102 6.704 1.00 5.14 H new ATOM 2253 N ASP A 140 -19.334 4.884 7.827 1.00 53.52 N ATOM 2254 CA ASP A 140 -18.462 5.917 8.381 1.00 5.52 C ATOM 2255 C ASP A 140 -17.253 5.324 9.109 1.00 31.22 C ATOM 2256 O ASP A 140 -16.116 5.705 8.832 1.00 10.14 O ATOM 2257 CB ASP A 140 -19.256 6.794 9.352 1.00 20.31 C ATOM 2258 CG ASP A 140 -19.854 5.935 10.461 1.00 21.43 C ATOM 2259 OD1 ASP A 140 -19.983 4.740 10.253 1.00 1.43 O ATOM 2260 OD2 ASP A 140 -20.178 6.486 11.501 1.00 44.34 O ATOM 0 H ASP A 140 -20.332 5.044 7.967 1.00 53.52 H new ATOM 0 HA ASP A 140 -18.090 6.512 7.547 1.00 5.52 H new ATOM 0 HB2 ASP A 140 -18.606 7.556 9.782 1.00 20.31 H new ATOM 0 HB3 ASP A 140 -20.049 7.316 8.818 1.00 20.31 H new ATOM 2265 N GLU A 141 -17.480 4.415 10.052 1.00 53.42 N ATOM 2266 CA GLU A 141 -16.370 3.829 10.802 1.00 10.41 C ATOM 2267 C GLU A 141 -15.341 3.180 9.873 1.00 2.44 C ATOM 2268 O GLU A 141 -14.191 2.975 10.261 1.00 45.00 O ATOM 2269 CB GLU A 141 -16.896 2.791 11.801 1.00 15.24 C ATOM 2270 CG GLU A 141 -17.972 1.932 11.137 1.00 61.03 C ATOM 2271 CD GLU A 141 -18.391 0.805 12.074 1.00 21.14 C ATOM 2272 OE1 GLU A 141 -17.699 0.589 13.055 1.00 23.12 O ATOM 2273 OE2 GLU A 141 -19.398 0.174 11.797 1.00 3.54 O ATOM 0 H GLU A 141 -18.404 4.072 10.313 1.00 53.42 H new ATOM 0 HA GLU A 141 -15.875 4.636 11.342 1.00 10.41 H new ATOM 0 HB2 GLU A 141 -16.078 2.160 12.149 1.00 15.24 H new ATOM 0 HB3 GLU A 141 -17.307 3.292 12.677 1.00 15.24 H new ATOM 0 HG2 GLU A 141 -18.836 2.547 10.885 1.00 61.03 H new ATOM 0 HG3 GLU A 141 -17.593 1.517 10.203 1.00 61.03 H new ATOM 2280 N MET A 142 -15.754 2.856 8.653 1.00 4.40 N ATOM 2281 CA MET A 142 -14.848 2.227 7.692 1.00 61.31 C ATOM 2282 C MET A 142 -13.929 3.258 7.058 1.00 43.01 C ATOM 2283 O MET A 142 -12.869 2.926 6.527 1.00 0.32 O ATOM 2284 CB MET A 142 -15.659 1.521 6.610 1.00 2.32 C ATOM 2285 CG MET A 142 -16.824 0.768 7.269 1.00 5.12 C ATOM 2286 SD MET A 142 -17.021 -0.852 6.493 1.00 3.23 S ATOM 2287 CE MET A 142 -15.713 -1.668 7.437 1.00 41.33 C ATOM 0 H MET A 142 -16.700 3.015 8.306 1.00 4.40 H new ATOM 0 HA MET A 142 -14.232 1.500 8.221 1.00 61.31 H new ATOM 0 HB2 MET A 142 -16.039 2.247 5.891 1.00 2.32 H new ATOM 0 HB3 MET A 142 -15.026 0.826 6.058 1.00 2.32 H new ATOM 0 HG2 MET A 142 -16.636 0.650 8.336 1.00 5.12 H new ATOM 0 HG3 MET A 142 -17.744 1.344 7.169 1.00 5.12 H new ATOM 0 HE1 MET A 142 -15.765 -2.745 7.275 1.00 41.33 H new ATOM 0 HE2 MET A 142 -14.742 -1.298 7.108 1.00 41.33 H new ATOM 0 HE3 MET A 142 -15.842 -1.454 8.498 1.00 41.33 H new ATOM 2297 N VAL A 143 -14.345 4.510 7.135 1.00 64.53 N ATOM 2298 CA VAL A 143 -13.565 5.618 6.587 1.00 14.22 C ATOM 2299 C VAL A 143 -13.294 6.629 7.701 1.00 14.35 C ATOM 2300 O VAL A 143 -14.224 7.109 8.349 1.00 2.04 O ATOM 2301 CB VAL A 143 -14.335 6.256 5.421 1.00 64.42 C ATOM 2302 CG1 VAL A 143 -15.412 7.204 5.952 1.00 63.32 C ATOM 2303 CG2 VAL A 143 -13.365 7.024 4.520 1.00 15.42 C ATOM 0 H VAL A 143 -15.222 4.791 7.573 1.00 64.53 H new ATOM 0 HA VAL A 143 -12.609 5.263 6.203 1.00 14.22 H new ATOM 0 HB VAL A 143 -14.817 5.467 4.843 1.00 64.42 H new ATOM 0 HG11 VAL A 143 -15.950 7.649 5.115 1.00 63.32 H new ATOM 0 HG12 VAL A 143 -16.110 6.648 6.577 1.00 63.32 H new ATOM 0 HG13 VAL A 143 -14.944 7.992 6.543 1.00 63.32 H new ATOM 0 HG21 VAL A 143 -13.915 7.475 3.694 1.00 15.42 H new ATOM 0 HG22 VAL A 143 -12.873 7.806 5.098 1.00 15.42 H new ATOM 0 HG23 VAL A 143 -12.615 6.339 4.125 1.00 15.42 H new ATOM 2313 N ALA A 144 -12.013 6.906 7.957 1.00 21.22 N ATOM 2314 CA ALA A 144 -11.633 7.815 9.044 1.00 22.10 C ATOM 2315 C ALA A 144 -10.923 9.079 8.551 1.00 31.53 C ATOM 2316 O ALA A 144 -9.857 9.004 7.933 1.00 10.11 O ATOM 2317 CB ALA A 144 -10.702 7.064 10.012 1.00 35.50 C ATOM 0 H ALA A 144 -11.228 6.519 7.433 1.00 21.22 H new ATOM 0 HA ALA A 144 -12.551 8.135 9.536 1.00 22.10 H new ATOM 0 HB1 ALA A 144 -10.411 7.728 10.826 1.00 35.50 H new ATOM 0 HB2 ALA A 144 -11.223 6.198 10.419 1.00 35.50 H new ATOM 0 HB3 ALA A 144 -9.811 6.734 9.477 1.00 35.50 H new ATOM 2323 N MET A 145 -11.517 10.241 8.849 1.00 34.32 N ATOM 2324 CA MET A 145 -10.929 11.518 8.460 1.00 63.14 C ATOM 2325 C MET A 145 -9.828 11.861 9.455 1.00 14.24 C ATOM 2326 O MET A 145 -9.945 11.547 10.640 1.00 64.15 O ATOM 2327 CB MET A 145 -11.990 12.639 8.468 1.00 23.12 C ATOM 2328 CG MET A 145 -13.385 12.102 8.076 1.00 13.52 C ATOM 2329 SD MET A 145 -13.783 12.606 6.386 1.00 53.13 S ATOM 2330 CE MET A 145 -13.027 11.207 5.522 1.00 63.10 C ATOM 0 H MET A 145 -12.399 10.318 9.355 1.00 34.32 H new ATOM 0 HA MET A 145 -10.528 11.435 7.450 1.00 63.14 H new ATOM 0 HB2 MET A 145 -12.038 13.089 9.460 1.00 23.12 H new ATOM 0 HB3 MET A 145 -11.694 13.426 7.775 1.00 23.12 H new ATOM 0 HG2 MET A 145 -13.401 11.015 8.154 1.00 13.52 H new ATOM 0 HG3 MET A 145 -14.138 12.483 8.766 1.00 13.52 H new ATOM 0 HE1 MET A 145 -12.602 11.549 4.578 1.00 63.10 H new ATOM 0 HE2 MET A 145 -12.238 10.780 6.141 1.00 63.10 H new ATOM 0 HE3 MET A 145 -13.785 10.448 5.325 1.00 63.10 H new ATOM 2340 N LEU A 146 -8.734 12.451 8.970 1.00 12.01 N ATOM 2341 CA LEU A 146 -7.607 12.760 9.827 1.00 23.41 C ATOM 2342 C LEU A 146 -7.372 14.278 9.973 1.00 21.43 C ATOM 2343 O LEU A 146 -7.403 15.014 8.988 1.00 31.13 O ATOM 2344 CB LEU A 146 -6.375 12.067 9.213 1.00 10.10 C ATOM 2345 CG LEU A 146 -5.567 11.366 10.295 1.00 33.14 C ATOM 2346 CD1 LEU A 146 -6.430 10.366 11.082 1.00 44.05 C ATOM 2347 CD2 LEU A 146 -4.397 10.625 9.670 1.00 0.12 C ATOM 0 H LEU A 146 -8.612 12.720 7.994 1.00 12.01 H new ATOM 0 HA LEU A 146 -7.803 12.398 10.836 1.00 23.41 H new ATOM 0 HB2 LEU A 146 -6.693 11.344 8.462 1.00 10.10 H new ATOM 0 HB3 LEU A 146 -5.752 12.802 8.704 1.00 10.10 H new ATOM 0 HG LEU A 146 -5.204 12.129 10.983 1.00 33.14 H new ATOM 0 HD11 LEU A 146 -5.821 9.883 11.847 1.00 44.05 H new ATOM 0 HD12 LEU A 146 -7.257 10.894 11.556 1.00 44.05 H new ATOM 0 HD13 LEU A 146 -6.824 9.611 10.402 1.00 44.05 H new ATOM 0 HD21 LEU A 146 -3.823 10.126 10.451 1.00 0.12 H new ATOM 0 HD22 LEU A 146 -4.771 9.883 8.964 1.00 0.12 H new ATOM 0 HD23 LEU A 146 -3.756 11.334 9.146 1.00 0.12 H new ATOM 2359 N PRO A 147 -7.137 14.751 11.191 1.00 74.32 N ATOM 2360 CA PRO A 147 -6.888 16.207 11.480 1.00 13.22 C ATOM 2361 C PRO A 147 -5.494 16.672 11.048 1.00 62.42 C ATOM 2362 O PRO A 147 -4.568 15.871 10.949 1.00 32.22 O ATOM 2363 CB PRO A 147 -7.020 16.278 13.003 1.00 50.41 C ATOM 2364 CG PRO A 147 -6.548 14.944 13.461 1.00 23.44 C ATOM 2365 CD PRO A 147 -7.087 13.958 12.440 1.00 75.41 C ATOM 0 HA PRO A 147 -7.577 16.853 10.935 1.00 13.22 H new ATOM 0 HB2 PRO A 147 -6.414 17.082 13.420 1.00 50.41 H new ATOM 0 HB3 PRO A 147 -8.050 16.464 13.307 1.00 50.41 H new ATOM 0 HG2 PRO A 147 -5.460 14.906 13.508 1.00 23.44 H new ATOM 0 HG3 PRO A 147 -6.918 14.717 14.461 1.00 23.44 H new ATOM 0 HD2 PRO A 147 -6.437 13.089 12.339 1.00 75.41 H new ATOM 0 HD3 PRO A 147 -8.073 13.588 12.721 1.00 75.41 H new ATOM 2373 N ARG A 148 -5.363 17.978 10.804 1.00 54.23 N ATOM 2374 CA ARG A 148 -4.090 18.568 10.385 1.00 1.22 C ATOM 2375 C ARG A 148 -3.015 18.436 11.461 1.00 0.43 C ATOM 2376 O ARG A 148 -1.838 18.683 11.198 1.00 13.04 O ATOM 2377 CB ARG A 148 -4.292 20.052 10.058 1.00 51.40 C ATOM 2378 CG ARG A 148 -4.577 20.828 11.347 1.00 43.21 C ATOM 2379 CD ARG A 148 -5.100 22.223 10.998 1.00 35.10 C ATOM 2380 NE ARG A 148 -5.285 23.011 12.211 1.00 62.22 N ATOM 2381 CZ ARG A 148 -4.261 23.622 12.797 1.00 1.20 C ATOM 2382 NH1 ARG A 148 -3.063 23.522 12.288 1.00 52.02 N ATOM 2383 NH2 ARG A 148 -4.452 24.321 13.882 1.00 12.35 N ATOM 0 H ARG A 148 -6.126 18.649 10.890 1.00 54.23 H new ATOM 0 HA ARG A 148 -3.753 18.025 9.502 1.00 1.22 H new ATOM 0 HB2 ARG A 148 -3.403 20.452 9.570 1.00 51.40 H new ATOM 0 HB3 ARG A 148 -5.120 20.171 9.359 1.00 51.40 H new ATOM 0 HG2 ARG A 148 -5.310 20.294 11.951 1.00 43.21 H new ATOM 0 HG3 ARG A 148 -3.669 20.907 11.945 1.00 43.21 H new ATOM 0 HD2 ARG A 148 -4.398 22.726 10.333 1.00 35.10 H new ATOM 0 HD3 ARG A 148 -6.045 22.141 10.462 1.00 35.10 H new ATOM 0 HE ARG A 148 -6.217 23.095 12.617 1.00 62.22 H new ATOM 0 HH11 ARG A 148 -2.913 22.975 11.440 1.00 52.02 H new ATOM 0 HH12 ARG A 148 -2.277 23.991 12.738 1.00 52.02 H new ATOM 0 HH21 ARG A 148 -5.388 24.399 14.281 1.00 12.35 H new ATOM 0 HH22 ARG A 148 -3.666 24.790 14.332 1.00 12.35 H new ATOM 2397 N GLN A 149 -3.418 18.057 12.668 1.00 64.01 N ATOM 2398 CA GLN A 149 -2.466 17.911 13.769 1.00 11.12 C ATOM 2399 C GLN A 149 -1.160 17.290 13.276 1.00 23.43 C ATOM 2400 O GLN A 149 -1.166 16.242 12.635 1.00 1.45 O ATOM 2401 CB GLN A 149 -3.069 17.034 14.867 1.00 63.41 C ATOM 2402 CG GLN A 149 -2.166 17.066 16.101 1.00 22.32 C ATOM 2403 CD GLN A 149 -2.783 16.233 17.219 1.00 72.30 C ATOM 2404 OE1 GLN A 149 -4.005 15.792 17.095 1.00 52.21 O flip ATOM 2405 NE2 GLN A 149 -2.134 15.976 18.233 1.00 51.13 N flip ATOM 0 H GLN A 149 -4.386 17.847 12.911 1.00 64.01 H new ATOM 0 HA GLN A 149 -2.252 18.901 14.171 1.00 11.12 H new ATOM 0 HB2 GLN A 149 -4.067 17.390 15.124 1.00 63.41 H new ATOM 0 HB3 GLN A 149 -3.178 16.010 14.510 1.00 63.41 H new ATOM 0 HG2 GLN A 149 -1.179 16.678 15.850 1.00 22.32 H new ATOM 0 HG3 GLN A 149 -2.029 18.094 16.435 1.00 22.32 H new ATOM 0 HE21 GLN A 149 -1.179 16.321 18.328 1.00 51.13 H new ATOM 0 HE22 GLN A 149 -2.551 15.418 18.978 1.00 51.13 H new ATOM 2414 N GLU A 150 -0.041 17.953 13.565 1.00 42.02 N ATOM 2415 CA GLU A 150 1.268 17.461 13.133 1.00 71.13 C ATOM 2416 C GLU A 150 2.226 17.348 14.315 1.00 22.12 C ATOM 2417 O GLU A 150 2.349 18.272 15.119 1.00 71.23 O ATOM 2418 CB GLU A 150 1.859 18.411 12.090 1.00 34.32 C ATOM 2419 CG GLU A 150 2.159 19.764 12.737 1.00 13.13 C ATOM 2420 CD GLU A 150 2.411 20.814 11.660 1.00 52.33 C ATOM 2421 OE1 GLU A 150 1.541 20.997 10.824 1.00 32.34 O ATOM 2422 OE2 GLU A 150 3.470 21.418 11.684 1.00 3.52 O ATOM 0 H GLU A 150 -0.013 18.826 14.092 1.00 42.02 H new ATOM 0 HA GLU A 150 1.134 16.471 12.698 1.00 71.13 H new ATOM 0 HB2 GLU A 150 2.772 17.986 11.673 1.00 34.32 H new ATOM 0 HB3 GLU A 150 1.160 18.539 11.263 1.00 34.32 H new ATOM 0 HG2 GLU A 150 1.322 20.069 13.365 1.00 13.13 H new ATOM 0 HG3 GLU A 150 3.031 19.681 13.386 1.00 13.13 H new ATOM 2429 N GLU A 151 2.915 16.211 14.400 1.00 4.03 N ATOM 2430 CA GLU A 151 3.881 15.976 15.470 1.00 52.44 C ATOM 2431 C GLU A 151 5.276 15.867 14.871 1.00 73.51 C ATOM 2432 O GLU A 151 6.272 16.221 15.505 1.00 3.50 O ATOM 2433 CB GLU A 151 3.535 14.683 16.211 1.00 72.13 C ATOM 2434 CG GLU A 151 2.108 14.773 16.755 1.00 41.50 C ATOM 2435 CD GLU A 151 2.021 15.862 17.818 1.00 14.22 C ATOM 2436 OE1 GLU A 151 3.061 16.259 18.318 1.00 62.43 O ATOM 2437 OE2 GLU A 151 0.916 16.284 18.119 1.00 41.41 O ATOM 0 H GLU A 151 2.822 15.439 13.740 1.00 4.03 H new ATOM 0 HA GLU A 151 3.849 16.807 16.175 1.00 52.44 H new ATOM 0 HB2 GLU A 151 3.626 13.830 15.538 1.00 72.13 H new ATOM 0 HB3 GLU A 151 4.238 14.521 17.028 1.00 72.13 H new ATOM 0 HG2 GLU A 151 1.414 14.990 15.943 1.00 41.50 H new ATOM 0 HG3 GLU A 151 1.811 13.814 17.180 1.00 41.50 H new ATOM 2444 N CYS A 152 5.333 15.371 13.639 1.00 54.01 N ATOM 2445 CA CYS A 152 6.596 15.206 12.928 1.00 34.43 C ATOM 2446 C CYS A 152 6.417 15.564 11.454 1.00 75.51 C ATOM 2447 O CYS A 152 5.295 15.625 10.954 1.00 62.32 O ATOM 2448 CB CYS A 152 7.080 13.758 13.061 1.00 0.24 C ATOM 2449 SG CYS A 152 8.075 13.587 14.563 1.00 44.10 S ATOM 0 H CYS A 152 4.513 15.075 13.109 1.00 54.01 H new ATOM 0 HA CYS A 152 7.340 15.872 13.364 1.00 34.43 H new ATOM 0 HB2 CYS A 152 6.227 13.081 13.099 1.00 0.24 H new ATOM 0 HB3 CYS A 152 7.670 13.479 12.188 1.00 0.24 H new ATOM 2454 N THR A 153 7.529 15.803 10.765 1.00 75.14 N ATOM 2455 CA THR A 153 7.480 16.156 9.349 1.00 22.23 C ATOM 2456 C THR A 153 8.766 15.726 8.647 1.00 50.03 C ATOM 2457 O THR A 153 9.786 15.493 9.294 1.00 31.11 O ATOM 2458 CB THR A 153 7.282 17.666 9.192 1.00 71.11 C ATOM 2459 OG1 THR A 153 8.301 18.352 9.906 1.00 5.13 O ATOM 2460 CG2 THR A 153 5.911 18.065 9.742 1.00 31.04 C ATOM 0 H THR A 153 8.468 15.759 11.160 1.00 75.14 H new ATOM 0 HA THR A 153 6.640 15.635 8.890 1.00 22.23 H new ATOM 0 HB THR A 153 7.336 17.932 8.136 1.00 71.11 H new ATOM 0 HG1 THR A 153 8.177 19.319 9.805 1.00 5.13 H new ATOM 0 HG21 THR A 153 5.773 19.140 9.629 1.00 31.04 H new ATOM 0 HG22 THR A 153 5.131 17.539 9.192 1.00 31.04 H new ATOM 0 HG23 THR A 153 5.851 17.800 10.798 1.00 31.04 H new ATOM 2468 N VAL A 154 8.710 15.626 7.320 1.00 43.53 N ATOM 2469 CA VAL A 154 9.877 15.226 6.538 1.00 13.03 C ATOM 2470 C VAL A 154 10.590 16.451 5.991 1.00 70.14 C ATOM 2471 O VAL A 154 10.027 17.544 5.920 1.00 41.12 O ATOM 2472 CB VAL A 154 9.453 14.292 5.392 1.00 11.05 C ATOM 2473 CG1 VAL A 154 8.139 14.781 4.783 1.00 73.42 C ATOM 2474 CG2 VAL A 154 10.530 14.246 4.296 1.00 75.21 C ATOM 0 H VAL A 154 7.874 15.815 6.767 1.00 43.53 H new ATOM 0 HA VAL A 154 10.567 14.687 7.187 1.00 13.03 H new ATOM 0 HB VAL A 154 9.323 13.290 5.801 1.00 11.05 H new ATOM 0 HG11 VAL A 154 7.844 14.115 3.972 1.00 73.42 H new ATOM 0 HG12 VAL A 154 7.363 14.786 5.548 1.00 73.42 H new ATOM 0 HG13 VAL A 154 8.272 15.790 4.394 1.00 73.42 H new ATOM 0 HG21 VAL A 154 10.207 13.579 3.497 1.00 75.21 H new ATOM 0 HG22 VAL A 154 10.683 15.247 3.894 1.00 75.21 H new ATOM 0 HG23 VAL A 154 11.465 13.879 4.720 1.00 75.21 H new ATOM 2484 N ASP A 155 11.837 16.247 5.608 1.00 53.10 N ATOM 2485 CA ASP A 155 12.654 17.324 5.063 1.00 33.15 C ATOM 2486 C ASP A 155 11.930 18.049 3.946 1.00 24.14 C ATOM 2487 O ASP A 155 10.914 17.586 3.428 1.00 1.22 O ATOM 2488 CB ASP A 155 13.986 16.797 4.536 1.00 73.41 C ATOM 2489 CG ASP A 155 14.766 17.913 3.846 1.00 20.14 C ATOM 2490 OD1 ASP A 155 15.428 18.664 4.543 1.00 21.31 O ATOM 2491 OD2 ASP A 155 14.689 17.999 2.631 1.00 61.10 O ATOM 0 H ASP A 155 12.310 15.345 5.663 1.00 53.10 H new ATOM 0 HA ASP A 155 12.845 18.022 5.879 1.00 33.15 H new ATOM 0 HB2 ASP A 155 14.574 16.389 5.358 1.00 73.41 H new ATOM 0 HB3 ASP A 155 13.810 15.981 3.835 1.00 73.41 H new ATOM 2496 N GLU A 156 12.477 19.196 3.592 1.00 72.24 N ATOM 2497 CA GLU A 156 11.911 20.028 2.534 1.00 2.51 C ATOM 2498 C GLU A 156 13.021 20.686 1.720 1.00 22.34 C ATOM 2499 O GLU A 156 13.401 21.829 1.976 1.00 60.44 O ATOM 2500 CB GLU A 156 11.008 21.102 3.146 1.00 12.40 C ATOM 2501 CG GLU A 156 11.657 21.660 4.415 1.00 31.31 C ATOM 2502 CD GLU A 156 10.801 22.788 4.983 1.00 54.20 C ATOM 2503 OE1 GLU A 156 9.840 23.161 4.333 1.00 10.33 O ATOM 2504 OE2 GLU A 156 11.121 23.260 6.061 1.00 31.31 O ATOM 0 H GLU A 156 13.319 19.580 4.022 1.00 72.24 H new ATOM 0 HA GLU A 156 11.321 19.396 1.870 1.00 2.51 H new ATOM 0 HB2 GLU A 156 10.843 21.905 2.427 1.00 12.40 H new ATOM 0 HB3 GLU A 156 10.031 20.679 3.381 1.00 12.40 H new ATOM 0 HG2 GLU A 156 11.768 20.868 5.156 1.00 31.31 H new ATOM 0 HG3 GLU A 156 12.658 22.029 4.190 1.00 31.31 H new ATOM 2511 N VAL A 157 13.533 19.955 0.739 1.00 41.13 N ATOM 2512 CA VAL A 157 14.593 20.466 -0.112 1.00 51.41 C ATOM 2513 C VAL A 157 14.154 21.756 -0.800 1.00 11.12 C ATOM 2514 O VAL A 157 15.021 22.511 -1.208 1.00 22.34 O ATOM 2515 CB VAL A 157 14.949 19.413 -1.162 1.00 33.14 C ATOM 2516 CG1 VAL A 157 15.786 18.305 -0.518 1.00 64.33 C ATOM 2517 CG2 VAL A 157 13.663 18.813 -1.737 1.00 63.55 C ATOM 2518 OXT VAL A 157 12.957 21.967 -0.909 1.00 22.34 O ATOM 0 H VAL A 157 13.230 19.007 0.515 1.00 41.13 H new ATOM 0 HA VAL A 157 15.467 20.684 0.502 1.00 51.41 H new ATOM 0 HB VAL A 157 15.524 19.880 -1.962 1.00 33.14 H new ATOM 0 HG11 VAL A 157 16.038 17.556 -1.269 1.00 64.33 H new ATOM 0 HG12 VAL A 157 16.702 18.732 -0.109 1.00 64.33 H new ATOM 0 HG13 VAL A 157 15.215 17.837 0.284 1.00 64.33 H new ATOM 0 HG21 VAL A 157 13.915 18.062 -2.486 1.00 63.55 H new ATOM 0 HG22 VAL A 157 13.088 18.348 -0.936 1.00 63.55 H new ATOM 0 HG23 VAL A 157 13.069 19.601 -2.199 1.00 63.55 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.272 4.063 2.907 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.336 2.250 2.044 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.637 2.440 2.307 1.00 20.00 O HETATM 2532 N1 EB4 A 200 -0.483 -1.105 5.472 1.00 20.00 N HETATM 2533 C5 EB4 A 200 3.727 1.661 2.535 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.527 1.200 2.022 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.514 0.427 3.178 1.00 20.00 C HETATM 2536 C2 EB4 A 200 3.863 1.206 3.842 1.00 20.00 C HETATM 2537 C6 EB4 A 200 0.705 4.854 3.858 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.671 1.308 1.578 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.017 0.157 6.293 1.00 20.00 N HETATM 2540 C9 EB4 A 200 0.222 6.138 3.640 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -2.218 -0.240 1.083 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.083 3.005 5.207 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.338 3.117 7.622 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -1.351 -0.678 3.285 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.380 0.864 0.977 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.628 4.284 5.124 1.00 20.00 C HETATM 2547 C11 EB4 A 200 5.750 0.503 1.928 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.360 0.852 4.130 1.00 20.00 O HETATM 2549 O2 EB4 A 200 2.888 1.607 4.702 1.00 20.00 O HETATM 2550 C12 EB4 A 200 -0.307 6.867 4.700 1.00 20.00 C HETATM 2551 C15 EB4 A 200 -0.352 6.311 5.973 1.00 20.00 C HETATM 2552 C14 EB4 A 200 5.883 0.049 3.235 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -2.203 -1.012 2.239 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -2.071 -2.489 4.632 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -1.337 -1.509 4.522 1.00 20.00 C HETATM 2556 C22 EB4 A 200 -0.350 -1.820 6.749 1.00 20.00 C HETATM 2557 C25 EB4 A 200 -0.686 -0.906 7.917 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -1.209 -1.360 8.933 1.00 20.00 O HETATM 2559 O15 EB4 A 200 -0.374 0.407 7.756 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.708 1.281 8.846 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.323 2.395 8.903 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.064 4.427 7.554 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.115 5.019 6.187 1.00 20.00 C HETATM 2564 O9 EB4 A 200 -0.215 5.121 8.530 1.00 20.00 O HETATM 2565 C27 EB4 A 200 1.677 1.724 9.287 1.00 20.00 C HETATM 2566 O12 EB4 A 200 1.896 1.350 10.437 1.00 20.00 O HETATM 2567 C28 EB4 A 200 1.028 -2.460 6.856 1.00 20.00 C HETATM 2568 O13 EB4 A 200 2.108 -1.519 6.766 1.00 20.00 O HETATM 2569 C26 EB4 A 200 2.810 -1.236 7.896 1.00 20.00 C HETATM 2570 O11 EB4 A 200 2.559 -1.713 9.002 1.00 20.00 O HETATM 2571 C23 EB4 A 200 3.971 -0.256 7.704 1.00 20.00 C HETATM 2572 C29 EB4 A 200 3.796 0.955 8.602 1.00 20.00 C HETATM 2573 O14 EB4 A 200 2.559 1.596 8.262 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.076 -0.056 5.500 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.110 -0.610 5.870 1.00 20.00 O HETATM 2576 C17 EB4 A 200 4.940 0.401 4.194 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.706 1.696 8.707 1.00 20.00 H new HETATM 0 H29A EB4 A 200 3.791 0.653 9.649 1.00 20.00 H new HETATM 0 H28A EB4 A 200 1.099 -2.992 7.804 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.562 2.609 6.766 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.203 0.629 5.899 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.091 -0.278 5.304 1.00 20.00 H new HETATM 0 H9 EB4 A 200 0.257 6.573 2.641 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.566 1.662 0.553 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.392 1.469 0.070 1.00 20.00 H new HETATM 0 H30 EB4 A 200 -0.720 0.728 9.785 1.00 20.00 H new HETATM 0 H29 EB4 A 200 4.629 1.646 8.473 1.00 20.00 H new HETATM 0 H28 EB4 A 200 1.137 -3.202 6.065 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.097 3.155 9.651 1.00 20.00 H new HETATM 0 H23 EB4 A 200 4.908 -0.744 7.973 1.00 20.00 H new HETATM 0 H22 EB4 A 200 -1.074 -2.634 6.786 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.754 6.889 6.805 1.00 20.00 H new HETATM 0 H14 EB4 A 200 6.727 -0.584 3.508 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.859 -1.878 2.325 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -0.686 7.875 4.532 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.491 0.228 1.177 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.885 -0.500 0.261 1.00 20.00 H new HETATM 2598 GA GA A 201 1.466 2.336 3.588 1.00 20.00 GA HETATM 2599 C1 ACD A 300 0.509 11.569 -11.560 1.00 20.00 C HETATM 2600 C2 ACD A 300 0.741 10.785 -10.266 1.00 20.00 C HETATM 2601 C3 ACD A 300 -0.617 10.486 -9.627 1.00 20.00 C HETATM 2602 C4 ACD A 300 -0.438 9.796 -8.273 1.00 20.00 C HETATM 2603 C5 ACD A 300 -1.816 9.614 -7.633 1.00 20.00 C HETATM 2604 C6 ACD A 300 -1.945 9.360 -6.129 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.694 9.285 -5.252 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.082 7.886 -5.368 1.00 20.00 C HETATM 2607 C9 ACD A 300 0.122 7.010 -4.129 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.278 7.510 -2.739 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.143 6.461 -2.035 1.00 20.00 C HETATM 2610 C12 ACD A 300 -0.675 5.810 -0.731 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.668 6.193 -0.103 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.527 7.628 0.409 1.00 20.00 C HETATM 2613 C15 ACD A 300 1.736 8.567 0.413 1.00 20.00 C HETATM 2614 C16 ACD A 300 3.094 8.077 -0.095 1.00 20.00 C HETATM 2615 C17 ACD A 300 3.021 7.835 -1.603 1.00 20.00 C HETATM 2616 C18 ACD A 300 2.587 9.113 -2.324 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.409 8.796 -3.810 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.052 10.058 -4.597 1.00 20.00 C HETATM 2619 O1 ACD A 300 -0.557 12.216 -11.645 1.00 20.00 O HETATM 2620 O2 ACD A 300 1.400 11.500 -12.433 1.00 20.00 O HETATM 0 H203 ACD A 300 1.121 10.475 -4.213 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.850 10.792 -4.488 1.00 20.00 H new HETATM 0 H201 ACD A 300 1.931 9.807 -5.651 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.327 8.363 -4.206 1.00 20.00 H new HETATM 0 H191 ACD A 300 1.624 8.050 -3.936 1.00 20.00 H new HETATM 0 H182 ACD A 300 1.654 9.488 -1.902 1.00 20.00 H new HETATM 0 H181 ACD A 300 3.334 9.895 -2.191 1.00 20.00 H new HETATM 0 H172 ACD A 300 3.994 7.512 -1.974 1.00 20.00 H new HETATM 0 H171 ACD A 300 2.316 7.032 -1.816 1.00 20.00 H new HETATM 0 H162 ACD A 300 3.865 8.815 0.128 1.00 20.00 H new HETATM 0 H161 ACD A 300 3.375 7.157 0.418 1.00 20.00 H new HETATM 0 H132 ACD A 300 0.920 5.515 0.713 1.00 20.00 H new HETATM 0 H131 ACD A 300 1.471 6.122 -0.836 1.00 20.00 H new HETATM 0 H102 ACD A 300 0.614 7.715 -2.147 1.00 20.00 H new HETATM 0 H101 ACD A 300 -0.827 8.448 -2.825 1.00 20.00 H new HETATM 0 HO2 ACD A 300 2.265 11.329 -12.005 1.00 20.00 H new HETATM 0 H9 ACD A 300 0.558 6.017 -4.238 1.00 20.00 H new HETATM 0 H8 ACD A 300 0.213 7.508 -6.347 1.00 20.00 H new HETATM 0 H72 ACD A 300 0.029 10.039 -5.564 1.00 20.00 H new HETATM 0 H71 ACD A 300 -0.949 9.499 -4.214 1.00 20.00 H new HETATM 0 H6 ACD A 300 -2.931 9.232 -5.682 1.00 20.00 H new HETATM 0 H5 ACD A 300 -2.712 9.666 -8.252 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.050 8.830 -8.402 1.00 20.00 H new HETATM 0 H41 ACD A 300 0.204 10.393 -7.626 1.00 20.00 H new HETATM 0 H32 ACD A 300 -1.175 11.413 -9.497 1.00 20.00 H new HETATM 0 H31 ACD A 300 -1.204 9.850 -10.290 1.00 20.00 H new HETATM 0 H22 ACD A 300 1.273 9.857 -10.476 1.00 20.00 H new HETATM 0 H21 ACD A 300 1.363 11.361 -9.581 1.00 20.00 H new HETATM 0 H15 ACD A 300 1.629 9.588 0.779 1.00 20.00 H new HETATM 0 H14 ACD A 300 -0.438 7.983 0.772 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.305 5.065 -0.244 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.102 6.175 -2.467 1.00 20.00 H new