USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 308 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: B 312 SER OG : rot 68:sc= 1.23 USER MOD Set 2.1: A 71 GLN : amide:sc= -0.524 K(o=-0.59,f=-2.7) USER MOD Set 2.2: A 73 HIS : no HD1:sc= -0.0931 X(o=-0.59,f=-0.5) USER MOD Set 2.3: A 92 SER OG : rot 180:sc= 0.0276 USER MOD Set 3.1: A 36 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.975) USER MOD Set 3.2: A 60 TYR OH : rot -126:sc= 1.25 USER MOD Set 3.3: A 64 LYS NZ :NH3+ 141:sc= 0.49 (180deg=-0.188) USER MOD Set 4.1: A 16 THR OG1 : rot 180:sc= 0.0299 USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 49:sc= 0.0815 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -93:sc= 0.162 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 66:sc= 1.3 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 136:sc= 0.872 (180deg=-0.211!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.51 USER MOD Single : A 49 THR OG1 : rot -85:sc= 0.811 USER MOD Single : A 50 MET CE :methyl -173:sc= -1 (180deg=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0029 X(o=-0.0029,f=-0.47) USER MOD Single : A 62 MET CE :methyl -157:sc= -0.218 (180deg=-0.871) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.08) USER MOD Single : A 72 GLN : amide:sc= -2.04 K(o=-2,f=-1.3) USER MOD Single : A 76 TYR OH : rot 56:sc= 1.23 USER MOD Single : A 77 CYS SG : rot 138:sc= -7.38! USER MOD Single : A 78 SER OG : rot -85:sc= 0.107 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= 0.45 (180deg=0.173) USER MOD Single : A 96 HIS : no HD1:sc= -0.469 X(o=-0.47,f=0.015) USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.16) USER MOD Single : A 100 TYR OH : rot 30:sc= 0.0271 USER MOD Single : A 101 THR OG1 : rot -82:sc= 0.933 USER MOD Single : A 102 MET CE :methyl -179:sc= -2.25 (180deg=-2.29!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -3.89! C(o=-3.9!,f=-8.7!) USER MOD Single : B 304 THR OG1 : rot -134:sc= 0.666 USER MOD Single : B 305 THR OG1 : rot -173:sc= 0.338 USER MOD Single : B 311 SER OG : rot 94:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 20.602 -9.043 0.458 1.00 1.00 N ATOM 2 CA ASN A 3 19.183 -8.948 0.797 1.00 64.21 C ATOM 3 C ASN A 3 18.471 -8.281 -0.342 1.00 1.42 C ATOM 4 O ASN A 3 19.064 -8.072 -1.397 1.00 73.22 O ATOM 5 CB ASN A 3 18.965 -8.131 2.086 1.00 71.21 C ATOM 6 CG ASN A 3 19.634 -8.739 3.297 1.00 24.41 C ATOM 7 OD1 ASN A 3 19.050 -9.571 3.989 1.00 11.41 O ATOM 8 ND2 ASN A 3 20.835 -8.310 3.590 1.00 41.45 N ATOM 0 HA ASN A 3 18.792 -9.951 0.968 1.00 64.21 H new ATOM 0 HB2 ASN A 3 19.347 -7.121 1.937 1.00 71.21 H new ATOM 0 HB3 ASN A 3 17.895 -8.043 2.276 1.00 71.21 H new ATOM 0 HD21 ASN A 3 21.317 -8.667 4.415 1.00 41.45 H new ATOM 0 HD22 ASN A 3 21.289 -7.619 2.993 1.00 41.45 H new ATOM 17 N THR A 4 17.218 -7.961 -0.162 1.00 21.23 N ATOM 18 CA THR A 4 16.479 -7.282 -1.178 1.00 20.42 C ATOM 19 C THR A 4 16.545 -5.782 -0.921 1.00 62.42 C ATOM 20 O THR A 4 15.965 -5.284 0.052 1.00 2.41 O ATOM 21 CB THR A 4 15.009 -7.724 -1.172 1.00 43.05 C ATOM 22 OG1 THR A 4 14.941 -9.160 -1.125 1.00 52.05 O ATOM 23 CG2 THR A 4 14.304 -7.223 -2.426 1.00 0.45 C ATOM 0 H THR A 4 16.689 -8.164 0.687 1.00 21.23 H new ATOM 0 HA THR A 4 16.914 -7.525 -2.147 1.00 20.42 H new ATOM 0 HB THR A 4 14.515 -7.303 -0.296 1.00 43.05 H new ATOM 0 HG1 THR A 4 14.003 -9.443 -1.119 1.00 52.05 H new ATOM 0 HG21 THR A 4 13.262 -7.543 -2.410 1.00 0.45 H new ATOM 0 HG22 THR A 4 14.349 -6.134 -2.458 1.00 0.45 H new ATOM 0 HG23 THR A 4 14.796 -7.633 -3.308 1.00 0.45 H new ATOM 31 N ASN A 5 17.283 -5.084 -1.732 1.00 20.55 N ATOM 32 CA ASN A 5 17.377 -3.639 -1.608 1.00 31.42 C ATOM 33 C ASN A 5 16.240 -3.023 -2.373 1.00 64.24 C ATOM 34 O ASN A 5 15.802 -3.584 -3.379 1.00 43.23 O ATOM 35 CB ASN A 5 18.721 -3.108 -2.147 1.00 31.43 C ATOM 36 CG ASN A 5 19.926 -3.576 -1.352 1.00 2.30 C ATOM 37 OD1 ASN A 5 20.346 -2.928 -0.387 1.00 54.43 O ATOM 38 ND2 ASN A 5 20.496 -4.687 -1.745 1.00 40.12 N ATOM 0 H ASN A 5 17.834 -5.482 -2.492 1.00 20.55 H new ATOM 0 HA ASN A 5 17.321 -3.371 -0.553 1.00 31.42 H new ATOM 0 HB2 ASN A 5 18.836 -3.424 -3.184 1.00 31.43 H new ATOM 0 HB3 ASN A 5 18.697 -2.018 -2.146 1.00 31.43 H new ATOM 0 HD21 ASN A 5 21.314 -5.043 -1.250 1.00 40.12 H new ATOM 0 HD22 ASN A 5 20.122 -5.196 -2.546 1.00 40.12 H new ATOM 45 N MET A 6 15.732 -1.909 -1.903 1.00 50.32 N ATOM 46 CA MET A 6 14.649 -1.232 -2.597 1.00 55.35 C ATOM 47 C MET A 6 15.191 -0.577 -3.843 1.00 55.10 C ATOM 48 O MET A 6 14.568 -0.624 -4.914 1.00 33.22 O ATOM 49 CB MET A 6 13.964 -0.211 -1.693 1.00 43.32 C ATOM 50 CG MET A 6 13.309 -0.836 -0.485 1.00 31.30 C ATOM 51 SD MET A 6 12.597 0.361 0.650 1.00 50.44 S ATOM 52 CE MET A 6 12.064 -0.768 1.930 1.00 54.43 C ATOM 0 H MET A 6 16.045 -1.449 -1.048 1.00 50.32 H new ATOM 0 HA MET A 6 13.894 -1.966 -2.878 1.00 55.35 H new ATOM 0 HB2 MET A 6 14.699 0.523 -1.362 1.00 43.32 H new ATOM 0 HB3 MET A 6 13.212 0.328 -2.269 1.00 43.32 H new ATOM 0 HG2 MET A 6 12.526 -1.517 -0.819 1.00 31.30 H new ATOM 0 HG3 MET A 6 14.047 -1.435 0.048 1.00 31.30 H new ATOM 0 HE1 MET A 6 11.590 -0.207 2.736 1.00 54.43 H new ATOM 0 HE2 MET A 6 11.350 -1.479 1.514 1.00 54.43 H new ATOM 0 HE3 MET A 6 12.926 -1.307 2.322 1.00 54.43 H new ATOM 62 N SER A 7 16.351 0.005 -3.719 1.00 73.11 N ATOM 63 CA SER A 7 17.024 0.582 -4.838 1.00 53.24 C ATOM 64 C SER A 7 18.234 -0.286 -5.176 1.00 5.33 C ATOM 65 O SER A 7 19.223 -0.311 -4.435 1.00 12.05 O ATOM 66 CB SER A 7 17.437 2.025 -4.515 1.00 51.30 C ATOM 67 OG SER A 7 16.293 2.798 -4.119 1.00 14.32 O ATOM 0 H SER A 7 16.853 0.090 -2.835 1.00 73.11 H new ATOM 0 HA SER A 7 16.363 0.619 -5.704 1.00 53.24 H new ATOM 0 HB2 SER A 7 18.179 2.027 -3.717 1.00 51.30 H new ATOM 0 HB3 SER A 7 17.906 2.479 -5.388 1.00 51.30 H new ATOM 0 HG SER A 7 16.572 3.715 -3.915 1.00 14.32 H new ATOM 73 N VAL A 8 18.110 -1.049 -6.233 1.00 21.31 N ATOM 74 CA VAL A 8 19.166 -1.922 -6.698 1.00 5.42 C ATOM 75 C VAL A 8 19.803 -1.274 -7.916 1.00 40.44 C ATOM 76 O VAL A 8 19.220 -0.337 -8.475 1.00 42.14 O ATOM 77 CB VAL A 8 18.628 -3.354 -7.053 1.00 10.22 C ATOM 78 CG1 VAL A 8 18.111 -4.057 -5.818 1.00 74.14 C ATOM 79 CG2 VAL A 8 17.542 -3.300 -8.116 1.00 45.33 C ATOM 0 H VAL A 8 17.265 -1.084 -6.803 1.00 21.31 H new ATOM 0 HA VAL A 8 19.901 -2.055 -5.904 1.00 5.42 H new ATOM 0 HB VAL A 8 19.467 -3.921 -7.457 1.00 10.22 H new ATOM 0 HG11 VAL A 8 17.744 -5.047 -6.090 1.00 74.14 H new ATOM 0 HG12 VAL A 8 18.917 -4.156 -5.091 1.00 74.14 H new ATOM 0 HG13 VAL A 8 17.299 -3.476 -5.382 1.00 74.14 H new ATOM 0 HG21 VAL A 8 17.196 -4.310 -8.334 1.00 45.33 H new ATOM 0 HG22 VAL A 8 16.707 -2.701 -7.753 1.00 45.33 H new ATOM 0 HG23 VAL A 8 17.944 -2.850 -9.024 1.00 45.33 H new ATOM 89 N PRO A 9 21.003 -1.700 -8.338 1.00 74.40 N ATOM 90 CA PRO A 9 21.645 -1.120 -9.498 1.00 52.31 C ATOM 91 C PRO A 9 20.980 -1.530 -10.816 1.00 2.24 C ATOM 92 O PRO A 9 21.408 -2.464 -11.499 1.00 32.11 O ATOM 93 CB PRO A 9 23.090 -1.600 -9.423 1.00 13.22 C ATOM 94 CG PRO A 9 23.050 -2.841 -8.597 1.00 22.03 C ATOM 95 CD PRO A 9 21.844 -2.736 -7.698 1.00 41.32 C ATOM 0 HA PRO A 9 21.567 -0.033 -9.488 1.00 52.31 H new ATOM 0 HB2 PRO A 9 23.490 -1.802 -10.417 1.00 13.22 H new ATOM 0 HB3 PRO A 9 23.732 -0.845 -8.968 1.00 13.22 H new ATOM 0 HG2 PRO A 9 22.981 -3.724 -9.232 1.00 22.03 H new ATOM 0 HG3 PRO A 9 23.962 -2.942 -8.008 1.00 22.03 H new ATOM 0 HD2 PRO A 9 21.317 -3.688 -7.625 1.00 41.32 H new ATOM 0 HD3 PRO A 9 22.126 -2.450 -6.685 1.00 41.32 H new ATOM 103 N THR A 10 19.883 -0.883 -11.103 1.00 55.24 N ATOM 104 CA THR A 10 19.163 -1.053 -12.335 1.00 33.05 C ATOM 105 C THR A 10 19.843 -0.166 -13.389 1.00 33.12 C ATOM 106 O THR A 10 19.892 -0.474 -14.591 1.00 40.24 O ATOM 107 CB THR A 10 17.698 -0.610 -12.106 1.00 53.43 C ATOM 108 OG1 THR A 10 17.186 -1.290 -10.937 1.00 13.43 O ATOM 109 CG2 THR A 10 16.819 -0.948 -13.298 1.00 1.43 C ATOM 0 H THR A 10 19.455 -0.207 -10.471 1.00 55.24 H new ATOM 0 HA THR A 10 19.166 -2.090 -12.672 1.00 33.05 H new ATOM 0 HB THR A 10 17.683 0.471 -11.969 1.00 53.43 H new ATOM 0 HG1 THR A 10 16.258 -1.017 -10.780 1.00 13.43 H new ATOM 0 HG21 THR A 10 15.798 -0.622 -13.101 1.00 1.43 H new ATOM 0 HG22 THR A 10 17.197 -0.440 -14.185 1.00 1.43 H new ATOM 0 HG23 THR A 10 16.830 -2.025 -13.465 1.00 1.43 H new ATOM 117 N ASP A 11 20.401 0.910 -12.898 1.00 22.24 N ATOM 118 CA ASP A 11 21.147 1.862 -13.680 1.00 52.52 C ATOM 119 C ASP A 11 22.510 2.017 -13.042 1.00 21.43 C ATOM 120 O ASP A 11 23.526 1.553 -13.573 1.00 1.43 O ATOM 121 CB ASP A 11 20.425 3.219 -13.718 1.00 60.33 C ATOM 122 CG ASP A 11 21.222 4.283 -14.439 1.00 32.54 C ATOM 123 OD1 ASP A 11 21.197 4.316 -15.676 1.00 11.52 O ATOM 124 OD2 ASP A 11 21.901 5.089 -13.772 1.00 72.40 O ATOM 0 H ASP A 11 20.347 1.156 -11.910 1.00 22.24 H new ATOM 0 HA ASP A 11 21.242 1.508 -14.707 1.00 52.52 H new ATOM 0 HB2 ASP A 11 19.459 3.099 -14.209 1.00 60.33 H new ATOM 0 HB3 ASP A 11 20.225 3.549 -12.698 1.00 60.33 H new ATOM 129 N GLY A 12 22.506 2.580 -11.868 1.00 24.21 N ATOM 130 CA GLY A 12 23.696 2.808 -11.127 1.00 13.41 C ATOM 131 C GLY A 12 23.351 3.302 -9.767 1.00 44.33 C ATOM 132 O GLY A 12 22.700 4.337 -9.629 1.00 44.55 O ATOM 0 H GLY A 12 21.658 2.896 -11.398 1.00 24.21 H new ATOM 0 HA2 GLY A 12 24.273 1.886 -11.054 1.00 13.41 H new ATOM 0 HA3 GLY A 12 24.323 3.537 -11.641 1.00 13.41 H new ATOM 136 N ALA A 13 23.730 2.568 -8.768 1.00 25.35 N ATOM 137 CA ALA A 13 23.412 2.940 -7.430 1.00 53.32 C ATOM 138 C ALA A 13 24.592 3.636 -6.797 1.00 12.11 C ATOM 139 O ALA A 13 25.742 3.399 -7.181 1.00 52.51 O ATOM 140 CB ALA A 13 22.996 1.718 -6.619 1.00 34.21 C ATOM 0 H ALA A 13 24.263 1.703 -8.857 1.00 25.35 H new ATOM 0 HA ALA A 13 22.570 3.632 -7.444 1.00 53.32 H new ATOM 0 HB1 ALA A 13 22.757 2.022 -5.600 1.00 34.21 H new ATOM 0 HB2 ALA A 13 22.119 1.259 -7.076 1.00 34.21 H new ATOM 0 HB3 ALA A 13 23.814 0.998 -6.600 1.00 34.21 H new ATOM 146 N VAL A 14 24.318 4.475 -5.832 1.00 54.25 N ATOM 147 CA VAL A 14 25.345 5.218 -5.095 1.00 44.45 C ATOM 148 C VAL A 14 25.989 4.334 -4.004 1.00 64.41 C ATOM 149 O VAL A 14 26.283 4.792 -2.888 1.00 53.45 O ATOM 150 CB VAL A 14 24.742 6.505 -4.458 1.00 44.03 C ATOM 151 CG1 VAL A 14 24.309 7.477 -5.545 1.00 13.21 C ATOM 152 CG2 VAL A 14 23.553 6.170 -3.550 1.00 42.41 C ATOM 0 H VAL A 14 23.367 4.674 -5.521 1.00 54.25 H new ATOM 0 HA VAL A 14 26.120 5.510 -5.803 1.00 44.45 H new ATOM 0 HB VAL A 14 25.515 6.971 -3.848 1.00 44.03 H new ATOM 0 HG11 VAL A 14 23.889 8.372 -5.086 1.00 13.21 H new ATOM 0 HG12 VAL A 14 25.171 7.751 -6.153 1.00 13.21 H new ATOM 0 HG13 VAL A 14 23.556 7.005 -6.176 1.00 13.21 H new ATOM 0 HG21 VAL A 14 23.153 7.088 -3.120 1.00 42.41 H new ATOM 0 HG22 VAL A 14 22.777 5.675 -4.134 1.00 42.41 H new ATOM 0 HG23 VAL A 14 23.882 5.508 -2.749 1.00 42.41 H new ATOM 162 N THR A 15 26.242 3.095 -4.363 1.00 62.35 N ATOM 163 CA THR A 15 26.784 2.104 -3.489 1.00 70.21 C ATOM 164 C THR A 15 28.236 2.388 -3.115 1.00 24.34 C ATOM 165 O THR A 15 29.165 2.116 -3.892 1.00 4.22 O ATOM 166 CB THR A 15 26.650 0.709 -4.130 1.00 71.00 C ATOM 167 OG1 THR A 15 27.000 0.792 -5.534 1.00 53.52 O ATOM 168 CG2 THR A 15 25.235 0.171 -3.981 1.00 33.25 C ATOM 0 H THR A 15 26.067 2.748 -5.306 1.00 62.35 H new ATOM 0 HA THR A 15 26.210 2.134 -2.563 1.00 70.21 H new ATOM 0 HB THR A 15 27.327 0.024 -3.619 1.00 71.00 H new ATOM 0 HG1 THR A 15 27.848 1.273 -5.632 1.00 53.52 H new ATOM 0 HG21 THR A 15 25.170 -0.814 -4.442 1.00 33.25 H new ATOM 0 HG22 THR A 15 24.985 0.094 -2.923 1.00 33.25 H new ATOM 0 HG23 THR A 15 24.535 0.848 -4.471 1.00 33.25 H new ATOM 176 N THR A 16 28.412 2.995 -1.969 1.00 34.01 N ATOM 177 CA THR A 16 29.716 3.246 -1.421 1.00 62.33 C ATOM 178 C THR A 16 30.318 1.932 -0.962 1.00 62.33 C ATOM 179 O THR A 16 31.478 1.616 -1.248 1.00 4.14 O ATOM 180 CB THR A 16 29.612 4.233 -0.251 1.00 32.31 C ATOM 181 OG1 THR A 16 28.513 3.852 0.605 1.00 45.44 O ATOM 182 CG2 THR A 16 29.391 5.636 -0.758 1.00 52.43 C ATOM 0 H THR A 16 27.645 3.331 -1.386 1.00 34.01 H new ATOM 0 HA THR A 16 30.359 3.689 -2.181 1.00 62.33 H new ATOM 0 HB THR A 16 30.545 4.207 0.311 1.00 32.31 H new ATOM 0 HG1 THR A 16 28.448 4.481 1.353 1.00 45.44 H new ATOM 0 HG21 THR A 16 29.320 6.321 0.087 1.00 52.43 H new ATOM 0 HG22 THR A 16 30.227 5.929 -1.394 1.00 52.43 H new ATOM 0 HG23 THR A 16 28.466 5.673 -1.334 1.00 52.43 H new ATOM 190 N SER A 17 29.514 1.164 -0.274 1.00 53.04 N ATOM 191 CA SER A 17 29.882 -0.146 0.135 1.00 52.10 C ATOM 192 C SER A 17 29.656 -1.056 -1.061 1.00 61.15 C ATOM 193 O SER A 17 28.526 -1.232 -1.509 1.00 12.35 O ATOM 194 CB SER A 17 29.009 -0.546 1.305 1.00 13.42 C ATOM 195 OG SER A 17 29.012 0.501 2.279 1.00 72.44 O ATOM 0 H SER A 17 28.577 1.443 0.016 1.00 53.04 H new ATOM 0 HA SER A 17 30.922 -0.208 0.454 1.00 52.10 H new ATOM 0 HB2 SER A 17 27.991 -0.738 0.965 1.00 13.42 H new ATOM 0 HB3 SER A 17 29.377 -1.471 1.748 1.00 13.42 H new ATOM 0 HG SER A 17 28.446 0.245 3.037 1.00 72.44 H new ATOM 201 N GLN A 18 30.723 -1.560 -1.605 1.00 32.21 N ATOM 202 CA GLN A 18 30.655 -2.347 -2.805 1.00 74.22 C ATOM 203 C GLN A 18 30.637 -3.812 -2.471 1.00 44.22 C ATOM 204 O GLN A 18 31.190 -4.234 -1.449 1.00 45.43 O ATOM 205 CB GLN A 18 31.865 -2.048 -3.690 1.00 3.15 C ATOM 206 CG GLN A 18 31.969 -0.604 -4.151 1.00 61.15 C ATOM 207 CD GLN A 18 33.268 -0.339 -4.877 1.00 34.22 C ATOM 208 OE1 GLN A 18 33.365 -0.488 -6.104 1.00 45.24 O ATOM 209 NE2 GLN A 18 34.278 0.050 -4.139 1.00 0.13 N ATOM 0 H GLN A 18 31.665 -1.439 -1.232 1.00 32.21 H new ATOM 0 HA GLN A 18 29.738 -2.090 -3.336 1.00 74.22 H new ATOM 0 HB2 GLN A 18 32.772 -2.307 -3.143 1.00 3.15 H new ATOM 0 HB3 GLN A 18 31.826 -2.694 -4.567 1.00 3.15 H new ATOM 0 HG2 GLN A 18 31.131 -0.371 -4.808 1.00 61.15 H new ATOM 0 HG3 GLN A 18 31.892 0.059 -3.289 1.00 61.15 H new ATOM 0 HE21 GLN A 18 34.161 0.162 -3.132 1.00 0.13 H new ATOM 0 HE22 GLN A 18 35.182 0.241 -4.571 1.00 0.13 H new ATOM 218 N ILE A 19 29.998 -4.576 -3.291 1.00 44.01 N ATOM 219 CA ILE A 19 30.021 -6.000 -3.151 1.00 23.43 C ATOM 220 C ILE A 19 31.290 -6.497 -3.850 1.00 41.50 C ATOM 221 O ILE A 19 31.548 -6.120 -5.002 1.00 14.42 O ATOM 222 CB ILE A 19 28.760 -6.657 -3.785 1.00 12.45 C ATOM 223 CG1 ILE A 19 27.483 -6.079 -3.141 1.00 22.44 C ATOM 224 CG2 ILE A 19 28.801 -8.183 -3.629 1.00 51.15 C ATOM 225 CD1 ILE A 19 26.188 -6.612 -3.725 1.00 62.31 C ATOM 0 H ILE A 19 29.445 -4.236 -4.077 1.00 44.01 H new ATOM 0 HA ILE A 19 30.018 -6.273 -2.096 1.00 23.43 H new ATOM 0 HB ILE A 19 28.750 -6.429 -4.851 1.00 12.45 H new ATOM 0 HG12 ILE A 19 27.501 -6.294 -2.073 1.00 22.44 H new ATOM 0 HG13 ILE A 19 27.496 -4.994 -3.248 1.00 22.44 H new ATOM 0 HG21 ILE A 19 27.909 -8.619 -4.080 1.00 51.15 H new ATOM 0 HG22 ILE A 19 29.688 -8.576 -4.126 1.00 51.15 H new ATOM 0 HG23 ILE A 19 28.835 -8.440 -2.570 1.00 51.15 H new ATOM 0 HD11 ILE A 19 25.342 -6.153 -3.214 1.00 62.31 H new ATOM 0 HD12 ILE A 19 26.143 -6.374 -4.788 1.00 62.31 H new ATOM 0 HD13 ILE A 19 26.148 -7.693 -3.594 1.00 62.31 H new ATOM 237 N PRO A 20 32.128 -7.274 -3.159 1.00 42.12 N ATOM 238 CA PRO A 20 33.368 -7.779 -3.731 1.00 24.14 C ATOM 239 C PRO A 20 33.112 -8.772 -4.865 1.00 41.43 C ATOM 240 O PRO A 20 32.114 -9.506 -4.859 1.00 54.35 O ATOM 241 CB PRO A 20 34.067 -8.466 -2.551 1.00 53.30 C ATOM 242 CG PRO A 20 32.980 -8.774 -1.582 1.00 1.42 C ATOM 243 CD PRO A 20 31.931 -7.722 -1.772 1.00 14.14 C ATOM 0 HA PRO A 20 33.965 -6.983 -4.177 1.00 24.14 H new ATOM 0 HB2 PRO A 20 34.579 -9.374 -2.870 1.00 53.30 H new ATOM 0 HB3 PRO A 20 34.820 -7.815 -2.106 1.00 53.30 H new ATOM 0 HG2 PRO A 20 32.570 -9.768 -1.762 1.00 1.42 H new ATOM 0 HG3 PRO A 20 33.358 -8.765 -0.560 1.00 1.42 H new ATOM 0 HD2 PRO A 20 30.929 -8.124 -1.620 1.00 14.14 H new ATOM 0 HD3 PRO A 20 32.055 -6.901 -1.065 1.00 14.14 H new ATOM 251 N ALA A 21 33.995 -8.774 -5.832 1.00 65.43 N ATOM 252 CA ALA A 21 33.894 -9.659 -6.966 1.00 14.44 C ATOM 253 C ALA A 21 34.435 -11.019 -6.584 1.00 3.11 C ATOM 254 O ALA A 21 33.927 -12.057 -7.026 1.00 3.25 O ATOM 255 CB ALA A 21 34.655 -9.093 -8.153 1.00 30.13 C ATOM 0 H ALA A 21 34.808 -8.159 -5.855 1.00 65.43 H new ATOM 0 HA ALA A 21 32.848 -9.757 -7.256 1.00 14.44 H new ATOM 0 HB1 ALA A 21 34.568 -9.774 -8.999 1.00 30.13 H new ATOM 0 HB2 ALA A 21 34.238 -8.123 -8.423 1.00 30.13 H new ATOM 0 HB3 ALA A 21 35.706 -8.975 -7.889 1.00 30.13 H new ATOM 261 N SER A 22 35.454 -11.013 -5.748 1.00 30.10 N ATOM 262 CA SER A 22 36.027 -12.223 -5.263 1.00 45.52 C ATOM 263 C SER A 22 36.759 -11.979 -3.968 1.00 75.41 C ATOM 264 O SER A 22 37.581 -11.075 -3.859 1.00 42.35 O ATOM 265 CB SER A 22 36.963 -12.857 -6.294 1.00 50.13 C ATOM 266 OG SER A 22 37.442 -14.124 -5.850 1.00 10.35 O ATOM 0 H SER A 22 35.897 -10.165 -5.395 1.00 30.10 H new ATOM 0 HA SER A 22 35.212 -12.923 -5.081 1.00 45.52 H new ATOM 0 HB2 SER A 22 36.437 -12.977 -7.241 1.00 50.13 H new ATOM 0 HB3 SER A 22 37.806 -12.192 -6.480 1.00 50.13 H new ATOM 0 HG SER A 22 38.296 -14.006 -5.384 1.00 10.35 H new ATOM 272 N GLU A 23 36.421 -12.761 -2.997 1.00 72.13 N ATOM 273 CA GLU A 23 37.088 -12.753 -1.706 1.00 51.30 C ATOM 274 C GLU A 23 37.930 -14.009 -1.636 1.00 35.14 C ATOM 275 O GLU A 23 38.690 -14.244 -0.690 1.00 1.53 O ATOM 276 CB GLU A 23 36.052 -12.803 -0.599 1.00 40.41 C ATOM 277 CG GLU A 23 35.019 -11.709 -0.680 1.00 65.24 C ATOM 278 CD GLU A 23 33.958 -11.868 0.355 1.00 41.23 C ATOM 279 OE1 GLU A 23 33.151 -12.827 0.252 1.00 64.50 O ATOM 280 OE2 GLU A 23 33.880 -11.037 1.275 1.00 12.14 O ATOM 0 H GLU A 23 35.663 -13.440 -3.064 1.00 72.13 H new ATOM 0 HA GLU A 23 37.694 -11.855 -1.590 1.00 51.30 H new ATOM 0 HB2 GLU A 23 35.547 -13.769 -0.630 1.00 40.41 H new ATOM 0 HB3 GLU A 23 36.560 -12.739 0.364 1.00 40.41 H new ATOM 0 HG2 GLU A 23 35.505 -10.741 -0.556 1.00 65.24 H new ATOM 0 HG3 GLU A 23 34.564 -11.712 -1.670 1.00 65.24 H new ATOM 287 N GLN A 24 37.783 -14.800 -2.675 1.00 53.33 N ATOM 288 CA GLN A 24 38.402 -16.079 -2.784 1.00 25.11 C ATOM 289 C GLN A 24 39.727 -15.933 -3.464 1.00 21.45 C ATOM 290 O GLN A 24 39.873 -15.116 -4.379 1.00 14.43 O ATOM 291 CB GLN A 24 37.519 -17.006 -3.606 1.00 75.42 C ATOM 292 CG GLN A 24 36.129 -17.198 -3.043 1.00 1.02 C ATOM 293 CD GLN A 24 35.276 -18.063 -3.929 1.00 43.30 C ATOM 294 OE1 GLN A 24 35.256 -19.281 -3.785 1.00 22.24 O ATOM 295 NE2 GLN A 24 34.571 -17.461 -4.846 1.00 2.23 N ATOM 0 H GLN A 24 37.212 -14.554 -3.483 1.00 53.33 H new ATOM 0 HA GLN A 24 38.542 -16.498 -1.787 1.00 25.11 H new ATOM 0 HB2 GLN A 24 37.437 -16.609 -4.618 1.00 75.42 H new ATOM 0 HB3 GLN A 24 38.005 -17.979 -3.683 1.00 75.42 H new ATOM 0 HG2 GLN A 24 36.198 -17.650 -2.053 1.00 1.02 H new ATOM 0 HG3 GLN A 24 35.652 -16.226 -2.917 1.00 1.02 H new ATOM 0 HE21 GLN A 24 34.612 -16.446 -4.937 1.00 2.23 H new ATOM 0 HE22 GLN A 24 33.978 -18.005 -5.473 1.00 2.23 H new ATOM 304 N GLU A 25 40.669 -16.706 -3.039 1.00 20.02 N ATOM 305 CA GLU A 25 41.974 -16.676 -3.610 1.00 11.33 C ATOM 306 C GLU A 25 42.045 -17.594 -4.811 1.00 22.14 C ATOM 307 O GLU A 25 41.084 -18.318 -5.132 1.00 34.32 O ATOM 308 CB GLU A 25 43.008 -17.064 -2.584 1.00 63.05 C ATOM 309 CG GLU A 25 43.101 -16.112 -1.424 1.00 74.12 C ATOM 310 CD GLU A 25 44.098 -16.565 -0.412 1.00 42.43 C ATOM 311 OE1 GLU A 25 45.313 -16.492 -0.690 1.00 53.42 O ATOM 312 OE2 GLU A 25 43.681 -17.007 0.680 1.00 41.50 O ATOM 0 H GLU A 25 40.555 -17.380 -2.282 1.00 20.02 H new ATOM 0 HA GLU A 25 42.184 -15.659 -3.941 1.00 11.33 H new ATOM 0 HB2 GLU A 25 42.776 -18.060 -2.207 1.00 63.05 H new ATOM 0 HB3 GLU A 25 43.982 -17.126 -3.069 1.00 63.05 H new ATOM 0 HG2 GLU A 25 43.377 -15.122 -1.788 1.00 74.12 H new ATOM 0 HG3 GLU A 25 42.123 -16.017 -0.953 1.00 74.12 H new ATOM 319 N THR A 26 43.144 -17.562 -5.465 1.00 51.52 N ATOM 320 CA THR A 26 43.359 -18.331 -6.632 1.00 53.31 C ATOM 321 C THR A 26 44.246 -19.518 -6.300 1.00 53.35 C ATOM 322 O THR A 26 45.316 -19.343 -5.708 1.00 30.52 O ATOM 323 CB THR A 26 44.082 -17.453 -7.673 1.00 42.31 C ATOM 324 OG1 THR A 26 43.406 -16.187 -7.781 1.00 20.15 O ATOM 325 CG2 THR A 26 44.111 -18.129 -9.037 1.00 70.41 C ATOM 0 H THR A 26 43.941 -16.985 -5.197 1.00 51.52 H new ATOM 0 HA THR A 26 42.404 -18.682 -7.023 1.00 53.31 H new ATOM 0 HB THR A 26 45.110 -17.303 -7.342 1.00 42.31 H new ATOM 0 HG1 THR A 26 43.865 -15.626 -8.441 1.00 20.15 H new ATOM 0 HG21 THR A 26 44.627 -17.487 -9.751 1.00 70.41 H new ATOM 0 HG22 THR A 26 44.636 -19.081 -8.960 1.00 70.41 H new ATOM 0 HG23 THR A 26 43.091 -18.304 -9.378 1.00 70.41 H new ATOM 333 N LEU A 27 43.790 -20.710 -6.620 1.00 5.11 N ATOM 334 CA LEU A 27 44.634 -21.870 -6.520 1.00 60.50 C ATOM 335 C LEU A 27 45.537 -21.846 -7.704 1.00 75.55 C ATOM 336 O LEU A 27 45.073 -21.894 -8.847 1.00 13.21 O ATOM 337 CB LEU A 27 43.831 -23.177 -6.500 1.00 70.13 C ATOM 338 CG LEU A 27 43.087 -23.503 -5.211 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.234 -24.736 -5.403 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.071 -23.757 -4.093 1.00 40.21 C ATOM 0 H LEU A 27 42.843 -20.896 -6.950 1.00 5.11 H new ATOM 0 HA LEU A 27 45.189 -21.838 -5.582 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.105 -23.143 -7.313 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.513 -23.999 -6.716 1.00 70.13 H new ATOM 0 HG LEU A 27 42.453 -22.654 -4.954 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.706 -24.961 -4.476 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.511 -24.558 -6.199 1.00 0.21 H new ATOM 0 HD13 LEU A 27 42.869 -25.580 -5.673 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.528 -23.989 -3.177 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.713 -24.597 -4.357 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.682 -22.868 -3.938 1.00 40.21 H new ATOM 352 N VAL A 28 46.792 -21.753 -7.469 1.00 40.25 N ATOM 353 CA VAL A 28 47.728 -21.626 -8.537 1.00 11.42 C ATOM 354 C VAL A 28 48.345 -22.969 -8.831 1.00 51.22 C ATOM 355 O VAL A 28 48.430 -23.841 -7.949 1.00 23.41 O ATOM 356 CB VAL A 28 48.833 -20.566 -8.209 1.00 72.31 C ATOM 357 CG1 VAL A 28 48.205 -19.230 -7.834 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.774 -21.034 -7.107 1.00 61.10 C ATOM 0 H VAL A 28 47.205 -21.762 -6.537 1.00 40.25 H new ATOM 0 HA VAL A 28 47.197 -21.275 -9.421 1.00 11.42 H new ATOM 0 HB VAL A 28 49.428 -20.439 -9.114 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.991 -18.509 -7.610 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.603 -18.864 -8.666 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.571 -19.359 -6.957 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.522 -20.264 -6.916 1.00 61.10 H new ATOM 0 HG22 VAL A 28 49.204 -21.220 -6.197 1.00 61.10 H new ATOM 0 HG23 VAL A 28 50.270 -21.953 -7.418 1.00 61.10 H new ATOM 368 N ARG A 29 48.706 -23.160 -10.067 1.00 35.24 N ATOM 369 CA ARG A 29 49.317 -24.389 -10.500 1.00 74.24 C ATOM 370 C ARG A 29 50.765 -24.099 -10.752 1.00 40.32 C ATOM 371 O ARG A 29 51.091 -23.465 -11.737 1.00 20.51 O ATOM 372 CB ARG A 29 48.647 -24.902 -11.766 1.00 11.01 C ATOM 373 CG ARG A 29 47.189 -25.267 -11.592 1.00 63.52 C ATOM 374 CD ARG A 29 46.578 -25.701 -12.908 1.00 40.33 C ATOM 375 NE ARG A 29 46.549 -24.612 -13.899 1.00 65.21 N ATOM 376 CZ ARG A 29 46.081 -24.729 -15.156 1.00 15.23 C ATOM 377 NH1 ARG A 29 45.645 -25.896 -15.608 1.00 52.24 N ATOM 378 NH2 ARG A 29 46.085 -23.672 -15.955 1.00 32.15 N ATOM 0 H ARG A 29 48.586 -22.468 -10.807 1.00 35.24 H new ATOM 0 HA ARG A 29 49.206 -25.162 -9.739 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.729 -24.140 -12.541 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.189 -25.778 -12.121 1.00 11.01 H new ATOM 0 HG2 ARG A 29 47.096 -26.070 -10.861 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.641 -24.412 -11.197 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.146 -26.540 -13.310 1.00 40.33 H new ATOM 0 HD3 ARG A 29 45.563 -26.058 -12.734 1.00 40.33 H new ATOM 0 HE ARG A 29 46.910 -23.702 -13.612 1.00 65.21 H new ATOM 0 HH11 ARG A 29 45.662 -26.716 -15.002 1.00 52.24 H new ATOM 0 HH12 ARG A 29 45.292 -25.974 -16.562 1.00 52.24 H new ATOM 0 HH21 ARG A 29 46.441 -22.778 -15.616 1.00 32.15 H new ATOM 0 HH22 ARG A 29 45.732 -23.752 -16.909 1.00 32.15 H new ATOM 392 N PRO A 30 51.633 -24.513 -9.853 1.00 1.41 N ATOM 393 CA PRO A 30 53.039 -24.140 -9.894 1.00 43.14 C ATOM 394 C PRO A 30 53.892 -24.926 -10.892 1.00 24.23 C ATOM 395 O PRO A 30 53.629 -26.100 -11.196 1.00 23.12 O ATOM 396 CB PRO A 30 53.501 -24.428 -8.470 1.00 54.02 C ATOM 397 CG PRO A 30 52.657 -25.568 -8.023 1.00 53.23 C ATOM 398 CD PRO A 30 51.332 -25.409 -8.711 1.00 55.33 C ATOM 0 HA PRO A 30 53.153 -23.109 -10.227 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.560 -24.684 -8.441 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.366 -23.559 -7.826 1.00 54.02 H new ATOM 0 HG2 PRO A 30 53.119 -26.520 -8.285 1.00 53.23 H new ATOM 0 HG3 PRO A 30 52.536 -25.560 -6.940 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.938 -26.368 -9.048 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.586 -24.974 -8.047 1.00 55.33 H new ATOM 406 N LYS A 31 54.900 -24.245 -11.413 1.00 71.41 N ATOM 407 CA LYS A 31 55.924 -24.858 -12.236 1.00 13.12 C ATOM 408 C LYS A 31 56.755 -25.813 -11.350 1.00 60.43 C ATOM 409 O LYS A 31 56.738 -25.679 -10.112 1.00 12.54 O ATOM 410 CB LYS A 31 56.852 -23.770 -12.835 1.00 45.42 C ATOM 411 CG LYS A 31 56.207 -22.832 -13.856 1.00 33.03 C ATOM 412 CD LYS A 31 57.236 -21.825 -14.370 1.00 44.22 C ATOM 413 CE LYS A 31 56.657 -20.836 -15.379 1.00 72.11 C ATOM 414 NZ LYS A 31 56.210 -21.480 -16.633 1.00 53.45 N ATOM 0 H LYS A 31 55.029 -23.243 -11.274 1.00 71.41 H new ATOM 0 HA LYS A 31 55.458 -25.407 -13.054 1.00 13.12 H new ATOM 0 HB2 LYS A 31 57.249 -23.168 -12.018 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.700 -24.264 -13.309 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.805 -23.410 -14.688 1.00 33.03 H new ATOM 0 HG3 LYS A 31 55.369 -22.306 -13.399 1.00 33.03 H new ATOM 0 HD2 LYS A 31 57.648 -21.273 -13.525 1.00 44.22 H new ATOM 0 HD3 LYS A 31 58.063 -22.364 -14.833 1.00 44.22 H new ATOM 0 HE2 LYS A 31 55.814 -20.315 -14.925 1.00 72.11 H new ATOM 0 HE3 LYS A 31 57.409 -20.083 -15.613 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.827 -20.758 -17.277 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 57.017 -21.955 -17.086 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 55.471 -22.180 -16.420 1.00 53.45 H new ATOM 428 N PRO A 32 57.514 -26.766 -11.954 1.00 4.31 N ATOM 429 CA PRO A 32 58.361 -27.746 -11.218 1.00 5.12 C ATOM 430 C PRO A 32 59.318 -27.090 -10.227 1.00 74.20 C ATOM 431 O PRO A 32 59.684 -27.676 -9.216 1.00 50.13 O ATOM 432 CB PRO A 32 59.163 -28.426 -12.334 1.00 54.05 C ATOM 433 CG PRO A 32 58.996 -27.533 -13.513 1.00 52.24 C ATOM 434 CD PRO A 32 57.608 -27.010 -13.401 1.00 71.25 C ATOM 0 HA PRO A 32 57.751 -28.421 -10.618 1.00 5.12 H new ATOM 0 HB2 PRO A 32 60.213 -28.530 -12.061 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.786 -29.428 -12.539 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.726 -26.723 -13.502 1.00 52.24 H new ATOM 0 HG3 PRO A 32 59.139 -28.079 -14.446 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.462 -26.100 -13.983 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.867 -27.731 -13.746 1.00 71.25 H new ATOM 442 N LEU A 33 59.685 -25.871 -10.519 1.00 43.22 N ATOM 443 CA LEU A 33 60.581 -25.102 -9.690 1.00 61.34 C ATOM 444 C LEU A 33 59.922 -24.806 -8.330 1.00 33.42 C ATOM 445 O LEU A 33 60.545 -24.912 -7.262 1.00 21.42 O ATOM 446 CB LEU A 33 60.938 -23.823 -10.435 1.00 61.22 C ATOM 447 CG LEU A 33 61.535 -24.054 -11.831 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.709 -22.751 -12.573 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.859 -24.803 -11.736 1.00 21.44 C ATOM 0 H LEU A 33 59.367 -25.375 -11.351 1.00 43.22 H new ATOM 0 HA LEU A 33 61.494 -25.662 -9.487 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.042 -23.210 -10.532 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.650 -23.254 -9.837 1.00 61.22 H new ATOM 0 HG LEU A 33 60.834 -24.669 -12.396 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.133 -22.947 -13.558 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.740 -22.264 -12.686 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.379 -22.100 -12.012 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.263 -24.955 -12.737 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.565 -24.220 -11.144 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.697 -25.770 -11.259 1.00 21.44 H new ATOM 461 N LEU A 34 58.652 -24.508 -8.361 1.00 3.45 N ATOM 462 CA LEU A 34 57.940 -24.275 -7.141 1.00 64.14 C ATOM 463 C LEU A 34 57.612 -25.593 -6.495 1.00 22.24 C ATOM 464 O LEU A 34 57.695 -25.724 -5.297 1.00 75.12 O ATOM 465 CB LEU A 34 56.703 -23.386 -7.339 1.00 35.35 C ATOM 466 CG LEU A 34 56.944 -21.859 -7.363 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.967 -21.456 -8.413 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.637 -21.115 -7.584 1.00 52.54 C ATOM 0 H LEU A 34 58.095 -24.422 -9.211 1.00 3.45 H new ATOM 0 HA LEU A 34 58.584 -23.711 -6.466 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.226 -23.670 -8.277 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.994 -23.606 -6.541 1.00 35.35 H new ATOM 0 HG LEU A 34 57.350 -21.583 -6.390 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.103 -20.375 -8.392 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.918 -21.945 -8.201 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.615 -21.759 -9.399 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.827 -20.042 -7.598 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.202 -21.419 -8.536 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.943 -21.350 -6.777 1.00 52.54 H new ATOM 480 N LEU A 35 57.321 -26.594 -7.313 1.00 65.12 N ATOM 481 CA LEU A 35 57.067 -27.942 -6.820 1.00 5.32 C ATOM 482 C LEU A 35 58.248 -28.483 -6.027 1.00 54.41 C ATOM 483 O LEU A 35 58.058 -29.127 -4.983 1.00 53.44 O ATOM 484 CB LEU A 35 56.732 -28.887 -7.955 1.00 2.42 C ATOM 485 CG LEU A 35 55.398 -28.645 -8.646 1.00 12.12 C ATOM 486 CD1 LEU A 35 55.248 -29.599 -9.790 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.250 -28.836 -7.665 1.00 71.40 C ATOM 0 H LEU A 35 57.254 -26.498 -8.326 1.00 65.12 H new ATOM 0 HA LEU A 35 56.208 -27.878 -6.152 1.00 5.32 H new ATOM 0 HB2 LEU A 35 57.523 -28.823 -8.702 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.740 -29.906 -7.569 1.00 2.42 H new ATOM 0 HG LEU A 35 55.373 -27.621 -9.018 1.00 12.12 H new ATOM 0 HD11 LEU A 35 54.293 -29.426 -10.285 1.00 24.24 H new ATOM 0 HD12 LEU A 35 56.059 -29.444 -10.502 1.00 24.24 H new ATOM 0 HD13 LEU A 35 55.283 -30.623 -9.417 1.00 24.24 H new ATOM 0 HD21 LEU A 35 53.303 -28.659 -8.175 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.269 -29.854 -7.277 1.00 71.40 H new ATOM 0 HD23 LEU A 35 54.355 -28.131 -6.840 1.00 71.40 H new ATOM 499 N LYS A 36 59.471 -28.199 -6.498 1.00 42.34 N ATOM 500 CA LYS A 36 60.657 -28.663 -5.806 1.00 34.14 C ATOM 501 C LYS A 36 60.752 -27.988 -4.439 1.00 62.12 C ATOM 502 O LYS A 36 61.058 -28.640 -3.439 1.00 31.42 O ATOM 503 CB LYS A 36 61.982 -28.453 -6.618 1.00 22.41 C ATOM 504 CG LYS A 36 62.529 -27.019 -6.642 1.00 43.13 C ATOM 505 CD LYS A 36 63.853 -26.898 -7.396 1.00 75.31 C ATOM 506 CE LYS A 36 64.464 -25.490 -7.250 1.00 21.21 C ATOM 507 NZ LYS A 36 64.895 -25.189 -5.849 1.00 23.02 N ATOM 0 H LYS A 36 59.652 -27.658 -7.343 1.00 42.34 H new ATOM 0 HA LYS A 36 60.550 -29.741 -5.685 1.00 34.14 H new ATOM 0 HB2 LYS A 36 62.748 -29.107 -6.203 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.811 -28.774 -7.646 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.792 -26.363 -7.105 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.667 -26.671 -5.618 1.00 43.13 H new ATOM 0 HD2 LYS A 36 64.556 -27.641 -7.019 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.692 -27.118 -8.451 1.00 75.31 H new ATOM 0 HE2 LYS A 36 65.322 -25.400 -7.917 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.733 -24.747 -7.568 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.404 -24.282 -5.830 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.059 -25.130 -5.234 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.522 -25.945 -5.509 1.00 23.02 H new ATOM 521 N LEU A 37 60.402 -26.695 -4.371 1.00 21.34 N ATOM 522 CA LEU A 37 60.524 -25.993 -3.108 1.00 4.13 C ATOM 523 C LEU A 37 59.408 -26.420 -2.149 1.00 55.22 C ATOM 524 O LEU A 37 59.644 -26.633 -0.963 1.00 44.31 O ATOM 525 CB LEU A 37 60.627 -24.441 -3.296 1.00 20.40 C ATOM 526 CG LEU A 37 59.406 -23.640 -3.804 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.404 -23.340 -2.682 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.858 -22.354 -4.479 1.00 24.22 C ATOM 0 H LEU A 37 60.046 -26.141 -5.150 1.00 21.34 H new ATOM 0 HA LEU A 37 61.468 -26.281 -2.646 1.00 4.13 H new ATOM 0 HB2 LEU A 37 60.915 -24.017 -2.334 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.449 -24.252 -3.987 1.00 20.40 H new ATOM 0 HG LEU A 37 58.891 -24.261 -4.536 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.563 -22.776 -3.086 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.042 -24.276 -2.257 1.00 0.31 H new ATOM 0 HD13 LEU A 37 58.894 -22.754 -1.904 1.00 0.31 H new ATOM 0 HD21 LEU A 37 58.986 -21.802 -4.831 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.411 -21.743 -3.765 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.501 -22.594 -5.325 1.00 24.22 H new ATOM 540 N LEU A 38 58.222 -26.611 -2.707 1.00 2.01 N ATOM 541 CA LEU A 38 57.035 -26.998 -1.962 1.00 62.52 C ATOM 542 C LEU A 38 57.197 -28.343 -1.306 1.00 61.11 C ATOM 543 O LEU A 38 57.015 -28.492 -0.095 1.00 21.21 O ATOM 544 CB LEU A 38 55.817 -27.051 -2.886 1.00 42.14 C ATOM 545 CG LEU A 38 55.352 -25.738 -3.482 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.210 -25.983 -4.448 1.00 63.33 C ATOM 547 CD2 LEU A 38 54.932 -24.777 -2.389 1.00 34.23 C ATOM 0 H LEU A 38 58.055 -26.499 -3.707 1.00 2.01 H new ATOM 0 HA LEU A 38 56.890 -26.245 -1.188 1.00 62.52 H new ATOM 0 HB2 LEU A 38 56.042 -27.735 -3.705 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.986 -27.484 -2.328 1.00 42.14 H new ATOM 0 HG LEU A 38 56.180 -25.287 -4.029 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.882 -25.034 -4.872 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.546 -26.641 -5.249 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.380 -26.450 -3.919 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.601 -23.840 -2.836 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.115 -25.214 -1.815 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.778 -24.585 -1.728 1.00 34.23 H new ATOM 559 N LYS A 39 57.568 -29.324 -2.073 1.00 4.41 N ATOM 560 CA LYS A 39 57.630 -30.658 -1.554 1.00 72.50 C ATOM 561 C LYS A 39 58.853 -30.871 -0.684 1.00 71.11 C ATOM 562 O LYS A 39 58.922 -31.835 0.077 1.00 23.23 O ATOM 563 CB LYS A 39 57.493 -31.687 -2.655 1.00 34.33 C ATOM 564 CG LYS A 39 56.180 -31.557 -3.413 1.00 51.34 C ATOM 565 CD LYS A 39 56.045 -32.624 -4.467 1.00 50.31 C ATOM 566 CE LYS A 39 54.742 -32.485 -5.234 1.00 14.03 C ATOM 567 NZ LYS A 39 54.585 -33.548 -6.241 1.00 31.25 N ATOM 0 H LYS A 39 57.831 -29.228 -3.054 1.00 4.41 H new ATOM 0 HA LYS A 39 56.772 -30.799 -0.896 1.00 72.50 H new ATOM 0 HB2 LYS A 39 58.324 -31.581 -3.353 1.00 34.33 H new ATOM 0 HB3 LYS A 39 57.563 -32.686 -2.225 1.00 34.33 H new ATOM 0 HG2 LYS A 39 55.346 -31.627 -2.714 1.00 51.34 H new ATOM 0 HG3 LYS A 39 56.124 -30.574 -3.880 1.00 51.34 H new ATOM 0 HD2 LYS A 39 56.885 -32.562 -5.159 1.00 50.31 H new ATOM 0 HD3 LYS A 39 56.090 -33.607 -3.999 1.00 50.31 H new ATOM 0 HE2 LYS A 39 53.905 -32.518 -4.537 1.00 14.03 H new ATOM 0 HE3 LYS A 39 54.711 -31.512 -5.724 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 53.684 -33.419 -6.744 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 55.371 -33.501 -6.921 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 54.589 -34.475 -5.770 1.00 31.25 H new ATOM 581 N SER A 40 59.800 -29.957 -0.760 1.00 51.14 N ATOM 582 CA SER A 40 60.921 -29.997 0.134 1.00 42.10 C ATOM 583 C SER A 40 60.529 -29.487 1.530 1.00 14.45 C ATOM 584 O SER A 40 61.189 -29.813 2.523 1.00 42.43 O ATOM 585 CB SER A 40 62.094 -29.188 -0.412 1.00 12.23 C ATOM 586 OG SER A 40 62.580 -29.749 -1.622 1.00 61.15 O ATOM 0 H SER A 40 59.809 -29.187 -1.429 1.00 51.14 H new ATOM 0 HA SER A 40 61.234 -31.038 0.219 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.781 -28.158 -0.584 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.895 -29.158 0.327 1.00 12.23 H new ATOM 0 HG SER A 40 61.892 -29.675 -2.316 1.00 61.15 H new ATOM 592 N VAL A 41 59.441 -28.712 1.610 1.00 11.22 N ATOM 593 CA VAL A 41 59.025 -28.124 2.884 1.00 71.41 C ATOM 594 C VAL A 41 57.768 -28.756 3.470 1.00 64.32 C ATOM 595 O VAL A 41 57.259 -28.304 4.495 1.00 51.12 O ATOM 596 CB VAL A 41 58.908 -26.579 2.832 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.259 -25.966 2.514 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.873 -26.134 1.812 1.00 74.11 C ATOM 0 H VAL A 41 58.841 -28.481 0.818 1.00 11.22 H new ATOM 0 HA VAL A 41 59.838 -28.362 3.570 1.00 71.41 H new ATOM 0 HB VAL A 41 58.579 -26.232 3.812 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.167 -24.880 2.480 1.00 44.32 H new ATOM 0 HG12 VAL A 41 60.976 -26.245 3.286 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.606 -26.332 1.548 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.817 -25.045 1.802 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.159 -26.492 0.823 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.899 -26.545 2.079 1.00 74.11 H new ATOM 608 N GLY A 42 57.294 -29.808 2.848 1.00 13.41 N ATOM 609 CA GLY A 42 56.161 -30.521 3.393 1.00 34.34 C ATOM 610 C GLY A 42 54.832 -30.039 2.861 1.00 74.23 C ATOM 611 O GLY A 42 53.860 -29.895 3.624 1.00 22.34 O ATOM 0 H GLY A 42 57.667 -30.186 1.977 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.269 -31.583 3.170 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.167 -30.421 4.478 1.00 34.34 H new ATOM 615 N ALA A 43 54.792 -29.769 1.577 1.00 52.43 N ATOM 616 CA ALA A 43 53.558 -29.385 0.900 1.00 31.35 C ATOM 617 C ALA A 43 52.649 -30.583 0.769 1.00 13.11 C ATOM 618 O ALA A 43 53.096 -31.688 0.412 1.00 2.23 O ATOM 619 CB ALA A 43 53.843 -28.805 -0.465 1.00 2.41 C ATOM 0 H ALA A 43 55.608 -29.807 0.966 1.00 52.43 H new ATOM 0 HA ALA A 43 53.066 -28.619 1.499 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.905 -28.528 -0.946 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.472 -27.921 -0.361 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.358 -29.547 -1.075 1.00 2.41 H new ATOM 625 N GLN A 44 51.397 -30.365 1.045 1.00 11.11 N ATOM 626 CA GLN A 44 50.414 -31.418 1.054 1.00 14.10 C ATOM 627 C GLN A 44 49.556 -31.365 -0.201 1.00 41.31 C ATOM 628 O GLN A 44 49.302 -32.385 -0.839 1.00 14.35 O ATOM 629 CB GLN A 44 49.542 -31.251 2.292 1.00 34.11 C ATOM 630 CG GLN A 44 50.330 -31.278 3.594 1.00 12.52 C ATOM 631 CD GLN A 44 50.855 -32.652 3.935 1.00 43.54 C ATOM 632 OE1 GLN A 44 51.965 -33.019 3.559 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.079 -33.418 4.657 1.00 5.12 N ATOM 0 H GLN A 44 51.022 -29.444 1.273 1.00 11.11 H new ATOM 0 HA GLN A 44 50.916 -32.385 1.075 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.002 -30.307 2.222 1.00 34.11 H new ATOM 0 HB3 GLN A 44 48.795 -32.045 2.311 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.166 -30.583 3.521 1.00 12.52 H new ATOM 0 HG3 GLN A 44 49.693 -30.926 4.406 1.00 12.52 H new ATOM 0 HE21 GLN A 44 49.163 -33.082 4.953 1.00 5.12 H new ATOM 0 HE22 GLN A 44 50.390 -34.352 4.925 1.00 5.12 H new ATOM 642 N LYS A 45 49.146 -30.178 -0.565 1.00 34.22 N ATOM 643 CA LYS A 45 48.261 -29.979 -1.681 1.00 1.22 C ATOM 644 C LYS A 45 49.039 -29.842 -2.976 1.00 34.45 C ATOM 645 O LYS A 45 50.190 -29.405 -2.986 1.00 73.42 O ATOM 646 CB LYS A 45 47.422 -28.730 -1.445 1.00 41.14 C ATOM 647 CG LYS A 45 46.464 -28.827 -0.270 1.00 41.43 C ATOM 648 CD LYS A 45 45.861 -27.468 0.093 1.00 52.41 C ATOM 649 CE LYS A 45 45.074 -26.836 -1.048 1.00 2.42 C ATOM 650 NZ LYS A 45 44.535 -25.512 -0.668 1.00 21.35 N ATOM 0 H LYS A 45 49.419 -29.317 -0.092 1.00 34.22 H new ATOM 0 HA LYS A 45 47.610 -30.849 -1.768 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.090 -27.884 -1.284 1.00 41.14 H new ATOM 0 HB3 LYS A 45 46.849 -28.516 -2.348 1.00 41.14 H new ATOM 0 HG2 LYS A 45 45.663 -29.526 -0.512 1.00 41.43 H new ATOM 0 HG3 LYS A 45 46.990 -29.232 0.594 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.205 -27.588 0.955 1.00 52.41 H new ATOM 0 HD3 LYS A 45 46.661 -26.791 0.392 1.00 52.41 H new ATOM 0 HE2 LYS A 45 45.718 -26.731 -1.921 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.254 -27.495 -1.335 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.687 -24.839 -1.446 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 43.516 -25.594 -0.475 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.022 -25.171 0.185 1.00 21.35 H new ATOM 664 N ASP A 46 48.398 -30.225 -4.051 1.00 71.23 N ATOM 665 CA ASP A 46 48.961 -30.141 -5.392 1.00 33.11 C ATOM 666 C ASP A 46 48.667 -28.784 -6.006 1.00 43.41 C ATOM 667 O ASP A 46 49.223 -28.419 -7.056 1.00 45.42 O ATOM 668 CB ASP A 46 48.404 -31.256 -6.288 1.00 22.43 C ATOM 669 CG ASP A 46 48.967 -32.622 -5.979 1.00 54.13 C ATOM 670 OD1 ASP A 46 48.486 -33.297 -5.045 1.00 45.24 O ATOM 671 OD2 ASP A 46 49.904 -33.058 -6.680 1.00 72.22 O ATOM 0 H ASP A 46 47.454 -30.612 -4.028 1.00 71.23 H new ATOM 0 HA ASP A 46 50.041 -30.267 -5.315 1.00 33.11 H new ATOM 0 HB2 ASP A 46 47.320 -31.287 -6.182 1.00 22.43 H new ATOM 0 HB3 ASP A 46 48.616 -31.013 -7.329 1.00 22.43 H new ATOM 676 N THR A 47 47.776 -28.063 -5.367 1.00 73.34 N ATOM 677 CA THR A 47 47.408 -26.723 -5.733 1.00 64.41 C ATOM 678 C THR A 47 47.307 -25.912 -4.473 1.00 71.43 C ATOM 679 O THR A 47 46.994 -26.456 -3.425 1.00 40.44 O ATOM 680 CB THR A 47 46.066 -26.695 -6.470 1.00 20.33 C ATOM 681 OG1 THR A 47 45.175 -27.677 -5.907 1.00 44.41 O ATOM 682 CG2 THR A 47 46.244 -26.910 -7.963 1.00 54.35 C ATOM 0 H THR A 47 47.272 -28.409 -4.550 1.00 73.34 H new ATOM 0 HA THR A 47 48.162 -26.313 -6.405 1.00 64.41 H new ATOM 0 HB THR A 47 45.625 -25.707 -6.340 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.318 -27.652 -6.382 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.271 -26.884 -8.453 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.877 -26.122 -8.371 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.712 -27.879 -8.138 1.00 54.35 H new ATOM 690 N TYR A 48 47.567 -24.645 -4.546 1.00 21.32 N ATOM 691 CA TYR A 48 47.576 -23.828 -3.349 1.00 72.11 C ATOM 692 C TYR A 48 47.294 -22.381 -3.692 1.00 63.32 C ATOM 693 O TYR A 48 47.536 -21.964 -4.822 1.00 44.22 O ATOM 694 CB TYR A 48 48.907 -24.025 -2.572 1.00 30.34 C ATOM 695 CG TYR A 48 50.205 -23.612 -3.283 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.415 -23.840 -4.642 1.00 21.34 C ATOM 697 CD2 TYR A 48 51.219 -23.001 -2.575 1.00 63.43 C ATOM 698 CE1 TYR A 48 51.583 -23.470 -5.259 1.00 2.02 C ATOM 699 CE2 TYR A 48 52.394 -22.632 -3.192 1.00 12.51 C ATOM 700 CZ TYR A 48 52.570 -22.866 -4.529 1.00 2.34 C ATOM 701 OH TYR A 48 53.745 -22.495 -5.139 1.00 72.12 O ATOM 0 H TYR A 48 47.776 -24.146 -5.410 1.00 21.32 H new ATOM 0 HA TYR A 48 46.775 -24.148 -2.683 1.00 72.11 H new ATOM 0 HB2 TYR A 48 48.840 -23.464 -1.640 1.00 30.34 H new ATOM 0 HB3 TYR A 48 48.989 -25.079 -2.305 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.640 -24.319 -5.223 1.00 21.34 H new ATOM 0 HD2 TYR A 48 51.090 -22.809 -1.520 1.00 63.43 H new ATOM 0 HE1 TYR A 48 51.723 -23.654 -6.314 1.00 2.02 H new ATOM 0 HE2 TYR A 48 53.177 -22.157 -2.620 1.00 12.51 H new ATOM 0 HH TYR A 48 54.339 -22.079 -4.480 1.00 72.12 H new ATOM 711 N THR A 49 46.748 -21.637 -2.751 1.00 4.35 N ATOM 712 CA THR A 49 46.374 -20.277 -2.986 1.00 1.34 C ATOM 713 C THR A 49 47.539 -19.353 -2.742 1.00 15.00 C ATOM 714 O THR A 49 48.593 -19.801 -2.270 1.00 52.25 O ATOM 715 CB THR A 49 45.187 -19.885 -2.084 1.00 51.02 C ATOM 716 OG1 THR A 49 45.464 -20.268 -0.738 1.00 64.22 O ATOM 717 CG2 THR A 49 43.903 -20.552 -2.536 1.00 61.52 C ATOM 0 H THR A 49 46.555 -21.968 -1.806 1.00 4.35 H new ATOM 0 HA THR A 49 46.071 -20.181 -4.029 1.00 1.34 H new ATOM 0 HB THR A 49 45.056 -18.805 -2.152 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.217 -21.207 -0.608 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.087 -20.254 -1.878 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.675 -20.248 -3.558 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.022 -21.635 -2.498 1.00 61.52 H new ATOM 725 N MET A 50 47.340 -18.079 -3.058 1.00 21.14 N ATOM 726 CA MET A 50 48.326 -17.007 -2.858 1.00 1.43 C ATOM 727 C MET A 50 48.913 -17.095 -1.454 1.00 72.53 C ATOM 728 O MET A 50 50.119 -17.208 -1.285 1.00 74.21 O ATOM 729 CB MET A 50 47.608 -15.655 -3.029 1.00 22.31 C ATOM 730 CG MET A 50 48.435 -14.378 -2.792 1.00 4.50 C ATOM 731 SD MET A 50 49.130 -13.628 -4.302 1.00 33.11 S ATOM 732 CE MET A 50 50.474 -14.724 -4.715 1.00 73.31 C ATOM 0 H MET A 50 46.468 -17.747 -3.471 1.00 21.14 H new ATOM 0 HA MET A 50 49.134 -17.105 -3.583 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.206 -15.613 -4.041 1.00 22.31 H new ATOM 0 HB3 MET A 50 46.758 -15.637 -2.347 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.805 -13.641 -2.294 1.00 4.50 H new ATOM 0 HG3 MET A 50 49.252 -14.612 -2.110 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.046 -14.302 -5.541 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.124 -14.846 -3.848 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.075 -15.695 -5.008 1.00 73.31 H new ATOM 742 N LYS A 51 48.040 -17.127 -0.473 1.00 14.32 N ATOM 743 CA LYS A 51 48.414 -17.145 0.942 1.00 64.44 C ATOM 744 C LYS A 51 49.169 -18.428 1.302 1.00 30.11 C ATOM 745 O LYS A 51 50.061 -18.419 2.145 1.00 14.04 O ATOM 746 CB LYS A 51 47.150 -17.082 1.764 1.00 41.10 C ATOM 747 CG LYS A 51 47.361 -16.784 3.232 1.00 73.21 C ATOM 748 CD LYS A 51 46.045 -16.776 3.978 1.00 42.42 C ATOM 749 CE LYS A 51 46.230 -16.335 5.414 1.00 70.32 C ATOM 750 NZ LYS A 51 44.977 -16.419 6.178 1.00 25.31 N ATOM 0 H LYS A 51 47.032 -17.142 -0.627 1.00 14.32 H new ATOM 0 HA LYS A 51 49.065 -16.295 1.145 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.497 -16.317 1.343 1.00 41.10 H new ATOM 0 HB3 LYS A 51 46.626 -18.034 1.673 1.00 41.10 H new ATOM 0 HG2 LYS A 51 48.025 -17.531 3.667 1.00 73.21 H new ATOM 0 HG3 LYS A 51 47.852 -15.817 3.344 1.00 73.21 H new ATOM 0 HD2 LYS A 51 45.345 -16.107 3.477 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.605 -17.773 3.955 1.00 42.42 H new ATOM 0 HE2 LYS A 51 46.988 -16.957 5.890 1.00 70.32 H new ATOM 0 HE3 LYS A 51 46.600 -15.310 5.434 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 45.145 -16.109 7.156 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 44.261 -15.806 5.739 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.637 -17.402 6.180 1.00 25.31 H new ATOM 764 N GLU A 52 48.821 -19.515 0.660 1.00 55.54 N ATOM 765 CA GLU A 52 49.459 -20.789 0.936 1.00 75.23 C ATOM 766 C GLU A 52 50.886 -20.807 0.413 1.00 14.34 C ATOM 767 O GLU A 52 51.744 -21.529 0.939 1.00 34.14 O ATOM 768 CB GLU A 52 48.633 -21.944 0.397 1.00 51.14 C ATOM 769 CG GLU A 52 47.288 -22.083 1.088 1.00 60.21 C ATOM 770 CD GLU A 52 46.428 -23.160 0.492 1.00 40.45 C ATOM 771 OE1 GLU A 52 45.739 -22.899 -0.511 1.00 4.25 O ATOM 772 OE2 GLU A 52 46.394 -24.282 1.025 1.00 34.40 O ATOM 0 H GLU A 52 48.099 -19.549 -0.059 1.00 55.54 H new ATOM 0 HA GLU A 52 49.513 -20.917 2.017 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.473 -21.802 -0.672 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.194 -22.871 0.515 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.449 -22.298 2.144 1.00 60.21 H new ATOM 0 HG3 GLU A 52 46.758 -21.132 1.034 1.00 60.21 H new ATOM 779 N VAL A 53 51.151 -19.983 -0.594 1.00 43.32 N ATOM 780 CA VAL A 53 52.497 -19.828 -1.107 1.00 51.12 C ATOM 781 C VAL A 53 53.309 -19.166 -0.036 1.00 21.10 C ATOM 782 O VAL A 53 54.353 -19.637 0.287 1.00 11.23 O ATOM 783 CB VAL A 53 52.565 -18.991 -2.398 1.00 30.31 C ATOM 784 CG1 VAL A 53 53.927 -19.132 -3.038 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.473 -19.380 -3.368 1.00 10.42 C ATOM 0 H VAL A 53 50.449 -19.415 -1.068 1.00 43.32 H new ATOM 0 HA VAL A 53 52.882 -20.814 -1.366 1.00 51.12 H new ATOM 0 HB VAL A 53 52.408 -17.946 -2.133 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.964 -18.536 -3.950 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.693 -18.783 -2.345 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.108 -20.179 -3.281 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.551 -18.769 -4.268 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.579 -20.432 -3.633 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.500 -19.220 -2.904 1.00 10.42 H new ATOM 795 N LEU A 54 52.789 -18.083 0.536 1.00 70.30 N ATOM 796 CA LEU A 54 53.387 -17.433 1.686 1.00 2.43 C ATOM 797 C LEU A 54 53.801 -18.438 2.749 1.00 14.03 C ATOM 798 O LEU A 54 54.901 -18.367 3.264 1.00 21.52 O ATOM 799 CB LEU A 54 52.407 -16.436 2.293 1.00 11.33 C ATOM 800 CG LEU A 54 52.234 -15.102 1.574 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.786 -15.218 0.140 1.00 70.35 C ATOM 802 CD2 LEU A 54 51.375 -14.161 2.374 1.00 72.44 C ATOM 0 H LEU A 54 51.935 -17.633 0.208 1.00 70.30 H new ATOM 0 HA LEU A 54 54.280 -16.914 1.339 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.430 -16.916 2.353 1.00 11.33 H new ATOM 0 HB3 LEU A 54 52.724 -16.230 3.315 1.00 11.33 H new ATOM 0 HG LEU A 54 53.233 -14.671 1.506 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.689 -14.222 -0.293 1.00 70.35 H new ATOM 0 HD12 LEU A 54 52.522 -15.789 -0.426 1.00 70.35 H new ATOM 0 HD13 LEU A 54 50.823 -15.726 0.100 1.00 70.35 H new ATOM 0 HD21 LEU A 54 51.270 -13.219 1.836 1.00 72.44 H new ATOM 0 HD22 LEU A 54 50.391 -14.605 2.524 1.00 72.44 H new ATOM 0 HD23 LEU A 54 51.841 -13.976 3.342 1.00 72.44 H new ATOM 814 N PHE A 55 52.952 -19.405 3.011 1.00 3.44 N ATOM 815 CA PHE A 55 53.259 -20.390 4.033 1.00 31.34 C ATOM 816 C PHE A 55 54.454 -21.253 3.629 1.00 34.30 C ATOM 817 O PHE A 55 55.493 -21.228 4.269 1.00 13.01 O ATOM 818 CB PHE A 55 52.063 -21.302 4.347 1.00 43.03 C ATOM 819 CG PHE A 55 50.804 -20.606 4.777 1.00 50.44 C ATOM 820 CD1 PHE A 55 50.845 -19.455 5.549 1.00 43.53 C ATOM 821 CD2 PHE A 55 49.574 -21.107 4.398 1.00 13.12 C ATOM 822 CE1 PHE A 55 49.683 -18.828 5.930 1.00 44.21 C ATOM 823 CE2 PHE A 55 48.411 -20.485 4.777 1.00 72.04 C ATOM 824 CZ PHE A 55 48.465 -19.344 5.543 1.00 42.14 C ATOM 0 H PHE A 55 52.056 -19.534 2.541 1.00 3.44 H new ATOM 0 HA PHE A 55 53.504 -19.825 4.932 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.842 -21.897 3.461 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.357 -21.998 5.133 1.00 43.03 H new ATOM 0 HD1 PHE A 55 51.798 -19.048 5.853 1.00 43.53 H new ATOM 0 HD2 PHE A 55 49.527 -22.001 3.795 1.00 13.12 H new ATOM 0 HE1 PHE A 55 49.724 -17.932 6.532 1.00 44.21 H new ATOM 0 HE2 PHE A 55 47.457 -20.890 4.475 1.00 72.04 H new ATOM 0 HZ PHE A 55 47.551 -18.852 5.842 1.00 42.14 H new ATOM 834 N TYR A 56 54.312 -21.973 2.541 1.00 63.30 N ATOM 835 CA TYR A 56 55.314 -22.939 2.122 1.00 1.22 C ATOM 836 C TYR A 56 56.547 -22.308 1.506 1.00 62.54 C ATOM 837 O TYR A 56 57.665 -22.768 1.750 1.00 21.03 O ATOM 838 CB TYR A 56 54.718 -23.963 1.176 1.00 51.34 C ATOM 839 CG TYR A 56 53.657 -24.804 1.813 1.00 64.03 C ATOM 840 CD1 TYR A 56 53.998 -25.882 2.603 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.318 -24.517 1.633 1.00 33.42 C ATOM 842 CE1 TYR A 56 53.035 -26.653 3.201 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.345 -25.280 2.225 1.00 32.12 C ATOM 844 CZ TYR A 56 51.708 -26.349 3.013 1.00 61.21 C ATOM 845 OH TYR A 56 50.736 -27.124 3.603 1.00 44.45 O ATOM 0 H TYR A 56 53.505 -21.910 1.921 1.00 63.30 H new ATOM 0 HA TYR A 56 55.645 -23.437 3.033 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.296 -23.449 0.313 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.512 -24.611 0.804 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.040 -26.123 2.753 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.033 -23.678 1.016 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.318 -27.494 3.816 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.302 -25.044 2.074 1.00 32.12 H new ATOM 0 HH TYR A 56 49.851 -26.772 3.370 1.00 44.45 H new ATOM 855 N LEU A 57 56.363 -21.246 0.737 1.00 33.41 N ATOM 856 CA LEU A 57 57.481 -20.595 0.092 1.00 40.31 C ATOM 857 C LEU A 57 58.334 -19.967 1.182 1.00 40.54 C ATOM 858 O LEU A 57 59.566 -20.026 1.158 1.00 5.14 O ATOM 859 CB LEU A 57 57.012 -19.527 -0.931 1.00 53.03 C ATOM 860 CG LEU A 57 57.869 -19.360 -2.211 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.393 -18.204 -3.071 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.349 -19.234 -1.927 1.00 3.30 C ATOM 0 H LEU A 57 55.454 -20.822 0.548 1.00 33.41 H new ATOM 0 HA LEU A 57 58.059 -21.326 -0.474 1.00 40.31 H new ATOM 0 HB2 LEU A 57 55.994 -19.771 -1.234 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.971 -18.564 -0.422 1.00 53.03 H new ATOM 0 HG LEU A 57 57.729 -20.284 -2.771 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.024 -18.126 -3.957 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.361 -18.377 -3.375 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.452 -17.277 -2.500 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.891 -19.120 -2.866 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.526 -18.362 -1.298 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.698 -20.129 -1.413 1.00 3.30 H new ATOM 874 N GLY A 58 57.641 -19.453 2.180 1.00 34.05 N ATOM 875 CA GLY A 58 58.275 -18.843 3.322 1.00 74.30 C ATOM 876 C GLY A 58 59.119 -19.817 4.080 1.00 10.41 C ATOM 877 O GLY A 58 60.188 -19.457 4.565 1.00 32.52 O ATOM 0 H GLY A 58 56.622 -19.449 2.217 1.00 34.05 H new ATOM 0 HA2 GLY A 58 58.893 -18.008 2.991 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.512 -18.432 3.984 1.00 74.30 H new ATOM 881 N GLN A 59 58.656 -21.066 4.159 1.00 63.23 N ATOM 882 CA GLN A 59 59.404 -22.119 4.820 1.00 64.13 C ATOM 883 C GLN A 59 60.733 -22.286 4.125 1.00 12.12 C ATOM 884 O GLN A 59 61.772 -22.194 4.745 1.00 60.00 O ATOM 885 CB GLN A 59 58.677 -23.474 4.758 1.00 61.45 C ATOM 886 CG GLN A 59 57.260 -23.490 5.279 1.00 71.21 C ATOM 887 CD GLN A 59 57.137 -23.032 6.705 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.057 -23.193 7.525 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.022 -22.453 7.011 1.00 73.55 N ATOM 0 H GLN A 59 57.762 -21.366 3.770 1.00 63.23 H new ATOM 0 HA GLN A 59 59.521 -21.829 5.864 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.666 -23.810 3.721 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.259 -24.202 5.323 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.642 -22.852 4.647 1.00 71.21 H new ATOM 0 HG3 GLN A 59 56.863 -24.502 5.196 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.294 -22.343 6.305 1.00 73.55 H new ATOM 0 HE22 GLN A 59 55.870 -22.107 7.958 1.00 73.55 H new ATOM 898 N TYR A 60 60.667 -22.450 2.812 1.00 52.35 N ATOM 899 CA TYR A 60 61.822 -22.751 1.974 1.00 12.25 C ATOM 900 C TYR A 60 62.898 -21.669 2.046 1.00 54.12 C ATOM 901 O TYR A 60 64.085 -21.971 2.215 1.00 53.15 O ATOM 902 CB TYR A 60 61.366 -22.960 0.528 1.00 33.44 C ATOM 903 CG TYR A 60 62.437 -23.488 -0.395 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.824 -24.818 -0.331 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.038 -22.673 -1.349 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.775 -25.325 -1.183 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.000 -23.176 -2.206 1.00 63.13 C ATOM 908 CZ TYR A 60 64.361 -24.504 -2.116 1.00 64.01 C ATOM 909 OH TYR A 60 65.301 -25.022 -2.973 1.00 62.05 O ATOM 0 H TYR A 60 59.795 -22.377 2.288 1.00 52.35 H new ATOM 0 HA TYR A 60 62.276 -23.666 2.354 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.525 -23.653 0.522 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.000 -22.011 0.135 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.369 -25.467 0.402 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.750 -21.635 -1.421 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.061 -26.365 -1.120 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.465 -22.534 -2.940 1.00 63.13 H new ATOM 0 HH TYR A 60 66.119 -24.485 -2.924 1.00 62.05 H new ATOM 919 N ILE A 61 62.480 -20.425 1.966 1.00 22.33 N ATOM 920 CA ILE A 61 63.408 -19.293 1.955 1.00 54.32 C ATOM 921 C ILE A 61 64.070 -19.182 3.311 1.00 22.41 C ATOM 922 O ILE A 61 65.281 -18.932 3.426 1.00 45.34 O ATOM 923 CB ILE A 61 62.672 -17.951 1.682 1.00 71.30 C ATOM 924 CG1 ILE A 61 61.855 -18.007 0.401 1.00 3.12 C ATOM 925 CG2 ILE A 61 63.664 -16.787 1.592 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.071 -16.735 0.137 1.00 12.42 C ATOM 0 H ILE A 61 61.497 -20.160 1.907 1.00 22.33 H new ATOM 0 HA ILE A 61 64.136 -19.470 1.164 1.00 54.32 H new ATOM 0 HB ILE A 61 61.997 -17.789 2.522 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.522 -18.196 -0.440 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.164 -18.848 0.455 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.122 -15.861 1.401 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.210 -16.700 2.532 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.367 -16.970 0.780 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.510 -16.840 -0.791 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.380 -16.556 0.961 1.00 12.42 H new ATOM 0 HD13 ILE A 61 61.760 -15.894 0.052 1.00 12.42 H new ATOM 938 N MET A 62 63.276 -19.406 4.326 1.00 72.44 N ATOM 939 CA MET A 62 63.698 -19.267 5.683 1.00 41.23 C ATOM 940 C MET A 62 64.591 -20.412 6.113 1.00 61.21 C ATOM 941 O MET A 62 65.663 -20.183 6.621 1.00 12.42 O ATOM 942 CB MET A 62 62.465 -19.139 6.574 1.00 32.32 C ATOM 943 CG MET A 62 62.691 -18.927 8.073 1.00 13.52 C ATOM 944 SD MET A 62 63.225 -20.411 8.977 1.00 44.31 S ATOM 945 CE MET A 62 61.863 -21.540 8.651 1.00 63.31 C ATOM 0 H MET A 62 62.303 -19.695 4.224 1.00 72.44 H new ATOM 0 HA MET A 62 64.301 -18.364 5.780 1.00 41.23 H new ATOM 0 HB2 MET A 62 61.868 -18.306 6.203 1.00 32.32 H new ATOM 0 HB3 MET A 62 61.866 -20.041 6.449 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.440 -18.147 8.207 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.766 -18.560 8.518 1.00 13.52 H new ATOM 0 HE1 MET A 62 61.829 -22.303 9.429 1.00 63.31 H new ATOM 0 HE2 MET A 62 60.925 -20.986 8.645 1.00 63.31 H new ATOM 0 HE3 MET A 62 62.010 -22.017 7.682 1.00 63.31 H new ATOM 955 N THR A 63 64.165 -21.631 5.840 1.00 24.30 N ATOM 956 CA THR A 63 64.854 -22.830 6.316 1.00 13.21 C ATOM 957 C THR A 63 66.238 -22.991 5.657 1.00 64.20 C ATOM 958 O THR A 63 67.190 -23.485 6.272 1.00 74.44 O ATOM 959 CB THR A 63 63.964 -24.118 6.127 1.00 32.20 C ATOM 960 OG1 THR A 63 64.525 -25.239 6.831 1.00 73.21 O ATOM 961 CG2 THR A 63 63.806 -24.488 4.651 1.00 71.34 C ATOM 0 H THR A 63 63.333 -21.825 5.283 1.00 24.30 H new ATOM 0 HA THR A 63 65.023 -22.706 7.386 1.00 13.21 H new ATOM 0 HB THR A 63 62.982 -23.882 6.537 1.00 32.20 H new ATOM 0 HG1 THR A 63 63.955 -26.026 6.700 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.186 -25.380 4.564 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.332 -23.664 4.118 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.787 -24.684 4.218 1.00 71.34 H new ATOM 969 N LYS A 64 66.357 -22.537 4.425 1.00 74.50 N ATOM 970 CA LYS A 64 67.619 -22.598 3.711 1.00 35.22 C ATOM 971 C LYS A 64 68.426 -21.368 4.023 1.00 24.12 C ATOM 972 O LYS A 64 69.657 -21.357 3.887 1.00 50.03 O ATOM 973 CB LYS A 64 67.376 -22.648 2.216 1.00 41.22 C ATOM 974 CG LYS A 64 66.710 -23.902 1.700 1.00 22.42 C ATOM 975 CD LYS A 64 67.605 -25.125 1.855 1.00 13.51 C ATOM 976 CE LYS A 64 67.022 -26.342 1.150 1.00 12.10 C ATOM 977 NZ LYS A 64 66.976 -26.176 -0.324 1.00 42.24 N ATOM 0 H LYS A 64 65.592 -22.120 3.895 1.00 74.50 H new ATOM 0 HA LYS A 64 68.154 -23.495 4.022 1.00 35.22 H new ATOM 0 HB2 LYS A 64 66.761 -21.792 1.938 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.333 -22.532 1.707 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.776 -24.065 2.238 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.453 -23.771 0.649 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.593 -24.907 1.448 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.738 -25.347 2.914 1.00 13.51 H new ATOM 0 HE2 LYS A 64 67.619 -27.221 1.395 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.015 -26.527 1.523 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 67.224 -27.076 -0.783 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 66.017 -25.893 -0.612 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.654 -25.442 -0.612 1.00 42.24 H new ATOM 991 N ARG A 65 67.713 -20.343 4.461 1.00 62.41 N ATOM 992 CA ARG A 65 68.272 -19.027 4.739 1.00 10.24 C ATOM 993 C ARG A 65 68.783 -18.410 3.461 1.00 55.32 C ATOM 994 O ARG A 65 69.978 -18.170 3.285 1.00 33.21 O ATOM 995 CB ARG A 65 69.361 -19.002 5.840 1.00 10.13 C ATOM 996 CG ARG A 65 68.883 -19.259 7.265 1.00 12.01 C ATOM 997 CD ARG A 65 68.532 -20.710 7.514 1.00 0.21 C ATOM 998 NE ARG A 65 67.995 -20.908 8.854 1.00 35.32 N ATOM 999 CZ ARG A 65 68.009 -22.054 9.526 1.00 62.31 C ATOM 1000 NH1 ARG A 65 68.474 -23.170 8.957 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.525 -22.094 10.751 1.00 23.34 N ATOM 0 H ARG A 65 66.710 -20.402 4.637 1.00 62.41 H new ATOM 0 HA ARG A 65 67.454 -18.433 5.146 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.116 -19.748 5.592 1.00 10.13 H new ATOM 0 HB3 ARG A 65 69.853 -18.030 5.814 1.00 10.13 H new ATOM 0 HG2 ARG A 65 69.661 -18.953 7.965 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.010 -18.639 7.468 1.00 12.01 H new ATOM 0 HD2 ARG A 65 67.801 -21.040 6.776 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.420 -21.328 7.382 1.00 0.21 H new ATOM 0 HE ARG A 65 67.574 -20.101 9.314 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.822 -23.147 7.999 1.00 53.35 H new ATOM 0 HH12 ARG A 65 68.481 -24.045 9.481 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.143 -21.249 11.176 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.532 -22.970 11.274 1.00 23.34 H new ATOM 1015 N LEU A 66 67.865 -18.199 2.549 1.00 53.51 N ATOM 1016 CA LEU A 66 68.181 -17.630 1.252 1.00 71.15 C ATOM 1017 C LEU A 66 67.962 -16.129 1.273 1.00 32.04 C ATOM 1018 O LEU A 66 67.951 -15.464 0.234 1.00 73.22 O ATOM 1019 CB LEU A 66 67.327 -18.284 0.154 1.00 33.23 C ATOM 1020 CG LEU A 66 67.504 -19.790 -0.036 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.500 -20.318 -1.045 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.924 -20.116 -0.484 1.00 42.44 C ATOM 0 H LEU A 66 66.877 -18.415 2.680 1.00 53.51 H new ATOM 0 HA LEU A 66 69.230 -17.826 1.031 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.278 -18.088 0.375 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.551 -17.791 -0.792 1.00 33.23 H new ATOM 0 HG LEU A 66 67.326 -20.277 0.923 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.639 -21.392 -1.169 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.489 -20.122 -0.689 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.650 -19.820 -2.003 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.027 -21.193 -0.613 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.131 -19.616 -1.430 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.632 -19.772 0.270 1.00 42.44 H new ATOM 1034 N TYR A 67 67.794 -15.602 2.454 1.00 50.33 N ATOM 1035 CA TYR A 67 67.581 -14.199 2.644 1.00 63.44 C ATOM 1036 C TYR A 67 68.784 -13.594 3.337 1.00 41.21 C ATOM 1037 O TYR A 67 69.626 -14.325 3.889 1.00 0.14 O ATOM 1038 CB TYR A 67 66.285 -13.929 3.442 1.00 32.51 C ATOM 1039 CG TYR A 67 66.274 -14.491 4.852 1.00 55.05 C ATOM 1040 CD1 TYR A 67 65.907 -15.809 5.091 1.00 64.31 C ATOM 1041 CD2 TYR A 67 66.633 -13.702 5.942 1.00 24.21 C ATOM 1042 CE1 TYR A 67 65.904 -16.322 6.373 1.00 44.51 C ATOM 1043 CE2 TYR A 67 66.629 -14.215 7.220 1.00 3.00 C ATOM 1044 CZ TYR A 67 66.267 -15.524 7.428 1.00 62.24 C ATOM 1045 OH TYR A 67 66.265 -16.042 8.697 1.00 52.04 O ATOM 0 H TYR A 67 67.802 -16.142 3.319 1.00 50.33 H new ATOM 0 HA TYR A 67 67.460 -13.728 1.668 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.126 -12.852 3.495 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.443 -14.349 2.892 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.620 -16.441 4.263 1.00 64.31 H new ATOM 0 HD2 TYR A 67 66.919 -12.673 5.783 1.00 24.21 H new ATOM 0 HE1 TYR A 67 65.617 -17.349 6.545 1.00 44.51 H new ATOM 0 HE2 TYR A 67 66.909 -13.591 8.056 1.00 3.00 H new ATOM 0 HH TYR A 67 66.547 -15.351 9.333 1.00 52.04 H new ATOM 1055 N ASP A 68 68.859 -12.290 3.305 1.00 63.44 N ATOM 1056 CA ASP A 68 69.935 -11.521 3.911 1.00 21.32 C ATOM 1057 C ASP A 68 69.968 -11.788 5.406 1.00 52.35 C ATOM 1058 O ASP A 68 68.939 -11.741 6.071 1.00 13.34 O ATOM 1059 CB ASP A 68 69.685 -10.038 3.666 1.00 1.00 C ATOM 1060 CG ASP A 68 70.796 -9.134 4.077 1.00 51.10 C ATOM 1061 OD1 ASP A 68 71.214 -9.172 5.223 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.238 -8.308 3.240 1.00 24.12 O ATOM 0 H ASP A 68 68.158 -11.709 2.846 1.00 63.44 H new ATOM 0 HA ASP A 68 70.889 -11.812 3.471 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.490 -9.889 2.604 1.00 1.00 H new ATOM 0 HB3 ASP A 68 68.782 -9.744 4.201 1.00 1.00 H new ATOM 1067 N GLU A 69 71.145 -12.069 5.917 1.00 63.22 N ATOM 1068 CA GLU A 69 71.323 -12.392 7.318 1.00 62.14 C ATOM 1069 C GLU A 69 70.951 -11.230 8.251 1.00 64.00 C ATOM 1070 O GLU A 69 70.438 -11.454 9.360 1.00 30.11 O ATOM 1071 CB GLU A 69 72.750 -12.887 7.593 1.00 42.41 C ATOM 1072 CG GLU A 69 73.853 -11.941 7.138 1.00 61.33 C ATOM 1073 CD GLU A 69 75.220 -12.445 7.506 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.774 -13.309 6.779 1.00 52.31 O ATOM 1075 OE2 GLU A 69 75.759 -12.017 8.549 1.00 24.54 O ATOM 0 H GLU A 69 72.008 -12.081 5.374 1.00 63.22 H new ATOM 0 HA GLU A 69 70.628 -13.201 7.540 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.859 -13.061 8.663 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.888 -13.848 7.098 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.794 -11.810 6.057 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.696 -10.960 7.587 1.00 61.33 H new ATOM 1082 N LYS A 70 71.173 -10.008 7.810 1.00 21.31 N ATOM 1083 CA LYS A 70 70.877 -8.866 8.627 1.00 43.13 C ATOM 1084 C LYS A 70 69.666 -8.080 8.176 1.00 3.23 C ATOM 1085 O LYS A 70 69.004 -7.454 8.990 1.00 14.52 O ATOM 1086 CB LYS A 70 72.112 -8.008 8.893 1.00 51.11 C ATOM 1087 CG LYS A 70 72.984 -7.764 7.693 1.00 5.05 C ATOM 1088 CD LYS A 70 72.330 -6.887 6.686 1.00 31.00 C ATOM 1089 CE LYS A 70 73.227 -6.718 5.474 1.00 65.43 C ATOM 1090 NZ LYS A 70 72.502 -6.208 4.293 1.00 33.03 N ATOM 0 H LYS A 70 71.557 -9.788 6.891 1.00 21.31 H new ATOM 0 HA LYS A 70 70.577 -9.265 9.596 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.789 -7.046 9.291 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.710 -8.489 9.667 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.920 -7.308 8.014 1.00 5.05 H new ATOM 0 HG3 LYS A 70 73.236 -8.718 7.231 1.00 5.05 H new ATOM 0 HD2 LYS A 70 71.376 -7.318 6.383 1.00 31.00 H new ATOM 0 HD3 LYS A 70 72.115 -5.913 7.126 1.00 31.00 H new ATOM 0 HE2 LYS A 70 74.038 -6.033 5.721 1.00 65.43 H new ATOM 0 HE3 LYS A 70 73.683 -7.677 5.229 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 73.184 -5.952 3.551 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 71.861 -6.944 3.935 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 71.950 -5.368 4.561 1.00 33.03 H new ATOM 1104 N GLN A 71 69.371 -8.099 6.909 1.00 50.03 N ATOM 1105 CA GLN A 71 68.179 -7.432 6.441 1.00 5.34 C ATOM 1106 C GLN A 71 67.180 -8.433 5.972 1.00 62.15 C ATOM 1107 O GLN A 71 67.158 -8.813 4.822 1.00 64.52 O ATOM 1108 CB GLN A 71 68.452 -6.352 5.393 1.00 3.32 C ATOM 1109 CG GLN A 71 69.122 -5.103 5.954 1.00 21.51 C ATOM 1110 CD GLN A 71 68.317 -4.461 7.081 1.00 43.20 C ATOM 1111 OE1 GLN A 71 67.093 -4.561 7.130 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.980 -3.778 7.961 1.00 3.50 N ATOM 0 H GLN A 71 69.925 -8.559 6.187 1.00 50.03 H new ATOM 0 HA GLN A 71 67.759 -6.894 7.291 1.00 5.34 H new ATOM 0 HB2 GLN A 71 69.084 -6.771 4.610 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.510 -6.068 4.924 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.114 -5.362 6.323 1.00 21.51 H new ATOM 0 HG3 GLN A 71 69.260 -4.378 5.152 1.00 21.51 H new ATOM 0 HE21 GLN A 71 69.996 -3.712 7.896 1.00 3.50 H new ATOM 0 HE22 GLN A 71 68.486 -3.307 8.719 1.00 3.50 H new ATOM 1121 N GLN A 72 66.350 -8.852 6.886 1.00 33.03 N ATOM 1122 CA GLN A 72 65.389 -9.918 6.659 1.00 64.41 C ATOM 1123 C GLN A 72 64.350 -9.567 5.579 1.00 73.12 C ATOM 1124 O GLN A 72 63.755 -10.448 4.974 1.00 1.14 O ATOM 1125 CB GLN A 72 64.753 -10.310 7.991 1.00 2.34 C ATOM 1126 CG GLN A 72 65.805 -10.765 9.007 1.00 64.34 C ATOM 1127 CD GLN A 72 65.259 -11.033 10.389 1.00 20.23 C ATOM 1128 OE1 GLN A 72 65.196 -10.137 11.234 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.894 -12.255 10.650 1.00 52.04 N ATOM 0 H GLN A 72 66.314 -8.462 7.828 1.00 33.03 H new ATOM 0 HA GLN A 72 65.917 -10.783 6.258 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.200 -9.462 8.394 1.00 2.34 H new ATOM 0 HB3 GLN A 72 64.033 -11.112 7.829 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.283 -11.671 8.636 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.580 -10.001 9.077 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.959 -12.972 9.928 1.00 52.04 H new ATOM 0 HE22 GLN A 72 64.543 -12.495 11.577 1.00 52.04 H new ATOM 1138 N HIS A 73 64.131 -8.267 5.346 1.00 20.12 N ATOM 1139 CA HIS A 73 63.245 -7.812 4.268 1.00 23.35 C ATOM 1140 C HIS A 73 63.889 -8.021 2.878 1.00 72.14 C ATOM 1141 O HIS A 73 63.241 -7.833 1.844 1.00 10.11 O ATOM 1142 CB HIS A 73 62.833 -6.315 4.461 1.00 41.31 C ATOM 1143 CG HIS A 73 63.903 -5.271 4.189 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.824 -4.853 5.123 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.158 -4.542 3.072 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.592 -3.921 4.602 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.216 -3.710 3.357 1.00 73.14 N ATOM 0 H HIS A 73 64.554 -7.514 5.888 1.00 20.12 H new ATOM 0 HA HIS A 73 62.343 -8.422 4.317 1.00 23.35 H new ATOM 0 HB2 HIS A 73 61.984 -6.109 3.809 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.486 -6.187 5.486 1.00 41.31 H new ATOM 0 HD2 HIS A 73 63.628 -4.604 2.133 1.00 65.33 H new ATOM 0 HE1 HIS A 73 66.398 -3.413 5.111 1.00 3.33 H new ATOM 0 HE2 HIS A 73 65.638 -3.042 2.712 1.00 73.14 H new ATOM 1155 N ILE A 74 65.148 -8.399 2.883 1.00 50.14 N ATOM 1156 CA ILE A 74 65.924 -8.608 1.680 1.00 22.31 C ATOM 1157 C ILE A 74 66.162 -10.084 1.477 1.00 55.40 C ATOM 1158 O ILE A 74 66.796 -10.746 2.296 1.00 73.00 O ATOM 1159 CB ILE A 74 67.297 -7.863 1.739 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.097 -6.347 1.781 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.215 -8.254 0.577 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.312 -5.810 0.606 1.00 73.44 C ATOM 0 H ILE A 74 65.672 -8.573 3.741 1.00 50.14 H new ATOM 0 HA ILE A 74 65.355 -8.201 0.844 1.00 22.31 H new ATOM 0 HB ILE A 74 67.788 -8.174 2.661 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.581 -6.082 2.704 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.072 -5.860 1.809 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.157 -7.712 0.659 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.409 -9.326 0.611 1.00 3.51 H new ATOM 0 HG23 ILE A 74 67.733 -8.003 -0.368 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.208 -4.729 0.701 1.00 73.44 H new ATOM 0 HD12 ILE A 74 66.837 -6.044 -0.320 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.324 -6.269 0.589 1.00 73.44 H new ATOM 1174 N VAL A 75 65.652 -10.607 0.417 1.00 45.43 N ATOM 1175 CA VAL A 75 65.851 -11.981 0.130 1.00 24.42 C ATOM 1176 C VAL A 75 66.734 -12.092 -1.093 1.00 52.54 C ATOM 1177 O VAL A 75 66.506 -11.402 -2.067 1.00 42.31 O ATOM 1178 CB VAL A 75 64.523 -12.719 -0.117 1.00 63.14 C ATOM 1179 CG1 VAL A 75 64.776 -14.181 -0.150 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.493 -12.378 0.944 1.00 11.12 C ATOM 0 H VAL A 75 65.091 -10.100 -0.268 1.00 45.43 H new ATOM 0 HA VAL A 75 66.323 -12.450 0.993 1.00 24.42 H new ATOM 0 HB VAL A 75 64.117 -12.397 -1.076 1.00 63.14 H new ATOM 0 HG11 VAL A 75 63.838 -14.709 -0.325 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.477 -14.411 -0.953 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.199 -14.499 0.803 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.568 -12.916 0.739 1.00 11.12 H new ATOM 0 HG22 VAL A 75 63.871 -12.667 1.925 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.299 -11.305 0.932 1.00 11.12 H new ATOM 1190 N TYR A 76 67.743 -12.934 -1.046 1.00 5.33 N ATOM 1191 CA TYR A 76 68.647 -13.058 -2.171 1.00 2.23 C ATOM 1192 C TYR A 76 68.173 -14.152 -3.111 1.00 20.23 C ATOM 1193 O TYR A 76 67.734 -13.876 -4.224 1.00 22.13 O ATOM 1194 CB TYR A 76 70.072 -13.387 -1.717 1.00 71.42 C ATOM 1195 CG TYR A 76 70.741 -12.378 -0.808 1.00 63.21 C ATOM 1196 CD1 TYR A 76 70.753 -11.020 -1.110 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.399 -12.798 0.338 1.00 34.51 C ATOM 1198 CE1 TYR A 76 71.400 -10.117 -0.291 1.00 3.12 C ATOM 1199 CE2 TYR A 76 72.057 -11.904 1.146 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.057 -10.572 0.831 1.00 44.23 C ATOM 1201 OH TYR A 76 72.729 -9.692 1.643 1.00 11.02 O ATOM 0 H TYR A 76 67.958 -13.537 -0.252 1.00 5.33 H new ATOM 0 HA TYR A 76 68.653 -12.097 -2.685 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.053 -14.349 -1.204 1.00 71.42 H new ATOM 0 HB3 TYR A 76 70.693 -13.511 -2.604 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.249 -10.667 -1.998 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.394 -13.846 0.599 1.00 34.51 H new ATOM 0 HE1 TYR A 76 71.391 -9.063 -0.528 1.00 3.12 H new ATOM 0 HE2 TYR A 76 72.574 -12.251 2.029 1.00 53.13 H new ATOM 0 HH TYR A 76 72.116 -8.988 1.940 1.00 11.02 H new ATOM 1211 N CYS A 77 68.261 -15.402 -2.633 1.00 54.53 N ATOM 1212 CA CYS A 77 67.877 -16.599 -3.391 1.00 52.14 C ATOM 1213 C CYS A 77 68.612 -16.700 -4.726 1.00 4.33 C ATOM 1214 O CYS A 77 68.138 -17.339 -5.665 1.00 62.20 O ATOM 1215 CB CYS A 77 66.378 -16.637 -3.584 1.00 61.41 C ATOM 1216 SG CYS A 77 65.485 -16.708 -2.041 1.00 54.33 S ATOM 0 H CYS A 77 68.606 -15.611 -1.696 1.00 54.53 H new ATOM 0 HA CYS A 77 68.176 -17.470 -2.807 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.065 -15.753 -4.139 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.116 -17.504 -4.191 1.00 61.41 H new ATOM 0 HG CYS A 77 64.454 -15.918 -2.100 1.00 54.33 H new ATOM 1222 N SER A 78 69.800 -16.142 -4.755 1.00 74.53 N ATOM 1223 CA SER A 78 70.642 -16.119 -5.921 1.00 1.24 C ATOM 1224 C SER A 78 71.365 -17.453 -6.027 1.00 20.30 C ATOM 1225 O SER A 78 71.830 -17.852 -7.096 1.00 21.43 O ATOM 1226 CB SER A 78 71.669 -15.019 -5.732 1.00 41.00 C ATOM 1227 OG SER A 78 71.063 -13.863 -5.198 1.00 62.31 O ATOM 0 H SER A 78 70.215 -15.681 -3.946 1.00 74.53 H new ATOM 0 HA SER A 78 70.052 -15.945 -6.821 1.00 1.24 H new ATOM 0 HB2 SER A 78 72.460 -15.363 -5.066 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.137 -14.783 -6.687 1.00 41.00 H new ATOM 0 HG SER A 78 70.679 -13.330 -5.925 1.00 62.31 H new ATOM 1233 N ASN A 79 71.458 -18.132 -4.892 1.00 41.54 N ATOM 1234 CA ASN A 79 72.124 -19.420 -4.797 1.00 73.42 C ATOM 1235 C ASN A 79 71.158 -20.513 -5.223 1.00 0.00 C ATOM 1236 O ASN A 79 71.559 -21.620 -5.599 1.00 53.23 O ATOM 1237 CB ASN A 79 72.596 -19.656 -3.347 1.00 72.51 C ATOM 1238 CG ASN A 79 73.554 -20.825 -3.203 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.762 -20.656 -3.344 1.00 34.51 O ATOM 1240 ND2 ASN A 79 73.055 -21.993 -2.889 1.00 12.14 N ATOM 0 H ASN A 79 71.071 -17.802 -4.008 1.00 41.54 H new ATOM 0 HA ASN A 79 72.994 -19.436 -5.453 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.081 -18.752 -2.980 1.00 72.51 H new ATOM 0 HB3 ASN A 79 71.726 -19.830 -2.714 1.00 72.51 H new ATOM 0 HD21 ASN A 79 73.674 -22.793 -2.755 1.00 12.14 H new ATOM 0 HD22 ASN A 79 72.047 -22.104 -2.778 1.00 12.14 H new ATOM 1247 N ASP A 80 69.883 -20.185 -5.192 1.00 63.10 N ATOM 1248 CA ASP A 80 68.845 -21.117 -5.576 1.00 44.31 C ATOM 1249 C ASP A 80 68.299 -20.641 -6.913 1.00 54.24 C ATOM 1250 O ASP A 80 68.889 -19.758 -7.548 1.00 62.42 O ATOM 1251 CB ASP A 80 67.726 -21.166 -4.513 1.00 54.35 C ATOM 1252 CG ASP A 80 66.888 -22.457 -4.570 1.00 4.01 C ATOM 1253 OD1 ASP A 80 65.969 -22.583 -5.428 1.00 31.11 O ATOM 1254 OD2 ASP A 80 67.141 -23.367 -3.749 1.00 51.55 O ATOM 0 H ASP A 80 69.539 -19.270 -4.901 1.00 63.10 H new ATOM 0 HA ASP A 80 69.245 -22.128 -5.657 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.171 -21.073 -3.522 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.068 -20.308 -4.648 1.00 54.35 H new ATOM 1259 N LEU A 81 67.225 -21.198 -7.354 1.00 71.31 N ATOM 1260 CA LEU A 81 66.660 -20.819 -8.615 1.00 11.32 C ATOM 1261 C LEU A 81 65.614 -19.712 -8.395 1.00 12.11 C ATOM 1262 O LEU A 81 65.418 -18.879 -9.248 1.00 75.03 O ATOM 1263 CB LEU A 81 66.073 -22.082 -9.300 1.00 25.11 C ATOM 1264 CG LEU A 81 65.840 -22.058 -10.833 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.716 -21.146 -11.234 1.00 43.44 C ATOM 1266 CD2 LEU A 81 67.111 -21.659 -11.557 1.00 21.25 C ATOM 0 H LEU A 81 66.711 -21.926 -6.858 1.00 71.31 H new ATOM 0 HA LEU A 81 67.419 -20.408 -9.281 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.739 -22.917 -9.080 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.117 -22.302 -8.824 1.00 25.11 H new ATOM 0 HG LEU A 81 65.556 -23.070 -11.122 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.598 -21.169 -12.317 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.792 -21.478 -10.761 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.942 -20.128 -10.915 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.929 -21.647 -12.632 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.419 -20.666 -11.230 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.900 -22.377 -11.330 1.00 21.25 H new ATOM 1278 N LEU A 82 65.021 -19.692 -7.202 1.00 22.23 N ATOM 1279 CA LEU A 82 63.927 -18.769 -6.826 1.00 31.14 C ATOM 1280 C LEU A 82 64.158 -17.284 -7.229 1.00 51.53 C ATOM 1281 O LEU A 82 63.389 -16.719 -8.033 1.00 75.13 O ATOM 1282 CB LEU A 82 63.667 -18.889 -5.314 1.00 51.31 C ATOM 1283 CG LEU A 82 62.715 -17.863 -4.705 1.00 44.45 C ATOM 1284 CD1 LEU A 82 61.323 -17.954 -5.311 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.669 -17.997 -3.194 1.00 64.25 C ATOM 0 H LEU A 82 65.286 -20.326 -6.448 1.00 22.23 H new ATOM 0 HA LEU A 82 63.052 -19.077 -7.398 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.270 -19.884 -5.114 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.623 -18.817 -4.796 1.00 51.31 H new ATOM 0 HG LEU A 82 63.103 -16.873 -4.944 1.00 44.45 H new ATOM 0 HD11 LEU A 82 60.676 -17.207 -4.850 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.381 -17.772 -6.384 1.00 51.52 H new ATOM 0 HD13 LEU A 82 60.913 -18.948 -5.133 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.984 -17.255 -2.784 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.324 -18.996 -2.928 1.00 64.25 H new ATOM 0 HD23 LEU A 82 63.666 -17.836 -2.784 1.00 64.25 H new ATOM 1297 N GLY A 83 65.207 -16.674 -6.694 1.00 33.33 N ATOM 1298 CA GLY A 83 65.467 -15.268 -6.966 1.00 13.41 C ATOM 1299 C GLY A 83 65.828 -15.069 -8.403 1.00 23.02 C ATOM 1300 O GLY A 83 65.302 -14.148 -9.086 1.00 63.21 O ATOM 0 H GLY A 83 65.883 -17.124 -6.077 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.585 -14.675 -6.721 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.277 -14.912 -6.329 1.00 13.41 H new ATOM 1304 N ASP A 84 66.661 -15.988 -8.891 1.00 74.23 N ATOM 1305 CA ASP A 84 67.134 -15.973 -10.270 1.00 72.30 C ATOM 1306 C ASP A 84 65.955 -15.880 -11.193 1.00 60.45 C ATOM 1307 O ASP A 84 65.874 -14.949 -11.967 1.00 21.25 O ATOM 1308 CB ASP A 84 67.935 -17.247 -10.594 1.00 32.43 C ATOM 1309 CG ASP A 84 68.390 -17.324 -12.053 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.587 -17.706 -12.936 1.00 12.11 O ATOM 1311 OD2 ASP A 84 69.576 -17.055 -12.338 1.00 34.12 O ATOM 0 H ASP A 84 67.026 -16.764 -8.338 1.00 74.23 H new ATOM 0 HA ASP A 84 67.789 -15.112 -10.403 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.810 -17.292 -9.945 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.323 -18.120 -10.365 1.00 32.43 H new ATOM 1316 N LEU A 85 64.992 -16.793 -10.965 1.00 51.32 N ATOM 1317 CA LEU A 85 63.767 -17.006 -11.711 1.00 55.15 C ATOM 1318 C LEU A 85 62.978 -15.752 -11.914 1.00 45.10 C ATOM 1319 O LEU A 85 62.502 -15.492 -13.015 1.00 62.02 O ATOM 1320 CB LEU A 85 62.954 -17.975 -10.907 1.00 35.13 C ATOM 1321 CG LEU A 85 61.704 -18.528 -11.509 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.962 -19.144 -12.885 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.120 -19.548 -10.555 1.00 34.22 C ATOM 0 H LEU A 85 65.071 -17.448 -10.187 1.00 51.32 H new ATOM 0 HA LEU A 85 64.012 -17.375 -12.707 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.599 -18.816 -10.651 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.683 -17.485 -9.972 1.00 35.13 H new ATOM 0 HG LEU A 85 60.992 -17.717 -11.662 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.028 -19.535 -13.289 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.357 -18.382 -13.557 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.684 -19.955 -12.791 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.206 -19.962 -10.980 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.841 -20.350 -10.394 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.893 -19.068 -9.603 1.00 34.22 H new ATOM 1335 N PHE A 86 62.835 -14.966 -10.859 1.00 13.22 N ATOM 1336 CA PHE A 86 62.106 -13.699 -10.942 1.00 14.21 C ATOM 1337 C PHE A 86 62.860 -12.742 -11.837 1.00 25.43 C ATOM 1338 O PHE A 86 62.315 -11.779 -12.383 1.00 74.23 O ATOM 1339 CB PHE A 86 61.978 -13.101 -9.582 1.00 60.11 C ATOM 1340 CG PHE A 86 61.010 -11.948 -9.533 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.721 -12.097 -10.012 1.00 60.04 C ATOM 1342 CD2 PHE A 86 61.392 -10.725 -9.022 1.00 61.20 C ATOM 1343 CE1 PHE A 86 58.834 -11.049 -9.983 1.00 63.23 C ATOM 1344 CE2 PHE A 86 60.508 -9.673 -8.988 1.00 21.42 C ATOM 1345 CZ PHE A 86 59.226 -9.839 -9.471 1.00 2.54 C ATOM 0 H PHE A 86 63.211 -15.177 -9.935 1.00 13.22 H new ATOM 0 HA PHE A 86 61.113 -13.883 -11.353 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.653 -13.871 -8.882 1.00 60.11 H new ATOM 0 HB3 PHE A 86 62.958 -12.760 -9.248 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.408 -13.049 -10.414 1.00 60.04 H new ATOM 0 HD2 PHE A 86 62.395 -10.593 -8.645 1.00 61.20 H new ATOM 0 HE1 PHE A 86 57.831 -11.177 -10.362 1.00 63.23 H new ATOM 0 HE2 PHE A 86 60.816 -8.720 -8.585 1.00 21.42 H new ATOM 0 HZ PHE A 86 58.530 -9.014 -9.446 1.00 2.54 H new ATOM 1355 N GLY A 87 64.087 -13.036 -11.960 1.00 24.41 N ATOM 1356 CA GLY A 87 64.985 -12.303 -12.822 1.00 31.24 C ATOM 1357 C GLY A 87 65.785 -11.351 -12.033 1.00 3.13 C ATOM 1358 O GLY A 87 66.181 -10.289 -12.520 1.00 20.13 O ATOM 0 H GLY A 87 64.531 -13.808 -11.463 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.644 -12.996 -13.346 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.415 -11.768 -13.582 1.00 31.24 H new ATOM 1362 N VAL A 88 66.073 -11.732 -10.812 1.00 0.24 N ATOM 1363 CA VAL A 88 66.727 -10.799 -9.899 1.00 65.43 C ATOM 1364 C VAL A 88 67.801 -11.442 -9.040 1.00 62.04 C ATOM 1365 O VAL A 88 67.834 -12.657 -8.876 1.00 2.43 O ATOM 1366 CB VAL A 88 65.717 -10.068 -8.955 1.00 34.42 C ATOM 1367 CG1 VAL A 88 64.792 -9.130 -9.710 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.932 -11.053 -8.104 1.00 52.45 C ATOM 0 H VAL A 88 65.875 -12.655 -10.426 1.00 0.24 H new ATOM 0 HA VAL A 88 67.198 -10.074 -10.562 1.00 65.43 H new ATOM 0 HB VAL A 88 66.313 -9.450 -8.283 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.111 -8.648 -9.009 1.00 53.13 H new ATOM 0 HG12 VAL A 88 65.383 -8.371 -10.222 1.00 53.13 H new ATOM 0 HG13 VAL A 88 64.217 -9.697 -10.442 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.241 -10.508 -7.461 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.371 -11.727 -8.752 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.621 -11.631 -7.488 1.00 52.45 H new ATOM 1378 N PRO A 89 68.717 -10.621 -8.490 1.00 11.32 N ATOM 1379 CA PRO A 89 69.692 -11.095 -7.542 1.00 74.43 C ATOM 1380 C PRO A 89 69.151 -10.987 -6.108 1.00 61.01 C ATOM 1381 O PRO A 89 69.745 -11.494 -5.167 1.00 1.24 O ATOM 1382 CB PRO A 89 70.888 -10.155 -7.747 1.00 25.13 C ATOM 1383 CG PRO A 89 70.338 -8.901 -8.376 1.00 40.51 C ATOM 1384 CD PRO A 89 68.912 -9.179 -8.800 1.00 22.11 C ATOM 0 HA PRO A 89 69.951 -12.144 -7.689 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.375 -9.932 -6.797 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.639 -10.615 -8.390 1.00 25.13 H new ATOM 0 HG2 PRO A 89 70.371 -8.073 -7.668 1.00 40.51 H new ATOM 0 HG3 PRO A 89 70.941 -8.609 -9.236 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.205 -8.555 -8.254 1.00 22.11 H new ATOM 0 HD3 PRO A 89 68.764 -8.976 -9.861 1.00 22.11 H new ATOM 1392 N SER A 90 68.027 -10.313 -5.960 1.00 72.45 N ATOM 1393 CA SER A 90 67.408 -10.127 -4.672 1.00 0.12 C ATOM 1394 C SER A 90 65.995 -9.598 -4.819 1.00 72.25 C ATOM 1395 O SER A 90 65.719 -8.795 -5.721 1.00 42.34 O ATOM 1396 CB SER A 90 68.258 -9.168 -3.825 1.00 14.22 C ATOM 1397 OG SER A 90 68.578 -7.996 -4.568 1.00 32.43 O ATOM 0 H SER A 90 67.521 -9.881 -6.733 1.00 72.45 H new ATOM 0 HA SER A 90 67.350 -11.093 -4.170 1.00 0.12 H new ATOM 0 HB2 SER A 90 67.716 -8.895 -2.920 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.174 -9.667 -3.509 1.00 14.22 H new ATOM 0 HG SER A 90 69.118 -7.395 -4.014 1.00 32.43 H new ATOM 1403 N PHE A 91 65.121 -10.039 -3.959 1.00 22.52 N ATOM 1404 CA PHE A 91 63.770 -9.576 -3.944 1.00 23.10 C ATOM 1405 C PHE A 91 63.422 -9.088 -2.561 1.00 42.12 C ATOM 1406 O PHE A 91 63.965 -9.574 -1.563 1.00 74.32 O ATOM 1407 CB PHE A 91 62.757 -10.627 -4.475 1.00 64.21 C ATOM 1408 CG PHE A 91 62.646 -11.965 -3.740 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.437 -13.047 -4.096 1.00 4.31 C ATOM 1410 CD2 PHE A 91 61.688 -12.156 -2.743 1.00 11.25 C ATOM 1411 CE1 PHE A 91 63.278 -14.266 -3.487 1.00 61.22 C ATOM 1412 CE2 PHE A 91 61.540 -13.374 -2.130 1.00 2.33 C ATOM 1413 CZ PHE A 91 62.329 -14.429 -2.504 1.00 72.40 C ATOM 0 H PHE A 91 65.332 -10.736 -3.244 1.00 22.52 H new ATOM 0 HA PHE A 91 63.692 -8.741 -4.641 1.00 23.10 H new ATOM 0 HB2 PHE A 91 61.769 -10.166 -4.476 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.011 -10.838 -5.514 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.188 -12.928 -4.863 1.00 4.31 H new ATOM 0 HD2 PHE A 91 61.054 -11.332 -2.450 1.00 11.25 H new ATOM 0 HE1 PHE A 91 63.899 -15.100 -3.780 1.00 61.22 H new ATOM 0 HE2 PHE A 91 60.801 -13.501 -1.352 1.00 2.33 H new ATOM 0 HZ PHE A 91 62.206 -15.390 -2.027 1.00 72.40 H new ATOM 1423 N SER A 92 62.578 -8.111 -2.498 1.00 13.21 N ATOM 1424 CA SER A 92 62.207 -7.533 -1.255 1.00 63.42 C ATOM 1425 C SER A 92 60.818 -7.950 -0.907 1.00 12.35 C ATOM 1426 O SER A 92 59.920 -7.927 -1.755 1.00 65.40 O ATOM 1427 CB SER A 92 62.303 -6.005 -1.308 1.00 64.34 C ATOM 1428 OG SER A 92 61.928 -5.421 -0.062 1.00 72.34 O ATOM 0 H SER A 92 62.127 -7.692 -3.311 1.00 13.21 H new ATOM 0 HA SER A 92 62.896 -7.886 -0.488 1.00 63.42 H new ATOM 0 HB2 SER A 92 63.322 -5.711 -1.559 1.00 64.34 H new ATOM 0 HB3 SER A 92 61.658 -5.625 -2.100 1.00 64.34 H new ATOM 0 HG SER A 92 62.000 -4.446 -0.123 1.00 72.34 H new ATOM 1434 N VAL A 93 60.638 -8.316 0.331 1.00 15.21 N ATOM 1435 CA VAL A 93 59.349 -8.729 0.844 1.00 44.32 C ATOM 1436 C VAL A 93 58.358 -7.554 0.862 1.00 70.53 C ATOM 1437 O VAL A 93 57.148 -7.753 0.949 1.00 62.34 O ATOM 1438 CB VAL A 93 59.482 -9.307 2.267 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.452 -10.475 2.275 1.00 62.31 C ATOM 1440 CG2 VAL A 93 59.943 -8.220 3.231 1.00 71.25 C ATOM 0 H VAL A 93 61.386 -8.338 1.025 1.00 15.21 H new ATOM 0 HA VAL A 93 58.968 -9.503 0.178 1.00 44.32 H new ATOM 0 HB VAL A 93 58.507 -9.670 2.592 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.535 -10.872 3.287 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.087 -11.256 1.608 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.431 -10.137 1.936 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.034 -8.638 4.234 1.00 71.25 H new ATOM 0 HG22 VAL A 93 60.910 -7.835 2.909 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.215 -7.409 3.240 1.00 71.25 H new ATOM 1450 N LYS A 94 58.887 -6.329 0.797 1.00 25.30 N ATOM 1451 CA LYS A 94 58.054 -5.143 0.790 1.00 34.12 C ATOM 1452 C LYS A 94 57.473 -4.911 -0.581 1.00 43.13 C ATOM 1453 O LYS A 94 56.543 -4.130 -0.751 1.00 62.22 O ATOM 1454 CB LYS A 94 58.822 -3.908 1.259 1.00 44.32 C ATOM 1455 CG LYS A 94 59.471 -4.061 2.620 1.00 11.41 C ATOM 1456 CD LYS A 94 58.481 -4.585 3.642 1.00 61.24 C ATOM 1457 CE LYS A 94 59.119 -4.745 4.993 1.00 64.21 C ATOM 1458 NZ LYS A 94 59.348 -3.442 5.659 1.00 40.32 N ATOM 0 H LYS A 94 59.889 -6.142 0.749 1.00 25.30 H new ATOM 0 HA LYS A 94 57.239 -5.312 1.494 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.593 -3.673 0.525 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.140 -3.058 1.288 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.318 -4.743 2.547 1.00 11.41 H new ATOM 0 HG3 LYS A 94 59.863 -3.099 2.949 1.00 11.41 H new ATOM 0 HD2 LYS A 94 57.636 -3.901 3.716 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.086 -5.545 3.309 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.482 -5.367 5.623 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.069 -5.268 4.885 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 59.327 -3.571 6.691 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 60.275 -3.066 5.376 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 58.603 -2.773 5.379 1.00 40.32 H new ATOM 1472 N GLU A 95 58.005 -5.589 -1.563 1.00 41.22 N ATOM 1473 CA GLU A 95 57.470 -5.498 -2.871 1.00 25.25 C ATOM 1474 C GLU A 95 56.421 -6.538 -3.059 1.00 44.21 C ATOM 1475 O GLU A 95 56.645 -7.597 -3.636 1.00 11.24 O ATOM 1476 CB GLU A 95 58.496 -5.628 -3.913 1.00 62.12 C ATOM 1477 CG GLU A 95 59.396 -4.431 -4.067 1.00 1.24 C ATOM 1478 CD GLU A 95 58.615 -3.197 -4.454 1.00 20.02 C ATOM 1479 OE1 GLU A 95 57.868 -3.232 -5.451 1.00 35.23 O ATOM 1480 OE2 GLU A 95 58.717 -2.175 -3.761 1.00 30.24 O ATOM 0 H GLU A 95 58.810 -6.208 -1.469 1.00 41.22 H new ATOM 0 HA GLU A 95 57.035 -4.504 -2.973 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.110 -6.501 -3.691 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.003 -5.819 -4.866 1.00 62.12 H new ATOM 0 HG2 GLU A 95 59.925 -4.249 -3.131 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.151 -4.638 -4.825 1.00 1.24 H new ATOM 1487 N HIS A 96 55.306 -6.214 -2.552 1.00 61.03 N ATOM 1488 CA HIS A 96 54.138 -7.087 -2.501 1.00 22.11 C ATOM 1489 C HIS A 96 53.715 -7.537 -3.884 1.00 24.20 C ATOM 1490 O HIS A 96 53.430 -8.702 -4.097 1.00 4.12 O ATOM 1491 CB HIS A 96 52.960 -6.427 -1.753 1.00 0.11 C ATOM 1492 CG HIS A 96 53.228 -6.143 -0.292 1.00 4.44 C ATOM 1493 ND1 HIS A 96 52.403 -5.367 0.488 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.231 -6.550 0.527 1.00 64.43 C ATOM 1495 CE1 HIS A 96 52.877 -5.304 1.712 1.00 53.21 C ATOM 1496 NE2 HIS A 96 53.990 -6.016 1.767 1.00 71.43 N ATOM 0 H HIS A 96 55.140 -5.299 -2.133 1.00 61.03 H new ATOM 0 HA HIS A 96 54.432 -7.973 -1.938 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.707 -5.491 -2.252 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.087 -7.076 -1.830 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.065 -7.179 0.253 1.00 64.43 H new ATOM 0 HE1 HIS A 96 52.433 -4.762 2.534 1.00 53.21 H new ATOM 0 HE2 HIS A 96 54.572 -6.146 2.594 1.00 71.43 H new ATOM 1504 N ARG A 97 53.740 -6.634 -4.838 1.00 61.45 N ATOM 1505 CA ARG A 97 53.341 -6.977 -6.187 1.00 2.00 C ATOM 1506 C ARG A 97 54.399 -7.807 -6.891 1.00 60.51 C ATOM 1507 O ARG A 97 54.087 -8.584 -7.777 1.00 63.44 O ATOM 1508 CB ARG A 97 52.911 -5.745 -6.996 1.00 25.22 C ATOM 1509 CG ARG A 97 51.605 -5.132 -6.496 1.00 31.52 C ATOM 1510 CD ARG A 97 50.444 -6.102 -6.701 1.00 61.22 C ATOM 1511 NE ARG A 97 49.197 -5.656 -6.075 1.00 52.14 N ATOM 1512 CZ ARG A 97 48.044 -6.345 -6.114 1.00 35.43 C ATOM 1513 NH1 ARG A 97 47.945 -7.442 -6.860 1.00 32.04 N ATOM 1514 NH2 ARG A 97 46.998 -5.928 -5.425 1.00 50.15 N ATOM 0 H ARG A 97 54.029 -5.665 -4.709 1.00 61.45 H new ATOM 0 HA ARG A 97 52.455 -7.607 -6.111 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.700 -4.994 -6.951 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.797 -6.026 -8.043 1.00 25.22 H new ATOM 0 HG2 ARG A 97 51.695 -4.882 -5.439 1.00 31.52 H new ATOM 0 HG3 ARG A 97 51.407 -4.201 -7.027 1.00 31.52 H new ATOM 0 HD2 ARG A 97 50.277 -6.237 -7.770 1.00 61.22 H new ATOM 0 HD3 ARG A 97 50.718 -7.076 -6.295 1.00 61.22 H new ATOM 0 HE ARG A 97 49.204 -4.765 -5.578 1.00 52.14 H new ATOM 0 HH11 ARG A 97 48.746 -7.762 -7.405 1.00 32.04 H new ATOM 0 HH12 ARG A 97 47.068 -7.963 -6.887 1.00 32.04 H new ATOM 0 HH21 ARG A 97 47.064 -5.081 -4.861 1.00 50.15 H new ATOM 0 HH22 ARG A 97 46.124 -6.453 -5.457 1.00 50.15 H new ATOM 1528 N LYS A 98 55.637 -7.688 -6.452 1.00 3.30 N ATOM 1529 CA LYS A 98 56.720 -8.507 -6.999 1.00 1.24 C ATOM 1530 C LYS A 98 56.603 -9.911 -6.495 1.00 33.20 C ATOM 1531 O LYS A 98 56.862 -10.849 -7.225 1.00 63.32 O ATOM 1532 CB LYS A 98 58.114 -7.947 -6.686 1.00 62.12 C ATOM 1533 CG LYS A 98 58.588 -6.801 -7.585 1.00 4.31 C ATOM 1534 CD LYS A 98 57.657 -5.617 -7.570 1.00 4.22 C ATOM 1535 CE LYS A 98 58.240 -4.462 -8.357 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.478 -3.223 -8.135 1.00 63.10 N ATOM 0 H LYS A 98 55.925 -7.037 -5.721 1.00 3.30 H new ATOM 0 HA LYS A 98 56.613 -8.491 -8.084 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.122 -7.601 -5.653 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.836 -8.761 -6.755 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.579 -6.481 -7.264 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.687 -7.166 -8.607 1.00 4.31 H new ATOM 0 HD2 LYS A 98 56.694 -5.901 -7.993 1.00 4.22 H new ATOM 0 HD3 LYS A 98 57.474 -5.306 -6.541 1.00 4.22 H new ATOM 0 HE2 LYS A 98 59.279 -4.309 -8.066 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.239 -4.706 -9.419 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 57.986 -2.422 -8.562 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 56.539 -3.310 -8.573 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 57.370 -3.060 -7.114 1.00 63.10 H new ATOM 1550 N ILE A 99 56.180 -10.053 -5.249 1.00 54.20 N ATOM 1551 CA ILE A 99 55.977 -11.370 -4.667 1.00 3.41 C ATOM 1552 C ILE A 99 54.861 -12.055 -5.441 1.00 32.52 C ATOM 1553 O ILE A 99 54.993 -13.192 -5.876 1.00 34.24 O ATOM 1554 CB ILE A 99 55.561 -11.304 -3.168 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.467 -10.354 -2.364 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.572 -12.699 -2.545 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.949 -10.654 -2.426 1.00 13.25 C ATOM 0 H ILE A 99 55.971 -9.275 -4.623 1.00 54.20 H new ATOM 0 HA ILE A 99 56.919 -11.915 -4.726 1.00 3.41 H new ATOM 0 HB ILE A 99 54.547 -10.906 -3.130 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.305 -9.337 -2.722 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.153 -10.378 -1.320 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.279 -12.632 -1.497 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.871 -13.341 -3.078 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.575 -13.121 -2.615 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.493 -9.925 -1.826 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.134 -11.655 -2.037 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.289 -10.598 -3.460 1.00 13.25 H new ATOM 1569 N TYR A 100 53.784 -11.313 -5.650 1.00 43.11 N ATOM 1570 CA TYR A 100 52.620 -11.802 -6.385 1.00 15.13 C ATOM 1571 C TYR A 100 52.990 -12.213 -7.792 1.00 34.44 C ATOM 1572 O TYR A 100 52.725 -13.341 -8.201 1.00 3.54 O ATOM 1573 CB TYR A 100 51.517 -10.749 -6.460 1.00 21.14 C ATOM 1574 CG TYR A 100 50.894 -10.345 -5.145 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.293 -10.900 -3.934 1.00 74.45 C ATOM 1576 CD2 TYR A 100 49.903 -9.397 -5.125 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.715 -10.510 -2.752 1.00 71.11 C ATOM 1578 CE2 TYR A 100 49.318 -8.999 -3.953 1.00 62.13 C ATOM 1579 CZ TYR A 100 49.722 -9.555 -2.773 1.00 51.34 C ATOM 1580 OH TYR A 100 49.139 -9.146 -1.610 1.00 40.22 O ATOM 0 H TYR A 100 53.689 -10.354 -5.316 1.00 43.11 H new ATOM 0 HA TYR A 100 52.252 -12.669 -5.836 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.926 -9.857 -6.934 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.728 -11.124 -7.112 1.00 21.14 H new ATOM 0 HD1 TYR A 100 52.070 -11.650 -3.924 1.00 74.45 H new ATOM 0 HD2 TYR A 100 49.577 -8.955 -6.055 1.00 64.34 H new ATOM 0 HE1 TYR A 100 51.034 -10.946 -1.817 1.00 71.11 H new ATOM 0 HE2 TYR A 100 48.541 -8.249 -3.962 1.00 62.13 H new ATOM 0 HH TYR A 100 49.785 -9.219 -0.877 1.00 40.22 H new ATOM 1590 N THR A 101 53.651 -11.324 -8.506 1.00 71.31 N ATOM 1591 CA THR A 101 53.996 -11.575 -9.898 1.00 4.12 C ATOM 1592 C THR A 101 55.020 -12.697 -10.053 1.00 22.22 C ATOM 1593 O THR A 101 55.037 -13.391 -11.051 1.00 14.53 O ATOM 1594 CB THR A 101 54.455 -10.298 -10.635 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.436 -9.595 -9.851 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.270 -9.386 -10.930 1.00 55.24 C ATOM 0 H THR A 101 53.962 -10.420 -8.149 1.00 71.31 H new ATOM 0 HA THR A 101 53.074 -11.909 -10.374 1.00 4.12 H new ATOM 0 HB THR A 101 54.905 -10.595 -11.582 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.984 -9.053 -9.171 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.618 -8.493 -11.449 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.552 -9.914 -11.558 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.791 -9.098 -9.994 1.00 55.24 H new ATOM 1604 N MET A 102 55.835 -12.884 -9.038 1.00 34.35 N ATOM 1605 CA MET A 102 56.852 -13.935 -8.995 1.00 63.42 C ATOM 1606 C MET A 102 56.176 -15.293 -9.013 1.00 13.22 C ATOM 1607 O MET A 102 56.593 -16.219 -9.721 1.00 73.13 O ATOM 1608 CB MET A 102 57.629 -13.770 -7.695 1.00 43.15 C ATOM 1609 CG MET A 102 58.859 -14.630 -7.521 1.00 11.42 C ATOM 1610 SD MET A 102 59.642 -14.329 -5.919 1.00 45.04 S ATOM 1611 CE MET A 102 59.786 -12.526 -5.924 1.00 54.24 C ATOM 0 H MET A 102 55.816 -12.304 -8.199 1.00 34.35 H new ATOM 0 HA MET A 102 57.519 -13.863 -9.854 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.930 -12.726 -7.610 1.00 43.15 H new ATOM 0 HB3 MET A 102 56.951 -13.975 -6.866 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.586 -15.682 -7.604 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.569 -14.421 -8.321 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.269 -12.197 -5.004 1.00 54.24 H new ATOM 0 HE2 MET A 102 60.383 -12.211 -6.780 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.793 -12.082 -5.992 1.00 54.24 H new ATOM 1621 N ILE A 103 55.096 -15.364 -8.284 1.00 3.21 N ATOM 1622 CA ILE A 103 54.331 -16.575 -8.115 1.00 52.20 C ATOM 1623 C ILE A 103 53.413 -16.755 -9.310 1.00 5.52 C ATOM 1624 O ILE A 103 53.288 -17.841 -9.862 1.00 70.30 O ATOM 1625 CB ILE A 103 53.502 -16.480 -6.815 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.455 -16.292 -5.620 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.636 -17.724 -6.634 1.00 5.55 C ATOM 1628 CD1 ILE A 103 53.772 -15.913 -4.323 1.00 2.12 C ATOM 0 H ILE A 103 54.713 -14.565 -7.779 1.00 3.21 H new ATOM 0 HA ILE A 103 55.001 -17.432 -8.046 1.00 52.20 H new ATOM 0 HB ILE A 103 52.833 -15.622 -6.875 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.010 -17.217 -5.466 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.183 -15.521 -5.871 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.061 -17.636 -5.712 1.00 5.55 H new ATOM 0 HG22 ILE A 103 51.955 -17.819 -7.479 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.274 -18.607 -6.581 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.519 -15.802 -3.537 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.240 -14.971 -4.454 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.064 -16.693 -4.043 1.00 2.12 H new ATOM 1640 N TYR A 104 52.820 -15.664 -9.721 1.00 40.11 N ATOM 1641 CA TYR A 104 51.922 -15.616 -10.852 1.00 44.15 C ATOM 1642 C TYR A 104 52.640 -15.973 -12.173 1.00 13.14 C ATOM 1643 O TYR A 104 52.053 -16.561 -13.078 1.00 40.12 O ATOM 1644 CB TYR A 104 51.236 -14.233 -10.870 1.00 10.23 C ATOM 1645 CG TYR A 104 51.019 -13.618 -12.219 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.011 -12.842 -12.779 1.00 23.41 C ATOM 1647 CD2 TYR A 104 49.843 -13.803 -12.922 1.00 54.33 C ATOM 1648 CE1 TYR A 104 51.848 -12.261 -14.010 1.00 54.14 C ATOM 1649 CE2 TYR A 104 49.665 -13.227 -14.159 1.00 5.31 C ATOM 1650 CZ TYR A 104 50.669 -12.456 -14.701 1.00 60.51 C ATOM 1651 OH TYR A 104 50.496 -11.881 -15.942 1.00 1.15 O ATOM 0 H TYR A 104 52.950 -14.759 -9.268 1.00 40.11 H new ATOM 0 HA TYR A 104 51.148 -16.377 -10.751 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.269 -14.324 -10.376 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.835 -13.546 -10.273 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.933 -12.689 -12.238 1.00 23.41 H new ATOM 0 HD2 TYR A 104 49.055 -14.406 -12.496 1.00 54.33 H new ATOM 0 HE1 TYR A 104 52.635 -11.656 -14.435 1.00 54.14 H new ATOM 0 HE2 TYR A 104 48.744 -13.379 -14.701 1.00 5.31 H new ATOM 0 HH TYR A 104 49.612 -12.118 -16.292 1.00 1.15 H new ATOM 1661 N ARG A 105 53.905 -15.632 -12.263 1.00 53.53 N ATOM 1662 CA ARG A 105 54.709 -15.957 -13.424 1.00 5.51 C ATOM 1663 C ARG A 105 55.074 -17.438 -13.399 1.00 13.24 C ATOM 1664 O ARG A 105 55.413 -18.033 -14.414 1.00 2.23 O ATOM 1665 CB ARG A 105 55.967 -15.103 -13.399 1.00 24.32 C ATOM 1666 CG ARG A 105 56.858 -15.216 -14.610 1.00 13.52 C ATOM 1667 CD ARG A 105 58.069 -14.336 -14.437 1.00 62.13 C ATOM 1668 NE ARG A 105 57.704 -12.920 -14.248 1.00 23.52 N ATOM 1669 CZ ARG A 105 58.551 -11.956 -13.892 1.00 63.44 C ATOM 1670 NH1 ARG A 105 59.852 -12.208 -13.832 1.00 4.40 N ATOM 1671 NH2 ARG A 105 58.101 -10.728 -13.659 1.00 43.11 N ATOM 0 H ARG A 105 54.407 -15.122 -11.536 1.00 53.53 H new ATOM 0 HA ARG A 105 54.149 -15.755 -14.337 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.674 -14.060 -13.283 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.548 -15.371 -12.517 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.167 -16.252 -14.750 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.309 -14.923 -15.505 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.646 -14.679 -13.578 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.713 -14.430 -15.311 1.00 62.13 H new ATOM 0 HE ARG A 105 56.730 -12.659 -14.401 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.202 -13.139 -14.058 1.00 4.40 H new ATOM 0 HH12 ARG A 105 60.502 -11.471 -13.560 1.00 4.40 H new ATOM 0 HH21 ARG A 105 57.106 -10.523 -13.753 1.00 43.11 H new ATOM 0 HH22 ARG A 105 58.750 -9.990 -13.386 1.00 43.11 H new ATOM 1685 N ASN A 106 54.963 -18.027 -12.234 1.00 14.40 N ATOM 1686 CA ASN A 106 55.327 -19.411 -12.044 1.00 75.13 C ATOM 1687 C ASN A 106 54.153 -20.333 -11.935 1.00 64.35 C ATOM 1688 O ASN A 106 54.306 -21.516 -11.611 1.00 43.10 O ATOM 1689 CB ASN A 106 56.294 -19.602 -10.903 1.00 32.11 C ATOM 1690 CG ASN A 106 57.708 -19.326 -11.332 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.386 -20.218 -11.816 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.176 -18.115 -11.144 1.00 61.11 N ATOM 0 H ASN A 106 54.619 -17.563 -11.393 1.00 14.40 H new ATOM 0 HA ASN A 106 55.846 -19.694 -12.960 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.025 -18.938 -10.081 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.219 -20.622 -10.527 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.137 -17.893 -11.405 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.579 -17.395 -10.737 1.00 61.11 H new ATOM 1699 N LEU A 107 52.990 -19.814 -12.178 1.00 34.24 N ATOM 1700 CA LEU A 107 51.826 -20.662 -12.280 1.00 22.31 C ATOM 1701 C LEU A 107 51.564 -20.918 -13.746 1.00 22.33 C ATOM 1702 O LEU A 107 52.138 -20.242 -14.605 1.00 3.21 O ATOM 1703 CB LEU A 107 50.580 -20.082 -11.543 1.00 10.31 C ATOM 1704 CG LEU A 107 49.985 -18.764 -12.060 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.086 -18.948 -13.273 1.00 53.04 C ATOM 1706 CD2 LEU A 107 49.274 -18.000 -10.970 1.00 33.10 C ATOM 0 H LEU A 107 52.814 -18.818 -12.310 1.00 34.24 H new ATOM 0 HA LEU A 107 52.024 -21.605 -11.770 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.794 -20.837 -11.571 1.00 10.31 H new ATOM 0 HB3 LEU A 107 50.848 -19.939 -10.496 1.00 10.31 H new ATOM 0 HG LEU A 107 50.836 -18.168 -12.390 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.698 -17.980 -13.589 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.659 -19.392 -14.087 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.255 -19.605 -13.014 1.00 53.04 H new ATOM 0 HD21 LEU A 107 48.869 -17.075 -11.379 1.00 33.10 H new ATOM 0 HD22 LEU A 107 48.461 -18.607 -10.571 1.00 33.10 H new ATOM 0 HD23 LEU A 107 49.978 -17.766 -10.171 1.00 33.10 H new ATOM 1718 N VAL A 108 50.742 -21.867 -14.046 1.00 63.11 N ATOM 1719 CA VAL A 108 50.448 -22.180 -15.431 1.00 1.01 C ATOM 1720 C VAL A 108 49.027 -21.784 -15.802 1.00 71.42 C ATOM 1721 O VAL A 108 48.080 -21.950 -14.990 1.00 31.43 O ATOM 1722 CB VAL A 108 50.746 -23.669 -15.823 1.00 35.03 C ATOM 1723 CG1 VAL A 108 52.221 -24.000 -15.633 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.890 -24.647 -15.043 1.00 72.10 C ATOM 0 H VAL A 108 50.255 -22.447 -13.362 1.00 63.11 H new ATOM 0 HA VAL A 108 51.139 -21.576 -16.020 1.00 1.01 H new ATOM 0 HB VAL A 108 50.493 -23.772 -16.878 1.00 35.03 H new ATOM 0 HG11 VAL A 108 52.400 -25.038 -15.912 1.00 45.42 H new ATOM 0 HG12 VAL A 108 52.825 -23.346 -16.262 1.00 45.42 H new ATOM 0 HG13 VAL A 108 52.495 -23.853 -14.588 1.00 45.42 H new ATOM 0 HG21 VAL A 108 50.131 -25.665 -15.348 1.00 72.10 H new ATOM 0 HG22 VAL A 108 50.085 -24.532 -13.977 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.837 -24.448 -15.242 1.00 72.10 H new ATOM 1734 N VAL A 109 48.883 -21.223 -16.981 1.00 53.02 N ATOM 1735 CA VAL A 109 47.612 -20.810 -17.542 1.00 54.14 C ATOM 1736 C VAL A 109 47.615 -21.045 -19.045 1.00 41.24 C ATOM 1737 O VAL A 109 47.319 -22.181 -19.457 1.00 0.00 O ATOM 1738 CB VAL A 109 47.209 -19.336 -17.208 1.00 42.33 C ATOM 1739 CG1 VAL A 109 46.581 -19.245 -15.828 1.00 54.03 C ATOM 1740 CG2 VAL A 109 48.414 -18.452 -17.252 1.00 33.31 C ATOM 1741 OXT VAL A 109 47.948 -20.130 -19.832 1.00 0.00 O ATOM 0 H VAL A 109 49.673 -21.034 -17.598 1.00 53.02 H new ATOM 0 HA VAL A 109 46.850 -21.427 -17.067 1.00 54.14 H new ATOM 0 HB VAL A 109 46.482 -19.010 -17.952 1.00 42.33 H new ATOM 0 HG11 VAL A 109 46.310 -18.210 -15.619 1.00 54.03 H new ATOM 0 HG12 VAL A 109 45.688 -19.869 -15.793 1.00 54.03 H new ATOM 0 HG13 VAL A 109 47.294 -19.591 -15.080 1.00 54.03 H new ATOM 0 HG21 VAL A 109 48.123 -17.428 -17.018 1.00 33.31 H new ATOM 0 HG22 VAL A 109 49.145 -18.797 -16.521 1.00 33.31 H new ATOM 0 HG23 VAL A 109 48.854 -18.485 -18.249 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 58.241 -3.952 10.995 1.00 70.03 N ATOM 1753 CA ASP B 301 58.134 -2.957 9.909 1.00 40.31 C ATOM 1754 C ASP B 301 59.480 -2.656 9.305 1.00 43.41 C ATOM 1755 O ASP B 301 59.594 -2.242 8.152 1.00 3.22 O ATOM 1756 CB ASP B 301 57.448 -1.673 10.380 1.00 55.03 C ATOM 1757 CG ASP B 301 57.271 -0.661 9.272 1.00 52.13 C ATOM 1758 OD1 ASP B 301 56.352 -0.831 8.427 1.00 11.23 O ATOM 1759 OD2 ASP B 301 58.022 0.336 9.233 1.00 23.31 O ATOM 0 HA ASP B 301 57.508 -3.398 9.133 1.00 40.31 H new ATOM 0 HB2 ASP B 301 56.472 -1.921 10.798 1.00 55.03 H new ATOM 0 HB3 ASP B 301 58.035 -1.227 11.183 1.00 55.03 H new ATOM 1766 N GLY B 302 60.479 -2.901 10.050 1.00 32.14 N ATOM 1767 CA GLY B 302 61.809 -2.682 9.590 1.00 10.15 C ATOM 1768 C GLY B 302 62.677 -3.852 9.906 1.00 44.11 C ATOM 1769 O GLY B 302 62.683 -4.849 9.170 1.00 74.13 O ATOM 0 H GLY B 302 60.411 -3.261 11.002 1.00 32.14 H new ATOM 0 HA2 GLY B 302 61.803 -2.508 8.514 1.00 10.15 H new ATOM 0 HA3 GLY B 302 62.217 -1.785 10.055 1.00 10.15 H new ATOM 1773 N GLY B 303 63.358 -3.774 11.022 1.00 50.33 N ATOM 1774 CA GLY B 303 64.231 -4.842 11.443 1.00 63.40 C ATOM 1775 C GLY B 303 63.471 -5.917 12.189 1.00 53.01 C ATOM 1776 O GLY B 303 63.723 -6.170 13.372 1.00 2.33 O ATOM 0 H GLY B 303 63.324 -2.978 11.659 1.00 50.33 H new ATOM 0 HA2 GLY B 303 64.720 -5.278 10.572 1.00 63.40 H new ATOM 0 HA3 GLY B 303 65.017 -4.440 12.082 1.00 63.40 H new ATOM 1780 N THR B 304 62.522 -6.509 11.523 1.00 72.21 N ATOM 1781 CA THR B 304 61.702 -7.543 12.082 1.00 53.02 C ATOM 1782 C THR B 304 61.982 -8.887 11.411 1.00 61.42 C ATOM 1783 O THR B 304 62.593 -8.923 10.337 1.00 41.25 O ATOM 1784 CB THR B 304 60.213 -7.150 11.994 1.00 73.35 C ATOM 1785 OG1 THR B 304 59.933 -6.526 10.714 1.00 53.13 O ATOM 1786 CG2 THR B 304 59.857 -6.190 13.109 1.00 11.42 C ATOM 0 H THR B 304 62.292 -6.281 10.556 1.00 72.21 H new ATOM 0 HA THR B 304 61.952 -7.658 13.137 1.00 53.02 H new ATOM 0 HB THR B 304 59.613 -8.054 12.093 1.00 73.35 H new ATOM 0 HG1 THR B 304 59.396 -5.719 10.854 1.00 53.13 H new ATOM 0 HG21 THR B 304 58.803 -5.921 13.035 1.00 11.42 H new ATOM 0 HG22 THR B 304 60.043 -6.666 14.072 1.00 11.42 H new ATOM 0 HG23 THR B 304 60.468 -5.291 13.024 1.00 11.42 H new ATOM 1794 N THR B 305 61.548 -9.977 12.039 1.00 33.52 N ATOM 1795 CA THR B 305 61.831 -11.308 11.541 1.00 3.31 C ATOM 1796 C THR B 305 61.126 -11.604 10.223 1.00 54.44 C ATOM 1797 O THR B 305 59.948 -11.216 10.012 1.00 34.54 O ATOM 1798 CB THR B 305 61.544 -12.442 12.590 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.769 -13.732 11.996 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.122 -12.381 13.117 1.00 31.13 C ATOM 0 H THR B 305 60.997 -9.957 12.897 1.00 33.52 H new ATOM 0 HA THR B 305 62.905 -11.311 11.354 1.00 3.31 H new ATOM 0 HB THR B 305 62.226 -12.288 13.426 1.00 43.20 H new ATOM 0 HG1 THR B 305 61.485 -14.433 12.619 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.967 -13.183 13.839 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.954 -11.419 13.601 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.422 -12.498 12.290 1.00 31.13 H new ATOM 1808 N PHE B 306 61.850 -12.314 9.354 1.00 23.43 N ATOM 1809 CA PHE B 306 61.380 -12.728 8.048 1.00 31.21 C ATOM 1810 C PHE B 306 60.114 -13.560 8.184 1.00 61.12 C ATOM 1811 O PHE B 306 59.169 -13.415 7.411 1.00 3.43 O ATOM 1812 CB PHE B 306 62.478 -13.530 7.317 1.00 53.41 C ATOM 1813 CG PHE B 306 62.057 -14.064 5.980 1.00 65.10 C ATOM 1814 CD1 PHE B 306 61.983 -13.232 4.881 1.00 42.23 C ATOM 1815 CD2 PHE B 306 61.717 -15.397 5.834 1.00 73.14 C ATOM 1816 CE1 PHE B 306 61.578 -13.714 3.659 1.00 4.02 C ATOM 1817 CE2 PHE B 306 61.309 -15.889 4.619 1.00 14.34 C ATOM 1818 CZ PHE B 306 61.238 -15.045 3.526 1.00 41.22 C ATOM 0 H PHE B 306 62.802 -12.620 9.553 1.00 23.43 H new ATOM 0 HA PHE B 306 61.149 -11.840 7.459 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.351 -12.892 7.183 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.786 -14.363 7.949 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.247 -12.190 4.982 1.00 42.23 H new ATOM 0 HD2 PHE B 306 61.773 -16.058 6.686 1.00 73.14 H new ATOM 0 HE1 PHE B 306 61.526 -13.054 2.806 1.00 4.02 H new ATOM 0 HE2 PHE B 306 61.045 -16.931 4.517 1.00 14.34 H new ATOM 0 HZ PHE B 306 60.917 -15.427 2.568 1.00 41.22 H new ATOM 1828 N GLU B 307 60.091 -14.368 9.223 1.00 22.24 N ATOM 1829 CA GLU B 307 58.992 -15.274 9.520 1.00 73.43 C ATOM 1830 C GLU B 307 57.678 -14.500 9.670 1.00 33.30 C ATOM 1831 O GLU B 307 56.615 -14.956 9.249 1.00 31.35 O ATOM 1832 CB GLU B 307 59.300 -16.002 10.817 1.00 34.14 C ATOM 1833 CG GLU B 307 60.653 -16.688 10.821 1.00 23.45 C ATOM 1834 CD GLU B 307 60.997 -17.237 12.166 1.00 64.23 C ATOM 1835 OE1 GLU B 307 61.227 -16.442 13.103 1.00 53.15 O ATOM 1836 OE2 GLU B 307 61.005 -18.473 12.335 1.00 13.13 O ATOM 0 H GLU B 307 60.851 -14.417 9.902 1.00 22.24 H new ATOM 0 HA GLU B 307 58.882 -15.985 8.701 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.260 -15.290 11.642 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.524 -16.746 11.000 1.00 34.14 H new ATOM 0 HG2 GLU B 307 60.652 -17.496 10.089 1.00 23.45 H new ATOM 0 HG3 GLU B 307 61.420 -15.978 10.512 1.00 23.45 H new ATOM 1843 N HIS B 308 57.778 -13.303 10.214 1.00 4.31 N ATOM 1844 CA HIS B 308 56.613 -12.494 10.459 1.00 63.23 C ATOM 1845 C HIS B 308 56.275 -11.716 9.207 1.00 43.42 C ATOM 1846 O HIS B 308 55.163 -11.799 8.699 1.00 4.03 O ATOM 1847 CB HIS B 308 56.868 -11.510 11.615 1.00 63.24 C ATOM 1848 CG HIS B 308 55.631 -10.799 12.123 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.985 -11.153 13.285 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.940 -9.745 11.626 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.958 -10.367 13.486 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.902 -9.496 12.491 1.00 65.13 N ATOM 0 H HIS B 308 58.660 -12.873 10.494 1.00 4.31 H new ATOM 0 HA HIS B 308 55.784 -13.147 10.732 1.00 63.23 H new ATOM 0 HB2 HIS B 308 57.325 -12.053 12.443 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.591 -10.763 11.286 1.00 63.24 H new ATOM 0 HD2 HIS B 308 55.163 -9.202 10.719 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.274 -10.420 14.320 1.00 61.43 H new ATOM 0 HE2 HIS B 308 53.203 -8.761 12.384 1.00 65.13 H new ATOM 1860 N LEU B 309 57.256 -11.000 8.693 1.00 64.14 N ATOM 1861 CA LEU B 309 57.045 -10.081 7.581 1.00 52.01 C ATOM 1862 C LEU B 309 56.614 -10.753 6.258 1.00 42.30 C ATOM 1863 O LEU B 309 55.893 -10.151 5.458 1.00 13.44 O ATOM 1864 CB LEU B 309 58.237 -9.102 7.421 1.00 30.00 C ATOM 1865 CG LEU B 309 59.666 -9.673 7.271 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.835 -10.481 6.005 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.698 -8.565 7.337 1.00 12.40 C ATOM 0 H LEU B 309 58.218 -11.035 9.029 1.00 64.14 H new ATOM 0 HA LEU B 309 56.173 -9.485 7.851 1.00 52.01 H new ATOM 0 HB2 LEU B 309 58.038 -8.482 6.547 1.00 30.00 H new ATOM 0 HB3 LEU B 309 58.237 -8.441 8.287 1.00 30.00 H new ATOM 0 HG LEU B 309 59.824 -10.353 8.108 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.856 -10.859 5.948 1.00 10.42 H new ATOM 0 HD12 LEU B 309 59.138 -11.319 6.012 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.634 -9.849 5.140 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.696 -8.990 7.229 1.00 12.40 H new ATOM 0 HD22 LEU B 309 60.518 -7.852 6.532 1.00 12.40 H new ATOM 0 HD23 LEU B 309 60.623 -8.055 8.297 1.00 12.40 H new ATOM 1879 N TRP B 310 57.013 -11.992 6.059 1.00 43.14 N ATOM 1880 CA TRP B 310 56.668 -12.718 4.847 1.00 14.01 C ATOM 1881 C TRP B 310 55.237 -13.210 4.948 1.00 31.23 C ATOM 1882 O TRP B 310 54.462 -13.130 4.005 1.00 14.12 O ATOM 1883 CB TRP B 310 57.649 -13.885 4.624 1.00 43.11 C ATOM 1884 CG TRP B 310 57.345 -14.734 3.423 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.662 -15.899 3.416 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.707 -14.477 2.062 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.581 -16.397 2.141 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.204 -15.541 1.291 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.402 -13.457 1.425 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.374 -15.611 -0.082 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.573 -13.524 0.060 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.059 -14.594 -0.684 1.00 52.42 C ATOM 0 H TRP B 310 57.579 -12.522 6.722 1.00 43.14 H new ATOM 0 HA TRP B 310 56.747 -12.054 3.986 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.656 -13.482 4.522 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.647 -14.519 5.511 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.240 -16.371 4.291 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.126 -17.270 1.874 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.801 -12.627 1.989 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 56.980 -16.438 -0.654 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 59.113 -12.737 -0.446 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.207 -14.615 -1.754 1.00 52.42 H new ATOM 1903 N SER B 311 54.873 -13.648 6.126 1.00 14.42 N ATOM 1904 CA SER B 311 53.542 -14.141 6.375 1.00 14.14 C ATOM 1905 C SER B 311 52.521 -12.977 6.395 1.00 41.41 C ATOM 1906 O SER B 311 51.313 -13.192 6.308 1.00 31.14 O ATOM 1907 CB SER B 311 53.523 -14.891 7.715 1.00 42.43 C ATOM 1908 OG SER B 311 54.534 -15.907 7.749 1.00 14.24 O ATOM 0 H SER B 311 55.489 -13.673 6.938 1.00 14.42 H new ATOM 0 HA SER B 311 53.258 -14.822 5.573 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.682 -14.187 8.532 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.543 -15.343 7.869 1.00 42.43 H new ATOM 0 HG SER B 311 55.344 -15.549 8.169 1.00 14.24 H new ATOM 1914 N SER B 312 53.023 -11.755 6.441 1.00 1.11 N ATOM 1915 CA SER B 312 52.190 -10.586 6.588 1.00 11.44 C ATOM 1916 C SER B 312 52.101 -9.780 5.290 1.00 60.40 C ATOM 1917 O SER B 312 51.603 -8.660 5.290 1.00 41.34 O ATOM 1918 CB SER B 312 52.768 -9.719 7.704 1.00 21.31 C ATOM 1919 OG SER B 312 52.870 -10.464 8.913 1.00 22.34 O ATOM 0 H SER B 312 54.020 -11.551 6.377 1.00 1.11 H new ATOM 0 HA SER B 312 51.178 -10.907 6.835 1.00 11.44 H new ATOM 0 HB2 SER B 312 53.752 -9.350 7.413 1.00 21.31 H new ATOM 0 HB3 SER B 312 52.134 -8.846 7.860 1.00 21.31 H new ATOM 0 HG SER B 312 53.555 -11.158 8.813 1.00 22.34 H new ATOM 1925 N LEU B 313 52.547 -10.345 4.184 1.00 4.23 N ATOM 1926 CA LEU B 313 52.531 -9.594 2.937 1.00 14.51 C ATOM 1927 C LEU B 313 51.304 -9.903 2.080 1.00 52.23 C ATOM 1928 O LEU B 313 51.206 -9.462 0.931 1.00 52.02 O ATOM 1929 CB LEU B 313 53.876 -9.740 2.173 1.00 61.41 C ATOM 1930 CG LEU B 313 54.332 -11.135 1.699 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.525 -11.657 0.512 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.809 -11.099 1.370 1.00 23.23 C ATOM 0 H LEU B 313 52.916 -11.294 4.119 1.00 4.23 H new ATOM 0 HA LEU B 313 52.435 -8.539 3.192 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.824 -9.097 1.294 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.661 -9.340 2.815 1.00 61.41 H new ATOM 0 HG LEU B 313 54.151 -11.833 2.517 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.894 -12.642 0.226 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.474 -11.730 0.791 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.630 -10.972 -0.329 1.00 73.31 H new ATOM 0 HD21 LEU B 313 56.131 -12.085 1.035 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.988 -10.371 0.579 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.373 -10.816 2.259 1.00 23.23 H new ATOM 1944 N GLU B 314 50.350 -10.608 2.678 1.00 50.02 N ATOM 1945 CA GLU B 314 49.116 -10.992 2.016 1.00 22.11 C ATOM 1946 C GLU B 314 48.248 -9.730 1.790 1.00 24.03 C ATOM 1947 O GLU B 314 48.462 -8.708 2.459 1.00 52.11 O ATOM 1948 CB GLU B 314 48.357 -12.035 2.879 1.00 41.12 C ATOM 1949 CG GLU B 314 47.793 -11.486 4.169 1.00 31.33 C ATOM 1950 CD GLU B 314 47.008 -12.510 4.947 1.00 73.45 C ATOM 1951 OE1 GLU B 314 45.855 -12.818 4.568 1.00 40.53 O ATOM 1952 OE2 GLU B 314 47.506 -13.001 5.979 1.00 13.23 O ATOM 0 H GLU B 314 50.415 -10.930 3.644 1.00 50.02 H new ATOM 0 HA GLU B 314 49.339 -11.446 1.051 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.541 -12.453 2.289 1.00 41.12 H new ATOM 0 HB3 GLU B 314 49.034 -12.857 3.113 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.610 -11.114 4.788 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.150 -10.635 3.946 1.00 31.33 H new ATOM 1959 N PRO B 315 47.294 -9.774 0.848 1.00 10.45 N ATOM 1960 CA PRO B 315 46.456 -8.624 0.528 1.00 54.32 C ATOM 1961 C PRO B 315 45.642 -8.132 1.710 1.00 3.22 C ATOM 1962 O PRO B 315 45.884 -7.024 2.223 1.00 2.51 O ATOM 1963 CB PRO B 315 45.557 -9.102 -0.623 1.00 25.23 C ATOM 1964 CG PRO B 315 45.688 -10.581 -0.657 1.00 44.42 C ATOM 1965 CD PRO B 315 46.975 -10.941 0.024 1.00 62.12 C ATOM 0 HA PRO B 315 47.064 -7.763 0.251 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.521 -8.806 -0.458 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.868 -8.661 -1.570 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.844 -11.051 -0.153 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.686 -10.942 -1.686 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.864 -11.838 0.633 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.764 -11.143 -0.700 1.00 62.12 H new ATOM 1973 N ASP B 316 44.736 -8.947 2.183 1.00 41.21 N ATOM 1974 CA ASP B 316 43.865 -8.544 3.249 1.00 41.22 C ATOM 1975 C ASP B 316 43.216 -9.741 3.872 1.00 10.30 C ATOM 1976 O ASP B 316 43.442 -9.984 5.058 1.00 0.00 O ATOM 1977 CB ASP B 316 42.822 -7.549 2.763 1.00 11.05 C ATOM 1978 CG ASP B 316 41.898 -7.101 3.866 1.00 61.13 C ATOM 1979 OD1 ASP B 316 42.297 -6.227 4.662 1.00 1.52 O ATOM 1980 OD2 ASP B 316 40.749 -7.579 3.946 1.00 52.21 O ATOM 1981 OXT ASP B 316 42.548 -10.519 3.144 1.00 0.00 O ATOM 0 H ASP B 316 44.584 -9.897 1.844 1.00 41.21 H new ATOM 0 HA ASP B 316 44.466 -8.043 4.008 1.00 41.22 H new ATOM 0 HB2 ASP B 316 43.323 -6.680 2.337 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.236 -8.002 1.963 1.00 11.05 H new TER 1986 ASP B 316