USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1049 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 MET CE :methyl -176:sc= -1.24 (180deg=-0.805) USER MOD Set 1.2: A 131 GLN : amide:sc= -1.17 K(o=-2.4,f=-6.8!) USER MOD Set 1.3: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 CYS SG : rot -17:sc= -1.41! USER MOD Set 2.2: A 90 LYS NZ :NH3+ 147:sc= 1.28 (180deg=0.229) USER MOD Set 3.1: A 67 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.042) USER MOD Set 3.2: A 97 MET CE :methyl -169:sc= 0 (180deg=-0.0453) USER MOD Set 4.1: A 61 THR OG1 : rot -81:sc= 0.317 USER MOD Set 4.2: A 62 LYS NZ :NH3+ -124:sc= 0.338 (180deg=0.282) USER MOD Set 5.1: A 54 SER OG : rot -70:sc= -0.13 USER MOD Set 5.2: A 76 CYS SG : rot 88:sc= -3.94! USER MOD Set 6.1: A 26 CYS SG : rot 74:sc= 0.532 USER MOD Set 6.2: A 38 HIS : no HE2:sc= -0.505 X(o=0.028,f=0.35) USER MOD Set 7.1: A 34 GLN : amide:sc=-0.00786 K(o=0.79,f=-5.6!) USER MOD Set 7.2: A 37 LYS NZ :NH3+ -176:sc= 0.8 (180deg=0) USER MOD Set 8.1: A 24 ASN : amide:sc= 0.489 K(o=0.79,f=-0.68) USER MOD Set 8.2: A 39 TYR OH : rot -13:sc= -0.0986 USER MOD Set 8.3: A 55 ASN : amide:sc= 0.401 K(o=0.79,f=-0.68) USER MOD Set 9.1: A 12 ASN : amide:sc= 0 K(o=-0.17,f=-0.93) USER MOD Set 9.2: A 18 MET CE :methyl 141:sc= -0.168 (180deg=-0.758) USER MOD Set10.1: A 5 HIS : no HE2:sc= 0.776 K(o=1.9,f=-3.2) USER MOD Set10.2: A 9 SER OG : rot -146:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.129 (180deg=-0.0732) USER MOD Single : A 3 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 4 HIS : no HD1:sc=-0.00136 X(o=-0.0014,f=-0.076) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0005) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.0063) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= 0.826 (180deg=-0.502) USER MOD Single : A 21 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.76) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc=-0.00293 (180deg=-0.0449) USER MOD Single : A 28 GLN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 158:sc= -0.343 (180deg=-1.13) USER MOD Single : A 40 THR OG1 : rot 62:sc= 1.04 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000541) USER MOD Single : A 46 ASN : amide:sc= -0.215 K(o=-0.22,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= -0.0021 (180deg=-0.0455) USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= 0.239 (180deg=-0.389) USER MOD Single : A 53 TYR OH : rot 15:sc= 0 USER MOD Single : A 59 CYS SG : rot 104:sc= -0.275 USER MOD Single : A 60 TYR OH : rot 1:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0.228 (180deg=0.22) USER MOD Single : A 78 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.23) USER MOD Single : A 82 THR OG1 : rot -84:sc= 0.257 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0.647 (180deg=0.607) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -16:sc= 0.479 USER MOD Single : A 98 LYS NZ :NH3+ -169:sc=-0.00622 (180deg=-0.132) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.063 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot -72:sc= 0.0104 USER MOD Single : A 108 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.012) USER MOD Single : A 109 LYS NZ :NH3+ 150:sc= 0.573 (180deg=0.199) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -24:sc= 0.194 USER MOD Single : A 117 CYS SG : rot -50:sc= -10.1! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 127 CYS SG : rot -95:sc= -3.99! USER MOD Single : A 128 MET CE :methyl -159:sc= -0.0704 (180deg=-0.495) USER MOD Single : A 129 MET CE :methyl -160:sc= -0.115 (180deg=-0.563) USER MOD Single : A 133 ASN :FLIP amide:sc= -0.345 F(o=-0.93,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.928 7.651 11.904 1.00 22.34 N ATOM 2 CA MET A 1 11.210 8.328 10.795 1.00 11.14 C ATOM 3 C MET A 1 10.568 9.631 11.295 1.00 44.33 C ATOM 4 O MET A 1 10.610 9.927 12.498 1.00 1.21 O ATOM 5 CB MET A 1 10.146 7.383 10.167 1.00 5.54 C ATOM 6 CG MET A 1 10.727 6.089 9.581 1.00 2.41 C ATOM 7 SD MET A 1 9.489 5.068 8.751 1.00 31.53 S ATOM 8 CE MET A 1 10.454 3.630 8.275 1.00 72.12 C ATOM 0 H1 MET A 1 12.911 7.466 11.619 1.00 22.34 H new ATOM 0 H2 MET A 1 11.921 8.261 12.746 1.00 22.34 H new ATOM 0 H3 MET A 1 11.456 6.751 12.125 1.00 22.34 H new ATOM 0 HA MET A 1 11.930 8.579 10.016 1.00 11.14 H new ATOM 0 HB2 MET A 1 9.409 7.126 10.928 1.00 5.54 H new ATOM 0 HB3 MET A 1 9.617 7.921 9.380 1.00 5.54 H new ATOM 0 HG2 MET A 1 11.516 6.340 8.872 1.00 2.41 H new ATOM 0 HG3 MET A 1 11.189 5.511 10.381 1.00 2.41 H new ATOM 0 HE1 MET A 1 9.814 2.919 7.754 1.00 72.12 H new ATOM 0 HE2 MET A 1 11.266 3.938 7.616 1.00 72.12 H new ATOM 0 HE3 MET A 1 10.869 3.159 9.166 1.00 72.12 H new ATOM 20 N GLY A 2 9.962 10.394 10.366 1.00 62.05 N ATOM 21 CA GLY A 2 9.435 11.721 10.672 1.00 61.31 C ATOM 22 C GLY A 2 10.550 12.758 10.714 1.00 22.52 C ATOM 23 O GLY A 2 10.792 13.377 11.760 1.00 25.00 O ATOM 0 H GLY A 2 9.829 10.106 9.397 1.00 62.05 H new ATOM 0 HA2 GLY A 2 8.698 12.005 9.921 1.00 61.31 H new ATOM 0 HA3 GLY A 2 8.919 11.698 11.632 1.00 61.31 H new ATOM 27 N HIS A 3 11.250 12.915 9.563 1.00 53.01 N ATOM 28 CA HIS A 3 12.374 13.863 9.411 1.00 53.10 C ATOM 29 C HIS A 3 11.863 15.312 9.592 1.00 30.51 C ATOM 30 O HIS A 3 11.271 15.896 8.674 1.00 52.41 O ATOM 31 CB HIS A 3 13.065 13.665 8.026 1.00 74.23 C ATOM 32 CG HIS A 3 14.376 14.397 7.864 1.00 20.04 C ATOM 33 ND1 HIS A 3 14.751 15.033 6.699 1.00 43.13 N ATOM 34 CD2 HIS A 3 15.418 14.553 8.718 1.00 62.41 C ATOM 35 CE1 HIS A 3 15.957 15.550 6.849 1.00 43.21 C ATOM 36 NE2 HIS A 3 16.377 15.274 8.065 1.00 15.21 N ATOM 0 H HIS A 3 11.048 12.386 8.715 1.00 53.01 H new ATOM 0 HA HIS A 3 13.121 13.669 10.181 1.00 53.10 H new ATOM 0 HB2 HIS A 3 13.238 12.600 7.870 1.00 74.23 H new ATOM 0 HB3 HIS A 3 12.381 13.995 7.244 1.00 74.23 H new ATOM 0 HD2 HIS A 3 15.478 14.176 9.728 1.00 62.41 H new ATOM 0 HE1 HIS A 3 16.505 16.104 6.101 1.00 43.21 H new ATOM 0 HE2 HIS A 3 17.276 15.554 8.458 1.00 15.21 H new ATOM 45 N HIS A 4 12.048 15.841 10.812 1.00 73.54 N ATOM 46 CA HIS A 4 11.527 17.155 11.230 1.00 44.22 C ATOM 47 C HIS A 4 12.618 18.228 11.141 1.00 13.35 C ATOM 48 O HIS A 4 13.818 17.923 11.172 1.00 53.43 O ATOM 49 CB HIS A 4 10.969 17.086 12.680 1.00 73.12 C ATOM 50 CG HIS A 4 12.002 16.760 13.740 1.00 72.34 C ATOM 51 ND1 HIS A 4 12.722 17.733 14.409 1.00 13.50 N ATOM 52 CD2 HIS A 4 12.440 15.573 14.234 1.00 54.53 C ATOM 53 CE1 HIS A 4 13.548 17.160 15.258 1.00 5.43 C ATOM 54 NE2 HIS A 4 13.397 15.854 15.173 1.00 63.22 N ATOM 0 H HIS A 4 12.570 15.363 11.546 1.00 73.54 H new ATOM 0 HA HIS A 4 10.717 17.425 10.553 1.00 44.22 H new ATOM 0 HB2 HIS A 4 10.508 18.043 12.923 1.00 73.12 H new ATOM 0 HB3 HIS A 4 10.181 16.334 12.716 1.00 73.12 H new ATOM 0 HD2 HIS A 4 12.098 14.591 13.941 1.00 54.53 H new ATOM 0 HE1 HIS A 4 14.235 17.674 15.914 1.00 5.43 H new ATOM 0 HE2 HIS A 4 13.911 15.162 15.719 1.00 63.22 H new ATOM 63 N HIS A 5 12.174 19.482 11.063 1.00 4.22 N ATOM 64 CA HIS A 5 13.041 20.667 11.021 1.00 11.54 C ATOM 65 C HIS A 5 12.234 21.852 11.574 1.00 55.43 C ATOM 66 O HIS A 5 10.991 21.808 11.562 1.00 11.00 O ATOM 67 CB HIS A 5 13.511 20.929 9.559 1.00 43.30 C ATOM 68 CG HIS A 5 14.680 21.863 9.400 1.00 41.34 C ATOM 69 ND1 HIS A 5 15.986 21.453 9.559 1.00 11.42 N ATOM 70 CD2 HIS A 5 14.744 23.170 9.060 1.00 12.03 C ATOM 71 CE1 HIS A 5 16.796 22.460 9.324 1.00 22.51 C ATOM 72 NE2 HIS A 5 16.072 23.515 9.021 1.00 54.45 N ATOM 0 H HIS A 5 11.181 19.711 11.026 1.00 4.22 H new ATOM 0 HA HIS A 5 13.936 20.521 11.626 1.00 11.54 H new ATOM 0 HB2 HIS A 5 13.771 19.973 9.105 1.00 43.30 H new ATOM 0 HB3 HIS A 5 12.670 21.332 8.995 1.00 43.30 H new ATOM 0 HD1 HIS A 5 16.279 20.511 9.819 1.00 11.42 H new ATOM 0 HD2 HIS A 5 13.907 23.821 8.857 1.00 12.03 H new ATOM 0 HE1 HIS A 5 17.874 22.427 9.372 1.00 22.51 H new ATOM 81 N HIS A 6 12.936 22.886 12.087 1.00 13.32 N ATOM 82 CA HIS A 6 12.290 24.123 12.581 1.00 2.14 C ATOM 83 C HIS A 6 11.427 24.766 11.471 1.00 53.23 C ATOM 84 O HIS A 6 11.889 24.920 10.339 1.00 73.31 O ATOM 85 CB HIS A 6 13.347 25.127 13.108 1.00 61.14 C ATOM 86 CG HIS A 6 14.044 24.693 14.374 1.00 40.51 C ATOM 87 ND1 HIS A 6 15.399 24.831 14.572 1.00 3.45 N ATOM 88 CD2 HIS A 6 13.555 24.174 15.528 1.00 43.23 C ATOM 89 CE1 HIS A 6 15.708 24.418 15.782 1.00 54.24 C ATOM 90 NE2 HIS A 6 14.610 24.017 16.383 1.00 72.01 N ATOM 0 H HIS A 6 13.953 22.889 12.170 1.00 13.32 H new ATOM 0 HA HIS A 6 11.636 23.857 13.412 1.00 2.14 H new ATOM 0 HB2 HIS A 6 14.096 25.288 12.332 1.00 61.14 H new ATOM 0 HB3 HIS A 6 12.862 26.087 13.286 1.00 61.14 H new ATOM 0 HD2 HIS A 6 12.523 23.930 15.733 1.00 43.23 H new ATOM 0 HE1 HIS A 6 16.699 24.410 16.211 1.00 54.24 H new ATOM 0 HE2 HIS A 6 14.554 23.649 17.333 1.00 72.01 H new ATOM 99 N HIS A 7 10.169 25.110 11.807 1.00 21.34 N ATOM 100 CA HIS A 7 9.157 25.534 10.811 1.00 34.32 C ATOM 101 C HIS A 7 9.355 27.004 10.366 1.00 13.54 C ATOM 102 O HIS A 7 8.845 27.416 9.319 1.00 32.15 O ATOM 103 CB HIS A 7 7.730 25.289 11.362 1.00 54.45 C ATOM 104 CG HIS A 7 6.636 25.489 10.339 1.00 63.23 C ATOM 105 ND1 HIS A 7 5.704 26.502 10.410 1.00 33.12 N ATOM 106 CD2 HIS A 7 6.350 24.802 9.206 1.00 32.34 C ATOM 107 CE1 HIS A 7 4.897 26.428 9.368 1.00 23.41 C ATOM 108 NE2 HIS A 7 5.270 25.407 8.628 1.00 64.21 N ATOM 0 H HIS A 7 9.824 25.103 12.767 1.00 21.34 H new ATOM 0 HA HIS A 7 9.290 24.924 9.917 1.00 34.32 H new ATOM 0 HB2 HIS A 7 7.670 24.272 11.749 1.00 54.45 H new ATOM 0 HB3 HIS A 7 7.555 25.961 12.202 1.00 54.45 H new ATOM 0 HD2 HIS A 7 6.877 23.938 8.830 1.00 32.34 H new ATOM 0 HE1 HIS A 7 4.072 27.092 9.159 1.00 23.41 H new ATOM 0 HE2 HIS A 7 4.823 25.113 7.759 1.00 64.21 H new ATOM 117 N HIS A 8 10.100 27.790 11.168 1.00 34.42 N ATOM 118 CA HIS A 8 10.503 29.175 10.799 1.00 73.12 C ATOM 119 C HIS A 8 11.837 29.190 10.038 1.00 61.55 C ATOM 120 O HIS A 8 12.314 30.249 9.614 1.00 52.12 O ATOM 121 CB HIS A 8 10.582 30.088 12.051 1.00 71.53 C ATOM 122 CG HIS A 8 9.257 30.338 12.728 1.00 63.44 C ATOM 123 ND1 HIS A 8 9.012 30.048 14.055 1.00 62.33 N ATOM 124 CD2 HIS A 8 8.117 30.902 12.257 1.00 74.44 C ATOM 125 CE1 HIS A 8 7.787 30.424 14.366 1.00 34.11 C ATOM 126 NE2 HIS A 8 7.226 30.940 13.293 1.00 60.43 N ATOM 0 H HIS A 8 10.440 27.493 12.083 1.00 34.42 H new ATOM 0 HA HIS A 8 9.733 29.569 10.135 1.00 73.12 H new ATOM 0 HB2 HIS A 8 11.264 29.637 12.771 1.00 71.53 H new ATOM 0 HB3 HIS A 8 11.013 31.046 11.760 1.00 71.53 H new ATOM 0 HD2 HIS A 8 7.945 31.255 11.251 1.00 74.44 H new ATOM 0 HE1 HIS A 8 7.323 30.325 15.336 1.00 34.11 H new ATOM 0 HE2 HIS A 8 6.277 31.310 13.242 1.00 60.43 H new ATOM 135 N SER A 9 12.420 28.014 9.866 1.00 64.21 N ATOM 136 CA SER A 9 13.667 27.838 9.122 1.00 73.20 C ATOM 137 C SER A 9 13.328 27.600 7.647 1.00 62.14 C ATOM 138 O SER A 9 12.630 26.636 7.314 1.00 75.15 O ATOM 139 CB SER A 9 14.471 26.664 9.707 1.00 41.11 C ATOM 140 OG SER A 9 15.670 26.439 8.987 1.00 53.02 O ATOM 0 H SER A 9 12.041 27.144 10.241 1.00 64.21 H new ATOM 0 HA SER A 9 14.285 28.732 9.205 1.00 73.20 H new ATOM 0 HB2 SER A 9 14.707 26.869 10.751 1.00 41.11 H new ATOM 0 HB3 SER A 9 13.861 25.761 9.689 1.00 41.11 H new ATOM 0 HG SER A 9 15.870 25.480 8.976 1.00 53.02 H new ATOM 146 N HIS A 10 13.833 28.489 6.773 1.00 22.52 N ATOM 147 CA HIS A 10 13.562 28.457 5.318 1.00 1.31 C ATOM 148 C HIS A 10 14.569 27.523 4.618 1.00 74.50 C ATOM 149 O HIS A 10 15.286 27.911 3.687 1.00 73.21 O ATOM 150 CB HIS A 10 13.601 29.899 4.731 1.00 3.44 C ATOM 151 CG HIS A 10 12.484 30.802 5.203 1.00 63.02 C ATOM 152 ND1 HIS A 10 11.848 31.703 4.379 1.00 32.44 N ATOM 153 CD2 HIS A 10 11.901 30.951 6.420 1.00 5.34 C ATOM 154 CE1 HIS A 10 10.931 32.354 5.061 1.00 11.24 C ATOM 155 NE2 HIS A 10 10.940 31.916 6.302 1.00 5.23 N ATOM 0 H HIS A 10 14.444 29.255 7.054 1.00 22.52 H new ATOM 0 HA HIS A 10 12.562 28.060 5.142 1.00 1.31 H new ATOM 0 HB2 HIS A 10 14.555 30.357 4.991 1.00 3.44 H new ATOM 0 HB3 HIS A 10 13.564 29.835 3.643 1.00 3.44 H new ATOM 0 HD2 HIS A 10 12.151 30.406 7.318 1.00 5.34 H new ATOM 0 HE1 HIS A 10 10.279 33.120 4.668 1.00 11.24 H new ATOM 0 HE2 HIS A 10 10.331 32.243 7.052 1.00 5.23 H new ATOM 164 N MET A 11 14.613 26.278 5.111 1.00 61.44 N ATOM 165 CA MET A 11 15.450 25.195 4.582 1.00 72.43 C ATOM 166 C MET A 11 14.544 24.042 4.135 1.00 52.33 C ATOM 167 O MET A 11 14.627 23.587 2.985 1.00 42.00 O ATOM 168 CB MET A 11 16.446 24.707 5.675 1.00 75.13 C ATOM 169 CG MET A 11 17.388 25.791 6.210 1.00 1.32 C ATOM 170 SD MET A 11 18.490 25.166 7.497 1.00 63.20 S ATOM 171 CE MET A 11 19.452 26.626 7.897 1.00 73.41 C ATOM 0 H MET A 11 14.051 25.989 5.912 1.00 61.44 H new ATOM 0 HA MET A 11 16.026 25.557 3.731 1.00 72.43 H new ATOM 0 HB2 MET A 11 15.877 24.295 6.508 1.00 75.13 H new ATOM 0 HB3 MET A 11 17.045 23.894 5.265 1.00 75.13 H new ATOM 0 HG2 MET A 11 17.982 26.191 5.388 1.00 1.32 H new ATOM 0 HG3 MET A 11 16.799 26.617 6.609 1.00 1.32 H new ATOM 0 HE1 MET A 11 20.173 26.384 8.678 1.00 73.41 H new ATOM 0 HE2 MET A 11 19.982 26.967 7.008 1.00 73.41 H new ATOM 0 HE3 MET A 11 18.787 27.415 8.248 1.00 73.41 H new ATOM 181 N ASN A 12 13.657 23.616 5.076 1.00 31.32 N ATOM 182 CA ASN A 12 12.780 22.429 4.949 1.00 41.44 C ATOM 183 C ASN A 12 13.581 21.105 4.821 1.00 20.52 C ATOM 184 O ASN A 12 14.654 21.067 4.198 1.00 5.34 O ATOM 185 CB ASN A 12 11.754 22.594 3.781 1.00 44.14 C ATOM 186 CG ASN A 12 10.511 23.398 4.178 1.00 61.45 C ATOM 187 OD1 ASN A 12 9.507 22.835 4.625 1.00 53.41 O ATOM 188 ND2 ASN A 12 10.575 24.714 4.049 1.00 50.00 N ATOM 0 H ASN A 12 13.533 24.104 5.963 1.00 31.32 H new ATOM 0 HA ASN A 12 12.215 22.361 5.879 1.00 41.44 H new ATOM 0 HB2 ASN A 12 12.245 23.087 2.942 1.00 44.14 H new ATOM 0 HB3 ASN A 12 11.445 21.607 3.435 1.00 44.14 H new ATOM 0 HD21 ASN A 12 9.781 25.292 4.322 1.00 50.00 H new ATOM 0 HD22 ASN A 12 11.419 25.149 3.676 1.00 50.00 H new ATOM 195 N PRO A 13 13.073 19.978 5.422 1.00 71.24 N ATOM 196 CA PRO A 13 13.659 18.645 5.197 1.00 25.25 C ATOM 197 C PRO A 13 13.457 18.201 3.731 1.00 72.40 C ATOM 198 O PRO A 13 14.383 17.662 3.115 1.00 62.22 O ATOM 199 CB PRO A 13 12.905 17.725 6.196 1.00 50.40 C ATOM 200 CG PRO A 13 12.168 18.643 7.127 1.00 24.25 C ATOM 201 CD PRO A 13 11.914 19.911 6.344 1.00 3.10 C ATOM 0 HA PRO A 13 14.736 18.618 5.360 1.00 25.25 H new ATOM 0 HB2 PRO A 13 12.215 17.063 5.673 1.00 50.40 H new ATOM 0 HB3 PRO A 13 13.601 17.090 6.744 1.00 50.40 H new ATOM 0 HG2 PRO A 13 11.231 18.194 7.458 1.00 24.25 H new ATOM 0 HG3 PRO A 13 12.757 18.847 8.021 1.00 24.25 H new ATOM 0 HD2 PRO A 13 10.970 19.867 5.801 1.00 3.10 H new ATOM 0 HD3 PRO A 13 11.867 20.784 6.995 1.00 3.10 H new ATOM 209 N ASP A 14 12.230 18.466 3.198 1.00 31.22 N ATOM 210 CA ASP A 14 11.849 18.181 1.792 1.00 31.41 C ATOM 211 C ASP A 14 10.388 18.612 1.538 1.00 1.43 C ATOM 212 O ASP A 14 9.468 18.105 2.179 1.00 71.54 O ATOM 213 CB ASP A 14 12.041 16.668 1.447 1.00 53.00 C ATOM 214 CG ASP A 14 11.611 16.275 0.022 1.00 72.41 C ATOM 215 OD1 ASP A 14 11.948 16.998 -0.935 1.00 60.25 O ATOM 216 OD2 ASP A 14 10.954 15.229 -0.144 1.00 13.11 O ATOM 0 H ASP A 14 11.475 18.887 3.740 1.00 31.22 H new ATOM 0 HA ASP A 14 12.506 18.757 1.140 1.00 31.41 H new ATOM 0 HB2 ASP A 14 13.092 16.409 1.579 1.00 53.00 H new ATOM 0 HB3 ASP A 14 11.473 16.071 2.161 1.00 53.00 H new ATOM 221 N LEU A 15 10.184 19.556 0.592 1.00 34.33 N ATOM 222 CA LEU A 15 8.838 20.014 0.173 1.00 1.43 C ATOM 223 C LEU A 15 7.994 18.855 -0.395 1.00 3.52 C ATOM 224 O LEU A 15 6.784 18.776 -0.141 1.00 44.11 O ATOM 225 CB LEU A 15 8.922 21.156 -0.877 1.00 24.31 C ATOM 226 CG LEU A 15 9.529 22.515 -0.383 1.00 54.23 C ATOM 227 CD1 LEU A 15 11.063 22.482 -0.293 1.00 73.13 C ATOM 228 CD2 LEU A 15 9.043 23.697 -1.256 1.00 44.31 C ATOM 0 H LEU A 15 10.945 20.022 0.098 1.00 34.33 H new ATOM 0 HA LEU A 15 8.350 20.397 1.069 1.00 1.43 H new ATOM 0 HB2 LEU A 15 9.517 20.802 -1.719 1.00 24.31 H new ATOM 0 HB3 LEU A 15 7.917 21.348 -1.254 1.00 24.31 H new ATOM 0 HG LEU A 15 9.162 22.669 0.632 1.00 54.23 H new ATOM 0 HD11 LEU A 15 11.428 23.449 0.054 1.00 73.13 H new ATOM 0 HD12 LEU A 15 11.370 21.705 0.408 1.00 73.13 H new ATOM 0 HD13 LEU A 15 11.481 22.268 -1.277 1.00 73.13 H new ATOM 0 HD21 LEU A 15 9.481 24.625 -0.888 1.00 44.31 H new ATOM 0 HD22 LEU A 15 9.349 23.536 -2.290 1.00 44.31 H new ATOM 0 HD23 LEU A 15 7.956 23.764 -1.206 1.00 44.31 H new ATOM 240 N ALA A 16 8.655 17.950 -1.140 1.00 25.53 N ATOM 241 CA ALA A 16 8.015 16.742 -1.694 1.00 62.15 C ATOM 242 C ALA A 16 7.543 15.789 -0.560 1.00 21.22 C ATOM 243 O ALA A 16 6.712 14.907 -0.796 1.00 44.14 O ATOM 244 CB ALA A 16 8.944 16.030 -2.694 1.00 64.10 C ATOM 0 H ALA A 16 9.644 18.035 -1.374 1.00 25.53 H new ATOM 0 HA ALA A 16 7.127 17.052 -2.245 1.00 62.15 H new ATOM 0 HB1 ALA A 16 8.446 15.143 -3.086 1.00 64.10 H new ATOM 0 HB2 ALA A 16 9.181 16.706 -3.516 1.00 64.10 H new ATOM 0 HB3 ALA A 16 9.864 15.736 -2.190 1.00 64.10 H new ATOM 250 N LEU A 17 8.086 15.964 0.670 1.00 1.13 N ATOM 251 CA LEU A 17 7.623 15.232 1.857 1.00 64.00 C ATOM 252 C LEU A 17 6.413 15.971 2.477 1.00 65.13 C ATOM 253 O LEU A 17 5.554 15.351 3.100 1.00 71.34 O ATOM 254 CB LEU A 17 8.822 15.020 2.863 1.00 4.45 C ATOM 255 CG LEU A 17 8.756 15.704 4.278 1.00 62.44 C ATOM 256 CD1 LEU A 17 7.889 14.903 5.274 1.00 75.21 C ATOM 257 CD2 LEU A 17 10.160 15.925 4.854 1.00 20.41 C ATOM 0 H LEU A 17 8.850 16.613 0.858 1.00 1.13 H new ATOM 0 HA LEU A 17 7.277 14.235 1.585 1.00 64.00 H new ATOM 0 HB2 LEU A 17 8.935 13.947 3.020 1.00 4.45 H new ATOM 0 HB3 LEU A 17 9.731 15.367 2.371 1.00 4.45 H new ATOM 0 HG LEU A 17 8.281 16.674 4.133 1.00 62.44 H new ATOM 0 HD11 LEU A 17 7.874 15.415 6.236 1.00 75.21 H new ATOM 0 HD12 LEU A 17 6.872 14.823 4.889 1.00 75.21 H new ATOM 0 HD13 LEU A 17 8.308 13.905 5.400 1.00 75.21 H new ATOM 0 HD21 LEU A 17 10.081 16.399 5.832 1.00 20.41 H new ATOM 0 HD22 LEU A 17 10.667 14.965 4.956 1.00 20.41 H new ATOM 0 HD23 LEU A 17 10.731 16.568 4.184 1.00 20.41 H new ATOM 269 N MET A 18 6.328 17.294 2.282 1.00 62.52 N ATOM 270 CA MET A 18 5.233 18.103 2.859 1.00 42.53 C ATOM 271 C MET A 18 3.930 17.877 2.071 1.00 50.11 C ATOM 272 O MET A 18 2.840 17.851 2.646 1.00 13.34 O ATOM 273 CB MET A 18 5.626 19.597 2.885 1.00 24.21 C ATOM 274 CG MET A 18 6.865 19.901 3.740 1.00 0.15 C ATOM 275 SD MET A 18 6.654 19.399 5.465 1.00 74.43 S ATOM 276 CE MET A 18 8.253 19.813 6.158 1.00 3.11 C ATOM 0 H MET A 18 6.999 17.830 1.732 1.00 62.52 H new ATOM 0 HA MET A 18 5.061 17.786 3.887 1.00 42.53 H new ATOM 0 HB2 MET A 18 5.810 19.932 1.864 1.00 24.21 H new ATOM 0 HB3 MET A 18 4.784 20.177 3.264 1.00 24.21 H new ATOM 0 HG2 MET A 18 7.729 19.387 3.318 1.00 0.15 H new ATOM 0 HG3 MET A 18 7.078 20.969 3.699 1.00 0.15 H new ATOM 0 HE1 MET A 18 8.120 20.225 7.158 1.00 3.11 H new ATOM 0 HE2 MET A 18 8.869 18.915 6.214 1.00 3.11 H new ATOM 0 HE3 MET A 18 8.744 20.551 5.524 1.00 3.11 H new ATOM 286 N VAL A 19 4.065 17.669 0.751 1.00 21.13 N ATOM 287 CA VAL A 19 2.922 17.402 -0.138 1.00 3.11 C ATOM 288 C VAL A 19 2.329 15.986 0.124 1.00 62.22 C ATOM 289 O VAL A 19 1.129 15.758 -0.085 1.00 14.21 O ATOM 290 CB VAL A 19 3.324 17.557 -1.646 1.00 23.02 C ATOM 291 CG1 VAL A 19 4.296 16.448 -2.071 1.00 55.21 C ATOM 292 CG2 VAL A 19 2.082 17.614 -2.571 1.00 15.33 C ATOM 0 H VAL A 19 4.965 17.681 0.272 1.00 21.13 H new ATOM 0 HA VAL A 19 2.154 18.143 0.085 1.00 3.11 H new ATOM 0 HB VAL A 19 3.840 18.511 -1.753 1.00 23.02 H new ATOM 0 HG11 VAL A 19 4.560 16.578 -3.121 1.00 55.21 H new ATOM 0 HG12 VAL A 19 5.198 16.501 -1.461 1.00 55.21 H new ATOM 0 HG13 VAL A 19 3.822 15.476 -1.933 1.00 55.21 H new ATOM 0 HG21 VAL A 19 2.404 17.722 -3.607 1.00 15.33 H new ATOM 0 HG22 VAL A 19 1.506 16.695 -2.464 1.00 15.33 H new ATOM 0 HG23 VAL A 19 1.461 18.466 -2.294 1.00 15.33 H new ATOM 302 N LYS A 20 3.178 15.033 0.576 1.00 24.34 N ATOM 303 CA LYS A 20 2.703 13.685 0.942 1.00 75.00 C ATOM 304 C LYS A 20 2.086 13.710 2.349 1.00 63.24 C ATOM 305 O LYS A 20 1.266 12.863 2.658 1.00 62.41 O ATOM 306 CB LYS A 20 3.828 12.611 0.840 1.00 55.30 C ATOM 307 CG LYS A 20 4.868 12.616 1.984 1.00 61.21 C ATOM 308 CD LYS A 20 6.026 11.607 1.799 1.00 64.34 C ATOM 309 CE LYS A 20 6.815 11.830 0.499 1.00 44.50 C ATOM 310 NZ LYS A 20 7.950 10.890 0.377 1.00 75.02 N ATOM 0 H LYS A 20 4.181 15.173 0.694 1.00 24.34 H new ATOM 0 HA LYS A 20 1.936 13.397 0.223 1.00 75.00 H new ATOM 0 HB2 LYS A 20 3.362 11.626 0.802 1.00 55.30 H new ATOM 0 HB3 LYS A 20 4.354 12.751 -0.104 1.00 55.30 H new ATOM 0 HG2 LYS A 20 5.287 13.618 2.074 1.00 61.21 H new ATOM 0 HG3 LYS A 20 4.359 12.398 2.923 1.00 61.21 H new ATOM 0 HD2 LYS A 20 6.706 11.683 2.648 1.00 64.34 H new ATOM 0 HD3 LYS A 20 5.622 10.594 1.803 1.00 64.34 H new ATOM 0 HE2 LYS A 20 6.149 11.709 -0.356 1.00 44.50 H new ATOM 0 HE3 LYS A 20 7.187 12.854 0.471 1.00 44.50 H new ATOM 0 HZ1 LYS A 20 8.819 11.421 0.166 1.00 75.02 H new ATOM 0 HZ2 LYS A 20 8.069 10.372 1.271 1.00 75.02 H new ATOM 0 HZ3 LYS A 20 7.761 10.215 -0.392 1.00 75.02 H new ATOM 324 N ASN A 21 2.489 14.699 3.190 1.00 54.21 N ATOM 325 CA ASN A 21 1.906 14.890 4.541 1.00 24.35 C ATOM 326 C ASN A 21 0.436 15.304 4.430 1.00 23.23 C ATOM 327 O ASN A 21 -0.411 14.759 5.132 1.00 21.11 O ATOM 328 CB ASN A 21 2.681 15.947 5.382 1.00 72.14 C ATOM 329 CG ASN A 21 4.076 15.506 5.820 1.00 12.53 C ATOM 330 OD1 ASN A 21 4.352 14.315 5.989 1.00 32.23 O ATOM 331 ND2 ASN A 21 4.960 16.467 6.036 1.00 60.10 N ATOM 0 H ASN A 21 3.215 15.375 2.954 1.00 54.21 H new ATOM 0 HA ASN A 21 1.987 13.934 5.057 1.00 24.35 H new ATOM 0 HB2 ASN A 21 2.770 16.863 4.799 1.00 72.14 H new ATOM 0 HB3 ASN A 21 2.095 16.189 6.269 1.00 72.14 H new ATOM 0 HD21 ASN A 21 5.901 16.233 6.352 1.00 60.10 H new ATOM 0 HD22 ASN A 21 4.700 17.442 5.887 1.00 60.10 H new ATOM 338 N LYS A 22 0.149 16.287 3.547 1.00 73.43 N ATOM 339 CA LYS A 22 -1.228 16.768 3.305 1.00 32.33 C ATOM 340 C LYS A 22 -2.051 15.705 2.556 1.00 75.41 C ATOM 341 O LYS A 22 -3.249 15.608 2.774 1.00 64.33 O ATOM 342 CB LYS A 22 -1.212 18.123 2.544 1.00 51.45 C ATOM 343 CG LYS A 22 -0.491 18.089 1.184 1.00 3.33 C ATOM 344 CD LYS A 22 -0.210 19.485 0.594 1.00 53.23 C ATOM 345 CE LYS A 22 -1.479 20.237 0.157 1.00 4.20 C ATOM 346 NZ LYS A 22 -2.163 19.557 -0.971 1.00 63.24 N ATOM 0 H LYS A 22 0.857 16.764 2.989 1.00 73.43 H new ATOM 0 HA LYS A 22 -1.710 16.939 4.268 1.00 32.33 H new ATOM 0 HB2 LYS A 22 -2.240 18.448 2.387 1.00 51.45 H new ATOM 0 HB3 LYS A 22 -0.734 18.873 3.175 1.00 51.45 H new ATOM 0 HG2 LYS A 22 0.453 17.556 1.297 1.00 3.33 H new ATOM 0 HG3 LYS A 22 -1.095 17.521 0.477 1.00 3.33 H new ATOM 0 HD2 LYS A 22 0.319 20.083 1.335 1.00 53.23 H new ATOM 0 HD3 LYS A 22 0.454 19.380 -0.264 1.00 53.23 H new ATOM 0 HE2 LYS A 22 -2.163 20.317 1.002 1.00 4.20 H new ATOM 0 HE3 LYS A 22 -1.216 21.253 -0.137 1.00 4.20 H new ATOM 0 HZ1 LYS A 22 -3.031 20.076 -1.214 1.00 63.24 H new ATOM 0 HZ2 LYS A 22 -1.531 19.534 -1.797 1.00 63.24 H new ATOM 0 HZ3 LYS A 22 -2.407 18.585 -0.694 1.00 63.24 H new ATOM 360 N GLY A 23 -1.384 14.917 1.686 1.00 70.25 N ATOM 361 CA GLY A 23 -2.011 13.758 1.025 1.00 70.04 C ATOM 362 C GLY A 23 -2.518 12.710 2.029 1.00 61.54 C ATOM 363 O GLY A 23 -3.699 12.327 2.003 1.00 11.33 O ATOM 0 H GLY A 23 -0.409 15.065 1.426 1.00 70.25 H new ATOM 0 HA2 GLY A 23 -2.844 14.101 0.411 1.00 70.04 H new ATOM 0 HA3 GLY A 23 -1.290 13.293 0.353 1.00 70.04 H new ATOM 367 N ASN A 24 -1.596 12.278 2.922 1.00 22.44 N ATOM 368 CA ASN A 24 -1.874 11.344 4.040 1.00 4.23 C ATOM 369 C ASN A 24 -2.954 11.900 4.975 1.00 25.15 C ATOM 370 O ASN A 24 -3.848 11.162 5.404 1.00 3.54 O ATOM 371 CB ASN A 24 -0.582 11.057 4.872 1.00 12.12 C ATOM 372 CG ASN A 24 0.499 10.289 4.104 1.00 44.32 C ATOM 373 OD1 ASN A 24 0.204 9.500 3.219 1.00 22.44 O ATOM 374 ND2 ASN A 24 1.761 10.506 4.449 1.00 13.33 N ATOM 0 H ASN A 24 -0.621 12.574 2.885 1.00 22.44 H new ATOM 0 HA ASN A 24 -2.229 10.415 3.594 1.00 4.23 H new ATOM 0 HB2 ASN A 24 -0.166 12.004 5.215 1.00 12.12 H new ATOM 0 HB3 ASN A 24 -0.854 10.488 5.761 1.00 12.12 H new ATOM 0 HD21 ASN A 24 2.513 10.009 3.972 1.00 13.33 H new ATOM 0 HD22 ASN A 24 1.980 11.170 5.192 1.00 13.33 H new ATOM 381 N GLU A 25 -2.852 13.217 5.263 1.00 62.42 N ATOM 382 CA GLU A 25 -3.757 13.924 6.174 1.00 31.45 C ATOM 383 C GLU A 25 -5.180 13.930 5.613 1.00 12.43 C ATOM 384 O GLU A 25 -6.102 13.628 6.346 1.00 55.31 O ATOM 385 CB GLU A 25 -3.240 15.375 6.480 1.00 71.44 C ATOM 386 CG GLU A 25 -4.319 16.473 6.561 1.00 41.10 C ATOM 387 CD GLU A 25 -3.762 17.845 6.950 1.00 51.33 C ATOM 388 OE1 GLU A 25 -3.151 18.517 6.093 1.00 65.32 O ATOM 389 OE2 GLU A 25 -3.922 18.261 8.119 1.00 73.41 O ATOM 0 H GLU A 25 -2.131 13.817 4.862 1.00 62.42 H new ATOM 0 HA GLU A 25 -3.776 13.390 7.124 1.00 31.45 H new ATOM 0 HB2 GLU A 25 -2.699 15.355 7.426 1.00 71.44 H new ATOM 0 HB3 GLU A 25 -2.523 15.654 5.708 1.00 71.44 H new ATOM 0 HG2 GLU A 25 -4.819 16.552 5.596 1.00 41.10 H new ATOM 0 HG3 GLU A 25 -5.075 16.176 7.288 1.00 41.10 H new ATOM 396 N CYS A 26 -5.327 14.234 4.306 1.00 61.04 N ATOM 397 CA CYS A 26 -6.640 14.324 3.635 1.00 13.51 C ATOM 398 C CYS A 26 -7.449 13.027 3.799 1.00 5.22 C ATOM 399 O CYS A 26 -8.608 13.062 4.238 1.00 21.44 O ATOM 400 CB CYS A 26 -6.448 14.655 2.149 1.00 14.50 C ATOM 401 SG CYS A 26 -5.816 16.326 1.860 1.00 54.22 S ATOM 0 H CYS A 26 -4.539 14.424 3.687 1.00 61.04 H new ATOM 0 HA CYS A 26 -7.207 15.125 4.109 1.00 13.51 H new ATOM 0 HB2 CYS A 26 -5.759 13.933 1.710 1.00 14.50 H new ATOM 0 HB3 CYS A 26 -7.401 14.541 1.633 1.00 14.50 H new ATOM 0 HG CYS A 26 -4.556 16.374 2.176 1.00 54.22 H new ATOM 407 N PHE A 27 -6.789 11.891 3.501 1.00 4.14 N ATOM 408 CA PHE A 27 -7.361 10.547 3.675 1.00 2.44 C ATOM 409 C PHE A 27 -7.789 10.342 5.146 1.00 74.23 C ATOM 410 O PHE A 27 -8.933 9.959 5.433 1.00 5.43 O ATOM 411 CB PHE A 27 -6.326 9.486 3.214 1.00 32.42 C ATOM 412 CG PHE A 27 -6.877 8.064 3.129 1.00 32.13 C ATOM 413 CD1 PHE A 27 -7.673 7.666 2.055 1.00 71.50 C ATOM 414 CD2 PHE A 27 -6.607 7.137 4.123 1.00 1.30 C ATOM 415 CE1 PHE A 27 -8.172 6.379 1.983 1.00 25.04 C ATOM 416 CE2 PHE A 27 -7.106 5.851 4.054 1.00 2.04 C ATOM 417 CZ PHE A 27 -7.889 5.472 2.987 1.00 1.41 C ATOM 0 H PHE A 27 -5.839 11.883 3.131 1.00 4.14 H new ATOM 0 HA PHE A 27 -8.254 10.435 3.060 1.00 2.44 H new ATOM 0 HB2 PHE A 27 -5.941 9.773 2.235 1.00 32.42 H new ATOM 0 HB3 PHE A 27 -5.482 9.495 3.904 1.00 32.42 H new ATOM 0 HD1 PHE A 27 -7.902 8.372 1.270 1.00 71.50 H new ATOM 0 HD2 PHE A 27 -5.996 7.425 4.966 1.00 1.30 H new ATOM 0 HE1 PHE A 27 -8.783 6.082 1.143 1.00 25.04 H new ATOM 0 HE2 PHE A 27 -6.882 5.142 4.838 1.00 2.04 H new ATOM 0 HZ PHE A 27 -8.282 4.467 2.934 1.00 1.41 H new ATOM 427 N GLN A 28 -6.871 10.726 6.053 1.00 42.51 N ATOM 428 CA GLN A 28 -7.054 10.677 7.515 1.00 51.42 C ATOM 429 C GLN A 28 -8.184 11.635 7.994 1.00 12.30 C ATOM 430 O GLN A 28 -8.750 11.425 9.076 1.00 42.14 O ATOM 431 CB GLN A 28 -5.692 11.025 8.195 1.00 55.44 C ATOM 432 CG GLN A 28 -5.687 11.066 9.743 1.00 55.12 C ATOM 433 CD GLN A 28 -5.984 9.720 10.427 1.00 31.33 C ATOM 434 OE1 GLN A 28 -6.587 9.680 11.500 1.00 12.10 O ATOM 435 NE2 GLN A 28 -5.544 8.610 9.847 1.00 2.43 N ATOM 0 H GLN A 28 -5.957 11.089 5.781 1.00 42.51 H new ATOM 0 HA GLN A 28 -7.366 9.673 7.802 1.00 51.42 H new ATOM 0 HB2 GLN A 28 -4.951 10.294 7.870 1.00 55.44 H new ATOM 0 HB3 GLN A 28 -5.364 11.997 7.826 1.00 55.44 H new ATOM 0 HG2 GLN A 28 -4.713 11.421 10.080 1.00 55.12 H new ATOM 0 HG3 GLN A 28 -6.425 11.796 10.075 1.00 55.12 H new ATOM 0 HE21 GLN A 28 -5.046 8.662 8.958 1.00 2.43 H new ATOM 0 HE22 GLN A 28 -5.704 7.705 10.290 1.00 2.43 H new ATOM 444 N LYS A 29 -8.538 12.673 7.179 1.00 31.35 N ATOM 445 CA LYS A 29 -9.626 13.615 7.539 1.00 63.14 C ATOM 446 C LYS A 29 -10.997 12.979 7.267 1.00 32.21 C ATOM 447 O LYS A 29 -12.021 13.446 7.787 1.00 30.44 O ATOM 448 CB LYS A 29 -9.535 14.976 6.775 1.00 63.12 C ATOM 449 CG LYS A 29 -8.205 15.748 6.908 1.00 44.32 C ATOM 450 CD LYS A 29 -7.716 15.918 8.364 1.00 4.11 C ATOM 451 CE LYS A 29 -8.686 16.711 9.250 1.00 11.44 C ATOM 452 NZ LYS A 29 -8.153 16.890 10.625 1.00 32.02 N ATOM 0 H LYS A 29 -8.090 12.871 6.284 1.00 31.35 H new ATOM 0 HA LYS A 29 -9.508 13.824 8.602 1.00 63.14 H new ATOM 0 HB2 LYS A 29 -9.716 14.787 5.717 1.00 63.12 H new ATOM 0 HB3 LYS A 29 -10.341 15.620 7.127 1.00 63.12 H new ATOM 0 HG2 LYS A 29 -7.437 15.227 6.337 1.00 44.32 H new ATOM 0 HG3 LYS A 29 -8.323 16.734 6.459 1.00 44.32 H new ATOM 0 HD2 LYS A 29 -7.559 14.933 8.803 1.00 4.11 H new ATOM 0 HD3 LYS A 29 -6.749 16.421 8.357 1.00 4.11 H new ATOM 0 HE2 LYS A 29 -8.873 17.687 8.802 1.00 11.44 H new ATOM 0 HE3 LYS A 29 -9.644 16.193 9.296 1.00 11.44 H new ATOM 0 HZ1 LYS A 29 -8.835 17.430 11.194 1.00 32.02 H new ATOM 0 HZ2 LYS A 29 -7.998 15.959 11.061 1.00 32.02 H new ATOM 0 HZ3 LYS A 29 -7.251 17.407 10.583 1.00 32.02 H new ATOM 466 N GLY A 30 -11.002 11.914 6.448 1.00 53.30 N ATOM 467 CA GLY A 30 -12.237 11.254 6.027 1.00 21.40 C ATOM 468 C GLY A 30 -12.545 11.482 4.567 1.00 44.33 C ATOM 469 O GLY A 30 -13.538 10.960 4.053 1.00 12.24 O ATOM 0 H GLY A 30 -10.155 11.494 6.065 1.00 53.30 H new ATOM 0 HA2 GLY A 30 -12.155 10.183 6.215 1.00 21.40 H new ATOM 0 HA3 GLY A 30 -13.066 11.622 6.632 1.00 21.40 H new ATOM 473 N ASP A 31 -11.710 12.292 3.899 1.00 74.03 N ATOM 474 CA ASP A 31 -11.754 12.454 2.445 1.00 24.04 C ATOM 475 C ASP A 31 -10.977 11.294 1.813 1.00 44.14 C ATOM 476 O ASP A 31 -9.758 11.320 1.753 1.00 12.45 O ATOM 477 CB ASP A 31 -11.164 13.835 2.028 1.00 65.54 C ATOM 478 CG ASP A 31 -10.951 13.980 0.506 1.00 74.54 C ATOM 479 OD1 ASP A 31 -11.914 13.736 -0.267 1.00 25.15 O ATOM 480 OD2 ASP A 31 -9.824 14.343 0.079 1.00 63.15 O ATOM 0 H ASP A 31 -10.988 12.851 4.354 1.00 74.03 H new ATOM 0 HA ASP A 31 -12.785 12.433 2.092 1.00 24.04 H new ATOM 0 HB2 ASP A 31 -11.833 14.625 2.370 1.00 65.54 H new ATOM 0 HB3 ASP A 31 -10.211 13.982 2.536 1.00 65.54 H new ATOM 485 N TYR A 32 -11.701 10.239 1.431 1.00 31.12 N ATOM 486 CA TYR A 32 -11.136 9.061 0.747 1.00 35.12 C ATOM 487 C TYR A 32 -10.946 9.299 -0.784 1.00 2.34 C ATOM 488 O TYR A 32 -9.849 9.032 -1.281 1.00 51.44 O ATOM 489 CB TYR A 32 -12.007 7.795 1.020 1.00 22.03 C ATOM 490 CG TYR A 32 -11.894 7.207 2.446 1.00 24.12 C ATOM 491 CD1 TYR A 32 -11.863 8.023 3.582 1.00 41.12 C ATOM 492 CD2 TYR A 32 -11.823 5.830 2.648 1.00 41.11 C ATOM 493 CE1 TYR A 32 -11.769 7.487 4.853 1.00 31.32 C ATOM 494 CE2 TYR A 32 -11.727 5.289 3.915 1.00 64.35 C ATOM 495 CZ TYR A 32 -11.698 6.120 5.013 1.00 51.10 C ATOM 496 OH TYR A 32 -11.606 5.582 6.280 1.00 45.11 O ATOM 0 H TYR A 32 -12.707 10.173 1.587 1.00 31.12 H new ATOM 0 HA TYR A 32 -10.142 8.891 1.162 1.00 35.12 H new ATOM 0 HB2 TYR A 32 -13.051 8.045 0.830 1.00 22.03 H new ATOM 0 HB3 TYR A 32 -11.729 7.022 0.303 1.00 22.03 H new ATOM 0 HD1 TYR A 32 -11.914 9.095 3.463 1.00 41.12 H new ATOM 0 HD2 TYR A 32 -11.844 5.170 1.793 1.00 41.11 H new ATOM 0 HE1 TYR A 32 -11.751 8.136 5.716 1.00 31.32 H new ATOM 0 HE2 TYR A 32 -11.675 4.218 4.044 1.00 64.35 H new ATOM 0 HH TYR A 32 -11.566 4.605 6.218 1.00 45.11 H new ATOM 506 N PRO A 33 -11.982 9.811 -1.570 1.00 1.23 N ATOM 507 CA PRO A 33 -11.861 9.910 -3.051 1.00 15.40 C ATOM 508 C PRO A 33 -10.745 10.887 -3.485 1.00 21.50 C ATOM 509 O PRO A 33 -9.767 10.476 -4.126 1.00 21.53 O ATOM 510 CB PRO A 33 -13.272 10.390 -3.503 1.00 34.31 C ATOM 511 CG PRO A 33 -13.841 11.087 -2.303 1.00 23.40 C ATOM 512 CD PRO A 33 -13.309 10.333 -1.106 1.00 74.55 C ATOM 0 HA PRO A 33 -11.574 8.964 -3.510 1.00 15.40 H new ATOM 0 HB2 PRO A 33 -13.206 11.063 -4.358 1.00 34.31 H new ATOM 0 HB3 PRO A 33 -13.897 9.550 -3.806 1.00 34.31 H new ATOM 0 HG2 PRO A 33 -13.535 12.133 -2.275 1.00 23.40 H new ATOM 0 HG3 PRO A 33 -14.931 11.074 -2.322 1.00 23.40 H new ATOM 0 HD2 PRO A 33 -13.201 10.985 -0.239 1.00 74.55 H new ATOM 0 HD3 PRO A 33 -13.977 9.523 -0.815 1.00 74.55 H new ATOM 520 N GLN A 34 -10.853 12.163 -3.057 1.00 64.42 N ATOM 521 CA GLN A 34 -9.940 13.225 -3.506 1.00 63.45 C ATOM 522 C GLN A 34 -8.555 13.064 -2.860 1.00 33.22 C ATOM 523 O GLN A 34 -7.603 13.679 -3.331 1.00 70.04 O ATOM 524 CB GLN A 34 -10.523 14.639 -3.222 1.00 62.12 C ATOM 525 CG GLN A 34 -11.986 14.845 -3.666 1.00 2.31 C ATOM 526 CD GLN A 34 -12.204 14.676 -5.165 1.00 5.34 C ATOM 527 OE1 GLN A 34 -12.151 15.637 -5.933 1.00 24.01 O ATOM 528 NE2 GLN A 34 -12.396 13.440 -5.599 1.00 10.14 N ATOM 0 H GLN A 34 -11.566 12.479 -2.400 1.00 64.42 H new ATOM 0 HA GLN A 34 -9.828 13.127 -4.586 1.00 63.45 H new ATOM 0 HB2 GLN A 34 -10.453 14.836 -2.152 1.00 62.12 H new ATOM 0 HB3 GLN A 34 -9.900 15.379 -3.723 1.00 62.12 H new ATOM 0 HG2 GLN A 34 -12.621 14.136 -3.134 1.00 2.31 H new ATOM 0 HG3 GLN A 34 -12.308 15.844 -3.372 1.00 2.31 H new ATOM 0 HE21 GLN A 34 -12.435 12.667 -4.935 1.00 10.14 H new ATOM 0 HE22 GLN A 34 -12.505 13.261 -6.597 1.00 10.14 H new ATOM 537 N ALA A 35 -8.447 12.227 -1.792 1.00 43.11 N ATOM 538 CA ALA A 35 -7.146 11.828 -1.204 1.00 64.15 C ATOM 539 C ALA A 35 -6.247 11.181 -2.260 1.00 2.31 C ATOM 540 O ALA A 35 -5.032 11.366 -2.226 1.00 25.31 O ATOM 541 CB ALA A 35 -7.323 10.867 -0.023 1.00 1.34 C ATOM 0 H ALA A 35 -9.253 11.816 -1.321 1.00 43.11 H new ATOM 0 HA ALA A 35 -6.673 12.738 -0.835 1.00 64.15 H new ATOM 0 HB1 ALA A 35 -6.345 10.600 0.378 1.00 1.34 H new ATOM 0 HB2 ALA A 35 -7.914 11.351 0.754 1.00 1.34 H new ATOM 0 HB3 ALA A 35 -7.835 9.966 -0.361 1.00 1.34 H new ATOM 547 N MET A 36 -6.871 10.451 -3.213 1.00 34.23 N ATOM 548 CA MET A 36 -6.167 9.855 -4.362 1.00 11.43 C ATOM 549 C MET A 36 -5.501 10.963 -5.212 1.00 71.31 C ATOM 550 O MET A 36 -4.360 10.821 -5.650 1.00 14.21 O ATOM 551 CB MET A 36 -7.183 9.045 -5.206 1.00 30.01 C ATOM 552 CG MET A 36 -6.680 8.530 -6.561 1.00 20.10 C ATOM 553 SD MET A 36 -7.991 7.744 -7.521 1.00 23.33 S ATOM 554 CE MET A 36 -9.218 9.049 -7.624 1.00 71.43 C ATOM 0 H MET A 36 -7.873 10.262 -3.204 1.00 34.23 H new ATOM 0 HA MET A 36 -5.381 9.187 -4.011 1.00 11.43 H new ATOM 0 HB2 MET A 36 -7.514 8.190 -4.616 1.00 30.01 H new ATOM 0 HB3 MET A 36 -8.059 9.670 -5.381 1.00 30.01 H new ATOM 0 HG2 MET A 36 -6.262 9.360 -7.131 1.00 20.10 H new ATOM 0 HG3 MET A 36 -5.872 7.816 -6.399 1.00 20.10 H new ATOM 0 HE1 MET A 36 -9.872 8.867 -8.477 1.00 71.43 H new ATOM 0 HE2 MET A 36 -9.810 9.065 -6.709 1.00 71.43 H new ATOM 0 HE3 MET A 36 -8.718 10.009 -7.749 1.00 71.43 H new ATOM 564 N LYS A 37 -6.236 12.080 -5.386 1.00 2.01 N ATOM 565 CA LYS A 37 -5.771 13.274 -6.126 1.00 3.40 C ATOM 566 C LYS A 37 -4.710 14.053 -5.316 1.00 21.21 C ATOM 567 O LYS A 37 -3.778 14.633 -5.885 1.00 63.53 O ATOM 568 CB LYS A 37 -6.976 14.196 -6.437 1.00 13.34 C ATOM 569 CG LYS A 37 -8.113 13.514 -7.220 1.00 12.22 C ATOM 570 CD LYS A 37 -9.274 14.489 -7.525 1.00 11.24 C ATOM 571 CE LYS A 37 -10.395 13.854 -8.357 1.00 42.24 C ATOM 572 NZ LYS A 37 -11.489 14.822 -8.656 1.00 64.11 N ATOM 0 H LYS A 37 -7.180 12.181 -5.013 1.00 2.01 H new ATOM 0 HA LYS A 37 -5.312 12.943 -7.058 1.00 3.40 H new ATOM 0 HB2 LYS A 37 -7.377 14.579 -5.498 1.00 13.34 H new ATOM 0 HB3 LYS A 37 -6.623 15.055 -7.007 1.00 13.34 H new ATOM 0 HG2 LYS A 37 -7.720 13.115 -8.155 1.00 12.22 H new ATOM 0 HG3 LYS A 37 -8.492 12.668 -6.646 1.00 12.22 H new ATOM 0 HD2 LYS A 37 -9.690 14.854 -6.586 1.00 11.24 H new ATOM 0 HD3 LYS A 37 -8.882 15.355 -8.057 1.00 11.24 H new ATOM 0 HE2 LYS A 37 -9.982 13.475 -9.292 1.00 42.24 H new ATOM 0 HE3 LYS A 37 -10.805 12.999 -7.819 1.00 42.24 H new ATOM 0 HZ1 LYS A 37 -12.256 14.334 -9.161 1.00 64.11 H new ATOM 0 HZ2 LYS A 37 -11.856 15.216 -7.767 1.00 64.11 H new ATOM 0 HZ3 LYS A 37 -11.119 15.592 -9.249 1.00 64.11 H new ATOM 586 N HIS A 38 -4.874 14.039 -3.979 1.00 1.20 N ATOM 587 CA HIS A 38 -3.926 14.664 -3.027 1.00 3.04 C ATOM 588 C HIS A 38 -2.620 13.847 -2.932 1.00 70.15 C ATOM 589 O HIS A 38 -1.586 14.354 -2.486 1.00 10.14 O ATOM 590 CB HIS A 38 -4.566 14.846 -1.623 1.00 62.42 C ATOM 591 CG HIS A 38 -5.748 15.790 -1.588 1.00 44.21 C ATOM 592 ND1 HIS A 38 -5.701 17.088 -2.050 1.00 4.15 N ATOM 593 CD2 HIS A 38 -7.019 15.612 -1.148 1.00 4.01 C ATOM 594 CE1 HIS A 38 -6.886 17.653 -1.892 1.00 64.40 C ATOM 595 NE2 HIS A 38 -7.694 16.777 -1.350 1.00 12.25 N ATOM 0 H HIS A 38 -5.670 13.593 -3.524 1.00 1.20 H new ATOM 0 HA HIS A 38 -3.682 15.655 -3.410 1.00 3.04 H new ATOM 0 HB2 HIS A 38 -4.885 13.871 -1.254 1.00 62.42 H new ATOM 0 HB3 HIS A 38 -3.804 15.213 -0.935 1.00 62.42 H new ATOM 0 HD1 HIS A 38 -4.880 17.542 -2.451 1.00 4.15 H new ATOM 0 HD2 HIS A 38 -7.423 14.709 -0.715 1.00 4.01 H new ATOM 0 HE1 HIS A 38 -7.144 18.666 -2.164 1.00 64.40 H new ATOM 604 N TYR A 39 -2.697 12.567 -3.318 1.00 64.12 N ATOM 605 CA TYR A 39 -1.520 11.717 -3.514 1.00 25.43 C ATOM 606 C TYR A 39 -0.933 11.927 -4.912 1.00 11.32 C ATOM 607 O TYR A 39 0.275 11.867 -5.069 1.00 14.35 O ATOM 608 CB TYR A 39 -1.868 10.227 -3.307 1.00 52.14 C ATOM 609 CG TYR A 39 -2.050 9.803 -1.847 1.00 65.04 C ATOM 610 CD1 TYR A 39 -1.091 10.138 -0.891 1.00 54.43 C ATOM 611 CD2 TYR A 39 -3.159 9.060 -1.430 1.00 43.12 C ATOM 612 CE1 TYR A 39 -1.233 9.751 0.418 1.00 34.33 C ATOM 613 CE2 TYR A 39 -3.298 8.670 -0.116 1.00 20.24 C ATOM 614 CZ TYR A 39 -2.337 9.015 0.801 1.00 21.01 C ATOM 615 OH TYR A 39 -2.470 8.608 2.104 1.00 54.05 O ATOM 0 H TYR A 39 -3.581 12.092 -3.503 1.00 64.12 H new ATOM 0 HA TYR A 39 -0.776 12.002 -2.770 1.00 25.43 H new ATOM 0 HB2 TYR A 39 -2.786 10.004 -3.852 1.00 52.14 H new ATOM 0 HB3 TYR A 39 -1.079 9.620 -3.751 1.00 52.14 H new ATOM 0 HD1 TYR A 39 -0.224 10.710 -1.185 1.00 54.43 H new ATOM 0 HD2 TYR A 39 -3.918 8.788 -2.149 1.00 43.12 H new ATOM 0 HE1 TYR A 39 -0.483 10.021 1.147 1.00 34.33 H new ATOM 0 HE2 TYR A 39 -4.159 8.095 0.191 1.00 20.24 H new ATOM 0 HH TYR A 39 -1.620 8.734 2.575 1.00 54.05 H new ATOM 625 N THR A 40 -1.791 12.163 -5.922 1.00 40.40 N ATOM 626 CA THR A 40 -1.344 12.355 -7.317 1.00 41.24 C ATOM 627 C THR A 40 -0.428 13.595 -7.445 1.00 52.54 C ATOM 628 O THR A 40 0.608 13.527 -8.111 1.00 41.03 O ATOM 629 CB THR A 40 -2.557 12.461 -8.292 1.00 32.41 C ATOM 630 OG1 THR A 40 -3.327 11.249 -8.232 1.00 20.23 O ATOM 631 CG2 THR A 40 -2.121 12.716 -9.746 1.00 61.02 C ATOM 0 H THR A 40 -2.802 12.226 -5.798 1.00 40.40 H new ATOM 0 HA THR A 40 -0.764 11.476 -7.598 1.00 41.24 H new ATOM 0 HB THR A 40 -3.157 13.313 -7.974 1.00 32.41 H new ATOM 0 HG1 THR A 40 -3.685 11.133 -7.327 1.00 20.23 H new ATOM 0 HG21 THR A 40 -3.002 12.782 -10.384 1.00 61.02 H new ATOM 0 HG22 THR A 40 -1.564 13.651 -9.800 1.00 61.02 H new ATOM 0 HG23 THR A 40 -1.488 11.896 -10.085 1.00 61.02 H new ATOM 639 N GLU A 41 -0.801 14.703 -6.761 1.00 72.44 N ATOM 640 CA GLU A 41 0.026 15.929 -6.705 1.00 32.32 C ATOM 641 C GLU A 41 1.379 15.644 -6.001 1.00 3.25 C ATOM 642 O GLU A 41 2.405 16.243 -6.343 1.00 21.13 O ATOM 643 CB GLU A 41 -0.732 17.083 -5.991 1.00 43.21 C ATOM 644 CG GLU A 41 -1.087 16.804 -4.516 1.00 63.21 C ATOM 645 CD GLU A 41 -1.709 18.000 -3.771 1.00 44.44 C ATOM 646 OE1 GLU A 41 -1.086 19.085 -3.749 1.00 62.04 O ATOM 647 OE2 GLU A 41 -2.810 17.863 -3.179 1.00 70.14 O ATOM 0 H GLU A 41 -1.674 14.771 -6.238 1.00 72.44 H new ATOM 0 HA GLU A 41 0.230 16.244 -7.728 1.00 32.32 H new ATOM 0 HB2 GLU A 41 -0.122 17.985 -6.040 1.00 43.21 H new ATOM 0 HB3 GLU A 41 -1.651 17.290 -6.539 1.00 43.21 H new ATOM 0 HG2 GLU A 41 -1.782 15.966 -4.475 1.00 63.21 H new ATOM 0 HG3 GLU A 41 -0.184 16.495 -3.990 1.00 63.21 H new ATOM 654 N ALA A 42 1.355 14.703 -5.035 1.00 32.24 N ATOM 655 CA ALA A 42 2.554 14.248 -4.324 1.00 71.22 C ATOM 656 C ALA A 42 3.449 13.402 -5.246 1.00 61.11 C ATOM 657 O ALA A 42 4.664 13.523 -5.200 1.00 12.14 O ATOM 658 CB ALA A 42 2.167 13.479 -3.053 1.00 33.41 C ATOM 0 H ALA A 42 0.499 14.240 -4.730 1.00 32.24 H new ATOM 0 HA ALA A 42 3.130 15.122 -4.021 1.00 71.22 H new ATOM 0 HB1 ALA A 42 3.069 13.149 -2.538 1.00 33.41 H new ATOM 0 HB2 ALA A 42 1.591 14.130 -2.395 1.00 33.41 H new ATOM 0 HB3 ALA A 42 1.565 12.611 -3.322 1.00 33.41 H new ATOM 664 N ILE A 43 2.816 12.585 -6.113 1.00 15.30 N ATOM 665 CA ILE A 43 3.492 11.776 -7.148 1.00 15.14 C ATOM 666 C ILE A 43 4.135 12.705 -8.211 1.00 20.44 C ATOM 667 O ILE A 43 5.162 12.368 -8.800 1.00 30.23 O ATOM 668 CB ILE A 43 2.474 10.724 -7.809 1.00 25.11 C ATOM 669 CG1 ILE A 43 2.475 9.357 -7.045 1.00 14.25 C ATOM 670 CG2 ILE A 43 2.714 10.483 -9.321 1.00 54.51 C ATOM 671 CD1 ILE A 43 1.955 9.386 -5.627 1.00 1.12 C ATOM 0 H ILE A 43 1.803 12.467 -6.113 1.00 15.30 H new ATOM 0 HA ILE A 43 4.289 11.197 -6.681 1.00 15.14 H new ATOM 0 HB ILE A 43 1.492 11.188 -7.714 1.00 25.11 H new ATOM 0 HG12 ILE A 43 1.877 8.645 -7.615 1.00 14.25 H new ATOM 0 HG13 ILE A 43 3.496 8.975 -7.028 1.00 14.25 H new ATOM 0 HG21 ILE A 43 1.988 9.761 -9.694 1.00 54.51 H new ATOM 0 HG22 ILE A 43 2.602 11.423 -9.862 1.00 54.51 H new ATOM 0 HG23 ILE A 43 3.721 10.095 -9.472 1.00 54.51 H new ATOM 0 HD11 ILE A 43 2.004 8.384 -5.201 1.00 1.12 H new ATOM 0 HD12 ILE A 43 2.564 10.065 -5.030 1.00 1.12 H new ATOM 0 HD13 ILE A 43 0.921 9.730 -5.626 1.00 1.12 H new ATOM 683 N LYS A 44 3.521 13.882 -8.438 1.00 11.34 N ATOM 684 CA LYS A 44 4.059 14.898 -9.366 1.00 34.32 C ATOM 685 C LYS A 44 5.323 15.572 -8.780 1.00 53.33 C ATOM 686 O LYS A 44 6.173 16.060 -9.532 1.00 43.14 O ATOM 687 CB LYS A 44 2.967 15.942 -9.735 1.00 15.14 C ATOM 688 CG LYS A 44 1.740 15.348 -10.478 1.00 22.04 C ATOM 689 CD LYS A 44 2.120 14.595 -11.780 1.00 24.25 C ATOM 690 CE LYS A 44 0.906 13.959 -12.490 1.00 1.23 C ATOM 691 NZ LYS A 44 -0.064 14.975 -12.987 1.00 2.03 N ATOM 0 H LYS A 44 2.647 14.155 -7.989 1.00 11.34 H new ATOM 0 HA LYS A 44 4.358 14.397 -10.287 1.00 34.32 H new ATOM 0 HB2 LYS A 44 2.623 16.429 -8.822 1.00 15.14 H new ATOM 0 HB3 LYS A 44 3.416 16.715 -10.359 1.00 15.14 H new ATOM 0 HG2 LYS A 44 1.215 14.664 -9.811 1.00 22.04 H new ATOM 0 HG3 LYS A 44 1.046 16.153 -10.721 1.00 22.04 H new ATOM 0 HD2 LYS A 44 2.610 15.288 -12.463 1.00 24.25 H new ATOM 0 HD3 LYS A 44 2.844 13.815 -11.543 1.00 24.25 H new ATOM 0 HE2 LYS A 44 1.255 13.355 -13.328 1.00 1.23 H new ATOM 0 HE3 LYS A 44 0.399 13.285 -11.800 1.00 1.23 H new ATOM 0 HZ1 LYS A 44 -0.851 14.496 -13.470 1.00 2.03 H new ATOM 0 HZ2 LYS A 44 -0.433 15.524 -12.185 1.00 2.03 H new ATOM 0 HZ3 LYS A 44 0.414 15.614 -13.654 1.00 2.03 H new ATOM 705 N ARG A 45 5.431 15.583 -7.436 1.00 2.34 N ATOM 706 CA ARG A 45 6.616 16.095 -6.710 1.00 31.11 C ATOM 707 C ARG A 45 7.702 15.008 -6.589 1.00 63.44 C ATOM 708 O ARG A 45 8.898 15.303 -6.684 1.00 11.01 O ATOM 709 CB ARG A 45 6.194 16.592 -5.303 1.00 52.51 C ATOM 710 CG ARG A 45 5.176 17.753 -5.316 1.00 22.23 C ATOM 711 CD ARG A 45 5.774 19.092 -5.755 1.00 3.53 C ATOM 712 NE ARG A 45 4.734 20.133 -5.808 1.00 24.43 N ATOM 713 CZ ARG A 45 4.925 21.416 -6.142 1.00 24.32 C ATOM 714 NH1 ARG A 45 6.133 21.876 -6.463 1.00 23.44 N ATOM 715 NH2 ARG A 45 3.887 22.242 -6.132 1.00 40.01 N ATOM 0 H ARG A 45 4.697 15.236 -6.819 1.00 2.34 H new ATOM 0 HA ARG A 45 7.035 16.928 -7.275 1.00 31.11 H new ATOM 0 HB2 ARG A 45 5.767 15.756 -4.749 1.00 52.51 H new ATOM 0 HB3 ARG A 45 7.084 16.912 -4.762 1.00 52.51 H new ATOM 0 HG2 ARG A 45 4.354 17.496 -5.984 1.00 22.23 H new ATOM 0 HG3 ARG A 45 4.753 17.864 -4.318 1.00 22.23 H new ATOM 0 HD2 ARG A 45 6.559 19.390 -5.061 1.00 3.53 H new ATOM 0 HD3 ARG A 45 6.239 18.985 -6.735 1.00 3.53 H new ATOM 0 HE ARG A 45 3.783 19.852 -5.569 1.00 24.43 H new ATOM 0 HH11 ARG A 45 6.936 21.247 -6.458 1.00 23.44 H new ATOM 0 HH12 ARG A 45 6.255 22.857 -6.714 1.00 23.44 H new ATOM 0 HH21 ARG A 45 2.963 21.897 -5.873 1.00 40.01 H new ATOM 0 HH22 ARG A 45 4.013 23.222 -6.383 1.00 40.01 H new ATOM 729 N ASN A 46 7.271 13.749 -6.375 1.00 51.22 N ATOM 730 CA ASN A 46 8.183 12.589 -6.237 1.00 10.43 C ATOM 731 C ASN A 46 7.609 11.330 -6.948 1.00 42.14 C ATOM 732 O ASN A 46 6.994 10.465 -6.318 1.00 4.04 O ATOM 733 CB ASN A 46 8.580 12.325 -4.732 1.00 0.10 C ATOM 734 CG ASN A 46 7.452 12.358 -3.667 1.00 12.05 C ATOM 735 OD1 ASN A 46 7.662 12.852 -2.562 1.00 21.15 O ATOM 736 ND2 ASN A 46 6.291 11.785 -3.934 1.00 40.30 N ATOM 0 H ASN A 46 6.284 13.505 -6.293 1.00 51.22 H new ATOM 0 HA ASN A 46 9.113 12.835 -6.749 1.00 10.43 H new ATOM 0 HB2 ASN A 46 9.061 11.348 -4.679 1.00 0.10 H new ATOM 0 HB3 ASN A 46 9.329 13.065 -4.449 1.00 0.10 H new ATOM 0 HD21 ASN A 46 5.563 11.751 -3.220 1.00 40.30 H new ATOM 0 HD22 ASN A 46 6.123 11.377 -4.854 1.00 40.30 H new ATOM 743 N PRO A 47 7.805 11.205 -8.307 1.00 40.03 N ATOM 744 CA PRO A 47 7.422 9.976 -9.062 1.00 42.33 C ATOM 745 C PRO A 47 8.374 8.799 -8.756 1.00 40.34 C ATOM 746 O PRO A 47 8.095 7.652 -9.094 1.00 31.42 O ATOM 747 CB PRO A 47 7.536 10.430 -10.542 1.00 31.55 C ATOM 748 CG PRO A 47 8.594 11.498 -10.529 1.00 10.34 C ATOM 749 CD PRO A 47 8.410 12.236 -9.212 1.00 35.31 C ATOM 0 HA PRO A 47 6.431 9.605 -8.801 1.00 42.33 H new ATOM 0 HB2 PRO A 47 7.818 9.601 -11.191 1.00 31.55 H new ATOM 0 HB3 PRO A 47 6.587 10.817 -10.913 1.00 31.55 H new ATOM 0 HG2 PRO A 47 9.591 11.063 -10.599 1.00 10.34 H new ATOM 0 HG3 PRO A 47 8.480 12.174 -11.377 1.00 10.34 H new ATOM 0 HD2 PRO A 47 9.360 12.603 -8.823 1.00 35.31 H new ATOM 0 HD3 PRO A 47 7.757 13.101 -9.326 1.00 35.31 H new ATOM 757 N LYS A 48 9.510 9.139 -8.132 1.00 64.53 N ATOM 758 CA LYS A 48 10.546 8.198 -7.708 1.00 45.35 C ATOM 759 C LYS A 48 10.214 7.550 -6.353 1.00 31.14 C ATOM 760 O LYS A 48 10.899 6.606 -5.940 1.00 73.11 O ATOM 761 CB LYS A 48 11.887 8.966 -7.615 1.00 51.41 C ATOM 762 CG LYS A 48 12.251 9.773 -8.885 1.00 73.04 C ATOM 763 CD LYS A 48 12.443 8.896 -10.130 1.00 3.14 C ATOM 764 CE LYS A 48 13.567 7.861 -9.963 1.00 54.11 C ATOM 765 NZ LYS A 48 14.876 8.485 -9.637 1.00 20.12 N ATOM 0 H LYS A 48 9.737 10.107 -7.903 1.00 64.53 H new ATOM 0 HA LYS A 48 10.611 7.392 -8.439 1.00 45.35 H new ATOM 0 HB2 LYS A 48 11.843 9.648 -6.766 1.00 51.41 H new ATOM 0 HB3 LYS A 48 12.686 8.254 -7.410 1.00 51.41 H new ATOM 0 HG2 LYS A 48 11.465 10.502 -9.081 1.00 73.04 H new ATOM 0 HG3 LYS A 48 13.167 10.334 -8.700 1.00 73.04 H new ATOM 0 HD2 LYS A 48 11.509 8.379 -10.352 1.00 3.14 H new ATOM 0 HD3 LYS A 48 12.666 9.533 -10.986 1.00 3.14 H new ATOM 0 HE2 LYS A 48 13.296 7.160 -9.173 1.00 54.11 H new ATOM 0 HE3 LYS A 48 13.663 7.283 -10.882 1.00 54.11 H new ATOM 0 HZ1 LYS A 48 15.617 7.756 -9.635 1.00 20.12 H new ATOM 0 HZ2 LYS A 48 15.103 9.208 -10.349 1.00 20.12 H new ATOM 0 HZ3 LYS A 48 14.825 8.929 -8.698 1.00 20.12 H new ATOM 779 N ASP A 49 9.179 8.074 -5.664 1.00 53.11 N ATOM 780 CA ASP A 49 8.781 7.580 -4.342 1.00 60.01 C ATOM 781 C ASP A 49 7.883 6.346 -4.496 1.00 24.51 C ATOM 782 O ASP A 49 6.853 6.412 -5.160 1.00 30.41 O ATOM 783 CB ASP A 49 8.043 8.671 -3.528 1.00 64.22 C ATOM 784 CG ASP A 49 7.939 8.299 -2.041 1.00 70.32 C ATOM 785 OD1 ASP A 49 7.134 7.424 -1.687 1.00 71.44 O ATOM 786 OD2 ASP A 49 8.698 8.848 -1.221 1.00 31.21 O ATOM 0 H ASP A 49 8.605 8.843 -6.009 1.00 53.11 H new ATOM 0 HA ASP A 49 9.685 7.309 -3.797 1.00 60.01 H new ATOM 0 HB2 ASP A 49 8.570 9.620 -3.630 1.00 64.22 H new ATOM 0 HB3 ASP A 49 7.043 8.816 -3.937 1.00 64.22 H new ATOM 791 N ALA A 50 8.277 5.246 -3.844 1.00 11.40 N ATOM 792 CA ALA A 50 7.586 3.959 -3.945 1.00 52.43 C ATOM 793 C ALA A 50 6.292 3.914 -3.117 1.00 14.42 C ATOM 794 O ALA A 50 5.200 3.752 -3.676 1.00 61.10 O ATOM 795 CB ALA A 50 8.524 2.832 -3.519 1.00 32.31 C ATOM 0 H ALA A 50 9.090 5.226 -3.228 1.00 11.40 H new ATOM 0 HA ALA A 50 7.299 3.828 -4.988 1.00 52.43 H new ATOM 0 HB1 ALA A 50 8.004 1.877 -3.596 1.00 32.31 H new ATOM 0 HB2 ALA A 50 9.399 2.822 -4.168 1.00 32.31 H new ATOM 0 HB3 ALA A 50 8.839 2.991 -2.488 1.00 32.31 H new ATOM 801 N LYS A 51 6.418 4.075 -1.776 1.00 23.34 N ATOM 802 CA LYS A 51 5.299 3.808 -0.840 1.00 33.12 C ATOM 803 C LYS A 51 4.142 4.813 -1.022 1.00 74.41 C ATOM 804 O LYS A 51 3.055 4.575 -0.539 1.00 22.31 O ATOM 805 CB LYS A 51 5.756 3.674 0.659 1.00 15.34 C ATOM 806 CG LYS A 51 5.690 4.939 1.559 1.00 63.01 C ATOM 807 CD LYS A 51 6.679 6.049 1.164 1.00 63.31 C ATOM 808 CE LYS A 51 8.145 5.596 1.199 1.00 15.45 C ATOM 809 NZ LYS A 51 9.048 6.666 0.707 1.00 0.33 N ATOM 0 H LYS A 51 7.277 4.386 -1.322 1.00 23.34 H new ATOM 0 HA LYS A 51 4.910 2.826 -1.109 1.00 33.12 H new ATOM 0 HB2 LYS A 51 5.146 2.900 1.126 1.00 15.34 H new ATOM 0 HB3 LYS A 51 6.785 3.315 0.663 1.00 15.34 H new ATOM 0 HG2 LYS A 51 4.678 5.342 1.526 1.00 63.01 H new ATOM 0 HG3 LYS A 51 5.883 4.647 2.591 1.00 63.01 H new ATOM 0 HD2 LYS A 51 6.438 6.400 0.161 1.00 63.31 H new ATOM 0 HD3 LYS A 51 6.552 6.896 1.838 1.00 63.31 H new ATOM 0 HE2 LYS A 51 8.420 5.324 2.218 1.00 15.45 H new ATOM 0 HE3 LYS A 51 8.267 4.703 0.586 1.00 15.45 H new ATOM 0 HZ1 LYS A 51 9.609 6.307 -0.092 1.00 0.33 H new ATOM 0 HZ2 LYS A 51 8.483 7.481 0.395 1.00 0.33 H new ATOM 0 HZ3 LYS A 51 9.687 6.961 1.473 1.00 0.33 H new ATOM 823 N LEU A 52 4.410 5.942 -1.693 1.00 33.13 N ATOM 824 CA LEU A 52 3.373 6.919 -2.080 1.00 24.22 C ATOM 825 C LEU A 52 2.310 6.301 -3.016 1.00 20.41 C ATOM 826 O LEU A 52 1.124 6.617 -2.892 1.00 54.32 O ATOM 827 CB LEU A 52 4.035 8.194 -2.707 1.00 24.42 C ATOM 828 CG LEU A 52 3.973 9.473 -1.817 1.00 70.14 C ATOM 829 CD1 LEU A 52 2.530 10.033 -1.728 1.00 64.15 C ATOM 830 CD2 LEU A 52 4.540 9.177 -0.408 1.00 1.33 C ATOM 0 H LEU A 52 5.351 6.207 -1.985 1.00 33.13 H new ATOM 0 HA LEU A 52 2.842 7.221 -1.177 1.00 24.22 H new ATOM 0 HB2 LEU A 52 5.079 7.972 -2.926 1.00 24.42 H new ATOM 0 HB3 LEU A 52 3.548 8.408 -3.658 1.00 24.42 H new ATOM 0 HG LEU A 52 4.591 10.239 -2.285 1.00 70.14 H new ATOM 0 HD11 LEU A 52 2.524 10.924 -1.100 1.00 64.15 H new ATOM 0 HD12 LEU A 52 2.177 10.290 -2.727 1.00 64.15 H new ATOM 0 HD13 LEU A 52 1.873 9.279 -1.294 1.00 64.15 H new ATOM 0 HD21 LEU A 52 4.490 10.079 0.201 1.00 1.33 H new ATOM 0 HD22 LEU A 52 3.953 8.388 0.062 1.00 1.33 H new ATOM 0 HD23 LEU A 52 5.578 8.854 -0.494 1.00 1.33 H new ATOM 842 N TYR A 53 2.749 5.422 -3.940 1.00 22.51 N ATOM 843 CA TYR A 53 1.844 4.615 -4.791 1.00 74.11 C ATOM 844 C TYR A 53 1.109 3.558 -3.943 1.00 20.21 C ATOM 845 O TYR A 53 -0.035 3.211 -4.217 1.00 42.33 O ATOM 846 CB TYR A 53 2.625 3.925 -5.939 1.00 72.03 C ATOM 847 CG TYR A 53 3.207 4.905 -6.963 1.00 65.30 C ATOM 848 CD1 TYR A 53 2.419 5.422 -7.986 1.00 20.41 C ATOM 849 CD2 TYR A 53 4.533 5.328 -6.897 1.00 4.22 C ATOM 850 CE1 TYR A 53 2.931 6.321 -8.900 1.00 35.11 C ATOM 851 CE2 TYR A 53 5.048 6.225 -7.812 1.00 61.23 C ATOM 852 CZ TYR A 53 4.249 6.718 -8.809 1.00 21.10 C ATOM 853 OH TYR A 53 4.768 7.621 -9.716 1.00 31.40 O ATOM 0 H TYR A 53 3.738 5.250 -4.119 1.00 22.51 H new ATOM 0 HA TYR A 53 1.110 5.289 -5.233 1.00 74.11 H new ATOM 0 HB2 TYR A 53 3.436 3.335 -5.512 1.00 72.03 H new ATOM 0 HB3 TYR A 53 1.961 3.229 -6.452 1.00 72.03 H new ATOM 0 HD1 TYR A 53 1.387 5.114 -8.067 1.00 20.41 H new ATOM 0 HD2 TYR A 53 5.171 4.946 -6.114 1.00 4.22 H new ATOM 0 HE1 TYR A 53 2.301 6.713 -9.685 1.00 35.11 H new ATOM 0 HE2 TYR A 53 6.079 6.537 -7.741 1.00 61.23 H new ATOM 0 HH TYR A 53 4.035 8.058 -10.199 1.00 31.40 H new ATOM 863 N SER A 54 1.796 3.065 -2.907 1.00 44.42 N ATOM 864 CA SER A 54 1.239 2.109 -1.934 1.00 3.43 C ATOM 865 C SER A 54 0.202 2.789 -1.001 1.00 73.01 C ATOM 866 O SER A 54 -0.703 2.135 -0.471 1.00 11.51 O ATOM 867 CB SER A 54 2.392 1.527 -1.110 1.00 31.13 C ATOM 868 OG SER A 54 3.437 1.045 -1.946 1.00 11.21 O ATOM 0 H SER A 54 2.765 3.319 -2.715 1.00 44.42 H new ATOM 0 HA SER A 54 0.720 1.315 -2.471 1.00 3.43 H new ATOM 0 HB2 SER A 54 2.784 2.292 -0.440 1.00 31.13 H new ATOM 0 HB3 SER A 54 2.021 0.715 -0.485 1.00 31.13 H new ATOM 0 HG SER A 54 3.135 0.239 -2.415 1.00 11.21 H new ATOM 874 N ASN A 55 0.373 4.109 -0.810 1.00 64.22 N ATOM 875 CA ASN A 55 -0.557 4.968 -0.055 1.00 51.35 C ATOM 876 C ASN A 55 -1.787 5.280 -0.917 1.00 33.40 C ATOM 877 O ASN A 55 -2.901 5.426 -0.397 1.00 23.52 O ATOM 878 CB ASN A 55 0.148 6.279 0.392 1.00 65.11 C ATOM 879 CG ASN A 55 1.136 6.101 1.551 1.00 44.14 C ATOM 880 OD1 ASN A 55 1.668 5.017 1.798 1.00 30.22 O ATOM 881 ND2 ASN A 55 1.393 7.179 2.260 1.00 2.44 N ATOM 0 H ASN A 55 1.175 4.618 -1.182 1.00 64.22 H new ATOM 0 HA ASN A 55 -0.879 4.439 0.842 1.00 51.35 H new ATOM 0 HB2 ASN A 55 0.679 6.701 -0.461 1.00 65.11 H new ATOM 0 HB3 ASN A 55 -0.611 7.004 0.685 1.00 65.11 H new ATOM 0 HD21 ASN A 55 2.049 7.132 3.040 1.00 2.44 H new ATOM 0 HD22 ASN A 55 0.936 8.062 2.030 1.00 2.44 H new ATOM 888 N ARG A 56 -1.569 5.381 -2.253 1.00 40.15 N ATOM 889 CA ARG A 56 -2.670 5.442 -3.224 1.00 15.33 C ATOM 890 C ARG A 56 -3.417 4.098 -3.221 1.00 2.42 C ATOM 891 O ARG A 56 -4.632 4.075 -3.308 1.00 4.43 O ATOM 892 CB ARG A 56 -2.191 5.760 -4.671 1.00 40.13 C ATOM 893 CG ARG A 56 -1.388 7.061 -4.846 1.00 22.40 C ATOM 894 CD ARG A 56 -1.342 7.557 -6.310 1.00 21.11 C ATOM 895 NE ARG A 56 -0.926 6.500 -7.246 1.00 52.11 N ATOM 896 CZ ARG A 56 -0.936 6.589 -8.586 1.00 33.14 C ATOM 897 NH1 ARG A 56 -1.318 7.702 -9.203 1.00 2.34 N ATOM 898 NH2 ARG A 56 -0.578 5.533 -9.300 1.00 44.52 N ATOM 0 H ARG A 56 -0.640 5.421 -2.673 1.00 40.15 H new ATOM 0 HA ARG A 56 -3.325 6.258 -2.918 1.00 15.33 H new ATOM 0 HB2 ARG A 56 -1.579 4.929 -5.020 1.00 40.13 H new ATOM 0 HB3 ARG A 56 -3.066 5.806 -5.320 1.00 40.13 H new ATOM 0 HG2 ARG A 56 -1.827 7.838 -4.220 1.00 22.40 H new ATOM 0 HG3 ARG A 56 -0.370 6.902 -4.491 1.00 22.40 H new ATOM 0 HD2 ARG A 56 -2.327 7.926 -6.597 1.00 21.11 H new ATOM 0 HD3 ARG A 56 -0.652 8.397 -6.385 1.00 21.11 H new ATOM 0 HE ARG A 56 -0.601 5.622 -6.841 1.00 52.11 H new ATOM 0 HH11 ARG A 56 -1.612 8.512 -8.658 1.00 2.34 H new ATOM 0 HH12 ARG A 56 -1.317 7.746 -10.222 1.00 2.34 H new ATOM 0 HH21 ARG A 56 -0.301 4.671 -8.831 1.00 44.52 H new ATOM 0 HH22 ARG A 56 -0.579 5.582 -10.319 1.00 44.52 H new ATOM 912 N ALA A 57 -2.656 2.986 -3.103 1.00 64.44 N ATOM 913 CA ALA A 57 -3.201 1.613 -3.044 1.00 31.03 C ATOM 914 C ALA A 57 -4.043 1.401 -1.773 1.00 74.32 C ATOM 915 O ALA A 57 -5.040 0.670 -1.796 1.00 64.24 O ATOM 916 CB ALA A 57 -2.058 0.588 -3.134 1.00 54.13 C ATOM 0 H ALA A 57 -1.638 3.018 -3.046 1.00 64.44 H new ATOM 0 HA ALA A 57 -3.864 1.467 -3.897 1.00 31.03 H new ATOM 0 HB1 ALA A 57 -2.469 -0.420 -3.090 1.00 54.13 H new ATOM 0 HB2 ALA A 57 -1.523 0.721 -4.075 1.00 54.13 H new ATOM 0 HB3 ALA A 57 -1.370 0.736 -2.302 1.00 54.13 H new ATOM 922 N ALA A 58 -3.635 2.079 -0.679 1.00 21.23 N ATOM 923 CA ALA A 58 -4.393 2.131 0.584 1.00 54.12 C ATOM 924 C ALA A 58 -5.769 2.792 0.380 1.00 72.10 C ATOM 925 O ALA A 58 -6.745 2.435 1.045 1.00 40.42 O ATOM 926 CB ALA A 58 -3.588 2.894 1.647 1.00 74.12 C ATOM 0 H ALA A 58 -2.764 2.609 -0.650 1.00 21.23 H new ATOM 0 HA ALA A 58 -4.559 1.109 0.925 1.00 54.12 H new ATOM 0 HB1 ALA A 58 -4.155 2.928 2.577 1.00 74.12 H new ATOM 0 HB2 ALA A 58 -2.639 2.386 1.819 1.00 74.12 H new ATOM 0 HB3 ALA A 58 -3.398 3.910 1.300 1.00 74.12 H new ATOM 932 N CYS A 59 -5.811 3.764 -0.545 1.00 1.24 N ATOM 933 CA CYS A 59 -7.045 4.443 -0.959 1.00 43.01 C ATOM 934 C CYS A 59 -7.863 3.555 -1.926 1.00 24.44 C ATOM 935 O CYS A 59 -9.064 3.367 -1.724 1.00 10.30 O ATOM 936 CB CYS A 59 -6.693 5.805 -1.611 1.00 40.23 C ATOM 937 SG CYS A 59 -8.114 6.791 -2.115 1.00 71.55 S ATOM 0 H CYS A 59 -4.980 4.103 -1.030 1.00 1.24 H new ATOM 0 HA CYS A 59 -7.665 4.625 -0.081 1.00 43.01 H new ATOM 0 HB2 CYS A 59 -6.097 6.386 -0.907 1.00 40.23 H new ATOM 0 HB3 CYS A 59 -6.067 5.623 -2.484 1.00 40.23 H new ATOM 0 HG CYS A 59 -8.291 7.761 -1.268 1.00 71.55 H new ATOM 943 N TYR A 60 -7.172 2.948 -2.921 1.00 33.23 N ATOM 944 CA TYR A 60 -7.812 2.196 -4.029 1.00 44.10 C ATOM 945 C TYR A 60 -8.621 1.005 -3.522 1.00 11.42 C ATOM 946 O TYR A 60 -9.691 0.732 -4.041 1.00 64.42 O ATOM 947 CB TYR A 60 -6.766 1.716 -5.069 1.00 50.43 C ATOM 948 CG TYR A 60 -6.094 2.842 -5.857 1.00 2.02 C ATOM 949 CD1 TYR A 60 -6.818 3.958 -6.279 1.00 34.41 C ATOM 950 CD2 TYR A 60 -4.739 2.792 -6.175 1.00 63.31 C ATOM 951 CE1 TYR A 60 -6.210 4.976 -6.973 1.00 53.34 C ATOM 952 CE2 TYR A 60 -4.137 3.810 -6.872 1.00 61.10 C ATOM 953 CZ TYR A 60 -4.870 4.900 -7.266 1.00 70.34 C ATOM 954 OH TYR A 60 -4.253 5.931 -7.940 1.00 32.22 O ATOM 0 H TYR A 60 -6.154 2.966 -2.978 1.00 33.23 H new ATOM 0 HA TYR A 60 -8.497 2.890 -4.515 1.00 44.10 H new ATOM 0 HB2 TYR A 60 -5.997 1.141 -4.553 1.00 50.43 H new ATOM 0 HB3 TYR A 60 -7.254 1.039 -5.771 1.00 50.43 H new ATOM 0 HD1 TYR A 60 -7.873 4.022 -6.057 1.00 34.41 H new ATOM 0 HD2 TYR A 60 -4.152 1.939 -5.868 1.00 63.31 H new ATOM 0 HE1 TYR A 60 -6.785 5.835 -7.288 1.00 53.34 H new ATOM 0 HE2 TYR A 60 -3.085 3.752 -7.110 1.00 61.10 H new ATOM 0 HH TYR A 60 -4.904 6.642 -8.117 1.00 32.22 H new ATOM 964 N THR A 61 -8.105 0.324 -2.496 1.00 62.12 N ATOM 965 CA THR A 61 -8.821 -0.764 -1.819 1.00 12.34 C ATOM 966 C THR A 61 -10.204 -0.280 -1.309 1.00 63.12 C ATOM 967 O THR A 61 -11.228 -0.941 -1.539 1.00 34.45 O ATOM 968 CB THR A 61 -7.966 -1.314 -0.637 1.00 11.14 C ATOM 969 OG1 THR A 61 -7.570 -0.223 0.213 1.00 73.02 O ATOM 970 CG2 THR A 61 -6.710 -2.063 -1.131 1.00 63.04 C ATOM 0 H THR A 61 -7.179 0.510 -2.110 1.00 62.12 H new ATOM 0 HA THR A 61 -8.987 -1.567 -2.537 1.00 12.34 H new ATOM 0 HB THR A 61 -8.580 -2.025 -0.084 1.00 11.14 H new ATOM 0 HG1 THR A 61 -6.795 0.232 -0.178 1.00 73.02 H new ATOM 0 HG21 THR A 61 -6.144 -2.429 -0.274 1.00 63.04 H new ATOM 0 HG22 THR A 61 -7.010 -2.905 -1.754 1.00 63.04 H new ATOM 0 HG23 THR A 61 -6.087 -1.384 -1.714 1.00 63.04 H new ATOM 978 N LYS A 62 -10.220 0.946 -0.729 1.00 24.02 N ATOM 979 CA LYS A 62 -11.435 1.562 -0.145 1.00 51.13 C ATOM 980 C LYS A 62 -12.430 1.898 -1.257 1.00 5.12 C ATOM 981 O LYS A 62 -13.641 1.764 -1.094 1.00 31.14 O ATOM 982 CB LYS A 62 -11.070 2.857 0.635 1.00 45.54 C ATOM 983 CG LYS A 62 -9.937 2.678 1.661 1.00 4.05 C ATOM 984 CD LYS A 62 -10.315 1.755 2.839 1.00 14.22 C ATOM 985 CE LYS A 62 -9.099 1.384 3.699 1.00 40.01 C ATOM 986 NZ LYS A 62 -8.106 0.588 2.925 1.00 24.21 N ATOM 0 H LYS A 62 -9.390 1.534 -0.654 1.00 24.02 H new ATOM 0 HA LYS A 62 -11.886 0.851 0.547 1.00 51.13 H new ATOM 0 HB2 LYS A 62 -10.780 3.628 -0.079 1.00 45.54 H new ATOM 0 HB3 LYS A 62 -11.959 3.219 1.152 1.00 45.54 H new ATOM 0 HG2 LYS A 62 -9.061 2.270 1.156 1.00 4.05 H new ATOM 0 HG3 LYS A 62 -9.653 3.655 2.052 1.00 4.05 H new ATOM 0 HD2 LYS A 62 -11.060 2.250 3.461 1.00 14.22 H new ATOM 0 HD3 LYS A 62 -10.775 0.846 2.453 1.00 14.22 H new ATOM 0 HE2 LYS A 62 -8.626 2.292 4.074 1.00 40.01 H new ATOM 0 HE3 LYS A 62 -9.427 0.813 4.568 1.00 40.01 H new ATOM 0 HZ1 LYS A 62 -7.923 -0.310 3.416 1.00 24.21 H new ATOM 0 HZ2 LYS A 62 -8.482 0.393 1.975 1.00 24.21 H new ATOM 0 HZ3 LYS A 62 -7.219 1.125 2.843 1.00 24.21 H new ATOM 1000 N LEU A 63 -11.872 2.309 -2.399 1.00 5.54 N ATOM 1001 CA LEU A 63 -12.628 2.696 -3.590 1.00 35.03 C ATOM 1002 C LEU A 63 -13.004 1.459 -4.445 1.00 54.05 C ATOM 1003 O LEU A 63 -13.642 1.620 -5.490 1.00 74.30 O ATOM 1004 CB LEU A 63 -11.776 3.708 -4.420 1.00 71.54 C ATOM 1005 CG LEU A 63 -11.293 4.987 -3.658 1.00 34.14 C ATOM 1006 CD1 LEU A 63 -10.463 5.910 -4.574 1.00 15.11 C ATOM 1007 CD2 LEU A 63 -12.474 5.744 -3.007 1.00 11.22 C ATOM 0 H LEU A 63 -10.862 2.383 -2.522 1.00 5.54 H new ATOM 0 HA LEU A 63 -13.562 3.168 -3.284 1.00 35.03 H new ATOM 0 HB2 LEU A 63 -10.900 3.185 -4.804 1.00 71.54 H new ATOM 0 HB3 LEU A 63 -12.362 4.023 -5.283 1.00 71.54 H new ATOM 0 HG LEU A 63 -10.639 4.656 -2.851 1.00 34.14 H new ATOM 0 HD11 LEU A 63 -10.144 6.788 -4.013 1.00 15.11 H new ATOM 0 HD12 LEU A 63 -9.587 5.372 -4.935 1.00 15.11 H new ATOM 0 HD13 LEU A 63 -11.071 6.223 -5.423 1.00 15.11 H new ATOM 0 HD21 LEU A 63 -12.099 6.626 -2.487 1.00 11.22 H new ATOM 0 HD22 LEU A 63 -13.180 6.051 -3.779 1.00 11.22 H new ATOM 0 HD23 LEU A 63 -12.977 5.090 -2.295 1.00 11.22 H new ATOM 1019 N LEU A 64 -12.583 0.232 -3.992 1.00 53.41 N ATOM 1020 CA LEU A 64 -12.799 -1.053 -4.720 1.00 64.14 C ATOM 1021 C LEU A 64 -11.966 -1.125 -6.032 1.00 71.02 C ATOM 1022 O LEU A 64 -12.129 -2.049 -6.834 1.00 4.24 O ATOM 1023 CB LEU A 64 -14.322 -1.353 -4.969 1.00 75.32 C ATOM 1024 CG LEU A 64 -15.185 -1.805 -3.733 1.00 73.32 C ATOM 1025 CD1 LEU A 64 -14.641 -3.101 -3.100 1.00 0.14 C ATOM 1026 CD2 LEU A 64 -15.330 -0.691 -2.673 1.00 72.21 C ATOM 0 H LEU A 64 -12.084 0.114 -3.110 1.00 53.41 H new ATOM 0 HA LEU A 64 -12.432 -1.845 -4.067 1.00 64.14 H new ATOM 0 HB2 LEU A 64 -14.778 -0.455 -5.387 1.00 75.32 H new ATOM 0 HB3 LEU A 64 -14.392 -2.130 -5.730 1.00 75.32 H new ATOM 0 HG LEU A 64 -16.183 -2.012 -4.118 1.00 73.32 H new ATOM 0 HD11 LEU A 64 -15.264 -3.380 -2.250 1.00 0.14 H new ATOM 0 HD12 LEU A 64 -14.657 -3.902 -3.840 1.00 0.14 H new ATOM 0 HD13 LEU A 64 -13.617 -2.939 -2.762 1.00 0.14 H new ATOM 0 HD21 LEU A 64 -15.934 -1.056 -1.842 1.00 72.21 H new ATOM 0 HD22 LEU A 64 -14.344 -0.407 -2.307 1.00 72.21 H new ATOM 0 HD23 LEU A 64 -15.815 0.176 -3.121 1.00 72.21 H new ATOM 1038 N GLU A 65 -11.039 -0.162 -6.187 1.00 55.44 N ATOM 1039 CA GLU A 65 -10.076 -0.057 -7.302 1.00 50.32 C ATOM 1040 C GLU A 65 -8.824 -0.939 -7.060 1.00 22.51 C ATOM 1041 O GLU A 65 -7.690 -0.509 -7.328 1.00 44.12 O ATOM 1042 CB GLU A 65 -9.693 1.464 -7.503 1.00 4.01 C ATOM 1043 CG GLU A 65 -10.345 2.149 -8.722 1.00 73.22 C ATOM 1044 CD GLU A 65 -11.875 2.032 -8.755 1.00 22.30 C ATOM 1045 OE1 GLU A 65 -12.555 2.804 -8.048 1.00 43.33 O ATOM 1046 OE2 GLU A 65 -12.402 1.170 -9.495 1.00 33.42 O ATOM 0 H GLU A 65 -10.935 0.596 -5.512 1.00 55.44 H new ATOM 0 HA GLU A 65 -10.539 -0.432 -8.215 1.00 50.32 H new ATOM 0 HB2 GLU A 65 -9.972 2.014 -6.605 1.00 4.01 H new ATOM 0 HB3 GLU A 65 -8.610 1.540 -7.600 1.00 4.01 H new ATOM 0 HG2 GLU A 65 -10.071 3.204 -8.724 1.00 73.22 H new ATOM 0 HG3 GLU A 65 -9.937 1.712 -9.633 1.00 73.22 H new ATOM 1053 N PHE A 66 -9.049 -2.200 -6.629 1.00 11.22 N ATOM 1054 CA PHE A 66 -7.976 -3.182 -6.356 1.00 50.04 C ATOM 1055 C PHE A 66 -7.078 -3.414 -7.596 1.00 75.54 C ATOM 1056 O PHE A 66 -5.889 -3.702 -7.445 1.00 11.51 O ATOM 1057 CB PHE A 66 -8.578 -4.534 -5.883 1.00 21.33 C ATOM 1058 CG PHE A 66 -9.212 -4.509 -4.485 1.00 33.53 C ATOM 1059 CD1 PHE A 66 -10.557 -4.186 -4.301 1.00 11.15 C ATOM 1060 CD2 PHE A 66 -8.459 -4.831 -3.354 1.00 74.43 C ATOM 1061 CE1 PHE A 66 -11.120 -4.183 -3.034 1.00 13.21 C ATOM 1062 CE2 PHE A 66 -9.025 -4.830 -2.092 1.00 52.44 C ATOM 1063 CZ PHE A 66 -10.356 -4.505 -1.932 1.00 2.45 C ATOM 0 H PHE A 66 -9.985 -2.567 -6.460 1.00 11.22 H new ATOM 0 HA PHE A 66 -7.355 -2.766 -5.562 1.00 50.04 H new ATOM 0 HB2 PHE A 66 -9.334 -4.849 -6.602 1.00 21.33 H new ATOM 0 HB3 PHE A 66 -7.792 -5.289 -5.895 1.00 21.33 H new ATOM 0 HD1 PHE A 66 -11.167 -3.935 -5.156 1.00 11.15 H new ATOM 0 HD2 PHE A 66 -7.415 -5.085 -3.467 1.00 74.43 H new ATOM 0 HE1 PHE A 66 -12.162 -3.927 -2.909 1.00 13.21 H new ATOM 0 HE2 PHE A 66 -8.424 -5.084 -1.231 1.00 52.44 H new ATOM 0 HZ PHE A 66 -10.798 -4.503 -0.947 1.00 2.45 H new ATOM 1073 N GLN A 67 -7.661 -3.245 -8.808 1.00 61.23 N ATOM 1074 CA GLN A 67 -6.925 -3.347 -10.085 1.00 61.00 C ATOM 1075 C GLN A 67 -5.784 -2.325 -10.150 1.00 24.03 C ATOM 1076 O GLN A 67 -4.699 -2.623 -10.659 1.00 30.41 O ATOM 1077 CB GLN A 67 -7.877 -3.121 -11.288 1.00 73.23 C ATOM 1078 CG GLN A 67 -9.027 -4.137 -11.412 1.00 53.41 C ATOM 1079 CD GLN A 67 -8.545 -5.588 -11.506 1.00 60.42 C ATOM 1080 OE1 GLN A 67 -8.273 -6.098 -12.593 1.00 11.15 O ATOM 1081 NE2 GLN A 67 -8.440 -6.261 -10.371 1.00 15.13 N ATOM 0 H GLN A 67 -8.652 -3.035 -8.924 1.00 61.23 H new ATOM 0 HA GLN A 67 -6.506 -4.352 -10.138 1.00 61.00 H new ATOM 0 HB2 GLN A 67 -8.304 -2.121 -11.211 1.00 73.23 H new ATOM 0 HB3 GLN A 67 -7.290 -3.147 -12.206 1.00 73.23 H new ATOM 0 HG2 GLN A 67 -9.687 -4.036 -10.550 1.00 53.41 H new ATOM 0 HG3 GLN A 67 -9.619 -3.900 -12.296 1.00 53.41 H new ATOM 0 HE21 GLN A 67 -8.673 -5.809 -9.487 1.00 15.13 H new ATOM 0 HE22 GLN A 67 -8.126 -7.231 -10.381 1.00 15.13 H new ATOM 1090 N LEU A 68 -6.042 -1.112 -9.624 1.00 34.41 N ATOM 1091 CA LEU A 68 -5.040 -0.046 -9.597 1.00 40.12 C ATOM 1092 C LEU A 68 -4.020 -0.338 -8.488 1.00 54.53 C ATOM 1093 O LEU A 68 -2.827 -0.238 -8.716 1.00 44.10 O ATOM 1094 CB LEU A 68 -5.695 1.348 -9.408 1.00 2.32 C ATOM 1095 CG LEU A 68 -6.825 1.740 -10.419 1.00 54.10 C ATOM 1096 CD1 LEU A 68 -7.168 3.235 -10.303 1.00 32.33 C ATOM 1097 CD2 LEU A 68 -6.479 1.352 -11.874 1.00 21.10 C ATOM 0 H LEU A 68 -6.939 -0.853 -9.213 1.00 34.41 H new ATOM 0 HA LEU A 68 -4.526 -0.022 -10.558 1.00 40.12 H new ATOM 0 HB2 LEU A 68 -6.109 1.395 -8.401 1.00 2.32 H new ATOM 0 HB3 LEU A 68 -4.911 2.103 -9.466 1.00 2.32 H new ATOM 0 HG LEU A 68 -7.710 1.164 -10.149 1.00 54.10 H new ATOM 0 HD11 LEU A 68 -7.955 3.484 -11.015 1.00 32.33 H new ATOM 0 HD12 LEU A 68 -7.511 3.452 -9.292 1.00 32.33 H new ATOM 0 HD13 LEU A 68 -6.281 3.830 -10.520 1.00 32.33 H new ATOM 0 HD21 LEU A 68 -7.296 1.646 -12.533 1.00 21.10 H new ATOM 0 HD22 LEU A 68 -5.565 1.862 -12.179 1.00 21.10 H new ATOM 0 HD23 LEU A 68 -6.332 0.274 -11.938 1.00 21.10 H new ATOM 1109 N ALA A 69 -4.528 -0.792 -7.321 1.00 1.14 N ATOM 1110 CA ALA A 69 -3.704 -1.139 -6.141 1.00 62.21 C ATOM 1111 C ALA A 69 -2.627 -2.203 -6.477 1.00 23.14 C ATOM 1112 O ALA A 69 -1.520 -2.174 -5.923 1.00 63.41 O ATOM 1113 CB ALA A 69 -4.612 -1.620 -4.993 1.00 31.33 C ATOM 0 H ALA A 69 -5.527 -0.929 -7.170 1.00 1.14 H new ATOM 0 HA ALA A 69 -3.173 -0.241 -5.825 1.00 62.21 H new ATOM 0 HB1 ALA A 69 -4.000 -1.874 -4.127 1.00 31.33 H new ATOM 0 HB2 ALA A 69 -5.310 -0.827 -4.724 1.00 31.33 H new ATOM 0 HB3 ALA A 69 -5.169 -2.500 -5.314 1.00 31.33 H new ATOM 1119 N LEU A 70 -2.977 -3.127 -7.401 1.00 21.22 N ATOM 1120 CA LEU A 70 -2.037 -4.128 -7.949 1.00 32.22 C ATOM 1121 C LEU A 70 -0.908 -3.452 -8.767 1.00 13.22 C ATOM 1122 O LEU A 70 0.271 -3.561 -8.418 1.00 62.54 O ATOM 1123 CB LEU A 70 -2.807 -5.158 -8.828 1.00 52.33 C ATOM 1124 CG LEU A 70 -3.846 -6.056 -8.086 1.00 30.31 C ATOM 1125 CD1 LEU A 70 -4.635 -6.948 -9.072 1.00 53.34 C ATOM 1126 CD2 LEU A 70 -3.175 -6.904 -6.979 1.00 4.21 C ATOM 0 H LEU A 70 -3.919 -3.198 -7.786 1.00 21.22 H new ATOM 0 HA LEU A 70 -1.572 -4.651 -7.114 1.00 32.22 H new ATOM 0 HB2 LEU A 70 -3.326 -4.615 -9.618 1.00 52.33 H new ATOM 0 HB3 LEU A 70 -2.078 -5.807 -9.314 1.00 52.33 H new ATOM 0 HG LEU A 70 -4.561 -5.389 -7.603 1.00 30.31 H new ATOM 0 HD11 LEU A 70 -5.349 -7.559 -8.519 1.00 53.34 H new ATOM 0 HD12 LEU A 70 -5.170 -6.319 -9.783 1.00 53.34 H new ATOM 0 HD13 LEU A 70 -3.943 -7.596 -9.610 1.00 53.34 H new ATOM 0 HD21 LEU A 70 -3.928 -7.517 -6.483 1.00 4.21 H new ATOM 0 HD22 LEU A 70 -2.417 -7.549 -7.424 1.00 4.21 H new ATOM 0 HD23 LEU A 70 -2.706 -6.244 -6.249 1.00 4.21 H new ATOM 1138 N LYS A 71 -1.277 -2.727 -9.838 1.00 44.01 N ATOM 1139 CA LYS A 71 -0.283 -2.098 -10.751 1.00 30.32 C ATOM 1140 C LYS A 71 0.530 -0.969 -10.065 1.00 33.00 C ATOM 1141 O LYS A 71 1.608 -0.608 -10.548 1.00 44.22 O ATOM 1142 CB LYS A 71 -0.956 -1.612 -12.067 1.00 44.24 C ATOM 1143 CG LYS A 71 -2.164 -0.661 -11.886 1.00 71.31 C ATOM 1144 CD LYS A 71 -2.745 -0.143 -13.225 1.00 3.43 C ATOM 1145 CE LYS A 71 -3.232 -1.269 -14.156 1.00 53.31 C ATOM 1146 NZ LYS A 71 -4.303 -2.094 -13.528 1.00 13.40 N ATOM 0 H LYS A 71 -2.249 -2.558 -10.099 1.00 44.01 H new ATOM 0 HA LYS A 71 0.438 -2.872 -11.014 1.00 30.32 H new ATOM 0 HB2 LYS A 71 -0.205 -1.106 -12.673 1.00 44.24 H new ATOM 0 HB3 LYS A 71 -1.285 -2.485 -12.631 1.00 44.24 H new ATOM 0 HG2 LYS A 71 -2.948 -1.182 -11.336 1.00 71.31 H new ATOM 0 HG3 LYS A 71 -1.859 0.190 -11.277 1.00 71.31 H new ATOM 0 HD2 LYS A 71 -3.576 0.530 -13.016 1.00 3.43 H new ATOM 0 HD3 LYS A 71 -1.983 0.441 -13.741 1.00 3.43 H new ATOM 0 HE2 LYS A 71 -3.606 -0.835 -15.083 1.00 53.31 H new ATOM 0 HE3 LYS A 71 -2.390 -1.909 -14.420 1.00 53.31 H new ATOM 0 HZ1 LYS A 71 -4.565 -2.870 -14.169 1.00 13.40 H new ATOM 0 HZ2 LYS A 71 -3.956 -2.489 -12.631 1.00 13.40 H new ATOM 0 HZ3 LYS A 71 -5.137 -1.500 -13.345 1.00 13.40 H new ATOM 1160 N ASP A 72 0.009 -0.442 -8.936 1.00 44.41 N ATOM 1161 CA ASP A 72 0.734 0.500 -8.056 1.00 60.15 C ATOM 1162 C ASP A 72 1.886 -0.213 -7.340 1.00 31.23 C ATOM 1163 O ASP A 72 3.016 0.283 -7.354 1.00 65.31 O ATOM 1164 CB ASP A 72 -0.225 1.165 -7.016 1.00 73.02 C ATOM 1165 CG ASP A 72 -0.913 2.429 -7.556 1.00 14.55 C ATOM 1166 OD1 ASP A 72 -1.785 2.314 -8.433 1.00 54.51 O ATOM 1167 OD2 ASP A 72 -0.564 3.553 -7.130 1.00 42.34 O ATOM 0 H ASP A 72 -0.932 -0.659 -8.608 1.00 44.41 H new ATOM 0 HA ASP A 72 1.145 1.291 -8.684 1.00 60.15 H new ATOM 0 HB2 ASP A 72 -0.985 0.443 -6.718 1.00 73.02 H new ATOM 0 HB3 ASP A 72 0.341 1.420 -6.120 1.00 73.02 H new ATOM 1172 N CYS A 73 1.601 -1.381 -6.721 1.00 33.43 N ATOM 1173 CA CYS A 73 2.637 -2.167 -6.019 1.00 50.53 C ATOM 1174 C CYS A 73 3.670 -2.732 -7.020 1.00 65.24 C ATOM 1175 O CYS A 73 4.857 -2.863 -6.687 1.00 73.31 O ATOM 1176 CB CYS A 73 2.020 -3.291 -5.154 1.00 33.04 C ATOM 1177 SG CYS A 73 1.142 -4.571 -6.071 1.00 51.12 S ATOM 0 H CYS A 73 0.670 -1.796 -6.694 1.00 33.43 H new ATOM 0 HA CYS A 73 3.157 -1.492 -5.340 1.00 50.53 H new ATOM 0 HB2 CYS A 73 2.816 -3.761 -4.576 1.00 33.04 H new ATOM 0 HB3 CYS A 73 1.331 -2.841 -4.439 1.00 33.04 H new ATOM 0 HG CYS A 73 0.870 -4.139 -7.266 1.00 51.12 H new ATOM 1183 N GLU A 74 3.212 -3.019 -8.259 1.00 35.32 N ATOM 1184 CA GLU A 74 4.079 -3.555 -9.330 1.00 4.50 C ATOM 1185 C GLU A 74 5.057 -2.510 -9.899 1.00 63.42 C ATOM 1186 O GLU A 74 6.130 -2.877 -10.387 1.00 64.04 O ATOM 1187 CB GLU A 74 3.229 -4.165 -10.474 1.00 5.41 C ATOM 1188 CG GLU A 74 2.356 -5.363 -10.055 1.00 73.13 C ATOM 1189 CD GLU A 74 3.120 -6.415 -9.233 1.00 25.22 C ATOM 1190 OE1 GLU A 74 3.943 -7.155 -9.819 1.00 0.24 O ATOM 1191 OE2 GLU A 74 2.913 -6.502 -8.000 1.00 30.12 O ATOM 0 H GLU A 74 2.241 -2.887 -8.542 1.00 35.32 H new ATOM 0 HA GLU A 74 4.682 -4.336 -8.868 1.00 4.50 H new ATOM 0 HB2 GLU A 74 2.584 -3.388 -10.884 1.00 5.41 H new ATOM 0 HB3 GLU A 74 3.896 -4.481 -11.276 1.00 5.41 H new ATOM 0 HG2 GLU A 74 1.510 -5.000 -9.471 1.00 73.13 H new ATOM 0 HG3 GLU A 74 1.948 -5.836 -10.948 1.00 73.13 H new ATOM 1198 N GLU A 75 4.690 -1.221 -9.886 1.00 73.50 N ATOM 1199 CA GLU A 75 5.593 -0.162 -10.381 1.00 72.24 C ATOM 1200 C GLU A 75 6.524 0.329 -9.257 1.00 30.32 C ATOM 1201 O GLU A 75 7.728 0.510 -9.474 1.00 11.30 O ATOM 1202 CB GLU A 75 4.794 1.000 -11.015 1.00 43.41 C ATOM 1203 CG GLU A 75 3.875 1.774 -10.059 1.00 63.23 C ATOM 1204 CD GLU A 75 3.098 2.880 -10.765 1.00 62.51 C ATOM 1205 OE1 GLU A 75 3.665 3.964 -11.002 1.00 43.51 O ATOM 1206 OE2 GLU A 75 1.927 2.666 -11.121 1.00 64.34 O ATOM 0 H GLU A 75 3.789 -0.886 -9.545 1.00 73.50 H new ATOM 0 HA GLU A 75 6.220 -0.585 -11.166 1.00 72.24 H new ATOM 0 HB2 GLU A 75 5.500 1.702 -11.460 1.00 43.41 H new ATOM 0 HB3 GLU A 75 4.188 0.599 -11.828 1.00 43.41 H new ATOM 0 HG2 GLU A 75 3.174 1.081 -9.594 1.00 63.23 H new ATOM 0 HG3 GLU A 75 4.473 2.209 -9.258 1.00 63.23 H new ATOM 1213 N CYS A 76 5.965 0.485 -8.043 1.00 21.10 N ATOM 1214 CA CYS A 76 6.680 1.073 -6.901 1.00 62.51 C ATOM 1215 C CYS A 76 7.831 0.175 -6.403 1.00 0.53 C ATOM 1216 O CYS A 76 8.785 0.676 -5.800 1.00 3.11 O ATOM 1217 CB CYS A 76 5.699 1.400 -5.770 1.00 64.54 C ATOM 1218 SG CYS A 76 4.849 -0.010 -5.063 1.00 45.01 S ATOM 0 H CYS A 76 5.007 0.207 -7.829 1.00 21.10 H new ATOM 0 HA CYS A 76 7.139 2.000 -7.244 1.00 62.51 H new ATOM 0 HB2 CYS A 76 6.243 1.911 -4.976 1.00 64.54 H new ATOM 0 HB3 CYS A 76 4.954 2.100 -6.148 1.00 64.54 H new ATOM 0 HG CYS A 76 5.565 -0.511 -4.101 1.00 45.01 H new ATOM 1224 N ILE A 77 7.745 -1.149 -6.673 1.00 3.35 N ATOM 1225 CA ILE A 77 8.845 -2.095 -6.386 1.00 43.11 C ATOM 1226 C ILE A 77 10.108 -1.679 -7.169 1.00 35.45 C ATOM 1227 O ILE A 77 11.225 -1.755 -6.646 1.00 31.53 O ATOM 1228 CB ILE A 77 8.409 -3.602 -6.684 1.00 34.41 C ATOM 1229 CG1 ILE A 77 9.435 -4.675 -6.151 1.00 23.01 C ATOM 1230 CG2 ILE A 77 8.092 -3.836 -8.174 1.00 20.25 C ATOM 1231 CD1 ILE A 77 10.643 -4.977 -7.037 1.00 53.00 C ATOM 0 H ILE A 77 6.923 -1.585 -7.090 1.00 3.35 H new ATOM 0 HA ILE A 77 9.082 -2.054 -5.323 1.00 43.11 H new ATOM 0 HB ILE A 77 7.489 -3.745 -6.117 1.00 34.41 H new ATOM 0 HG12 ILE A 77 9.801 -4.341 -5.180 1.00 23.01 H new ATOM 0 HG13 ILE A 77 8.895 -5.607 -5.984 1.00 23.01 H new ATOM 0 HG21 ILE A 77 7.801 -4.875 -8.325 1.00 20.25 H new ATOM 0 HG22 ILE A 77 7.275 -3.182 -8.479 1.00 20.25 H new ATOM 0 HG23 ILE A 77 8.976 -3.616 -8.773 1.00 20.25 H new ATOM 0 HD11 ILE A 77 11.268 -5.730 -6.556 1.00 53.00 H new ATOM 0 HD12 ILE A 77 10.302 -5.351 -8.002 1.00 53.00 H new ATOM 0 HD13 ILE A 77 11.222 -4.066 -7.186 1.00 53.00 H new ATOM 1243 N GLN A 78 9.899 -1.165 -8.399 1.00 10.54 N ATOM 1244 CA GLN A 78 10.989 -0.801 -9.320 1.00 73.21 C ATOM 1245 C GLN A 78 11.667 0.516 -8.885 1.00 71.22 C ATOM 1246 O GLN A 78 12.816 0.776 -9.250 1.00 72.52 O ATOM 1247 CB GLN A 78 10.443 -0.697 -10.771 1.00 71.43 C ATOM 1248 CG GLN A 78 9.750 -1.983 -11.279 1.00 25.22 C ATOM 1249 CD GLN A 78 10.677 -3.204 -11.327 1.00 50.40 C ATOM 1250 OE1 GLN A 78 11.882 -3.094 -11.566 1.00 13.11 O ATOM 1251 NE2 GLN A 78 10.122 -4.382 -11.100 1.00 71.22 N ATOM 0 H GLN A 78 8.968 -0.992 -8.779 1.00 10.54 H new ATOM 0 HA GLN A 78 11.747 -1.583 -9.289 1.00 73.21 H new ATOM 0 HB2 GLN A 78 9.734 0.129 -10.823 1.00 71.43 H new ATOM 0 HB3 GLN A 78 11.267 -0.452 -11.441 1.00 71.43 H new ATOM 0 HG2 GLN A 78 8.901 -2.207 -10.633 1.00 25.22 H new ATOM 0 HG3 GLN A 78 9.352 -1.801 -12.277 1.00 25.22 H new ATOM 0 HE21 GLN A 78 9.123 -4.446 -10.905 1.00 71.22 H new ATOM 0 HE22 GLN A 78 10.693 -5.227 -11.120 1.00 71.22 H new ATOM 1260 N LEU A 79 10.937 1.327 -8.101 1.00 25.33 N ATOM 1261 CA LEU A 79 11.439 2.595 -7.538 1.00 60.41 C ATOM 1262 C LEU A 79 12.251 2.331 -6.259 1.00 50.03 C ATOM 1263 O LEU A 79 13.390 2.793 -6.119 1.00 64.43 O ATOM 1264 CB LEU A 79 10.238 3.520 -7.222 1.00 44.45 C ATOM 1265 CG LEU A 79 9.320 3.868 -8.428 1.00 72.33 C ATOM 1266 CD1 LEU A 79 8.070 4.618 -7.957 1.00 62.40 C ATOM 1267 CD2 LEU A 79 10.087 4.666 -9.507 1.00 54.14 C ATOM 0 H LEU A 79 9.974 1.121 -7.837 1.00 25.33 H new ATOM 0 HA LEU A 79 12.092 3.077 -8.265 1.00 60.41 H new ATOM 0 HB2 LEU A 79 9.630 3.046 -6.451 1.00 44.45 H new ATOM 0 HB3 LEU A 79 10.620 4.449 -6.800 1.00 44.45 H new ATOM 0 HG LEU A 79 8.997 2.934 -8.888 1.00 72.33 H new ATOM 0 HD11 LEU A 79 7.441 4.852 -8.816 1.00 62.40 H new ATOM 0 HD12 LEU A 79 7.513 3.994 -7.259 1.00 62.40 H new ATOM 0 HD13 LEU A 79 8.366 5.542 -7.461 1.00 62.40 H new ATOM 0 HD21 LEU A 79 9.417 4.893 -10.336 1.00 54.14 H new ATOM 0 HD22 LEU A 79 10.460 5.595 -9.076 1.00 54.14 H new ATOM 0 HD23 LEU A 79 10.926 4.073 -9.871 1.00 54.14 H new ATOM 1279 N GLU A 80 11.629 1.588 -5.328 1.00 41.50 N ATOM 1280 CA GLU A 80 12.223 1.238 -4.028 1.00 41.14 C ATOM 1281 C GLU A 80 11.626 -0.107 -3.558 1.00 55.53 C ATOM 1282 O GLU A 80 10.464 -0.140 -3.153 1.00 11.43 O ATOM 1283 CB GLU A 80 11.975 2.371 -2.979 1.00 0.43 C ATOM 1284 CG GLU A 80 12.523 2.093 -1.562 1.00 2.04 C ATOM 1285 CD GLU A 80 14.046 1.912 -1.538 1.00 53.42 C ATOM 1286 OE1 GLU A 80 14.777 2.926 -1.511 1.00 63.24 O ATOM 1287 OE2 GLU A 80 14.529 0.757 -1.564 1.00 2.02 O ATOM 0 H GLU A 80 10.691 1.210 -5.459 1.00 41.50 H new ATOM 0 HA GLU A 80 13.303 1.134 -4.132 1.00 41.14 H new ATOM 0 HB2 GLU A 80 12.425 3.292 -3.350 1.00 0.43 H new ATOM 0 HB3 GLU A 80 10.902 2.548 -2.907 1.00 0.43 H new ATOM 0 HG2 GLU A 80 12.249 2.917 -0.904 1.00 2.04 H new ATOM 0 HG3 GLU A 80 12.049 1.196 -1.164 1.00 2.04 H new ATOM 1294 N PRO A 81 12.394 -1.244 -3.646 1.00 51.12 N ATOM 1295 CA PRO A 81 11.901 -2.588 -3.237 1.00 45.40 C ATOM 1296 C PRO A 81 11.636 -2.733 -1.715 1.00 33.12 C ATOM 1297 O PRO A 81 10.953 -3.676 -1.303 1.00 55.43 O ATOM 1298 CB PRO A 81 13.030 -3.544 -3.712 1.00 22.22 C ATOM 1299 CG PRO A 81 14.263 -2.687 -3.735 1.00 12.12 C ATOM 1300 CD PRO A 81 13.791 -1.315 -4.174 1.00 32.33 C ATOM 0 HA PRO A 81 10.927 -2.801 -3.677 1.00 45.40 H new ATOM 0 HB2 PRO A 81 13.146 -4.389 -3.033 1.00 22.22 H new ATOM 0 HB3 PRO A 81 12.814 -3.955 -4.698 1.00 22.22 H new ATOM 0 HG2 PRO A 81 14.731 -2.645 -2.751 1.00 12.12 H new ATOM 0 HG3 PRO A 81 15.006 -3.086 -4.425 1.00 12.12 H new ATOM 0 HD2 PRO A 81 14.417 -0.524 -3.762 1.00 32.33 H new ATOM 0 HD3 PRO A 81 13.817 -1.209 -5.259 1.00 32.33 H new ATOM 1308 N THR A 82 12.149 -1.798 -0.883 1.00 75.24 N ATOM 1309 CA THR A 82 11.949 -1.851 0.588 1.00 31.21 C ATOM 1310 C THR A 82 10.643 -1.140 1.021 1.00 24.34 C ATOM 1311 O THR A 82 10.446 -0.869 2.217 1.00 62.11 O ATOM 1312 CB THR A 82 13.182 -1.268 1.366 1.00 62.12 C ATOM 1313 OG1 THR A 82 13.365 0.118 1.053 1.00 13.03 O ATOM 1314 CG2 THR A 82 14.477 -2.042 1.043 1.00 30.22 C ATOM 0 H THR A 82 12.702 -1.001 -1.200 1.00 75.24 H new ATOM 0 HA THR A 82 11.856 -2.905 0.850 1.00 31.21 H new ATOM 0 HB THR A 82 12.972 -1.377 2.430 1.00 62.12 H new ATOM 0 HG1 THR A 82 13.887 0.201 0.228 1.00 13.03 H new ATOM 0 HG21 THR A 82 15.308 -1.609 1.600 1.00 30.22 H new ATOM 0 HG22 THR A 82 14.356 -3.088 1.326 1.00 30.22 H new ATOM 0 HG23 THR A 82 14.683 -1.977 -0.025 1.00 30.22 H new ATOM 1322 N PHE A 83 9.738 -0.885 0.045 1.00 54.32 N ATOM 1323 CA PHE A 83 8.406 -0.314 0.302 1.00 44.20 C ATOM 1324 C PHE A 83 7.538 -1.328 1.112 1.00 54.01 C ATOM 1325 O PHE A 83 7.188 -2.410 0.634 1.00 31.20 O ATOM 1326 CB PHE A 83 7.724 0.108 -1.044 1.00 25.01 C ATOM 1327 CG PHE A 83 7.236 -1.049 -1.931 1.00 53.24 C ATOM 1328 CD1 PHE A 83 8.119 -1.967 -2.483 1.00 61.55 C ATOM 1329 CD2 PHE A 83 5.889 -1.225 -2.178 1.00 43.51 C ATOM 1330 CE1 PHE A 83 7.669 -3.016 -3.251 1.00 2.33 C ATOM 1331 CE2 PHE A 83 5.435 -2.277 -2.953 1.00 20.21 C ATOM 1332 CZ PHE A 83 6.323 -3.171 -3.489 1.00 10.22 C ATOM 0 H PHE A 83 9.917 -1.072 -0.942 1.00 54.32 H new ATOM 0 HA PHE A 83 8.507 0.587 0.906 1.00 44.20 H new ATOM 0 HB2 PHE A 83 6.874 0.750 -0.814 1.00 25.01 H new ATOM 0 HB3 PHE A 83 8.431 0.708 -1.617 1.00 25.01 H new ATOM 0 HD1 PHE A 83 9.179 -1.856 -2.306 1.00 61.55 H new ATOM 0 HD2 PHE A 83 5.177 -0.529 -1.759 1.00 43.51 H new ATOM 0 HE1 PHE A 83 8.374 -3.720 -3.668 1.00 2.33 H new ATOM 0 HE2 PHE A 83 4.377 -2.394 -3.136 1.00 20.21 H new ATOM 0 HZ PHE A 83 5.969 -3.992 -4.095 1.00 10.22 H new ATOM 1342 N ILE A 84 7.230 -0.974 2.360 1.00 4.41 N ATOM 1343 CA ILE A 84 6.526 -1.864 3.311 1.00 2.20 C ATOM 1344 C ILE A 84 5.012 -1.814 3.072 1.00 33.41 C ATOM 1345 O ILE A 84 4.354 -2.861 2.994 1.00 14.42 O ATOM 1346 CB ILE A 84 6.895 -1.487 4.805 1.00 54.51 C ATOM 1347 CG1 ILE A 84 8.348 -1.980 5.128 1.00 53.22 C ATOM 1348 CG2 ILE A 84 5.862 -2.014 5.833 1.00 12.24 C ATOM 1349 CD1 ILE A 84 8.804 -1.802 6.566 1.00 72.23 C ATOM 0 H ILE A 84 7.459 -0.060 2.751 1.00 4.41 H new ATOM 0 HA ILE A 84 6.854 -2.889 3.141 1.00 2.20 H new ATOM 0 HB ILE A 84 6.862 -0.401 4.895 1.00 54.51 H new ATOM 0 HG12 ILE A 84 8.417 -3.038 4.873 1.00 53.22 H new ATOM 0 HG13 ILE A 84 9.044 -1.450 4.478 1.00 53.22 H new ATOM 0 HG21 ILE A 84 6.169 -1.725 6.838 1.00 12.24 H new ATOM 0 HG22 ILE A 84 4.883 -1.588 5.616 1.00 12.24 H new ATOM 0 HG23 ILE A 84 5.807 -3.101 5.769 1.00 12.24 H new ATOM 0 HD11 ILE A 84 9.822 -2.177 6.674 1.00 72.23 H new ATOM 0 HD12 ILE A 84 8.777 -0.744 6.828 1.00 72.23 H new ATOM 0 HD13 ILE A 84 8.141 -2.357 7.229 1.00 72.23 H new ATOM 1361 N LYS A 85 4.493 -0.581 2.917 1.00 61.41 N ATOM 1362 CA LYS A 85 3.050 -0.318 2.784 1.00 63.23 C ATOM 1363 C LYS A 85 2.447 -1.031 1.562 1.00 73.11 C ATOM 1364 O LYS A 85 1.284 -1.399 1.579 1.00 54.55 O ATOM 1365 CB LYS A 85 2.789 1.211 2.721 1.00 5.41 C ATOM 1366 CG LYS A 85 3.275 1.986 3.967 1.00 51.33 C ATOM 1367 CD LYS A 85 2.575 1.523 5.270 1.00 24.44 C ATOM 1368 CE LYS A 85 3.131 2.217 6.520 1.00 34.22 C ATOM 1369 NZ LYS A 85 2.382 1.824 7.744 1.00 51.31 N ATOM 0 H LYS A 85 5.066 0.262 2.881 1.00 61.41 H new ATOM 0 HA LYS A 85 2.553 -0.724 3.665 1.00 63.23 H new ATOM 0 HB2 LYS A 85 3.283 1.617 1.838 1.00 5.41 H new ATOM 0 HB3 LYS A 85 1.720 1.381 2.595 1.00 5.41 H new ATOM 0 HG2 LYS A 85 4.352 1.857 4.073 1.00 51.33 H new ATOM 0 HG3 LYS A 85 3.094 3.051 3.821 1.00 51.33 H new ATOM 0 HD2 LYS A 85 1.506 1.723 5.194 1.00 24.44 H new ATOM 0 HD3 LYS A 85 2.691 0.444 5.376 1.00 24.44 H new ATOM 0 HE2 LYS A 85 4.184 1.963 6.640 1.00 34.22 H new ATOM 0 HE3 LYS A 85 3.077 3.298 6.391 1.00 34.22 H new ATOM 0 HZ1 LYS A 85 2.875 2.188 8.584 1.00 51.31 H new ATOM 0 HZ2 LYS A 85 1.422 2.222 7.706 1.00 51.31 H new ATOM 0 HZ3 LYS A 85 2.325 0.787 7.798 1.00 51.31 H new ATOM 1383 N GLY A 86 3.264 -1.247 0.521 1.00 41.33 N ATOM 1384 CA GLY A 86 2.807 -1.912 -0.689 1.00 1.53 C ATOM 1385 C GLY A 86 2.537 -3.382 -0.499 1.00 62.34 C ATOM 1386 O GLY A 86 1.536 -3.874 -0.998 1.00 44.41 O ATOM 0 H GLY A 86 4.245 -0.967 0.501 1.00 41.33 H new ATOM 0 HA2 GLY A 86 1.897 -1.426 -1.040 1.00 1.53 H new ATOM 0 HA3 GLY A 86 3.557 -1.786 -1.469 1.00 1.53 H new ATOM 1390 N TYR A 87 3.431 -4.081 0.233 1.00 64.03 N ATOM 1391 CA TYR A 87 3.277 -5.522 0.525 1.00 51.20 C ATOM 1392 C TYR A 87 2.130 -5.789 1.530 1.00 33.22 C ATOM 1393 O TYR A 87 1.533 -6.874 1.526 1.00 12.42 O ATOM 1394 CB TYR A 87 4.613 -6.133 1.033 1.00 23.11 C ATOM 1395 CG TYR A 87 5.698 -6.274 -0.053 1.00 72.01 C ATOM 1396 CD1 TYR A 87 5.529 -7.155 -1.130 1.00 13.30 C ATOM 1397 CD2 TYR A 87 6.870 -5.521 -0.021 1.00 64.41 C ATOM 1398 CE1 TYR A 87 6.492 -7.285 -2.113 1.00 54.35 C ATOM 1399 CE2 TYR A 87 7.835 -5.646 -1.005 1.00 64.34 C ATOM 1400 CZ TYR A 87 7.638 -6.521 -2.051 1.00 24.43 C ATOM 1401 OH TYR A 87 8.594 -6.632 -3.045 1.00 23.12 O ATOM 0 H TYR A 87 4.272 -3.667 0.635 1.00 64.03 H new ATOM 0 HA TYR A 87 3.009 -6.014 -0.410 1.00 51.20 H new ATOM 0 HB2 TYR A 87 5.001 -5.510 1.839 1.00 23.11 H new ATOM 0 HB3 TYR A 87 4.411 -7.116 1.459 1.00 23.11 H new ATOM 0 HD1 TYR A 87 4.627 -7.745 -1.193 1.00 13.30 H new ATOM 0 HD2 TYR A 87 7.029 -4.825 0.789 1.00 64.41 H new ATOM 0 HE1 TYR A 87 6.347 -7.982 -2.926 1.00 54.35 H new ATOM 0 HE2 TYR A 87 8.740 -5.059 -0.953 1.00 64.34 H new ATOM 0 HH TYR A 87 9.339 -6.025 -2.852 1.00 23.12 H new ATOM 1411 N THR A 88 1.807 -4.795 2.367 1.00 5.21 N ATOM 1412 CA THR A 88 0.717 -4.912 3.349 1.00 60.25 C ATOM 1413 C THR A 88 -0.651 -4.645 2.678 1.00 31.40 C ATOM 1414 O THR A 88 -1.661 -5.261 3.046 1.00 64.23 O ATOM 1415 CB THR A 88 0.955 -3.955 4.553 1.00 3.03 C ATOM 1416 OG1 THR A 88 0.941 -2.590 4.118 1.00 43.01 O ATOM 1417 CG2 THR A 88 2.301 -4.255 5.234 1.00 51.12 C ATOM 0 H THR A 88 2.287 -3.895 2.385 1.00 5.21 H new ATOM 0 HA THR A 88 0.706 -5.932 3.734 1.00 60.25 H new ATOM 0 HB THR A 88 0.150 -4.116 5.270 1.00 3.03 H new ATOM 0 HG1 THR A 88 1.035 -2.556 3.143 1.00 43.01 H new ATOM 0 HG21 THR A 88 2.445 -3.573 6.072 1.00 51.12 H new ATOM 0 HG22 THR A 88 2.304 -5.283 5.597 1.00 51.12 H new ATOM 0 HG23 THR A 88 3.110 -4.122 4.516 1.00 51.12 H new ATOM 1425 N ARG A 89 -0.666 -3.731 1.676 1.00 63.12 N ATOM 1426 CA ARG A 89 -1.852 -3.489 0.818 1.00 71.10 C ATOM 1427 C ARG A 89 -1.942 -4.556 -0.296 1.00 34.51 C ATOM 1428 O ARG A 89 -3.001 -4.737 -0.905 1.00 31.33 O ATOM 1429 CB ARG A 89 -1.829 -2.058 0.199 1.00 4.34 C ATOM 1430 CG ARG A 89 -1.731 -0.903 1.227 1.00 74.01 C ATOM 1431 CD ARG A 89 -2.768 -0.995 2.359 1.00 70.43 C ATOM 1432 NE ARG A 89 -2.611 0.086 3.346 1.00 12.44 N ATOM 1433 CZ ARG A 89 -1.963 -0.008 4.513 1.00 12.22 C ATOM 1434 NH1 ARG A 89 -1.397 -1.150 4.902 1.00 35.11 N ATOM 1435 NH2 ARG A 89 -1.907 1.052 5.295 1.00 73.41 N ATOM 0 H ARG A 89 0.136 -3.146 1.442 1.00 63.12 H new ATOM 0 HA ARG A 89 -2.737 -3.564 1.450 1.00 71.10 H new ATOM 0 HB2 ARG A 89 -0.984 -1.988 -0.486 1.00 4.34 H new ATOM 0 HB3 ARG A 89 -2.733 -1.920 -0.395 1.00 4.34 H new ATOM 0 HG2 ARG A 89 -0.731 -0.898 1.661 1.00 74.01 H new ATOM 0 HG3 ARG A 89 -1.857 0.047 0.707 1.00 74.01 H new ATOM 0 HD2 ARG A 89 -3.771 -0.954 1.935 1.00 70.43 H new ATOM 0 HD3 ARG A 89 -2.672 -1.959 2.860 1.00 70.43 H new ATOM 0 HE ARG A 89 -3.034 0.986 3.120 1.00 12.44 H new ATOM 0 HH11 ARG A 89 -1.453 -1.976 4.306 1.00 35.11 H new ATOM 0 HH12 ARG A 89 -0.908 -1.198 5.796 1.00 35.11 H new ATOM 0 HH21 ARG A 89 -2.353 1.923 5.006 1.00 73.41 H new ATOM 0 HH22 ARG A 89 -1.418 1.001 6.189 1.00 73.41 H new ATOM 1449 N LYS A 90 -0.809 -5.246 -0.549 1.00 24.25 N ATOM 1450 CA LYS A 90 -0.721 -6.348 -1.520 1.00 71.12 C ATOM 1451 C LYS A 90 -1.462 -7.561 -0.975 1.00 54.43 C ATOM 1452 O LYS A 90 -2.301 -8.117 -1.662 1.00 71.00 O ATOM 1453 CB LYS A 90 0.758 -6.719 -1.797 1.00 4.44 C ATOM 1454 CG LYS A 90 0.989 -7.777 -2.895 1.00 5.33 C ATOM 1455 CD LYS A 90 0.581 -7.258 -4.285 1.00 22.35 C ATOM 1456 CE LYS A 90 0.925 -8.233 -5.404 1.00 32.31 C ATOM 1457 NZ LYS A 90 0.598 -7.673 -6.732 1.00 52.44 N ATOM 0 H LYS A 90 0.075 -5.049 -0.079 1.00 24.25 H new ATOM 0 HA LYS A 90 -1.176 -6.027 -2.457 1.00 71.12 H new ATOM 0 HB2 LYS A 90 1.295 -5.812 -2.074 1.00 4.44 H new ATOM 0 HB3 LYS A 90 1.202 -7.082 -0.870 1.00 4.44 H new ATOM 0 HG2 LYS A 90 2.041 -8.063 -2.908 1.00 5.33 H new ATOM 0 HG3 LYS A 90 0.417 -8.675 -2.660 1.00 5.33 H new ATOM 0 HD2 LYS A 90 -0.492 -7.064 -4.295 1.00 22.35 H new ATOM 0 HD3 LYS A 90 1.078 -6.306 -4.473 1.00 22.35 H new ATOM 0 HE2 LYS A 90 1.987 -8.476 -5.362 1.00 32.31 H new ATOM 0 HE3 LYS A 90 0.379 -9.165 -5.257 1.00 32.31 H new ATOM 0 HZ1 LYS A 90 1.283 -8.021 -7.433 1.00 52.44 H new ATOM 0 HZ2 LYS A 90 -0.360 -7.969 -7.007 1.00 52.44 H new ATOM 0 HZ3 LYS A 90 0.641 -6.635 -6.691 1.00 52.44 H new ATOM 1471 N ALA A 91 -1.140 -7.947 0.276 1.00 35.11 N ATOM 1472 CA ALA A 91 -1.825 -9.044 0.985 1.00 3.43 C ATOM 1473 C ALA A 91 -3.337 -8.759 1.115 1.00 22.42 C ATOM 1474 O ALA A 91 -4.160 -9.674 1.007 1.00 41.31 O ATOM 1475 CB ALA A 91 -1.177 -9.265 2.361 1.00 61.02 C ATOM 0 H ALA A 91 -0.399 -7.507 0.822 1.00 35.11 H new ATOM 0 HA ALA A 91 -1.716 -9.959 0.403 1.00 3.43 H new ATOM 0 HB1 ALA A 91 -1.689 -10.077 2.878 1.00 61.02 H new ATOM 0 HB2 ALA A 91 -0.126 -9.523 2.231 1.00 61.02 H new ATOM 0 HB3 ALA A 91 -1.256 -8.352 2.951 1.00 61.02 H new ATOM 1481 N ALA A 92 -3.673 -7.464 1.298 1.00 52.12 N ATOM 1482 CA ALA A 92 -5.063 -6.976 1.377 1.00 53.14 C ATOM 1483 C ALA A 92 -5.794 -7.097 0.018 1.00 43.35 C ATOM 1484 O ALA A 92 -6.987 -7.428 -0.030 1.00 23.23 O ATOM 1485 CB ALA A 92 -5.074 -5.519 1.870 1.00 63.13 C ATOM 0 H ALA A 92 -2.979 -6.723 1.396 1.00 52.12 H new ATOM 0 HA ALA A 92 -5.602 -7.602 2.088 1.00 53.14 H new ATOM 0 HB1 ALA A 92 -6.102 -5.162 1.927 1.00 63.13 H new ATOM 0 HB2 ALA A 92 -4.616 -5.466 2.858 1.00 63.13 H new ATOM 0 HB3 ALA A 92 -4.512 -4.895 1.175 1.00 63.13 H new ATOM 1491 N ALA A 93 -5.065 -6.827 -1.081 1.00 53.04 N ATOM 1492 CA ALA A 93 -5.602 -6.947 -2.447 1.00 13.43 C ATOM 1493 C ALA A 93 -5.851 -8.422 -2.791 1.00 14.55 C ATOM 1494 O ALA A 93 -6.969 -8.804 -3.164 1.00 0.33 O ATOM 1495 CB ALA A 93 -4.645 -6.288 -3.456 1.00 43.15 C ATOM 0 H ALA A 93 -4.093 -6.521 -1.046 1.00 53.04 H new ATOM 0 HA ALA A 93 -6.557 -6.424 -2.502 1.00 13.43 H new ATOM 0 HB1 ALA A 93 -5.054 -6.384 -4.462 1.00 43.15 H new ATOM 0 HB2 ALA A 93 -4.528 -5.232 -3.211 1.00 43.15 H new ATOM 0 HB3 ALA A 93 -3.674 -6.780 -3.411 1.00 43.15 H new ATOM 1501 N LEU A 94 -4.797 -9.241 -2.582 1.00 65.10 N ATOM 1502 CA LEU A 94 -4.810 -10.701 -2.794 1.00 64.33 C ATOM 1503 C LEU A 94 -5.944 -11.365 -2.005 1.00 12.05 C ATOM 1504 O LEU A 94 -6.610 -12.253 -2.521 1.00 34.45 O ATOM 1505 CB LEU A 94 -3.443 -11.321 -2.383 1.00 21.31 C ATOM 1506 CG LEU A 94 -2.210 -10.848 -3.212 1.00 24.12 C ATOM 1507 CD1 LEU A 94 -0.899 -11.458 -2.692 1.00 52.41 C ATOM 1508 CD2 LEU A 94 -2.397 -11.137 -4.708 1.00 3.25 C ATOM 0 H LEU A 94 -3.895 -8.896 -2.254 1.00 65.10 H new ATOM 0 HA LEU A 94 -4.980 -10.883 -3.855 1.00 64.33 H new ATOM 0 HB2 LEU A 94 -3.262 -11.091 -1.333 1.00 21.31 H new ATOM 0 HB3 LEU A 94 -3.518 -12.405 -2.464 1.00 21.31 H new ATOM 0 HG LEU A 94 -2.138 -9.768 -3.085 1.00 24.12 H new ATOM 0 HD11 LEU A 94 -0.066 -11.102 -3.298 1.00 52.41 H new ATOM 0 HD12 LEU A 94 -0.746 -11.161 -1.655 1.00 52.41 H new ATOM 0 HD13 LEU A 94 -0.954 -12.545 -2.754 1.00 52.41 H new ATOM 0 HD21 LEU A 94 -1.520 -10.795 -5.257 1.00 3.25 H new ATOM 0 HD22 LEU A 94 -2.524 -12.209 -4.858 1.00 3.25 H new ATOM 0 HD23 LEU A 94 -3.280 -10.612 -5.072 1.00 3.25 H new ATOM 1520 N GLU A 95 -6.168 -10.877 -0.770 1.00 44.33 N ATOM 1521 CA GLU A 95 -7.275 -11.323 0.098 1.00 42.13 C ATOM 1522 C GLU A 95 -8.633 -11.253 -0.631 1.00 30.50 C ATOM 1523 O GLU A 95 -9.421 -12.209 -0.578 1.00 40.11 O ATOM 1524 CB GLU A 95 -7.311 -10.457 1.380 1.00 65.35 C ATOM 1525 CG GLU A 95 -8.418 -10.825 2.389 1.00 51.30 C ATOM 1526 CD GLU A 95 -8.440 -9.905 3.606 1.00 12.21 C ATOM 1527 OE1 GLU A 95 -7.544 -10.030 4.469 1.00 23.23 O ATOM 1528 OE2 GLU A 95 -9.342 -9.037 3.710 1.00 60.11 O ATOM 0 H GLU A 95 -5.583 -10.158 -0.344 1.00 44.33 H new ATOM 0 HA GLU A 95 -7.099 -12.365 0.365 1.00 42.13 H new ATOM 0 HB2 GLU A 95 -6.345 -10.535 1.880 1.00 65.35 H new ATOM 0 HB3 GLU A 95 -7.437 -9.414 1.091 1.00 65.35 H new ATOM 0 HG2 GLU A 95 -9.386 -10.783 1.890 1.00 51.30 H new ATOM 0 HG3 GLU A 95 -8.274 -11.854 2.720 1.00 51.30 H new ATOM 1535 N ALA A 96 -8.855 -10.148 -1.383 1.00 33.45 N ATOM 1536 CA ALA A 96 -10.107 -9.925 -2.133 1.00 44.02 C ATOM 1537 C ALA A 96 -10.154 -10.829 -3.382 1.00 1.13 C ATOM 1538 O ALA A 96 -11.233 -11.160 -3.880 1.00 45.42 O ATOM 1539 CB ALA A 96 -10.232 -8.441 -2.523 1.00 72.02 C ATOM 0 H ALA A 96 -8.175 -9.394 -1.484 1.00 33.45 H new ATOM 0 HA ALA A 96 -10.952 -10.185 -1.496 1.00 44.02 H new ATOM 0 HB1 ALA A 96 -11.159 -8.287 -3.076 1.00 72.02 H new ATOM 0 HB2 ALA A 96 -10.241 -7.828 -1.622 1.00 72.02 H new ATOM 0 HB3 ALA A 96 -9.385 -8.156 -3.148 1.00 72.02 H new ATOM 1545 N MET A 97 -8.963 -11.253 -3.850 1.00 1.43 N ATOM 1546 CA MET A 97 -8.810 -12.123 -5.036 1.00 43.34 C ATOM 1547 C MET A 97 -8.733 -13.609 -4.597 1.00 44.04 C ATOM 1548 O MET A 97 -8.547 -14.501 -5.434 1.00 12.55 O ATOM 1549 CB MET A 97 -7.531 -11.710 -5.813 1.00 11.12 C ATOM 1550 CG MET A 97 -7.462 -10.224 -6.194 1.00 64.44 C ATOM 1551 SD MET A 97 -8.836 -9.701 -7.242 1.00 15.44 S ATOM 1552 CE MET A 97 -8.493 -7.952 -7.435 1.00 62.43 C ATOM 0 H MET A 97 -8.076 -11.001 -3.415 1.00 1.43 H new ATOM 0 HA MET A 97 -9.673 -12.007 -5.691 1.00 43.34 H new ATOM 0 HB2 MET A 97 -6.659 -11.956 -5.207 1.00 11.12 H new ATOM 0 HB3 MET A 97 -7.466 -12.307 -6.722 1.00 11.12 H new ATOM 0 HG2 MET A 97 -7.455 -9.621 -5.286 1.00 64.44 H new ATOM 0 HG3 MET A 97 -6.523 -10.030 -6.712 1.00 64.44 H new ATOM 0 HE1 MET A 97 -9.353 -7.461 -7.890 1.00 62.43 H new ATOM 0 HE2 MET A 97 -8.297 -7.510 -6.458 1.00 62.43 H new ATOM 0 HE3 MET A 97 -7.620 -7.821 -8.075 1.00 62.43 H new ATOM 1562 N LYS A 98 -8.851 -13.830 -3.251 1.00 32.31 N ATOM 1563 CA LYS A 98 -8.876 -15.157 -2.585 1.00 12.31 C ATOM 1564 C LYS A 98 -7.514 -15.889 -2.673 1.00 55.55 C ATOM 1565 O LYS A 98 -7.426 -17.094 -2.422 1.00 53.31 O ATOM 1566 CB LYS A 98 -10.053 -16.028 -3.127 1.00 52.42 C ATOM 1567 CG LYS A 98 -11.451 -15.359 -3.007 1.00 32.32 C ATOM 1568 CD LYS A 98 -11.915 -15.144 -1.547 1.00 42.21 C ATOM 1569 CE LYS A 98 -12.203 -16.464 -0.803 1.00 51.24 C ATOM 1570 NZ LYS A 98 -13.276 -17.256 -1.460 1.00 73.33 N ATOM 0 H LYS A 98 -8.933 -13.061 -2.586 1.00 32.31 H new ATOM 0 HA LYS A 98 -9.053 -14.987 -1.523 1.00 12.31 H new ATOM 0 HB2 LYS A 98 -9.864 -16.262 -4.175 1.00 52.42 H new ATOM 0 HB3 LYS A 98 -10.068 -16.974 -2.586 1.00 52.42 H new ATOM 0 HG2 LYS A 98 -11.428 -14.396 -3.517 1.00 32.32 H new ATOM 0 HG3 LYS A 98 -12.185 -15.976 -3.525 1.00 32.32 H new ATOM 0 HD2 LYS A 98 -11.148 -14.589 -1.006 1.00 42.21 H new ATOM 0 HD3 LYS A 98 -12.815 -14.529 -1.545 1.00 42.21 H new ATOM 0 HE2 LYS A 98 -11.291 -17.059 -0.756 1.00 51.24 H new ATOM 0 HE3 LYS A 98 -12.493 -16.244 0.224 1.00 51.24 H new ATOM 0 HZ1 LYS A 98 -13.566 -18.034 -0.834 1.00 73.33 H new ATOM 0 HZ2 LYS A 98 -14.094 -16.642 -1.650 1.00 73.33 H new ATOM 0 HZ3 LYS A 98 -12.920 -17.646 -2.356 1.00 73.33 H new ATOM 1584 N ASP A 99 -6.453 -15.112 -2.958 1.00 33.21 N ATOM 1585 CA ASP A 99 -5.062 -15.593 -3.086 1.00 44.43 C ATOM 1586 C ASP A 99 -4.337 -15.561 -1.730 1.00 34.43 C ATOM 1587 O ASP A 99 -3.220 -15.044 -1.626 1.00 22.15 O ATOM 1588 CB ASP A 99 -4.304 -14.720 -4.129 1.00 4.11 C ATOM 1589 CG ASP A 99 -4.754 -14.972 -5.569 1.00 54.32 C ATOM 1590 OD1 ASP A 99 -4.413 -16.038 -6.128 1.00 2.22 O ATOM 1591 OD2 ASP A 99 -5.447 -14.123 -6.149 1.00 63.22 O ATOM 0 H ASP A 99 -6.540 -14.107 -3.110 1.00 33.21 H new ATOM 0 HA ASP A 99 -5.081 -16.628 -3.427 1.00 44.43 H new ATOM 0 HB2 ASP A 99 -4.452 -13.667 -3.888 1.00 4.11 H new ATOM 0 HB3 ASP A 99 -3.235 -14.918 -4.050 1.00 4.11 H new ATOM 1596 N TYR A 100 -4.975 -16.132 -0.701 1.00 41.05 N ATOM 1597 CA TYR A 100 -4.397 -16.263 0.652 1.00 45.02 C ATOM 1598 C TYR A 100 -3.059 -17.028 0.636 1.00 53.23 C ATOM 1599 O TYR A 100 -2.125 -16.685 1.378 1.00 4.21 O ATOM 1600 CB TYR A 100 -5.402 -16.981 1.578 1.00 2.40 C ATOM 1601 CG TYR A 100 -6.800 -16.361 1.543 1.00 34.24 C ATOM 1602 CD1 TYR A 100 -6.970 -14.998 1.759 1.00 1.33 C ATOM 1603 CD2 TYR A 100 -7.938 -17.123 1.268 1.00 45.42 C ATOM 1604 CE1 TYR A 100 -8.209 -14.426 1.716 1.00 65.13 C ATOM 1605 CE2 TYR A 100 -9.189 -16.545 1.225 1.00 63.43 C ATOM 1606 CZ TYR A 100 -9.316 -15.191 1.446 1.00 62.10 C ATOM 1607 OH TYR A 100 -10.559 -14.595 1.408 1.00 50.41 O ATOM 0 H TYR A 100 -5.915 -16.521 -0.779 1.00 41.05 H new ATOM 0 HA TYR A 100 -4.197 -15.259 1.027 1.00 45.02 H new ATOM 0 HB2 TYR A 100 -5.469 -18.030 1.288 1.00 2.40 H new ATOM 0 HB3 TYR A 100 -5.026 -16.957 2.601 1.00 2.40 H new ATOM 0 HD1 TYR A 100 -6.107 -14.381 1.964 1.00 1.33 H new ATOM 0 HD2 TYR A 100 -7.836 -18.183 1.086 1.00 45.42 H new ATOM 0 HE1 TYR A 100 -8.318 -13.367 1.895 1.00 65.13 H new ATOM 0 HE2 TYR A 100 -10.061 -17.148 1.020 1.00 63.43 H new ATOM 0 HH TYR A 100 -10.467 -13.664 1.117 1.00 50.41 H new ATOM 1617 N THR A 101 -2.985 -18.046 -0.246 1.00 34.02 N ATOM 1618 CA THR A 101 -1.779 -18.856 -0.463 1.00 31.54 C ATOM 1619 C THR A 101 -0.614 -18.010 -1.016 1.00 14.45 C ATOM 1620 O THR A 101 0.544 -18.382 -0.862 1.00 75.10 O ATOM 1621 CB THR A 101 -2.069 -20.038 -1.445 1.00 45.43 C ATOM 1622 OG1 THR A 101 -2.610 -19.524 -2.677 1.00 72.51 O ATOM 1623 CG2 THR A 101 -3.049 -21.067 -0.844 1.00 54.13 C ATOM 0 H THR A 101 -3.771 -18.328 -0.831 1.00 34.02 H new ATOM 0 HA THR A 101 -1.488 -19.255 0.509 1.00 31.54 H new ATOM 0 HB THR A 101 -1.124 -20.548 -1.631 1.00 45.43 H new ATOM 0 HG1 THR A 101 -2.789 -20.267 -3.291 1.00 72.51 H new ATOM 0 HG21 THR A 101 -3.220 -21.869 -1.562 1.00 54.13 H new ATOM 0 HG22 THR A 101 -2.625 -21.483 0.070 1.00 54.13 H new ATOM 0 HG23 THR A 101 -3.995 -20.577 -0.615 1.00 54.13 H new ATOM 1631 N LYS A 102 -0.942 -16.888 -1.695 1.00 31.45 N ATOM 1632 CA LYS A 102 0.058 -15.937 -2.219 1.00 34.04 C ATOM 1633 C LYS A 102 0.399 -14.894 -1.142 1.00 3.04 C ATOM 1634 O LYS A 102 1.563 -14.539 -0.952 1.00 12.34 O ATOM 1635 CB LYS A 102 -0.474 -15.229 -3.503 1.00 21.53 C ATOM 1636 CG LYS A 102 -0.951 -16.146 -4.665 1.00 72.05 C ATOM 1637 CD LYS A 102 0.153 -17.044 -5.302 1.00 54.12 C ATOM 1638 CE LYS A 102 0.331 -18.404 -4.604 1.00 21.52 C ATOM 1639 NZ LYS A 102 1.414 -19.210 -5.220 1.00 5.03 N ATOM 0 H LYS A 102 -1.906 -16.619 -1.894 1.00 31.45 H new ATOM 0 HA LYS A 102 0.960 -16.490 -2.482 1.00 34.04 H new ATOM 0 HB2 LYS A 102 -1.305 -14.585 -3.216 1.00 21.53 H new ATOM 0 HB3 LYS A 102 0.315 -14.580 -3.884 1.00 21.53 H new ATOM 0 HG2 LYS A 102 -1.750 -16.789 -4.294 1.00 72.05 H new ATOM 0 HG3 LYS A 102 -1.382 -15.520 -5.446 1.00 72.05 H new ATOM 0 HD2 LYS A 102 -0.091 -17.214 -6.351 1.00 54.12 H new ATOM 0 HD3 LYS A 102 1.102 -16.508 -5.279 1.00 54.12 H new ATOM 0 HE2 LYS A 102 0.554 -18.243 -3.549 1.00 21.52 H new ATOM 0 HE3 LYS A 102 -0.605 -18.960 -4.650 1.00 21.52 H new ATOM 0 HZ1 LYS A 102 1.499 -20.117 -4.719 1.00 5.03 H new ATOM 0 HZ2 LYS A 102 1.190 -19.386 -6.220 1.00 5.03 H new ATOM 0 HZ3 LYS A 102 2.313 -18.692 -5.153 1.00 5.03 H new ATOM 1653 N ALA A 103 -0.652 -14.431 -0.433 1.00 40.10 N ATOM 1654 CA ALA A 103 -0.567 -13.347 0.566 1.00 2.41 C ATOM 1655 C ALA A 103 0.328 -13.731 1.757 1.00 11.01 C ATOM 1656 O ALA A 103 1.093 -12.901 2.255 1.00 52.55 O ATOM 1657 CB ALA A 103 -1.976 -12.958 1.034 1.00 12.13 C ATOM 0 H ALA A 103 -1.595 -14.805 -0.540 1.00 40.10 H new ATOM 0 HA ALA A 103 -0.101 -12.484 0.090 1.00 2.41 H new ATOM 0 HB1 ALA A 103 -1.907 -12.158 1.771 1.00 12.13 H new ATOM 0 HB2 ALA A 103 -2.561 -12.616 0.181 1.00 12.13 H new ATOM 0 HB3 ALA A 103 -2.462 -13.824 1.483 1.00 12.13 H new ATOM 1663 N MET A 104 0.248 -15.010 2.169 1.00 74.34 N ATOM 1664 CA MET A 104 1.071 -15.570 3.264 1.00 73.25 C ATOM 1665 C MET A 104 2.587 -15.580 2.930 1.00 2.52 C ATOM 1666 O MET A 104 3.420 -15.739 3.823 1.00 32.52 O ATOM 1667 CB MET A 104 0.586 -16.990 3.642 1.00 44.23 C ATOM 1668 CG MET A 104 0.739 -18.044 2.545 1.00 33.42 C ATOM 1669 SD MET A 104 0.171 -19.679 3.068 1.00 33.54 S ATOM 1670 CE MET A 104 -1.512 -19.341 3.599 1.00 23.11 C ATOM 0 H MET A 104 -0.390 -15.688 1.752 1.00 74.34 H new ATOM 0 HA MET A 104 0.942 -14.911 4.123 1.00 73.25 H new ATOM 0 HB2 MET A 104 1.137 -17.322 4.522 1.00 44.23 H new ATOM 0 HB3 MET A 104 -0.465 -16.934 3.926 1.00 44.23 H new ATOM 0 HG2 MET A 104 0.176 -17.732 1.665 1.00 33.42 H new ATOM 0 HG3 MET A 104 1.786 -18.105 2.248 1.00 33.42 H new ATOM 0 HE1 MET A 104 -1.953 -20.249 4.011 1.00 23.11 H new ATOM 0 HE2 MET A 104 -1.503 -18.563 4.362 1.00 23.11 H new ATOM 0 HE3 MET A 104 -2.102 -19.006 2.746 1.00 23.11 H new ATOM 1680 N ASP A 105 2.938 -15.503 1.641 1.00 0.41 N ATOM 1681 CA ASP A 105 4.340 -15.292 1.210 1.00 30.55 C ATOM 1682 C ASP A 105 4.698 -13.798 1.238 1.00 71.34 C ATOM 1683 O ASP A 105 5.853 -13.432 1.501 1.00 63.52 O ATOM 1684 CB ASP A 105 4.560 -15.865 -0.203 1.00 11.32 C ATOM 1685 CG ASP A 105 4.401 -17.388 -0.240 1.00 33.25 C ATOM 1686 OD1 ASP A 105 3.271 -17.874 -0.432 1.00 64.44 O ATOM 1687 OD2 ASP A 105 5.406 -18.108 -0.072 1.00 62.55 O ATOM 0 H ASP A 105 2.274 -15.583 0.871 1.00 0.41 H new ATOM 0 HA ASP A 105 4.994 -15.817 1.907 1.00 30.55 H new ATOM 0 HB2 ASP A 105 3.849 -15.410 -0.893 1.00 11.32 H new ATOM 0 HB3 ASP A 105 5.558 -15.597 -0.551 1.00 11.32 H new ATOM 1692 N VAL A 106 3.690 -12.944 0.998 1.00 23.55 N ATOM 1693 CA VAL A 106 3.876 -11.495 0.830 1.00 54.43 C ATOM 1694 C VAL A 106 4.054 -10.805 2.202 1.00 62.32 C ATOM 1695 O VAL A 106 4.839 -9.851 2.320 1.00 44.01 O ATOM 1696 CB VAL A 106 2.661 -10.879 0.033 1.00 71.54 C ATOM 1697 CG1 VAL A 106 2.742 -9.347 -0.038 1.00 52.22 C ATOM 1698 CG2 VAL A 106 2.576 -11.487 -1.392 1.00 54.10 C ATOM 0 H VAL A 106 2.718 -13.242 0.915 1.00 23.55 H new ATOM 0 HA VAL A 106 4.784 -11.322 0.253 1.00 54.43 H new ATOM 0 HB VAL A 106 1.752 -11.134 0.577 1.00 71.54 H new ATOM 0 HG11 VAL A 106 1.887 -8.963 -0.595 1.00 52.22 H new ATOM 0 HG12 VAL A 106 2.733 -8.935 0.971 1.00 52.22 H new ATOM 0 HG13 VAL A 106 3.664 -9.054 -0.541 1.00 52.22 H new ATOM 0 HG21 VAL A 106 1.732 -11.049 -1.925 1.00 54.10 H new ATOM 0 HG22 VAL A 106 3.497 -11.274 -1.934 1.00 54.10 H new ATOM 0 HG23 VAL A 106 2.439 -12.566 -1.320 1.00 54.10 H new ATOM 1708 N TYR A 107 3.348 -11.322 3.236 1.00 32.22 N ATOM 1709 CA TYR A 107 3.470 -10.826 4.624 1.00 61.22 C ATOM 1710 C TYR A 107 4.906 -11.082 5.130 1.00 51.12 C ATOM 1711 O TYR A 107 5.474 -10.272 5.865 1.00 71.21 O ATOM 1712 CB TYR A 107 2.392 -11.486 5.581 1.00 22.24 C ATOM 1713 CG TYR A 107 2.917 -12.572 6.555 1.00 63.04 C ATOM 1714 CD1 TYR A 107 3.105 -13.881 6.134 1.00 1.13 C ATOM 1715 CD2 TYR A 107 3.261 -12.270 7.878 1.00 22.13 C ATOM 1716 CE1 TYR A 107 3.609 -14.852 6.977 1.00 1.22 C ATOM 1717 CE2 TYR A 107 3.757 -13.240 8.728 1.00 41.32 C ATOM 1718 CZ TYR A 107 3.937 -14.524 8.270 1.00 65.13 C ATOM 1719 OH TYR A 107 4.434 -15.490 9.123 1.00 20.30 O ATOM 0 H TYR A 107 2.683 -12.089 3.131 1.00 32.22 H new ATOM 0 HA TYR A 107 3.274 -9.754 4.632 1.00 61.22 H new ATOM 0 HB2 TYR A 107 1.925 -10.695 6.168 1.00 22.24 H new ATOM 0 HB3 TYR A 107 1.610 -11.928 4.963 1.00 22.24 H new ATOM 0 HD1 TYR A 107 2.850 -14.148 5.119 1.00 1.13 H new ATOM 0 HD2 TYR A 107 3.136 -11.260 8.241 1.00 22.13 H new ATOM 0 HE1 TYR A 107 3.744 -15.863 6.622 1.00 1.22 H new ATOM 0 HE2 TYR A 107 4.003 -12.990 9.750 1.00 41.32 H new ATOM 0 HH TYR A 107 3.714 -16.105 9.376 1.00 20.30 H new ATOM 1729 N GLN A 108 5.460 -12.243 4.703 1.00 51.20 N ATOM 1730 CA GLN A 108 6.804 -12.698 5.063 1.00 4.25 C ATOM 1731 C GLN A 108 7.824 -11.730 4.453 1.00 4.41 C ATOM 1732 O GLN A 108 8.728 -11.276 5.143 1.00 51.03 O ATOM 1733 CB GLN A 108 6.998 -14.171 4.563 1.00 54.14 C ATOM 1734 CG GLN A 108 8.159 -14.977 5.204 1.00 74.51 C ATOM 1735 CD GLN A 108 9.558 -14.631 4.675 1.00 43.54 C ATOM 1736 OE1 GLN A 108 10.049 -15.237 3.722 1.00 45.14 O ATOM 1737 NE2 GLN A 108 10.187 -13.632 5.261 1.00 24.31 N ATOM 0 H GLN A 108 4.968 -12.892 4.089 1.00 51.20 H new ATOM 0 HA GLN A 108 6.949 -12.701 6.143 1.00 4.25 H new ATOM 0 HB2 GLN A 108 6.069 -14.715 4.737 1.00 54.14 H new ATOM 0 HB3 GLN A 108 7.155 -14.146 3.485 1.00 54.14 H new ATOM 0 HG2 GLN A 108 8.144 -14.813 6.282 1.00 74.51 H new ATOM 0 HG3 GLN A 108 7.978 -16.039 5.041 1.00 74.51 H new ATOM 0 HE21 GLN A 108 9.755 -13.149 6.049 1.00 24.31 H new ATOM 0 HE22 GLN A 108 11.106 -13.342 4.927 1.00 24.31 H new ATOM 1746 N LYS A 109 7.626 -11.403 3.158 1.00 73.43 N ATOM 1747 CA LYS A 109 8.445 -10.416 2.433 1.00 44.45 C ATOM 1748 C LYS A 109 8.344 -9.004 3.037 1.00 32.25 C ATOM 1749 O LYS A 109 9.315 -8.254 3.006 1.00 13.31 O ATOM 1750 CB LYS A 109 8.064 -10.393 0.925 1.00 21.30 C ATOM 1751 CG LYS A 109 8.493 -11.658 0.151 1.00 14.11 C ATOM 1752 CD LYS A 109 10.019 -11.924 0.240 1.00 12.34 C ATOM 1753 CE LYS A 109 10.873 -10.765 -0.319 1.00 33.12 C ATOM 1754 NZ LYS A 109 12.328 -10.981 -0.099 1.00 51.04 N ATOM 0 H LYS A 109 6.890 -11.819 2.587 1.00 73.43 H new ATOM 0 HA LYS A 109 9.484 -10.730 2.535 1.00 44.45 H new ATOM 0 HB2 LYS A 109 6.984 -10.273 0.835 1.00 21.30 H new ATOM 0 HB3 LYS A 109 8.522 -9.521 0.458 1.00 21.30 H new ATOM 0 HG2 LYS A 109 7.954 -12.520 0.544 1.00 14.11 H new ATOM 0 HG3 LYS A 109 8.207 -11.554 -0.896 1.00 14.11 H new ATOM 0 HD2 LYS A 109 10.291 -12.097 1.281 1.00 12.34 H new ATOM 0 HD3 LYS A 109 10.255 -12.837 -0.307 1.00 12.34 H new ATOM 0 HE2 LYS A 109 10.681 -10.657 -1.386 1.00 33.12 H new ATOM 0 HE3 LYS A 109 10.570 -9.832 0.155 1.00 33.12 H new ATOM 0 HZ1 LYS A 109 12.866 -10.523 -0.862 1.00 51.04 H new ATOM 0 HZ2 LYS A 109 12.606 -10.570 0.815 1.00 51.04 H new ATOM 0 HZ3 LYS A 109 12.531 -12.001 -0.096 1.00 51.04 H new ATOM 1768 N ALA A 110 7.167 -8.671 3.577 1.00 50.53 N ATOM 1769 CA ALA A 110 6.919 -7.384 4.242 1.00 45.34 C ATOM 1770 C ALA A 110 7.715 -7.278 5.572 1.00 24.33 C ATOM 1771 O ALA A 110 8.341 -6.248 5.849 1.00 32.41 O ATOM 1772 CB ALA A 110 5.408 -7.221 4.453 1.00 54.45 C ATOM 0 H ALA A 110 6.355 -9.288 3.566 1.00 50.53 H new ATOM 0 HA ALA A 110 7.273 -6.568 3.612 1.00 45.34 H new ATOM 0 HB1 ALA A 110 5.210 -6.269 4.946 1.00 54.45 H new ATOM 0 HB2 ALA A 110 4.902 -7.242 3.488 1.00 54.45 H new ATOM 0 HB3 ALA A 110 5.038 -8.036 5.075 1.00 54.45 H new ATOM 1778 N LEU A 111 7.699 -8.371 6.372 1.00 64.41 N ATOM 1779 CA LEU A 111 8.499 -8.484 7.623 1.00 3.13 C ATOM 1780 C LEU A 111 10.008 -8.560 7.315 1.00 72.33 C ATOM 1781 O LEU A 111 10.843 -8.105 8.109 1.00 30.33 O ATOM 1782 CB LEU A 111 8.097 -9.750 8.420 1.00 13.04 C ATOM 1783 CG LEU A 111 6.627 -9.839 8.922 1.00 11.32 C ATOM 1784 CD1 LEU A 111 6.376 -11.203 9.586 1.00 35.01 C ATOM 1785 CD2 LEU A 111 6.275 -8.680 9.877 1.00 4.20 C ATOM 0 H LEU A 111 7.135 -9.197 6.173 1.00 64.41 H new ATOM 0 HA LEU A 111 8.294 -7.592 8.215 1.00 3.13 H new ATOM 0 HB2 LEU A 111 8.293 -10.620 7.793 1.00 13.04 H new ATOM 0 HB3 LEU A 111 8.755 -9.827 9.286 1.00 13.04 H new ATOM 0 HG LEU A 111 5.970 -9.746 8.057 1.00 11.32 H new ATOM 0 HD11 LEU A 111 5.344 -11.254 9.934 1.00 35.01 H new ATOM 0 HD12 LEU A 111 6.555 -11.998 8.862 1.00 35.01 H new ATOM 0 HD13 LEU A 111 7.051 -11.325 10.433 1.00 35.01 H new ATOM 0 HD21 LEU A 111 5.240 -8.780 10.204 1.00 4.20 H new ATOM 0 HD22 LEU A 111 6.934 -8.710 10.744 1.00 4.20 H new ATOM 0 HD23 LEU A 111 6.402 -7.730 9.358 1.00 4.20 H new ATOM 1797 N ASP A 112 10.325 -9.174 6.161 1.00 63.44 N ATOM 1798 CA ASP A 112 11.700 -9.348 5.650 1.00 14.23 C ATOM 1799 C ASP A 112 12.363 -7.979 5.411 1.00 1.00 C ATOM 1800 O ASP A 112 13.585 -7.837 5.548 1.00 61.43 O ATOM 1801 CB ASP A 112 11.661 -10.212 4.349 1.00 23.04 C ATOM 1802 CG ASP A 112 13.022 -10.399 3.652 1.00 13.30 C ATOM 1803 OD1 ASP A 112 13.884 -11.109 4.201 1.00 42.22 O ATOM 1804 OD2 ASP A 112 13.228 -9.841 2.551 1.00 54.44 O ATOM 0 H ASP A 112 9.618 -9.572 5.543 1.00 63.44 H new ATOM 0 HA ASP A 112 12.305 -9.871 6.390 1.00 14.23 H new ATOM 0 HB2 ASP A 112 11.257 -11.194 4.595 1.00 23.04 H new ATOM 0 HB3 ASP A 112 10.969 -9.750 3.645 1.00 23.04 H new ATOM 1809 N LEU A 113 11.531 -6.970 5.092 1.00 72.43 N ATOM 1810 CA LEU A 113 11.970 -5.571 4.967 1.00 22.15 C ATOM 1811 C LEU A 113 12.278 -4.987 6.361 1.00 43.11 C ATOM 1812 O LEU A 113 13.386 -4.487 6.593 1.00 22.40 O ATOM 1813 CB LEU A 113 10.887 -4.730 4.240 1.00 71.43 C ATOM 1814 CG LEU A 113 10.432 -5.270 2.849 1.00 41.25 C ATOM 1815 CD1 LEU A 113 9.352 -4.376 2.232 1.00 35.42 C ATOM 1816 CD2 LEU A 113 11.628 -5.466 1.887 1.00 34.33 C ATOM 0 H LEU A 113 10.536 -7.104 4.914 1.00 72.43 H new ATOM 0 HA LEU A 113 12.882 -5.536 4.371 1.00 22.15 H new ATOM 0 HB2 LEU A 113 10.012 -4.661 4.886 1.00 71.43 H new ATOM 0 HB3 LEU A 113 11.267 -3.717 4.109 1.00 71.43 H new ATOM 0 HG LEU A 113 9.992 -6.254 3.012 1.00 41.25 H new ATOM 0 HD11 LEU A 113 9.056 -4.779 1.263 1.00 35.42 H new ATOM 0 HD12 LEU A 113 8.485 -4.344 2.892 1.00 35.42 H new ATOM 0 HD13 LEU A 113 9.745 -3.368 2.101 1.00 35.42 H new ATOM 0 HD21 LEU A 113 11.267 -5.843 0.930 1.00 34.33 H new ATOM 0 HD22 LEU A 113 12.132 -4.512 1.734 1.00 34.33 H new ATOM 0 HD23 LEU A 113 12.328 -6.181 2.318 1.00 34.33 H new ATOM 1828 N ASP A 114 11.288 -5.068 7.285 1.00 71.23 N ATOM 1829 CA ASP A 114 11.462 -4.642 8.695 1.00 52.15 C ATOM 1830 C ASP A 114 10.311 -5.194 9.564 1.00 41.10 C ATOM 1831 O ASP A 114 9.163 -5.277 9.112 1.00 50.21 O ATOM 1832 CB ASP A 114 11.542 -3.091 8.815 1.00 42.11 C ATOM 1833 CG ASP A 114 12.050 -2.617 10.192 1.00 11.42 C ATOM 1834 OD1 ASP A 114 13.277 -2.496 10.375 1.00 12.04 O ATOM 1835 OD2 ASP A 114 11.230 -2.372 11.094 1.00 32.32 O ATOM 0 H ASP A 114 10.356 -5.427 7.076 1.00 71.23 H new ATOM 0 HA ASP A 114 12.406 -5.050 9.057 1.00 52.15 H new ATOM 0 HB2 ASP A 114 12.203 -2.706 8.038 1.00 42.11 H new ATOM 0 HB3 ASP A 114 10.555 -2.667 8.633 1.00 42.11 H new ATOM 1840 N SER A 115 10.632 -5.503 10.839 1.00 0.54 N ATOM 1841 CA SER A 115 9.697 -6.117 11.804 1.00 75.12 C ATOM 1842 C SER A 115 8.508 -5.187 12.140 1.00 4.35 C ATOM 1843 O SER A 115 7.411 -5.664 12.442 1.00 43.31 O ATOM 1844 CB SER A 115 10.462 -6.522 13.088 1.00 73.14 C ATOM 1845 OG SER A 115 11.159 -5.422 13.657 1.00 61.12 O ATOM 0 H SER A 115 11.558 -5.331 11.230 1.00 0.54 H new ATOM 0 HA SER A 115 9.275 -7.008 11.340 1.00 75.12 H new ATOM 0 HB2 SER A 115 9.759 -6.924 13.818 1.00 73.14 H new ATOM 0 HB3 SER A 115 11.169 -7.318 12.854 1.00 73.14 H new ATOM 0 HG SER A 115 11.628 -5.715 14.466 1.00 61.12 H new ATOM 1851 N SER A 116 8.722 -3.854 12.009 1.00 53.11 N ATOM 1852 CA SER A 116 7.676 -2.821 12.213 1.00 13.43 C ATOM 1853 C SER A 116 6.522 -2.964 11.189 1.00 53.10 C ATOM 1854 O SER A 116 5.511 -2.263 11.270 1.00 21.34 O ATOM 1855 CB SER A 116 8.307 -1.408 12.124 1.00 11.15 C ATOM 1856 OG SER A 116 7.389 -0.373 12.457 1.00 23.10 O ATOM 0 H SER A 116 9.630 -3.464 11.757 1.00 53.11 H new ATOM 0 HA SER A 116 7.250 -2.964 13.206 1.00 13.43 H new ATOM 0 HB2 SER A 116 9.165 -1.355 12.794 1.00 11.15 H new ATOM 0 HB3 SER A 116 8.681 -1.245 11.113 1.00 11.15 H new ATOM 0 HG SER A 116 6.473 -0.686 12.304 1.00 23.10 H new ATOM 1862 N CYS A 117 6.696 -3.880 10.224 1.00 3.34 N ATOM 1863 CA CYS A 117 5.643 -4.321 9.314 1.00 32.20 C ATOM 1864 C CYS A 117 4.710 -5.383 9.968 1.00 35.40 C ATOM 1865 O CYS A 117 4.031 -6.126 9.250 1.00 73.31 O ATOM 1866 CB CYS A 117 6.264 -4.862 8.024 1.00 42.11 C ATOM 1867 SG CYS A 117 5.062 -5.100 6.713 1.00 32.51 S ATOM 0 H CYS A 117 7.591 -4.340 10.056 1.00 3.34 H new ATOM 0 HA CYS A 117 5.021 -3.457 9.078 1.00 32.20 H new ATOM 0 HB2 CYS A 117 7.035 -4.172 7.681 1.00 42.11 H new ATOM 0 HB3 CYS A 117 6.756 -5.811 8.235 1.00 42.11 H new ATOM 0 HG CYS A 117 4.048 -5.773 7.171 1.00 32.51 H new ATOM 1873 N LYS A 118 4.733 -5.505 11.327 1.00 54.40 N ATOM 1874 CA LYS A 118 3.785 -6.374 12.111 1.00 72.33 C ATOM 1875 C LYS A 118 2.311 -6.353 11.610 1.00 63.03 C ATOM 1876 O LYS A 118 1.600 -7.331 11.807 1.00 63.33 O ATOM 1877 CB LYS A 118 3.772 -5.970 13.617 1.00 41.51 C ATOM 1878 CG LYS A 118 5.070 -6.246 14.402 1.00 31.11 C ATOM 1879 CD LYS A 118 5.497 -7.733 14.382 1.00 22.32 C ATOM 1880 CE LYS A 118 4.453 -8.674 15.013 1.00 54.14 C ATOM 1881 NZ LYS A 118 4.883 -10.092 14.943 1.00 50.32 N ATOM 0 H LYS A 118 5.404 -5.009 11.914 1.00 54.40 H new ATOM 0 HA LYS A 118 4.172 -7.383 11.964 1.00 72.33 H new ATOM 0 HB2 LYS A 118 3.549 -4.905 13.685 1.00 41.51 H new ATOM 0 HB3 LYS A 118 2.955 -6.499 14.108 1.00 41.51 H new ATOM 0 HG2 LYS A 118 5.874 -5.639 13.985 1.00 31.11 H new ATOM 0 HG3 LYS A 118 4.935 -5.929 15.436 1.00 31.11 H new ATOM 0 HD2 LYS A 118 5.676 -8.039 13.351 1.00 22.32 H new ATOM 0 HD3 LYS A 118 6.442 -7.840 14.915 1.00 22.32 H new ATOM 0 HE2 LYS A 118 4.291 -8.393 16.054 1.00 54.14 H new ATOM 0 HE3 LYS A 118 3.499 -8.557 14.499 1.00 54.14 H new ATOM 0 HZ1 LYS A 118 4.157 -10.697 15.377 1.00 50.32 H new ATOM 0 HZ2 LYS A 118 5.013 -10.367 13.948 1.00 50.32 H new ATOM 0 HZ3 LYS A 118 5.781 -10.208 15.455 1.00 50.32 H new ATOM 1895 N GLU A 119 1.874 -5.247 10.976 1.00 14.11 N ATOM 1896 CA GLU A 119 0.520 -5.114 10.386 1.00 51.13 C ATOM 1897 C GLU A 119 0.224 -6.234 9.343 1.00 5.51 C ATOM 1898 O GLU A 119 -0.918 -6.694 9.219 1.00 42.54 O ATOM 1899 CB GLU A 119 0.361 -3.706 9.754 1.00 32.15 C ATOM 1900 CG GLU A 119 1.436 -3.357 8.699 1.00 54.44 C ATOM 1901 CD GLU A 119 1.245 -1.970 8.061 1.00 40.42 C ATOM 1902 OE1 GLU A 119 0.399 -1.833 7.146 1.00 50.10 O ATOM 1903 OE2 GLU A 119 1.918 -1.002 8.481 1.00 12.05 O ATOM 0 H GLU A 119 2.451 -4.414 10.856 1.00 14.11 H new ATOM 0 HA GLU A 119 -0.211 -5.231 11.186 1.00 51.13 H new ATOM 0 HB2 GLU A 119 -0.623 -3.638 9.289 1.00 32.15 H new ATOM 0 HB3 GLU A 119 0.391 -2.959 10.547 1.00 32.15 H new ATOM 0 HG2 GLU A 119 2.420 -3.400 9.167 1.00 54.44 H new ATOM 0 HG3 GLU A 119 1.422 -4.114 7.914 1.00 54.44 H new ATOM 1910 N ALA A 120 1.272 -6.674 8.624 1.00 10.40 N ATOM 1911 CA ALA A 120 1.208 -7.828 7.706 1.00 4.14 C ATOM 1912 C ALA A 120 1.084 -9.162 8.482 1.00 24.02 C ATOM 1913 O ALA A 120 0.448 -10.105 7.996 1.00 65.11 O ATOM 1914 CB ALA A 120 2.450 -7.850 6.797 1.00 22.35 C ATOM 0 H ALA A 120 2.193 -6.237 8.663 1.00 10.40 H new ATOM 0 HA ALA A 120 0.316 -7.719 7.089 1.00 4.14 H new ATOM 0 HB1 ALA A 120 2.393 -8.705 6.124 1.00 22.35 H new ATOM 0 HB2 ALA A 120 2.490 -6.930 6.213 1.00 22.35 H new ATOM 0 HB3 ALA A 120 3.348 -7.930 7.410 1.00 22.35 H new ATOM 1920 N ALA A 121 1.678 -9.224 9.698 1.00 4.43 N ATOM 1921 CA ALA A 121 1.625 -10.428 10.562 1.00 34.00 C ATOM 1922 C ALA A 121 0.215 -10.590 11.153 1.00 12.22 C ATOM 1923 O ALA A 121 -0.327 -11.691 11.187 1.00 53.31 O ATOM 1924 CB ALA A 121 2.701 -10.352 11.659 1.00 21.31 C ATOM 0 H ALA A 121 2.202 -8.449 10.104 1.00 4.43 H new ATOM 0 HA ALA A 121 1.838 -11.312 9.960 1.00 34.00 H new ATOM 0 HB1 ALA A 121 2.647 -11.244 12.284 1.00 21.31 H new ATOM 0 HB2 ALA A 121 3.687 -10.290 11.198 1.00 21.31 H new ATOM 0 HB3 ALA A 121 2.532 -9.468 12.274 1.00 21.31 H new ATOM 1930 N ASP A 122 -0.367 -9.458 11.572 1.00 13.22 N ATOM 1931 CA ASP A 122 -1.781 -9.346 11.976 1.00 22.52 C ATOM 1932 C ASP A 122 -2.691 -9.808 10.821 1.00 52.45 C ATOM 1933 O ASP A 122 -3.623 -10.607 11.017 1.00 44.22 O ATOM 1934 CB ASP A 122 -2.074 -7.867 12.375 1.00 33.43 C ATOM 1935 CG ASP A 122 -3.570 -7.542 12.584 1.00 1.33 C ATOM 1936 OD1 ASP A 122 -4.122 -7.875 13.650 1.00 63.01 O ATOM 1937 OD2 ASP A 122 -4.197 -6.937 11.680 1.00 2.55 O ATOM 0 H ASP A 122 0.139 -8.575 11.642 1.00 13.22 H new ATOM 0 HA ASP A 122 -1.983 -9.987 12.835 1.00 22.52 H new ATOM 0 HB2 ASP A 122 -1.534 -7.639 13.294 1.00 33.43 H new ATOM 0 HB3 ASP A 122 -1.678 -7.210 11.601 1.00 33.43 H new ATOM 1942 N GLY A 123 -2.368 -9.312 9.611 1.00 74.34 N ATOM 1943 CA GLY A 123 -3.073 -9.673 8.386 1.00 32.11 C ATOM 1944 C GLY A 123 -2.894 -11.141 7.996 1.00 10.03 C ATOM 1945 O GLY A 123 -3.760 -11.701 7.325 1.00 15.52 O ATOM 0 H GLY A 123 -1.607 -8.648 9.465 1.00 74.34 H new ATOM 0 HA2 GLY A 123 -4.135 -9.464 8.511 1.00 32.11 H new ATOM 0 HA3 GLY A 123 -2.718 -9.042 7.571 1.00 32.11 H new ATOM 1949 N TYR A 124 -1.756 -11.757 8.411 1.00 45.44 N ATOM 1950 CA TYR A 124 -1.473 -13.188 8.168 1.00 53.33 C ATOM 1951 C TYR A 124 -2.473 -14.087 8.893 1.00 74.45 C ATOM 1952 O TYR A 124 -3.068 -14.943 8.251 1.00 41.22 O ATOM 1953 CB TYR A 124 -0.034 -13.555 8.592 1.00 60.44 C ATOM 1954 CG TYR A 124 0.320 -15.060 8.510 1.00 50.34 C ATOM 1955 CD1 TYR A 124 0.127 -15.799 7.334 1.00 51.01 C ATOM 1956 CD2 TYR A 124 0.868 -15.732 9.608 1.00 24.05 C ATOM 1957 CE1 TYR A 124 0.465 -17.144 7.270 1.00 13.10 C ATOM 1958 CE2 TYR A 124 1.201 -17.068 9.542 1.00 53.14 C ATOM 1959 CZ TYR A 124 1.000 -17.768 8.377 1.00 0.32 C ATOM 1960 OH TYR A 124 1.345 -19.103 8.315 1.00 23.34 O ATOM 0 H TYR A 124 -1.016 -11.275 8.920 1.00 45.44 H new ATOM 0 HA TYR A 124 -1.574 -13.354 7.095 1.00 53.33 H new ATOM 0 HB2 TYR A 124 0.664 -13.000 7.965 1.00 60.44 H new ATOM 0 HB3 TYR A 124 0.122 -13.218 9.617 1.00 60.44 H new ATOM 0 HD1 TYR A 124 -0.291 -15.314 6.464 1.00 51.01 H new ATOM 0 HD2 TYR A 124 1.034 -15.192 10.528 1.00 24.05 H new ATOM 0 HE1 TYR A 124 0.310 -17.699 6.357 1.00 13.10 H new ATOM 0 HE2 TYR A 124 1.620 -17.564 10.405 1.00 53.14 H new ATOM 0 HH TYR A 124 1.709 -19.387 9.179 1.00 23.34 H new ATOM 1970 N GLN A 125 -2.646 -13.894 10.222 1.00 43.43 N ATOM 1971 CA GLN A 125 -3.628 -14.671 11.028 1.00 53.41 C ATOM 1972 C GLN A 125 -5.026 -14.650 10.371 1.00 5.35 C ATOM 1973 O GLN A 125 -5.707 -15.673 10.327 1.00 74.42 O ATOM 1974 CB GLN A 125 -3.702 -14.137 12.490 1.00 25.52 C ATOM 1975 CG GLN A 125 -2.624 -14.685 13.451 1.00 72.33 C ATOM 1976 CD GLN A 125 -1.195 -14.474 12.965 1.00 1.02 C ATOM 1977 OE1 GLN A 125 -0.607 -15.331 12.311 1.00 52.02 O ATOM 1978 NE2 GLN A 125 -0.642 -13.319 13.241 1.00 21.25 N ATOM 0 H GLN A 125 -2.120 -13.207 10.762 1.00 43.43 H new ATOM 0 HA GLN A 125 -3.283 -15.704 11.061 1.00 53.41 H new ATOM 0 HB2 GLN A 125 -3.624 -13.050 12.466 1.00 25.52 H new ATOM 0 HB3 GLN A 125 -4.684 -14.378 12.897 1.00 25.52 H new ATOM 0 HG2 GLN A 125 -2.741 -14.206 14.423 1.00 72.33 H new ATOM 0 HG3 GLN A 125 -2.793 -15.752 13.599 1.00 72.33 H new ATOM 0 HE21 GLN A 125 -1.154 -12.626 13.786 1.00 21.25 H new ATOM 0 HE22 GLN A 125 0.301 -13.113 12.910 1.00 21.25 H new ATOM 1987 N ARG A 126 -5.386 -13.480 9.823 1.00 23.33 N ATOM 1988 CA ARG A 126 -6.624 -13.268 9.058 1.00 52.45 C ATOM 1989 C ARG A 126 -6.600 -14.027 7.698 1.00 53.31 C ATOM 1990 O ARG A 126 -7.604 -14.625 7.302 1.00 24.14 O ATOM 1991 CB ARG A 126 -6.817 -11.742 8.840 1.00 11.24 C ATOM 1992 CG ARG A 126 -8.011 -11.347 7.942 1.00 73.51 C ATOM 1993 CD ARG A 126 -8.225 -9.823 7.866 1.00 71.20 C ATOM 1994 NE ARG A 126 -9.243 -9.488 6.856 1.00 1.24 N ATOM 1995 CZ ARG A 126 -10.399 -8.853 7.070 1.00 63.53 C ATOM 1996 NH1 ARG A 126 -10.752 -8.451 8.284 1.00 24.12 N ATOM 1997 NH2 ARG A 126 -11.204 -8.628 6.047 1.00 51.30 N ATOM 0 H ARG A 126 -4.814 -12.639 9.900 1.00 23.33 H new ATOM 0 HA ARG A 126 -7.464 -13.670 9.624 1.00 52.45 H new ATOM 0 HB2 ARG A 126 -6.943 -11.266 9.813 1.00 11.24 H new ATOM 0 HB3 ARG A 126 -5.905 -11.336 8.402 1.00 11.24 H new ATOM 0 HG2 ARG A 126 -7.848 -11.737 6.937 1.00 73.51 H new ATOM 0 HG3 ARG A 126 -8.917 -11.818 8.323 1.00 73.51 H new ATOM 0 HD2 ARG A 126 -8.535 -9.446 8.840 1.00 71.20 H new ATOM 0 HD3 ARG A 126 -7.284 -9.331 7.618 1.00 71.20 H new ATOM 0 HE ARG A 126 -9.046 -9.769 5.896 1.00 1.24 H new ATOM 0 HH11 ARG A 126 -10.136 -8.625 9.078 1.00 24.12 H new ATOM 0 HH12 ARG A 126 -11.640 -7.968 8.423 1.00 24.12 H new ATOM 0 HH21 ARG A 126 -10.939 -8.938 5.112 1.00 51.30 H new ATOM 0 HH22 ARG A 126 -12.090 -8.145 6.192 1.00 51.30 H new ATOM 2011 N CYS A 127 -5.427 -14.038 7.034 1.00 22.51 N ATOM 2012 CA CYS A 127 -5.259 -14.565 5.661 1.00 34.01 C ATOM 2013 C CYS A 127 -5.331 -16.103 5.639 1.00 1.55 C ATOM 2014 O CYS A 127 -6.093 -16.688 4.860 1.00 61.00 O ATOM 2015 CB CYS A 127 -3.904 -14.076 5.093 1.00 34.52 C ATOM 2016 SG CYS A 127 -3.451 -14.777 3.497 1.00 60.24 S ATOM 0 H CYS A 127 -4.562 -13.679 7.437 1.00 22.51 H new ATOM 0 HA CYS A 127 -6.073 -14.193 5.039 1.00 34.01 H new ATOM 0 HB2 CYS A 127 -3.936 -12.990 5.000 1.00 34.52 H new ATOM 0 HB3 CYS A 127 -3.119 -14.311 5.812 1.00 34.52 H new ATOM 0 HG CYS A 127 -2.678 -15.806 3.679 1.00 60.24 H new ATOM 2022 N MET A 128 -4.540 -16.741 6.519 1.00 42.42 N ATOM 2023 CA MET A 128 -4.479 -18.207 6.631 1.00 3.33 C ATOM 2024 C MET A 128 -5.831 -18.788 7.094 1.00 32.33 C ATOM 2025 O MET A 128 -6.306 -19.762 6.516 1.00 21.43 O ATOM 2026 CB MET A 128 -3.326 -18.655 7.578 1.00 25.52 C ATOM 2027 CG MET A 128 -3.352 -18.051 8.990 1.00 14.12 C ATOM 2028 SD MET A 128 -2.147 -18.808 10.097 1.00 70.44 S ATOM 2029 CE MET A 128 -2.862 -20.438 10.314 1.00 73.14 C ATOM 0 H MET A 128 -3.926 -16.254 7.172 1.00 42.42 H new ATOM 0 HA MET A 128 -4.267 -18.603 5.638 1.00 3.33 H new ATOM 0 HB2 MET A 128 -3.354 -19.741 7.667 1.00 25.52 H new ATOM 0 HB3 MET A 128 -2.376 -18.398 7.110 1.00 25.52 H new ATOM 0 HG2 MET A 128 -3.157 -16.980 8.926 1.00 14.12 H new ATOM 0 HG3 MET A 128 -4.350 -18.168 9.412 1.00 14.12 H new ATOM 0 HE1 MET A 128 -2.471 -20.888 11.226 1.00 73.14 H new ATOM 0 HE2 MET A 128 -3.946 -20.353 10.388 1.00 73.14 H new ATOM 0 HE3 MET A 128 -2.604 -21.065 9.460 1.00 73.14 H new ATOM 2039 N MET A 129 -6.475 -18.151 8.105 1.00 12.11 N ATOM 2040 CA MET A 129 -7.766 -18.643 8.643 1.00 41.00 C ATOM 2041 C MET A 129 -8.902 -18.484 7.615 1.00 43.32 C ATOM 2042 O MET A 129 -9.868 -19.240 7.651 1.00 12.40 O ATOM 2043 CB MET A 129 -8.163 -17.935 9.975 1.00 45.43 C ATOM 2044 CG MET A 129 -8.745 -16.510 9.834 1.00 52.41 C ATOM 2045 SD MET A 129 -9.418 -15.861 11.379 1.00 63.24 S ATOM 2046 CE MET A 129 -10.808 -16.958 11.671 1.00 62.31 C ATOM 0 H MET A 129 -6.126 -17.307 8.558 1.00 12.11 H new ATOM 0 HA MET A 129 -7.621 -19.703 8.853 1.00 41.00 H new ATOM 0 HB2 MET A 129 -8.895 -18.557 10.490 1.00 45.43 H new ATOM 0 HB3 MET A 129 -7.282 -17.885 10.614 1.00 45.43 H new ATOM 0 HG2 MET A 129 -7.964 -15.839 9.475 1.00 52.41 H new ATOM 0 HG3 MET A 129 -9.530 -16.518 9.078 1.00 52.41 H new ATOM 0 HE1 MET A 129 -11.507 -16.484 12.359 1.00 62.31 H new ATOM 0 HE2 MET A 129 -11.312 -17.166 10.727 1.00 62.31 H new ATOM 0 HE3 MET A 129 -10.450 -17.892 12.104 1.00 62.31 H new ATOM 2056 N ALA A 130 -8.758 -17.501 6.700 1.00 13.53 N ATOM 2057 CA ALA A 130 -9.792 -17.150 5.705 1.00 42.12 C ATOM 2058 C ALA A 130 -10.054 -18.295 4.706 1.00 32.03 C ATOM 2059 O ALA A 130 -11.165 -18.425 4.188 1.00 4.12 O ATOM 2060 CB ALA A 130 -9.392 -15.871 4.961 1.00 15.24 C ATOM 0 H ALA A 130 -7.918 -16.927 6.631 1.00 13.53 H new ATOM 0 HA ALA A 130 -10.723 -16.979 6.246 1.00 42.12 H new ATOM 0 HB1 ALA A 130 -10.160 -15.620 4.230 1.00 15.24 H new ATOM 0 HB2 ALA A 130 -9.288 -15.053 5.674 1.00 15.24 H new ATOM 0 HB3 ALA A 130 -8.442 -16.029 4.450 1.00 15.24 H new ATOM 2066 N GLN A 131 -9.013 -19.100 4.427 1.00 13.43 N ATOM 2067 CA GLN A 131 -9.133 -20.327 3.602 1.00 42.42 C ATOM 2068 C GLN A 131 -9.349 -21.575 4.482 1.00 72.44 C ATOM 2069 O GLN A 131 -9.693 -22.645 3.971 1.00 64.14 O ATOM 2070 CB GLN A 131 -7.881 -20.511 2.693 1.00 21.14 C ATOM 2071 CG GLN A 131 -6.530 -20.320 3.401 1.00 32.24 C ATOM 2072 CD GLN A 131 -5.326 -20.559 2.492 1.00 31.32 C ATOM 2073 OE1 GLN A 131 -5.383 -20.335 1.285 1.00 72.22 O ATOM 2074 NE2 GLN A 131 -4.225 -21.002 3.068 1.00 43.11 N ATOM 0 H GLN A 131 -8.066 -18.924 4.763 1.00 13.43 H new ATOM 0 HA GLN A 131 -10.008 -20.209 2.963 1.00 42.42 H new ATOM 0 HB2 GLN A 131 -7.909 -21.511 2.260 1.00 21.14 H new ATOM 0 HB3 GLN A 131 -7.944 -19.804 1.866 1.00 21.14 H new ATOM 0 HG2 GLN A 131 -6.478 -19.307 3.800 1.00 32.24 H new ATOM 0 HG3 GLN A 131 -6.475 -21.001 4.250 1.00 32.24 H new ATOM 0 HE21 GLN A 131 -4.210 -21.178 4.073 1.00 43.11 H new ATOM 0 HE22 GLN A 131 -3.388 -21.168 2.509 1.00 43.11 H new ATOM 2083 N TYR A 132 -9.140 -21.436 5.806 1.00 11.43 N ATOM 2084 CA TYR A 132 -9.318 -22.540 6.778 1.00 11.25 C ATOM 2085 C TYR A 132 -10.651 -22.354 7.535 1.00 22.03 C ATOM 2086 O TYR A 132 -10.719 -22.505 8.759 1.00 2.54 O ATOM 2087 CB TYR A 132 -8.095 -22.618 7.758 1.00 4.02 C ATOM 2088 CG TYR A 132 -6.713 -22.811 7.088 1.00 2.20 C ATOM 2089 CD1 TYR A 132 -6.589 -23.236 5.759 1.00 71.03 C ATOM 2090 CD2 TYR A 132 -5.533 -22.539 7.788 1.00 23.33 C ATOM 2091 CE1 TYR A 132 -5.362 -23.372 5.157 1.00 62.04 C ATOM 2092 CE2 TYR A 132 -4.294 -22.682 7.188 1.00 74.22 C ATOM 2093 CZ TYR A 132 -4.213 -23.099 5.873 1.00 53.23 C ATOM 2094 OH TYR A 132 -2.983 -23.233 5.266 1.00 52.21 O ATOM 0 H TYR A 132 -8.844 -20.559 6.234 1.00 11.43 H new ATOM 0 HA TYR A 132 -9.360 -23.489 6.244 1.00 11.25 H new ATOM 0 HB2 TYR A 132 -8.067 -21.703 8.350 1.00 4.02 H new ATOM 0 HB3 TYR A 132 -8.261 -23.442 8.452 1.00 4.02 H new ATOM 0 HD1 TYR A 132 -7.481 -23.462 5.193 1.00 71.03 H new ATOM 0 HD2 TYR A 132 -5.590 -22.211 8.816 1.00 23.33 H new ATOM 0 HE1 TYR A 132 -5.296 -23.691 4.127 1.00 62.04 H new ATOM 0 HE2 TYR A 132 -3.394 -22.469 7.745 1.00 74.22 H new ATOM 0 HH TYR A 132 -2.276 -23.002 5.905 1.00 52.21 H new ATOM 2104 N ASN A 133 -11.710 -22.025 6.772 1.00 42.34 N ATOM 2105 CA ASN A 133 -13.086 -21.880 7.288 1.00 20.45 C ATOM 2106 C ASN A 133 -13.934 -23.083 6.816 1.00 32.12 C ATOM 2107 O ASN A 133 -14.429 -23.069 5.669 1.00 43.04 O ATOM 2108 CB ASN A 133 -13.701 -20.527 6.820 1.00 40.41 C ATOM 2109 CG ASN A 133 -12.999 -19.290 7.393 1.00 5.25 C ATOM 2110 OD1 ASN A 133 -12.506 -19.374 8.625 1.00 14.22 O flip ATOM 2111 ND2 ASN A 133 -12.920 -18.250 6.742 1.00 74.13 N flip ATOM 2112 OXT ASN A 133 -14.072 -24.064 7.578 1.00 38.42 O ATOM 0 H ASN A 133 -11.635 -21.850 5.770 1.00 42.34 H new ATOM 0 HA ASN A 133 -13.073 -21.871 8.378 1.00 20.45 H new ATOM 0 HB2 ASN A 133 -13.665 -20.481 5.732 1.00 40.41 H new ATOM 0 HB3 ASN A 133 -14.753 -20.500 7.105 1.00 40.41 H new ATOM 0 HD21 ASN A 133 -13.305 -18.208 5.798 1.00 74.13 H new ATOM 0 HD22 ASN A 133 -12.469 -17.429 7.145 1.00 74.13 H new TER 2119 ASN A 133