USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 856 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 94 ASN : amide:sc= 0.261 X(o=-0.55,f=-0.79) USER MOD Set 1.2: A 98 SER OG : rot 140:sc= -0.812 USER MOD Set 2.1: A 64 SER OG : rot -0:sc= 1.49 USER MOD Set 2.2: A 69 ASN : amide:sc= 1.04 K(o=2.5,f=1.9) USER MOD Single : A 1 MET CE :methyl -111:sc= -0.179 (180deg=-2.92!) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.101 (180deg=-0.00638) USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= -0.0228 (180deg=-0.281) USER MOD Single : A 7 HIS : no HE2:sc= -1.01! C(o=-1!,f=-6.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.476) USER MOD Single : A 25 CYS SG : rot 106:sc= 0.0558 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0409) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -2.46! C(o=-3.9!,f=-2.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 43 HIS : no HD1:sc=-0.00124 X(o=-0.0012,f=-0.12) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000574 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -73:sc= 0.132! USER MOD Single : A 57 ASN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 61 TYR OH : rot 24:sc= -1.48! USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0.343 (180deg=0.218) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= -0.103 (180deg=-0.606) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 1.32 (180deg=0.489) USER MOD Single : A 76 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.1) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.02) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.18) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0359 K(o=-0.036,f=-2.6!) USER MOD Single : A 91 TYR OH : rot 130:sc= -0.043 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0305) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.723 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.720 0.260 -2.921 1.00 72.33 N ATOM 2 CA MET A 1 2.138 -0.132 -1.619 1.00 60.40 C ATOM 3 C MET A 1 2.890 -1.321 -1.040 1.00 54.14 C ATOM 4 O MET A 1 3.637 -1.999 -1.748 1.00 21.30 O ATOM 5 CB MET A 1 0.656 -0.493 -1.780 1.00 75.13 C ATOM 6 CG MET A 1 0.418 -1.794 -2.537 1.00 54.04 C ATOM 7 SD MET A 1 -1.335 -2.192 -2.706 1.00 43.22 S ATOM 8 CE MET A 1 -1.880 -0.843 -3.750 1.00 0.31 C ATOM 0 H1 MET A 1 3.134 1.211 -2.844 1.00 72.33 H new ATOM 0 H2 MET A 1 3.460 -0.419 -3.189 1.00 72.33 H new ATOM 0 H3 MET A 1 1.975 0.265 -3.647 1.00 72.33 H new ATOM 0 HA MET A 1 2.226 0.715 -0.938 1.00 60.40 H new ATOM 0 HB2 MET A 1 0.201 -0.570 -0.792 1.00 75.13 H new ATOM 0 HB3 MET A 1 0.149 0.318 -2.302 1.00 75.13 H new ATOM 0 HG2 MET A 1 0.867 -1.720 -3.528 1.00 54.04 H new ATOM 0 HG3 MET A 1 0.923 -2.609 -2.018 1.00 54.04 H new ATOM 0 HE1 MET A 1 -2.528 -0.179 -3.178 1.00 0.31 H new ATOM 0 HE2 MET A 1 -1.014 -0.286 -4.107 1.00 0.31 H new ATOM 0 HE3 MET A 1 -2.431 -1.242 -4.602 1.00 0.31 H new ATOM 18 N LYS A 2 2.698 -1.564 0.244 1.00 2.25 N ATOM 19 CA LYS A 2 3.271 -2.725 0.903 1.00 0.30 C ATOM 20 C LYS A 2 2.232 -3.369 1.809 1.00 11.54 C ATOM 21 O LYS A 2 1.634 -2.703 2.655 1.00 21.33 O ATOM 22 CB LYS A 2 4.523 -2.344 1.704 1.00 23.31 C ATOM 23 CG LYS A 2 4.320 -1.162 2.641 1.00 51.43 C ATOM 24 CD LYS A 2 5.535 -0.927 3.519 1.00 51.31 C ATOM 25 CE LYS A 2 5.390 0.352 4.323 1.00 62.24 C ATOM 26 NZ LYS A 2 5.417 1.556 3.449 1.00 44.13 N ATOM 0 H LYS A 2 2.144 -0.966 0.857 1.00 2.25 H new ATOM 0 HA LYS A 2 3.571 -3.443 0.140 1.00 0.30 H new ATOM 0 HB2 LYS A 2 4.845 -3.206 2.288 1.00 23.31 H new ATOM 0 HB3 LYS A 2 5.330 -2.110 1.009 1.00 23.31 H new ATOM 0 HG2 LYS A 2 4.115 -0.265 2.056 1.00 51.43 H new ATOM 0 HG3 LYS A 2 3.447 -1.341 3.268 1.00 51.43 H new ATOM 0 HD2 LYS A 2 5.668 -1.772 4.195 1.00 51.31 H new ATOM 0 HD3 LYS A 2 6.430 -0.871 2.899 1.00 51.31 H new ATOM 0 HE2 LYS A 2 4.454 0.328 4.880 1.00 62.24 H new ATOM 0 HE3 LYS A 2 6.195 0.415 5.055 1.00 62.24 H new ATOM 0 HZ1 LYS A 2 5.588 2.402 4.029 1.00 44.13 H new ATOM 0 HZ2 LYS A 2 6.178 1.458 2.746 1.00 44.13 H new ATOM 0 HZ3 LYS A 2 4.504 1.651 2.960 1.00 44.13 H new ATOM 40 N GLY A 3 2.008 -4.656 1.614 1.00 33.13 N ATOM 41 CA GLY A 3 0.988 -5.350 2.365 1.00 42.32 C ATOM 42 C GLY A 3 -0.395 -5.071 1.814 1.00 42.14 C ATOM 43 O GLY A 3 -1.126 -4.234 2.343 1.00 23.14 O ATOM 0 H GLY A 3 2.517 -5.235 0.946 1.00 33.13 H new ATOM 0 HA2 GLY A 3 1.182 -6.422 2.338 1.00 42.32 H new ATOM 0 HA3 GLY A 3 1.033 -5.044 3.410 1.00 42.32 H new ATOM 47 N ASP A 4 -0.746 -5.771 0.745 1.00 63.52 N ATOM 48 CA ASP A 4 -2.026 -5.576 0.069 1.00 14.15 C ATOM 49 C ASP A 4 -3.205 -5.781 1.016 1.00 32.40 C ATOM 50 O ASP A 4 -3.252 -6.743 1.787 1.00 3.24 O ATOM 51 CB ASP A 4 -2.126 -6.522 -1.119 1.00 25.43 C ATOM 52 CG ASP A 4 -3.458 -6.435 -1.821 1.00 50.20 C ATOM 53 OD1 ASP A 4 -3.688 -5.444 -2.547 1.00 15.32 O ATOM 54 OD2 ASP A 4 -4.274 -7.357 -1.645 1.00 25.24 O ATOM 0 H ASP A 4 -0.157 -6.488 0.321 1.00 63.52 H new ATOM 0 HA ASP A 4 -2.070 -4.545 -0.282 1.00 14.15 H new ATOM 0 HB2 ASP A 4 -1.330 -6.294 -1.828 1.00 25.43 H new ATOM 0 HB3 ASP A 4 -1.965 -7.545 -0.778 1.00 25.43 H new ATOM 59 N ILE A 5 -4.156 -4.865 0.935 1.00 12.31 N ATOM 60 CA ILE A 5 -5.284 -4.831 1.851 1.00 21.01 C ATOM 61 C ILE A 5 -6.255 -5.990 1.596 1.00 33.53 C ATOM 62 O ILE A 5 -6.910 -6.467 2.524 1.00 50.20 O ATOM 63 CB ILE A 5 -6.015 -3.469 1.748 1.00 70.01 C ATOM 64 CG1 ILE A 5 -6.247 -2.862 3.136 1.00 63.13 C ATOM 65 CG2 ILE A 5 -7.325 -3.600 0.991 1.00 34.13 C ATOM 66 CD1 ILE A 5 -7.075 -3.720 4.062 1.00 71.13 C ATOM 0 H ILE A 5 -4.168 -4.125 0.233 1.00 12.31 H new ATOM 0 HA ILE A 5 -4.898 -4.948 2.864 1.00 21.01 H new ATOM 0 HB ILE A 5 -5.371 -2.793 1.185 1.00 70.01 H new ATOM 0 HG12 ILE A 5 -5.280 -2.673 3.603 1.00 63.13 H new ATOM 0 HG13 ILE A 5 -6.738 -1.896 3.019 1.00 63.13 H new ATOM 0 HG21 ILE A 5 -7.813 -2.627 0.937 1.00 34.13 H new ATOM 0 HG22 ILE A 5 -7.128 -3.964 -0.017 1.00 34.13 H new ATOM 0 HG23 ILE A 5 -7.976 -4.304 1.510 1.00 34.13 H new ATOM 0 HD11 ILE A 5 -7.189 -3.215 5.021 1.00 71.13 H new ATOM 0 HD12 ILE A 5 -8.057 -3.888 3.621 1.00 71.13 H new ATOM 0 HD13 ILE A 5 -6.577 -4.677 4.214 1.00 71.13 H new ATOM 78 N GLU A 6 -6.327 -6.461 0.351 1.00 61.11 N ATOM 79 CA GLU A 6 -7.225 -7.561 0.019 1.00 14.14 C ATOM 80 C GLU A 6 -6.771 -8.816 0.734 1.00 24.10 C ATOM 81 O GLU A 6 -7.577 -9.663 1.105 1.00 51.31 O ATOM 82 CB GLU A 6 -7.308 -7.821 -1.491 1.00 41.25 C ATOM 83 CG GLU A 6 -8.155 -6.813 -2.255 1.00 25.54 C ATOM 84 CD GLU A 6 -7.406 -5.546 -2.617 1.00 22.23 C ATOM 85 OE1 GLU A 6 -7.238 -4.672 -1.749 1.00 54.03 O ATOM 86 OE2 GLU A 6 -6.982 -5.416 -3.784 1.00 73.32 O ATOM 0 H GLU A 6 -5.782 -6.102 -0.433 1.00 61.11 H new ATOM 0 HA GLU A 6 -8.225 -7.278 0.349 1.00 14.14 H new ATOM 0 HB2 GLU A 6 -6.299 -7.818 -1.904 1.00 41.25 H new ATOM 0 HB3 GLU A 6 -7.716 -8.818 -1.654 1.00 41.25 H new ATOM 0 HG2 GLU A 6 -8.526 -7.280 -3.167 1.00 25.54 H new ATOM 0 HG3 GLU A 6 -9.026 -6.552 -1.654 1.00 25.54 H new ATOM 93 N HIS A 7 -5.470 -8.921 0.939 1.00 42.33 N ATOM 94 CA HIS A 7 -4.917 -9.996 1.738 1.00 73.45 C ATOM 95 C HIS A 7 -5.418 -9.885 3.171 1.00 1.43 C ATOM 96 O HIS A 7 -5.898 -10.859 3.743 1.00 11.20 O ATOM 97 CB HIS A 7 -3.387 -9.955 1.708 1.00 62.44 C ATOM 98 CG HIS A 7 -2.792 -10.377 0.398 1.00 54.14 C ATOM 99 ND1 HIS A 7 -2.874 -9.641 -0.765 1.00 34.13 N ATOM 100 CD2 HIS A 7 -2.076 -11.486 0.087 1.00 2.03 C ATOM 101 CE1 HIS A 7 -2.223 -10.312 -1.720 1.00 31.54 C ATOM 102 NE2 HIS A 7 -1.719 -11.437 -1.256 1.00 3.23 N ATOM 0 H HIS A 7 -4.778 -8.274 0.562 1.00 42.33 H new ATOM 0 HA HIS A 7 -5.243 -10.948 1.319 1.00 73.45 H new ATOM 0 HB2 HIS A 7 -3.056 -8.942 1.936 1.00 62.44 H new ATOM 0 HB3 HIS A 7 -3.001 -10.601 2.496 1.00 62.44 H new ATOM 0 HD1 HIS A 7 -3.347 -8.744 -0.877 1.00 34.13 H new ATOM 0 HD2 HIS A 7 -1.823 -12.281 0.773 1.00 2.03 H new ATOM 0 HE1 HIS A 7 -2.123 -9.975 -2.741 1.00 31.54 H new ATOM 110 N LYS A 8 -5.336 -8.678 3.727 1.00 52.03 N ATOM 111 CA LYS A 8 -5.711 -8.438 5.124 1.00 41.23 C ATOM 112 C LYS A 8 -7.164 -8.812 5.381 1.00 73.15 C ATOM 113 O LYS A 8 -7.473 -9.527 6.335 1.00 3.14 O ATOM 114 CB LYS A 8 -5.526 -6.965 5.499 1.00 63.23 C ATOM 115 CG LYS A 8 -4.276 -6.321 4.934 1.00 45.31 C ATOM 116 CD LYS A 8 -3.015 -7.040 5.372 1.00 30.13 C ATOM 117 CE LYS A 8 -1.782 -6.295 4.900 1.00 31.30 C ATOM 118 NZ LYS A 8 -0.530 -6.887 5.442 1.00 35.02 N ATOM 0 H LYS A 8 -5.013 -7.847 3.232 1.00 52.03 H new ATOM 0 HA LYS A 8 -5.058 -9.063 5.733 1.00 41.23 H new ATOM 0 HB2 LYS A 8 -6.395 -6.404 5.154 1.00 63.23 H new ATOM 0 HB3 LYS A 8 -5.503 -6.881 6.585 1.00 63.23 H new ATOM 0 HG2 LYS A 8 -4.331 -6.318 3.845 1.00 45.31 H new ATOM 0 HG3 LYS A 8 -4.229 -5.280 5.254 1.00 45.31 H new ATOM 0 HD2 LYS A 8 -2.999 -7.128 6.458 1.00 30.13 H new ATOM 0 HD3 LYS A 8 -3.010 -8.053 4.970 1.00 30.13 H new ATOM 0 HE2 LYS A 8 -1.746 -6.307 3.811 1.00 31.30 H new ATOM 0 HE3 LYS A 8 -1.851 -5.251 5.205 1.00 31.30 H new ATOM 0 HZ1 LYS A 8 0.288 -6.347 5.094 1.00 35.02 H new ATOM 0 HZ2 LYS A 8 -0.551 -6.853 6.481 1.00 35.02 H new ATOM 0 HZ3 LYS A 8 -0.450 -7.876 5.130 1.00 35.02 H new ATOM 132 N VAL A 9 -8.051 -8.318 4.526 1.00 64.01 N ATOM 133 CA VAL A 9 -9.482 -8.528 4.707 1.00 54.22 C ATOM 134 C VAL A 9 -9.843 -10.010 4.604 1.00 41.41 C ATOM 135 O VAL A 9 -10.725 -10.493 5.314 1.00 73.03 O ATOM 136 CB VAL A 9 -10.307 -7.691 3.700 1.00 71.54 C ATOM 137 CG1 VAL A 9 -9.962 -8.043 2.264 1.00 41.43 C ATOM 138 CG2 VAL A 9 -11.800 -7.848 3.949 1.00 42.14 C ATOM 0 H VAL A 9 -7.805 -7.770 3.702 1.00 64.01 H new ATOM 0 HA VAL A 9 -9.735 -8.189 5.711 1.00 54.22 H new ATOM 0 HB VAL A 9 -10.043 -6.645 3.857 1.00 71.54 H new ATOM 0 HG11 VAL A 9 -10.561 -7.435 1.586 1.00 41.43 H new ATOM 0 HG12 VAL A 9 -8.904 -7.849 2.086 1.00 41.43 H new ATOM 0 HG13 VAL A 9 -10.172 -9.098 2.087 1.00 41.43 H new ATOM 0 HG21 VAL A 9 -12.354 -7.249 3.227 1.00 42.14 H new ATOM 0 HG22 VAL A 9 -12.079 -8.896 3.841 1.00 42.14 H new ATOM 0 HG23 VAL A 9 -12.038 -7.512 4.958 1.00 42.14 H new ATOM 148 N TYR A 10 -9.133 -10.741 3.753 1.00 43.12 N ATOM 149 CA TYR A 10 -9.363 -12.174 3.630 1.00 10.44 C ATOM 150 C TYR A 10 -8.836 -12.893 4.867 1.00 22.44 C ATOM 151 O TYR A 10 -9.401 -13.894 5.297 1.00 70.02 O ATOM 152 CB TYR A 10 -8.682 -12.754 2.384 1.00 75.04 C ATOM 153 CG TYR A 10 -9.181 -12.209 1.056 1.00 63.11 C ATOM 154 CD1 TYR A 10 -10.276 -11.356 0.983 1.00 44.35 C ATOM 155 CD2 TYR A 10 -8.549 -12.560 -0.131 1.00 65.34 C ATOM 156 CE1 TYR A 10 -10.724 -10.867 -0.231 1.00 44.13 C ATOM 157 CE2 TYR A 10 -8.992 -12.075 -1.348 1.00 22.10 C ATOM 158 CZ TYR A 10 -10.080 -11.230 -1.392 1.00 34.33 C ATOM 159 OH TYR A 10 -10.525 -10.743 -2.603 1.00 72.01 O ATOM 0 H TYR A 10 -8.402 -10.371 3.145 1.00 43.12 H new ATOM 0 HA TYR A 10 -10.438 -12.326 3.535 1.00 10.44 H new ATOM 0 HB2 TYR A 10 -7.611 -12.566 2.455 1.00 75.04 H new ATOM 0 HB3 TYR A 10 -8.817 -13.836 2.387 1.00 75.04 H new ATOM 0 HD1 TYR A 10 -10.786 -11.070 1.891 1.00 44.35 H new ATOM 0 HD2 TYR A 10 -7.697 -13.223 -0.102 1.00 65.34 H new ATOM 0 HE1 TYR A 10 -11.575 -10.203 -0.268 1.00 44.13 H new ATOM 0 HE2 TYR A 10 -8.487 -12.357 -2.260 1.00 22.10 H new ATOM 0 HH TYR A 10 -9.961 -11.094 -3.324 1.00 72.01 H new ATOM 169 N GLN A 11 -7.770 -12.348 5.450 1.00 62.44 N ATOM 170 CA GLN A 11 -7.080 -12.989 6.572 1.00 42.34 C ATOM 171 C GLN A 11 -8.008 -13.204 7.759 1.00 5.14 C ATOM 172 O GLN A 11 -8.112 -14.311 8.291 1.00 42.33 O ATOM 173 CB GLN A 11 -5.879 -12.156 7.030 1.00 11.40 C ATOM 174 CG GLN A 11 -4.704 -12.160 6.068 1.00 30.21 C ATOM 175 CD GLN A 11 -4.134 -13.545 5.832 1.00 4.02 C ATOM 176 OE1 GLN A 11 -3.248 -13.992 6.557 1.00 71.00 O ATOM 177 NE2 GLN A 11 -4.628 -14.225 4.809 1.00 0.22 N ATOM 0 H GLN A 11 -7.362 -11.458 5.163 1.00 62.44 H new ATOM 0 HA GLN A 11 -6.738 -13.959 6.211 1.00 42.34 H new ATOM 0 HB2 GLN A 11 -6.204 -11.127 7.182 1.00 11.40 H new ATOM 0 HB3 GLN A 11 -5.542 -12.530 7.997 1.00 11.40 H new ATOM 0 HG2 GLN A 11 -5.021 -11.737 5.115 1.00 30.21 H new ATOM 0 HG3 GLN A 11 -3.919 -11.512 6.459 1.00 30.21 H new ATOM 0 HE21 GLN A 11 -5.363 -13.816 4.232 1.00 0.22 H new ATOM 0 HE22 GLN A 11 -4.273 -15.158 4.598 1.00 0.22 H new ATOM 186 N LEU A 12 -8.686 -12.145 8.162 1.00 70.02 N ATOM 187 CA LEU A 12 -9.490 -12.177 9.370 1.00 41.44 C ATOM 188 C LEU A 12 -10.919 -12.605 9.094 1.00 2.33 C ATOM 189 O LEU A 12 -11.489 -13.377 9.854 1.00 11.24 O ATOM 190 CB LEU A 12 -9.449 -10.822 10.087 1.00 13.40 C ATOM 191 CG LEU A 12 -9.156 -9.595 9.212 1.00 35.02 C ATOM 192 CD1 LEU A 12 -10.375 -9.185 8.399 1.00 50.24 C ATOM 193 CD2 LEU A 12 -8.672 -8.436 10.073 1.00 5.22 C ATOM 0 H LEU A 12 -8.696 -11.251 7.670 1.00 70.02 H new ATOM 0 HA LEU A 12 -9.055 -12.928 10.029 1.00 41.44 H new ATOM 0 HB2 LEU A 12 -10.408 -10.668 10.581 1.00 13.40 H new ATOM 0 HB3 LEU A 12 -8.692 -10.872 10.869 1.00 13.40 H new ATOM 0 HG LEU A 12 -8.368 -9.865 8.509 1.00 35.02 H new ATOM 0 HD11 LEU A 12 -10.131 -8.313 7.792 1.00 50.24 H new ATOM 0 HD12 LEU A 12 -10.673 -10.008 7.749 1.00 50.24 H new ATOM 0 HD13 LEU A 12 -11.196 -8.939 9.073 1.00 50.24 H new ATOM 0 HD21 LEU A 12 -8.468 -7.573 9.440 1.00 5.22 H new ATOM 0 HD22 LEU A 12 -9.441 -8.178 10.801 1.00 5.22 H new ATOM 0 HD23 LEU A 12 -7.760 -8.727 10.595 1.00 5.22 H new ATOM 205 N LEU A 13 -11.490 -12.135 8.002 1.00 54.42 N ATOM 206 CA LEU A 13 -12.888 -12.423 7.700 1.00 62.35 C ATOM 207 C LEU A 13 -13.135 -13.903 7.480 1.00 13.12 C ATOM 208 O LEU A 13 -14.121 -14.453 7.980 1.00 0.41 O ATOM 209 CB LEU A 13 -13.359 -11.645 6.485 1.00 61.43 C ATOM 210 CG LEU A 13 -13.542 -10.154 6.718 1.00 2.44 C ATOM 211 CD1 LEU A 13 -14.255 -9.529 5.536 1.00 22.51 C ATOM 212 CD2 LEU A 13 -14.314 -9.925 8.006 1.00 31.21 C ATOM 0 H LEU A 13 -11.015 -11.555 7.310 1.00 54.42 H new ATOM 0 HA LEU A 13 -13.461 -12.109 8.572 1.00 62.35 H new ATOM 0 HB2 LEU A 13 -12.640 -11.787 5.678 1.00 61.43 H new ATOM 0 HB3 LEU A 13 -14.306 -12.065 6.146 1.00 61.43 H new ATOM 0 HG LEU A 13 -12.566 -9.679 6.815 1.00 2.44 H new ATOM 0 HD11 LEU A 13 -14.382 -8.461 5.711 1.00 22.51 H new ATOM 0 HD12 LEU A 13 -13.664 -9.681 4.633 1.00 22.51 H new ATOM 0 HD13 LEU A 13 -15.233 -9.995 5.413 1.00 22.51 H new ATOM 0 HD21 LEU A 13 -14.442 -8.855 8.168 1.00 31.21 H new ATOM 0 HD22 LEU A 13 -15.292 -10.401 7.933 1.00 31.21 H new ATOM 0 HD23 LEU A 13 -13.762 -10.355 8.842 1.00 31.21 H new ATOM 224 N LYS A 14 -12.257 -14.548 6.729 1.00 62.34 N ATOM 225 CA LYS A 14 -12.400 -15.974 6.477 1.00 70.21 C ATOM 226 C LYS A 14 -12.186 -16.760 7.771 1.00 23.21 C ATOM 227 O LYS A 14 -12.617 -17.906 7.893 1.00 12.54 O ATOM 228 CB LYS A 14 -11.431 -16.442 5.388 1.00 72.41 C ATOM 229 CG LYS A 14 -10.037 -16.762 5.891 1.00 32.11 C ATOM 230 CD LYS A 14 -9.149 -17.279 4.773 1.00 74.34 C ATOM 231 CE LYS A 14 -7.811 -17.750 5.308 1.00 40.22 C ATOM 232 NZ LYS A 14 -6.893 -18.172 4.219 1.00 41.21 N ATOM 0 H LYS A 14 -11.447 -14.114 6.287 1.00 62.34 H new ATOM 0 HA LYS A 14 -13.412 -16.160 6.119 1.00 70.21 H new ATOM 0 HB2 LYS A 14 -11.844 -17.329 4.907 1.00 72.41 H new ATOM 0 HB3 LYS A 14 -11.360 -15.668 4.623 1.00 72.41 H new ATOM 0 HG2 LYS A 14 -9.592 -15.868 6.327 1.00 32.11 H new ATOM 0 HG3 LYS A 14 -10.097 -17.507 6.684 1.00 32.11 H new ATOM 0 HD2 LYS A 14 -9.648 -18.101 4.260 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -8.992 -16.491 4.036 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -7.348 -16.948 5.882 1.00 40.22 H new ATOM 0 HE3 LYS A 14 -7.968 -18.583 5.993 1.00 40.22 H new ATOM 0 HZ1 LYS A 14 -5.990 -18.487 4.628 1.00 41.21 H new ATOM 0 HZ2 LYS A 14 -7.323 -18.955 3.686 1.00 41.21 H new ATOM 0 HZ3 LYS A 14 -6.722 -17.370 3.579 1.00 41.21 H new ATOM 246 N ASP A 15 -11.530 -16.125 8.738 1.00 75.43 N ATOM 247 CA ASP A 15 -11.326 -16.726 10.052 1.00 14.34 C ATOM 248 C ASP A 15 -12.606 -16.649 10.871 1.00 30.20 C ATOM 249 O ASP A 15 -13.019 -17.627 11.497 1.00 22.33 O ATOM 250 CB ASP A 15 -10.199 -16.012 10.799 1.00 53.53 C ATOM 251 CG ASP A 15 -9.893 -16.652 12.141 1.00 3.43 C ATOM 252 OD1 ASP A 15 -10.533 -16.279 13.149 1.00 30.21 O ATOM 253 OD2 ASP A 15 -9.008 -17.534 12.192 1.00 53.11 O ATOM 0 H ASP A 15 -11.130 -15.192 8.636 1.00 75.43 H new ATOM 0 HA ASP A 15 -11.052 -17.771 9.910 1.00 14.34 H new ATOM 0 HB2 ASP A 15 -9.299 -16.018 10.184 1.00 53.53 H new ATOM 0 HB3 ASP A 15 -10.473 -14.968 10.952 1.00 53.53 H new ATOM 258 N GLN A 16 -13.236 -15.475 10.841 1.00 23.45 N ATOM 259 CA GLN A 16 -14.469 -15.226 11.597 1.00 73.33 C ATOM 260 C GLN A 16 -15.601 -16.106 11.091 1.00 31.03 C ATOM 261 O GLN A 16 -16.597 -16.326 11.778 1.00 50.02 O ATOM 262 CB GLN A 16 -14.899 -13.758 11.485 1.00 44.55 C ATOM 263 CG GLN A 16 -13.757 -12.776 11.525 1.00 71.21 C ATOM 264 CD GLN A 16 -14.148 -11.463 12.162 1.00 51.14 C ATOM 265 OE1 GLN A 16 -14.963 -11.420 13.080 1.00 31.34 O ATOM 266 NE2 GLN A 16 -13.605 -10.383 11.644 1.00 11.31 N ATOM 0 H GLN A 16 -12.912 -14.675 10.298 1.00 23.45 H new ATOM 0 HA GLN A 16 -14.260 -15.462 12.640 1.00 73.33 H new ATOM 0 HB2 GLN A 16 -15.448 -13.622 10.553 1.00 44.55 H new ATOM 0 HB3 GLN A 16 -15.589 -13.530 12.298 1.00 44.55 H new ATOM 0 HG2 GLN A 16 -12.926 -13.212 12.079 1.00 71.21 H new ATOM 0 HG3 GLN A 16 -13.403 -12.593 10.510 1.00 71.21 H new ATOM 0 HE21 GLN A 16 -12.932 -10.466 10.882 1.00 11.31 H new ATOM 0 HE22 GLN A 16 -13.857 -9.463 12.004 1.00 11.31 H new ATOM 275 N GLY A 17 -15.441 -16.595 9.877 1.00 14.53 N ATOM 276 CA GLY A 17 -16.454 -17.424 9.281 1.00 30.31 C ATOM 277 C GLY A 17 -17.167 -16.720 8.154 1.00 13.24 C ATOM 278 O GLY A 17 -18.376 -16.875 7.977 1.00 64.20 O ATOM 0 H GLY A 17 -14.622 -16.430 9.292 1.00 14.53 H new ATOM 0 HA2 GLY A 17 -15.998 -18.340 8.906 1.00 30.31 H new ATOM 0 HA3 GLY A 17 -17.178 -17.716 10.042 1.00 30.31 H new ATOM 282 N CYS A 18 -16.436 -15.909 7.408 1.00 51.43 N ATOM 283 CA CYS A 18 -17.001 -15.270 6.235 1.00 63.11 C ATOM 284 C CYS A 18 -16.210 -15.636 4.992 1.00 1.43 C ATOM 285 O CYS A 18 -14.986 -15.700 5.033 1.00 11.21 O ATOM 286 CB CYS A 18 -17.006 -13.749 6.389 1.00 64.44 C ATOM 287 SG CYS A 18 -18.297 -12.939 5.395 1.00 13.32 S ATOM 0 H CYS A 18 -15.459 -15.680 7.592 1.00 51.43 H new ATOM 0 HA CYS A 18 -18.027 -15.624 6.132 1.00 63.11 H new ATOM 0 HB2 CYS A 18 -17.151 -13.496 7.439 1.00 64.44 H new ATOM 0 HB3 CYS A 18 -16.031 -13.357 6.098 1.00 64.44 H new ATOM 292 N GLU A 19 -16.909 -15.904 3.903 1.00 52.20 N ATOM 293 CA GLU A 19 -16.265 -16.005 2.597 1.00 2.32 C ATOM 294 C GLU A 19 -16.934 -15.048 1.612 1.00 32.32 C ATOM 295 O GLU A 19 -16.441 -14.827 0.505 1.00 53.13 O ATOM 296 CB GLU A 19 -16.314 -17.441 2.061 1.00 74.54 C ATOM 297 CG GLU A 19 -17.704 -17.911 1.663 1.00 15.51 C ATOM 298 CD GLU A 19 -18.596 -18.135 2.857 1.00 43.21 C ATOM 299 OE1 GLU A 19 -19.181 -17.155 3.343 1.00 72.13 O ATOM 300 OE2 GLU A 19 -18.687 -19.285 3.333 1.00 51.55 O ATOM 0 H GLU A 19 -17.918 -16.056 3.892 1.00 52.20 H new ATOM 0 HA GLU A 19 -15.217 -15.728 2.712 1.00 2.32 H new ATOM 0 HB2 GLU A 19 -15.656 -17.516 1.196 1.00 74.54 H new ATOM 0 HB3 GLU A 19 -15.919 -18.114 2.822 1.00 74.54 H new ATOM 0 HG2 GLU A 19 -18.160 -17.172 1.005 1.00 15.51 H new ATOM 0 HG3 GLU A 19 -17.623 -18.837 1.094 1.00 15.51 H new ATOM 307 N ASP A 20 -18.050 -14.465 2.040 1.00 40.41 N ATOM 308 CA ASP A 20 -18.831 -13.575 1.193 1.00 12.11 C ATOM 309 C ASP A 20 -18.329 -12.137 1.286 1.00 42.21 C ATOM 310 O ASP A 20 -18.847 -11.317 2.057 1.00 53.33 O ATOM 311 CB ASP A 20 -20.314 -13.643 1.566 1.00 23.11 C ATOM 312 CG ASP A 20 -21.168 -12.677 0.757 1.00 74.22 C ATOM 313 OD1 ASP A 20 -20.858 -12.446 -0.432 1.00 33.44 O ATOM 314 OD2 ASP A 20 -22.155 -12.152 1.311 1.00 10.22 O ATOM 0 H ASP A 20 -18.434 -14.596 2.976 1.00 40.41 H new ATOM 0 HA ASP A 20 -18.711 -13.908 0.162 1.00 12.11 H new ATOM 0 HB2 ASP A 20 -20.677 -14.659 1.412 1.00 23.11 H new ATOM 0 HB3 ASP A 20 -20.428 -13.421 2.627 1.00 23.11 H new ATOM 319 N PHE A 21 -17.276 -11.870 0.536 1.00 52.14 N ATOM 320 CA PHE A 21 -16.708 -10.533 0.412 1.00 15.30 C ATOM 321 C PHE A 21 -15.777 -10.475 -0.791 1.00 61.25 C ATOM 322 O PHE A 21 -15.246 -11.499 -1.223 1.00 13.43 O ATOM 323 CB PHE A 21 -15.960 -10.120 1.689 1.00 53.10 C ATOM 324 CG PHE A 21 -15.078 -11.193 2.270 1.00 4.45 C ATOM 325 CD1 PHE A 21 -13.758 -11.331 1.874 1.00 60.10 C ATOM 326 CD2 PHE A 21 -15.578 -12.063 3.218 1.00 22.02 C ATOM 327 CE1 PHE A 21 -12.957 -12.317 2.420 1.00 2.42 C ATOM 328 CE2 PHE A 21 -14.785 -13.048 3.763 1.00 73.25 C ATOM 329 CZ PHE A 21 -13.471 -13.181 3.365 1.00 72.43 C ATOM 0 H PHE A 21 -16.784 -12.578 -0.010 1.00 52.14 H new ATOM 0 HA PHE A 21 -17.527 -9.828 0.267 1.00 15.30 H new ATOM 0 HB2 PHE A 21 -15.349 -9.244 1.470 1.00 53.10 H new ATOM 0 HB3 PHE A 21 -16.689 -9.820 2.441 1.00 53.10 H new ATOM 0 HD1 PHE A 21 -13.350 -10.662 1.131 1.00 60.10 H new ATOM 0 HD2 PHE A 21 -16.606 -11.970 3.537 1.00 22.02 H new ATOM 0 HE1 PHE A 21 -11.928 -12.411 2.106 1.00 2.42 H new ATOM 0 HE2 PHE A 21 -15.193 -13.719 4.505 1.00 73.25 H new ATOM 0 HZ PHE A 21 -12.849 -13.955 3.790 1.00 72.43 H new ATOM 339 N GLY A 22 -15.594 -9.285 -1.341 1.00 73.24 N ATOM 340 CA GLY A 22 -14.743 -9.131 -2.503 1.00 51.00 C ATOM 341 C GLY A 22 -14.615 -7.685 -2.922 1.00 14.25 C ATOM 342 O GLY A 22 -15.151 -6.799 -2.266 1.00 22.44 O ATOM 0 H GLY A 22 -16.020 -8.422 -1.004 1.00 73.24 H new ATOM 0 HA2 GLY A 22 -13.754 -9.534 -2.284 1.00 51.00 H new ATOM 0 HA3 GLY A 22 -15.149 -9.714 -3.330 1.00 51.00 H new ATOM 346 N THR A 23 -13.912 -7.441 -4.014 1.00 55.45 N ATOM 347 CA THR A 23 -13.692 -6.086 -4.491 1.00 24.43 C ATOM 348 C THR A 23 -14.503 -5.805 -5.749 1.00 70.52 C ATOM 349 O THR A 23 -14.812 -6.721 -6.514 1.00 40.20 O ATOM 350 CB THR A 23 -12.200 -5.851 -4.784 1.00 65.40 C ATOM 351 OG1 THR A 23 -11.657 -6.984 -5.481 1.00 64.00 O ATOM 352 CG2 THR A 23 -11.432 -5.619 -3.496 1.00 44.43 C ATOM 0 H THR A 23 -13.482 -8.166 -4.589 1.00 55.45 H new ATOM 0 HA THR A 23 -14.019 -5.406 -3.704 1.00 24.43 H new ATOM 0 HB THR A 23 -12.103 -4.963 -5.408 1.00 65.40 H new ATOM 0 HG1 THR A 23 -10.707 -6.829 -5.667 1.00 64.00 H new ATOM 0 HG21 THR A 23 -10.379 -5.455 -3.725 1.00 44.43 H new ATOM 0 HG22 THR A 23 -11.833 -4.743 -2.986 1.00 44.43 H new ATOM 0 HG23 THR A 23 -11.531 -6.492 -2.851 1.00 44.43 H new ATOM 360 N LYS A 24 -14.866 -4.546 -5.947 1.00 34.31 N ATOM 361 CA LYS A 24 -15.559 -4.136 -7.159 1.00 72.42 C ATOM 362 C LYS A 24 -14.925 -2.878 -7.739 1.00 42.20 C ATOM 363 O LYS A 24 -14.215 -2.147 -7.045 1.00 0.32 O ATOM 364 CB LYS A 24 -17.041 -3.866 -6.882 1.00 23.44 C ATOM 365 CG LYS A 24 -17.290 -2.570 -6.125 1.00 15.14 C ATOM 366 CD LYS A 24 -18.773 -2.249 -6.030 1.00 2.30 C ATOM 367 CE LYS A 24 -19.405 -2.085 -7.404 1.00 44.53 C ATOM 368 NZ LYS A 24 -20.891 -2.042 -7.342 1.00 71.35 N ATOM 0 H LYS A 24 -14.692 -3.791 -5.284 1.00 34.31 H new ATOM 0 HA LYS A 24 -15.474 -4.952 -7.876 1.00 72.42 H new ATOM 0 HB2 LYS A 24 -17.580 -3.834 -7.829 1.00 23.44 H new ATOM 0 HB3 LYS A 24 -17.453 -4.697 -6.309 1.00 23.44 H new ATOM 0 HG2 LYS A 24 -16.870 -2.648 -5.122 1.00 15.14 H new ATOM 0 HG3 LYS A 24 -16.772 -1.752 -6.625 1.00 15.14 H new ATOM 0 HD2 LYS A 24 -19.283 -3.045 -5.488 1.00 2.30 H new ATOM 0 HD3 LYS A 24 -18.911 -1.333 -5.455 1.00 2.30 H new ATOM 0 HE2 LYS A 24 -19.036 -1.168 -7.864 1.00 44.53 H new ATOM 0 HE3 LYS A 24 -19.094 -2.910 -8.045 1.00 44.53 H new ATOM 0 HZ1 LYS A 24 -21.255 -1.470 -8.130 1.00 71.35 H new ATOM 0 HZ2 LYS A 24 -21.269 -3.008 -7.412 1.00 71.35 H new ATOM 0 HZ3 LYS A 24 -21.189 -1.618 -6.440 1.00 71.35 H new ATOM 382 N CYS A 25 -15.192 -2.632 -9.007 1.00 53.11 N ATOM 383 CA CYS A 25 -14.766 -1.410 -9.658 1.00 25.50 C ATOM 384 C CYS A 25 -15.894 -0.882 -10.533 1.00 25.51 C ATOM 385 O CYS A 25 -15.933 -1.132 -11.738 1.00 71.22 O ATOM 386 CB CYS A 25 -13.505 -1.653 -10.496 1.00 21.23 C ATOM 387 SG CYS A 25 -12.893 -0.193 -11.372 1.00 33.32 S ATOM 0 H CYS A 25 -15.708 -3.271 -9.612 1.00 53.11 H new ATOM 0 HA CYS A 25 -14.525 -0.668 -8.897 1.00 25.50 H new ATOM 0 HB2 CYS A 25 -12.716 -2.026 -9.843 1.00 21.23 H new ATOM 0 HB3 CYS A 25 -13.713 -2.437 -11.224 1.00 21.23 H new ATOM 0 HG CYS A 25 -11.825 0.252 -10.780 1.00 33.32 H new ATOM 393 N VAL A 26 -16.836 -0.185 -9.917 1.00 53.53 N ATOM 394 CA VAL A 26 -17.976 0.344 -10.648 1.00 22.02 C ATOM 395 C VAL A 26 -17.627 1.697 -11.251 1.00 15.14 C ATOM 396 O VAL A 26 -17.338 2.655 -10.538 1.00 24.23 O ATOM 397 CB VAL A 26 -19.241 0.458 -9.757 1.00 60.32 C ATOM 398 CG1 VAL A 26 -18.972 1.286 -8.507 1.00 40.35 C ATOM 399 CG2 VAL A 26 -20.406 1.040 -10.547 1.00 73.52 C ATOM 0 H VAL A 26 -16.834 0.026 -8.919 1.00 53.53 H new ATOM 0 HA VAL A 26 -18.209 -0.359 -11.448 1.00 22.02 H new ATOM 0 HB VAL A 26 -19.509 -0.548 -9.435 1.00 60.32 H new ATOM 0 HG11 VAL A 26 -19.880 1.344 -7.907 1.00 40.35 H new ATOM 0 HG12 VAL A 26 -18.181 0.816 -7.923 1.00 40.35 H new ATOM 0 HG13 VAL A 26 -18.663 2.291 -8.796 1.00 40.35 H new ATOM 0 HG21 VAL A 26 -21.283 1.111 -9.903 1.00 73.52 H new ATOM 0 HG22 VAL A 26 -20.140 2.033 -10.909 1.00 73.52 H new ATOM 0 HG23 VAL A 26 -20.630 0.393 -11.395 1.00 73.52 H new ATOM 409 N ILE A 27 -17.611 1.768 -12.568 1.00 24.44 N ATOM 410 CA ILE A 27 -17.308 3.016 -13.227 1.00 21.34 C ATOM 411 C ILE A 27 -18.466 3.990 -13.088 1.00 31.43 C ATOM 412 O ILE A 27 -19.616 3.668 -13.398 1.00 23.14 O ATOM 413 CB ILE A 27 -16.962 2.831 -14.714 1.00 2.30 C ATOM 414 CG1 ILE A 27 -15.617 2.115 -14.852 1.00 33.43 C ATOM 415 CG2 ILE A 27 -16.929 4.186 -15.410 1.00 41.22 C ATOM 416 CD1 ILE A 27 -15.199 1.883 -16.286 1.00 60.52 C ATOM 0 H ILE A 27 -17.802 0.985 -13.193 1.00 24.44 H new ATOM 0 HA ILE A 27 -16.426 3.422 -12.732 1.00 21.34 H new ATOM 0 HB ILE A 27 -17.727 2.218 -15.190 1.00 2.30 H new ATOM 0 HG12 ILE A 27 -14.849 2.702 -14.349 1.00 33.43 H new ATOM 0 HG13 ILE A 27 -15.672 1.155 -14.338 1.00 33.43 H new ATOM 0 HG21 ILE A 27 -16.683 4.048 -16.463 1.00 41.22 H new ATOM 0 HG22 ILE A 27 -17.905 4.663 -15.325 1.00 41.22 H new ATOM 0 HG23 ILE A 27 -16.175 4.818 -14.941 1.00 41.22 H new ATOM 0 HD11 ILE A 27 -14.237 1.371 -16.306 1.00 60.52 H new ATOM 0 HD12 ILE A 27 -15.947 1.269 -16.788 1.00 60.52 H new ATOM 0 HD13 ILE A 27 -15.111 2.841 -16.799 1.00 60.52 H new ATOM 428 N GLU A 28 -18.148 5.171 -12.599 1.00 44.20 N ATOM 429 CA GLU A 28 -19.113 6.237 -12.478 1.00 64.40 C ATOM 430 C GLU A 28 -18.646 7.425 -13.297 1.00 13.04 C ATOM 431 O GLU A 28 -17.689 8.111 -12.937 1.00 74.20 O ATOM 432 CB GLU A 28 -19.310 6.622 -11.013 1.00 44.40 C ATOM 433 CG GLU A 28 -20.052 5.565 -10.208 1.00 33.35 C ATOM 434 CD GLU A 28 -20.460 6.058 -8.834 1.00 75.31 C ATOM 435 OE1 GLU A 28 -21.013 7.176 -8.738 1.00 61.21 O ATOM 436 OE2 GLU A 28 -20.214 5.345 -7.841 1.00 12.20 O ATOM 0 H GLU A 28 -17.212 5.416 -12.275 1.00 44.20 H new ATOM 0 HA GLU A 28 -20.077 5.900 -12.859 1.00 64.40 H new ATOM 0 HB2 GLU A 28 -18.336 6.799 -10.557 1.00 44.40 H new ATOM 0 HB3 GLU A 28 -19.861 7.561 -10.962 1.00 44.40 H new ATOM 0 HG2 GLU A 28 -20.941 5.253 -10.757 1.00 33.35 H new ATOM 0 HG3 GLU A 28 -19.419 4.684 -10.101 1.00 33.35 H new ATOM 443 N GLU A 29 -19.299 7.627 -14.423 1.00 3.35 N ATOM 444 CA GLU A 29 -18.935 8.686 -15.344 1.00 54.35 C ATOM 445 C GLU A 29 -19.612 9.987 -14.948 1.00 33.20 C ATOM 446 O GLU A 29 -20.818 10.025 -14.700 1.00 33.20 O ATOM 447 CB GLU A 29 -19.295 8.304 -16.791 1.00 12.22 C ATOM 448 CG GLU A 29 -20.770 7.983 -17.024 1.00 63.35 C ATOM 449 CD GLU A 29 -21.196 6.668 -16.405 1.00 64.14 C ATOM 450 OE1 GLU A 29 -20.992 5.617 -17.042 1.00 43.01 O ATOM 451 OE2 GLU A 29 -21.728 6.681 -15.275 1.00 1.55 O ATOM 0 H GLU A 29 -20.094 7.064 -14.725 1.00 3.35 H new ATOM 0 HA GLU A 29 -17.855 8.828 -15.293 1.00 54.35 H new ATOM 0 HB2 GLU A 29 -19.008 9.124 -17.450 1.00 12.22 H new ATOM 0 HB3 GLU A 29 -18.700 7.438 -17.082 1.00 12.22 H new ATOM 0 HG2 GLU A 29 -21.380 8.787 -16.612 1.00 63.35 H new ATOM 0 HG3 GLU A 29 -20.964 7.953 -18.096 1.00 63.35 H new ATOM 458 N VAL A 30 -18.831 11.047 -14.869 1.00 14.21 N ATOM 459 CA VAL A 30 -19.354 12.343 -14.489 1.00 4.32 C ATOM 460 C VAL A 30 -19.885 13.068 -15.716 1.00 30.05 C ATOM 461 O VAL A 30 -19.118 13.599 -16.520 1.00 51.04 O ATOM 462 CB VAL A 30 -18.282 13.208 -13.788 1.00 64.14 C ATOM 463 CG1 VAL A 30 -18.836 14.574 -13.414 1.00 14.42 C ATOM 464 CG2 VAL A 30 -17.759 12.497 -12.551 1.00 44.13 C ATOM 0 H VAL A 30 -17.830 11.035 -15.064 1.00 14.21 H new ATOM 0 HA VAL A 30 -20.166 12.180 -13.780 1.00 4.32 H new ATOM 0 HB VAL A 30 -17.459 13.357 -14.487 1.00 64.14 H new ATOM 0 HG11 VAL A 30 -18.059 15.160 -12.923 1.00 14.42 H new ATOM 0 HG12 VAL A 30 -19.166 15.092 -14.315 1.00 14.42 H new ATOM 0 HG13 VAL A 30 -19.681 14.451 -12.736 1.00 14.42 H new ATOM 0 HG21 VAL A 30 -17.005 13.117 -12.067 1.00 44.13 H new ATOM 0 HG22 VAL A 30 -18.582 12.319 -11.858 1.00 44.13 H new ATOM 0 HG23 VAL A 30 -17.315 11.544 -12.839 1.00 44.13 H new ATOM 474 N LYS A 31 -21.200 13.047 -15.878 1.00 60.32 N ATOM 475 CA LYS A 31 -21.840 13.729 -16.990 1.00 62.41 C ATOM 476 C LYS A 31 -21.743 15.235 -16.779 1.00 0.22 C ATOM 477 O LYS A 31 -22.483 15.811 -15.978 1.00 71.40 O ATOM 478 CB LYS A 31 -23.303 13.297 -17.111 1.00 62.35 C ATOM 479 CG LYS A 31 -23.497 11.788 -17.066 1.00 13.43 C ATOM 480 CD LYS A 31 -24.956 11.409 -17.250 1.00 53.21 C ATOM 481 CE LYS A 31 -25.198 9.940 -16.930 1.00 20.23 C ATOM 482 NZ LYS A 31 -24.378 9.033 -17.777 1.00 53.24 N ATOM 0 H LYS A 31 -21.844 12.564 -15.252 1.00 60.32 H new ATOM 0 HA LYS A 31 -21.332 13.463 -17.917 1.00 62.41 H new ATOM 0 HB2 LYS A 31 -23.876 13.753 -16.304 1.00 62.35 H new ATOM 0 HB3 LYS A 31 -23.710 13.680 -18.047 1.00 62.35 H new ATOM 0 HG2 LYS A 31 -22.897 11.320 -17.846 1.00 13.43 H new ATOM 0 HG3 LYS A 31 -23.137 11.402 -16.112 1.00 13.43 H new ATOM 0 HD2 LYS A 31 -25.578 12.030 -16.605 1.00 53.21 H new ATOM 0 HD3 LYS A 31 -25.259 11.613 -18.277 1.00 53.21 H new ATOM 0 HE2 LYS A 31 -24.970 9.757 -15.880 1.00 20.23 H new ATOM 0 HE3 LYS A 31 -26.254 9.709 -17.072 1.00 20.23 H new ATOM 0 HZ1 LYS A 31 -24.674 8.049 -17.619 1.00 53.24 H new ATOM 0 HZ2 LYS A 31 -24.512 9.278 -18.779 1.00 53.24 H new ATOM 0 HZ3 LYS A 31 -23.374 9.137 -17.526 1.00 53.24 H new ATOM 496 N SER A 32 -20.812 15.865 -17.474 1.00 33.12 N ATOM 497 CA SER A 32 -20.525 17.270 -17.251 1.00 14.22 C ATOM 498 C SER A 32 -21.365 18.172 -18.154 1.00 31.32 C ATOM 499 O SER A 32 -20.881 18.686 -19.164 1.00 14.23 O ATOM 500 CB SER A 32 -19.033 17.542 -17.449 1.00 34.24 C ATOM 501 OG SER A 32 -18.700 18.868 -17.079 1.00 43.40 O ATOM 0 H SER A 32 -20.242 15.426 -18.197 1.00 33.12 H new ATOM 0 HA SER A 32 -20.794 17.506 -16.221 1.00 14.22 H new ATOM 0 HB2 SER A 32 -18.450 16.839 -16.854 1.00 34.24 H new ATOM 0 HB3 SER A 32 -18.766 17.375 -18.492 1.00 34.24 H new ATOM 0 HG SER A 32 -17.740 19.014 -17.214 1.00 43.40 H new ATOM 507 N SER A 33 -22.644 18.300 -17.803 1.00 10.31 N ATOM 508 CA SER A 33 -23.546 19.288 -18.405 1.00 11.42 C ATOM 509 C SER A 33 -23.616 19.188 -19.934 1.00 72.41 C ATOM 510 O SER A 33 -23.983 20.160 -20.597 1.00 23.41 O ATOM 511 CB SER A 33 -23.087 20.689 -18.005 1.00 45.11 C ATOM 512 OG SER A 33 -22.835 20.763 -16.609 1.00 61.11 O ATOM 0 H SER A 33 -23.088 17.720 -17.091 1.00 10.31 H new ATOM 0 HA SER A 33 -24.549 19.082 -18.031 1.00 11.42 H new ATOM 0 HB2 SER A 33 -22.183 20.951 -18.556 1.00 45.11 H new ATOM 0 HB3 SER A 33 -23.850 21.418 -18.280 1.00 45.11 H new ATOM 0 HG SER A 33 -22.541 21.669 -16.377 1.00 61.11 H new ATOM 518 N HIS A 34 -23.303 18.009 -20.479 1.00 3.42 N ATOM 519 CA HIS A 34 -23.223 17.817 -21.929 1.00 43.43 C ATOM 520 C HIS A 34 -22.357 18.921 -22.544 1.00 34.44 C ATOM 521 O HIS A 34 -22.779 19.638 -23.449 1.00 41.15 O ATOM 522 CB HIS A 34 -24.631 17.804 -22.553 1.00 60.30 C ATOM 523 CG HIS A 34 -24.688 17.253 -23.951 1.00 10.04 C ATOM 524 ND1 HIS A 34 -24.378 17.834 -25.137 1.00 52.31 N flip ATOM 525 CD2 HIS A 34 -25.110 15.977 -24.258 1.00 24.23 C flip ATOM 526 CE1 HIS A 34 -24.605 16.927 -26.168 1.00 14.45 C flip ATOM 527 NE2 HIS A 34 -25.041 15.827 -25.586 1.00 60.04 N flip ATOM 0 H HIS A 34 -23.100 17.170 -19.935 1.00 3.42 H new ATOM 0 HA HIS A 34 -22.761 16.852 -22.139 1.00 43.43 H new ATOM 0 HB2 HIS A 34 -25.291 17.215 -21.917 1.00 60.30 H new ATOM 0 HB3 HIS A 34 -25.021 18.822 -22.561 1.00 60.30 H new ATOM 0 HD2 HIS A 34 -25.439 15.230 -23.551 1.00 24.23 H new ATOM 0 HE1 HIS A 34 -24.455 17.090 -27.225 1.00 14.45 H new ATOM 0 HE2 HIS A 34 -25.293 14.973 -26.083 1.00 60.04 H new ATOM 535 N LYS A 35 -21.151 19.069 -22.009 1.00 63.03 N ATOM 536 CA LYS A 35 -20.240 20.127 -22.429 1.00 44.32 C ATOM 537 C LYS A 35 -19.851 19.986 -23.897 1.00 25.12 C ATOM 538 O LYS A 35 -19.720 20.981 -24.611 1.00 2.33 O ATOM 539 CB LYS A 35 -18.989 20.122 -21.547 1.00 13.22 C ATOM 540 CG LYS A 35 -17.983 21.205 -21.903 1.00 65.34 C ATOM 541 CD LYS A 35 -18.575 22.598 -21.753 1.00 53.22 C ATOM 542 CE LYS A 35 -17.583 23.666 -22.179 1.00 42.25 C ATOM 543 NZ LYS A 35 -18.141 25.035 -22.033 1.00 54.45 N ATOM 0 H LYS A 35 -20.779 18.464 -21.277 1.00 63.03 H new ATOM 0 HA LYS A 35 -20.759 21.079 -22.315 1.00 44.32 H new ATOM 0 HB2 LYS A 35 -19.289 20.246 -20.506 1.00 13.22 H new ATOM 0 HB3 LYS A 35 -18.504 19.149 -21.626 1.00 13.22 H new ATOM 0 HG2 LYS A 35 -17.107 21.112 -21.262 1.00 65.34 H new ATOM 0 HG3 LYS A 35 -17.644 21.063 -22.929 1.00 65.34 H new ATOM 0 HD2 LYS A 35 -19.480 22.678 -22.355 1.00 53.22 H new ATOM 0 HD3 LYS A 35 -18.867 22.762 -20.716 1.00 53.22 H new ATOM 0 HE2 LYS A 35 -16.677 23.578 -21.580 1.00 42.25 H new ATOM 0 HE3 LYS A 35 -17.296 23.500 -23.217 1.00 42.25 H new ATOM 0 HZ1 LYS A 35 -17.432 25.733 -22.335 1.00 54.45 H new ATOM 0 HZ2 LYS A 35 -18.991 25.128 -22.624 1.00 54.45 H new ATOM 0 HZ3 LYS A 35 -18.391 25.204 -21.038 1.00 54.45 H new ATOM 557 N THR A 36 -19.675 18.758 -24.346 1.00 72.41 N ATOM 558 CA THR A 36 -19.290 18.514 -25.720 1.00 71.11 C ATOM 559 C THR A 36 -20.483 18.012 -26.532 1.00 52.33 C ATOM 560 O THR A 36 -21.015 16.929 -26.287 1.00 73.45 O ATOM 561 CB THR A 36 -18.098 17.528 -25.804 1.00 23.33 C ATOM 562 OG1 THR A 36 -17.740 17.289 -27.172 1.00 54.21 O ATOM 563 CG2 THR A 36 -18.412 16.210 -25.107 1.00 21.21 C ATOM 0 H THR A 36 -19.792 17.917 -23.780 1.00 72.41 H new ATOM 0 HA THR A 36 -18.961 19.459 -26.151 1.00 71.11 H new ATOM 0 HB THR A 36 -17.254 17.988 -25.290 1.00 23.33 H new ATOM 0 HG1 THR A 36 -16.985 16.666 -27.208 1.00 54.21 H new ATOM 0 HG21 THR A 36 -17.553 15.543 -25.186 1.00 21.21 H new ATOM 0 HG22 THR A 36 -18.630 16.397 -24.056 1.00 21.21 H new ATOM 0 HG23 THR A 36 -19.277 15.745 -25.580 1.00 21.21 H new ATOM 571 N LEU A 37 -20.927 18.837 -27.467 1.00 21.53 N ATOM 572 CA LEU A 37 -22.015 18.469 -28.355 1.00 64.33 C ATOM 573 C LEU A 37 -21.442 17.994 -29.680 1.00 64.21 C ATOM 574 O LEU A 37 -20.911 18.794 -30.451 1.00 22.13 O ATOM 575 CB LEU A 37 -22.963 19.656 -28.598 1.00 13.21 C ATOM 576 CG LEU A 37 -23.698 20.205 -27.367 1.00 65.55 C ATOM 577 CD1 LEU A 37 -22.785 21.075 -26.516 1.00 20.31 C ATOM 578 CD2 LEU A 37 -24.929 20.990 -27.793 1.00 62.34 C ATOM 0 H LEU A 37 -20.548 19.770 -27.630 1.00 21.53 H new ATOM 0 HA LEU A 37 -22.588 17.669 -27.886 1.00 64.33 H new ATOM 0 HB2 LEU A 37 -22.387 20.468 -29.042 1.00 13.21 H new ATOM 0 HB3 LEU A 37 -23.708 19.353 -29.334 1.00 13.21 H new ATOM 0 HG LEU A 37 -24.011 19.356 -26.760 1.00 65.55 H new ATOM 0 HD11 LEU A 37 -23.337 21.447 -25.653 1.00 20.31 H new ATOM 0 HD12 LEU A 37 -21.934 20.485 -26.175 1.00 20.31 H new ATOM 0 HD13 LEU A 37 -22.428 21.917 -27.109 1.00 20.31 H new ATOM 0 HD21 LEU A 37 -25.440 21.373 -26.910 1.00 62.34 H new ATOM 0 HD22 LEU A 37 -24.628 21.823 -28.428 1.00 62.34 H new ATOM 0 HD23 LEU A 37 -25.603 20.337 -28.347 1.00 62.34 H new ATOM 590 N LEU A 38 -21.529 16.701 -29.946 1.00 42.33 N ATOM 591 CA LEU A 38 -20.964 16.152 -31.169 1.00 24.33 C ATOM 592 C LEU A 38 -21.922 15.167 -31.833 1.00 12.14 C ATOM 593 O LEU A 38 -22.457 15.442 -32.909 1.00 43.25 O ATOM 594 CB LEU A 38 -19.568 15.519 -30.924 1.00 2.25 C ATOM 595 CG LEU A 38 -19.440 14.352 -29.912 1.00 1.41 C ATOM 596 CD1 LEU A 38 -18.027 13.810 -29.941 1.00 3.01 C ATOM 597 CD2 LEU A 38 -19.784 14.781 -28.494 1.00 24.30 C ATOM 0 H LEU A 38 -21.981 16.017 -29.339 1.00 42.33 H new ATOM 0 HA LEU A 38 -20.821 16.982 -31.861 1.00 24.33 H new ATOM 0 HB2 LEU A 38 -19.194 15.164 -31.885 1.00 2.25 H new ATOM 0 HB3 LEU A 38 -18.899 16.314 -30.596 1.00 2.25 H new ATOM 0 HG LEU A 38 -20.151 13.581 -30.208 1.00 1.41 H new ATOM 0 HD11 LEU A 38 -17.937 12.989 -29.229 1.00 3.01 H new ATOM 0 HD12 LEU A 38 -17.797 13.448 -30.943 1.00 3.01 H new ATOM 0 HD13 LEU A 38 -17.328 14.602 -29.672 1.00 3.01 H new ATOM 0 HD21 LEU A 38 -19.680 13.930 -27.821 1.00 24.30 H new ATOM 0 HD22 LEU A 38 -19.108 15.576 -28.180 1.00 24.30 H new ATOM 0 HD23 LEU A 38 -20.811 15.145 -28.463 1.00 24.30 H new ATOM 609 N ASN A 39 -22.162 14.051 -31.175 1.00 41.34 N ATOM 610 CA ASN A 39 -23.028 13.002 -31.694 1.00 53.34 C ATOM 611 C ASN A 39 -23.198 11.947 -30.622 1.00 10.13 C ATOM 612 O ASN A 39 -24.250 11.831 -29.995 1.00 3.52 O ATOM 613 CB ASN A 39 -22.427 12.370 -32.951 1.00 64.05 C ATOM 614 CG ASN A 39 -23.279 11.245 -33.512 1.00 63.54 C ATOM 615 OD1 ASN A 39 -24.590 11.367 -33.389 1.00 21.33 O flip ATOM 616 ND2 ASN A 39 -22.756 10.273 -34.062 1.00 14.21 N flip ATOM 0 H ASN A 39 -21.762 13.841 -30.261 1.00 41.34 H new ATOM 0 HA ASN A 39 -23.993 13.432 -31.962 1.00 53.34 H new ATOM 0 HB2 ASN A 39 -22.301 13.139 -33.713 1.00 64.05 H new ATOM 0 HB3 ASN A 39 -21.434 11.986 -32.719 1.00 64.05 H new ATOM 0 HD21 ASN A 39 -21.740 10.215 -34.137 1.00 14.21 H new ATOM 0 HD22 ASN A 39 -23.339 9.527 -34.441 1.00 14.21 H new ATOM 623 N THR A 40 -22.144 11.188 -30.417 1.00 14.20 N ATOM 624 CA THR A 40 -22.053 10.310 -29.278 1.00 23.12 C ATOM 625 C THR A 40 -21.093 10.923 -28.286 1.00 61.43 C ATOM 626 O THR A 40 -20.219 11.686 -28.684 1.00 11.45 O ATOM 627 CB THR A 40 -21.564 8.904 -29.670 1.00 21.34 C ATOM 628 OG1 THR A 40 -20.511 8.989 -30.643 1.00 51.04 O ATOM 629 CG2 THR A 40 -22.706 8.063 -30.220 1.00 15.30 C ATOM 0 H THR A 40 -21.332 11.164 -31.033 1.00 14.20 H new ATOM 0 HA THR A 40 -23.047 10.196 -28.845 1.00 23.12 H new ATOM 0 HB THR A 40 -21.180 8.423 -28.771 1.00 21.34 H new ATOM 0 HG1 THR A 40 -20.211 8.087 -30.880 1.00 51.04 H new ATOM 0 HG21 THR A 40 -22.333 7.075 -30.489 1.00 15.30 H new ATOM 0 HG22 THR A 40 -23.483 7.964 -29.462 1.00 15.30 H new ATOM 0 HG23 THR A 40 -23.122 8.547 -31.104 1.00 15.30 H new ATOM 637 N GLU A 41 -21.273 10.636 -27.010 1.00 34.42 N ATOM 638 CA GLU A 41 -20.341 11.102 -25.996 1.00 70.12 C ATOM 639 C GLU A 41 -18.936 10.594 -26.309 1.00 41.20 C ATOM 640 O GLU A 41 -18.596 9.456 -25.987 1.00 61.22 O ATOM 641 CB GLU A 41 -20.795 10.654 -24.605 1.00 73.24 C ATOM 642 CG GLU A 41 -21.384 9.256 -24.585 1.00 15.25 C ATOM 643 CD GLU A 41 -21.784 8.802 -23.198 1.00 34.51 C ATOM 644 OE1 GLU A 41 -22.541 9.530 -22.520 1.00 71.45 O ATOM 645 OE2 GLU A 41 -21.344 7.712 -22.778 1.00 22.13 O ATOM 0 H GLU A 41 -22.052 10.085 -26.651 1.00 34.42 H new ATOM 0 HA GLU A 41 -20.321 12.192 -26.004 1.00 70.12 H new ATOM 0 HB2 GLU A 41 -19.945 10.692 -23.924 1.00 73.24 H new ATOM 0 HB3 GLU A 41 -21.537 11.358 -24.229 1.00 73.24 H new ATOM 0 HG2 GLU A 41 -22.257 9.226 -25.237 1.00 15.25 H new ATOM 0 HG3 GLU A 41 -20.656 8.555 -24.995 1.00 15.25 H new ATOM 652 N LEU A 42 -18.170 11.445 -27.005 1.00 73.01 N ATOM 653 CA LEU A 42 -16.799 11.145 -27.429 1.00 5.20 C ATOM 654 C LEU A 42 -16.078 10.269 -26.402 1.00 71.21 C ATOM 655 O LEU A 42 -15.895 9.069 -26.608 1.00 23.43 O ATOM 656 CB LEU A 42 -16.021 12.455 -27.622 1.00 51.25 C ATOM 657 CG LEU A 42 -14.913 12.437 -28.683 1.00 23.22 C ATOM 658 CD1 LEU A 42 -14.264 13.806 -28.783 1.00 51.23 C ATOM 659 CD2 LEU A 42 -13.862 11.386 -28.375 1.00 53.50 C ATOM 0 H LEU A 42 -18.490 12.370 -27.292 1.00 73.01 H new ATOM 0 HA LEU A 42 -16.847 10.598 -28.370 1.00 5.20 H new ATOM 0 HB2 LEU A 42 -16.731 13.240 -27.882 1.00 51.25 H new ATOM 0 HB3 LEU A 42 -15.576 12.732 -26.667 1.00 51.25 H new ATOM 0 HG LEU A 42 -15.372 12.182 -29.638 1.00 23.22 H new ATOM 0 HD11 LEU A 42 -13.479 13.782 -29.539 1.00 51.23 H new ATOM 0 HD12 LEU A 42 -15.015 14.545 -29.063 1.00 51.23 H new ATOM 0 HD13 LEU A 42 -13.832 14.075 -27.819 1.00 51.23 H new ATOM 0 HD21 LEU A 42 -13.094 11.403 -29.148 1.00 53.50 H new ATOM 0 HD22 LEU A 42 -13.408 11.598 -27.407 1.00 53.50 H new ATOM 0 HD23 LEU A 42 -14.329 10.401 -28.349 1.00 53.50 H new ATOM 671 N HIS A 43 -15.674 10.892 -25.305 1.00 62.24 N ATOM 672 CA HIS A 43 -15.109 10.192 -24.161 1.00 54.52 C ATOM 673 C HIS A 43 -15.479 10.944 -22.895 1.00 54.33 C ATOM 674 O HIS A 43 -14.850 11.948 -22.557 1.00 53.20 O ATOM 675 CB HIS A 43 -13.580 10.066 -24.262 1.00 44.21 C ATOM 676 CG HIS A 43 -13.107 9.030 -25.235 1.00 41.23 C ATOM 677 ND1 HIS A 43 -13.521 7.717 -25.218 1.00 31.15 N ATOM 678 CD2 HIS A 43 -12.235 9.132 -26.269 1.00 5.25 C ATOM 679 CE1 HIS A 43 -12.900 7.077 -26.216 1.00 43.12 C ATOM 680 NE2 HIS A 43 -12.108 7.891 -26.885 1.00 34.40 N ATOM 0 H HIS A 43 -15.729 11.903 -25.183 1.00 62.24 H new ATOM 0 HA HIS A 43 -15.518 9.182 -24.141 1.00 54.52 H new ATOM 0 HB2 HIS A 43 -13.166 11.033 -24.550 1.00 44.21 H new ATOM 0 HB3 HIS A 43 -13.181 9.829 -23.276 1.00 44.21 H new ATOM 0 HD2 HIS A 43 -11.721 10.034 -26.567 1.00 5.25 H new ATOM 0 HE1 HIS A 43 -13.031 6.029 -26.444 1.00 43.12 H new ATOM 0 HE2 HIS A 43 -11.523 7.659 -27.688 1.00 34.40 H new ATOM 688 N LEU A 44 -16.526 10.489 -22.224 1.00 31.45 N ATOM 689 CA LEU A 44 -17.005 11.163 -21.032 1.00 33.55 C ATOM 690 C LEU A 44 -16.047 10.923 -19.873 1.00 41.34 C ATOM 691 O LEU A 44 -15.481 9.835 -19.739 1.00 22.31 O ATOM 692 CB LEU A 44 -18.416 10.684 -20.674 1.00 23.23 C ATOM 693 CG LEU A 44 -19.107 11.467 -19.554 1.00 52.40 C ATOM 694 CD1 LEU A 44 -19.246 12.935 -19.931 1.00 34.52 C ATOM 695 CD2 LEU A 44 -20.469 10.867 -19.252 1.00 54.14 C ATOM 0 H LEU A 44 -17.057 9.658 -22.485 1.00 31.45 H new ATOM 0 HA LEU A 44 -17.049 12.234 -21.230 1.00 33.55 H new ATOM 0 HB2 LEU A 44 -19.037 10.736 -21.568 1.00 23.23 H new ATOM 0 HB3 LEU A 44 -18.363 9.635 -20.383 1.00 23.23 H new ATOM 0 HG LEU A 44 -18.490 11.400 -18.658 1.00 52.40 H new ATOM 0 HD11 LEU A 44 -19.739 13.473 -19.122 1.00 34.52 H new ATOM 0 HD12 LEU A 44 -18.258 13.362 -20.101 1.00 34.52 H new ATOM 0 HD13 LEU A 44 -19.841 13.022 -20.840 1.00 34.52 H new ATOM 0 HD21 LEU A 44 -20.948 11.434 -18.454 1.00 54.14 H new ATOM 0 HD22 LEU A 44 -21.090 10.905 -20.147 1.00 54.14 H new ATOM 0 HD23 LEU A 44 -20.348 9.830 -18.938 1.00 54.14 H new ATOM 707 N THR A 45 -15.852 11.949 -19.055 1.00 52.43 N ATOM 708 CA THR A 45 -14.948 11.860 -17.925 1.00 3.24 C ATOM 709 C THR A 45 -15.498 10.898 -16.887 1.00 2.34 C ATOM 710 O THR A 45 -16.372 11.246 -16.094 1.00 2.22 O ATOM 711 CB THR A 45 -14.734 13.233 -17.273 1.00 52.24 C ATOM 712 OG1 THR A 45 -14.692 14.251 -18.284 1.00 61.41 O ATOM 713 CG2 THR A 45 -13.439 13.254 -16.473 1.00 33.34 C ATOM 0 H THR A 45 -16.311 12.854 -19.157 1.00 52.43 H new ATOM 0 HA THR A 45 -13.991 11.495 -18.297 1.00 3.24 H new ATOM 0 HB THR A 45 -15.566 13.426 -16.595 1.00 52.24 H new ATOM 0 HG1 THR A 45 -14.557 15.125 -17.862 1.00 61.41 H new ATOM 0 HG21 THR A 45 -13.307 14.236 -16.020 1.00 33.34 H new ATOM 0 HG22 THR A 45 -13.482 12.496 -15.691 1.00 33.34 H new ATOM 0 HG23 THR A 45 -12.599 13.044 -17.135 1.00 33.34 H new ATOM 721 N LYS A 46 -15.000 9.685 -16.913 1.00 10.25 N ATOM 722 CA LYS A 46 -15.484 8.660 -16.020 1.00 71.51 C ATOM 723 C LYS A 46 -14.486 8.429 -14.897 1.00 71.34 C ATOM 724 O LYS A 46 -13.293 8.694 -15.048 1.00 31.43 O ATOM 725 CB LYS A 46 -15.767 7.367 -16.797 1.00 33.23 C ATOM 726 CG LYS A 46 -14.664 6.324 -16.717 1.00 62.13 C ATOM 727 CD LYS A 46 -13.409 6.757 -17.447 1.00 50.11 C ATOM 728 CE LYS A 46 -12.219 5.966 -16.954 1.00 13.03 C ATOM 729 NZ LYS A 46 -10.986 6.281 -17.720 1.00 64.31 N ATOM 0 H LYS A 46 -14.258 9.383 -17.545 1.00 10.25 H new ATOM 0 HA LYS A 46 -16.421 8.990 -15.572 1.00 71.51 H new ATOM 0 HB2 LYS A 46 -16.691 6.928 -16.421 1.00 33.23 H new ATOM 0 HB3 LYS A 46 -15.936 7.618 -17.844 1.00 33.23 H new ATOM 0 HG2 LYS A 46 -14.425 6.131 -15.671 1.00 62.13 H new ATOM 0 HG3 LYS A 46 -15.023 5.386 -17.141 1.00 62.13 H new ATOM 0 HD2 LYS A 46 -13.534 6.609 -18.520 1.00 50.11 H new ATOM 0 HD3 LYS A 46 -13.237 7.822 -17.290 1.00 50.11 H new ATOM 0 HE2 LYS A 46 -12.054 6.179 -15.898 1.00 13.03 H new ATOM 0 HE3 LYS A 46 -12.433 4.900 -17.034 1.00 13.03 H new ATOM 0 HZ1 LYS A 46 -10.194 5.717 -17.350 1.00 64.31 H new ATOM 0 HZ2 LYS A 46 -11.133 6.054 -18.724 1.00 64.31 H new ATOM 0 HZ3 LYS A 46 -10.766 7.293 -17.623 1.00 64.31 H new ATOM 743 N TYR A 47 -14.976 7.953 -13.774 1.00 11.13 N ATOM 744 CA TYR A 47 -14.130 7.695 -12.631 1.00 21.15 C ATOM 745 C TYR A 47 -14.324 6.279 -12.133 1.00 74.05 C ATOM 746 O TYR A 47 -15.430 5.737 -12.168 1.00 44.02 O ATOM 747 CB TYR A 47 -14.419 8.700 -11.514 1.00 61.24 C ATOM 748 CG TYR A 47 -13.916 10.100 -11.801 1.00 3.01 C ATOM 749 CD1 TYR A 47 -14.643 10.980 -12.594 1.00 1.21 C ATOM 750 CD2 TYR A 47 -12.708 10.536 -11.278 1.00 42.52 C ATOM 751 CE1 TYR A 47 -14.176 12.254 -12.855 1.00 70.44 C ATOM 752 CE2 TYR A 47 -12.235 11.807 -11.533 1.00 42.43 C ATOM 753 CZ TYR A 47 -12.972 12.661 -12.323 1.00 30.32 C ATOM 754 OH TYR A 47 -12.504 13.928 -12.581 1.00 33.02 O ATOM 0 H TYR A 47 -15.962 7.736 -13.628 1.00 11.13 H new ATOM 0 HA TYR A 47 -13.091 7.810 -12.940 1.00 21.15 H new ATOM 0 HB2 TYR A 47 -15.495 8.739 -11.344 1.00 61.24 H new ATOM 0 HB3 TYR A 47 -13.963 8.343 -10.591 1.00 61.24 H new ATOM 0 HD1 TYR A 47 -15.587 10.663 -13.012 1.00 1.21 H new ATOM 0 HD2 TYR A 47 -12.126 9.868 -10.660 1.00 42.52 H new ATOM 0 HE1 TYR A 47 -14.752 12.927 -13.473 1.00 70.44 H new ATOM 0 HE2 TYR A 47 -11.293 12.130 -11.116 1.00 42.43 H new ATOM 0 HH TYR A 47 -11.643 14.057 -12.131 1.00 33.02 H new ATOM 764 N TYR A 48 -13.233 5.682 -11.695 1.00 44.42 N ATOM 765 CA TYR A 48 -13.261 4.340 -11.151 1.00 21.14 C ATOM 766 C TYR A 48 -13.810 4.360 -9.738 1.00 75.35 C ATOM 767 O TYR A 48 -13.149 4.830 -8.811 1.00 2.12 O ATOM 768 CB TYR A 48 -11.863 3.721 -11.147 1.00 34.41 C ATOM 769 CG TYR A 48 -11.330 3.388 -12.520 1.00 41.22 C ATOM 770 CD1 TYR A 48 -12.153 3.422 -13.639 1.00 3.43 C ATOM 771 CD2 TYR A 48 -10.002 3.028 -12.693 1.00 74.34 C ATOM 772 CE1 TYR A 48 -11.665 3.109 -14.891 1.00 54.02 C ATOM 773 CE2 TYR A 48 -9.508 2.711 -13.940 1.00 32.24 C ATOM 774 CZ TYR A 48 -10.343 2.752 -15.036 1.00 50.25 C ATOM 775 OH TYR A 48 -9.855 2.432 -16.280 1.00 55.11 O ATOM 0 H TYR A 48 -12.308 6.111 -11.706 1.00 44.42 H new ATOM 0 HA TYR A 48 -13.909 3.734 -11.784 1.00 21.14 H new ATOM 0 HB2 TYR A 48 -11.174 4.411 -10.659 1.00 34.41 H new ATOM 0 HB3 TYR A 48 -11.882 2.812 -10.546 1.00 34.41 H new ATOM 0 HD1 TYR A 48 -13.191 3.698 -13.527 1.00 3.43 H new ATOM 0 HD2 TYR A 48 -9.344 2.996 -11.837 1.00 74.34 H new ATOM 0 HE1 TYR A 48 -12.316 3.144 -15.752 1.00 54.02 H new ATOM 0 HE2 TYR A 48 -8.471 2.432 -14.058 1.00 32.24 H new ATOM 0 HH TYR A 48 -8.904 2.204 -16.210 1.00 55.11 H new ATOM 785 N GLY A 49 -15.029 3.884 -9.586 1.00 62.13 N ATOM 786 CA GLY A 49 -15.610 3.759 -8.273 1.00 43.22 C ATOM 787 C GLY A 49 -15.195 2.464 -7.613 1.00 22.23 C ATOM 788 O GLY A 49 -15.989 1.526 -7.504 1.00 55.15 O ATOM 0 H GLY A 49 -15.630 3.580 -10.352 1.00 62.13 H new ATOM 0 HA2 GLY A 49 -15.301 4.601 -7.654 1.00 43.22 H new ATOM 0 HA3 GLY A 49 -16.697 3.800 -8.348 1.00 43.22 H new ATOM 792 N PHE A 50 -13.936 2.398 -7.202 1.00 71.24 N ATOM 793 CA PHE A 50 -13.424 1.234 -6.504 1.00 61.41 C ATOM 794 C PHE A 50 -14.140 1.081 -5.177 1.00 32.10 C ATOM 795 O PHE A 50 -14.357 2.060 -4.464 1.00 15.13 O ATOM 796 CB PHE A 50 -11.918 1.352 -6.277 1.00 11.43 C ATOM 797 CG PHE A 50 -11.092 0.640 -7.308 1.00 34.40 C ATOM 798 CD1 PHE A 50 -10.921 -0.733 -7.236 1.00 71.01 C ATOM 799 CD2 PHE A 50 -10.480 1.333 -8.340 1.00 21.42 C ATOM 800 CE1 PHE A 50 -10.158 -1.400 -8.171 1.00 75.52 C ATOM 801 CE2 PHE A 50 -9.716 0.672 -9.273 1.00 52.24 C ATOM 802 CZ PHE A 50 -9.552 -0.694 -9.191 1.00 3.11 C ATOM 0 H PHE A 50 -13.251 3.141 -7.342 1.00 71.24 H new ATOM 0 HA PHE A 50 -13.606 0.352 -7.119 1.00 61.41 H new ATOM 0 HB2 PHE A 50 -11.643 2.407 -6.270 1.00 11.43 H new ATOM 0 HB3 PHE A 50 -11.676 0.953 -5.292 1.00 11.43 H new ATOM 0 HD1 PHE A 50 -11.391 -1.288 -6.438 1.00 71.01 H new ATOM 0 HD2 PHE A 50 -10.604 2.403 -8.412 1.00 21.42 H new ATOM 0 HE1 PHE A 50 -10.035 -2.471 -8.106 1.00 75.52 H new ATOM 0 HE2 PHE A 50 -9.243 1.224 -10.072 1.00 52.24 H new ATOM 0 HZ PHE A 50 -8.950 -1.211 -9.924 1.00 3.11 H new ATOM 812 N SER A 51 -14.545 -0.130 -4.861 1.00 44.43 N ATOM 813 CA SER A 51 -15.259 -0.381 -3.626 1.00 44.05 C ATOM 814 C SER A 51 -15.016 -1.806 -3.159 1.00 12.12 C ATOM 815 O SER A 51 -14.599 -2.663 -3.940 1.00 32.23 O ATOM 816 CB SER A 51 -16.757 -0.158 -3.828 1.00 60.44 C ATOM 817 OG SER A 51 -17.010 1.052 -4.517 1.00 24.03 O ATOM 0 H SER A 51 -14.393 -0.956 -5.440 1.00 44.43 H new ATOM 0 HA SER A 51 -14.893 0.311 -2.868 1.00 44.05 H new ATOM 0 HB2 SER A 51 -17.178 -0.993 -4.388 1.00 60.44 H new ATOM 0 HB3 SER A 51 -17.257 -0.139 -2.860 1.00 60.44 H new ATOM 0 HG SER A 51 -16.849 1.810 -3.917 1.00 24.03 H new ATOM 823 N PHE A 52 -15.280 -2.058 -1.892 1.00 74.14 N ATOM 824 CA PHE A 52 -15.178 -3.403 -1.361 1.00 63.43 C ATOM 825 C PHE A 52 -16.536 -3.875 -0.878 1.00 1.43 C ATOM 826 O PHE A 52 -17.194 -3.202 -0.073 1.00 20.32 O ATOM 827 CB PHE A 52 -14.159 -3.471 -0.222 1.00 71.42 C ATOM 828 CG PHE A 52 -13.811 -4.878 0.170 1.00 60.54 C ATOM 829 CD1 PHE A 52 -14.614 -5.586 1.048 1.00 71.23 C ATOM 830 CD2 PHE A 52 -12.690 -5.496 -0.353 1.00 43.35 C ATOM 831 CE1 PHE A 52 -14.306 -6.882 1.398 1.00 73.24 C ATOM 832 CE2 PHE A 52 -12.377 -6.796 -0.009 1.00 41.33 C ATOM 833 CZ PHE A 52 -13.187 -7.490 0.867 1.00 63.42 C ATOM 0 H PHE A 52 -15.566 -1.352 -1.213 1.00 74.14 H new ATOM 0 HA PHE A 52 -14.834 -4.059 -2.160 1.00 63.43 H new ATOM 0 HB2 PHE A 52 -13.251 -2.948 -0.522 1.00 71.42 H new ATOM 0 HB3 PHE A 52 -14.557 -2.946 0.646 1.00 71.42 H new ATOM 0 HD1 PHE A 52 -15.493 -5.116 1.464 1.00 71.23 H new ATOM 0 HD2 PHE A 52 -12.053 -4.956 -1.038 1.00 43.35 H new ATOM 0 HE1 PHE A 52 -14.939 -7.421 2.087 1.00 73.24 H new ATOM 0 HE2 PHE A 52 -11.500 -7.269 -0.425 1.00 41.33 H new ATOM 0 HZ PHE A 52 -12.945 -8.508 1.136 1.00 63.42 H new ATOM 843 N PHE A 53 -16.926 -5.042 -1.368 1.00 54.24 N ATOM 844 CA PHE A 53 -18.226 -5.618 -1.074 1.00 33.31 C ATOM 845 C PHE A 53 -18.172 -6.575 0.104 1.00 10.22 C ATOM 846 O PHE A 53 -17.226 -7.346 0.259 1.00 3.31 O ATOM 847 CB PHE A 53 -18.771 -6.358 -2.289 1.00 73.31 C ATOM 848 CG PHE A 53 -19.858 -5.613 -2.993 1.00 1.43 C ATOM 849 CD1 PHE A 53 -21.056 -5.358 -2.352 1.00 34.52 C ATOM 850 CD2 PHE A 53 -19.688 -5.178 -4.289 1.00 45.33 C ATOM 851 CE1 PHE A 53 -22.069 -4.679 -2.992 1.00 3.12 C ATOM 852 CE2 PHE A 53 -20.701 -4.498 -4.938 1.00 55.41 C ATOM 853 CZ PHE A 53 -21.893 -4.249 -4.288 1.00 61.14 C ATOM 0 H PHE A 53 -16.348 -5.616 -1.982 1.00 54.24 H new ATOM 0 HA PHE A 53 -18.886 -4.790 -0.816 1.00 33.31 H new ATOM 0 HB2 PHE A 53 -17.956 -6.545 -2.988 1.00 73.31 H new ATOM 0 HB3 PHE A 53 -19.151 -7.330 -1.974 1.00 73.31 H new ATOM 0 HD1 PHE A 53 -21.199 -5.696 -1.336 1.00 34.52 H new ATOM 0 HD2 PHE A 53 -18.757 -5.370 -4.801 1.00 45.33 H new ATOM 0 HE1 PHE A 53 -22.999 -4.484 -2.479 1.00 3.12 H new ATOM 0 HE2 PHE A 53 -20.560 -4.161 -5.954 1.00 55.41 H new ATOM 0 HZ PHE A 53 -22.685 -3.718 -4.795 1.00 61.14 H new ATOM 863 N ARG A 54 -19.208 -6.517 0.916 1.00 4.13 N ATOM 864 CA ARG A 54 -19.360 -7.397 2.060 1.00 52.23 C ATOM 865 C ARG A 54 -20.842 -7.703 2.268 1.00 55.13 C ATOM 866 O ARG A 54 -21.593 -6.833 2.706 1.00 4.24 O ATOM 867 CB ARG A 54 -18.786 -6.723 3.304 1.00 14.31 C ATOM 868 CG ARG A 54 -19.128 -7.417 4.610 1.00 43.15 C ATOM 869 CD ARG A 54 -18.540 -8.814 4.686 1.00 35.44 C ATOM 870 NE ARG A 54 -18.790 -9.420 5.991 1.00 52.33 N ATOM 871 CZ ARG A 54 -18.020 -9.207 7.053 1.00 32.52 C ATOM 872 NH1 ARG A 54 -16.965 -8.420 6.941 1.00 61.05 N ATOM 873 NH2 ARG A 54 -18.314 -9.764 8.224 1.00 53.13 N ATOM 0 H ARG A 54 -19.974 -5.854 0.801 1.00 4.13 H new ATOM 0 HA ARG A 54 -18.822 -8.328 1.881 1.00 52.23 H new ATOM 0 HB2 ARG A 54 -17.701 -6.673 3.207 1.00 14.31 H new ATOM 0 HB3 ARG A 54 -19.150 -5.696 3.346 1.00 14.31 H new ATOM 0 HG2 ARG A 54 -18.756 -6.822 5.444 1.00 43.15 H new ATOM 0 HG3 ARG A 54 -20.211 -7.474 4.717 1.00 43.15 H new ATOM 0 HD2 ARG A 54 -18.973 -9.437 3.903 1.00 35.44 H new ATOM 0 HD3 ARG A 54 -17.467 -8.771 4.502 1.00 35.44 H new ATOM 0 HE ARG A 54 -19.596 -10.037 6.092 1.00 52.33 H new ATOM 0 HH11 ARG A 54 -16.748 -7.982 6.046 1.00 61.05 H new ATOM 0 HH12 ARG A 54 -16.367 -8.250 7.750 1.00 61.05 H new ATOM 0 HH21 ARG A 54 -19.137 -10.361 8.313 1.00 53.13 H new ATOM 0 HH22 ARG A 54 -17.717 -9.595 9.034 1.00 53.13 H new ATOM 887 N HIS A 55 -21.263 -8.921 1.926 1.00 62.44 N ATOM 888 CA HIS A 55 -22.673 -9.326 2.053 1.00 55.44 C ATOM 889 C HIS A 55 -23.599 -8.438 1.226 1.00 63.22 C ATOM 890 O HIS A 55 -24.771 -8.263 1.563 1.00 42.33 O ATOM 891 CB HIS A 55 -23.123 -9.301 3.516 1.00 23.21 C ATOM 892 CG HIS A 55 -22.813 -10.557 4.260 1.00 43.42 C ATOM 893 ND1 HIS A 55 -23.777 -11.412 4.752 1.00 21.43 N ATOM 894 CD2 HIS A 55 -21.620 -11.102 4.603 1.00 22.32 C ATOM 895 CE1 HIS A 55 -23.154 -12.424 5.358 1.00 54.24 C ATOM 896 NE2 HIS A 55 -21.848 -12.281 5.295 1.00 64.04 N ATOM 0 H HIS A 55 -20.651 -9.649 1.558 1.00 62.44 H new ATOM 0 HA HIS A 55 -22.739 -10.345 1.671 1.00 55.44 H new ATOM 0 HB2 HIS A 55 -22.643 -8.462 4.020 1.00 23.21 H new ATOM 0 HB3 HIS A 55 -24.198 -9.123 3.553 1.00 23.21 H new ATOM 0 HD1 HIS A 55 -24.786 -11.292 4.668 1.00 21.43 H new ATOM 0 HD2 HIS A 55 -20.650 -10.685 4.374 1.00 22.32 H new ATOM 0 HE1 HIS A 55 -23.656 -13.252 5.837 1.00 54.24 H new ATOM 904 N GLY A 56 -23.080 -7.891 0.144 1.00 54.02 N ATOM 905 CA GLY A 56 -23.879 -7.023 -0.693 1.00 22.12 C ATOM 906 C GLY A 56 -23.855 -5.583 -0.223 1.00 22.23 C ATOM 907 O GLY A 56 -24.510 -4.722 -0.809 1.00 12.13 O ATOM 0 H GLY A 56 -22.120 -8.031 -0.172 1.00 54.02 H new ATOM 0 HA2 GLY A 56 -23.512 -7.074 -1.718 1.00 22.12 H new ATOM 0 HA3 GLY A 56 -24.908 -7.381 -0.705 1.00 22.12 H new ATOM 911 N ASN A 57 -23.107 -5.317 0.840 1.00 62.51 N ATOM 912 CA ASN A 57 -22.940 -3.957 1.331 1.00 22.55 C ATOM 913 C ASN A 57 -21.586 -3.433 0.909 1.00 11.13 C ATOM 914 O ASN A 57 -20.753 -4.183 0.399 1.00 1.34 O ATOM 915 CB ASN A 57 -23.032 -3.883 2.858 1.00 61.53 C ATOM 916 CG ASN A 57 -24.228 -4.610 3.426 1.00 21.35 C ATOM 917 OD1 ASN A 57 -25.325 -4.061 3.525 1.00 61.12 O ATOM 918 ND2 ASN A 57 -24.010 -5.847 3.828 1.00 23.45 N ATOM 0 H ASN A 57 -22.607 -6.025 1.378 1.00 62.51 H new ATOM 0 HA ASN A 57 -23.744 -3.355 0.907 1.00 22.55 H new ATOM 0 HB2 ASN A 57 -22.123 -4.303 3.289 1.00 61.53 H new ATOM 0 HB3 ASN A 57 -23.075 -2.837 3.161 1.00 61.53 H new ATOM 0 HD21 ASN A 57 -24.768 -6.390 4.241 1.00 23.45 H new ATOM 0 HD22 ASN A 57 -23.083 -6.261 3.726 1.00 23.45 H new ATOM 925 N ILE A 58 -21.357 -2.164 1.157 1.00 5.24 N ATOM 926 CA ILE A 58 -20.107 -1.526 0.787 1.00 71.43 C ATOM 927 C ILE A 58 -19.323 -1.140 2.032 1.00 2.32 C ATOM 928 O ILE A 58 -19.748 -0.290 2.815 1.00 44.20 O ATOM 929 CB ILE A 58 -20.352 -0.280 -0.093 1.00 4.14 C ATOM 930 CG1 ILE A 58 -20.838 -0.703 -1.485 1.00 25.22 C ATOM 931 CG2 ILE A 58 -19.090 0.570 -0.199 1.00 44.54 C ATOM 932 CD1 ILE A 58 -19.746 -1.272 -2.367 1.00 23.24 C ATOM 0 H ILE A 58 -22.025 -1.545 1.618 1.00 5.24 H new ATOM 0 HA ILE A 58 -19.525 -2.242 0.206 1.00 71.43 H new ATOM 0 HB ILE A 58 -21.125 0.327 0.378 1.00 4.14 H new ATOM 0 HG12 ILE A 58 -21.627 -1.447 -1.374 1.00 25.22 H new ATOM 0 HG13 ILE A 58 -21.281 0.160 -1.982 1.00 25.22 H new ATOM 0 HG21 ILE A 58 -19.289 1.441 -0.824 1.00 44.54 H new ATOM 0 HG22 ILE A 58 -18.788 0.898 0.795 1.00 44.54 H new ATOM 0 HG23 ILE A 58 -18.290 -0.021 -0.645 1.00 44.54 H new ATOM 0 HD11 ILE A 58 -20.166 -1.548 -3.334 1.00 23.24 H new ATOM 0 HD12 ILE A 58 -18.967 -0.523 -2.510 1.00 23.24 H new ATOM 0 HD13 ILE A 58 -19.318 -2.155 -1.892 1.00 23.24 H new ATOM 944 N VAL A 59 -18.188 -1.788 2.219 1.00 53.13 N ATOM 945 CA VAL A 59 -17.327 -1.498 3.354 1.00 74.24 C ATOM 946 C VAL A 59 -16.301 -0.435 2.984 1.00 63.33 C ATOM 947 O VAL A 59 -15.959 0.428 3.792 1.00 41.54 O ATOM 948 CB VAL A 59 -16.600 -2.762 3.858 1.00 0.34 C ATOM 949 CG1 VAL A 59 -15.603 -2.415 4.953 1.00 31.23 C ATOM 950 CG2 VAL A 59 -17.598 -3.787 4.367 1.00 3.22 C ATOM 0 H VAL A 59 -17.839 -2.520 1.600 1.00 53.13 H new ATOM 0 HA VAL A 59 -17.964 -1.128 4.157 1.00 74.24 H new ATOM 0 HB VAL A 59 -16.054 -3.192 3.018 1.00 0.34 H new ATOM 0 HG11 VAL A 59 -15.104 -3.323 5.291 1.00 31.23 H new ATOM 0 HG12 VAL A 59 -14.862 -1.717 4.563 1.00 31.23 H new ATOM 0 HG13 VAL A 59 -16.128 -1.956 5.791 1.00 31.23 H new ATOM 0 HG21 VAL A 59 -17.065 -4.671 4.718 1.00 3.22 H new ATOM 0 HG22 VAL A 59 -18.172 -3.359 5.189 1.00 3.22 H new ATOM 0 HG23 VAL A 59 -18.275 -4.068 3.560 1.00 3.22 H new ATOM 960 N ALA A 60 -15.816 -0.496 1.755 1.00 23.40 N ATOM 961 CA ALA A 60 -14.832 0.469 1.293 1.00 30.23 C ATOM 962 C ALA A 60 -15.278 1.110 -0.004 1.00 74.54 C ATOM 963 O ALA A 60 -15.911 0.459 -0.832 1.00 71.30 O ATOM 964 CB ALA A 60 -13.476 -0.190 1.110 1.00 15.01 C ATOM 0 H ALA A 60 -16.084 -1.197 1.064 1.00 23.40 H new ATOM 0 HA ALA A 60 -14.741 1.246 2.052 1.00 30.23 H new ATOM 0 HB1 ALA A 60 -12.755 0.551 0.764 1.00 15.01 H new ATOM 0 HB2 ALA A 60 -13.142 -0.605 2.061 1.00 15.01 H new ATOM 0 HB3 ALA A 60 -13.556 -0.990 0.374 1.00 15.01 H new ATOM 970 N TYR A 61 -14.956 2.382 -0.169 1.00 24.44 N ATOM 971 CA TYR A 61 -15.279 3.100 -1.388 1.00 42.14 C ATOM 972 C TYR A 61 -14.195 4.130 -1.695 1.00 41.21 C ATOM 973 O TYR A 61 -13.729 4.835 -0.800 1.00 31.53 O ATOM 974 CB TYR A 61 -16.647 3.780 -1.258 1.00 13.22 C ATOM 975 CG TYR A 61 -17.118 4.439 -2.535 1.00 10.44 C ATOM 976 CD1 TYR A 61 -17.766 3.695 -3.507 1.00 70.43 C ATOM 977 CD2 TYR A 61 -16.911 5.792 -2.776 1.00 1.11 C ATOM 978 CE1 TYR A 61 -18.192 4.269 -4.685 1.00 71.30 C ATOM 979 CE2 TYR A 61 -17.338 6.378 -3.954 1.00 41.04 C ATOM 980 CZ TYR A 61 -17.978 5.611 -4.905 1.00 22.22 C ATOM 981 OH TYR A 61 -18.397 6.191 -6.078 1.00 1.40 O ATOM 0 H TYR A 61 -14.468 2.941 0.531 1.00 24.44 H new ATOM 0 HA TYR A 61 -15.325 2.389 -2.213 1.00 42.14 H new ATOM 0 HB2 TYR A 61 -17.384 3.039 -0.948 1.00 13.22 H new ATOM 0 HB3 TYR A 61 -16.597 4.530 -0.469 1.00 13.22 H new ATOM 0 HD1 TYR A 61 -17.941 2.643 -3.338 1.00 70.43 H new ATOM 0 HD2 TYR A 61 -16.410 6.394 -2.033 1.00 1.11 H new ATOM 0 HE1 TYR A 61 -18.691 3.669 -5.432 1.00 71.30 H new ATOM 0 HE2 TYR A 61 -17.171 7.431 -4.128 1.00 41.04 H new ATOM 0 HH TYR A 61 -19.124 5.659 -6.465 1.00 1.40 H new ATOM 991 N GLY A 62 -13.787 4.193 -2.953 1.00 53.34 N ATOM 992 CA GLY A 62 -12.789 5.151 -3.371 1.00 72.44 C ATOM 993 C GLY A 62 -12.887 5.449 -4.851 1.00 45.00 C ATOM 994 O GLY A 62 -12.548 4.610 -5.681 1.00 55.41 O ATOM 0 H GLY A 62 -14.135 3.590 -3.698 1.00 53.34 H new ATOM 0 HA2 GLY A 62 -12.911 6.074 -2.805 1.00 72.44 H new ATOM 0 HA3 GLY A 62 -11.796 4.765 -3.142 1.00 72.44 H new ATOM 998 N LYS A 63 -13.366 6.638 -5.184 1.00 35.23 N ATOM 999 CA LYS A 63 -13.533 7.029 -6.575 1.00 32.24 C ATOM 1000 C LYS A 63 -12.396 7.938 -7.028 1.00 53.03 C ATOM 1001 O LYS A 63 -12.107 8.953 -6.392 1.00 44.20 O ATOM 1002 CB LYS A 63 -14.877 7.737 -6.767 1.00 34.12 C ATOM 1003 CG LYS A 63 -15.069 8.313 -8.160 1.00 73.34 C ATOM 1004 CD LYS A 63 -16.401 9.028 -8.288 1.00 63.21 C ATOM 1005 CE LYS A 63 -17.564 8.057 -8.193 1.00 3.40 C ATOM 1006 NZ LYS A 63 -18.871 8.759 -8.117 1.00 21.32 N ATOM 0 H LYS A 63 -13.646 7.349 -4.509 1.00 35.23 H new ATOM 0 HA LYS A 63 -13.513 6.126 -7.185 1.00 32.24 H new ATOM 0 HB2 LYS A 63 -15.682 7.032 -6.561 1.00 34.12 H new ATOM 0 HB3 LYS A 63 -14.962 8.541 -6.036 1.00 34.12 H new ATOM 0 HG2 LYS A 63 -14.259 9.008 -8.382 1.00 73.34 H new ATOM 0 HG3 LYS A 63 -15.013 7.512 -8.897 1.00 73.34 H new ATOM 0 HD2 LYS A 63 -16.488 9.780 -7.504 1.00 63.21 H new ATOM 0 HD3 LYS A 63 -16.442 9.555 -9.241 1.00 63.21 H new ATOM 0 HE2 LYS A 63 -17.557 7.397 -9.061 1.00 3.40 H new ATOM 0 HE3 LYS A 63 -17.439 7.427 -7.312 1.00 3.40 H new ATOM 0 HZ1 LYS A 63 -19.622 8.073 -7.901 1.00 21.32 H new ATOM 0 HZ2 LYS A 63 -18.835 9.480 -7.368 1.00 21.32 H new ATOM 0 HZ3 LYS A 63 -19.073 9.217 -9.029 1.00 21.32 H new ATOM 1020 N SER A 64 -11.747 7.555 -8.117 1.00 14.44 N ATOM 1021 CA SER A 64 -10.686 8.357 -8.712 1.00 14.01 C ATOM 1022 C SER A 64 -10.541 8.017 -10.191 1.00 53.22 C ATOM 1023 O SER A 64 -11.008 6.969 -10.637 1.00 15.21 O ATOM 1024 CB SER A 64 -9.354 8.113 -7.993 1.00 43.41 C ATOM 1025 OG SER A 64 -9.428 8.476 -6.625 1.00 14.30 O ATOM 0 H SER A 64 -11.939 6.684 -8.612 1.00 14.44 H new ATOM 0 HA SER A 64 -10.952 9.409 -8.607 1.00 14.01 H new ATOM 0 HB2 SER A 64 -9.081 7.061 -8.077 1.00 43.41 H new ATOM 0 HB3 SER A 64 -8.566 8.687 -8.481 1.00 43.41 H new ATOM 0 HG SER A 64 -10.324 8.819 -6.426 1.00 14.30 H new ATOM 1031 N ARG A 65 -9.909 8.902 -10.952 1.00 62.21 N ATOM 1032 CA ARG A 65 -9.608 8.614 -12.347 1.00 4.30 C ATOM 1033 C ARG A 65 -8.273 7.891 -12.421 1.00 12.14 C ATOM 1034 O ARG A 65 -7.895 7.338 -13.454 1.00 53.32 O ATOM 1035 CB ARG A 65 -9.582 9.889 -13.197 1.00 31.33 C ATOM 1036 CG ARG A 65 -8.500 10.881 -12.807 1.00 65.21 C ATOM 1037 CD ARG A 65 -8.438 12.035 -13.794 1.00 40.03 C ATOM 1038 NE ARG A 65 -8.112 11.580 -15.145 1.00 53.11 N ATOM 1039 CZ ARG A 65 -8.302 12.306 -16.246 1.00 70.31 C ATOM 1040 NH1 ARG A 65 -8.835 13.519 -16.164 1.00 51.12 N ATOM 1041 NH2 ARG A 65 -7.952 11.814 -17.430 1.00 52.21 N ATOM 0 H ARG A 65 -9.597 9.818 -10.629 1.00 62.21 H new ATOM 0 HA ARG A 65 -10.396 7.980 -12.753 1.00 4.30 H new ATOM 0 HB2 ARG A 65 -9.444 9.612 -14.242 1.00 31.33 H new ATOM 0 HB3 ARG A 65 -10.552 10.380 -13.123 1.00 31.33 H new ATOM 0 HG2 ARG A 65 -8.697 11.264 -11.806 1.00 65.21 H new ATOM 0 HG3 ARG A 65 -7.535 10.376 -12.771 1.00 65.21 H new ATOM 0 HD2 ARG A 65 -9.397 12.554 -13.807 1.00 40.03 H new ATOM 0 HD3 ARG A 65 -7.690 12.756 -13.463 1.00 40.03 H new ATOM 0 HE ARG A 65 -7.714 10.647 -15.251 1.00 53.11 H new ATOM 0 HH11 ARG A 65 -9.101 13.899 -15.255 1.00 51.12 H new ATOM 0 HH12 ARG A 65 -8.979 14.071 -17.010 1.00 51.12 H new ATOM 0 HH21 ARG A 65 -7.539 10.883 -17.494 1.00 52.21 H new ATOM 0 HH22 ARG A 65 -8.096 12.367 -18.275 1.00 52.21 H new ATOM 1055 N LYS A 66 -7.558 7.923 -11.305 1.00 45.22 N ATOM 1056 CA LYS A 66 -6.353 7.137 -11.136 1.00 65.31 C ATOM 1057 C LYS A 66 -6.731 5.808 -10.500 1.00 32.14 C ATOM 1058 O LYS A 66 -7.234 5.786 -9.374 1.00 40.12 O ATOM 1059 CB LYS A 66 -5.359 7.867 -10.230 1.00 64.33 C ATOM 1060 CG LYS A 66 -5.000 9.272 -10.684 1.00 23.32 C ATOM 1061 CD LYS A 66 -4.175 9.267 -11.958 1.00 40.24 C ATOM 1062 CE LYS A 66 -3.601 10.648 -12.245 1.00 72.31 C ATOM 1063 NZ LYS A 66 -2.706 11.116 -11.152 1.00 54.23 N ATOM 0 H LYS A 66 -7.800 8.495 -10.495 1.00 45.22 H new ATOM 0 HA LYS A 66 -5.885 6.978 -12.107 1.00 65.31 H new ATOM 0 HB2 LYS A 66 -5.776 7.920 -9.224 1.00 64.33 H new ATOM 0 HB3 LYS A 66 -4.445 7.276 -10.165 1.00 64.33 H new ATOM 0 HG2 LYS A 66 -5.913 9.845 -10.846 1.00 23.32 H new ATOM 0 HG3 LYS A 66 -4.444 9.777 -9.894 1.00 23.32 H new ATOM 0 HD2 LYS A 66 -3.364 8.544 -11.867 1.00 40.24 H new ATOM 0 HD3 LYS A 66 -4.795 8.946 -12.795 1.00 40.24 H new ATOM 0 HE2 LYS A 66 -3.046 10.623 -13.183 1.00 72.31 H new ATOM 0 HE3 LYS A 66 -4.416 11.360 -12.376 1.00 72.31 H new ATOM 0 HZ1 LYS A 66 -2.072 11.856 -11.515 1.00 54.23 H new ATOM 0 HZ2 LYS A 66 -3.279 11.502 -10.375 1.00 54.23 H new ATOM 0 HZ3 LYS A 66 -2.140 10.317 -10.801 1.00 54.23 H new ATOM 1077 N VAL A 67 -6.505 4.714 -11.214 1.00 60.22 N ATOM 1078 CA VAL A 67 -6.854 3.389 -10.712 1.00 40.11 C ATOM 1079 C VAL A 67 -6.161 3.121 -9.372 1.00 20.30 C ATOM 1080 O VAL A 67 -6.765 2.580 -8.450 1.00 25.23 O ATOM 1081 CB VAL A 67 -6.495 2.283 -11.740 1.00 10.22 C ATOM 1082 CG1 VAL A 67 -5.002 2.223 -11.985 1.00 21.54 C ATOM 1083 CG2 VAL A 67 -7.007 0.922 -11.297 1.00 1.22 C ATOM 0 H VAL A 67 -6.082 4.716 -12.142 1.00 60.22 H new ATOM 0 HA VAL A 67 -7.933 3.365 -10.558 1.00 40.11 H new ATOM 0 HB VAL A 67 -6.989 2.546 -12.676 1.00 10.22 H new ATOM 0 HG11 VAL A 67 -4.783 1.439 -12.709 1.00 21.54 H new ATOM 0 HG12 VAL A 67 -4.658 3.182 -12.373 1.00 21.54 H new ATOM 0 HG13 VAL A 67 -4.488 2.006 -11.049 1.00 21.54 H new ATOM 0 HG21 VAL A 67 -6.738 0.172 -12.041 1.00 1.22 H new ATOM 0 HG22 VAL A 67 -6.560 0.659 -10.338 1.00 1.22 H new ATOM 0 HG23 VAL A 67 -8.092 0.957 -11.194 1.00 1.22 H new ATOM 1093 N ALA A 68 -4.907 3.549 -9.257 1.00 25.22 N ATOM 1094 CA ALA A 68 -4.134 3.349 -8.040 1.00 64.53 C ATOM 1095 C ALA A 68 -4.660 4.218 -6.904 1.00 52.23 C ATOM 1096 O ALA A 68 -4.723 3.778 -5.759 1.00 24.05 O ATOM 1097 CB ALA A 68 -2.660 3.635 -8.295 1.00 53.45 C ATOM 0 H ALA A 68 -4.404 4.039 -9.997 1.00 25.22 H new ATOM 0 HA ALA A 68 -4.241 2.307 -7.740 1.00 64.53 H new ATOM 0 HB1 ALA A 68 -2.095 3.481 -7.376 1.00 53.45 H new ATOM 0 HB2 ALA A 68 -2.287 2.962 -9.067 1.00 53.45 H new ATOM 0 HB3 ALA A 68 -2.541 4.667 -8.625 1.00 53.45 H new ATOM 1103 N ASN A 69 -5.050 5.444 -7.224 1.00 12.33 N ATOM 1104 CA ASN A 69 -5.553 6.368 -6.210 1.00 21.14 C ATOM 1105 C ASN A 69 -6.895 5.880 -5.684 1.00 64.21 C ATOM 1106 O ASN A 69 -7.144 5.889 -4.480 1.00 22.03 O ATOM 1107 CB ASN A 69 -5.697 7.777 -6.787 1.00 3.22 C ATOM 1108 CG ASN A 69 -5.818 8.845 -5.714 1.00 71.14 C ATOM 1109 OD1 ASN A 69 -4.811 9.354 -5.220 1.00 5.43 O ATOM 1110 ND2 ASN A 69 -7.040 9.213 -5.364 1.00 71.11 N ATOM 0 H ASN A 69 -5.029 5.823 -8.171 1.00 12.33 H new ATOM 0 HA ASN A 69 -4.838 6.404 -5.388 1.00 21.14 H new ATOM 0 HB2 ASN A 69 -4.834 7.997 -7.416 1.00 3.22 H new ATOM 0 HB3 ASN A 69 -6.577 7.813 -7.429 1.00 3.22 H new ATOM 0 HD21 ASN A 69 -7.172 9.942 -4.663 1.00 71.11 H new ATOM 0 HD22 ASN A 69 -7.850 8.768 -5.796 1.00 71.11 H new ATOM 1117 N ALA A 70 -7.744 5.438 -6.602 1.00 33.43 N ATOM 1118 CA ALA A 70 -9.053 4.905 -6.253 1.00 63.13 C ATOM 1119 C ALA A 70 -8.930 3.692 -5.338 1.00 4.32 C ATOM 1120 O ALA A 70 -9.578 3.622 -4.291 1.00 13.12 O ATOM 1121 CB ALA A 70 -9.812 4.542 -7.516 1.00 43.01 C ATOM 0 H ALA A 70 -7.546 5.439 -7.603 1.00 33.43 H new ATOM 0 HA ALA A 70 -9.604 5.673 -5.711 1.00 63.13 H new ATOM 0 HB1 ALA A 70 -10.791 4.143 -7.250 1.00 43.01 H new ATOM 0 HB2 ALA A 70 -9.938 5.432 -8.133 1.00 43.01 H new ATOM 0 HB3 ALA A 70 -9.253 3.790 -8.073 1.00 43.01 H new ATOM 1127 N LYS A 71 -8.089 2.738 -5.738 1.00 31.43 N ATOM 1128 CA LYS A 71 -7.834 1.554 -4.924 1.00 62.35 C ATOM 1129 C LYS A 71 -7.276 1.957 -3.579 1.00 51.23 C ATOM 1130 O LYS A 71 -7.640 1.397 -2.549 1.00 33.21 O ATOM 1131 CB LYS A 71 -6.836 0.621 -5.603 1.00 22.42 C ATOM 1132 CG LYS A 71 -7.295 0.112 -6.936 1.00 44.32 C ATOM 1133 CD LYS A 71 -6.326 -0.903 -7.523 1.00 10.10 C ATOM 1134 CE LYS A 71 -4.902 -0.370 -7.580 1.00 32.14 C ATOM 1135 NZ LYS A 71 -3.954 -1.381 -8.117 1.00 44.31 N ATOM 0 H LYS A 71 -7.575 2.764 -6.619 1.00 31.43 H new ATOM 0 HA LYS A 71 -8.783 1.032 -4.798 1.00 62.35 H new ATOM 0 HB2 LYS A 71 -5.890 1.147 -5.731 1.00 22.42 H new ATOM 0 HB3 LYS A 71 -6.642 -0.228 -4.947 1.00 22.42 H new ATOM 0 HG2 LYS A 71 -8.279 -0.345 -6.830 1.00 44.32 H new ATOM 0 HG3 LYS A 71 -7.405 0.949 -7.625 1.00 44.32 H new ATOM 0 HD2 LYS A 71 -6.348 -1.813 -6.923 1.00 10.10 H new ATOM 0 HD3 LYS A 71 -6.651 -1.175 -8.527 1.00 10.10 H new ATOM 0 HE2 LYS A 71 -4.873 0.523 -8.205 1.00 32.14 H new ATOM 0 HE3 LYS A 71 -4.586 -0.070 -6.581 1.00 32.14 H new ATOM 0 HZ1 LYS A 71 -2.995 -0.980 -8.140 1.00 44.31 H new ATOM 0 HZ2 LYS A 71 -3.962 -2.223 -7.507 1.00 44.31 H new ATOM 0 HZ3 LYS A 71 -4.241 -1.648 -9.080 1.00 44.31 H new ATOM 1149 N TYR A 72 -6.392 2.939 -3.604 1.00 31.01 N ATOM 1150 CA TYR A 72 -5.729 3.402 -2.403 1.00 63.20 C ATOM 1151 C TYR A 72 -6.750 3.818 -1.351 1.00 74.45 C ATOM 1152 O TYR A 72 -6.677 3.394 -0.197 1.00 35.53 O ATOM 1153 CB TYR A 72 -4.791 4.571 -2.736 1.00 61.42 C ATOM 1154 CG TYR A 72 -4.322 5.358 -1.532 1.00 4.23 C ATOM 1155 CD1 TYR A 72 -3.250 4.925 -0.762 1.00 43.22 C ATOM 1156 CD2 TYR A 72 -4.959 6.539 -1.167 1.00 1.41 C ATOM 1157 CE1 TYR A 72 -2.827 5.647 0.337 1.00 40.22 C ATOM 1158 CE2 TYR A 72 -4.540 7.265 -0.069 1.00 4.01 C ATOM 1159 CZ TYR A 72 -3.475 6.813 0.679 1.00 42.31 C ATOM 1160 OH TYR A 72 -3.054 7.534 1.774 1.00 72.13 O ATOM 0 H TYR A 72 -6.117 3.433 -4.453 1.00 31.01 H new ATOM 0 HA TYR A 72 -5.137 2.583 -1.995 1.00 63.20 H new ATOM 0 HB2 TYR A 72 -3.919 4.183 -3.263 1.00 61.42 H new ATOM 0 HB3 TYR A 72 -5.302 5.248 -3.421 1.00 61.42 H new ATOM 0 HD1 TYR A 72 -2.740 4.011 -1.026 1.00 43.22 H new ATOM 0 HD2 TYR A 72 -5.795 6.894 -1.751 1.00 1.41 H new ATOM 0 HE1 TYR A 72 -1.991 5.298 0.926 1.00 40.22 H new ATOM 0 HE2 TYR A 72 -5.044 8.181 0.201 1.00 4.01 H new ATOM 0 HH TYR A 72 -3.616 8.330 1.877 1.00 72.13 H new ATOM 1170 N ILE A 73 -7.707 4.635 -1.771 1.00 22.32 N ATOM 1171 CA ILE A 73 -8.745 5.139 -0.886 1.00 62.22 C ATOM 1172 C ILE A 73 -9.530 4.002 -0.246 1.00 44.33 C ATOM 1173 O ILE A 73 -9.646 3.932 0.979 1.00 72.00 O ATOM 1174 CB ILE A 73 -9.715 6.056 -1.648 1.00 24.21 C ATOM 1175 CG1 ILE A 73 -8.950 7.238 -2.236 1.00 73.10 C ATOM 1176 CG2 ILE A 73 -10.831 6.538 -0.726 1.00 4.11 C ATOM 1177 CD1 ILE A 73 -9.645 7.881 -3.411 1.00 4.14 C ATOM 0 H ILE A 73 -7.784 4.966 -2.733 1.00 22.32 H new ATOM 0 HA ILE A 73 -8.248 5.709 -0.101 1.00 62.22 H new ATOM 0 HB ILE A 73 -10.172 5.493 -2.462 1.00 24.21 H new ATOM 0 HG12 ILE A 73 -8.801 7.987 -1.458 1.00 73.10 H new ATOM 0 HG13 ILE A 73 -7.961 6.901 -2.549 1.00 73.10 H new ATOM 0 HG21 ILE A 73 -11.508 7.186 -1.282 1.00 4.11 H new ATOM 0 HG22 ILE A 73 -11.383 5.680 -0.343 1.00 4.11 H new ATOM 0 HG23 ILE A 73 -10.400 7.093 0.107 1.00 4.11 H new ATOM 0 HD11 ILE A 73 -9.045 8.714 -3.778 1.00 4.14 H new ATOM 0 HD12 ILE A 73 -9.771 7.146 -4.206 1.00 4.14 H new ATOM 0 HD13 ILE A 73 -10.623 8.248 -3.099 1.00 4.14 H new ATOM 1189 N MET A 74 -10.057 3.105 -1.073 1.00 11.04 N ATOM 1190 CA MET A 74 -10.863 2.005 -0.565 1.00 34.43 C ATOM 1191 C MET A 74 -10.027 1.089 0.329 1.00 1.05 C ATOM 1192 O MET A 74 -10.504 0.624 1.363 1.00 42.30 O ATOM 1193 CB MET A 74 -11.501 1.197 -1.702 1.00 45.03 C ATOM 1194 CG MET A 74 -10.501 0.473 -2.572 1.00 40.04 C ATOM 1195 SD MET A 74 -11.240 -0.873 -3.503 1.00 53.24 S ATOM 1196 CE MET A 74 -9.872 -2.019 -3.462 1.00 50.45 C ATOM 0 H MET A 74 -9.942 3.118 -2.086 1.00 11.04 H new ATOM 0 HA MET A 74 -11.667 2.440 0.029 1.00 34.43 H new ATOM 0 HB2 MET A 74 -12.191 0.469 -1.275 1.00 45.03 H new ATOM 0 HB3 MET A 74 -12.092 1.869 -2.325 1.00 45.03 H new ATOM 0 HG2 MET A 74 -10.047 1.182 -3.264 1.00 40.04 H new ATOM 0 HG3 MET A 74 -9.699 0.080 -1.947 1.00 40.04 H new ATOM 0 HE1 MET A 74 -10.144 -2.929 -3.996 1.00 50.45 H new ATOM 0 HE2 MET A 74 -9.003 -1.565 -3.937 1.00 50.45 H new ATOM 0 HE3 MET A 74 -9.633 -2.264 -2.427 1.00 50.45 H new ATOM 1206 N LYS A 75 -8.773 0.847 -0.054 1.00 72.53 N ATOM 1207 CA LYS A 75 -7.894 0.000 0.735 1.00 60.13 C ATOM 1208 C LYS A 75 -7.697 0.576 2.134 1.00 1.20 C ATOM 1209 O LYS A 75 -7.781 -0.146 3.123 1.00 13.31 O ATOM 1210 CB LYS A 75 -6.546 -0.179 0.034 1.00 42.13 C ATOM 1211 CG LYS A 75 -6.615 -1.089 -1.186 1.00 33.34 C ATOM 1212 CD LYS A 75 -5.345 -1.006 -2.010 1.00 55.14 C ATOM 1213 CE LYS A 75 -5.421 -1.883 -3.253 1.00 10.44 C ATOM 1214 NZ LYS A 75 -5.363 -3.335 -2.939 1.00 63.43 N ATOM 0 H LYS A 75 -8.350 1.225 -0.901 1.00 72.53 H new ATOM 0 HA LYS A 75 -8.364 -0.978 0.833 1.00 60.13 H new ATOM 0 HB2 LYS A 75 -6.171 0.798 -0.271 1.00 42.13 H new ATOM 0 HB3 LYS A 75 -5.827 -0.589 0.744 1.00 42.13 H new ATOM 0 HG2 LYS A 75 -6.776 -2.118 -0.865 1.00 33.34 H new ATOM 0 HG3 LYS A 75 -7.469 -0.810 -1.802 1.00 33.34 H new ATOM 0 HD2 LYS A 75 -5.170 0.029 -2.305 1.00 55.14 H new ATOM 0 HD3 LYS A 75 -4.495 -1.312 -1.400 1.00 55.14 H new ATOM 0 HE2 LYS A 75 -6.346 -1.668 -3.787 1.00 10.44 H new ATOM 0 HE3 LYS A 75 -4.600 -1.628 -3.923 1.00 10.44 H new ATOM 0 HZ1 LYS A 75 -5.780 -3.877 -3.723 1.00 63.43 H new ATOM 0 HZ2 LYS A 75 -4.372 -3.622 -2.808 1.00 63.43 H new ATOM 0 HZ3 LYS A 75 -5.897 -3.523 -2.066 1.00 63.43 H new ATOM 1228 N GLN A 76 -7.472 1.884 2.211 1.00 14.41 N ATOM 1229 CA GLN A 76 -7.283 2.558 3.495 1.00 35.35 C ATOM 1230 C GLN A 76 -8.549 2.498 4.345 1.00 73.12 C ATOM 1231 O GLN A 76 -8.488 2.644 5.567 1.00 51.32 O ATOM 1232 CB GLN A 76 -6.870 4.014 3.283 1.00 23.45 C ATOM 1233 CG GLN A 76 -5.516 4.176 2.613 1.00 21.40 C ATOM 1234 CD GLN A 76 -4.379 3.585 3.424 1.00 10.04 C ATOM 1235 OE1 GLN A 76 -3.776 4.262 4.255 1.00 21.22 O ATOM 1236 NE2 GLN A 76 -4.072 2.320 3.186 1.00 32.10 N ATOM 0 H GLN A 76 -7.416 2.500 1.400 1.00 14.41 H new ATOM 0 HA GLN A 76 -6.488 2.035 4.026 1.00 35.35 H new ATOM 0 HB2 GLN A 76 -7.627 4.512 2.677 1.00 23.45 H new ATOM 0 HB3 GLN A 76 -6.850 4.521 4.248 1.00 23.45 H new ATOM 0 HG2 GLN A 76 -5.542 3.699 1.633 1.00 21.40 H new ATOM 0 HG3 GLN A 76 -5.324 5.236 2.447 1.00 21.40 H new ATOM 0 HE21 GLN A 76 -4.595 1.791 2.489 1.00 32.10 H new ATOM 0 HE22 GLN A 76 -3.312 1.874 3.700 1.00 32.10 H new ATOM 1245 N ARG A 77 -9.693 2.288 3.699 1.00 41.24 N ATOM 1246 CA ARG A 77 -10.955 2.167 4.416 1.00 74.30 C ATOM 1247 C ARG A 77 -10.949 0.933 5.301 1.00 21.53 C ATOM 1248 O ARG A 77 -11.011 1.047 6.526 1.00 50.20 O ATOM 1249 CB ARG A 77 -12.140 2.103 3.454 1.00 13.25 C ATOM 1250 CG ARG A 77 -12.329 3.359 2.627 1.00 43.43 C ATOM 1251 CD ARG A 77 -12.534 4.583 3.506 1.00 52.10 C ATOM 1252 NE ARG A 77 -12.835 5.775 2.720 1.00 75.20 N ATOM 1253 CZ ARG A 77 -12.120 6.896 2.761 1.00 62.22 C ATOM 1254 NH1 ARG A 77 -11.058 6.983 3.558 1.00 65.42 N ATOM 1255 NH2 ARG A 77 -12.481 7.937 2.019 1.00 34.45 N ATOM 0 H ARG A 77 -9.770 2.199 2.686 1.00 41.24 H new ATOM 0 HA ARG A 77 -11.064 3.056 5.037 1.00 74.30 H new ATOM 0 HB2 ARG A 77 -12.005 1.255 2.783 1.00 13.25 H new ATOM 0 HB3 ARG A 77 -13.049 1.916 4.025 1.00 13.25 H new ATOM 0 HG2 ARG A 77 -11.458 3.510 1.990 1.00 43.43 H new ATOM 0 HG3 ARG A 77 -13.189 3.236 1.968 1.00 43.43 H new ATOM 0 HD2 ARG A 77 -13.348 4.395 4.206 1.00 52.10 H new ATOM 0 HD3 ARG A 77 -11.637 4.757 4.100 1.00 52.10 H new ATOM 0 HE ARG A 77 -13.645 5.747 2.100 1.00 75.20 H new ATOM 0 HH11 ARG A 77 -10.790 6.189 4.139 1.00 65.42 H new ATOM 0 HH12 ARG A 77 -10.512 7.844 3.587 1.00 65.42 H new ATOM 0 HH21 ARG A 77 -13.304 7.875 1.420 1.00 34.45 H new ATOM 0 HH22 ARG A 77 -11.935 8.798 2.048 1.00 34.45 H new ATOM 1269 N LEU A 78 -10.862 -0.247 4.690 1.00 63.14 N ATOM 1270 CA LEU A 78 -10.825 -1.483 5.471 1.00 31.22 C ATOM 1271 C LEU A 78 -9.576 -1.521 6.336 1.00 41.04 C ATOM 1272 O LEU A 78 -9.598 -2.059 7.439 1.00 42.21 O ATOM 1273 CB LEU A 78 -10.847 -2.734 4.595 1.00 44.41 C ATOM 1274 CG LEU A 78 -11.616 -2.625 3.283 1.00 24.52 C ATOM 1275 CD1 LEU A 78 -10.667 -2.342 2.130 1.00 72.02 C ATOM 1276 CD2 LEU A 78 -12.396 -3.898 3.029 1.00 55.24 C ATOM 0 H LEU A 78 -10.817 -0.374 3.679 1.00 63.14 H new ATOM 0 HA LEU A 78 -11.723 -1.484 6.089 1.00 31.22 H new ATOM 0 HB2 LEU A 78 -9.818 -3.010 4.367 1.00 44.41 H new ATOM 0 HB3 LEU A 78 -11.275 -3.551 5.176 1.00 44.41 H new ATOM 0 HG LEU A 78 -12.318 -1.795 3.358 1.00 24.52 H new ATOM 0 HD11 LEU A 78 -11.234 -2.268 1.202 1.00 72.02 H new ATOM 0 HD12 LEU A 78 -10.143 -1.403 2.312 1.00 72.02 H new ATOM 0 HD13 LEU A 78 -9.942 -3.152 2.048 1.00 72.02 H new ATOM 0 HD21 LEU A 78 -12.941 -3.809 2.089 1.00 55.24 H new ATOM 0 HD22 LEU A 78 -11.708 -4.741 2.971 1.00 55.24 H new ATOM 0 HD23 LEU A 78 -13.101 -4.061 3.844 1.00 55.24 H new ATOM 1288 N LEU A 79 -8.494 -0.946 5.816 1.00 72.04 N ATOM 1289 CA LEU A 79 -7.229 -0.862 6.537 1.00 21.14 C ATOM 1290 C LEU A 79 -7.455 -0.293 7.935 1.00 22.52 C ATOM 1291 O LEU A 79 -7.090 -0.910 8.930 1.00 3.14 O ATOM 1292 CB LEU A 79 -6.235 -0.003 5.730 1.00 10.42 C ATOM 1293 CG LEU A 79 -4.802 0.114 6.273 1.00 14.30 C ATOM 1294 CD1 LEU A 79 -4.709 1.187 7.344 1.00 21.24 C ATOM 1295 CD2 LEU A 79 -4.318 -1.223 6.811 1.00 31.31 C ATOM 0 H LEU A 79 -8.471 -0.527 4.886 1.00 72.04 H new ATOM 0 HA LEU A 79 -6.805 -1.859 6.653 1.00 21.14 H new ATOM 0 HB2 LEU A 79 -6.181 -0.409 4.720 1.00 10.42 H new ATOM 0 HB3 LEU A 79 -6.648 1.003 5.648 1.00 10.42 H new ATOM 0 HG LEU A 79 -4.154 0.406 5.446 1.00 14.30 H new ATOM 0 HD11 LEU A 79 -3.684 1.248 7.710 1.00 21.24 H new ATOM 0 HD12 LEU A 79 -5.001 2.149 6.922 1.00 21.24 H new ATOM 0 HD13 LEU A 79 -5.375 0.936 8.170 1.00 21.24 H new ATOM 0 HD21 LEU A 79 -3.302 -1.116 7.190 1.00 31.31 H new ATOM 0 HD22 LEU A 79 -4.974 -1.549 7.618 1.00 31.31 H new ATOM 0 HD23 LEU A 79 -4.331 -1.963 6.011 1.00 31.31 H new ATOM 1307 N LYS A 80 -8.101 0.861 8.005 1.00 41.33 N ATOM 1308 CA LYS A 80 -8.371 1.500 9.288 1.00 43.02 C ATOM 1309 C LYS A 80 -9.346 0.678 10.119 1.00 3.24 C ATOM 1310 O LYS A 80 -9.305 0.715 11.345 1.00 20.42 O ATOM 1311 CB LYS A 80 -8.918 2.916 9.097 1.00 44.42 C ATOM 1312 CG LYS A 80 -7.880 4.005 9.317 1.00 20.00 C ATOM 1313 CD LYS A 80 -7.293 3.953 10.725 1.00 44.44 C ATOM 1314 CE LYS A 80 -8.366 4.090 11.798 1.00 61.13 C ATOM 1315 NZ LYS A 80 -7.788 4.077 13.170 1.00 32.41 N ATOM 0 H LYS A 80 -8.447 1.374 7.194 1.00 41.33 H new ATOM 0 HA LYS A 80 -7.423 1.561 9.823 1.00 43.02 H new ATOM 0 HB2 LYS A 80 -9.320 3.008 8.088 1.00 44.42 H new ATOM 0 HB3 LYS A 80 -9.748 3.072 9.787 1.00 44.42 H new ATOM 0 HG2 LYS A 80 -7.079 3.897 8.585 1.00 20.00 H new ATOM 0 HG3 LYS A 80 -8.336 4.981 9.149 1.00 20.00 H new ATOM 0 HD2 LYS A 80 -6.762 3.011 10.862 1.00 44.44 H new ATOM 0 HD3 LYS A 80 -6.560 4.751 10.842 1.00 44.44 H new ATOM 0 HE2 LYS A 80 -8.915 5.019 11.645 1.00 61.13 H new ATOM 0 HE3 LYS A 80 -9.084 3.275 11.699 1.00 61.13 H new ATOM 0 HZ1 LYS A 80 -8.537 3.866 13.860 1.00 32.41 H new ATOM 0 HZ2 LYS A 80 -7.048 3.348 13.228 1.00 32.41 H new ATOM 0 HZ3 LYS A 80 -7.374 5.008 13.381 1.00 32.41 H new ATOM 1329 N LEU A 81 -10.205 -0.078 9.455 1.00 64.42 N ATOM 1330 CA LEU A 81 -11.201 -0.877 10.152 1.00 32.11 C ATOM 1331 C LEU A 81 -10.558 -2.070 10.849 1.00 63.31 C ATOM 1332 O LEU A 81 -10.903 -2.386 11.982 1.00 60.11 O ATOM 1333 CB LEU A 81 -12.293 -1.334 9.186 1.00 11.24 C ATOM 1334 CG LEU A 81 -13.115 -0.202 8.566 1.00 71.14 C ATOM 1335 CD1 LEU A 81 -14.155 -0.758 7.612 1.00 63.53 C ATOM 1336 CD2 LEU A 81 -13.780 0.632 9.650 1.00 22.54 C ATOM 0 H LEU A 81 -10.233 -0.156 8.438 1.00 64.42 H new ATOM 0 HA LEU A 81 -11.660 -0.253 10.918 1.00 32.11 H new ATOM 0 HB2 LEU A 81 -11.831 -1.910 8.384 1.00 11.24 H new ATOM 0 HB3 LEU A 81 -12.968 -2.007 9.715 1.00 11.24 H new ATOM 0 HG LEU A 81 -12.440 0.441 8.002 1.00 71.14 H new ATOM 0 HD11 LEU A 81 -14.729 0.062 7.181 1.00 63.53 H new ATOM 0 HD12 LEU A 81 -13.659 -1.311 6.815 1.00 63.53 H new ATOM 0 HD13 LEU A 81 -14.826 -1.425 8.153 1.00 63.53 H new ATOM 0 HD21 LEU A 81 -14.360 1.432 9.189 1.00 22.54 H new ATOM 0 HD22 LEU A 81 -14.441 -0.001 10.242 1.00 22.54 H new ATOM 0 HD23 LEU A 81 -13.016 1.064 10.297 1.00 22.54 H new ATOM 1348 N LEU A 82 -9.606 -2.715 10.183 1.00 21.41 N ATOM 1349 CA LEU A 82 -8.903 -3.851 10.775 1.00 31.41 C ATOM 1350 C LEU A 82 -7.826 -3.380 11.751 1.00 34.42 C ATOM 1351 O LEU A 82 -7.357 -4.144 12.599 1.00 61.11 O ATOM 1352 CB LEU A 82 -8.309 -4.751 9.682 1.00 33.24 C ATOM 1353 CG LEU A 82 -7.454 -4.052 8.623 1.00 13.30 C ATOM 1354 CD1 LEU A 82 -5.971 -4.183 8.926 1.00 13.42 C ATOM 1355 CD2 LEU A 82 -7.762 -4.614 7.252 1.00 2.24 C ATOM 0 H LEU A 82 -9.304 -2.474 9.239 1.00 21.41 H new ATOM 0 HA LEU A 82 -9.624 -4.441 11.340 1.00 31.41 H new ATOM 0 HB2 LEU A 82 -7.701 -5.518 10.162 1.00 33.24 H new ATOM 0 HB3 LEU A 82 -9.128 -5.264 9.178 1.00 33.24 H new ATOM 0 HG LEU A 82 -7.702 -2.991 8.640 1.00 13.30 H new ATOM 0 HD11 LEU A 82 -5.395 -3.675 8.153 1.00 13.42 H new ATOM 0 HD12 LEU A 82 -5.756 -3.731 9.894 1.00 13.42 H new ATOM 0 HD13 LEU A 82 -5.696 -5.238 8.949 1.00 13.42 H new ATOM 0 HD21 LEU A 82 -7.148 -4.110 6.506 1.00 2.24 H new ATOM 0 HD22 LEU A 82 -7.544 -5.682 7.239 1.00 2.24 H new ATOM 0 HD23 LEU A 82 -8.816 -4.456 7.022 1.00 2.24 H new ATOM 1367 N GLU A 83 -7.440 -2.118 11.628 1.00 52.23 N ATOM 1368 CA GLU A 83 -6.511 -1.500 12.566 1.00 70.03 C ATOM 1369 C GLU A 83 -7.237 -1.082 13.843 1.00 73.42 C ATOM 1370 O GLU A 83 -6.820 -1.416 14.949 1.00 20.41 O ATOM 1371 CB GLU A 83 -5.854 -0.272 11.930 1.00 72.33 C ATOM 1372 CG GLU A 83 -4.829 -0.599 10.861 1.00 43.11 C ATOM 1373 CD GLU A 83 -3.496 -1.000 11.442 1.00 22.14 C ATOM 1374 OE1 GLU A 83 -3.341 -2.167 11.849 1.00 44.04 O ATOM 1375 OE2 GLU A 83 -2.590 -0.142 11.492 1.00 70.15 O ATOM 0 H GLU A 83 -7.758 -1.498 10.883 1.00 52.23 H new ATOM 0 HA GLU A 83 -5.743 -2.232 12.816 1.00 70.03 H new ATOM 0 HB2 GLU A 83 -6.630 0.356 11.493 1.00 72.33 H new ATOM 0 HB3 GLU A 83 -5.372 0.314 12.712 1.00 72.33 H new ATOM 0 HG2 GLU A 83 -5.207 -1.407 10.235 1.00 43.11 H new ATOM 0 HG3 GLU A 83 -4.694 0.268 10.214 1.00 43.11 H new ATOM 1382 N ASP A 84 -8.344 -0.372 13.667 1.00 73.31 N ATOM 1383 CA ASP A 84 -9.082 0.211 14.784 1.00 42.33 C ATOM 1384 C ASP A 84 -10.049 -0.807 15.371 1.00 53.12 C ATOM 1385 O ASP A 84 -10.598 -0.605 16.453 1.00 31.20 O ATOM 1386 CB ASP A 84 -9.853 1.444 14.307 1.00 52.23 C ATOM 1387 CG ASP A 84 -10.014 2.494 15.384 1.00 1.42 C ATOM 1388 OD1 ASP A 84 -10.967 2.400 16.185 1.00 13.13 O ATOM 1389 OD2 ASP A 84 -9.188 3.431 15.422 1.00 44.22 O ATOM 0 H ASP A 84 -8.755 -0.184 12.753 1.00 73.31 H new ATOM 0 HA ASP A 84 -8.372 0.505 15.557 1.00 42.33 H new ATOM 0 HB2 ASP A 84 -9.334 1.883 13.454 1.00 52.23 H new ATOM 0 HB3 ASP A 84 -10.838 1.137 13.957 1.00 52.23 H new ATOM 1394 N LYS A 85 -10.250 -1.895 14.631 1.00 63.41 N ATOM 1395 CA LYS A 85 -11.101 -3.003 15.061 1.00 3.22 C ATOM 1396 C LYS A 85 -12.567 -2.589 15.121 1.00 52.34 C ATOM 1397 O LYS A 85 -13.311 -3.002 16.015 1.00 11.43 O ATOM 1398 CB LYS A 85 -10.627 -3.556 16.406 1.00 34.32 C ATOM 1399 CG LYS A 85 -9.220 -4.131 16.353 1.00 10.54 C ATOM 1400 CD LYS A 85 -9.132 -5.296 15.380 1.00 12.13 C ATOM 1401 CE LYS A 85 -7.783 -5.998 15.455 1.00 70.44 C ATOM 1402 NZ LYS A 85 -6.654 -5.095 15.099 1.00 33.03 N ATOM 0 H LYS A 85 -9.826 -2.034 13.714 1.00 63.41 H new ATOM 0 HA LYS A 85 -11.018 -3.797 14.319 1.00 3.22 H new ATOM 0 HB2 LYS A 85 -10.660 -2.761 17.151 1.00 34.32 H new ATOM 0 HB3 LYS A 85 -11.318 -4.332 16.737 1.00 34.32 H new ATOM 0 HG2 LYS A 85 -8.518 -3.352 16.055 1.00 10.54 H new ATOM 0 HG3 LYS A 85 -8.923 -4.463 17.348 1.00 10.54 H new ATOM 0 HD2 LYS A 85 -9.926 -6.011 15.597 1.00 12.13 H new ATOM 0 HD3 LYS A 85 -9.297 -4.935 14.365 1.00 12.13 H new ATOM 0 HE2 LYS A 85 -7.632 -6.384 16.463 1.00 70.44 H new ATOM 0 HE3 LYS A 85 -7.785 -6.856 14.783 1.00 70.44 H new ATOM 0 HZ1 LYS A 85 -5.805 -5.662 14.900 1.00 33.03 H new ATOM 0 HZ2 LYS A 85 -6.906 -4.540 14.256 1.00 33.03 H new ATOM 0 HZ3 LYS A 85 -6.461 -4.451 15.892 1.00 33.03 H new ATOM 1416 N SER A 86 -12.981 -1.809 14.134 1.00 14.24 N ATOM 1417 CA SER A 86 -14.360 -1.380 14.016 1.00 23.44 C ATOM 1418 C SER A 86 -15.195 -2.491 13.374 1.00 41.34 C ATOM 1419 O SER A 86 -14.748 -3.148 12.431 1.00 1.33 O ATOM 1420 CB SER A 86 -14.427 -0.103 13.179 1.00 42.11 C ATOM 1421 OG SER A 86 -13.504 0.867 13.653 1.00 13.43 O ATOM 0 H SER A 86 -12.370 -1.458 13.396 1.00 14.24 H new ATOM 0 HA SER A 86 -14.765 -1.172 15.006 1.00 23.44 H new ATOM 0 HB2 SER A 86 -14.211 -0.336 12.136 1.00 42.11 H new ATOM 0 HB3 SER A 86 -15.437 0.305 13.212 1.00 42.11 H new ATOM 0 HG SER A 86 -13.565 1.674 13.100 1.00 13.43 H new ATOM 1427 N ASN A 87 -16.412 -2.681 13.868 1.00 42.53 N ATOM 1428 CA ASN A 87 -17.251 -3.811 13.458 1.00 75.02 C ATOM 1429 C ASN A 87 -17.712 -3.695 12.008 1.00 15.33 C ATOM 1430 O ASN A 87 -18.257 -4.644 11.451 1.00 33.23 O ATOM 1431 CB ASN A 87 -18.485 -3.930 14.356 1.00 11.42 C ATOM 1432 CG ASN A 87 -19.479 -2.798 14.163 1.00 33.31 C ATOM 1433 OD1 ASN A 87 -19.107 -1.650 13.922 1.00 50.30 O ATOM 1434 ND2 ASN A 87 -20.754 -3.127 14.247 1.00 42.44 N ATOM 0 H ASN A 87 -16.846 -2.066 14.557 1.00 42.53 H new ATOM 0 HA ASN A 87 -16.630 -4.702 13.555 1.00 75.02 H new ATOM 0 HB2 ASN A 87 -18.982 -4.879 14.155 1.00 11.42 H new ATOM 0 HB3 ASN A 87 -18.167 -3.951 15.398 1.00 11.42 H new ATOM 0 HD21 ASN A 87 -21.474 -2.417 14.110 1.00 42.44 H new ATOM 0 HD22 ASN A 87 -21.020 -4.091 14.449 1.00 42.44 H new ATOM 1441 N LEU A 88 -17.483 -2.542 11.400 1.00 10.20 N ATOM 1442 CA LEU A 88 -17.968 -2.273 10.046 1.00 33.51 C ATOM 1443 C LEU A 88 -17.483 -3.317 9.049 1.00 53.40 C ATOM 1444 O LEU A 88 -18.219 -3.715 8.149 1.00 4.50 O ATOM 1445 CB LEU A 88 -17.553 -0.876 9.575 1.00 12.32 C ATOM 1446 CG LEU A 88 -18.242 0.288 10.291 1.00 24.03 C ATOM 1447 CD1 LEU A 88 -19.727 0.006 10.453 1.00 64.45 C ATOM 1448 CD2 LEU A 88 -17.593 0.560 11.638 1.00 15.32 C ATOM 0 H LEU A 88 -16.963 -1.772 11.820 1.00 10.20 H new ATOM 0 HA LEU A 88 -19.056 -2.324 10.090 1.00 33.51 H new ATOM 0 HB2 LEU A 88 -16.475 -0.773 9.703 1.00 12.32 H new ATOM 0 HB3 LEU A 88 -17.756 -0.795 8.507 1.00 12.32 H new ATOM 0 HG LEU A 88 -18.126 1.182 9.679 1.00 24.03 H new ATOM 0 HD11 LEU A 88 -20.203 0.843 10.964 1.00 64.45 H new ATOM 0 HD12 LEU A 88 -20.182 -0.126 9.471 1.00 64.45 H new ATOM 0 HD13 LEU A 88 -19.863 -0.902 11.040 1.00 64.45 H new ATOM 0 HD21 LEU A 88 -18.102 1.392 12.126 1.00 15.32 H new ATOM 0 HD22 LEU A 88 -17.668 -0.329 12.264 1.00 15.32 H new ATOM 0 HD23 LEU A 88 -16.543 0.813 11.492 1.00 15.32 H new ATOM 1460 N LEU A 89 -16.249 -3.764 9.206 1.00 71.20 N ATOM 1461 CA LEU A 89 -15.724 -4.800 8.332 1.00 45.02 C ATOM 1462 C LEU A 89 -15.531 -6.103 9.093 1.00 33.33 C ATOM 1463 O LEU A 89 -15.346 -7.163 8.508 1.00 20.31 O ATOM 1464 CB LEU A 89 -14.394 -4.371 7.709 1.00 44.43 C ATOM 1465 CG LEU A 89 -13.694 -5.464 6.916 1.00 34.14 C ATOM 1466 CD1 LEU A 89 -14.411 -5.730 5.605 1.00 73.15 C ATOM 1467 CD2 LEU A 89 -12.236 -5.108 6.710 1.00 34.33 C ATOM 0 H LEU A 89 -15.600 -3.432 9.919 1.00 71.20 H new ATOM 0 HA LEU A 89 -16.452 -4.957 7.536 1.00 45.02 H new ATOM 0 HB2 LEU A 89 -14.571 -3.519 7.053 1.00 44.43 H new ATOM 0 HB3 LEU A 89 -13.728 -4.030 8.502 1.00 44.43 H new ATOM 0 HG LEU A 89 -13.730 -6.392 7.486 1.00 34.14 H new ATOM 0 HD11 LEU A 89 -13.890 -6.516 5.058 1.00 73.15 H new ATOM 0 HD12 LEU A 89 -15.434 -6.047 5.808 1.00 73.15 H new ATOM 0 HD13 LEU A 89 -14.425 -4.819 5.007 1.00 73.15 H new ATOM 0 HD21 LEU A 89 -11.745 -5.898 6.141 1.00 34.33 H new ATOM 0 HD22 LEU A 89 -12.165 -4.168 6.162 1.00 34.33 H new ATOM 0 HD23 LEU A 89 -11.747 -5.001 7.678 1.00 34.33 H new ATOM 1479 N LEU A 90 -15.596 -6.024 10.397 1.00 71.05 N ATOM 1480 CA LEU A 90 -15.200 -7.141 11.239 1.00 20.22 C ATOM 1481 C LEU A 90 -16.371 -7.762 11.996 1.00 30.41 C ATOM 1482 O LEU A 90 -16.158 -8.560 12.905 1.00 20.24 O ATOM 1483 CB LEU A 90 -14.142 -6.655 12.221 1.00 32.54 C ATOM 1484 CG LEU A 90 -12.983 -5.900 11.573 1.00 40.01 C ATOM 1485 CD1 LEU A 90 -12.212 -5.130 12.621 1.00 2.12 C ATOM 1486 CD2 LEU A 90 -12.063 -6.854 10.829 1.00 63.14 C ATOM 0 H LEU A 90 -15.918 -5.201 10.906 1.00 71.05 H new ATOM 0 HA LEU A 90 -14.803 -7.924 10.593 1.00 20.22 H new ATOM 0 HB2 LEU A 90 -14.617 -6.006 12.957 1.00 32.54 H new ATOM 0 HB3 LEU A 90 -13.744 -7.513 12.762 1.00 32.54 H new ATOM 0 HG LEU A 90 -13.393 -5.195 10.850 1.00 40.01 H new ATOM 0 HD11 LEU A 90 -11.388 -4.596 12.147 1.00 2.12 H new ATOM 0 HD12 LEU A 90 -12.875 -4.416 13.109 1.00 2.12 H new ATOM 0 HD13 LEU A 90 -11.816 -5.823 13.363 1.00 2.12 H new ATOM 0 HD21 LEU A 90 -11.246 -6.293 10.376 1.00 63.14 H new ATOM 0 HD22 LEU A 90 -11.657 -7.587 11.527 1.00 63.14 H new ATOM 0 HD23 LEU A 90 -12.625 -7.368 10.050 1.00 63.14 H new ATOM 1498 N TYR A 91 -17.600 -7.424 11.619 1.00 45.40 N ATOM 1499 CA TYR A 91 -18.764 -7.965 12.312 1.00 12.02 C ATOM 1500 C TYR A 91 -18.894 -9.461 12.063 1.00 2.32 C ATOM 1501 O TYR A 91 -18.375 -9.991 11.072 1.00 74.14 O ATOM 1502 CB TYR A 91 -20.055 -7.253 11.880 1.00 24.50 C ATOM 1503 CG TYR A 91 -20.484 -7.534 10.455 1.00 33.25 C ATOM 1504 CD1 TYR A 91 -21.185 -8.696 10.131 1.00 45.33 C ATOM 1505 CD2 TYR A 91 -20.199 -6.637 9.435 1.00 32.31 C ATOM 1506 CE1 TYR A 91 -21.582 -8.950 8.837 1.00 0.14 C ATOM 1507 CE2 TYR A 91 -20.597 -6.884 8.136 1.00 52.31 C ATOM 1508 CZ TYR A 91 -21.290 -8.043 7.842 1.00 45.35 C ATOM 1509 OH TYR A 91 -21.692 -8.303 6.552 1.00 52.13 O ATOM 0 H TYR A 91 -17.814 -6.789 10.850 1.00 45.40 H new ATOM 0 HA TYR A 91 -18.616 -7.793 13.378 1.00 12.02 H new ATOM 0 HB2 TYR A 91 -20.860 -7.549 12.553 1.00 24.50 H new ATOM 0 HB3 TYR A 91 -19.919 -6.178 11.999 1.00 24.50 H new ATOM 0 HD1 TYR A 91 -21.420 -9.408 10.908 1.00 45.33 H new ATOM 0 HD2 TYR A 91 -19.657 -5.731 9.661 1.00 32.31 H new ATOM 0 HE1 TYR A 91 -22.120 -9.857 8.603 1.00 0.14 H new ATOM 0 HE2 TYR A 91 -20.368 -6.175 7.354 1.00 52.31 H new ATOM 0 HH TYR A 91 -22.158 -7.520 6.191 1.00 52.13 H new ATOM 1519 N SER A 92 -19.605 -10.131 12.951 1.00 54.11 N ATOM 1520 CA SER A 92 -19.834 -11.553 12.824 1.00 13.32 C ATOM 1521 C SER A 92 -21.121 -11.799 12.041 1.00 22.23 C ATOM 1522 O SER A 92 -22.078 -11.032 12.132 1.00 64.45 O ATOM 1523 CB SER A 92 -19.907 -12.206 14.208 1.00 21.31 C ATOM 1524 OG SER A 92 -19.850 -13.619 14.114 1.00 1.11 O ATOM 0 H SER A 92 -20.035 -9.707 13.773 1.00 54.11 H new ATOM 0 HA SER A 92 -19.003 -12.003 12.281 1.00 13.32 H new ATOM 0 HB2 SER A 92 -19.084 -11.847 14.826 1.00 21.31 H new ATOM 0 HB3 SER A 92 -20.831 -11.909 14.704 1.00 21.31 H new ATOM 0 HG SER A 92 -19.897 -14.009 15.012 1.00 1.11 H new ATOM 1530 N CYS A 93 -21.125 -12.866 11.271 1.00 1.20 N ATOM 1531 CA CYS A 93 -22.246 -13.204 10.404 1.00 52.34 C ATOM 1532 C CYS A 93 -22.437 -14.710 10.393 1.00 32.31 C ATOM 1533 O CYS A 93 -21.647 -15.434 10.990 1.00 70.33 O ATOM 1534 CB CYS A 93 -21.938 -12.766 8.990 1.00 52.13 C ATOM 1535 SG CYS A 93 -20.644 -13.797 8.240 1.00 40.33 S ATOM 0 H CYS A 93 -20.351 -13.529 11.225 1.00 1.20 H new ATOM 0 HA CYS A 93 -23.143 -12.706 10.772 1.00 52.34 H new ATOM 0 HB2 CYS A 93 -22.844 -12.820 8.386 1.00 52.13 H new ATOM 0 HB3 CYS A 93 -21.618 -11.724 8.992 1.00 52.13 H new ATOM 1540 N ASN A 94 -23.441 -15.182 9.668 1.00 11.04 N ATOM 1541 CA ASN A 94 -23.686 -16.611 9.553 1.00 62.04 C ATOM 1542 C ASN A 94 -23.383 -17.108 8.141 1.00 71.42 C ATOM 1543 O ASN A 94 -24.296 -17.377 7.367 1.00 35.35 O ATOM 1544 CB ASN A 94 -25.140 -16.939 9.917 1.00 51.45 C ATOM 1545 CG ASN A 94 -25.417 -18.433 9.980 1.00 22.01 C ATOM 1546 OD1 ASN A 94 -25.773 -19.059 8.984 1.00 0.23 O ATOM 1547 ND2 ASN A 94 -25.270 -19.012 11.160 1.00 3.31 N ATOM 0 H ASN A 94 -24.098 -14.597 9.152 1.00 11.04 H new ATOM 0 HA ASN A 94 -23.020 -17.119 10.250 1.00 62.04 H new ATOM 0 HB2 ASN A 94 -25.377 -16.491 10.882 1.00 51.45 H new ATOM 0 HB3 ASN A 94 -25.804 -16.483 9.182 1.00 51.45 H new ATOM 0 HD21 ASN A 94 -25.454 -20.010 11.265 1.00 3.31 H new ATOM 0 HD22 ASN A 94 -24.973 -18.461 11.965 1.00 3.31 H new ATOM 1554 N CYS A 95 -22.104 -17.174 7.774 1.00 2.41 N ATOM 1555 CA CYS A 95 -21.726 -17.853 6.539 1.00 71.43 C ATOM 1556 C CYS A 95 -21.420 -19.321 6.818 1.00 64.14 C ATOM 1557 O CYS A 95 -21.305 -20.134 5.899 1.00 51.04 O ATOM 1558 CB CYS A 95 -20.528 -17.186 5.874 1.00 2.21 C ATOM 1559 SG CYS A 95 -20.951 -15.688 4.936 1.00 34.44 S ATOM 0 H CYS A 95 -21.328 -16.775 8.302 1.00 2.41 H new ATOM 0 HA CYS A 95 -22.569 -17.784 5.852 1.00 71.43 H new ATOM 0 HB2 CYS A 95 -19.795 -16.930 6.639 1.00 2.21 H new ATOM 0 HB3 CYS A 95 -20.052 -17.901 5.203 1.00 2.21 H new ATOM 1564 N LYS A 96 -21.287 -19.646 8.100 1.00 24.22 N ATOM 1565 CA LYS A 96 -21.043 -21.016 8.538 1.00 23.54 C ATOM 1566 C LYS A 96 -21.657 -21.234 9.920 1.00 71.43 C ATOM 1567 O LYS A 96 -22.310 -22.244 10.171 1.00 11.42 O ATOM 1568 CB LYS A 96 -19.536 -21.337 8.549 1.00 62.23 C ATOM 1569 CG LYS A 96 -18.685 -20.346 9.331 1.00 21.24 C ATOM 1570 CD LYS A 96 -17.201 -20.691 9.263 1.00 51.31 C ATOM 1571 CE LYS A 96 -16.878 -21.989 9.988 1.00 12.25 C ATOM 1572 NZ LYS A 96 -15.413 -22.224 10.075 1.00 44.54 N ATOM 0 H LYS A 96 -21.345 -18.970 8.862 1.00 24.22 H new ATOM 0 HA LYS A 96 -21.516 -21.697 7.830 1.00 23.54 H new ATOM 0 HB2 LYS A 96 -19.392 -22.332 8.971 1.00 62.23 H new ATOM 0 HB3 LYS A 96 -19.177 -21.372 7.520 1.00 62.23 H new ATOM 0 HG2 LYS A 96 -18.843 -19.342 8.937 1.00 21.24 H new ATOM 0 HG3 LYS A 96 -19.007 -20.334 10.372 1.00 21.24 H new ATOM 0 HD2 LYS A 96 -16.897 -20.774 8.220 1.00 51.31 H new ATOM 0 HD3 LYS A 96 -16.621 -19.879 9.700 1.00 51.31 H new ATOM 0 HE2 LYS A 96 -17.301 -21.959 10.992 1.00 12.25 H new ATOM 0 HE3 LYS A 96 -17.349 -22.823 9.468 1.00 12.25 H new ATOM 0 HZ1 LYS A 96 -15.234 -23.118 10.576 1.00 44.54 H new ATOM 0 HZ2 LYS A 96 -15.012 -22.278 9.117 1.00 44.54 H new ATOM 0 HZ3 LYS A 96 -14.966 -21.441 10.594 1.00 44.54 H new ATOM 1586 N PHE A 97 -21.449 -20.268 10.804 1.00 5.40 N ATOM 1587 CA PHE A 97 -22.049 -20.273 12.131 1.00 34.14 C ATOM 1588 C PHE A 97 -22.116 -18.841 12.634 1.00 50.32 C ATOM 1589 O PHE A 97 -21.523 -17.954 12.021 1.00 24.42 O ATOM 1590 CB PHE A 97 -21.225 -21.128 13.110 1.00 22.33 C ATOM 1591 CG PHE A 97 -19.844 -20.584 13.382 1.00 23.31 C ATOM 1592 CD1 PHE A 97 -19.660 -19.513 14.246 1.00 13.12 C ATOM 1593 CD2 PHE A 97 -18.735 -21.134 12.765 1.00 13.41 C ATOM 1594 CE1 PHE A 97 -18.401 -19.004 14.484 1.00 60.50 C ATOM 1595 CE2 PHE A 97 -17.471 -20.629 13.003 1.00 74.41 C ATOM 1596 CZ PHE A 97 -17.304 -19.562 13.861 1.00 31.32 C ATOM 0 H PHE A 97 -20.858 -19.457 10.621 1.00 5.40 H new ATOM 0 HA PHE A 97 -23.048 -20.705 12.069 1.00 34.14 H new ATOM 0 HB2 PHE A 97 -21.766 -21.207 14.053 1.00 22.33 H new ATOM 0 HB3 PHE A 97 -21.135 -22.137 12.709 1.00 22.33 H new ATOM 0 HD1 PHE A 97 -20.515 -19.073 14.738 1.00 13.12 H new ATOM 0 HD2 PHE A 97 -18.858 -21.968 12.090 1.00 13.41 H new ATOM 0 HE1 PHE A 97 -18.274 -18.169 15.157 1.00 60.50 H new ATOM 0 HE2 PHE A 97 -16.613 -21.070 12.517 1.00 74.41 H new ATOM 0 HZ PHE A 97 -16.317 -19.164 14.045 1.00 31.32 H new ATOM 1606 N SER A 98 -22.817 -18.623 13.742 1.00 31.42 N ATOM 1607 CA SER A 98 -22.845 -17.320 14.391 1.00 44.40 C ATOM 1608 C SER A 98 -23.652 -17.375 15.676 1.00 1.11 C ATOM 1609 O SER A 98 -24.152 -18.435 16.057 1.00 34.40 O ATOM 1610 CB SER A 98 -23.431 -16.257 13.460 1.00 61.23 C ATOM 1611 OG SER A 98 -24.715 -16.638 12.993 1.00 71.03 O ATOM 0 H SER A 98 -23.375 -19.337 14.210 1.00 31.42 H new ATOM 0 HA SER A 98 -21.817 -17.049 14.630 1.00 44.40 H new ATOM 0 HB2 SER A 98 -23.500 -15.306 13.987 1.00 61.23 H new ATOM 0 HB3 SER A 98 -22.763 -16.104 12.612 1.00 61.23 H new ATOM 0 HG SER A 98 -25.304 -15.855 12.981 1.00 71.03 H new ATOM 1617 N LYS A 99 -23.749 -16.229 16.339 1.00 72.30 N ATOM 1618 CA LYS A 99 -24.599 -16.060 17.510 1.00 35.54 C ATOM 1619 C LYS A 99 -24.259 -17.082 18.586 1.00 51.14 C ATOM 1620 O LYS A 99 -25.017 -18.022 18.836 1.00 34.05 O ATOM 1621 CB LYS A 99 -26.083 -16.166 17.131 1.00 22.34 C ATOM 1622 CG LYS A 99 -26.484 -15.332 15.917 1.00 64.23 C ATOM 1623 CD LYS A 99 -26.007 -13.888 16.019 1.00 3.52 C ATOM 1624 CE LYS A 99 -26.461 -13.225 17.309 1.00 14.52 C ATOM 1625 NZ LYS A 99 -27.941 -13.198 17.445 1.00 12.21 N ATOM 0 H LYS A 99 -23.237 -15.386 16.077 1.00 72.30 H new ATOM 0 HA LYS A 99 -24.413 -15.063 17.910 1.00 35.54 H new ATOM 0 HB2 LYS A 99 -26.321 -17.211 16.934 1.00 22.34 H new ATOM 0 HB3 LYS A 99 -26.687 -15.857 17.984 1.00 22.34 H new ATOM 0 HG2 LYS A 99 -26.071 -15.785 15.016 1.00 64.23 H new ATOM 0 HG3 LYS A 99 -27.569 -15.347 15.812 1.00 64.23 H new ATOM 0 HD2 LYS A 99 -24.919 -13.861 15.962 1.00 3.52 H new ATOM 0 HD3 LYS A 99 -26.385 -13.321 15.168 1.00 3.52 H new ATOM 0 HE2 LYS A 99 -26.031 -13.757 18.158 1.00 14.52 H new ATOM 0 HE3 LYS A 99 -26.077 -12.205 17.344 1.00 14.52 H new ATOM 0 HZ1 LYS A 99 -28.201 -12.677 18.306 1.00 12.21 H new ATOM 0 HZ2 LYS A 99 -28.357 -12.727 16.616 1.00 12.21 H new ATOM 0 HZ3 LYS A 99 -28.302 -14.171 17.507 1.00 12.21 H new ATOM 1639 N LYS A 100 -23.109 -16.905 19.206 1.00 14.33 N ATOM 1640 CA LYS A 100 -22.655 -17.824 20.230 1.00 15.11 C ATOM 1641 C LYS A 100 -23.032 -17.272 21.599 1.00 62.15 C ATOM 1642 O LYS A 100 -23.285 -16.074 21.741 1.00 31.35 O ATOM 1643 CB LYS A 100 -21.140 -18.041 20.114 1.00 42.21 C ATOM 1644 CG LYS A 100 -20.598 -19.242 20.890 1.00 22.33 C ATOM 1645 CD LYS A 100 -20.794 -20.569 20.150 1.00 51.11 C ATOM 1646 CE LYS A 100 -22.221 -21.095 20.251 1.00 62.22 C ATOM 1647 NZ LYS A 100 -22.371 -22.431 19.612 1.00 5.51 N ATOM 0 H LYS A 100 -22.471 -16.132 19.018 1.00 14.33 H new ATOM 0 HA LYS A 100 -23.138 -18.792 20.098 1.00 15.11 H new ATOM 0 HB2 LYS A 100 -20.885 -18.163 19.061 1.00 42.21 H new ATOM 0 HB3 LYS A 100 -20.632 -17.142 20.463 1.00 42.21 H new ATOM 0 HG2 LYS A 100 -19.536 -19.093 21.084 1.00 22.33 H new ATOM 0 HG3 LYS A 100 -21.094 -19.296 21.859 1.00 22.33 H new ATOM 0 HD2 LYS A 100 -20.534 -20.436 19.100 1.00 51.11 H new ATOM 0 HD3 LYS A 100 -20.108 -21.312 20.557 1.00 51.11 H new ATOM 0 HE2 LYS A 100 -22.509 -21.161 21.300 1.00 62.22 H new ATOM 0 HE3 LYS A 100 -22.902 -20.388 19.777 1.00 62.22 H new ATOM 0 HZ1 LYS A 100 -23.356 -22.751 19.704 1.00 5.51 H new ATOM 0 HZ2 LYS A 100 -22.121 -22.364 18.605 1.00 5.51 H new ATOM 0 HZ3 LYS A 100 -21.741 -23.113 20.081 1.00 5.51 H new ATOM 1661 N LYS A 101 -23.086 -18.140 22.595 1.00 21.23 N ATOM 1662 CA LYS A 101 -23.534 -17.747 23.920 1.00 31.22 C ATOM 1663 C LYS A 101 -22.369 -17.202 24.727 1.00 32.11 C ATOM 1664 O LYS A 101 -22.165 -15.971 24.729 1.00 37.82 O ATOM 1665 CB LYS A 101 -24.156 -18.945 24.641 1.00 62.51 C ATOM 1666 CG LYS A 101 -25.141 -19.726 23.783 1.00 40.21 C ATOM 1667 CD LYS A 101 -26.315 -18.867 23.336 1.00 12.52 C ATOM 1668 CE LYS A 101 -27.467 -18.901 24.331 1.00 5.44 C ATOM 1669 NZ LYS A 101 -27.094 -18.350 25.659 1.00 33.44 N ATOM 1670 OXT LYS A 101 -21.652 -18.011 25.348 1.00 37.82 O ATOM 0 H LYS A 101 -22.825 -19.122 22.511 1.00 21.23 H new ATOM 0 HA LYS A 101 -24.287 -16.966 23.818 1.00 31.22 H new ATOM 0 HB2 LYS A 101 -23.361 -19.615 24.968 1.00 62.51 H new ATOM 0 HB3 LYS A 101 -24.666 -18.594 25.538 1.00 62.51 H new ATOM 0 HG2 LYS A 101 -24.626 -20.120 22.907 1.00 40.21 H new ATOM 0 HG3 LYS A 101 -25.512 -20.582 24.346 1.00 40.21 H new ATOM 0 HD2 LYS A 101 -25.981 -17.838 23.206 1.00 12.52 H new ATOM 0 HD3 LYS A 101 -26.667 -19.213 22.364 1.00 12.52 H new ATOM 0 HE2 LYS A 101 -28.306 -18.333 23.929 1.00 5.44 H new ATOM 0 HE3 LYS A 101 -27.807 -19.929 24.452 1.00 5.44 H new ATOM 0 HZ1 LYS A 101 -27.954 -18.065 26.171 1.00 33.44 H new ATOM 0 HZ2 LYS A 101 -26.589 -19.076 26.207 1.00 33.44 H new ATOM 0 HZ3 LYS A 101 -26.477 -17.522 25.531 1.00 33.44 H new TER 1684 LYS A 101 HETATM 1685 ZN ZN A 201 -20.450 -13.655 5.941 1.00 60.31 ZN