USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 73:sc= 0.415 USER MOD Set 1.2: A 90 TYR OH : rot -176:sc= 1.04 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.0444 K(o=-0.044,f=-6.1!) USER MOD Set 2.2: A 96 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 26 SER OG : rot 121:sc= 0.312 USER MOD Set 3.2: A 32 GLN :FLIP amide:sc= 0.36 F(o=-0.086,f=0.67) USER MOD Single : A 6 SER OG : rot 31:sc= 0.0105 USER MOD Single : A 8 THR OG1 : rot -150:sc= 0.0767 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -29:sc= 0.075 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 0.121 (180deg=-1.38!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.41) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 150:sc= -0.441 USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 60 HIS : no HE2:sc= 0.143 K(o=0.14,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.096) USER MOD Single : A 65 ASN : amide:sc= 0.067 X(o=0.067,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.796 F(o=-1.3,f=-0.8) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc=-0.000214 X(o=-0.00021,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 91 SER OG : rot 180:sc= -0.111 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.021) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.488 X(o=0.49,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.644 K(o=0.64,f=-0.065) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 109 TYR OH : rot 130:sc= 1.85 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -7.553 -12.411 -12.699 1.00 12.35 N ATOM 64 CA SER A 6 -7.245 -12.549 -11.280 1.00 62.10 C ATOM 65 C SER A 6 -6.703 -13.944 -10.965 1.00 71.34 C ATOM 66 O SER A 6 -7.155 -14.607 -10.030 1.00 22.54 O ATOM 67 CB SER A 6 -8.462 -12.178 -10.427 1.00 10.35 C ATOM 68 OG SER A 6 -8.819 -10.810 -10.572 1.00 5.11 O ATOM 0 HA SER A 6 -6.451 -11.848 -11.024 1.00 62.10 H new ATOM 0 HB2 SER A 6 -9.307 -12.805 -10.710 1.00 10.35 H new ATOM 0 HB3 SER A 6 -8.247 -12.387 -9.379 1.00 10.35 H new ATOM 0 HG SER A 6 -8.592 -10.507 -11.476 1.00 5.11 H new ATOM 73 N ASP A 7 -5.687 -14.352 -11.730 1.00 13.22 N ATOM 74 CA ASP A 7 -4.990 -15.633 -11.535 1.00 54.21 C ATOM 75 C ASP A 7 -3.758 -15.519 -10.645 1.00 45.12 C ATOM 76 O ASP A 7 -2.980 -16.452 -10.467 1.00 44.31 O ATOM 77 CB ASP A 7 -4.614 -16.213 -12.893 1.00 74.33 C ATOM 78 CG ASP A 7 -4.625 -17.747 -12.823 1.00 23.25 C ATOM 79 OD1 ASP A 7 -5.711 -18.357 -12.968 1.00 41.44 O ATOM 80 OD2 ASP A 7 -3.567 -18.387 -12.634 1.00 21.31 O ATOM 0 H ASP A 7 -5.320 -13.802 -12.507 1.00 13.22 H new ATOM 0 HA ASP A 7 -5.677 -16.301 -11.015 1.00 54.21 H new ATOM 0 HB2 ASP A 7 -5.316 -15.869 -13.653 1.00 74.33 H new ATOM 0 HB3 ASP A 7 -3.626 -15.860 -13.189 1.00 74.33 H new ATOM 84 N THR A 8 -3.586 -14.330 -10.092 1.00 73.52 N ATOM 85 CA THR A 8 -2.525 -13.959 -9.172 1.00 53.03 C ATOM 86 C THR A 8 -2.431 -14.943 -7.983 1.00 13.35 C ATOM 87 O THR A 8 -3.470 -15.417 -7.502 1.00 44.41 O ATOM 88 CB THR A 8 -2.737 -12.501 -8.699 1.00 3.11 C ATOM 89 OG1 THR A 8 -4.096 -12.089 -8.760 1.00 73.11 O ATOM 90 CG2 THR A 8 -1.976 -11.517 -9.585 1.00 44.41 C ATOM 0 H THR A 8 -4.219 -13.554 -10.284 1.00 73.52 H new ATOM 0 HA THR A 8 -1.570 -14.019 -9.694 1.00 53.03 H new ATOM 0 HB THR A 8 -2.381 -12.492 -7.669 1.00 3.11 H new ATOM 0 HG1 THR A 8 -4.138 -11.124 -8.924 1.00 73.11 H new ATOM 0 HG21 THR A 8 -2.144 -10.501 -9.228 1.00 44.41 H new ATOM 0 HG22 THR A 8 -0.910 -11.743 -9.548 1.00 44.41 H new ATOM 0 HG23 THR A 8 -2.330 -11.604 -10.612 1.00 44.41 H new ATOM 98 N PRO A 9 -1.216 -15.206 -7.467 1.00 45.02 N ATOM 99 CA PRO A 9 -0.994 -16.141 -6.365 1.00 2.11 C ATOM 100 C PRO A 9 -1.664 -15.658 -5.071 1.00 70.52 C ATOM 101 O PRO A 9 -2.131 -14.519 -4.979 1.00 51.31 O ATOM 102 CB PRO A 9 0.533 -16.247 -6.221 1.00 73.52 C ATOM 103 CG PRO A 9 1.072 -14.973 -6.866 1.00 12.31 C ATOM 104 CD PRO A 9 0.043 -14.650 -7.938 1.00 51.12 C ATOM 0 HA PRO A 9 -1.440 -17.115 -6.566 1.00 2.11 H new ATOM 0 HB2 PRO A 9 0.828 -16.316 -5.174 1.00 73.52 H new ATOM 0 HB3 PRO A 9 0.917 -17.137 -6.720 1.00 73.52 H new ATOM 0 HG2 PRO A 9 1.163 -14.164 -6.141 1.00 12.31 H new ATOM 0 HG3 PRO A 9 2.062 -15.129 -7.295 1.00 12.31 H new ATOM 0 HD2 PRO A 9 -0.038 -13.574 -8.089 1.00 51.12 H new ATOM 0 HD3 PRO A 9 0.328 -15.086 -8.896 1.00 51.12 H new ATOM 109 N LYS A 10 -1.706 -16.518 -4.051 1.00 50.23 N ATOM 110 CA LYS A 10 -2.213 -16.164 -2.732 1.00 4.23 C ATOM 111 C LYS A 10 -1.035 -15.841 -1.836 1.00 22.55 C ATOM 112 O LYS A 10 -0.043 -16.575 -1.825 1.00 45.02 O ATOM 113 CB LYS A 10 -3.051 -17.293 -2.118 1.00 42.12 C ATOM 114 CG LYS A 10 -4.390 -17.512 -2.837 1.00 5.01 C ATOM 115 CD LYS A 10 -4.264 -18.344 -4.122 1.00 42.13 C ATOM 116 CE LYS A 10 -5.487 -19.216 -4.393 1.00 71.22 C ATOM 117 NZ LYS A 10 -5.444 -20.460 -3.599 1.00 62.24 N ATOM 0 H LYS A 10 -1.386 -17.484 -4.122 1.00 50.23 H new ATOM 0 HA LYS A 10 -2.868 -15.298 -2.829 1.00 4.23 H new ATOM 0 HB2 LYS A 10 -2.476 -18.219 -2.144 1.00 42.12 H new ATOM 0 HB3 LYS A 10 -3.242 -17.066 -1.069 1.00 42.12 H new ATOM 0 HG2 LYS A 10 -5.082 -18.010 -2.157 1.00 5.01 H new ATOM 0 HG3 LYS A 10 -4.825 -16.543 -3.082 1.00 5.01 H new ATOM 0 HD2 LYS A 10 -4.108 -17.674 -4.968 1.00 42.13 H new ATOM 0 HD3 LYS A 10 -3.381 -18.979 -4.051 1.00 42.13 H new ATOM 0 HE2 LYS A 10 -6.393 -18.660 -4.153 1.00 71.22 H new ATOM 0 HE3 LYS A 10 -5.534 -19.461 -5.454 1.00 71.22 H new ATOM 0 HZ1 LYS A 10 -6.288 -21.032 -3.804 1.00 62.24 H new ATOM 0 HZ2 LYS A 10 -4.591 -21.001 -3.847 1.00 62.24 H new ATOM 0 HZ3 LYS A 10 -5.423 -20.225 -2.586 1.00 62.24 H new ATOM 127 N VAL A 11 -1.127 -14.740 -1.096 1.00 21.22 N ATOM 128 CA VAL A 11 -0.126 -14.422 -0.090 1.00 11.04 C ATOM 129 C VAL A 11 -0.212 -15.523 0.968 1.00 44.44 C ATOM 130 O VAL A 11 -1.307 -15.975 1.321 1.00 31.44 O ATOM 131 CB VAL A 11 -0.371 -13.017 0.487 1.00 65.23 C ATOM 132 CG1 VAL A 11 0.668 -12.624 1.544 1.00 70.21 C ATOM 133 CG2 VAL A 11 -0.326 -11.947 -0.613 1.00 22.12 C ATOM 0 H VAL A 11 -1.881 -14.058 -1.175 1.00 21.22 H new ATOM 0 HA VAL A 11 0.880 -14.394 -0.508 1.00 11.04 H new ATOM 0 HB VAL A 11 -1.359 -13.063 0.946 1.00 65.23 H new ATOM 0 HG11 VAL A 11 0.447 -11.624 1.917 1.00 70.21 H new ATOM 0 HG12 VAL A 11 0.634 -13.335 2.370 1.00 70.21 H new ATOM 0 HG13 VAL A 11 1.662 -12.633 1.098 1.00 70.21 H new ATOM 0 HG21 VAL A 11 -0.503 -10.965 -0.173 1.00 22.12 H new ATOM 0 HG22 VAL A 11 0.653 -11.959 -1.092 1.00 22.12 H new ATOM 0 HG23 VAL A 11 -1.096 -12.156 -1.355 1.00 22.12 H new ATOM 143 N THR A 12 0.939 -15.956 1.473 1.00 31.31 N ATOM 144 CA THR A 12 1.008 -16.958 2.523 1.00 24.12 C ATOM 145 C THR A 12 2.068 -16.599 3.582 1.00 52.34 C ATOM 146 O THR A 12 2.244 -17.327 4.558 1.00 63.20 O ATOM 147 CB THR A 12 1.081 -18.357 1.873 1.00 70.44 C ATOM 148 OG1 THR A 12 0.763 -19.340 2.833 1.00 32.42 O ATOM 149 CG2 THR A 12 2.402 -18.662 1.160 1.00 43.20 C ATOM 0 H THR A 12 1.850 -15.619 1.163 1.00 31.31 H new ATOM 0 HA THR A 12 0.100 -16.980 3.125 1.00 24.12 H new ATOM 0 HB THR A 12 0.340 -18.369 1.074 1.00 70.44 H new ATOM 0 HG1 THR A 12 1.024 -19.024 3.723 1.00 32.42 H new ATOM 0 HG21 THR A 12 2.363 -19.665 0.734 1.00 43.20 H new ATOM 0 HG22 THR A 12 2.562 -17.936 0.363 1.00 43.20 H new ATOM 0 HG23 THR A 12 3.223 -18.603 1.874 1.00 43.20 H new ATOM 157 N GLY A 13 2.722 -15.434 3.489 1.00 2.34 N ATOM 158 CA GLY A 13 3.414 -14.843 4.626 1.00 42.20 C ATOM 159 C GLY A 13 3.466 -13.334 4.491 1.00 70.52 C ATOM 160 O GLY A 13 3.508 -12.823 3.372 1.00 72.30 O ATOM 0 H GLY A 13 2.782 -14.885 2.631 1.00 2.34 H new ATOM 0 HA2 GLY A 13 2.904 -15.114 5.550 1.00 42.20 H new ATOM 0 HA3 GLY A 13 4.426 -15.243 4.691 1.00 42.20 H new ATOM 164 N LEU A 14 3.488 -12.630 5.622 1.00 73.41 N ATOM 165 CA LEU A 14 3.672 -11.188 5.700 1.00 3.45 C ATOM 166 C LEU A 14 4.583 -10.890 6.895 1.00 34.44 C ATOM 167 O LEU A 14 4.646 -11.686 7.838 1.00 14.32 O ATOM 168 CB LEU A 14 2.324 -10.450 5.855 1.00 10.12 C ATOM 169 CG LEU A 14 1.359 -10.633 4.660 1.00 72.54 C ATOM 170 CD1 LEU A 14 0.343 -11.761 4.913 1.00 12.24 C ATOM 171 CD2 LEU A 14 0.581 -9.357 4.338 1.00 1.05 C ATOM 0 H LEU A 14 3.374 -13.065 6.537 1.00 73.41 H new ATOM 0 HA LEU A 14 4.125 -10.832 4.775 1.00 3.45 H new ATOM 0 HB2 LEU A 14 1.832 -10.802 6.762 1.00 10.12 H new ATOM 0 HB3 LEU A 14 2.519 -9.386 5.991 1.00 10.12 H new ATOM 0 HG LEU A 14 1.995 -10.890 3.813 1.00 72.54 H new ATOM 0 HD11 LEU A 14 -0.316 -11.857 4.050 1.00 12.24 H new ATOM 0 HD12 LEU A 14 0.874 -12.700 5.071 1.00 12.24 H new ATOM 0 HD13 LEU A 14 -0.249 -11.526 5.797 1.00 12.24 H new ATOM 0 HD21 LEU A 14 -0.082 -9.539 3.492 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -0.010 -9.063 5.205 1.00 1.05 H new ATOM 0 HD23 LEU A 14 1.279 -8.559 4.087 1.00 1.05 H new ATOM 182 N LYS A 15 5.255 -9.740 6.885 1.00 54.44 N ATOM 183 CA LYS A 15 6.102 -9.241 7.969 1.00 2.11 C ATOM 184 C LYS A 15 6.028 -7.720 7.958 1.00 2.25 C ATOM 185 O LYS A 15 5.641 -7.121 6.959 1.00 14.25 O ATOM 186 CB LYS A 15 7.558 -9.724 7.771 1.00 42.30 C ATOM 187 CG LYS A 15 8.068 -10.682 8.856 1.00 73.30 C ATOM 188 CD LYS A 15 8.360 -10.001 10.205 1.00 72.13 C ATOM 189 CE LYS A 15 7.373 -10.448 11.286 1.00 42.42 C ATOM 190 NZ LYS A 15 7.668 -11.805 11.789 1.00 24.24 N ATOM 0 H LYS A 15 5.223 -9.103 6.089 1.00 54.44 H new ATOM 0 HA LYS A 15 5.757 -9.620 8.931 1.00 2.11 H new ATOM 0 HB2 LYS A 15 7.634 -10.219 6.803 1.00 42.30 H new ATOM 0 HB3 LYS A 15 8.214 -8.854 7.736 1.00 42.30 H new ATOM 0 HG2 LYS A 15 7.328 -11.467 9.010 1.00 73.30 H new ATOM 0 HG3 LYS A 15 8.978 -11.166 8.501 1.00 73.30 H new ATOM 0 HD2 LYS A 15 9.377 -10.236 10.520 1.00 72.13 H new ATOM 0 HD3 LYS A 15 8.306 -8.919 10.086 1.00 72.13 H new ATOM 0 HE2 LYS A 15 7.402 -9.741 12.115 1.00 42.42 H new ATOM 0 HE3 LYS A 15 6.361 -10.425 10.882 1.00 42.42 H new ATOM 0 HZ1 LYS A 15 6.973 -12.063 12.519 1.00 24.24 H new ATOM 0 HZ2 LYS A 15 7.615 -12.485 11.004 1.00 24.24 H new ATOM 0 HZ3 LYS A 15 8.624 -11.823 12.199 1.00 24.24 H new ATOM 200 N LEU A 16 6.415 -7.077 9.056 1.00 11.24 N ATOM 201 CA LEU A 16 6.485 -5.626 9.166 1.00 24.33 C ATOM 202 C LEU A 16 7.925 -5.242 9.474 1.00 22.22 C ATOM 203 O LEU A 16 8.654 -6.005 10.112 1.00 54.31 O ATOM 204 CB LEU A 16 5.530 -5.123 10.275 1.00 11.41 C ATOM 205 CG LEU A 16 4.236 -4.462 9.814 1.00 14.14 C ATOM 206 CD1 LEU A 16 4.469 -3.090 9.192 1.00 62.11 C ATOM 207 CD2 LEU A 16 3.420 -5.404 8.927 1.00 30.34 C ATOM 0 H LEU A 16 6.694 -7.561 9.910 1.00 11.24 H new ATOM 0 HA LEU A 16 6.173 -5.162 8.230 1.00 24.33 H new ATOM 0 HB2 LEU A 16 5.272 -5.969 10.912 1.00 11.41 H new ATOM 0 HB3 LEU A 16 6.074 -4.411 10.896 1.00 11.41 H new ATOM 0 HG LEU A 16 3.631 -4.269 10.700 1.00 14.14 H new ATOM 0 HD11 LEU A 16 3.515 -2.665 8.881 1.00 62.11 H new ATOM 0 HD12 LEU A 16 4.938 -2.433 9.925 1.00 62.11 H new ATOM 0 HD13 LEU A 16 5.121 -3.190 8.324 1.00 62.11 H new ATOM 0 HD21 LEU A 16 2.503 -4.905 8.614 1.00 30.34 H new ATOM 0 HD22 LEU A 16 4.005 -5.674 8.048 1.00 30.34 H new ATOM 0 HD23 LEU A 16 3.170 -6.305 9.487 1.00 30.34 H new ATOM 218 N LYS A 17 8.294 -4.017 9.096 1.00 34.11 N ATOM 219 CA LYS A 17 9.480 -3.310 9.580 1.00 1.32 C ATOM 220 C LYS A 17 8.972 -1.976 10.076 1.00 63.11 C ATOM 221 O LYS A 17 8.717 -1.076 9.278 1.00 42.13 O ATOM 222 CB LYS A 17 10.625 -3.117 8.560 1.00 53.34 C ATOM 223 CG LYS A 17 10.208 -2.965 7.099 1.00 25.43 C ATOM 224 CD LYS A 17 10.065 -4.277 6.320 1.00 51.03 C ATOM 225 CE LYS A 17 11.437 -4.769 5.821 1.00 12.32 C ATOM 226 NZ LYS A 17 12.047 -5.762 6.730 1.00 30.30 N ATOM 0 H LYS A 17 7.757 -3.472 8.422 1.00 34.11 H new ATOM 0 HA LYS A 17 9.952 -3.920 10.350 1.00 1.32 H new ATOM 0 HB2 LYS A 17 11.194 -2.233 8.847 1.00 53.34 H new ATOM 0 HB3 LYS A 17 11.300 -3.970 8.637 1.00 53.34 H new ATOM 0 HG2 LYS A 17 9.257 -2.434 7.063 1.00 25.43 H new ATOM 0 HG3 LYS A 17 10.942 -2.338 6.592 1.00 25.43 H new ATOM 0 HD2 LYS A 17 9.611 -5.036 6.957 1.00 51.03 H new ATOM 0 HD3 LYS A 17 9.396 -4.131 5.472 1.00 51.03 H new ATOM 0 HE2 LYS A 17 11.323 -5.210 4.831 1.00 12.32 H new ATOM 0 HE3 LYS A 17 12.109 -3.917 5.716 1.00 12.32 H new ATOM 0 HZ1 LYS A 17 12.722 -6.350 6.200 1.00 30.30 H new ATOM 0 HZ2 LYS A 17 12.546 -5.269 7.498 1.00 30.30 H new ATOM 0 HZ3 LYS A 17 11.303 -6.367 7.133 1.00 30.30 H new ATOM 236 N ARG A 18 8.832 -1.863 11.395 1.00 24.24 N ATOM 237 CA ARG A 18 8.422 -0.632 12.058 1.00 13.42 C ATOM 238 C ARG A 18 9.299 0.530 11.595 1.00 31.31 C ATOM 239 O ARG A 18 8.801 1.542 11.112 1.00 72.14 O ATOM 240 CB ARG A 18 8.422 -0.867 13.588 1.00 42.43 C ATOM 241 CG ARG A 18 9.792 -0.854 14.306 1.00 2.03 C ATOM 242 CD ARG A 18 9.654 -1.236 15.784 1.00 3.22 C ATOM 243 NE ARG A 18 9.748 -2.691 16.003 1.00 34.30 N ATOM 244 CZ ARG A 18 8.952 -3.416 16.799 1.00 5.42 C ATOM 245 NH1 ARG A 18 7.977 -2.846 17.499 1.00 33.54 N ATOM 246 NH2 ARG A 18 9.128 -4.727 16.905 1.00 34.52 N ATOM 0 H ARG A 18 9.003 -2.635 12.040 1.00 24.24 H new ATOM 0 HA ARG A 18 7.405 -0.351 11.784 1.00 13.42 H new ATOM 0 HB2 ARG A 18 7.793 -0.104 14.047 1.00 42.43 H new ATOM 0 HB3 ARG A 18 7.948 -1.829 13.782 1.00 42.43 H new ATOM 0 HG2 ARG A 18 10.470 -1.549 13.811 1.00 2.03 H new ATOM 0 HG3 ARG A 18 10.237 0.138 14.225 1.00 2.03 H new ATOM 0 HD2 ARG A 18 10.432 -0.734 16.360 1.00 3.22 H new ATOM 0 HD3 ARG A 18 8.697 -0.876 16.161 1.00 3.22 H new ATOM 0 HE ARG A 18 10.485 -3.190 15.504 1.00 34.30 H new ATOM 0 HH11 ARG A 18 7.825 -1.839 17.435 1.00 33.54 H new ATOM 0 HH12 ARG A 18 7.381 -3.415 18.100 1.00 33.54 H new ATOM 0 HH21 ARG A 18 9.872 -5.186 16.379 1.00 34.52 H new ATOM 0 HH22 ARG A 18 8.520 -5.276 17.512 1.00 34.52 H new ATOM 257 N LYS A 19 10.610 0.280 11.646 1.00 73.22 N ATOM 258 CA LYS A 19 11.722 1.197 11.465 1.00 62.11 C ATOM 259 C LYS A 19 11.494 2.070 10.234 1.00 41.01 C ATOM 260 O LYS A 19 11.239 3.267 10.352 1.00 50.35 O ATOM 261 CB LYS A 19 13.029 0.387 11.427 1.00 5.40 C ATOM 262 CG LYS A 19 13.107 -0.581 12.632 1.00 63.54 C ATOM 263 CD LYS A 19 14.540 -0.958 12.988 1.00 44.31 C ATOM 264 CE LYS A 19 15.193 0.179 13.771 1.00 61.25 C ATOM 265 NZ LYS A 19 14.887 0.178 15.211 1.00 25.41 N ATOM 0 H LYS A 19 10.944 -0.665 11.834 1.00 73.22 H new ATOM 0 HA LYS A 19 11.799 1.891 12.302 1.00 62.11 H new ATOM 0 HB2 LYS A 19 13.086 -0.177 10.496 1.00 5.40 H new ATOM 0 HB3 LYS A 19 13.883 1.064 11.442 1.00 5.40 H new ATOM 0 HG2 LYS A 19 12.631 -0.118 13.497 1.00 63.54 H new ATOM 0 HG3 LYS A 19 12.543 -1.485 12.404 1.00 63.54 H new ATOM 0 HD2 LYS A 19 14.549 -1.873 13.581 1.00 44.31 H new ATOM 0 HD3 LYS A 19 15.109 -1.161 12.081 1.00 44.31 H new ATOM 0 HE2 LYS A 19 16.274 0.120 13.641 1.00 61.25 H new ATOM 0 HE3 LYS A 19 14.872 1.129 13.344 1.00 61.25 H new ATOM 0 HZ1 LYS A 19 15.367 0.979 15.668 1.00 25.41 H new ATOM 0 HZ2 LYS A 19 13.860 0.266 15.348 1.00 25.41 H new ATOM 0 HZ3 LYS A 19 15.218 -0.712 15.636 1.00 25.41 H new ATOM 275 N SER A 20 11.495 1.422 9.076 1.00 42.12 N ATOM 276 CA SER A 20 11.411 1.998 7.741 1.00 14.10 C ATOM 277 C SER A 20 9.960 2.209 7.294 1.00 10.03 C ATOM 278 O SER A 20 9.691 2.467 6.116 1.00 5.14 O ATOM 279 CB SER A 20 12.081 0.993 6.800 1.00 30.43 C ATOM 280 OG SER A 20 13.346 0.609 7.303 1.00 44.34 O ATOM 0 H SER A 20 11.559 0.405 9.044 1.00 42.12 H new ATOM 0 HA SER A 20 11.893 2.975 7.730 1.00 14.10 H new ATOM 0 HB2 SER A 20 11.447 0.114 6.686 1.00 30.43 H new ATOM 0 HB3 SER A 20 12.196 1.434 5.810 1.00 30.43 H new ATOM 0 HG SER A 20 13.760 -0.035 6.691 1.00 44.34 H new ATOM 285 N ARG A 21 9.016 1.922 8.194 1.00 31.44 N ATOM 286 CA ARG A 21 7.590 1.862 7.990 1.00 71.12 C ATOM 287 C ARG A 21 7.206 1.166 6.694 1.00 24.22 C ATOM 288 O ARG A 21 6.497 1.698 5.841 1.00 72.22 O ATOM 289 CB ARG A 21 6.903 3.155 8.334 1.00 21.50 C ATOM 290 CG ARG A 21 7.175 4.360 7.444 1.00 50.11 C ATOM 291 CD ARG A 21 7.868 5.474 8.224 1.00 62.43 C ATOM 292 NE ARG A 21 7.779 6.726 7.460 1.00 72.24 N ATOM 293 CZ ARG A 21 8.804 7.532 7.165 1.00 24.34 C ATOM 294 NH1 ARG A 21 9.828 7.709 7.992 1.00 21.53 N ATOM 295 NH2 ARG A 21 8.799 8.170 6.007 1.00 63.51 N ATOM 0 H ARG A 21 9.264 1.710 9.160 1.00 31.44 H new ATOM 0 HA ARG A 21 7.162 1.183 8.728 1.00 71.12 H new ATOM 0 HB2 ARG A 21 5.828 2.974 8.334 1.00 21.50 H new ATOM 0 HB3 ARG A 21 7.181 3.422 9.354 1.00 21.50 H new ATOM 0 HG2 ARG A 21 7.798 4.060 6.601 1.00 50.11 H new ATOM 0 HG3 ARG A 21 6.237 4.730 7.031 1.00 50.11 H new ATOM 0 HD2 ARG A 21 7.400 5.596 9.201 1.00 62.43 H new ATOM 0 HD3 ARG A 21 8.912 5.215 8.401 1.00 62.43 H new ATOM 0 HE ARG A 21 6.856 7.004 7.126 1.00 72.24 H new ATOM 0 HH11 ARG A 21 9.850 7.221 8.888 1.00 21.53 H new ATOM 0 HH12 ARG A 21 10.592 8.333 7.732 1.00 21.53 H new ATOM 0 HH21 ARG A 21 8.023 8.043 5.358 1.00 63.51 H new ATOM 0 HH22 ARG A 21 9.572 8.790 5.763 1.00 63.51 H new ATOM 306 N GLN A 22 7.699 -0.054 6.543 1.00 4.12 N ATOM 307 CA GLN A 22 7.501 -0.865 5.357 1.00 1.31 C ATOM 308 C GLN A 22 6.856 -2.177 5.788 1.00 24.51 C ATOM 309 O GLN A 22 6.844 -2.519 6.975 1.00 52.41 O ATOM 310 CB GLN A 22 8.845 -1.048 4.626 1.00 43.03 C ATOM 311 CG GLN A 22 9.091 -0.026 3.510 1.00 30.10 C ATOM 312 CD GLN A 22 10.204 -0.481 2.571 1.00 4.12 C ATOM 313 OE1 GLN A 22 9.938 -1.095 1.548 1.00 32.31 O ATOM 314 NE2 GLN A 22 11.456 -0.210 2.881 1.00 44.13 N ATOM 0 H GLN A 22 8.260 -0.516 7.259 1.00 4.12 H new ATOM 0 HA GLN A 22 6.832 -0.385 4.642 1.00 1.31 H new ATOM 0 HB2 GLN A 22 9.655 -0.979 5.353 1.00 43.03 H new ATOM 0 HB3 GLN A 22 8.882 -2.051 4.201 1.00 43.03 H new ATOM 0 HG2 GLN A 22 8.172 0.123 2.942 1.00 30.10 H new ATOM 0 HG3 GLN A 22 9.354 0.937 3.948 1.00 30.10 H new ATOM 0 HE21 GLN A 22 11.670 0.303 3.736 1.00 44.13 H new ATOM 0 HE22 GLN A 22 12.211 -0.513 2.266 1.00 44.13 H new ATOM 321 N LEU A 23 6.316 -2.921 4.834 1.00 30.43 N ATOM 322 CA LEU A 23 5.647 -4.190 5.057 1.00 22.41 C ATOM 323 C LEU A 23 6.051 -5.140 3.952 1.00 63.34 C ATOM 324 O LEU A 23 6.139 -4.736 2.800 1.00 54.04 O ATOM 325 CB LEU A 23 4.124 -3.932 5.104 1.00 1.24 C ATOM 326 CG LEU A 23 3.218 -5.182 5.062 1.00 10.43 C ATOM 327 CD1 LEU A 23 1.859 -4.887 5.707 1.00 74.41 C ATOM 328 CD2 LEU A 23 2.897 -5.632 3.636 1.00 23.10 C ATOM 0 H LEU A 23 6.333 -2.647 3.852 1.00 30.43 H new ATOM 0 HA LEU A 23 5.933 -4.648 6.004 1.00 22.41 H new ATOM 0 HB2 LEU A 23 3.899 -3.376 6.014 1.00 1.24 H new ATOM 0 HB3 LEU A 23 3.860 -3.289 4.264 1.00 1.24 H new ATOM 0 HG LEU A 23 3.775 -5.955 5.591 1.00 10.43 H new ATOM 0 HD11 LEU A 23 1.236 -5.780 5.667 1.00 74.41 H new ATOM 0 HD12 LEU A 23 2.006 -4.593 6.746 1.00 74.41 H new ATOM 0 HD13 LEU A 23 1.368 -4.078 5.167 1.00 74.41 H new ATOM 0 HD21 LEU A 23 2.257 -6.514 3.668 1.00 23.10 H new ATOM 0 HD22 LEU A 23 2.382 -4.829 3.108 1.00 23.10 H new ATOM 0 HD23 LEU A 23 3.823 -5.874 3.114 1.00 23.10 H new ATOM 339 N GLU A 24 6.283 -6.394 4.312 1.00 22.41 N ATOM 340 CA GLU A 24 6.825 -7.449 3.462 1.00 23.33 C ATOM 341 C GLU A 24 5.753 -8.493 3.200 1.00 74.32 C ATOM 342 O GLU A 24 4.895 -8.725 4.056 1.00 41.43 O ATOM 343 CB GLU A 24 7.997 -8.136 4.168 1.00 50.03 C ATOM 344 CG GLU A 24 9.075 -7.117 4.523 1.00 44.41 C ATOM 345 CD GLU A 24 10.212 -7.711 5.334 1.00 65.21 C ATOM 346 OE1 GLU A 24 10.089 -7.773 6.582 1.00 44.40 O ATOM 347 OE2 GLU A 24 11.327 -7.849 4.809 1.00 23.24 O ATOM 0 H GLU A 24 6.088 -6.723 5.258 1.00 22.41 H new ATOM 0 HA GLU A 24 7.160 -7.005 2.525 1.00 23.33 H new ATOM 0 HB2 GLU A 24 7.645 -8.632 5.072 1.00 50.03 H new ATOM 0 HB3 GLU A 24 8.416 -8.908 3.523 1.00 50.03 H new ATOM 0 HG2 GLU A 24 9.477 -6.688 3.605 1.00 44.41 H new ATOM 0 HG3 GLU A 24 8.623 -6.300 5.086 1.00 44.41 H new ATOM 352 N ILE A 25 5.816 -9.119 2.026 1.00 14.21 N ATOM 353 CA ILE A 25 4.784 -9.964 1.447 1.00 10.04 C ATOM 354 C ILE A 25 5.503 -11.127 0.788 1.00 72.33 C ATOM 355 O ILE A 25 6.435 -10.895 0.021 1.00 25.51 O ATOM 356 CB ILE A 25 3.981 -9.137 0.414 1.00 65.51 C ATOM 357 CG1 ILE A 25 3.152 -8.053 1.140 1.00 44.00 C ATOM 358 CG2 ILE A 25 3.025 -10.000 -0.429 1.00 71.53 C ATOM 359 CD1 ILE A 25 2.885 -6.817 0.293 1.00 14.44 C ATOM 0 H ILE A 25 6.636 -9.043 1.423 1.00 14.21 H new ATOM 0 HA ILE A 25 4.080 -10.334 2.192 1.00 10.04 H new ATOM 0 HB ILE A 25 4.711 -8.687 -0.259 1.00 65.51 H new ATOM 0 HG12 ILE A 25 2.199 -8.483 1.449 1.00 44.00 H new ATOM 0 HG13 ILE A 25 3.677 -7.754 2.048 1.00 44.00 H new ATOM 0 HG21 ILE A 25 2.489 -9.366 -1.135 1.00 71.53 H new ATOM 0 HG22 ILE A 25 3.598 -10.749 -0.976 1.00 71.53 H new ATOM 0 HG23 ILE A 25 2.310 -10.497 0.226 1.00 71.53 H new ATOM 0 HD11 ILE A 25 2.298 -6.101 0.869 1.00 14.44 H new ATOM 0 HD12 ILE A 25 3.833 -6.362 0.005 1.00 14.44 H new ATOM 0 HD13 ILE A 25 2.332 -7.102 -0.602 1.00 14.44 H new ATOM 370 N SER A 26 5.059 -12.347 1.077 1.00 70.31 N ATOM 371 CA SER A 26 5.518 -13.581 0.467 1.00 13.44 C ATOM 372 C SER A 26 4.322 -14.298 -0.115 1.00 50.13 C ATOM 373 O SER A 26 3.291 -14.498 0.536 1.00 2.31 O ATOM 374 CB SER A 26 6.264 -14.449 1.474 1.00 32.33 C ATOM 375 OG SER A 26 7.028 -15.467 0.856 1.00 13.43 O ATOM 0 H SER A 26 4.334 -12.504 1.777 1.00 70.31 H new ATOM 0 HA SER A 26 6.227 -13.359 -0.331 1.00 13.44 H new ATOM 0 HB2 SER A 26 6.922 -13.820 2.073 1.00 32.33 H new ATOM 0 HB3 SER A 26 5.547 -14.903 2.158 1.00 32.33 H new ATOM 0 HG SER A 26 7.972 -15.359 1.096 1.00 13.43 H new ATOM 380 N PHE A 27 4.498 -14.672 -1.369 1.00 10.02 N ATOM 381 CA PHE A 27 3.513 -15.406 -2.143 1.00 4.23 C ATOM 382 C PHE A 27 3.775 -16.899 -2.040 1.00 42.13 C ATOM 383 O PHE A 27 4.789 -17.332 -1.492 1.00 61.33 O ATOM 384 CB PHE A 27 3.496 -14.910 -3.596 1.00 51.33 C ATOM 385 CG PHE A 27 2.589 -13.721 -3.831 1.00 63.24 C ATOM 386 CD1 PHE A 27 1.223 -13.853 -3.545 1.00 45.02 C ATOM 387 CD2 PHE A 27 3.063 -12.536 -4.417 1.00 52.23 C ATOM 388 CE1 PHE A 27 0.326 -12.811 -3.809 1.00 62.30 C ATOM 389 CE2 PHE A 27 2.151 -11.505 -4.708 1.00 12.44 C ATOM 390 CZ PHE A 27 0.788 -11.628 -4.395 1.00 43.12 C ATOM 0 H PHE A 27 5.351 -14.469 -1.891 1.00 10.02 H new ATOM 0 HA PHE A 27 2.519 -15.224 -1.734 1.00 4.23 H new ATOM 0 HB2 PHE A 27 4.511 -14.643 -3.890 1.00 51.33 H new ATOM 0 HB3 PHE A 27 3.181 -15.728 -4.244 1.00 51.33 H new ATOM 0 HD1 PHE A 27 0.857 -14.773 -3.114 1.00 45.02 H new ATOM 0 HD2 PHE A 27 4.113 -12.418 -4.641 1.00 52.23 H new ATOM 0 HE1 PHE A 27 -0.719 -12.920 -3.561 1.00 62.30 H new ATOM 0 HE2 PHE A 27 2.506 -10.602 -5.181 1.00 12.44 H new ATOM 0 HZ PHE A 27 0.104 -10.819 -4.604 1.00 43.12 H new ATOM 399 N ASP A 28 2.850 -17.691 -2.569 1.00 14.34 N ATOM 400 CA ASP A 28 2.939 -19.143 -2.658 1.00 1.13 C ATOM 401 C ASP A 28 3.386 -19.581 -4.072 1.00 2.35 C ATOM 402 O ASP A 28 3.074 -20.677 -4.532 1.00 2.24 O ATOM 403 CB ASP A 28 1.606 -19.741 -2.194 1.00 51.01 C ATOM 404 CG ASP A 28 1.697 -21.216 -1.806 1.00 23.22 C ATOM 405 OD1 ASP A 28 2.820 -21.768 -1.710 1.00 2.43 O ATOM 406 OD2 ASP A 28 0.636 -21.784 -1.462 1.00 31.22 O ATOM 0 H ASP A 28 1.983 -17.325 -2.963 1.00 14.34 H new ATOM 0 HA ASP A 28 3.712 -19.532 -1.995 1.00 1.13 H new ATOM 0 HB2 ASP A 28 1.240 -19.172 -1.340 1.00 51.01 H new ATOM 0 HB3 ASP A 28 0.870 -19.629 -2.991 1.00 51.01 H new ATOM 410 N ASN A 29 4.111 -18.699 -4.781 1.00 72.50 N ATOM 411 CA ASN A 29 4.667 -18.908 -6.122 1.00 42.10 C ATOM 412 C ASN A 29 6.199 -18.812 -6.165 1.00 64.54 C ATOM 413 O ASN A 29 6.787 -19.011 -7.233 1.00 70.33 O ATOM 414 CB ASN A 29 4.070 -17.889 -7.108 1.00 70.51 C ATOM 415 CG ASN A 29 4.668 -16.493 -6.984 1.00 43.10 C ATOM 416 OD1 ASN A 29 5.129 -16.090 -5.924 1.00 1.22 O ATOM 417 ND2 ASN A 29 4.674 -15.710 -8.046 1.00 63.30 N ATOM 0 H ASN A 29 4.335 -17.775 -4.412 1.00 72.50 H new ATOM 0 HA ASN A 29 4.397 -19.924 -6.410 1.00 42.10 H new ATOM 0 HB2 ASN A 29 4.221 -18.250 -8.125 1.00 70.51 H new ATOM 0 HB3 ASN A 29 2.994 -17.829 -6.947 1.00 70.51 H new ATOM 0 HD21 ASN A 29 5.063 -14.769 -7.984 1.00 63.30 H new ATOM 0 HD22 ASN A 29 4.290 -16.046 -8.929 1.00 63.30 H new ATOM 423 N GLY A 30 6.855 -18.506 -5.042 1.00 23.22 N ATOM 424 CA GLY A 30 8.304 -18.363 -4.950 1.00 70.10 C ATOM 425 C GLY A 30 8.800 -16.917 -5.066 1.00 23.44 C ATOM 426 O GLY A 30 9.963 -16.723 -5.412 1.00 24.41 O ATOM 0 H GLY A 30 6.379 -18.348 -4.154 1.00 23.22 H new ATOM 0 HA2 GLY A 30 8.639 -18.775 -3.998 1.00 70.10 H new ATOM 0 HA3 GLY A 30 8.768 -18.959 -5.736 1.00 70.10 H new ATOM 430 N GLN A 31 7.966 -15.898 -4.819 1.00 73.54 N ATOM 431 CA GLN A 31 8.369 -14.489 -4.834 1.00 5.15 C ATOM 432 C GLN A 31 8.171 -13.845 -3.459 1.00 10.34 C ATOM 433 O GLN A 31 7.360 -14.312 -2.653 1.00 13.44 O ATOM 434 CB GLN A 31 7.557 -13.722 -5.893 1.00 72.41 C ATOM 435 CG GLN A 31 7.922 -14.107 -7.336 1.00 12.15 C ATOM 436 CD GLN A 31 9.254 -13.566 -7.870 1.00 13.23 C ATOM 437 OE1 GLN A 31 9.848 -12.555 -7.243 1.00 44.42 O flip ATOM 438 NE2 GLN A 31 9.724 -14.003 -8.915 1.00 62.32 N flip ATOM 0 H GLN A 31 6.979 -16.033 -4.600 1.00 73.54 H new ATOM 0 HA GLN A 31 9.429 -14.441 -5.084 1.00 5.15 H new ATOM 0 HB2 GLN A 31 6.495 -13.909 -5.732 1.00 72.41 H new ATOM 0 HB3 GLN A 31 7.716 -12.652 -5.758 1.00 72.41 H new ATOM 0 HG2 GLN A 31 7.943 -15.195 -7.404 1.00 12.15 H new ATOM 0 HG3 GLN A 31 7.125 -13.761 -7.994 1.00 12.15 H new ATOM 0 HE21 GLN A 31 9.267 -14.779 -9.395 1.00 62.32 H new ATOM 0 HE22 GLN A 31 10.572 -13.591 -9.304 1.00 62.32 H new ATOM 445 N GLN A 32 8.877 -12.731 -3.238 1.00 43.22 N ATOM 446 CA GLN A 32 8.753 -11.847 -2.084 1.00 51.11 C ATOM 447 C GLN A 32 9.022 -10.401 -2.500 1.00 12.14 C ATOM 448 O GLN A 32 9.878 -10.147 -3.356 1.00 2.34 O ATOM 449 CB GLN A 32 9.754 -12.258 -0.984 1.00 34.54 C ATOM 450 CG GLN A 32 9.010 -13.003 0.118 1.00 1.15 C ATOM 451 CD GLN A 32 9.902 -13.549 1.223 1.00 63.11 C ATOM 452 OE1 GLN A 32 9.933 -14.851 1.430 1.00 3.11 O flip ATOM 453 NE2 GLN A 32 10.488 -12.781 1.982 1.00 3.32 N flip ATOM 0 H GLN A 32 9.586 -12.409 -3.896 1.00 43.22 H new ATOM 0 HA GLN A 32 7.739 -11.929 -1.693 1.00 51.11 H new ATOM 0 HB2 GLN A 32 10.535 -12.892 -1.405 1.00 34.54 H new ATOM 0 HB3 GLN A 32 10.246 -11.375 -0.575 1.00 34.54 H new ATOM 0 HG2 GLN A 32 8.274 -12.331 0.561 1.00 1.15 H new ATOM 0 HG3 GLN A 32 8.458 -13.830 -0.329 1.00 1.15 H new ATOM 0 HE21 GLN A 32 10.458 -11.776 1.813 1.00 3.32 H new ATOM 0 HE22 GLN A 32 11.005 -13.149 2.781 1.00 3.32 H new ATOM 460 N PHE A 33 8.336 -9.462 -1.855 1.00 50.21 N ATOM 461 CA PHE A 33 8.549 -8.021 -2.000 1.00 50.24 C ATOM 462 C PHE A 33 8.191 -7.285 -0.716 1.00 44.03 C ATOM 463 O PHE A 33 7.693 -7.878 0.243 1.00 14.05 O ATOM 464 CB PHE A 33 7.762 -7.448 -3.193 1.00 32.41 C ATOM 465 CG PHE A 33 6.330 -7.899 -3.344 1.00 25.14 C ATOM 466 CD1 PHE A 33 5.300 -7.215 -2.674 1.00 12.02 C ATOM 467 CD2 PHE A 33 6.024 -8.920 -4.258 1.00 41.24 C ATOM 468 CE1 PHE A 33 3.961 -7.529 -2.958 1.00 1.32 C ATOM 469 CE2 PHE A 33 4.687 -9.230 -4.537 1.00 65.33 C ATOM 470 CZ PHE A 33 3.653 -8.535 -3.885 1.00 41.13 C ATOM 0 H PHE A 33 7.592 -9.688 -1.195 1.00 50.21 H new ATOM 0 HA PHE A 33 9.610 -7.868 -2.199 1.00 50.24 H new ATOM 0 HB2 PHE A 33 7.769 -6.361 -3.114 1.00 32.41 H new ATOM 0 HB3 PHE A 33 8.297 -7.704 -4.107 1.00 32.41 H new ATOM 0 HD1 PHE A 33 5.537 -6.453 -1.946 1.00 12.02 H new ATOM 0 HD2 PHE A 33 6.819 -9.466 -4.745 1.00 41.24 H new ATOM 0 HE1 PHE A 33 3.166 -6.994 -2.461 1.00 1.32 H new ATOM 0 HE2 PHE A 33 4.450 -10.003 -5.253 1.00 65.33 H new ATOM 0 HZ PHE A 33 2.622 -8.776 -4.098 1.00 41.13 H new ATOM 479 N THR A 34 8.428 -5.976 -0.725 1.00 74.44 N ATOM 480 CA THR A 34 8.060 -5.032 0.309 1.00 51.42 C ATOM 481 C THR A 34 7.199 -3.936 -0.344 1.00 42.35 C ATOM 482 O THR A 34 7.262 -3.764 -1.558 1.00 33.41 O ATOM 483 CB THR A 34 9.352 -4.472 0.942 1.00 54.31 C ATOM 484 OG1 THR A 34 10.373 -5.454 1.005 1.00 3.40 O ATOM 485 CG2 THR A 34 9.137 -3.945 2.355 1.00 53.04 C ATOM 0 H THR A 34 8.911 -5.526 -1.503 1.00 74.44 H new ATOM 0 HA THR A 34 7.478 -5.495 1.106 1.00 51.42 H new ATOM 0 HB THR A 34 9.651 -3.650 0.291 1.00 54.31 H new ATOM 0 HG1 THR A 34 11.177 -5.065 1.409 1.00 3.40 H new ATOM 0 HG21 THR A 34 10.079 -3.564 2.749 1.00 53.04 H new ATOM 0 HG22 THR A 34 8.401 -3.141 2.336 1.00 53.04 H new ATOM 0 HG23 THR A 34 8.777 -4.752 2.993 1.00 53.04 H new ATOM 493 N LEU A 35 6.398 -3.209 0.435 1.00 30.40 N ATOM 494 CA LEU A 35 5.700 -1.965 0.108 1.00 63.35 C ATOM 495 C LEU A 35 5.878 -0.990 1.262 1.00 51.34 C ATOM 496 O LEU A 35 6.113 -1.406 2.401 1.00 5.13 O ATOM 497 CB LEU A 35 4.213 -2.255 -0.070 1.00 54.41 C ATOM 498 CG LEU A 35 3.898 -2.666 -1.514 1.00 73.35 C ATOM 499 CD1 LEU A 35 2.623 -3.486 -1.493 1.00 13.04 C ATOM 500 CD2 LEU A 35 3.707 -1.429 -2.389 1.00 50.04 C ATOM 0 H LEU A 35 6.204 -3.500 1.393 1.00 30.40 H new ATOM 0 HA LEU A 35 6.104 -1.541 -0.811 1.00 63.35 H new ATOM 0 HB2 LEU A 35 3.911 -3.050 0.612 1.00 54.41 H new ATOM 0 HB3 LEU A 35 3.633 -1.371 0.194 1.00 54.41 H new ATOM 0 HG LEU A 35 4.722 -3.248 -1.928 1.00 73.35 H new ATOM 0 HD11 LEU A 35 2.372 -3.794 -2.508 1.00 13.04 H new ATOM 0 HD12 LEU A 35 2.769 -4.369 -0.871 1.00 13.04 H new ATOM 0 HD13 LEU A 35 1.811 -2.885 -1.085 1.00 13.04 H new ATOM 0 HD21 LEU A 35 3.484 -1.737 -3.411 1.00 50.04 H new ATOM 0 HD22 LEU A 35 2.881 -0.833 -2.001 1.00 50.04 H new ATOM 0 HD23 LEU A 35 4.620 -0.833 -2.381 1.00 50.04 H new ATOM 511 N SER A 36 5.716 0.306 0.995 1.00 41.13 N ATOM 512 CA SER A 36 5.725 1.315 2.048 1.00 65.24 C ATOM 513 C SER A 36 4.300 1.526 2.539 1.00 33.42 C ATOM 514 O SER A 36 3.347 1.444 1.761 1.00 74.43 O ATOM 515 CB SER A 36 6.389 2.597 1.539 1.00 72.51 C ATOM 516 OG SER A 36 7.795 2.401 1.558 1.00 50.25 O ATOM 0 H SER A 36 5.577 0.680 0.056 1.00 41.13 H new ATOM 0 HA SER A 36 6.318 0.984 2.901 1.00 65.24 H new ATOM 0 HB2 SER A 36 6.050 2.826 0.529 1.00 72.51 H new ATOM 0 HB3 SER A 36 6.114 3.444 2.168 1.00 72.51 H new ATOM 0 HG SER A 36 8.243 3.210 1.234 1.00 50.25 H new ATOM 521 N CYS A 37 4.149 1.803 3.838 1.00 53.04 N ATOM 522 CA CYS A 37 2.837 2.047 4.432 1.00 41.11 C ATOM 523 C CYS A 37 2.136 3.234 3.769 1.00 64.31 C ATOM 524 O CYS A 37 0.910 3.219 3.655 1.00 4.20 O ATOM 525 CB CYS A 37 2.959 2.274 5.939 1.00 21.31 C ATOM 526 SG CYS A 37 3.664 0.797 6.713 1.00 24.54 S ATOM 0 H CYS A 37 4.924 1.863 4.498 1.00 53.04 H new ATOM 0 HA CYS A 37 2.228 1.159 4.261 1.00 41.11 H new ATOM 0 HB2 CYS A 37 3.591 3.139 6.138 1.00 21.31 H new ATOM 0 HB3 CYS A 37 1.980 2.490 6.366 1.00 21.31 H new ATOM 0 HG CYS A 37 4.343 1.141 7.767 1.00 24.54 H new ATOM 531 N GLU A 38 2.893 4.233 3.306 1.00 63.53 N ATOM 532 CA GLU A 38 2.335 5.285 2.487 1.00 51.13 C ATOM 533 C GLU A 38 1.791 4.738 1.183 1.00 61.54 C ATOM 534 O GLU A 38 0.616 4.964 0.923 1.00 3.42 O ATOM 535 CB GLU A 38 3.358 6.385 2.217 1.00 65.24 C ATOM 536 CG GLU A 38 3.179 7.492 3.250 1.00 21.53 C ATOM 537 CD GLU A 38 3.899 8.754 2.815 1.00 31.53 C ATOM 538 OE1 GLU A 38 5.149 8.727 2.797 1.00 23.54 O ATOM 539 OE2 GLU A 38 3.204 9.736 2.471 1.00 25.41 O ATOM 0 H GLU A 38 3.892 4.325 3.490 1.00 63.53 H new ATOM 0 HA GLU A 38 1.507 5.722 3.046 1.00 51.13 H new ATOM 0 HB2 GLU A 38 4.369 5.981 2.270 1.00 65.24 H new ATOM 0 HB3 GLU A 38 3.226 6.783 1.211 1.00 65.24 H new ATOM 0 HG2 GLU A 38 2.118 7.701 3.386 1.00 21.53 H new ATOM 0 HG3 GLU A 38 3.565 7.162 4.215 1.00 21.53 H new ATOM 544 N LEU A 39 2.593 4.040 0.363 1.00 25.13 N ATOM 545 CA LEU A 39 2.114 3.628 -0.957 1.00 70.42 C ATOM 546 C LEU A 39 0.898 2.697 -0.828 1.00 4.21 C ATOM 547 O LEU A 39 -0.044 2.782 -1.607 1.00 53.15 O ATOM 548 CB LEU A 39 3.246 3.080 -1.858 1.00 14.14 C ATOM 549 CG LEU A 39 2.895 2.994 -3.371 1.00 52.43 C ATOM 550 CD1 LEU A 39 2.317 1.639 -3.765 1.00 64.44 C ATOM 551 CD2 LEU A 39 2.123 4.197 -3.873 1.00 32.53 C ATOM 0 H LEU A 39 3.548 3.758 0.585 1.00 25.13 H new ATOM 0 HA LEU A 39 1.764 4.515 -1.485 1.00 70.42 H new ATOM 0 HB2 LEU A 39 4.124 3.714 -1.739 1.00 14.14 H new ATOM 0 HB3 LEU A 39 3.521 2.086 -1.507 1.00 14.14 H new ATOM 0 HG LEU A 39 3.838 3.050 -3.915 1.00 52.43 H new ATOM 0 HD11 LEU A 39 2.091 1.636 -4.831 1.00 64.44 H new ATOM 0 HD12 LEU A 39 3.043 0.856 -3.546 1.00 64.44 H new ATOM 0 HD13 LEU A 39 1.403 1.455 -3.200 1.00 64.44 H new ATOM 0 HD21 LEU A 39 1.909 4.075 -4.935 1.00 32.53 H new ATOM 0 HD22 LEU A 39 1.186 4.284 -3.322 1.00 32.53 H new ATOM 0 HD23 LEU A 39 2.717 5.099 -3.724 1.00 32.53 H new ATOM 562 N LEU A 40 0.842 1.891 0.236 1.00 44.45 N ATOM 563 CA LEU A 40 -0.346 1.120 0.588 1.00 1.32 C ATOM 564 C LEU A 40 -1.574 2.027 0.780 1.00 13.32 C ATOM 565 O LEU A 40 -2.608 1.775 0.158 1.00 30.41 O ATOM 566 CB LEU A 40 -0.051 0.266 1.837 1.00 53.13 C ATOM 567 CG LEU A 40 0.846 -0.947 1.518 1.00 61.44 C ATOM 568 CD1 LEU A 40 1.558 -1.471 2.775 1.00 54.21 C ATOM 569 CD2 LEU A 40 0.037 -2.072 0.858 1.00 1.00 C ATOM 0 H LEU A 40 1.624 1.757 0.877 1.00 44.45 H new ATOM 0 HA LEU A 40 -0.592 0.450 -0.236 1.00 1.32 H new ATOM 0 HB2 LEU A 40 0.434 0.885 2.592 1.00 53.13 H new ATOM 0 HB3 LEU A 40 -0.990 -0.082 2.266 1.00 53.13 H new ATOM 0 HG LEU A 40 1.608 -0.608 0.816 1.00 61.44 H new ATOM 0 HD11 LEU A 40 2.181 -2.326 2.511 1.00 54.21 H new ATOM 0 HD12 LEU A 40 2.183 -0.683 3.195 1.00 54.21 H new ATOM 0 HD13 LEU A 40 0.816 -1.777 3.513 1.00 54.21 H new ATOM 0 HD21 LEU A 40 0.694 -2.915 0.644 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -0.757 -2.393 1.532 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.401 -1.708 -0.071 1.00 1.00 H new ATOM 580 N ARG A 41 -1.503 3.049 1.643 1.00 33.40 N ATOM 581 CA ARG A 41 -2.662 3.878 2.003 1.00 4.14 C ATOM 582 C ARG A 41 -3.010 4.922 0.940 1.00 61.51 C ATOM 583 O ARG A 41 -4.181 5.211 0.737 1.00 3.22 O ATOM 584 CB ARG A 41 -2.380 4.533 3.370 1.00 25.24 C ATOM 585 CG ARG A 41 -3.619 5.181 4.013 1.00 33.12 C ATOM 586 CD ARG A 41 -3.722 6.673 3.682 1.00 11.11 C ATOM 587 NE ARG A 41 -4.908 7.305 4.274 1.00 12.41 N ATOM 588 CZ ARG A 41 -5.286 8.570 4.069 1.00 52.15 C ATOM 589 NH1 ARG A 41 -4.548 9.380 3.304 1.00 71.13 N ATOM 590 NH2 ARG A 41 -6.386 9.025 4.648 1.00 72.25 N ATOM 0 H ARG A 41 -0.640 3.325 2.112 1.00 33.40 H new ATOM 0 HA ARG A 41 -3.541 3.236 2.066 1.00 4.14 H new ATOM 0 HB2 ARG A 41 -1.982 3.779 4.049 1.00 25.24 H new ATOM 0 HB3 ARG A 41 -1.607 5.291 3.247 1.00 25.24 H new ATOM 0 HG2 ARG A 41 -4.517 4.670 3.666 1.00 33.12 H new ATOM 0 HG3 ARG A 41 -3.576 5.051 5.094 1.00 33.12 H new ATOM 0 HD2 ARG A 41 -2.827 7.183 4.039 1.00 11.11 H new ATOM 0 HD3 ARG A 41 -3.750 6.800 2.600 1.00 11.11 H new ATOM 0 HE ARG A 41 -5.488 6.734 4.889 1.00 12.41 H new ATOM 0 HH11 ARG A 41 -3.691 9.033 2.873 1.00 71.13 H new ATOM 0 HH12 ARG A 41 -4.842 10.345 3.151 1.00 71.13 H new ATOM 0 HH21 ARG A 41 -6.939 8.411 5.246 1.00 72.25 H new ATOM 0 HH22 ARG A 41 -6.681 9.990 4.496 1.00 72.25 H new ATOM 601 N VAL A 42 -2.018 5.534 0.296 1.00 3.22 N ATOM 602 CA VAL A 42 -2.214 6.559 -0.732 1.00 22.41 C ATOM 603 C VAL A 42 -2.943 5.961 -1.951 1.00 70.44 C ATOM 604 O VAL A 42 -3.636 6.696 -2.654 1.00 54.05 O ATOM 605 CB VAL A 42 -0.824 7.164 -1.060 1.00 22.54 C ATOM 606 CG1 VAL A 42 -0.057 6.327 -2.076 1.00 73.44 C ATOM 607 CG2 VAL A 42 -0.852 8.617 -1.525 1.00 65.22 C ATOM 0 H VAL A 42 -1.035 5.328 0.476 1.00 3.22 H new ATOM 0 HA VAL A 42 -2.858 7.366 -0.384 1.00 22.41 H new ATOM 0 HB VAL A 42 -0.306 7.148 -0.101 1.00 22.54 H new ATOM 0 HG11 VAL A 42 0.910 6.790 -2.274 1.00 73.44 H new ATOM 0 HG12 VAL A 42 0.096 5.323 -1.679 1.00 73.44 H new ATOM 0 HG13 VAL A 42 -0.627 6.268 -3.003 1.00 73.44 H new ATOM 0 HG21 VAL A 42 0.164 8.953 -1.731 1.00 65.22 H new ATOM 0 HG22 VAL A 42 -1.451 8.697 -2.432 1.00 65.22 H new ATOM 0 HG23 VAL A 42 -1.289 9.240 -0.745 1.00 65.22 H new ATOM 617 N TYR A 43 -2.804 4.645 -2.168 1.00 61.55 N ATOM 618 CA TYR A 43 -3.173 3.921 -3.378 1.00 51.11 C ATOM 619 C TYR A 43 -4.250 2.873 -3.068 1.00 65.45 C ATOM 620 O TYR A 43 -4.246 1.782 -3.644 1.00 33.11 O ATOM 621 CB TYR A 43 -1.898 3.351 -4.045 1.00 41.34 C ATOM 622 CG TYR A 43 -1.870 3.516 -5.553 1.00 62.44 C ATOM 623 CD1 TYR A 43 -3.019 3.240 -6.321 1.00 13.32 C ATOM 624 CD2 TYR A 43 -0.722 4.049 -6.176 1.00 70.43 C ATOM 625 CE1 TYR A 43 -3.093 3.643 -7.661 1.00 12.30 C ATOM 626 CE2 TYR A 43 -0.826 4.534 -7.497 1.00 4.11 C ATOM 627 CZ TYR A 43 -2.013 4.336 -8.241 1.00 54.43 C ATOM 628 OH TYR A 43 -2.142 4.807 -9.511 1.00 11.41 O ATOM 0 H TYR A 43 -2.408 4.028 -1.459 1.00 61.55 H new ATOM 0 HA TYR A 43 -3.627 4.593 -4.106 1.00 51.11 H new ATOM 0 HB2 TYR A 43 -1.025 3.844 -3.619 1.00 41.34 H new ATOM 0 HB3 TYR A 43 -1.815 2.291 -3.803 1.00 41.34 H new ATOM 0 HD1 TYR A 43 -3.849 2.714 -5.873 1.00 13.32 H new ATOM 0 HD2 TYR A 43 0.221 4.085 -5.651 1.00 70.43 H new ATOM 0 HE1 TYR A 43 -3.974 3.423 -8.246 1.00 12.30 H new ATOM 0 HE2 TYR A 43 0.006 5.060 -7.943 1.00 4.11 H new ATOM 0 HH TYR A 43 -1.432 5.458 -9.692 1.00 11.41 H new ATOM 637 N SER A 44 -5.148 3.168 -2.122 1.00 12.42 N ATOM 638 CA SER A 44 -6.247 2.300 -1.720 1.00 10.34 C ATOM 639 C SER A 44 -7.067 1.809 -2.929 1.00 13.00 C ATOM 640 O SER A 44 -7.268 2.569 -3.887 1.00 42.21 O ATOM 641 CB SER A 44 -7.121 3.055 -0.713 1.00 10.01 C ATOM 642 OG SER A 44 -6.411 3.220 0.500 1.00 62.21 O ATOM 0 H SER A 44 -5.125 4.045 -1.602 1.00 12.42 H new ATOM 0 HA SER A 44 -5.842 1.404 -1.251 1.00 10.34 H new ATOM 0 HB2 SER A 44 -7.402 4.028 -1.117 1.00 10.01 H new ATOM 0 HB3 SER A 44 -8.045 2.505 -0.534 1.00 10.01 H new ATOM 0 HG SER A 44 -5.713 3.898 0.381 1.00 62.21 H new ATOM 647 N PRO A 45 -7.583 0.566 -2.900 1.00 44.32 N ATOM 648 CA PRO A 45 -8.357 -0.029 -3.989 1.00 64.55 C ATOM 649 C PRO A 45 -9.808 0.465 -4.035 1.00 12.03 C ATOM 650 O PRO A 45 -10.522 0.218 -5.012 1.00 54.24 O ATOM 651 CB PRO A 45 -8.295 -1.532 -3.733 1.00 22.12 C ATOM 652 CG PRO A 45 -8.241 -1.625 -2.211 1.00 32.30 C ATOM 653 CD PRO A 45 -7.459 -0.378 -1.800 1.00 50.03 C ATOM 0 HA PRO A 45 -7.944 0.252 -4.958 1.00 64.55 H new ATOM 0 HB2 PRO A 45 -9.167 -2.046 -4.137 1.00 22.12 H new ATOM 0 HB3 PRO A 45 -7.417 -1.983 -4.195 1.00 22.12 H new ATOM 0 HG2 PRO A 45 -9.240 -1.633 -1.775 1.00 32.30 H new ATOM 0 HG3 PRO A 45 -7.742 -2.537 -1.883 1.00 32.30 H new ATOM 0 HD2 PRO A 45 -7.859 0.045 -0.878 1.00 50.03 H new ATOM 0 HD3 PRO A 45 -6.413 -0.620 -1.612 1.00 50.03 H new ATOM 658 N SER A 46 -10.253 1.165 -2.993 1.00 62.34 N ATOM 659 CA SER A 46 -11.543 1.809 -2.873 1.00 25.01 C ATOM 660 C SER A 46 -11.234 3.192 -2.326 1.00 74.44 C ATOM 661 O SER A 46 -10.650 3.305 -1.246 1.00 5.22 O ATOM 662 CB SER A 46 -12.456 0.990 -1.947 1.00 71.34 C ATOM 663 OG SER A 46 -13.662 1.683 -1.679 1.00 71.33 O ATOM 0 H SER A 46 -9.679 1.301 -2.161 1.00 62.34 H new ATOM 0 HA SER A 46 -12.081 1.882 -3.818 1.00 25.01 H new ATOM 0 HB2 SER A 46 -12.680 0.029 -2.409 1.00 71.34 H new ATOM 0 HB3 SER A 46 -11.937 0.781 -1.011 1.00 71.34 H new ATOM 0 HG SER A 46 -14.227 1.141 -1.089 1.00 71.33 H new ATOM 777 N VAL A 56 -8.624 9.799 -5.572 1.00 45.34 N ATOM 778 CA VAL A 56 -8.419 11.200 -5.222 1.00 74.44 C ATOM 779 C VAL A 56 -6.929 11.507 -5.048 1.00 12.31 C ATOM 780 O VAL A 56 -6.103 10.611 -4.847 1.00 45.05 O ATOM 781 CB VAL A 56 -9.232 11.584 -3.967 1.00 65.35 C ATOM 782 CG1 VAL A 56 -10.687 11.129 -4.066 1.00 41.23 C ATOM 783 CG2 VAL A 56 -8.616 11.046 -2.674 1.00 42.22 C ATOM 0 HA VAL A 56 -8.786 11.813 -6.045 1.00 74.44 H new ATOM 0 HB VAL A 56 -9.204 12.673 -3.927 1.00 65.35 H new ATOM 0 HG11 VAL A 56 -11.222 11.420 -3.162 1.00 41.23 H new ATOM 0 HG12 VAL A 56 -11.156 11.597 -4.931 1.00 41.23 H new ATOM 0 HG13 VAL A 56 -10.723 10.045 -4.176 1.00 41.23 H new ATOM 0 HG21 VAL A 56 -9.230 11.347 -1.825 1.00 42.22 H new ATOM 0 HG22 VAL A 56 -8.568 9.958 -2.719 1.00 42.22 H new ATOM 0 HG23 VAL A 56 -7.610 11.449 -2.555 1.00 42.22 H new ATOM 793 N LEU A 57 -6.584 12.792 -5.070 1.00 25.50 N ATOM 794 CA LEU A 57 -5.220 13.254 -4.836 1.00 41.34 C ATOM 795 C LEU A 57 -4.897 13.203 -3.334 1.00 63.52 C ATOM 796 O LEU A 57 -5.485 13.968 -2.562 1.00 34.34 O ATOM 797 CB LEU A 57 -5.087 14.671 -5.415 1.00 71.15 C ATOM 798 CG LEU A 57 -3.654 15.151 -5.709 1.00 3.20 C ATOM 799 CD1 LEU A 57 -2.793 15.390 -4.464 1.00 10.13 C ATOM 800 CD2 LEU A 57 -2.913 14.247 -6.696 1.00 32.12 C ATOM 0 H LEU A 57 -7.247 13.545 -5.252 1.00 25.50 H new ATOM 0 HA LEU A 57 -4.498 12.606 -5.334 1.00 41.34 H new ATOM 0 HB2 LEU A 57 -5.661 14.719 -6.340 1.00 71.15 H new ATOM 0 HB3 LEU A 57 -5.547 15.371 -4.718 1.00 71.15 H new ATOM 0 HG LEU A 57 -3.804 16.124 -6.176 1.00 3.20 H new ATOM 0 HD11 LEU A 57 -1.801 15.726 -4.767 1.00 10.13 H new ATOM 0 HD12 LEU A 57 -3.259 16.152 -3.840 1.00 10.13 H new ATOM 0 HD13 LEU A 57 -2.705 14.462 -3.899 1.00 10.13 H new ATOM 0 HD21 LEU A 57 -1.909 14.637 -6.863 1.00 32.12 H new ATOM 0 HD22 LEU A 57 -2.847 13.239 -6.287 1.00 32.12 H new ATOM 0 HD23 LEU A 57 -3.454 14.220 -7.642 1.00 32.12 H new ATOM 811 N VAL A 58 -4.021 12.282 -2.923 1.00 42.15 N ATOM 812 CA VAL A 58 -3.707 12.038 -1.521 1.00 62.24 C ATOM 813 C VAL A 58 -2.281 12.513 -1.243 1.00 73.24 C ATOM 814 O VAL A 58 -1.323 12.072 -1.881 1.00 71.25 O ATOM 815 CB VAL A 58 -3.945 10.562 -1.149 1.00 13.43 C ATOM 816 CG1 VAL A 58 -3.671 10.316 0.337 1.00 22.52 C ATOM 817 CG2 VAL A 58 -5.396 10.135 -1.381 1.00 25.33 C ATOM 0 H VAL A 58 -3.506 11.680 -3.566 1.00 42.15 H new ATOM 0 HA VAL A 58 -4.378 12.610 -0.879 1.00 62.24 H new ATOM 0 HB VAL A 58 -3.268 9.991 -1.785 1.00 13.43 H new ATOM 0 HG11 VAL A 58 -3.847 9.266 0.571 1.00 22.52 H new ATOM 0 HG12 VAL A 58 -2.635 10.569 0.563 1.00 22.52 H new ATOM 0 HG13 VAL A 58 -4.335 10.938 0.937 1.00 22.52 H new ATOM 0 HG21 VAL A 58 -5.516 9.087 -1.105 1.00 25.33 H new ATOM 0 HG22 VAL A 58 -6.058 10.749 -0.770 1.00 25.33 H new ATOM 0 HG23 VAL A 58 -5.649 10.264 -2.433 1.00 25.33 H new ATOM 827 N THR A 59 -2.169 13.409 -0.266 1.00 3.42 N ATOM 828 CA THR A 59 -0.948 14.019 0.250 1.00 65.23 C ATOM 829 C THR A 59 -0.035 13.011 0.965 1.00 44.15 C ATOM 830 O THR A 59 -0.401 11.847 1.155 1.00 41.02 O ATOM 831 CB THR A 59 -1.377 15.153 1.203 1.00 65.11 C ATOM 832 OG1 THR A 59 -2.508 14.782 1.984 1.00 4.12 O ATOM 833 CG2 THR A 59 -1.761 16.392 0.395 1.00 43.22 C ATOM 0 H THR A 59 -2.995 13.754 0.223 1.00 3.42 H new ATOM 0 HA THR A 59 -0.356 14.404 -0.580 1.00 65.23 H new ATOM 0 HB THR A 59 -0.532 15.357 1.861 1.00 65.11 H new ATOM 0 HG1 THR A 59 -2.752 15.522 2.578 1.00 4.12 H new ATOM 0 HG21 THR A 59 -2.063 17.190 1.074 1.00 43.22 H new ATOM 0 HG22 THR A 59 -0.905 16.722 -0.194 1.00 43.22 H new ATOM 0 HG23 THR A 59 -2.589 16.150 -0.271 1.00 43.22 H new ATOM 841 N HIS A 60 1.155 13.469 1.370 1.00 13.34 N ATOM 842 CA HIS A 60 2.063 12.669 2.174 1.00 34.11 C ATOM 843 C HIS A 60 1.486 12.397 3.567 1.00 1.11 C ATOM 844 O HIS A 60 0.539 13.047 4.025 1.00 10.30 O ATOM 845 CB HIS A 60 3.452 13.317 2.236 1.00 63.44 C ATOM 846 CG HIS A 60 4.101 13.491 0.884 1.00 61.11 C ATOM 847 ND1 HIS A 60 4.190 12.545 -0.113 1.00 51.12 N ATOM 848 CD2 HIS A 60 4.763 14.605 0.452 1.00 23.23 C ATOM 849 CE1 HIS A 60 4.911 13.073 -1.116 1.00 44.23 C ATOM 850 NE2 HIS A 60 5.274 14.334 -0.821 1.00 70.53 N ATOM 0 H HIS A 60 1.507 14.400 1.147 1.00 13.34 H new ATOM 0 HA HIS A 60 2.180 11.699 1.691 1.00 34.11 H new ATOM 0 HB2 HIS A 60 3.367 14.292 2.717 1.00 63.44 H new ATOM 0 HB3 HIS A 60 4.100 12.707 2.865 1.00 63.44 H new ATOM 0 HD1 HIS A 60 3.782 11.611 -0.093 1.00 51.12 H new ATOM 0 HD2 HIS A 60 4.872 15.531 0.997 1.00 23.23 H new ATOM 0 HE1 HIS A 60 5.164 12.557 -2.031 1.00 44.23 H new ATOM 857 N LYS A 61 2.116 11.477 4.289 1.00 13.44 N ATOM 858 CA LYS A 61 1.726 11.028 5.623 1.00 70.43 C ATOM 859 C LYS A 61 2.997 10.917 6.455 1.00 13.34 C ATOM 860 O LYS A 61 3.910 10.160 6.121 1.00 32.22 O ATOM 861 CB LYS A 61 1.054 9.649 5.543 1.00 62.42 C ATOM 862 CG LYS A 61 -0.165 9.470 4.626 1.00 21.21 C ATOM 863 CD LYS A 61 -1.515 9.802 5.257 1.00 13.30 C ATOM 864 CE LYS A 61 -1.737 11.311 5.354 1.00 64.25 C ATOM 865 NZ LYS A 61 -3.108 11.646 5.793 1.00 63.45 N ATOM 0 H LYS A 61 2.951 11.002 3.946 1.00 13.44 H new ATOM 0 HA LYS A 61 1.022 11.731 6.068 1.00 70.43 H new ATOM 0 HB2 LYS A 61 1.811 8.931 5.228 1.00 62.42 H new ATOM 0 HB3 LYS A 61 0.751 9.371 6.552 1.00 62.42 H new ATOM 0 HG2 LYS A 61 -0.031 10.098 3.745 1.00 21.21 H new ATOM 0 HG3 LYS A 61 -0.189 8.437 4.280 1.00 21.21 H new ATOM 0 HD2 LYS A 61 -2.313 9.354 4.665 1.00 13.30 H new ATOM 0 HD3 LYS A 61 -1.570 9.361 6.252 1.00 13.30 H new ATOM 0 HE2 LYS A 61 -1.019 11.738 6.054 1.00 64.25 H new ATOM 0 HE3 LYS A 61 -1.546 11.768 4.383 1.00 64.25 H new ATOM 0 HZ1 LYS A 61 -3.213 12.679 5.845 1.00 63.45 H new ATOM 0 HZ2 LYS A 61 -3.794 11.262 5.112 1.00 63.45 H new ATOM 0 HZ3 LYS A 61 -3.283 11.233 6.731 1.00 63.45 H new ATOM 875 N LYS A 62 2.993 11.652 7.566 1.00 11.03 N ATOM 876 CA LYS A 62 4.127 11.937 8.435 1.00 71.34 C ATOM 877 C LYS A 62 4.976 10.698 8.736 1.00 33.34 C ATOM 878 O LYS A 62 6.199 10.756 8.577 1.00 43.03 O ATOM 879 CB LYS A 62 3.665 12.686 9.711 1.00 14.11 C ATOM 880 CG LYS A 62 2.326 12.192 10.286 1.00 5.23 C ATOM 881 CD LYS A 62 1.090 12.994 9.831 1.00 72.42 C ATOM 882 CE LYS A 62 -0.086 12.029 9.598 1.00 10.04 C ATOM 883 NZ LYS A 62 -1.407 12.651 9.839 1.00 32.41 N ATOM 0 H LYS A 62 2.137 12.093 7.903 1.00 11.03 H new ATOM 0 HA LYS A 62 4.796 12.605 7.893 1.00 71.34 H new ATOM 0 HB2 LYS A 62 4.435 12.585 10.476 1.00 14.11 H new ATOM 0 HB3 LYS A 62 3.579 13.749 9.483 1.00 14.11 H new ATOM 0 HG2 LYS A 62 2.188 11.148 10.003 1.00 5.23 H new ATOM 0 HG3 LYS A 62 2.381 12.223 11.374 1.00 5.23 H new ATOM 0 HD2 LYS A 62 0.824 13.734 10.586 1.00 72.42 H new ATOM 0 HD3 LYS A 62 1.314 13.540 8.915 1.00 72.42 H new ATOM 0 HE2 LYS A 62 -0.047 11.660 8.573 1.00 10.04 H new ATOM 0 HE3 LYS A 62 0.026 11.165 10.253 1.00 10.04 H new ATOM 0 HZ1 LYS A 62 -2.157 11.952 9.666 1.00 32.41 H new ATOM 0 HZ2 LYS A 62 -1.461 12.980 10.824 1.00 32.41 H new ATOM 0 HZ3 LYS A 62 -1.532 13.459 9.197 1.00 32.41 H new ATOM 893 N ASN A 63 4.385 9.607 9.214 1.00 4.04 N ATOM 894 CA ASN A 63 5.059 8.342 9.503 1.00 11.00 C ATOM 895 C ASN A 63 3.963 7.324 9.780 1.00 42.01 C ATOM 896 O ASN A 63 3.556 7.141 10.928 1.00 45.45 O ATOM 897 CB ASN A 63 6.084 8.424 10.660 1.00 3.03 C ATOM 898 CG ASN A 63 5.805 9.512 11.690 1.00 61.25 C ATOM 899 OD1 ASN A 63 5.091 9.308 12.664 1.00 14.33 O ATOM 900 ND2 ASN A 63 6.349 10.698 11.460 1.00 50.11 N ATOM 0 H ASN A 63 3.386 9.577 9.419 1.00 4.04 H new ATOM 0 HA ASN A 63 5.667 8.051 8.646 1.00 11.00 H new ATOM 0 HB2 ASN A 63 6.112 7.461 11.169 1.00 3.03 H new ATOM 0 HB3 ASN A 63 7.075 8.590 10.237 1.00 3.03 H new ATOM 0 HD21 ASN A 63 6.177 11.471 12.103 1.00 50.11 H new ATOM 0 HD22 ASN A 63 6.940 10.838 10.640 1.00 50.11 H new ATOM 906 N VAL A 64 3.409 6.714 8.733 1.00 50.35 N ATOM 907 CA VAL A 64 2.381 5.684 8.889 1.00 13.40 C ATOM 908 C VAL A 64 3.046 4.439 9.478 1.00 43.44 C ATOM 909 O VAL A 64 4.244 4.248 9.295 1.00 12.44 O ATOM 910 CB VAL A 64 1.683 5.395 7.538 1.00 5.04 C ATOM 911 CG1 VAL A 64 0.446 4.491 7.668 1.00 72.52 C ATOM 912 CG2 VAL A 64 1.216 6.684 6.859 1.00 22.32 C ATOM 0 H VAL A 64 3.656 6.916 7.764 1.00 50.35 H new ATOM 0 HA VAL A 64 1.598 6.023 9.567 1.00 13.40 H new ATOM 0 HB VAL A 64 2.443 4.886 6.945 1.00 5.04 H new ATOM 0 HG11 VAL A 64 0.007 4.331 6.683 1.00 72.52 H new ATOM 0 HG12 VAL A 64 0.739 3.532 8.095 1.00 72.52 H new ATOM 0 HG13 VAL A 64 -0.287 4.969 8.318 1.00 72.52 H new ATOM 0 HG21 VAL A 64 0.731 6.442 5.913 1.00 22.32 H new ATOM 0 HG22 VAL A 64 0.509 7.201 7.508 1.00 22.32 H new ATOM 0 HG23 VAL A 64 2.075 7.328 6.671 1.00 22.32 H new ATOM 922 N ASN A 65 2.290 3.544 10.109 1.00 10.22 N ATOM 923 CA ASN A 65 2.678 2.154 10.343 1.00 25.14 C ATOM 924 C ASN A 65 1.453 1.268 10.147 1.00 34.54 C ATOM 925 O ASN A 65 0.335 1.762 9.985 1.00 22.13 O ATOM 926 CB ASN A 65 3.294 1.976 11.747 1.00 62.42 C ATOM 927 CG ASN A 65 4.715 2.521 11.824 1.00 54.44 C ATOM 928 OD1 ASN A 65 4.976 3.529 12.473 1.00 11.03 O ATOM 929 ND2 ASN A 65 5.674 1.862 11.197 1.00 32.41 N ATOM 0 H ASN A 65 1.368 3.770 10.481 1.00 10.22 H new ATOM 0 HA ASN A 65 3.448 1.862 9.629 1.00 25.14 H new ATOM 0 HB2 ASN A 65 2.671 2.485 12.483 1.00 62.42 H new ATOM 0 HB3 ASN A 65 3.297 0.918 12.009 1.00 62.42 H new ATOM 0 HD21 ASN A 65 6.638 2.191 11.251 1.00 32.41 H new ATOM 0 HD22 ASN A 65 5.450 1.025 10.659 1.00 32.41 H new ATOM 935 N ILE A 66 1.655 -0.048 10.170 1.00 71.55 N ATOM 936 CA ILE A 66 0.595 -1.047 10.225 1.00 71.31 C ATOM 937 C ILE A 66 0.558 -1.533 11.658 1.00 65.34 C ATOM 938 O ILE A 66 1.605 -1.810 12.247 1.00 70.31 O ATOM 939 CB ILE A 66 0.894 -2.213 9.261 1.00 22.22 C ATOM 940 CG1 ILE A 66 1.013 -1.721 7.812 1.00 31.10 C ATOM 941 CG2 ILE A 66 -0.171 -3.321 9.314 1.00 61.54 C ATOM 942 CD1 ILE A 66 -0.135 -0.853 7.280 1.00 61.21 C ATOM 0 H ILE A 66 2.589 -0.458 10.150 1.00 71.55 H new ATOM 0 HA ILE A 66 -0.364 -0.628 9.921 1.00 71.31 H new ATOM 0 HB ILE A 66 1.844 -2.631 9.595 1.00 22.22 H new ATOM 0 HG12 ILE A 66 1.939 -1.153 7.721 1.00 31.10 H new ATOM 0 HG13 ILE A 66 1.109 -2.592 7.164 1.00 31.10 H new ATOM 0 HG21 ILE A 66 0.094 -4.114 8.614 1.00 61.54 H new ATOM 0 HG22 ILE A 66 -0.221 -3.729 10.323 1.00 61.54 H new ATOM 0 HG23 ILE A 66 -1.142 -2.906 9.042 1.00 61.54 H new ATOM 0 HD11 ILE A 66 0.070 -0.572 6.247 1.00 61.21 H new ATOM 0 HD12 ILE A 66 -1.067 -1.416 7.324 1.00 61.21 H new ATOM 0 HD13 ILE A 66 -0.224 0.046 7.890 1.00 61.21 H new ATOM 953 N ASN A 67 -0.646 -1.655 12.189 1.00 74.15 N ATOM 954 CA ASN A 67 -0.932 -2.338 13.433 1.00 1.44 C ATOM 955 C ASN A 67 -0.867 -3.828 13.162 1.00 65.04 C ATOM 956 O ASN A 67 -0.054 -4.542 13.759 1.00 50.31 O ATOM 957 CB ASN A 67 -2.318 -1.918 13.959 1.00 21.32 C ATOM 958 CG ASN A 67 -2.191 -0.714 14.879 1.00 74.33 C ATOM 959 OD1 ASN A 67 -2.866 0.387 14.608 1.00 41.53 O flip ATOM 960 ND2 ASN A 67 -1.421 -0.742 15.832 1.00 34.01 N flip ATOM 0 H ASN A 67 -1.479 -1.266 11.748 1.00 74.15 H new ATOM 0 HA ASN A 67 -0.205 -2.075 14.201 1.00 1.44 H new ATOM 0 HB2 ASN A 67 -2.974 -1.677 13.123 1.00 21.32 H new ATOM 0 HB3 ASN A 67 -2.777 -2.748 14.496 1.00 21.32 H new ATOM 0 HD21 ASN A 67 -0.899 -1.593 16.041 1.00 34.01 H new ATOM 0 HD22 ASN A 67 -1.302 0.086 16.416 1.00 34.01 H new ATOM 966 N ALA A 68 -1.698 -4.300 12.228 1.00 42.11 N ATOM 967 CA ALA A 68 -1.897 -5.717 12.004 1.00 4.50 C ATOM 968 C ALA A 68 -2.360 -5.990 10.578 1.00 12.50 C ATOM 969 O ALA A 68 -2.724 -5.087 9.827 1.00 70.34 O ATOM 970 CB ALA A 68 -2.940 -6.214 13.005 1.00 25.03 C ATOM 0 H ALA A 68 -2.247 -3.702 11.611 1.00 42.11 H new ATOM 0 HA ALA A 68 -0.953 -6.244 12.144 1.00 4.50 H new ATOM 0 HB1 ALA A 68 -3.108 -7.281 12.856 1.00 25.03 H new ATOM 0 HB2 ALA A 68 -2.582 -6.041 14.020 1.00 25.03 H new ATOM 0 HB3 ALA A 68 -3.875 -5.675 12.854 1.00 25.03 H new ATOM 976 N ILE A 69 -2.360 -7.273 10.251 1.00 13.20 N ATOM 977 CA ILE A 69 -2.874 -7.903 9.054 1.00 72.11 C ATOM 978 C ILE A 69 -4.066 -8.684 9.573 1.00 14.51 C ATOM 979 O ILE A 69 -3.893 -9.456 10.523 1.00 50.12 O ATOM 980 CB ILE A 69 -1.767 -8.834 8.505 1.00 51.44 C ATOM 981 CG1 ILE A 69 -0.504 -8.036 8.090 1.00 63.32 C ATOM 982 CG2 ILE A 69 -2.187 -9.797 7.380 1.00 53.21 C ATOM 983 CD1 ILE A 69 0.630 -8.123 9.118 1.00 32.54 C ATOM 0 H ILE A 69 -1.959 -7.965 10.884 1.00 13.20 H new ATOM 0 HA ILE A 69 -3.156 -7.228 8.246 1.00 72.11 H new ATOM 0 HB ILE A 69 -1.538 -9.480 9.352 1.00 51.44 H new ATOM 0 HG12 ILE A 69 -0.145 -8.409 7.131 1.00 63.32 H new ATOM 0 HG13 ILE A 69 -0.774 -6.990 7.945 1.00 63.32 H new ATOM 0 HG21 ILE A 69 -1.330 -10.398 7.076 1.00 53.21 H new ATOM 0 HG22 ILE A 69 -2.980 -10.452 7.739 1.00 53.21 H new ATOM 0 HG23 ILE A 69 -2.549 -9.224 6.526 1.00 53.21 H new ATOM 0 HD11 ILE A 69 1.484 -7.543 8.768 1.00 32.54 H new ATOM 0 HD12 ILE A 69 0.287 -7.723 10.072 1.00 32.54 H new ATOM 0 HD13 ILE A 69 0.926 -9.164 9.246 1.00 32.54 H new ATOM 994 N THR A 70 -5.231 -8.531 8.952 1.00 73.12 N ATOM 995 CA THR A 70 -6.420 -9.240 9.401 1.00 11.15 C ATOM 996 C THR A 70 -6.965 -9.964 8.188 1.00 45.13 C ATOM 997 O THR A 70 -7.620 -9.328 7.370 1.00 32.22 O ATOM 998 CB THR A 70 -7.456 -8.315 10.057 1.00 11.31 C ATOM 999 OG1 THR A 70 -6.854 -7.434 10.983 1.00 31.32 O ATOM 1000 CG2 THR A 70 -8.536 -9.141 10.762 1.00 62.43 C ATOM 0 H THR A 70 -5.375 -7.927 8.143 1.00 73.12 H new ATOM 0 HA THR A 70 -6.168 -9.947 10.191 1.00 11.15 H new ATOM 0 HB THR A 70 -7.911 -7.720 9.265 1.00 11.31 H new ATOM 0 HG1 THR A 70 -7.540 -6.859 11.381 1.00 31.32 H new ATOM 0 HG21 THR A 70 -9.263 -8.472 11.222 1.00 62.43 H new ATOM 0 HG22 THR A 70 -9.039 -9.779 10.035 1.00 62.43 H new ATOM 0 HG23 THR A 70 -8.076 -9.761 11.531 1.00 62.43 H new ATOM 1008 N PRO A 71 -6.599 -11.232 7.982 1.00 50.24 N ATOM 1009 CA PRO A 71 -7.035 -11.994 6.828 1.00 65.43 C ATOM 1010 C PRO A 71 -8.540 -12.247 6.907 1.00 64.32 C ATOM 1011 O PRO A 71 -9.052 -12.714 7.926 1.00 73.43 O ATOM 1012 CB PRO A 71 -6.180 -13.261 6.858 1.00 12.34 C ATOM 1013 CG PRO A 71 -5.611 -13.377 8.269 1.00 30.35 C ATOM 1014 CD PRO A 71 -5.744 -12.000 8.869 1.00 13.31 C ATOM 0 HA PRO A 71 -6.898 -11.480 5.877 1.00 65.43 H new ATOM 0 HB2 PRO A 71 -6.779 -14.137 6.610 1.00 12.34 H new ATOM 0 HB3 PRO A 71 -5.378 -13.204 6.122 1.00 12.34 H new ATOM 0 HG2 PRO A 71 -6.159 -14.115 8.854 1.00 30.35 H new ATOM 0 HG3 PRO A 71 -4.569 -13.697 8.247 1.00 30.35 H new ATOM 0 HD2 PRO A 71 -6.175 -12.055 9.869 1.00 13.31 H new ATOM 0 HD3 PRO A 71 -4.767 -11.527 8.969 1.00 13.31 H new ATOM 1019 N VAL A 72 -9.241 -11.922 5.829 1.00 34.24 N ATOM 1020 CA VAL A 72 -10.672 -12.065 5.658 1.00 40.41 C ATOM 1021 C VAL A 72 -10.845 -12.968 4.436 1.00 4.11 C ATOM 1022 O VAL A 72 -10.517 -12.577 3.311 1.00 11.51 O ATOM 1023 CB VAL A 72 -11.323 -10.671 5.467 1.00 61.42 C ATOM 1024 CG1 VAL A 72 -12.852 -10.801 5.442 1.00 41.51 C ATOM 1025 CG2 VAL A 72 -10.948 -9.661 6.571 1.00 33.34 C ATOM 0 H VAL A 72 -8.793 -11.527 5.002 1.00 34.24 H new ATOM 0 HA VAL A 72 -11.163 -12.505 6.526 1.00 40.41 H new ATOM 0 HB VAL A 72 -10.939 -10.292 4.520 1.00 61.42 H new ATOM 0 HG11 VAL A 72 -13.299 -9.816 5.307 1.00 41.51 H new ATOM 0 HG12 VAL A 72 -13.149 -11.450 4.618 1.00 41.51 H new ATOM 0 HG13 VAL A 72 -13.196 -11.230 6.383 1.00 41.51 H new ATOM 0 HG21 VAL A 72 -11.438 -8.708 6.374 1.00 33.34 H new ATOM 0 HG22 VAL A 72 -11.273 -10.043 7.539 1.00 33.34 H new ATOM 0 HG23 VAL A 72 -9.868 -9.518 6.581 1.00 33.34 H new ATOM 1035 N GLY A 73 -11.346 -14.186 4.648 1.00 72.31 N ATOM 1036 CA GLY A 73 -11.855 -15.006 3.558 1.00 52.10 C ATOM 1037 C GLY A 73 -10.813 -15.802 2.774 1.00 74.13 C ATOM 1038 O GLY A 73 -11.187 -16.472 1.817 1.00 14.43 O ATOM 0 H GLY A 73 -11.408 -14.623 5.568 1.00 72.31 H new ATOM 0 HA2 GLY A 73 -12.585 -15.705 3.966 1.00 52.10 H new ATOM 0 HA3 GLY A 73 -12.388 -14.359 2.861 1.00 52.10 H new ATOM 1042 N ASN A 74 -9.536 -15.770 3.171 1.00 14.54 N ATOM 1043 CA ASN A 74 -8.369 -16.404 2.536 1.00 41.34 C ATOM 1044 C ASN A 74 -7.914 -15.725 1.237 1.00 11.24 C ATOM 1045 O ASN A 74 -6.903 -16.124 0.662 1.00 52.14 O ATOM 1046 CB ASN A 74 -8.497 -17.935 2.417 1.00 51.53 C ATOM 1047 CG ASN A 74 -7.915 -18.626 3.637 1.00 0.11 C ATOM 1048 OD1 ASN A 74 -6.879 -19.277 3.548 1.00 53.32 O ATOM 1049 ND2 ASN A 74 -8.521 -18.473 4.804 1.00 20.02 N ATOM 0 H ASN A 74 -9.267 -15.260 4.012 1.00 14.54 H new ATOM 0 HA ASN A 74 -7.549 -16.233 3.233 1.00 41.34 H new ATOM 0 HB2 ASN A 74 -9.546 -18.208 2.306 1.00 51.53 H new ATOM 0 HB3 ASN A 74 -7.982 -18.278 1.520 1.00 51.53 H new ATOM 0 HD21 ASN A 74 -8.127 -18.899 5.643 1.00 20.02 H new ATOM 0 HD22 ASN A 74 -9.382 -17.929 4.864 1.00 20.02 H new ATOM 1055 N TYR A 75 -8.586 -14.659 0.802 1.00 30.05 N ATOM 1056 CA TYR A 75 -8.315 -13.943 -0.440 1.00 31.03 C ATOM 1057 C TYR A 75 -7.800 -12.508 -0.235 1.00 53.31 C ATOM 1058 O TYR A 75 -7.486 -11.833 -1.215 1.00 70.40 O ATOM 1059 CB TYR A 75 -9.520 -14.055 -1.394 1.00 13.51 C ATOM 1060 CG TYR A 75 -10.935 -14.028 -0.825 1.00 31.14 C ATOM 1061 CD1 TYR A 75 -11.299 -13.221 0.272 1.00 44.52 C ATOM 1062 CD2 TYR A 75 -11.913 -14.845 -1.430 1.00 64.13 C ATOM 1063 CE1 TYR A 75 -12.627 -13.204 0.733 1.00 4.34 C ATOM 1064 CE2 TYR A 75 -13.233 -14.866 -0.949 1.00 75.44 C ATOM 1065 CZ TYR A 75 -13.594 -14.039 0.138 1.00 71.01 C ATOM 1066 OH TYR A 75 -14.856 -14.044 0.639 1.00 51.43 O ATOM 0 H TYR A 75 -9.363 -14.257 1.327 1.00 30.05 H new ATOM 0 HA TYR A 75 -7.473 -14.435 -0.926 1.00 31.03 H new ATOM 0 HB2 TYR A 75 -9.442 -13.241 -2.115 1.00 13.51 H new ATOM 0 HB3 TYR A 75 -9.410 -14.985 -1.951 1.00 13.51 H new ATOM 0 HD1 TYR A 75 -10.553 -12.612 0.761 1.00 44.52 H new ATOM 0 HD2 TYR A 75 -11.644 -15.463 -2.274 1.00 64.13 H new ATOM 0 HE1 TYR A 75 -12.907 -12.549 1.545 1.00 4.34 H new ATOM 0 HE2 TYR A 75 -13.968 -15.511 -1.408 1.00 75.44 H new ATOM 0 HH TYR A 75 -15.410 -14.668 0.125 1.00 51.43 H new ATOM 1075 N ALA A 76 -7.725 -12.013 1.005 1.00 71.12 N ATOM 1076 CA ALA A 76 -7.419 -10.628 1.349 1.00 44.14 C ATOM 1077 C ALA A 76 -7.253 -10.467 2.832 1.00 43.41 C ATOM 1078 O ALA A 76 -7.503 -11.371 3.627 1.00 43.31 O ATOM 1079 CB ALA A 76 -8.597 -9.746 0.917 1.00 63.00 C ATOM 0 H ALA A 76 -7.883 -12.594 1.828 1.00 71.12 H new ATOM 0 HA ALA A 76 -6.494 -10.344 0.847 1.00 44.14 H new ATOM 0 HB1 ALA A 76 -8.384 -8.707 1.167 1.00 63.00 H new ATOM 0 HB2 ALA A 76 -8.744 -9.837 -0.159 1.00 63.00 H new ATOM 0 HB3 ALA A 76 -9.501 -10.066 1.436 1.00 63.00 H new ATOM 1085 N VAL A 77 -6.819 -9.263 3.155 1.00 34.11 N ATOM 1086 CA VAL A 77 -6.426 -8.762 4.425 1.00 34.01 C ATOM 1087 C VAL A 77 -6.883 -7.326 4.569 1.00 23.31 C ATOM 1088 O VAL A 77 -6.917 -6.550 3.625 1.00 1.54 O ATOM 1089 CB VAL A 77 -4.913 -8.920 4.464 1.00 50.24 C ATOM 1090 CG1 VAL A 77 -4.219 -8.073 5.454 1.00 12.32 C ATOM 1091 CG2 VAL A 77 -4.460 -10.361 4.734 1.00 30.44 C ATOM 0 H VAL A 77 -6.730 -8.543 2.438 1.00 34.11 H new ATOM 0 HA VAL A 77 -6.876 -9.295 5.262 1.00 34.01 H new ATOM 0 HB VAL A 77 -4.633 -8.600 3.460 1.00 50.24 H new ATOM 0 HG11 VAL A 77 -3.146 -8.259 5.404 1.00 12.32 H new ATOM 0 HG12 VAL A 77 -4.416 -7.023 5.236 1.00 12.32 H new ATOM 0 HG13 VAL A 77 -4.582 -8.311 6.454 1.00 12.32 H new ATOM 0 HG21 VAL A 77 -3.371 -10.403 4.749 1.00 30.44 H new ATOM 0 HG22 VAL A 77 -4.849 -10.690 5.698 1.00 30.44 H new ATOM 0 HG23 VAL A 77 -4.838 -11.015 3.948 1.00 30.44 H new ATOM 1101 N LYS A 78 -7.148 -6.987 5.810 1.00 74.02 N ATOM 1102 CA LYS A 78 -7.231 -5.642 6.341 1.00 3.32 C ATOM 1103 C LYS A 78 -5.818 -5.287 6.761 1.00 24.42 C ATOM 1104 O LYS A 78 -5.279 -5.955 7.643 1.00 23.34 O ATOM 1105 CB LYS A 78 -8.191 -5.660 7.539 1.00 50.45 C ATOM 1106 CG LYS A 78 -9.315 -4.631 7.430 1.00 1.40 C ATOM 1107 CD LYS A 78 -10.394 -4.913 8.487 1.00 52.25 C ATOM 1108 CE LYS A 78 -11.260 -6.121 8.101 1.00 13.54 C ATOM 1109 NZ LYS A 78 -12.674 -5.742 7.920 1.00 74.25 N ATOM 0 H LYS A 78 -7.324 -7.692 6.526 1.00 74.02 H new ATOM 0 HA LYS A 78 -7.608 -4.911 5.626 1.00 3.32 H new ATOM 0 HB2 LYS A 78 -8.627 -6.655 7.631 1.00 50.45 H new ATOM 0 HB3 LYS A 78 -7.625 -5.474 8.452 1.00 50.45 H new ATOM 0 HG2 LYS A 78 -8.914 -3.627 7.568 1.00 1.40 H new ATOM 0 HG3 LYS A 78 -9.754 -4.665 6.433 1.00 1.40 H new ATOM 0 HD2 LYS A 78 -9.920 -5.097 9.451 1.00 52.25 H new ATOM 0 HD3 LYS A 78 -11.027 -4.034 8.606 1.00 52.25 H new ATOM 0 HE2 LYS A 78 -10.880 -6.561 7.179 1.00 13.54 H new ATOM 0 HE3 LYS A 78 -11.184 -6.885 8.874 1.00 13.54 H new ATOM 0 HZ1 LYS A 78 -13.228 -6.583 7.660 1.00 74.25 H new ATOM 0 HZ2 LYS A 78 -13.043 -5.345 8.807 1.00 74.25 H new ATOM 0 HZ3 LYS A 78 -12.749 -5.031 7.165 1.00 74.25 H new ATOM 1119 N LEU A 79 -5.200 -4.323 6.088 1.00 52.21 N ATOM 1120 CA LEU A 79 -4.021 -3.657 6.619 1.00 62.25 C ATOM 1121 C LEU A 79 -4.563 -2.587 7.543 1.00 21.20 C ATOM 1122 O LEU A 79 -5.127 -1.598 7.081 1.00 3.10 O ATOM 1123 CB LEU A 79 -3.185 -3.066 5.475 1.00 11.00 C ATOM 1124 CG LEU A 79 -1.955 -3.924 5.138 1.00 25.23 C ATOM 1125 CD1 LEU A 79 -2.216 -5.428 5.009 1.00 1.43 C ATOM 1126 CD2 LEU A 79 -1.407 -3.420 3.809 1.00 4.13 C ATOM 0 H LEU A 79 -5.498 -3.986 5.172 1.00 52.21 H new ATOM 0 HA LEU A 79 -3.354 -4.334 7.153 1.00 62.25 H new ATOM 0 HB2 LEU A 79 -3.809 -2.968 4.587 1.00 11.00 H new ATOM 0 HB3 LEU A 79 -2.860 -2.062 5.749 1.00 11.00 H new ATOM 0 HG LEU A 79 -1.263 -3.819 5.973 1.00 25.23 H new ATOM 0 HD11 LEU A 79 -1.284 -5.940 4.770 1.00 1.43 H new ATOM 0 HD12 LEU A 79 -2.609 -5.811 5.951 1.00 1.43 H new ATOM 0 HD13 LEU A 79 -2.941 -5.605 4.214 1.00 1.43 H new ATOM 0 HD21 LEU A 79 -0.530 -4.004 3.532 1.00 4.13 H new ATOM 0 HD22 LEU A 79 -2.170 -3.524 3.038 1.00 4.13 H new ATOM 0 HD23 LEU A 79 -1.128 -2.371 3.905 1.00 4.13 H new ATOM 1137 N VAL A 80 -4.485 -2.849 8.842 1.00 21.33 N ATOM 1138 CA VAL A 80 -4.977 -1.927 9.842 1.00 12.21 C ATOM 1139 C VAL A 80 -3.902 -0.864 10.016 1.00 72.34 C ATOM 1140 O VAL A 80 -2.817 -1.171 10.511 1.00 44.11 O ATOM 1141 CB VAL A 80 -5.345 -2.677 11.135 1.00 44.24 C ATOM 1142 CG1 VAL A 80 -6.164 -1.749 12.030 1.00 73.02 C ATOM 1143 CG2 VAL A 80 -6.180 -3.940 10.869 1.00 1.31 C ATOM 0 H VAL A 80 -4.080 -3.704 9.224 1.00 21.33 H new ATOM 0 HA VAL A 80 -5.903 -1.438 9.540 1.00 12.21 H new ATOM 0 HB VAL A 80 -4.412 -2.980 11.609 1.00 44.24 H new ATOM 0 HG11 VAL A 80 -6.430 -2.271 12.949 1.00 73.02 H new ATOM 0 HG12 VAL A 80 -5.575 -0.864 12.273 1.00 73.02 H new ATOM 0 HG13 VAL A 80 -7.072 -1.448 11.508 1.00 73.02 H new ATOM 0 HG21 VAL A 80 -6.411 -4.429 11.815 1.00 1.31 H new ATOM 0 HG22 VAL A 80 -7.107 -3.664 10.367 1.00 1.31 H new ATOM 0 HG23 VAL A 80 -5.614 -4.623 10.236 1.00 1.31 H new ATOM 1153 N PHE A 81 -4.152 0.347 9.524 1.00 25.03 N ATOM 1154 CA PHE A 81 -3.183 1.431 9.614 1.00 14.14 C ATOM 1155 C PHE A 81 -3.165 1.986 11.032 1.00 13.21 C ATOM 1156 O PHE A 81 -4.195 2.032 11.706 1.00 73.02 O ATOM 1157 CB PHE A 81 -3.528 2.525 8.602 1.00 73.25 C ATOM 1158 CG PHE A 81 -3.321 2.072 7.172 1.00 23.10 C ATOM 1159 CD1 PHE A 81 -2.014 1.976 6.660 1.00 31.31 C ATOM 1160 CD2 PHE A 81 -4.415 1.679 6.382 1.00 61.31 C ATOM 1161 CE1 PHE A 81 -1.798 1.480 5.364 1.00 45.41 C ATOM 1162 CE2 PHE A 81 -4.196 1.187 5.085 1.00 62.14 C ATOM 1163 CZ PHE A 81 -2.890 1.081 4.579 1.00 23.41 C ATOM 0 H PHE A 81 -5.023 0.601 9.057 1.00 25.03 H new ATOM 0 HA PHE A 81 -2.189 1.051 9.379 1.00 14.14 H new ATOM 0 HB2 PHE A 81 -4.566 2.828 8.738 1.00 73.25 H new ATOM 0 HB3 PHE A 81 -2.912 3.403 8.795 1.00 73.25 H new ATOM 0 HD1 PHE A 81 -1.175 2.285 7.265 1.00 31.31 H new ATOM 0 HD2 PHE A 81 -5.420 1.755 6.771 1.00 61.31 H new ATOM 0 HE1 PHE A 81 -0.794 1.406 4.973 1.00 45.41 H new ATOM 0 HE2 PHE A 81 -5.035 0.889 4.474 1.00 62.14 H new ATOM 0 HZ PHE A 81 -2.726 0.692 3.585 1.00 23.41 H new ATOM 1172 N ASP A 82 -2.001 2.469 11.461 1.00 51.53 N ATOM 1173 CA ASP A 82 -1.776 3.030 12.792 1.00 13.32 C ATOM 1174 C ASP A 82 -2.471 4.375 13.013 1.00 72.12 C ATOM 1175 O ASP A 82 -2.682 4.782 14.149 1.00 44.45 O ATOM 1176 CB ASP A 82 -0.277 3.102 13.067 1.00 53.24 C ATOM 1177 CG ASP A 82 0.014 3.615 14.476 1.00 13.23 C ATOM 1178 OD1 ASP A 82 -0.448 2.970 15.435 1.00 41.23 O ATOM 1179 OD2 ASP A 82 0.759 4.615 14.619 1.00 41.14 O ATOM 0 H ASP A 82 -1.165 2.481 10.877 1.00 51.53 H new ATOM 0 HA ASP A 82 -2.239 2.359 13.516 1.00 13.32 H new ATOM 0 HB2 ASP A 82 0.164 2.113 12.941 1.00 53.24 H new ATOM 0 HB3 ASP A 82 0.196 3.757 12.336 1.00 53.24 H new ATOM 1183 N ASP A 83 -2.941 5.026 11.944 1.00 53.41 N ATOM 1184 CA ASP A 83 -3.873 6.158 12.049 1.00 65.23 C ATOM 1185 C ASP A 83 -5.257 5.704 12.559 1.00 65.14 C ATOM 1186 O ASP A 83 -6.145 6.519 12.823 1.00 23.12 O ATOM 1187 CB ASP A 83 -3.985 6.865 10.691 1.00 33.22 C ATOM 1188 CG ASP A 83 -4.603 8.264 10.781 1.00 51.31 C ATOM 1189 OD1 ASP A 83 -4.514 8.913 11.849 1.00 70.45 O ATOM 1190 OD2 ASP A 83 -5.096 8.767 9.747 1.00 14.20 O ATOM 0 H ASP A 83 -2.689 4.786 10.985 1.00 53.41 H new ATOM 0 HA ASP A 83 -3.480 6.864 12.781 1.00 65.23 H new ATOM 0 HB2 ASP A 83 -2.992 6.943 10.247 1.00 33.22 H new ATOM 0 HB3 ASP A 83 -4.587 6.253 10.020 1.00 33.22 H new ATOM 1194 N GLY A 84 -5.449 4.390 12.706 1.00 25.32 N ATOM 1195 CA GLY A 84 -6.631 3.751 13.251 1.00 61.13 C ATOM 1196 C GLY A 84 -7.701 3.637 12.179 1.00 4.12 C ATOM 1197 O GLY A 84 -8.812 4.139 12.364 1.00 54.52 O ATOM 0 H GLY A 84 -4.738 3.713 12.429 1.00 25.32 H new ATOM 0 HA2 GLY A 84 -6.377 2.761 13.630 1.00 61.13 H new ATOM 0 HA3 GLY A 84 -7.010 4.328 14.095 1.00 61.13 H new ATOM 1201 N HIS A 85 -7.361 3.031 11.040 1.00 1.10 N ATOM 1202 CA HIS A 85 -8.229 2.929 9.875 1.00 71.15 C ATOM 1203 C HIS A 85 -8.148 1.508 9.330 1.00 21.21 C ATOM 1204 O HIS A 85 -7.051 1.001 9.084 1.00 22.13 O ATOM 1205 CB HIS A 85 -7.827 3.965 8.811 1.00 61.12 C ATOM 1206 CG HIS A 85 -8.965 4.851 8.365 1.00 34.13 C ATOM 1207 ND1 HIS A 85 -9.610 5.795 9.133 1.00 43.44 N ATOM 1208 CD2 HIS A 85 -9.459 4.954 7.093 1.00 73.01 C ATOM 1209 CE1 HIS A 85 -10.457 6.468 8.340 1.00 65.15 C ATOM 1210 NE2 HIS A 85 -10.380 6.009 7.077 1.00 34.22 N ATOM 0 H HIS A 85 -6.452 2.589 10.903 1.00 1.10 H new ATOM 0 HA HIS A 85 -9.260 3.143 10.157 1.00 71.15 H new ATOM 0 HB2 HIS A 85 -7.027 4.589 9.209 1.00 61.12 H new ATOM 0 HB3 HIS A 85 -7.423 3.443 7.943 1.00 61.12 H new ATOM 0 HD2 HIS A 85 -9.187 4.333 6.252 1.00 73.01 H new ATOM 0 HE1 HIS A 85 -11.108 7.265 8.668 1.00 65.15 H new ATOM 0 HE2 HIS A 85 -10.892 6.360 6.268 1.00 34.22 H new ATOM 1217 N ASP A 86 -9.316 0.897 9.139 1.00 64.14 N ATOM 1218 CA ASP A 86 -9.506 -0.507 8.778 1.00 43.41 C ATOM 1219 C ASP A 86 -10.560 -0.680 7.677 1.00 71.42 C ATOM 1220 O ASP A 86 -10.818 -1.794 7.219 1.00 34.02 O ATOM 1221 CB ASP A 86 -9.897 -1.310 10.031 1.00 32.21 C ATOM 1222 CG ASP A 86 -11.419 -1.409 10.255 1.00 42.33 C ATOM 1223 OD1 ASP A 86 -12.126 -0.379 10.260 1.00 1.50 O ATOM 1224 OD2 ASP A 86 -11.909 -2.544 10.458 1.00 33.32 O ATOM 0 H ASP A 86 -10.201 1.394 9.237 1.00 64.14 H new ATOM 0 HA ASP A 86 -8.565 -0.885 8.379 1.00 43.41 H new ATOM 0 HB2 ASP A 86 -9.485 -2.316 9.950 1.00 32.21 H new ATOM 0 HB3 ASP A 86 -9.440 -0.847 10.905 1.00 32.21 H new ATOM 1228 N THR A 87 -11.186 0.404 7.221 1.00 5.31 N ATOM 1229 CA THR A 87 -12.359 0.390 6.355 1.00 23.33 C ATOM 1230 C THR A 87 -12.055 0.068 4.875 1.00 52.45 C ATOM 1231 O THR A 87 -12.892 0.324 4.007 1.00 14.33 O ATOM 1232 CB THR A 87 -13.147 1.700 6.585 1.00 63.04 C ATOM 1233 OG1 THR A 87 -12.308 2.820 6.839 1.00 74.34 O ATOM 1234 CG2 THR A 87 -14.059 1.555 7.809 1.00 52.11 C ATOM 0 H THR A 87 -10.878 1.348 7.454 1.00 5.31 H new ATOM 0 HA THR A 87 -12.995 -0.450 6.634 1.00 23.33 H new ATOM 0 HB THR A 87 -13.707 1.871 5.666 1.00 63.04 H new ATOM 0 HG1 THR A 87 -12.860 3.618 6.975 1.00 74.34 H new ATOM 0 HG21 THR A 87 -14.610 2.482 7.964 1.00 52.11 H new ATOM 0 HG22 THR A 87 -14.762 0.738 7.644 1.00 52.11 H new ATOM 0 HG23 THR A 87 -13.454 1.341 8.690 1.00 52.11 H new ATOM 1242 N GLY A 88 -10.899 -0.521 4.551 1.00 73.42 N ATOM 1243 CA GLY A 88 -10.579 -1.002 3.210 1.00 61.32 C ATOM 1244 C GLY A 88 -9.908 -2.366 3.287 1.00 44.53 C ATOM 1245 O GLY A 88 -9.132 -2.619 4.213 1.00 62.22 O ATOM 0 H GLY A 88 -10.150 -0.678 5.226 1.00 73.42 H new ATOM 0 HA2 GLY A 88 -11.489 -1.069 2.613 1.00 61.32 H new ATOM 0 HA3 GLY A 88 -9.921 -0.293 2.709 1.00 61.32 H new ATOM 1249 N LEU A 89 -10.191 -3.237 2.315 1.00 32.20 N ATOM 1250 CA LEU A 89 -9.530 -4.532 2.173 1.00 31.44 C ATOM 1251 C LEU A 89 -8.448 -4.424 1.105 1.00 62.43 C ATOM 1252 O LEU A 89 -8.642 -3.791 0.069 1.00 12.20 O ATOM 1253 CB LEU A 89 -10.546 -5.631 1.783 1.00 10.31 C ATOM 1254 CG LEU A 89 -11.105 -6.486 2.928 1.00 51.42 C ATOM 1255 CD1 LEU A 89 -10.006 -7.249 3.646 1.00 25.44 C ATOM 1256 CD2 LEU A 89 -11.908 -5.702 3.965 1.00 62.21 C ATOM 0 H LEU A 89 -10.894 -3.059 1.598 1.00 32.20 H new ATOM 0 HA LEU A 89 -9.084 -4.808 3.129 1.00 31.44 H new ATOM 0 HB2 LEU A 89 -11.383 -5.155 1.273 1.00 10.31 H new ATOM 0 HB3 LEU A 89 -10.069 -6.296 1.062 1.00 10.31 H new ATOM 0 HG LEU A 89 -11.789 -7.177 2.435 1.00 51.42 H new ATOM 0 HD11 LEU A 89 -10.441 -7.843 4.450 1.00 25.44 H new ATOM 0 HD12 LEU A 89 -9.500 -7.908 2.941 1.00 25.44 H new ATOM 0 HD13 LEU A 89 -9.287 -6.544 4.063 1.00 25.44 H new ATOM 0 HD21 LEU A 89 -12.266 -6.382 4.738 1.00 62.21 H new ATOM 0 HD22 LEU A 89 -11.273 -4.940 4.417 1.00 62.21 H new ATOM 0 HD23 LEU A 89 -12.759 -5.224 3.480 1.00 62.21 H new ATOM 1267 N TYR A 90 -7.349 -5.129 1.326 1.00 61.23 N ATOM 1268 CA TYR A 90 -6.151 -5.206 0.516 1.00 21.24 C ATOM 1269 C TYR A 90 -6.107 -6.635 0.000 1.00 34.13 C ATOM 1270 O TYR A 90 -5.919 -7.590 0.763 1.00 5.11 O ATOM 1271 CB TYR A 90 -4.932 -4.846 1.377 1.00 24.33 C ATOM 1272 CG TYR A 90 -4.787 -3.362 1.624 1.00 2.20 C ATOM 1273 CD1 TYR A 90 -5.709 -2.665 2.432 1.00 54.45 C ATOM 1274 CD2 TYR A 90 -3.762 -2.657 0.971 1.00 32.33 C ATOM 1275 CE1 TYR A 90 -5.656 -1.263 2.516 1.00 61.31 C ATOM 1276 CE2 TYR A 90 -3.679 -1.263 1.089 1.00 64.15 C ATOM 1277 CZ TYR A 90 -4.656 -0.551 1.817 1.00 34.53 C ATOM 1278 OH TYR A 90 -4.658 0.808 1.823 1.00 42.05 O ATOM 0 H TYR A 90 -7.270 -5.716 2.157 1.00 61.23 H new ATOM 0 HA TYR A 90 -6.146 -4.507 -0.320 1.00 21.24 H new ATOM 0 HB2 TYR A 90 -5.009 -5.360 2.335 1.00 24.33 H new ATOM 0 HB3 TYR A 90 -4.030 -5.215 0.889 1.00 24.33 H new ATOM 0 HD1 TYR A 90 -6.458 -3.210 2.988 1.00 54.45 H new ATOM 0 HD2 TYR A 90 -3.036 -3.191 0.376 1.00 32.33 H new ATOM 0 HE1 TYR A 90 -6.380 -0.730 3.115 1.00 61.31 H new ATOM 0 HE2 TYR A 90 -2.864 -0.731 0.621 1.00 64.15 H new ATOM 0 HH TYR A 90 -3.941 1.139 1.243 1.00 42.05 H new ATOM 1287 N SER A 91 -6.396 -6.802 -1.287 1.00 64.51 N ATOM 1288 CA SER A 91 -6.412 -8.105 -1.928 1.00 65.34 C ATOM 1289 C SER A 91 -5.002 -8.511 -2.366 1.00 63.54 C ATOM 1290 O SER A 91 -4.088 -7.679 -2.427 1.00 64.13 O ATOM 1291 CB SER A 91 -7.412 -8.062 -3.079 1.00 4.43 C ATOM 1292 OG SER A 91 -6.918 -7.305 -4.158 1.00 21.22 O ATOM 0 H SER A 91 -6.626 -6.031 -1.914 1.00 64.51 H new ATOM 0 HA SER A 91 -6.735 -8.876 -1.228 1.00 65.34 H new ATOM 0 HB2 SER A 91 -7.629 -9.077 -3.413 1.00 4.43 H new ATOM 0 HB3 SER A 91 -8.352 -7.633 -2.731 1.00 4.43 H new ATOM 0 HG SER A 91 -7.579 -7.296 -4.881 1.00 21.22 H new ATOM 1297 N TRP A 92 -4.822 -9.796 -2.667 1.00 44.01 N ATOM 1298 CA TRP A 92 -3.562 -10.337 -3.144 1.00 53.02 C ATOM 1299 C TRP A 92 -3.113 -9.634 -4.438 1.00 42.02 C ATOM 1300 O TRP A 92 -1.954 -9.223 -4.541 1.00 25.13 O ATOM 1301 CB TRP A 92 -3.738 -11.854 -3.301 1.00 52.34 C ATOM 1302 CG TRP A 92 -4.167 -12.638 -2.080 1.00 74.11 C ATOM 1303 CD1 TRP A 92 -4.773 -13.847 -2.136 1.00 33.25 C ATOM 1304 CD2 TRP A 92 -4.026 -12.351 -0.643 1.00 41.13 C ATOM 1305 NE1 TRP A 92 -4.980 -14.342 -0.869 1.00 30.33 N ATOM 1306 CE2 TRP A 92 -4.478 -13.494 0.083 1.00 33.22 C ATOM 1307 CE3 TRP A 92 -3.553 -11.268 0.141 1.00 24.41 C ATOM 1308 CZ2 TRP A 92 -4.377 -13.604 1.472 1.00 31.11 C ATOM 1309 CZ3 TRP A 92 -3.452 -11.359 1.544 1.00 5.32 C ATOM 1310 CH2 TRP A 92 -3.825 -12.545 2.203 1.00 1.42 C ATOM 0 H TRP A 92 -5.560 -10.495 -2.583 1.00 44.01 H new ATOM 0 HA TRP A 92 -2.759 -10.152 -2.430 1.00 53.02 H new ATOM 0 HB2 TRP A 92 -4.473 -12.028 -4.087 1.00 52.34 H new ATOM 0 HB3 TRP A 92 -2.792 -12.268 -3.651 1.00 52.34 H new ATOM 0 HD1 TRP A 92 -5.055 -14.353 -3.048 1.00 33.25 H new ATOM 0 HE1 TRP A 92 -5.447 -15.226 -0.665 1.00 30.33 H new ATOM 0 HE3 TRP A 92 -3.263 -10.350 -0.349 1.00 24.41 H new ATOM 0 HZ2 TRP A 92 -4.721 -14.495 1.976 1.00 31.11 H new ATOM 0 HZ3 TRP A 92 -3.088 -10.517 2.114 1.00 5.32 H new ATOM 0 HH2 TRP A 92 -3.686 -12.638 3.270 1.00 1.42 H new ATOM 1320 N LYS A 93 -4.024 -9.448 -5.402 1.00 30.51 N ATOM 1321 CA LYS A 93 -3.771 -8.700 -6.627 1.00 4.03 C ATOM 1322 C LYS A 93 -3.356 -7.266 -6.315 1.00 21.41 C ATOM 1323 O LYS A 93 -2.329 -6.837 -6.840 1.00 2.13 O ATOM 1324 CB LYS A 93 -4.994 -8.740 -7.540 1.00 63.13 C ATOM 1325 CG LYS A 93 -4.606 -8.147 -8.902 1.00 50.30 C ATOM 1326 CD LYS A 93 -5.785 -8.216 -9.864 1.00 61.13 C ATOM 1327 CE LYS A 93 -5.540 -7.310 -11.078 1.00 62.45 C ATOM 1328 NZ LYS A 93 -5.736 -5.878 -10.775 1.00 62.51 N ATOM 0 H LYS A 93 -4.971 -9.822 -5.346 1.00 30.51 H new ATOM 0 HA LYS A 93 -2.942 -9.173 -7.154 1.00 4.03 H new ATOM 0 HB2 LYS A 93 -5.344 -9.765 -7.659 1.00 63.13 H new ATOM 0 HB3 LYS A 93 -5.814 -8.173 -7.100 1.00 63.13 H new ATOM 0 HG2 LYS A 93 -4.289 -7.111 -8.778 1.00 50.30 H new ATOM 0 HG3 LYS A 93 -3.758 -8.693 -9.316 1.00 50.30 H new ATOM 0 HD2 LYS A 93 -5.933 -9.244 -10.194 1.00 61.13 H new ATOM 0 HD3 LYS A 93 -6.698 -7.910 -9.353 1.00 61.13 H new ATOM 0 HE2 LYS A 93 -4.524 -7.464 -11.441 1.00 62.45 H new ATOM 0 HE3 LYS A 93 -6.213 -7.601 -11.884 1.00 62.45 H new ATOM 0 HZ1 LYS A 93 -5.674 -5.326 -11.654 1.00 62.51 H new ATOM 0 HZ2 LYS A 93 -6.672 -5.739 -10.344 1.00 62.51 H new ATOM 0 HZ3 LYS A 93 -5.000 -5.559 -10.113 1.00 62.51 H new ATOM 1338 N VAL A 94 -4.119 -6.555 -5.477 1.00 11.21 N ATOM 1339 CA VAL A 94 -3.830 -5.156 -5.176 1.00 33.14 C ATOM 1340 C VAL A 94 -2.410 -5.032 -4.611 1.00 10.42 C ATOM 1341 O VAL A 94 -1.718 -4.064 -4.911 1.00 5.43 O ATOM 1342 CB VAL A 94 -4.952 -4.604 -4.262 1.00 3.31 C ATOM 1343 CG1 VAL A 94 -4.665 -3.278 -3.534 1.00 54.35 C ATOM 1344 CG2 VAL A 94 -6.231 -4.400 -5.084 1.00 10.41 C ATOM 0 H VAL A 94 -4.939 -6.928 -4.998 1.00 11.21 H new ATOM 0 HA VAL A 94 -3.834 -4.535 -6.072 1.00 33.14 H new ATOM 0 HB VAL A 94 -5.044 -5.363 -3.485 1.00 3.31 H new ATOM 0 HG11 VAL A 94 -5.528 -3.001 -2.928 1.00 54.35 H new ATOM 0 HG12 VAL A 94 -3.793 -3.397 -2.891 1.00 54.35 H new ATOM 0 HG13 VAL A 94 -4.471 -2.495 -4.267 1.00 54.35 H new ATOM 0 HG21 VAL A 94 -7.020 -4.012 -4.440 1.00 10.41 H new ATOM 0 HG22 VAL A 94 -6.037 -3.690 -5.888 1.00 10.41 H new ATOM 0 HG23 VAL A 94 -6.546 -5.353 -5.509 1.00 10.41 H new ATOM 1354 N LEU A 95 -1.962 -5.981 -3.780 1.00 34.52 N ATOM 1355 CA LEU A 95 -0.598 -5.963 -3.264 1.00 61.21 C ATOM 1356 C LEU A 95 0.410 -6.096 -4.410 1.00 50.03 C ATOM 1357 O LEU A 95 1.364 -5.321 -4.463 1.00 2.31 O ATOM 1358 CB LEU A 95 -0.384 -7.067 -2.214 1.00 63.43 C ATOM 1359 CG LEU A 95 -1.131 -6.884 -0.875 1.00 14.42 C ATOM 1360 CD1 LEU A 95 -0.862 -8.083 0.032 1.00 54.24 C ATOM 1361 CD2 LEU A 95 -0.795 -5.569 -0.159 1.00 30.20 C ATOM 0 H LEU A 95 -2.526 -6.766 -3.455 1.00 34.52 H new ATOM 0 HA LEU A 95 -0.436 -5.004 -2.772 1.00 61.21 H new ATOM 0 HB2 LEU A 95 -0.689 -8.019 -2.650 1.00 63.43 H new ATOM 0 HB3 LEU A 95 0.683 -7.139 -2.005 1.00 63.43 H new ATOM 0 HG LEU A 95 -2.194 -6.828 -1.109 1.00 14.42 H new ATOM 0 HD11 LEU A 95 -1.390 -7.951 0.976 1.00 54.24 H new ATOM 0 HD12 LEU A 95 -1.211 -8.993 -0.455 1.00 54.24 H new ATOM 0 HD13 LEU A 95 0.208 -8.162 0.223 1.00 54.24 H new ATOM 0 HD21 LEU A 95 -1.356 -5.509 0.774 1.00 30.20 H new ATOM 0 HD22 LEU A 95 0.273 -5.535 0.057 1.00 30.20 H new ATOM 0 HD23 LEU A 95 -1.063 -4.728 -0.798 1.00 30.20 H new ATOM 1372 N TYR A 96 0.216 -7.062 -5.316 1.00 14.32 N ATOM 1373 CA TYR A 96 1.128 -7.292 -6.435 1.00 74.44 C ATOM 1374 C TYR A 96 1.206 -6.057 -7.337 1.00 13.04 C ATOM 1375 O TYR A 96 2.303 -5.622 -7.679 1.00 54.15 O ATOM 1376 CB TYR A 96 0.725 -8.556 -7.233 1.00 14.23 C ATOM 1377 CG TYR A 96 1.866 -9.470 -7.682 1.00 61.31 C ATOM 1378 CD1 TYR A 96 3.159 -8.974 -7.966 1.00 1.31 C ATOM 1379 CD2 TYR A 96 1.635 -10.860 -7.774 1.00 44.40 C ATOM 1380 CE1 TYR A 96 4.212 -9.852 -8.283 1.00 42.40 C ATOM 1381 CE2 TYR A 96 2.681 -11.746 -8.091 1.00 64.10 C ATOM 1382 CZ TYR A 96 3.978 -11.246 -8.331 1.00 45.20 C ATOM 1383 OH TYR A 96 4.988 -12.119 -8.609 1.00 11.11 O ATOM 0 H TYR A 96 -0.577 -7.703 -5.291 1.00 14.32 H new ATOM 0 HA TYR A 96 2.124 -7.468 -6.030 1.00 74.44 H new ATOM 0 HB2 TYR A 96 0.039 -9.142 -6.621 1.00 14.23 H new ATOM 0 HB3 TYR A 96 0.173 -8.240 -8.118 1.00 14.23 H new ATOM 0 HD1 TYR A 96 3.341 -7.910 -7.939 1.00 1.31 H new ATOM 0 HD2 TYR A 96 0.642 -11.248 -7.599 1.00 44.40 H new ATOM 0 HE1 TYR A 96 5.198 -9.462 -8.489 1.00 42.40 H new ATOM 0 HE2 TYR A 96 2.491 -12.808 -8.151 1.00 64.10 H new ATOM 0 HH TYR A 96 5.838 -11.748 -8.292 1.00 11.11 H new ATOM 1392 N ASP A 97 0.060 -5.485 -7.714 1.00 52.31 N ATOM 1393 CA ASP A 97 -0.087 -4.393 -8.687 1.00 42.11 C ATOM 1394 C ASP A 97 0.497 -3.082 -8.202 1.00 1.04 C ATOM 1395 O ASP A 97 0.985 -2.288 -9.011 1.00 71.11 O ATOM 1396 CB ASP A 97 -1.591 -4.179 -8.930 1.00 13.24 C ATOM 1397 CG ASP A 97 -1.962 -3.286 -10.119 1.00 74.22 C ATOM 1398 OD1 ASP A 97 -2.191 -3.800 -11.239 1.00 71.34 O ATOM 1399 OD2 ASP A 97 -2.237 -2.087 -9.887 1.00 24.54 O ATOM 0 H ASP A 97 -0.837 -5.784 -7.331 1.00 52.31 H new ATOM 0 HA ASP A 97 0.452 -4.680 -9.590 1.00 42.11 H new ATOM 0 HB2 ASP A 97 -2.057 -5.154 -9.074 1.00 13.24 H new ATOM 0 HB3 ASP A 97 -2.026 -3.748 -8.028 1.00 13.24 H new ATOM 1403 N LEU A 98 0.569 -2.912 -6.888 1.00 63.42 N ATOM 1404 CA LEU A 98 1.250 -1.787 -6.283 1.00 21.30 C ATOM 1405 C LEU A 98 2.751 -2.043 -6.191 1.00 21.42 C ATOM 1406 O LEU A 98 3.520 -1.166 -6.560 1.00 73.41 O ATOM 1407 CB LEU A 98 0.598 -1.505 -4.926 1.00 3.02 C ATOM 1408 CG LEU A 98 -0.838 -0.956 -5.090 1.00 42.34 C ATOM 1409 CD1 LEU A 98 -1.478 -0.799 -3.710 1.00 41.02 C ATOM 1410 CD2 LEU A 98 -0.870 0.386 -5.818 1.00 65.45 C ATOM 0 H LEU A 98 0.154 -3.556 -6.214 1.00 63.42 H new ATOM 0 HA LEU A 98 1.147 -0.896 -6.902 1.00 21.30 H new ATOM 0 HB2 LEU A 98 0.573 -2.421 -4.336 1.00 3.02 H new ATOM 0 HB3 LEU A 98 1.203 -0.786 -4.373 1.00 3.02 H new ATOM 0 HG LEU A 98 -1.396 -1.670 -5.696 1.00 42.34 H new ATOM 0 HD11 LEU A 98 -2.491 -0.412 -3.821 1.00 41.02 H new ATOM 0 HD12 LEU A 98 -1.512 -1.768 -3.212 1.00 41.02 H new ATOM 0 HD13 LEU A 98 -0.888 -0.105 -3.112 1.00 41.02 H new ATOM 0 HD21 LEU A 98 -1.901 0.727 -5.907 1.00 65.45 H new ATOM 0 HD22 LEU A 98 -0.292 1.119 -5.255 1.00 65.45 H new ATOM 0 HD23 LEU A 98 -0.439 0.271 -6.813 1.00 65.45 H new ATOM 1421 N ALA A 99 3.173 -3.226 -5.734 1.00 72.44 N ATOM 1422 CA ALA A 99 4.572 -3.545 -5.439 1.00 62.54 C ATOM 1423 C ALA A 99 5.509 -3.379 -6.639 1.00 13.20 C ATOM 1424 O ALA A 99 6.470 -2.622 -6.567 1.00 24.13 O ATOM 1425 CB ALA A 99 4.670 -4.956 -4.867 1.00 11.14 C ATOM 0 H ALA A 99 2.538 -4.004 -5.555 1.00 72.44 H new ATOM 0 HA ALA A 99 4.910 -2.819 -4.699 1.00 62.54 H new ATOM 0 HB1 ALA A 99 5.712 -5.189 -4.649 1.00 11.14 H new ATOM 0 HB2 ALA A 99 4.085 -5.018 -3.949 1.00 11.14 H new ATOM 0 HB3 ALA A 99 4.283 -5.671 -5.593 1.00 11.14 H new ATOM 1431 N SER A 100 5.258 -4.092 -7.739 1.00 45.35 N ATOM 1432 CA SER A 100 6.089 -4.040 -8.945 1.00 25.11 C ATOM 1433 C SER A 100 6.201 -2.619 -9.518 1.00 4.40 C ATOM 1434 O SER A 100 7.180 -2.320 -10.208 1.00 53.25 O ATOM 1435 CB SER A 100 5.561 -5.047 -9.984 1.00 43.01 C ATOM 1436 OG SER A 100 6.613 -5.697 -10.669 1.00 10.40 O ATOM 0 H SER A 100 4.465 -4.728 -7.819 1.00 45.35 H new ATOM 0 HA SER A 100 7.105 -4.326 -8.672 1.00 25.11 H new ATOM 0 HB2 SER A 100 4.938 -5.790 -9.486 1.00 43.01 H new ATOM 0 HB3 SER A 100 4.926 -4.529 -10.702 1.00 43.01 H new ATOM 0 HG SER A 100 6.239 -6.329 -11.318 1.00 10.40 H new ATOM 1441 N ASN A 101 5.234 -1.739 -9.228 1.00 72.14 N ATOM 1442 CA ASN A 101 5.201 -0.369 -9.747 1.00 22.14 C ATOM 1443 C ASN A 101 5.433 0.719 -8.682 1.00 33.53 C ATOM 1444 O ASN A 101 5.189 1.891 -8.966 1.00 70.13 O ATOM 1445 CB ASN A 101 3.864 -0.157 -10.479 1.00 42.44 C ATOM 1446 CG ASN A 101 3.667 -1.182 -11.576 1.00 41.31 C ATOM 1447 OD1 ASN A 101 4.469 -1.273 -12.507 1.00 51.04 O ATOM 1448 ND2 ASN A 101 2.643 -2.011 -11.500 1.00 71.15 N ATOM 0 H ASN A 101 4.446 -1.962 -8.620 1.00 72.14 H new ATOM 0 HA ASN A 101 6.040 -0.260 -10.434 1.00 22.14 H new ATOM 0 HB2 ASN A 101 3.042 -0.223 -9.766 1.00 42.44 H new ATOM 0 HB3 ASN A 101 3.836 0.845 -10.906 1.00 42.44 H new ATOM 0 HD21 ASN A 101 2.514 -2.729 -12.213 1.00 71.15 H new ATOM 0 HD22 ASN A 101 1.980 -1.934 -10.728 1.00 71.15 H new ATOM 1454 N GLN A 102 5.886 0.389 -7.468 1.00 21.50 N ATOM 1455 CA GLN A 102 5.657 1.198 -6.268 1.00 4.32 C ATOM 1456 C GLN A 102 6.405 2.525 -6.328 1.00 4.40 C ATOM 1457 O GLN A 102 5.995 3.512 -5.722 1.00 51.35 O ATOM 1458 CB GLN A 102 6.034 0.401 -4.999 1.00 2.30 C ATOM 1459 CG GLN A 102 7.543 0.304 -4.686 1.00 72.53 C ATOM 1460 CD GLN A 102 7.978 -1.082 -4.230 1.00 63.24 C ATOM 1461 OE1 GLN A 102 8.710 -1.783 -4.919 1.00 2.20 O ATOM 1462 NE2 GLN A 102 7.547 -1.493 -3.055 1.00 72.21 N ATOM 0 H GLN A 102 6.428 -0.457 -7.290 1.00 21.50 H new ATOM 0 HA GLN A 102 4.594 1.434 -6.224 1.00 4.32 H new ATOM 0 HB2 GLN A 102 5.534 0.858 -4.145 1.00 2.30 H new ATOM 0 HB3 GLN A 102 5.637 -0.610 -5.097 1.00 2.30 H new ATOM 0 HG2 GLN A 102 8.109 0.580 -5.575 1.00 72.53 H new ATOM 0 HG3 GLN A 102 7.793 1.029 -3.911 1.00 72.53 H new ATOM 0 HE21 GLN A 102 6.938 -0.894 -2.497 1.00 72.21 H new ATOM 0 HE22 GLN A 102 7.822 -2.410 -2.703 1.00 72.21 H new ATOM 1469 N VAL A 103 7.535 2.530 -7.025 1.00 5.12 N ATOM 1470 CA VAL A 103 8.403 3.669 -7.223 1.00 33.50 C ATOM 1471 C VAL A 103 7.736 4.633 -8.187 1.00 23.24 C ATOM 1472 O VAL A 103 7.615 5.814 -7.882 1.00 71.35 O ATOM 1473 CB VAL A 103 9.736 3.122 -7.765 1.00 21.54 C ATOM 1474 CG1 VAL A 103 10.626 4.201 -8.370 1.00 25.12 C ATOM 1475 CG2 VAL A 103 10.489 2.400 -6.644 1.00 3.12 C ATOM 0 H VAL A 103 7.883 1.691 -7.489 1.00 5.12 H new ATOM 0 HA VAL A 103 8.592 4.220 -6.301 1.00 33.50 H new ATOM 0 HB VAL A 103 9.490 2.429 -8.570 1.00 21.54 H new ATOM 0 HG11 VAL A 103 11.549 3.750 -8.733 1.00 25.12 H new ATOM 0 HG12 VAL A 103 10.105 4.679 -9.199 1.00 25.12 H new ATOM 0 HG13 VAL A 103 10.861 4.947 -7.611 1.00 25.12 H new ATOM 0 HG21 VAL A 103 11.432 2.013 -7.030 1.00 3.12 H new ATOM 0 HG22 VAL A 103 10.688 3.098 -5.831 1.00 3.12 H new ATOM 0 HG23 VAL A 103 9.883 1.574 -6.272 1.00 3.12 H new ATOM 1485 N ASP A 104 7.363 4.137 -9.362 1.00 62.45 N ATOM 1486 CA ASP A 104 6.900 4.983 -10.455 1.00 65.21 C ATOM 1487 C ASP A 104 5.525 5.560 -10.128 1.00 45.33 C ATOM 1488 O ASP A 104 5.266 6.737 -10.366 1.00 2.02 O ATOM 1489 CB ASP A 104 6.839 4.152 -11.732 1.00 62.23 C ATOM 1490 CG ASP A 104 6.552 5.029 -12.943 1.00 54.31 C ATOM 1491 OD1 ASP A 104 7.468 5.800 -13.329 1.00 63.52 O ATOM 1492 OD2 ASP A 104 5.453 4.892 -13.526 1.00 54.32 O ATOM 0 H ASP A 104 7.373 3.141 -9.583 1.00 62.45 H new ATOM 0 HA ASP A 104 7.592 5.813 -10.596 1.00 65.21 H new ATOM 0 HB2 ASP A 104 7.784 3.628 -11.874 1.00 62.23 H new ATOM 0 HB3 ASP A 104 6.064 3.391 -11.638 1.00 62.23 H new ATOM 1496 N LEU A 105 4.671 4.733 -9.517 1.00 64.25 N ATOM 1497 CA LEU A 105 3.390 5.135 -8.965 1.00 54.11 C ATOM 1498 C LEU A 105 3.568 6.214 -7.903 1.00 45.14 C ATOM 1499 O LEU A 105 2.756 7.132 -7.841 1.00 31.11 O ATOM 1500 CB LEU A 105 2.690 3.913 -8.347 1.00 42.33 C ATOM 1501 CG LEU A 105 2.120 2.914 -9.373 1.00 24.42 C ATOM 1502 CD1 LEU A 105 1.389 1.788 -8.630 1.00 44.11 C ATOM 1503 CD2 LEU A 105 1.191 3.548 -10.412 1.00 13.03 C ATOM 0 H LEU A 105 4.865 3.739 -9.393 1.00 64.25 H new ATOM 0 HA LEU A 105 2.780 5.543 -9.771 1.00 54.11 H new ATOM 0 HB2 LEU A 105 3.399 3.390 -7.706 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.878 4.260 -7.708 1.00 42.33 H new ATOM 0 HG LEU A 105 2.969 2.523 -9.934 1.00 24.42 H new ATOM 0 HD11 LEU A 105 0.984 1.079 -9.352 1.00 44.11 H new ATOM 0 HD12 LEU A 105 2.088 1.274 -7.970 1.00 44.11 H new ATOM 0 HD13 LEU A 105 0.575 2.210 -8.040 1.00 44.11 H new ATOM 0 HD21 LEU A 105 0.832 2.779 -11.097 1.00 13.03 H new ATOM 0 HD22 LEU A 105 0.342 4.009 -9.908 1.00 13.03 H new ATOM 0 HD23 LEU A 105 1.736 4.307 -10.972 1.00 13.03 H new ATOM 1514 N TRP A 106 4.597 6.094 -7.059 1.00 34.30 N ATOM 1515 CA TRP A 106 4.893 7.085 -6.045 1.00 44.01 C ATOM 1516 C TRP A 106 5.321 8.389 -6.692 1.00 30.11 C ATOM 1517 O TRP A 106 4.708 9.414 -6.416 1.00 64.12 O ATOM 1518 CB TRP A 106 5.927 6.541 -5.059 1.00 50.41 C ATOM 1519 CG TRP A 106 6.323 7.460 -3.955 1.00 22.53 C ATOM 1520 CD1 TRP A 106 7.525 8.056 -3.800 1.00 25.20 C ATOM 1521 CD2 TRP A 106 5.495 7.939 -2.865 1.00 4.32 C ATOM 1522 NE1 TRP A 106 7.530 8.787 -2.631 1.00 5.33 N ATOM 1523 CE2 TRP A 106 6.280 8.797 -2.044 1.00 72.45 C ATOM 1524 CE3 TRP A 106 4.136 7.780 -2.534 1.00 31.24 C ATOM 1525 CZ2 TRP A 106 5.727 9.482 -0.957 1.00 45.13 C ATOM 1526 CZ3 TRP A 106 3.575 8.440 -1.426 1.00 1.11 C ATOM 1527 CH2 TRP A 106 4.374 9.284 -0.636 1.00 10.32 C ATOM 0 H TRP A 106 5.242 5.304 -7.067 1.00 34.30 H new ATOM 0 HA TRP A 106 3.993 7.301 -5.470 1.00 44.01 H new ATOM 0 HB2 TRP A 106 5.533 5.625 -4.619 1.00 50.41 H new ATOM 0 HB3 TRP A 106 6.823 6.268 -5.616 1.00 50.41 H new ATOM 0 HD1 TRP A 106 8.355 7.973 -4.486 1.00 25.20 H new ATOM 0 HE1 TRP A 106 8.350 9.259 -2.250 1.00 5.33 H new ATOM 0 HE3 TRP A 106 3.513 7.140 -3.142 1.00 31.24 H new ATOM 0 HZ2 TRP A 106 6.334 10.156 -0.371 1.00 45.13 H new ATOM 0 HZ3 TRP A 106 2.532 8.298 -1.183 1.00 1.11 H new ATOM 0 HH2 TRP A 106 3.946 9.782 0.221 1.00 10.32 H new ATOM 1537 N GLU A 107 6.338 8.367 -7.551 1.00 32.51 N ATOM 1538 CA GLU A 107 6.913 9.549 -8.205 1.00 61.51 C ATOM 1539 C GLU A 107 5.872 10.361 -8.979 1.00 32.44 C ATOM 1540 O GLU A 107 6.040 11.568 -9.178 1.00 21.21 O ATOM 1541 CB GLU A 107 8.052 9.110 -9.142 1.00 13.42 C ATOM 1542 CG GLU A 107 9.420 9.645 -8.696 1.00 23.20 C ATOM 1543 CD GLU A 107 9.760 11.014 -9.280 1.00 54.02 C ATOM 1544 OE1 GLU A 107 10.018 11.059 -10.509 1.00 5.44 O ATOM 1545 OE2 GLU A 107 9.798 12.017 -8.533 1.00 52.13 O ATOM 0 H GLU A 107 6.802 7.500 -7.822 1.00 32.51 H new ATOM 0 HA GLU A 107 7.300 10.203 -7.424 1.00 61.51 H new ATOM 0 HB2 GLU A 107 8.087 8.021 -9.181 1.00 13.42 H new ATOM 0 HB3 GLU A 107 7.841 9.459 -10.153 1.00 13.42 H new ATOM 0 HG2 GLU A 107 9.439 9.708 -7.608 1.00 23.20 H new ATOM 0 HG3 GLU A 107 10.192 8.933 -8.987 1.00 23.20 H new ATOM 1550 N ASN A 108 4.778 9.719 -9.391 1.00 24.30 N ATOM 1551 CA ASN A 108 3.642 10.402 -9.981 1.00 22.13 C ATOM 1552 C ASN A 108 3.016 11.387 -8.991 1.00 72.42 C ATOM 1553 O ASN A 108 2.700 12.513 -9.370 1.00 22.42 O ATOM 1554 CB ASN A 108 2.605 9.380 -10.455 1.00 14.40 C ATOM 1555 CG ASN A 108 1.891 9.907 -11.685 1.00 61.32 C ATOM 1556 OD1 ASN A 108 1.021 10.769 -11.616 1.00 23.14 O ATOM 1557 ND2 ASN A 108 2.294 9.433 -12.848 1.00 61.25 N ATOM 0 H ASN A 108 4.661 8.708 -9.322 1.00 24.30 H new ATOM 0 HA ASN A 108 3.992 10.973 -10.841 1.00 22.13 H new ATOM 0 HB2 ASN A 108 3.093 8.433 -10.684 1.00 14.40 H new ATOM 0 HB3 ASN A 108 1.885 9.184 -9.661 1.00 14.40 H new ATOM 0 HD21 ASN A 108 1.881 9.783 -13.712 1.00 61.25 H new ATOM 0 HD22 ASN A 108 3.019 8.716 -12.883 1.00 61.25 H new ATOM 1563 N TYR A 109 2.883 11.019 -7.709 1.00 61.43 N ATOM 1564 CA TYR A 109 2.219 11.833 -6.711 1.00 14.32 C ATOM 1565 C TYR A 109 3.082 13.035 -6.422 1.00 71.33 C ATOM 1566 O TYR A 109 2.547 14.115 -6.207 1.00 22.13 O ATOM 1567 CB TYR A 109 1.999 11.064 -5.401 1.00 13.14 C ATOM 1568 CG TYR A 109 0.998 9.940 -5.481 1.00 23.30 C ATOM 1569 CD1 TYR A 109 -0.333 10.199 -5.851 1.00 61.51 C ATOM 1570 CD2 TYR A 109 1.398 8.637 -5.150 1.00 43.02 C ATOM 1571 CE1 TYR A 109 -1.262 9.148 -5.886 1.00 53.21 C ATOM 1572 CE2 TYR A 109 0.476 7.583 -5.195 1.00 32.21 C ATOM 1573 CZ TYR A 109 -0.866 7.838 -5.544 1.00 12.12 C ATOM 1574 OH TYR A 109 -1.774 6.830 -5.484 1.00 44.14 O ATOM 0 H TYR A 109 3.241 10.137 -7.344 1.00 61.43 H new ATOM 0 HA TYR A 109 1.244 12.125 -7.102 1.00 14.32 H new ATOM 0 HB2 TYR A 109 2.955 10.656 -5.072 1.00 13.14 H new ATOM 0 HB3 TYR A 109 1.672 11.767 -4.635 1.00 13.14 H new ATOM 0 HD1 TYR A 109 -0.639 11.202 -6.107 1.00 61.51 H new ATOM 0 HD2 TYR A 109 2.420 8.445 -4.859 1.00 43.02 H new ATOM 0 HE1 TYR A 109 -2.284 9.343 -6.176 1.00 53.21 H new ATOM 0 HE2 TYR A 109 0.793 6.577 -4.963 1.00 32.21 H new ATOM 0 HH TYR A 109 -1.451 6.067 -6.007 1.00 44.14 H new ATOM 1583 N LEU A 110 4.403 12.863 -6.403 1.00 5.42 N ATOM 1584 CA LEU A 110 5.336 13.928 -6.110 1.00 10.00 C ATOM 1585 C LEU A 110 5.166 15.046 -7.138 1.00 43.01 C ATOM 1586 O LEU A 110 5.012 16.214 -6.761 1.00 43.13 O ATOM 1587 CB LEU A 110 6.742 13.325 -6.091 1.00 73.12 C ATOM 1588 CG LEU A 110 6.987 12.458 -4.843 1.00 25.12 C ATOM 1589 CD1 LEU A 110 6.228 11.161 -4.631 1.00 41.01 C ATOM 1590 CD2 LEU A 110 8.458 12.084 -4.787 1.00 74.51 C ATOM 0 H LEU A 110 4.851 11.967 -6.594 1.00 5.42 H new ATOM 0 HA LEU A 110 5.152 14.379 -5.135 1.00 10.00 H new ATOM 0 HB2 LEU A 110 6.888 12.720 -6.986 1.00 73.12 H new ATOM 0 HB3 LEU A 110 7.480 14.127 -6.125 1.00 73.12 H new ATOM 0 HG LEU A 110 6.607 13.119 -4.064 1.00 25.12 H new ATOM 0 HD11 LEU A 110 6.546 10.702 -3.695 1.00 41.01 H new ATOM 0 HD12 LEU A 110 5.159 11.368 -4.589 1.00 41.01 H new ATOM 0 HD13 LEU A 110 6.434 10.480 -5.457 1.00 41.01 H new ATOM 0 HD21 LEU A 110 8.644 11.469 -3.906 1.00 74.51 H new ATOM 0 HD22 LEU A 110 8.725 11.524 -5.683 1.00 74.51 H new ATOM 0 HD23 LEU A 110 9.062 12.990 -4.731 1.00 74.51 H new ATOM 1601 N ALA A 111 5.079 14.677 -8.416 1.00 2.30 N ATOM 1602 CA ALA A 111 4.786 15.589 -9.507 1.00 34.51 C ATOM 1603 C ALA A 111 3.390 16.212 -9.343 1.00 13.01 C ATOM 1604 O ALA A 111 3.243 17.441 -9.312 1.00 52.24 O ATOM 1605 CB ALA A 111 4.957 14.831 -10.827 1.00 31.52 C ATOM 0 H ALA A 111 5.214 13.713 -8.722 1.00 2.30 H new ATOM 0 HA ALA A 111 5.481 16.428 -9.503 1.00 34.51 H new ATOM 0 HB1 ALA A 111 4.741 15.499 -11.661 1.00 31.52 H new ATOM 0 HB2 ALA A 111 5.982 14.468 -10.908 1.00 31.52 H new ATOM 0 HB3 ALA A 111 4.270 13.985 -10.853 1.00 31.52 H new ATOM 1611 N ARG A 112 2.332 15.399 -9.219 1.00 42.03 N ATOM 1612 CA ARG A 112 0.952 15.911 -9.143 1.00 4.01 C ATOM 1613 C ARG A 112 0.765 16.838 -7.939 1.00 2.23 C ATOM 1614 O ARG A 112 0.058 17.839 -8.030 1.00 22.22 O ATOM 1615 CB ARG A 112 -0.077 14.767 -9.084 1.00 21.34 C ATOM 1616 CG ARG A 112 0.035 13.728 -10.216 1.00 13.43 C ATOM 1617 CD ARG A 112 -1.243 13.482 -11.021 1.00 44.15 C ATOM 1618 NE ARG A 112 -1.658 14.657 -11.805 1.00 43.45 N ATOM 1619 CZ ARG A 112 -2.092 14.657 -13.071 1.00 12.31 C ATOM 1620 NH1 ARG A 112 -2.263 13.524 -13.744 1.00 13.13 N ATOM 1621 NH2 ARG A 112 -2.371 15.824 -13.643 1.00 3.00 N ATOM 0 H ARG A 112 2.403 14.383 -9.169 1.00 42.03 H new ATOM 0 HA ARG A 112 0.780 16.483 -10.055 1.00 4.01 H new ATOM 0 HB2 ARG A 112 0.029 14.253 -8.129 1.00 21.34 H new ATOM 0 HB3 ARG A 112 -1.078 15.198 -9.105 1.00 21.34 H new ATOM 0 HG2 ARG A 112 0.818 14.049 -10.902 1.00 13.43 H new ATOM 0 HG3 ARG A 112 0.358 12.781 -9.784 1.00 13.43 H new ATOM 0 HD2 ARG A 112 -1.087 12.639 -11.694 1.00 44.15 H new ATOM 0 HD3 ARG A 112 -2.047 13.202 -10.341 1.00 44.15 H new ATOM 0 HE ARG A 112 -1.610 15.562 -11.336 1.00 43.45 H new ATOM 0 HH11 ARG A 112 -2.062 12.630 -13.296 1.00 13.13 H new ATOM 0 HH12 ARG A 112 -2.595 13.549 -14.708 1.00 13.13 H new ATOM 0 HH21 ARG A 112 -2.253 16.691 -13.118 1.00 3.00 H new ATOM 0 HH22 ARG A 112 -2.703 15.853 -14.607 1.00 3.00 H new ATOM 1632 N LEU A 113 1.423 16.553 -6.817 1.00 30.30 N ATOM 1633 CA LEU A 113 1.326 17.296 -5.567 1.00 41.44 C ATOM 1634 C LEU A 113 1.761 18.738 -5.778 1.00 61.13 C ATOM 1635 O LEU A 113 1.094 19.665 -5.316 1.00 11.12 O ATOM 1636 CB LEU A 113 2.196 16.616 -4.494 1.00 73.45 C ATOM 1637 CG LEU A 113 2.293 17.371 -3.159 1.00 52.44 C ATOM 1638 CD1 LEU A 113 0.906 17.599 -2.577 1.00 10.22 C ATOM 1639 CD2 LEU A 113 3.109 16.587 -2.136 1.00 61.43 C ATOM 0 H LEU A 113 2.066 15.763 -6.754 1.00 30.30 H new ATOM 0 HA LEU A 113 0.290 17.300 -5.229 1.00 41.44 H new ATOM 0 HB2 LEU A 113 1.797 15.620 -4.302 1.00 73.45 H new ATOM 0 HB3 LEU A 113 3.202 16.485 -4.893 1.00 73.45 H new ATOM 0 HG LEU A 113 2.783 18.323 -3.364 1.00 52.44 H new ATOM 0 HD11 LEU A 113 0.992 18.135 -1.632 1.00 10.22 H new ATOM 0 HD12 LEU A 113 0.311 18.188 -3.275 1.00 10.22 H new ATOM 0 HD13 LEU A 113 0.420 16.638 -2.407 1.00 10.22 H new ATOM 0 HD21 LEU A 113 3.159 17.148 -1.203 1.00 61.43 H new ATOM 0 HD22 LEU A 113 2.635 15.622 -1.955 1.00 61.43 H new ATOM 0 HD23 LEU A 113 4.117 16.429 -2.519 1.00 61.43 H new ATOM 1650 N ARG A 114 2.862 18.937 -6.507 1.00 25.44 N ATOM 1651 CA ARG A 114 3.343 20.269 -6.847 1.00 14.12 C ATOM 1652 C ARG A 114 2.261 21.030 -7.611 1.00 10.10 C ATOM 1653 O ARG A 114 1.867 22.120 -7.179 1.00 12.04 O ATOM 1654 CB ARG A 114 4.658 20.157 -7.642 1.00 23.22 C ATOM 1655 CG ARG A 114 5.870 20.557 -6.792 1.00 2.12 C ATOM 1656 CD ARG A 114 7.175 19.967 -7.342 1.00 51.45 C ATOM 1657 NE ARG A 114 8.290 20.893 -7.092 1.00 42.05 N ATOM 1658 CZ ARG A 114 8.664 21.884 -7.911 1.00 24.23 C ATOM 1659 NH1 ARG A 114 8.165 21.976 -9.141 1.00 30.22 N ATOM 1660 NH2 ARG A 114 9.519 22.802 -7.489 1.00 22.11 N ATOM 0 H ARG A 114 3.439 18.180 -6.874 1.00 25.44 H new ATOM 0 HA ARG A 114 3.557 20.835 -5.941 1.00 14.12 H new ATOM 0 HB2 ARG A 114 4.783 19.134 -7.996 1.00 23.22 H new ATOM 0 HB3 ARG A 114 4.606 20.795 -8.524 1.00 23.22 H new ATOM 0 HG2 ARG A 114 5.948 21.644 -6.760 1.00 2.12 H new ATOM 0 HG3 ARG A 114 5.722 20.218 -5.767 1.00 2.12 H new ATOM 0 HD2 ARG A 114 7.377 19.006 -6.869 1.00 51.45 H new ATOM 0 HD3 ARG A 114 7.078 19.782 -8.412 1.00 51.45 H new ATOM 0 HE ARG A 114 8.819 20.771 -6.228 1.00 42.05 H new ATOM 0 HH11 ARG A 114 7.489 21.287 -9.470 1.00 30.22 H new ATOM 0 HH12 ARG A 114 8.458 22.736 -9.755 1.00 30.22 H new ATOM 0 HH21 ARG A 114 9.892 22.754 -6.541 1.00 22.11 H new ATOM 0 HH22 ARG A 114 9.805 23.557 -8.112 1.00 22.11 H new ATOM 1671 N ALA A 115 1.701 20.428 -8.664 1.00 54.33 N ATOM 1672 CA ALA A 115 0.648 21.029 -9.471 1.00 64.22 C ATOM 1673 C ALA A 115 -0.589 21.342 -8.621 1.00 12.21 C ATOM 1674 O ALA A 115 -1.331 22.272 -8.936 1.00 72.12 O ATOM 1675 CB ALA A 115 0.282 20.081 -10.616 1.00 3.10 C ATOM 0 H ALA A 115 1.973 19.497 -8.980 1.00 54.33 H new ATOM 0 HA ALA A 115 1.015 21.970 -9.881 1.00 64.22 H new ATOM 0 HB1 ALA A 115 -0.506 20.529 -11.221 1.00 3.10 H new ATOM 0 HB2 ALA A 115 1.160 19.904 -11.237 1.00 3.10 H new ATOM 0 HB3 ALA A 115 -0.069 19.134 -10.206 1.00 3.10 H new ATOM 1681 N ALA A 116 -0.797 20.585 -7.541 1.00 61.21 N ATOM 1682 CA ALA A 116 -1.936 20.668 -6.651 1.00 41.21 C ATOM 1683 C ALA A 116 -1.745 21.712 -5.546 1.00 34.51 C ATOM 1684 O ALA A 116 -2.705 22.023 -4.841 1.00 2.02 O ATOM 1685 CB ALA A 116 -2.185 19.293 -6.022 1.00 14.04 C ATOM 0 H ALA A 116 -0.135 19.863 -7.257 1.00 61.21 H new ATOM 0 HA ALA A 116 -2.795 20.981 -7.244 1.00 41.21 H new ATOM 0 HB1 ALA A 116 -3.042 19.350 -5.351 1.00 14.04 H new ATOM 0 HB2 ALA A 116 -2.387 18.565 -6.807 1.00 14.04 H new ATOM 0 HB3 ALA A 116 -1.303 18.985 -5.460 1.00 14.04 H new ATOM 1691 N LYS A 117 -0.527 22.244 -5.397 1.00 63.45 N ATOM 1692 CA LYS A 117 -0.066 23.148 -4.344 1.00 62.53 C ATOM 1693 C LYS A 117 -0.198 22.564 -2.924 1.00 63.35 C ATOM 1694 O LYS A 117 -0.129 23.331 -1.958 1.00 44.41 O ATOM 1695 CB LYS A 117 -0.709 24.544 -4.449 1.00 14.04 C ATOM 1696 CG LYS A 117 -0.574 25.193 -5.835 1.00 72.22 C ATOM 1697 CD LYS A 117 -1.759 24.971 -6.781 1.00 50.41 C ATOM 1698 CE LYS A 117 -3.116 25.457 -6.248 1.00 10.00 C ATOM 1699 NZ LYS A 117 -3.287 26.925 -6.261 1.00 70.24 N ATOM 0 H LYS A 117 0.218 22.036 -6.062 1.00 63.45 H new ATOM 0 HA LYS A 117 1.003 23.267 -4.518 1.00 62.53 H new ATOM 0 HB2 LYS A 117 -1.767 24.465 -4.198 1.00 14.04 H new ATOM 0 HB3 LYS A 117 -0.253 25.199 -3.707 1.00 14.04 H new ATOM 0 HG2 LYS A 117 -0.432 26.266 -5.703 1.00 72.22 H new ATOM 0 HG3 LYS A 117 0.327 24.808 -6.312 1.00 72.22 H new ATOM 0 HD2 LYS A 117 -1.553 25.479 -7.723 1.00 50.41 H new ATOM 0 HD3 LYS A 117 -1.833 23.906 -7.003 1.00 50.41 H new ATOM 0 HE2 LYS A 117 -3.909 25.006 -6.844 1.00 10.00 H new ATOM 0 HE3 LYS A 117 -3.241 25.098 -5.226 1.00 10.00 H new ATOM 0 HZ1 LYS A 117 -4.226 27.168 -5.887 1.00 70.24 H new ATOM 0 HZ2 LYS A 117 -2.554 27.365 -5.669 1.00 70.24 H new ATOM 0 HZ3 LYS A 117 -3.201 27.276 -7.236 1.00 70.24 H new ATOM 1709 N ALA A 118 -0.452 21.258 -2.801 1.00 5.14 N ATOM 1710 CA ALA A 118 -1.038 20.632 -1.612 1.00 11.31 C ATOM 1711 C ALA A 118 -0.003 20.373 -0.504 1.00 62.33 C ATOM 1712 O ALA A 118 1.193 20.599 -0.709 1.00 10.24 O ATOM 1713 CB ALA A 118 -1.790 19.355 -2.033 1.00 45.43 C ATOM 0 H ALA A 118 -0.251 20.590 -3.545 1.00 5.14 H new ATOM 0 HA ALA A 118 -1.751 21.327 -1.168 1.00 11.31 H new ATOM 0 HB1 ALA A 118 -2.228 18.884 -1.153 1.00 45.43 H new ATOM 0 HB2 ALA A 118 -2.580 19.614 -2.738 1.00 45.43 H new ATOM 0 HB3 ALA A 118 -1.094 18.662 -2.506 1.00 45.43 H new ATOM 1719 N SER A 119 -0.450 19.899 0.668 1.00 52.44 N ATOM 1720 CA SER A 119 0.414 19.664 1.822 1.00 53.33 C ATOM 1721 C SER A 119 1.492 18.625 1.533 1.00 65.33 C ATOM 1722 O SER A 119 1.288 17.625 0.845 1.00 34.52 O ATOM 1723 CB SER A 119 -0.386 19.198 3.045 1.00 42.33 C ATOM 1724 OG SER A 119 -1.440 20.092 3.341 1.00 34.13 O ATOM 0 H SER A 119 -1.429 19.668 0.838 1.00 52.44 H new ATOM 0 HA SER A 119 0.887 20.623 2.034 1.00 53.33 H new ATOM 0 HB2 SER A 119 -0.791 18.203 2.859 1.00 42.33 H new ATOM 0 HB3 SER A 119 0.277 19.116 3.906 1.00 42.33 H new ATOM 0 HG SER A 119 -1.933 19.769 4.124 1.00 34.13 H new ATOM 1729 N ARG A 120 2.630 18.818 2.187 1.00 63.44 N ATOM 1730 CA ARG A 120 3.776 17.939 2.199 1.00 33.22 C ATOM 1731 C ARG A 120 4.008 17.703 3.680 1.00 5.22 C ATOM 1732 O ARG A 120 4.716 18.465 4.340 1.00 21.22 O ATOM 1733 CB ARG A 120 5.010 18.545 1.481 1.00 34.10 C ATOM 1734 CG ARG A 120 4.729 19.213 0.117 1.00 12.41 C ATOM 1735 CD ARG A 120 4.888 20.740 0.151 1.00 32.34 C ATOM 1736 NE ARG A 120 4.044 21.380 1.177 1.00 64.33 N ATOM 1737 CZ ARG A 120 3.369 22.527 1.078 1.00 61.25 C ATOM 1738 NH1 ARG A 120 3.215 23.135 -0.091 1.00 71.24 N ATOM 1739 NH2 ARG A 120 2.846 23.055 2.177 1.00 21.30 N ATOM 0 H ARG A 120 2.780 19.649 2.759 1.00 63.44 H new ATOM 0 HA ARG A 120 3.606 17.015 1.646 1.00 33.22 H new ATOM 0 HB2 ARG A 120 5.464 19.284 2.140 1.00 34.10 H new ATOM 0 HB3 ARG A 120 5.746 17.755 1.333 1.00 34.10 H new ATOM 0 HG2 ARG A 120 5.407 18.800 -0.630 1.00 12.41 H new ATOM 0 HG3 ARG A 120 3.716 18.966 -0.200 1.00 12.41 H new ATOM 0 HD2 ARG A 120 5.932 20.988 0.340 1.00 32.34 H new ATOM 0 HD3 ARG A 120 4.635 21.149 -0.827 1.00 32.34 H new ATOM 0 HE ARG A 120 3.967 20.888 2.067 1.00 64.33 H new ATOM 0 HH11 ARG A 120 3.616 22.726 -0.935 1.00 71.24 H new ATOM 0 HH12 ARG A 120 2.696 24.011 -0.146 1.00 71.24 H new ATOM 0 HH21 ARG A 120 2.964 22.585 3.075 1.00 21.30 H new ATOM 0 HH22 ARG A 120 2.326 23.931 2.124 1.00 21.30 H new ATOM 1750 N GLU A 121 3.275 16.758 4.250 1.00 54.35 N ATOM 1751 CA GLU A 121 3.709 16.102 5.475 1.00 4.01 C ATOM 1752 C GLU A 121 5.109 15.509 5.260 1.00 71.44 C ATOM 1753 O GLU A 121 5.529 15.324 4.111 1.00 21.52 O ATOM 1754 CB GLU A 121 2.708 15.009 5.864 1.00 14.43 C ATOM 1755 CG GLU A 121 1.381 15.549 6.395 1.00 63.35 C ATOM 1756 CD GLU A 121 1.518 16.612 7.498 1.00 12.34 C ATOM 1757 OE1 GLU A 121 2.425 16.500 8.356 1.00 65.12 O ATOM 1758 OE2 GLU A 121 0.695 17.556 7.478 1.00 64.31 O ATOM 0 H GLU A 121 2.381 16.429 3.886 1.00 54.35 H new ATOM 0 HA GLU A 121 3.753 16.827 6.288 1.00 4.01 H new ATOM 0 HB2 GLU A 121 2.512 14.382 4.994 1.00 14.43 H new ATOM 0 HB3 GLU A 121 3.159 14.370 6.623 1.00 14.43 H new ATOM 0 HG2 GLU A 121 0.819 15.976 5.564 1.00 63.35 H new ATOM 0 HG3 GLU A 121 0.794 14.716 6.782 1.00 63.35 H new ATOM 1763 N PRO A 122 5.861 15.245 6.335 1.00 61.23 N ATOM 1764 CA PRO A 122 7.172 14.631 6.234 1.00 63.55 C ATOM 1765 C PRO A 122 7.024 13.187 5.759 1.00 71.21 C ATOM 1766 O PRO A 122 5.993 12.557 5.972 1.00 32.23 O ATOM 1767 CB PRO A 122 7.780 14.729 7.637 1.00 21.10 C ATOM 1768 CG PRO A 122 6.566 14.813 8.560 1.00 63.14 C ATOM 1769 CD PRO A 122 5.487 15.475 7.714 1.00 25.41 C ATOM 0 HA PRO A 122 7.820 15.124 5.509 1.00 63.55 H new ATOM 0 HB2 PRO A 122 8.397 13.860 7.866 1.00 21.10 H new ATOM 0 HB3 PRO A 122 8.418 15.607 7.735 1.00 21.10 H new ATOM 0 HG2 PRO A 122 6.255 13.824 8.897 1.00 63.14 H new ATOM 0 HG3 PRO A 122 6.786 15.399 9.452 1.00 63.14 H new ATOM 0 HD2 PRO A 122 4.507 15.048 7.928 1.00 25.41 H new ATOM 0 HD3 PRO A 122 5.424 16.542 7.928 1.00 25.41 H new