USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 120:sc= -0.625 USER MOD Set 1.2: A 80 MET CE :methyl -112:sc= -1.23 (180deg=-5.51!) USER MOD Set 2.1: A 19 THR OG1 : rot -165:sc= -2.56 USER MOD Set 2.2: A 31 ASN : amide:sc= -2.57! C(o=-5.1!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.0409 (180deg=-0.399) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.594 USER MOD Single : A 16 GLN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0192) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.304 (180deg=-0.875) USER MOD Single : A 28 THR OG1 : rot -50:sc= -2.01! USER MOD Single : A 33 HIS : no HE2:sc= -0.0174 K(o=-0.017,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -0.0735 (180deg=-0.114) USER MOD Single : A 40 THR OG1 : rot 130:sc= 1.21 USER MOD Single : A 42 GLN : amide:sc= -1.01 X(o=-1,f=-0.73) USER MOD Single : A 46 TYR OH : rot 152:sc= 0.666 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -3.64! USER MOD Single : A 49 THR OG1 : rot -99:sc= 1.15 USER MOD Single : A 52 ASN :FLIP amide:sc= 0.925 F(o=-1.9,f=0.93) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.44) USER MOD Single : A 54 ASN : amide:sc=-0.00926 X(o=-0.0093,f=-0.009) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -79:sc= -0.616 USER MOD Single : A 65 MET CE :methyl 138:sc= -2.09! (180deg=-4.23!) USER MOD Single : A 70 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.6) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.00176) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 108:sc= 0.926 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -1.36 (180deg=-2.07) USER MOD Single : A 86 LYS NZ :NH3+ 140:sc= -0.364 (180deg=-1.33!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 15:sc= -1.36 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= -0.0457 (180deg=-0.387) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 500 HEC O2A : rot 17:sc= -0.324 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.314 0.540 -0.606 1.00 24.45 N ATOM 2 CA GLY A 1 2.443 0.169 -1.442 1.00 4.32 C ATOM 3 C GLY A 1 2.088 -1.007 -2.353 1.00 34.12 C ATOM 4 O GLY A 1 2.412 -2.154 -2.049 1.00 52.20 O ATOM 0 H1 GLY A 1 1.581 1.340 0.003 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.512 0.815 -1.208 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.040 -0.270 -0.013 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.748 1.023 -2.047 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.293 -0.097 -0.814 1.00 4.32 H new ATOM 8 N ASP A 2 1.424 -0.681 -3.454 1.00 42.55 N ATOM 9 CA ASP A 2 1.021 -1.696 -4.412 1.00 3.31 C ATOM 10 C ASP A 2 2.234 -2.553 -4.782 1.00 4.41 C ATOM 11 O ASP A 2 3.216 -2.044 -5.320 1.00 51.34 O ATOM 12 CB ASP A 2 0.482 -1.061 -5.695 1.00 52.41 C ATOM 13 CG ASP A 2 -0.902 -0.422 -5.567 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.051 0.805 -5.670 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.867 -1.251 -5.352 1.00 63.42 O1- ATOM 0 H ASP A 2 1.156 0.271 -3.703 1.00 42.55 H new ATOM 0 HA ASP A 2 0.238 -2.300 -3.953 1.00 3.31 H new ATOM 0 HB2 ASP A 2 1.187 -0.301 -6.030 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.443 -1.824 -6.472 1.00 52.41 H new ATOM 21 N VAL A 3 2.125 -3.838 -4.480 1.00 75.13 N ATOM 22 CA VAL A 3 3.201 -4.770 -4.775 1.00 75.34 C ATOM 23 C VAL A 3 3.161 -5.134 -6.260 1.00 13.43 C ATOM 24 O VAL A 3 4.205 -5.260 -6.900 1.00 74.44 O ATOM 25 CB VAL A 3 3.102 -5.990 -3.858 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.575 -5.596 -2.477 1.00 34.45 C ATOM 27 CG2 VAL A 3 2.232 -7.080 -4.486 1.00 44.44 C ATOM 0 H VAL A 3 1.309 -4.256 -4.034 1.00 75.13 H new ATOM 0 HA VAL A 3 4.170 -4.310 -4.579 1.00 75.34 H new ATOM 0 HB VAL A 3 4.106 -6.395 -3.731 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.514 -6.482 -1.845 1.00 34.45 H new ATOM 0 HG12 VAL A 3 3.251 -4.871 -2.023 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.584 -5.154 -2.578 1.00 34.45 H new ATOM 0 HG21 VAL A 3 2.179 -7.936 -3.813 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.229 -6.691 -4.658 1.00 44.44 H new ATOM 0 HG23 VAL A 3 2.668 -7.392 -5.435 1.00 44.44 H new ATOM 37 N GLU A 4 1.947 -5.293 -6.766 1.00 51.25 N ATOM 38 CA GLU A 4 1.759 -5.641 -8.164 1.00 54.55 C ATOM 39 C GLU A 4 2.597 -4.724 -9.057 1.00 41.14 C ATOM 40 O GLU A 4 3.422 -5.196 -9.837 1.00 54.03 O ATOM 41 CB GLU A 4 0.279 -5.579 -8.550 1.00 30.12 C ATOM 42 CG GLU A 4 -0.504 -6.724 -7.907 1.00 30.34 C ATOM 43 CD GLU A 4 -0.234 -8.046 -8.629 1.00 64.34 C ATOM 44 OE1 GLU A 4 -1.087 -8.518 -9.396 1.00 52.43 O ATOM 45 OE2 GLU A 4 0.909 -8.585 -8.371 1.00 73.12 O1- ATOM 0 H GLU A 4 1.084 -5.187 -6.233 1.00 51.25 H new ATOM 0 HA GLU A 4 2.097 -6.667 -8.311 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.143 -4.624 -8.236 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.180 -5.630 -9.634 1.00 30.12 H new ATOM 0 HG2 GLU A 4 -0.225 -6.815 -6.857 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -1.571 -6.501 -7.936 1.00 30.34 H new ATOM 53 N LYS A 5 2.355 -3.429 -8.913 1.00 75.51 N ATOM 54 CA LYS A 5 3.078 -2.442 -9.697 1.00 13.03 C ATOM 55 C LYS A 5 4.577 -2.742 -9.633 1.00 44.51 C ATOM 56 O LYS A 5 5.330 -2.360 -10.527 1.00 62.31 O ATOM 57 CB LYS A 5 2.715 -1.026 -9.242 1.00 32.11 C ATOM 58 CG LYS A 5 1.468 -0.520 -9.970 1.00 40.51 C ATOM 59 CD LYS A 5 0.318 -1.523 -9.851 1.00 51.43 C ATOM 60 CE LYS A 5 -0.951 -0.982 -10.512 1.00 34.33 C ATOM 61 NZ LYS A 5 -0.677 -0.575 -11.908 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.669 -3.041 -8.266 1.00 75.51 H new ATOM 0 HA LYS A 5 2.786 -2.501 -10.745 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.540 -1.019 -8.166 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.551 -0.353 -9.434 1.00 32.11 H new ATOM 0 HG2 LYS A 5 1.163 0.439 -9.552 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.700 -0.351 -11.021 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.603 -2.465 -10.319 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.123 -1.735 -8.800 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.730 -1.745 -10.496 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.328 -0.130 -9.946 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -1.576 -0.453 -12.417 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -0.153 0.323 -11.911 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.109 -1.309 -12.378 1.00 61.11 H new ATOM 74 N GLY A 6 4.965 -3.425 -8.565 1.00 33.14 N ATOM 75 CA GLY A 6 6.360 -3.782 -8.372 1.00 41.25 C ATOM 76 C GLY A 6 6.635 -5.207 -8.857 1.00 61.35 C ATOM 77 O GLY A 6 7.765 -5.540 -9.207 1.00 72.04 O ATOM 0 H GLY A 6 4.338 -3.740 -7.825 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.996 -3.081 -8.913 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.618 -3.698 -7.316 1.00 41.25 H new ATOM 81 N LYS A 7 5.580 -6.008 -8.861 1.00 54.25 N ATOM 82 CA LYS A 7 5.693 -7.390 -9.298 1.00 13.43 C ATOM 83 C LYS A 7 6.081 -7.423 -10.777 1.00 11.22 C ATOM 84 O LYS A 7 6.863 -8.275 -11.199 1.00 40.24 O ATOM 85 CB LYS A 7 4.407 -8.159 -8.983 1.00 12.01 C ATOM 86 CG LYS A 7 4.497 -9.603 -9.477 1.00 61.14 C ATOM 87 CD LYS A 7 5.228 -10.485 -8.463 1.00 21.42 C ATOM 88 CE LYS A 7 4.908 -11.964 -8.688 1.00 53.44 C ATOM 89 NZ LYS A 7 3.701 -12.355 -7.925 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.644 -5.727 -8.569 1.00 54.25 H new ATOM 0 HA LYS A 7 6.485 -7.899 -8.748 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.227 -8.149 -7.908 1.00 12.01 H new ATOM 0 HB3 LYS A 7 3.558 -7.662 -9.453 1.00 12.01 H new ATOM 0 HG2 LYS A 7 3.495 -9.995 -9.650 1.00 61.14 H new ATOM 0 HG3 LYS A 7 5.020 -9.632 -10.433 1.00 61.14 H new ATOM 0 HD2 LYS A 7 6.303 -10.326 -8.546 1.00 21.42 H new ATOM 0 HD3 LYS A 7 4.940 -10.197 -7.452 1.00 21.42 H new ATOM 0 HE2 LYS A 7 4.750 -12.151 -9.750 1.00 53.44 H new ATOM 0 HE3 LYS A 7 5.755 -12.577 -8.379 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 3.498 -13.362 -8.089 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 3.865 -12.195 -6.910 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 2.891 -11.783 -8.239 1.00 74.43 H new ATOM 102 N LYS A 8 5.518 -6.485 -11.525 1.00 45.33 N ATOM 103 CA LYS A 8 5.797 -6.397 -12.949 1.00 12.01 C ATOM 104 C LYS A 8 7.165 -5.745 -13.156 1.00 54.24 C ATOM 105 O LYS A 8 8.017 -6.293 -13.855 1.00 40.24 O ATOM 106 CB LYS A 8 4.658 -5.678 -13.674 1.00 14.42 C ATOM 107 CG LYS A 8 3.446 -6.599 -13.842 1.00 34.03 C ATOM 108 CD LYS A 8 3.222 -7.444 -12.586 1.00 33.34 C ATOM 109 CE LYS A 8 1.924 -8.247 -12.692 1.00 60.43 C ATOM 110 NZ LYS A 8 2.145 -9.493 -13.460 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.871 -5.780 -11.172 1.00 45.33 H new ATOM 0 HA LYS A 8 5.847 -7.393 -13.390 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.369 -4.789 -13.113 1.00 14.42 H new ATOM 0 HB3 LYS A 8 5.001 -5.340 -14.652 1.00 14.42 H new ATOM 0 HG2 LYS A 8 2.557 -6.003 -14.047 1.00 34.03 H new ATOM 0 HG3 LYS A 8 3.597 -7.252 -14.702 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.063 -8.122 -12.445 1.00 33.34 H new ATOM 0 HD3 LYS A 8 3.183 -6.797 -11.710 1.00 33.34 H new ATOM 0 HE2 LYS A 8 1.557 -8.488 -11.695 1.00 60.43 H new ATOM 0 HE3 LYS A 8 1.156 -7.645 -13.178 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 1.254 -10.025 -13.522 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 2.474 -9.257 -14.418 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 2.862 -10.074 -12.981 1.00 31.43 H new ATOM 123 N ILE A 9 7.334 -4.586 -12.537 1.00 72.22 N ATOM 124 CA ILE A 9 8.584 -3.854 -12.646 1.00 63.35 C ATOM 125 C ILE A 9 9.725 -4.718 -12.103 1.00 74.32 C ATOM 126 O ILE A 9 10.879 -4.543 -12.489 1.00 34.45 O ATOM 127 CB ILE A 9 8.467 -2.490 -11.964 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.363 -1.648 -12.606 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.814 -1.763 -11.958 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.860 -0.574 -11.640 1.00 3.44 C ATOM 0 H ILE A 9 6.625 -4.136 -11.958 1.00 72.22 H new ATOM 0 HA ILE A 9 8.813 -3.643 -13.691 1.00 63.35 H new ATOM 0 HB ILE A 9 8.184 -2.651 -10.924 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.741 -1.177 -13.514 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.535 -2.292 -12.902 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.703 -0.796 -11.467 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.548 -2.362 -11.419 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.151 -1.613 -12.984 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.076 0.010 -12.122 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.460 -1.049 -10.744 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.685 0.083 -11.365 1.00 3.44 H new ATOM 142 N PHE A 10 9.360 -5.632 -11.215 1.00 22.51 N ATOM 143 CA PHE A 10 10.339 -6.524 -10.615 1.00 30.30 C ATOM 144 C PHE A 10 10.929 -7.472 -11.660 1.00 54.03 C ATOM 145 O PHE A 10 12.085 -7.880 -11.549 1.00 62.33 O ATOM 146 CB PHE A 10 9.602 -7.346 -9.555 1.00 71.01 C ATOM 147 CG PHE A 10 10.283 -8.674 -9.216 1.00 62.01 C ATOM 148 CD1 PHE A 10 11.481 -8.680 -8.574 1.00 53.24 C ATOM 149 CD2 PHE A 10 9.687 -9.848 -9.555 1.00 65.44 C ATOM 150 CE1 PHE A 10 12.112 -9.913 -8.259 1.00 45.31 C ATOM 151 CE2 PHE A 10 10.318 -11.081 -9.241 1.00 63.41 C ATOM 152 CZ PHE A 10 11.517 -11.088 -8.599 1.00 72.24 C ATOM 0 H PHE A 10 8.401 -5.774 -10.897 1.00 22.51 H new ATOM 0 HA PHE A 10 11.157 -5.946 -10.186 1.00 30.30 H new ATOM 0 HB2 PHE A 10 9.513 -6.752 -8.645 1.00 71.01 H new ATOM 0 HB3 PHE A 10 8.589 -7.547 -9.904 1.00 71.01 H new ATOM 0 HD1 PHE A 10 11.953 -7.747 -8.303 1.00 53.24 H new ATOM 0 HD2 PHE A 10 8.734 -9.843 -10.063 1.00 65.44 H new ATOM 0 HE1 PHE A 10 13.064 -9.918 -7.750 1.00 45.31 H new ATOM 0 HE2 PHE A 10 9.846 -12.014 -9.512 1.00 63.41 H new ATOM 0 HZ PHE A 10 11.996 -12.026 -8.359 1.00 72.24 H new ATOM 162 N ILE A 11 10.111 -7.795 -12.650 1.00 5.51 N ATOM 163 CA ILE A 11 10.539 -8.686 -13.714 1.00 1.20 C ATOM 164 C ILE A 11 11.343 -7.895 -14.747 1.00 50.30 C ATOM 165 O ILE A 11 12.558 -8.061 -14.854 1.00 63.10 O ATOM 166 CB ILE A 11 9.339 -9.428 -14.306 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.648 -10.288 -13.246 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.751 -10.248 -15.530 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.293 -10.792 -13.746 1.00 31.21 C ATOM 0 H ILE A 11 9.153 -7.455 -12.738 1.00 5.51 H new ATOM 0 HA ILE A 11 11.200 -9.458 -13.320 1.00 1.20 H new ATOM 0 HB ILE A 11 8.613 -8.688 -14.643 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.283 -11.136 -12.990 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.510 -9.707 -12.334 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.880 -10.765 -15.931 1.00 74.44 H new ATOM 0 HG22 ILE A 11 10.162 -9.584 -16.291 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.506 -10.979 -15.241 1.00 74.44 H new ATOM 0 HD11 ILE A 11 6.823 -11.401 -12.973 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.652 -9.942 -13.978 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.437 -11.393 -14.644 1.00 31.21 H new ATOM 181 N MET A 12 10.633 -7.049 -15.480 1.00 24.33 N ATOM 182 CA MET A 12 11.266 -6.231 -16.500 1.00 1.20 C ATOM 183 C MET A 12 12.627 -5.719 -16.026 1.00 33.53 C ATOM 184 O MET A 12 13.538 -5.531 -16.832 1.00 42.35 O ATOM 185 CB MET A 12 10.362 -5.041 -16.834 1.00 60.40 C ATOM 186 CG MET A 12 9.247 -5.454 -17.797 1.00 23.04 C ATOM 187 SD MET A 12 9.949 -5.989 -19.348 1.00 15.25 S ATOM 188 CE MET A 12 8.988 -7.468 -19.629 1.00 65.42 C ATOM 0 H MET A 12 9.626 -6.913 -15.387 1.00 24.33 H new ATOM 0 HA MET A 12 11.418 -6.845 -17.388 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.927 -4.642 -15.918 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.955 -4.243 -17.280 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.656 -6.258 -17.359 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.570 -4.616 -17.964 1.00 23.04 H new ATOM 0 HE1 MET A 12 9.300 -7.932 -20.565 1.00 65.42 H new ATOM 0 HE2 MET A 12 9.146 -8.166 -18.807 1.00 65.42 H new ATOM 0 HE3 MET A 12 7.931 -7.209 -19.687 1.00 65.42 H new ATOM 198 N LYS A 13 12.725 -5.509 -14.722 1.00 62.15 N ATOM 199 CA LYS A 13 13.960 -5.024 -14.132 1.00 62.04 C ATOM 200 C LYS A 13 14.744 -6.204 -13.555 1.00 3.45 C ATOM 201 O LYS A 13 15.968 -6.249 -13.658 1.00 2.42 O ATOM 202 CB LYS A 13 13.669 -3.921 -13.111 1.00 42.23 C ATOM 203 CG LYS A 13 12.774 -2.837 -13.714 1.00 64.41 C ATOM 204 CD LYS A 13 13.606 -1.796 -14.468 1.00 24.41 C ATOM 205 CE LYS A 13 13.889 -2.254 -15.900 1.00 3.12 C ATOM 206 NZ LYS A 13 14.015 -1.087 -16.801 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.968 -5.666 -14.057 1.00 62.15 H new ATOM 0 HA LYS A 13 14.590 -4.565 -14.893 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.185 -4.351 -12.234 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.606 -3.478 -12.773 1.00 42.23 H new ATOM 0 HG2 LYS A 13 12.052 -3.292 -14.393 1.00 64.41 H new ATOM 0 HG3 LYS A 13 12.204 -2.349 -12.923 1.00 64.41 H new ATOM 0 HD2 LYS A 13 13.075 -0.844 -14.485 1.00 24.41 H new ATOM 0 HD3 LYS A 13 14.547 -1.628 -13.944 1.00 24.41 H new ATOM 0 HE2 LYS A 13 14.807 -2.842 -15.926 1.00 3.12 H new ATOM 0 HE3 LYS A 13 13.085 -2.903 -16.246 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 14.207 -1.415 -17.769 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 13.129 -0.542 -16.789 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 14.798 -0.483 -16.479 1.00 43.44 H new ATOM 219 N CYS A 14 14.005 -7.131 -12.963 1.00 12.24 N ATOM 220 CA CYS A 14 14.616 -8.309 -12.371 1.00 32.54 C ATOM 221 C CYS A 14 13.824 -9.537 -12.822 1.00 32.32 C ATOM 222 O CYS A 14 12.980 -10.042 -12.083 1.00 22.25 O ATOM 223 CB CYS A 14 14.686 -8.203 -10.846 1.00 14.53 C ATOM 224 SG CYS A 14 14.774 -6.493 -10.199 1.00 23.33 S ATOM 0 H CYS A 14 12.989 -7.090 -12.881 1.00 12.24 H new ATOM 0 HA CYS A 14 15.648 -8.398 -12.711 1.00 32.54 H new ATOM 0 HB2 CYS A 14 13.810 -8.693 -10.421 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.559 -8.754 -10.497 1.00 14.53 H new ATOM 229 N SER A 15 14.125 -9.984 -14.032 1.00 63.31 N ATOM 230 CA SER A 15 13.452 -11.145 -14.590 1.00 52.21 C ATOM 231 C SER A 15 14.099 -12.429 -14.064 1.00 14.32 C ATOM 232 O SER A 15 13.644 -12.995 -13.071 1.00 24.42 O ATOM 233 CB SER A 15 13.488 -11.121 -16.119 1.00 24.11 C ATOM 234 OG SER A 15 14.806 -10.911 -16.618 1.00 62.04 O ATOM 0 H SER A 15 14.826 -9.563 -14.642 1.00 63.31 H new ATOM 0 HA SER A 15 12.408 -11.117 -14.278 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.100 -12.063 -16.506 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.832 -10.331 -16.485 1.00 24.11 H new ATOM 0 HG SER A 15 14.788 -10.904 -17.598 1.00 62.04 H new ATOM 240 N GLN A 16 15.149 -12.848 -14.753 1.00 3.25 N ATOM 241 CA GLN A 16 15.864 -14.054 -14.368 1.00 0.11 C ATOM 242 C GLN A 16 17.271 -13.705 -13.881 1.00 64.21 C ATOM 243 O GLN A 16 18.261 -14.171 -14.445 1.00 52.24 O ATOM 244 CB GLN A 16 15.916 -15.053 -15.525 1.00 55.01 C ATOM 245 CG GLN A 16 16.039 -14.331 -16.868 1.00 51.45 C ATOM 246 CD GLN A 16 16.301 -15.325 -18.002 1.00 65.25 C ATOM 247 OE1 GLN A 16 15.460 -16.133 -18.360 1.00 12.42 O ATOM 248 NE2 GLN A 16 17.510 -15.219 -18.546 1.00 43.12 N ATOM 0 H GLN A 16 15.523 -12.375 -15.576 1.00 3.25 H new ATOM 0 HA GLN A 16 15.324 -14.526 -13.547 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.763 -15.726 -15.391 1.00 55.01 H new ATOM 0 HB3 GLN A 16 15.016 -15.668 -15.520 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.124 -13.775 -17.071 1.00 51.45 H new ATOM 0 HG3 GLN A 16 16.850 -13.604 -16.822 1.00 51.45 H new ATOM 0 HE21 GLN A 16 18.166 -14.520 -18.198 1.00 43.12 H new ATOM 0 HE22 GLN A 16 17.781 -15.837 -19.311 1.00 43.12 H new ATOM 257 N CYS A 17 17.317 -12.886 -12.841 1.00 41.41 N ATOM 258 CA CYS A 17 18.588 -12.468 -12.272 1.00 75.41 C ATOM 259 C CYS A 17 18.516 -12.646 -10.755 1.00 51.53 C ATOM 260 O CYS A 17 19.404 -13.251 -10.154 1.00 52.44 O ATOM 261 CB CYS A 17 18.937 -11.031 -12.663 1.00 31.53 C ATOM 262 SG CYS A 17 20.013 -10.876 -14.135 1.00 22.31 S ATOM 0 H CYS A 17 16.495 -12.500 -12.377 1.00 41.41 H new ATOM 0 HA CYS A 17 19.390 -13.088 -12.672 1.00 75.41 H new ATOM 0 HB2 CYS A 17 18.012 -10.485 -12.847 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.429 -10.549 -11.818 1.00 31.53 H new ATOM 267 N HIS A 18 17.452 -12.108 -10.177 1.00 64.33 N ATOM 268 CA HIS A 18 17.253 -12.199 -8.740 1.00 50.04 C ATOM 269 C HIS A 18 16.050 -13.096 -8.445 1.00 45.23 C ATOM 270 O HIS A 18 15.276 -13.419 -9.345 1.00 13.43 O ATOM 271 CB HIS A 18 17.122 -10.807 -8.120 1.00 30.21 C ATOM 272 CG HIS A 18 18.424 -10.045 -8.042 1.00 12.01 C ATOM 273 ND1 HIS A 18 19.508 -10.488 -7.304 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.804 -8.868 -8.616 1.00 63.45 C ATOM 275 CE1 HIS A 18 20.490 -9.607 -7.435 1.00 1.34 C ATOM 276 NE2 HIS A 18 20.052 -8.604 -8.248 1.00 4.41 N ATOM 0 H HIS A 18 16.718 -11.607 -10.678 1.00 64.33 H new ATOM 0 HA HIS A 18 18.126 -12.658 -8.276 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.407 -10.226 -8.703 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.709 -10.905 -7.116 1.00 30.21 H new ATOM 0 HD1 HIS A 18 19.545 -11.346 -6.753 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.193 -8.254 -9.261 1.00 63.45 H new ATOM 0 HE1 HIS A 18 21.466 -9.672 -6.978 1.00 1.34 H new ATOM 284 N THR A 19 15.928 -13.471 -7.180 1.00 3.13 N ATOM 285 CA THR A 19 14.830 -14.323 -6.754 1.00 10.30 C ATOM 286 C THR A 19 14.235 -13.810 -5.442 1.00 53.54 C ATOM 287 O THR A 19 14.761 -12.875 -4.841 1.00 63.55 O ATOM 288 CB THR A 19 15.354 -15.758 -6.664 1.00 22.40 C ATOM 289 OG1 THR A 19 16.570 -15.638 -5.932 1.00 12.31 O ATOM 290 CG2 THR A 19 15.790 -16.309 -8.024 1.00 53.02 C ATOM 0 H THR A 19 16.571 -13.201 -6.436 1.00 3.13 H new ATOM 0 HA THR A 19 14.012 -14.304 -7.474 1.00 10.30 H new ATOM 0 HB THR A 19 14.581 -16.401 -6.243 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.095 -16.459 -6.034 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.153 -17.330 -7.904 1.00 53.02 H new ATOM 0 HG22 THR A 19 14.941 -16.304 -8.708 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.587 -15.686 -8.431 1.00 53.02 H new ATOM 298 N VAL A 20 13.145 -14.445 -5.036 1.00 23.12 N ATOM 299 CA VAL A 20 12.472 -14.064 -3.806 1.00 24.13 C ATOM 300 C VAL A 20 12.050 -15.326 -3.049 1.00 41.42 C ATOM 301 O VAL A 20 12.340 -15.468 -1.863 1.00 25.44 O ATOM 302 CB VAL A 20 11.299 -13.133 -4.117 1.00 32.22 C ATOM 303 CG1 VAL A 20 11.780 -11.861 -4.819 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.235 -13.850 -4.951 1.00 12.44 C ATOM 0 H VAL A 20 12.711 -15.221 -5.537 1.00 23.12 H new ATOM 0 HA VAL A 20 13.148 -13.506 -3.158 1.00 24.13 H new ATOM 0 HB VAL A 20 10.843 -12.842 -3.171 1.00 32.22 H new ATOM 0 HG11 VAL A 20 10.927 -11.216 -5.029 1.00 62.12 H new ATOM 0 HG12 VAL A 20 12.483 -11.334 -4.175 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.273 -12.126 -5.754 1.00 62.12 H new ATOM 0 HG21 VAL A 20 9.412 -13.165 -5.158 1.00 12.44 H new ATOM 0 HG22 VAL A 20 10.674 -14.184 -5.891 1.00 12.44 H new ATOM 0 HG23 VAL A 20 9.860 -14.712 -4.399 1.00 12.44 H new ATOM 314 N GLU A 21 11.371 -16.208 -3.768 1.00 11.10 N ATOM 315 CA GLU A 21 10.906 -17.452 -3.179 1.00 25.04 C ATOM 316 C GLU A 21 11.960 -18.015 -2.223 1.00 12.30 C ATOM 317 O GLU A 21 13.048 -18.398 -2.649 1.00 52.20 O ATOM 318 CB GLU A 21 10.550 -18.472 -4.264 1.00 44.12 C ATOM 319 CG GLU A 21 11.794 -18.904 -5.040 1.00 55.24 C ATOM 320 CD GLU A 21 11.437 -19.298 -6.475 1.00 31.53 C ATOM 321 OE1 GLU A 21 12.032 -18.772 -7.428 1.00 42.20 O ATOM 322 OE2 GLU A 21 10.506 -20.183 -6.581 1.00 50.23 O1- ATOM 0 H GLU A 21 11.132 -16.086 -4.752 1.00 11.10 H new ATOM 0 HA GLU A 21 10.001 -17.245 -2.608 1.00 25.04 H new ATOM 0 HB2 GLU A 21 10.080 -19.344 -3.808 1.00 44.12 H new ATOM 0 HB3 GLU A 21 9.821 -18.039 -4.950 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.520 -18.091 -5.052 1.00 55.24 H new ATOM 0 HG3 GLU A 21 12.268 -19.746 -4.535 1.00 55.24 H new ATOM 330 N LYS A 22 11.600 -18.046 -0.949 1.00 73.14 N ATOM 331 CA LYS A 22 12.501 -18.554 0.071 1.00 13.40 C ATOM 332 C LYS A 22 13.096 -19.884 -0.397 1.00 71.42 C ATOM 333 O LYS A 22 14.297 -20.113 -0.261 1.00 40.23 O ATOM 334 CB LYS A 22 11.787 -18.642 1.422 1.00 60.13 C ATOM 335 CG LYS A 22 10.372 -19.203 1.259 1.00 54.23 C ATOM 336 CD LYS A 22 10.173 -20.447 2.126 1.00 32.02 C ATOM 337 CE LYS A 22 9.125 -21.379 1.515 1.00 72.12 C ATOM 338 NZ LYS A 22 7.795 -20.729 1.505 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.696 -17.727 -0.599 1.00 73.14 H new ATOM 0 HA LYS A 22 13.333 -17.866 0.220 1.00 13.40 H new ATOM 0 HB2 LYS A 22 12.358 -19.278 2.099 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.740 -17.653 1.878 1.00 60.13 H new ATOM 0 HG2 LYS A 22 9.641 -18.443 1.535 1.00 54.23 H new ATOM 0 HG3 LYS A 22 10.194 -19.452 0.213 1.00 54.23 H new ATOM 0 HD2 LYS A 22 11.120 -20.977 2.230 1.00 32.02 H new ATOM 0 HD3 LYS A 22 9.862 -20.151 3.128 1.00 32.02 H new ATOM 0 HE2 LYS A 22 9.414 -21.644 0.498 1.00 72.12 H new ATOM 0 HE3 LYS A 22 9.078 -22.307 2.085 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 7.078 -21.410 1.182 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 7.559 -20.407 2.465 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 7.812 -19.913 0.861 1.00 5.33 H new ATOM 351 N GLY A 23 12.229 -20.726 -0.940 1.00 32.25 N ATOM 352 CA GLY A 23 12.653 -22.026 -1.429 1.00 1.23 C ATOM 353 C GLY A 23 13.177 -21.928 -2.863 1.00 60.40 C ATOM 354 O GLY A 23 12.782 -22.710 -3.727 1.00 40.12 O ATOM 0 H GLY A 23 11.234 -20.532 -1.052 1.00 32.25 H new ATOM 0 HA2 GLY A 23 13.432 -22.426 -0.780 1.00 1.23 H new ATOM 0 HA3 GLY A 23 11.816 -22.724 -1.391 1.00 1.23 H new ATOM 358 N GLY A 24 14.058 -20.961 -3.073 1.00 42.54 N ATOM 359 CA GLY A 24 14.640 -20.750 -4.388 1.00 13.42 C ATOM 360 C GLY A 24 16.155 -20.966 -4.358 1.00 24.43 C ATOM 361 O GLY A 24 16.709 -21.360 -3.334 1.00 31.23 O ATOM 0 H GLY A 24 14.383 -20.314 -2.354 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.186 -21.434 -5.105 1.00 13.42 H new ATOM 0 HA3 GLY A 24 14.420 -19.738 -4.729 1.00 13.42 H new ATOM 365 N LYS A 25 16.780 -20.699 -5.495 1.00 43.10 N ATOM 366 CA LYS A 25 18.220 -20.859 -5.612 1.00 25.50 C ATOM 367 C LYS A 25 18.842 -19.532 -6.049 1.00 31.53 C ATOM 368 O LYS A 25 18.129 -18.573 -6.339 1.00 63.34 O ATOM 369 CB LYS A 25 18.555 -22.030 -6.538 1.00 45.42 C ATOM 370 CG LYS A 25 18.653 -21.566 -7.994 1.00 33.12 C ATOM 371 CD LYS A 25 19.093 -22.713 -8.906 1.00 51.15 C ATOM 372 CE LYS A 25 20.583 -23.013 -8.730 1.00 20.45 C ATOM 373 NZ LYS A 25 21.059 -23.916 -9.802 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.316 -20.373 -6.343 1.00 43.10 H new ATOM 0 HA LYS A 25 18.655 -21.112 -4.645 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.499 -22.482 -6.232 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.789 -22.800 -6.449 1.00 45.42 H new ATOM 0 HG2 LYS A 25 17.687 -21.185 -8.324 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.363 -20.743 -8.070 1.00 33.12 H new ATOM 0 HD2 LYS A 25 18.510 -23.606 -8.681 1.00 51.15 H new ATOM 0 HD3 LYS A 25 18.891 -22.454 -9.945 1.00 51.15 H new ATOM 0 HE2 LYS A 25 21.152 -22.084 -8.750 1.00 20.45 H new ATOM 0 HE3 LYS A 25 20.755 -23.472 -7.756 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 22.072 -24.110 -9.668 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 20.528 -24.809 -9.765 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 20.912 -23.464 -10.727 1.00 61.34 H new ATOM 386 N HIS A 26 20.167 -19.518 -6.080 1.00 35.31 N ATOM 387 CA HIS A 26 20.894 -18.323 -6.477 1.00 31.21 C ATOM 388 C HIS A 26 21.470 -18.516 -7.881 1.00 31.35 C ATOM 389 O HIS A 26 22.101 -19.534 -8.162 1.00 63.11 O ATOM 390 CB HIS A 26 21.961 -17.969 -5.440 1.00 60.42 C ATOM 391 CG HIS A 26 21.432 -17.842 -4.031 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.873 -16.872 -3.148 1.00 53.11 N ATOM 393 CD2 HIS A 26 20.493 -18.571 -3.363 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.224 -17.021 -2.003 1.00 4.22 C ATOM 395 NE2 HIS A 26 20.369 -18.076 -2.138 1.00 45.54 N ATOM 0 H HIS A 26 20.756 -20.315 -5.837 1.00 35.31 H new ATOM 0 HA HIS A 26 20.213 -17.473 -6.516 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.738 -18.734 -5.458 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.433 -17.029 -5.726 1.00 60.42 H new ATOM 0 HD2 HIS A 26 19.943 -19.410 -3.763 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.349 -16.414 -1.118 1.00 4.22 H new ATOM 0 HE2 HIS A 26 19.739 -18.426 -1.417 1.00 45.54 H new ATOM 403 N LYS A 27 21.235 -17.522 -8.723 1.00 43.43 N ATOM 404 CA LYS A 27 21.723 -17.568 -10.091 1.00 42.03 C ATOM 405 C LYS A 27 22.704 -16.416 -10.317 1.00 2.45 C ATOM 406 O LYS A 27 23.872 -16.508 -9.942 1.00 22.32 O ATOM 407 CB LYS A 27 20.554 -17.583 -11.078 1.00 4.12 C ATOM 408 CG LYS A 27 20.151 -19.016 -11.430 1.00 44.14 C ATOM 409 CD LYS A 27 19.482 -19.076 -12.804 1.00 74.23 C ATOM 410 CE LYS A 27 18.256 -18.162 -12.856 1.00 2.05 C ATOM 411 NZ LYS A 27 17.440 -18.319 -11.632 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.713 -16.679 -8.485 1.00 43.43 H new ATOM 0 HA LYS A 27 22.271 -18.493 -10.268 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.702 -17.058 -10.646 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.833 -17.047 -11.985 1.00 4.12 H new ATOM 0 HG2 LYS A 27 21.032 -19.658 -11.422 1.00 44.14 H new ATOM 0 HG3 LYS A 27 19.469 -19.402 -10.672 1.00 44.14 H new ATOM 0 HD2 LYS A 27 20.195 -18.779 -13.573 1.00 74.23 H new ATOM 0 HD3 LYS A 27 19.185 -20.102 -13.024 1.00 74.23 H new ATOM 0 HE2 LYS A 27 18.573 -17.124 -12.958 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.655 -18.400 -13.734 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 16.451 -18.072 -11.840 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 17.489 -19.305 -11.306 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.805 -17.690 -10.888 1.00 22.44 H new ATOM 424 N THR A 28 22.194 -15.358 -10.929 1.00 45.00 N ATOM 425 CA THR A 28 23.010 -14.189 -11.209 1.00 61.12 C ATOM 426 C THR A 28 23.263 -13.394 -9.927 1.00 45.43 C ATOM 427 O THR A 28 24.338 -12.826 -9.746 1.00 2.21 O ATOM 428 CB THR A 28 22.311 -13.375 -12.301 1.00 35.30 C ATOM 429 OG1 THR A 28 21.229 -12.743 -11.624 1.00 61.25 O ATOM 430 CG2 THR A 28 21.631 -14.261 -13.347 1.00 51.31 C ATOM 0 H THR A 28 21.225 -15.286 -11.239 1.00 45.00 H new ATOM 0 HA THR A 28 23.996 -14.474 -11.576 1.00 61.12 H new ATOM 0 HB THR A 28 23.037 -12.727 -12.792 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.728 -13.412 -11.112 1.00 61.25 H new ATOM 0 HG21 THR A 28 21.151 -13.634 -14.098 1.00 51.31 H new ATOM 0 HG22 THR A 28 22.376 -14.895 -13.827 1.00 51.31 H new ATOM 0 HG23 THR A 28 20.881 -14.886 -12.862 1.00 51.31 H new ATOM 438 N GLY A 29 22.253 -13.380 -9.069 1.00 10.45 N ATOM 439 CA GLY A 29 22.351 -12.665 -7.809 1.00 52.43 C ATOM 440 C GLY A 29 21.758 -13.487 -6.664 1.00 73.33 C ATOM 441 O GLY A 29 21.167 -14.541 -6.892 1.00 12.41 O ATOM 0 H GLY A 29 21.362 -13.853 -9.223 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.396 -12.439 -7.596 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.828 -11.712 -7.886 1.00 52.43 H new ATOM 445 N PRO A 30 21.941 -12.961 -5.422 1.00 64.11 N ATOM 446 CA PRO A 30 21.431 -13.635 -4.241 1.00 53.23 C ATOM 447 C PRO A 30 19.915 -13.468 -4.125 1.00 41.02 C ATOM 448 O PRO A 30 19.368 -12.444 -4.531 1.00 1.24 O ATOM 449 CB PRO A 30 22.188 -13.015 -3.077 1.00 21.01 C ATOM 450 CG PRO A 30 22.749 -11.703 -3.598 1.00 61.15 C ATOM 451 CD PRO A 30 22.636 -11.715 -5.113 1.00 30.43 C ATOM 0 HA PRO A 30 21.587 -14.713 -4.272 1.00 53.23 H new ATOM 0 HB2 PRO A 30 21.527 -12.847 -2.226 1.00 21.01 H new ATOM 0 HB3 PRO A 30 22.987 -13.673 -2.735 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.198 -10.860 -3.181 1.00 61.15 H new ATOM 0 HG3 PRO A 30 23.789 -11.585 -3.294 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.080 -10.851 -5.476 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.619 -11.682 -5.584 1.00 30.43 H new ATOM 459 N ASN A 31 19.279 -14.491 -3.572 1.00 42.21 N ATOM 460 CA ASN A 31 17.837 -14.470 -3.398 1.00 54.23 C ATOM 461 C ASN A 31 17.460 -13.341 -2.436 1.00 24.12 C ATOM 462 O ASN A 31 18.326 -12.762 -1.783 1.00 22.02 O ATOM 463 CB ASN A 31 17.335 -15.786 -2.802 1.00 1.42 C ATOM 464 CG ASN A 31 15.858 -16.011 -3.134 1.00 33.11 C ATOM 465 OD1 ASN A 31 14.979 -15.292 -2.691 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.638 -17.047 -3.938 1.00 24.23 N ATOM 0 H ASN A 31 19.736 -15.340 -3.239 1.00 42.21 H new ATOM 0 HA ASN A 31 17.381 -14.320 -4.377 1.00 54.23 H new ATOM 0 HB2 ASN A 31 17.929 -16.614 -3.189 1.00 1.42 H new ATOM 0 HB3 ASN A 31 17.471 -15.775 -1.721 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.686 -17.281 -4.220 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.421 -17.608 -4.273 1.00 24.23 H new ATOM 473 N LEU A 32 16.166 -13.062 -2.380 1.00 74.54 N ATOM 474 CA LEU A 32 15.663 -12.013 -1.510 1.00 5.51 C ATOM 475 C LEU A 32 14.716 -12.625 -0.475 1.00 71.53 C ATOM 476 O LEU A 32 13.504 -12.656 -0.679 1.00 22.25 O ATOM 477 CB LEU A 32 15.030 -10.890 -2.333 1.00 14.14 C ATOM 478 CG LEU A 32 15.974 -9.769 -2.775 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.956 -10.265 -3.839 1.00 72.11 C ATOM 480 CD2 LEU A 32 15.188 -8.545 -3.248 1.00 23.23 C ATOM 0 H LEU A 32 15.450 -13.545 -2.923 1.00 74.54 H new ATOM 0 HA LEU A 32 16.482 -11.550 -0.960 1.00 5.51 H new ATOM 0 HB2 LEU A 32 14.577 -11.329 -3.222 1.00 14.14 H new ATOM 0 HB3 LEU A 32 14.222 -10.449 -1.749 1.00 14.14 H new ATOM 0 HG LEU A 32 16.564 -9.460 -1.912 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.615 -9.449 -4.135 1.00 72.11 H new ATOM 0 HD12 LEU A 32 17.551 -11.082 -3.432 1.00 72.11 H new ATOM 0 HD13 LEU A 32 16.402 -10.618 -4.709 1.00 72.11 H new ATOM 0 HD21 LEU A 32 15.882 -7.763 -3.556 1.00 23.23 H new ATOM 0 HD22 LEU A 32 14.556 -8.822 -4.092 1.00 23.23 H new ATOM 0 HD23 LEU A 32 14.565 -8.176 -2.434 1.00 23.23 H new ATOM 492 N HIS A 33 15.306 -13.096 0.614 1.00 14.50 N ATOM 493 CA HIS A 33 14.530 -13.705 1.682 1.00 13.44 C ATOM 494 C HIS A 33 14.729 -12.915 2.976 1.00 62.54 C ATOM 495 O HIS A 33 13.763 -12.448 3.578 1.00 23.12 O ATOM 496 CB HIS A 33 14.882 -15.186 1.832 1.00 5.43 C ATOM 497 CG HIS A 33 14.058 -15.911 2.869 1.00 22.13 C ATOM 498 ND1 HIS A 33 12.785 -15.507 3.232 1.00 13.25 N ATOM 499 CD2 HIS A 33 14.340 -17.016 3.617 1.00 23.11 C ATOM 500 CE1 HIS A 33 12.330 -16.339 4.158 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.295 -17.274 4.395 1.00 50.42 N ATOM 0 H HIS A 33 16.312 -13.068 0.780 1.00 14.50 H new ATOM 0 HA HIS A 33 13.469 -13.666 1.433 1.00 13.44 H new ATOM 0 HB2 HIS A 33 14.751 -15.679 0.869 1.00 5.43 H new ATOM 0 HB3 HIS A 33 15.936 -15.274 2.094 1.00 5.43 H new ATOM 0 HD1 HIS A 33 12.282 -14.705 2.852 1.00 13.25 H new ATOM 0 HD2 HIS A 33 15.257 -17.585 3.583 1.00 23.11 H new ATOM 0 HE1 HIS A 33 11.365 -16.286 4.640 1.00 64.43 H new ATOM 509 N GLY A 34 15.989 -12.788 3.367 1.00 75.21 N ATOM 510 CA GLY A 34 16.327 -12.063 4.580 1.00 51.24 C ATOM 511 C GLY A 34 16.854 -10.664 4.253 1.00 41.32 C ATOM 512 O GLY A 34 17.605 -10.082 5.033 1.00 23.54 O ATOM 0 H GLY A 34 16.788 -13.175 2.865 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.447 -11.984 5.218 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.079 -12.617 5.142 1.00 51.24 H new ATOM 516 N LEU A 35 16.440 -10.166 3.097 1.00 32.14 N ATOM 517 CA LEU A 35 16.861 -8.846 2.657 1.00 14.33 C ATOM 518 C LEU A 35 16.857 -7.890 3.851 1.00 14.32 C ATOM 519 O LEU A 35 17.914 -7.534 4.369 1.00 23.33 O ATOM 520 CB LEU A 35 15.998 -8.372 1.485 1.00 1.34 C ATOM 521 CG LEU A 35 16.496 -7.126 0.749 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.700 -7.457 -0.134 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.364 -6.473 -0.048 1.00 20.03 C ATOM 0 H LEU A 35 15.818 -10.652 2.452 1.00 32.14 H new ATOM 0 HA LEU A 35 17.882 -8.878 2.278 1.00 14.33 H new ATOM 0 HB2 LEU A 35 15.917 -9.187 0.766 1.00 1.34 H new ATOM 0 HB3 LEU A 35 14.993 -8.173 1.856 1.00 1.34 H new ATOM 0 HG LEU A 35 16.830 -6.400 1.491 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.035 -6.555 -0.646 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.509 -7.845 0.485 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.415 -8.208 -0.871 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.743 -5.590 -0.562 1.00 20.03 H new ATOM 0 HD22 LEU A 35 14.979 -7.182 -0.781 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.562 -6.182 0.631 1.00 20.03 H new ATOM 535 N PHE A 36 15.656 -7.500 4.253 1.00 5.35 N ATOM 536 CA PHE A 36 15.500 -6.591 5.376 1.00 22.24 C ATOM 537 C PHE A 36 16.011 -7.228 6.670 1.00 61.41 C ATOM 538 O PHE A 36 15.283 -7.966 7.333 1.00 2.04 O ATOM 539 CB PHE A 36 14.004 -6.307 5.517 1.00 52.13 C ATOM 540 CG PHE A 36 13.447 -5.360 4.452 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.135 -5.835 3.216 1.00 23.43 C ATOM 542 CD2 PHE A 36 13.265 -4.043 4.740 1.00 33.42 C ATOM 543 CE1 PHE A 36 12.618 -4.957 2.227 1.00 12.33 C ATOM 544 CE2 PHE A 36 12.750 -3.165 3.751 1.00 1.43 C ATOM 545 CZ PHE A 36 12.437 -3.640 2.516 1.00 2.54 C ATOM 0 H PHE A 36 14.781 -7.797 3.821 1.00 5.35 H new ATOM 0 HA PHE A 36 16.072 -5.680 5.200 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.460 -7.250 5.470 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.817 -5.880 6.502 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.281 -6.880 2.987 1.00 23.43 H new ATOM 0 HD2 PHE A 36 13.512 -3.666 5.721 1.00 33.42 H new ATOM 0 HE1 PHE A 36 12.369 -5.334 1.246 1.00 12.33 H new ATOM 0 HE2 PHE A 36 12.607 -2.119 3.979 1.00 1.43 H new ATOM 0 HZ PHE A 36 12.044 -2.971 1.764 1.00 2.54 H new ATOM 555 N GLY A 37 17.258 -6.919 6.993 1.00 15.13 N ATOM 556 CA GLY A 37 17.874 -7.450 8.196 1.00 44.23 C ATOM 557 C GLY A 37 19.037 -8.382 7.851 1.00 13.23 C ATOM 558 O GLY A 37 19.306 -9.341 8.575 1.00 33.14 O ATOM 0 H GLY A 37 17.859 -6.307 6.441 1.00 15.13 H new ATOM 0 HA2 GLY A 37 18.233 -6.630 8.818 1.00 44.23 H new ATOM 0 HA3 GLY A 37 17.131 -7.992 8.781 1.00 44.23 H new ATOM 562 N ARG A 38 19.696 -8.070 6.744 1.00 71.12 N ATOM 563 CA ARG A 38 20.824 -8.867 6.294 1.00 72.15 C ATOM 564 C ARG A 38 21.908 -7.966 5.699 1.00 53.24 C ATOM 565 O ARG A 38 21.736 -7.421 4.610 1.00 74.14 O ATOM 566 CB ARG A 38 20.389 -9.893 5.244 1.00 13.11 C ATOM 567 CG ARG A 38 21.593 -10.662 4.699 1.00 61.12 C ATOM 568 CD ARG A 38 21.213 -11.463 3.452 1.00 23.15 C ATOM 569 NE ARG A 38 20.252 -12.531 3.809 1.00 44.20 N ATOM 570 CZ ARG A 38 19.673 -13.358 2.914 1.00 15.22 C ATOM 571 NH1 ARG A 38 19.953 -13.248 1.598 1.00 2.45 N ATOM 572 NH2 ARG A 38 18.829 -14.277 3.344 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.470 -7.276 6.146 1.00 71.12 H new ATOM 0 HA ARG A 38 21.223 -9.396 7.160 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.677 -10.590 5.685 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.876 -9.387 4.426 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.395 -9.965 4.457 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.976 -11.336 5.466 1.00 61.12 H new ATOM 0 HD2 ARG A 38 20.773 -10.802 2.705 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.106 -11.900 3.005 1.00 23.15 H new ATOM 0 HE ARG A 38 20.013 -12.649 4.793 1.00 44.20 H new ATOM 0 HH11 ARG A 38 20.607 -12.536 1.274 1.00 2.45 H new ATOM 0 HH12 ARG A 38 19.511 -13.877 0.928 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.623 -14.354 4.340 1.00 43.34 H new ATOM 0 HH22 ARG A 38 18.383 -14.910 2.680 1.00 43.34 H new ATOM 585 N LYS A 39 22.998 -7.838 6.440 1.00 1.25 N ATOM 586 CA LYS A 39 24.109 -7.011 5.999 1.00 23.04 C ATOM 587 C LYS A 39 24.520 -7.429 4.586 1.00 30.04 C ATOM 588 O LYS A 39 23.957 -8.368 4.024 1.00 3.20 O ATOM 589 CB LYS A 39 25.253 -7.067 7.014 1.00 65.41 C ATOM 590 CG LYS A 39 26.008 -5.736 7.061 1.00 52.45 C ATOM 591 CD LYS A 39 26.562 -5.470 8.461 1.00 54.13 C ATOM 592 CE LYS A 39 25.590 -4.621 9.284 1.00 12.24 C ATOM 593 NZ LYS A 39 25.627 -3.211 8.835 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.136 -8.293 7.343 1.00 1.25 H new ATOM 0 HA LYS A 39 23.809 -5.964 5.948 1.00 23.04 H new ATOM 0 HB2 LYS A 39 24.856 -7.300 8.002 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.940 -7.870 6.749 1.00 65.41 H new ATOM 0 HG2 LYS A 39 26.825 -5.751 6.340 1.00 52.45 H new ATOM 0 HG3 LYS A 39 25.341 -4.925 6.770 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.744 -6.417 8.970 1.00 54.13 H new ATOM 0 HD3 LYS A 39 27.522 -4.959 8.385 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.579 -5.015 9.183 1.00 12.24 H new ATOM 0 HE3 LYS A 39 25.851 -4.680 10.341 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 24.696 -2.773 8.989 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.348 -2.693 9.377 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 25.863 -3.175 7.823 1.00 2.13 H new ATOM 606 N THR A 40 25.498 -6.712 4.052 1.00 35.13 N ATOM 607 CA THR A 40 25.991 -6.997 2.715 1.00 75.44 C ATOM 608 C THR A 40 26.902 -8.226 2.732 1.00 43.11 C ATOM 609 O THR A 40 27.387 -8.628 3.789 1.00 72.31 O ATOM 610 CB THR A 40 26.680 -5.737 2.187 1.00 74.21 C ATOM 611 OG1 THR A 40 27.402 -5.240 3.310 1.00 42.25 O ATOM 612 CG2 THR A 40 25.686 -4.620 1.859 1.00 52.34 C ATOM 0 H THR A 40 25.962 -5.934 4.521 1.00 35.13 H new ATOM 0 HA THR A 40 25.174 -7.247 2.038 1.00 75.44 H new ATOM 0 HB THR A 40 27.255 -5.985 1.295 1.00 74.21 H new ATOM 0 HG1 THR A 40 28.332 -5.069 3.052 1.00 42.25 H new ATOM 0 HG21 THR A 40 26.227 -3.749 1.488 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.989 -4.966 1.096 1.00 52.34 H new ATOM 0 HG23 THR A 40 25.134 -4.348 2.759 1.00 52.34 H new ATOM 620 N GLY A 41 27.108 -8.787 1.551 1.00 61.55 N ATOM 621 CA GLY A 41 27.952 -9.962 1.417 1.00 62.50 C ATOM 622 C GLY A 41 27.702 -10.951 2.558 1.00 21.13 C ATOM 623 O GLY A 41 28.627 -11.318 3.281 1.00 23.11 O ATOM 0 H GLY A 41 26.705 -8.450 0.677 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.756 -10.447 0.461 1.00 62.50 H new ATOM 0 HA3 GLY A 41 29.000 -9.663 1.414 1.00 62.50 H new ATOM 627 N GLN A 42 26.445 -11.353 2.685 1.00 20.11 N ATOM 628 CA GLN A 42 26.061 -12.291 3.725 1.00 50.44 C ATOM 629 C GLN A 42 25.646 -13.628 3.107 1.00 23.41 C ATOM 630 O GLN A 42 25.801 -14.677 3.729 1.00 22.22 O ATOM 631 CB GLN A 42 24.941 -11.717 4.595 1.00 22.15 C ATOM 632 CG GLN A 42 25.425 -10.492 5.374 1.00 43.33 C ATOM 633 CD GLN A 42 26.647 -10.834 6.229 1.00 74.22 C ATOM 634 OE1 GLN A 42 26.541 -11.349 7.330 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.808 -10.519 5.664 1.00 55.35 N ATOM 0 H GLN A 42 25.680 -11.046 2.084 1.00 20.11 H new ATOM 0 HA GLN A 42 26.924 -12.463 4.369 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.093 -11.442 3.968 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.589 -12.479 5.290 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.676 -9.690 4.679 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.622 -10.122 6.012 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.825 -10.090 4.739 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.682 -10.707 6.155 1.00 55.35 H new ATOM 644 N ALA A 43 25.126 -13.546 1.892 1.00 70.23 N ATOM 645 CA ALA A 43 24.687 -14.735 1.183 1.00 30.12 C ATOM 646 C ALA A 43 25.680 -15.871 1.439 1.00 64.14 C ATOM 647 O ALA A 43 26.737 -15.929 0.811 1.00 13.20 O ATOM 648 CB ALA A 43 24.535 -14.417 -0.306 1.00 22.12 C ATOM 0 H ALA A 43 24.999 -12.673 1.380 1.00 70.23 H new ATOM 0 HA ALA A 43 23.712 -15.060 1.546 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.206 -15.310 -0.837 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.797 -13.625 -0.435 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.494 -14.089 -0.708 1.00 22.12 H new ATOM 654 N PRO A 44 25.296 -16.768 2.385 1.00 21.12 N ATOM 655 CA PRO A 44 26.142 -17.899 2.731 1.00 3.52 C ATOM 656 C PRO A 44 26.092 -18.974 1.642 1.00 70.11 C ATOM 657 O PRO A 44 25.680 -20.104 1.898 1.00 13.44 O ATOM 658 CB PRO A 44 25.616 -18.388 4.071 1.00 43.33 C ATOM 659 CG PRO A 44 24.215 -17.813 4.204 1.00 50.30 C ATOM 660 CD PRO A 44 24.052 -16.732 3.149 1.00 14.51 C ATOM 0 HA PRO A 44 27.195 -17.629 2.805 1.00 3.52 H new ATOM 0 HB2 PRO A 44 25.596 -19.477 4.109 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.255 -18.052 4.888 1.00 43.33 H new ATOM 0 HG2 PRO A 44 23.467 -18.594 4.068 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.066 -17.399 5.201 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.190 -16.928 2.511 1.00 14.51 H new ATOM 0 HD3 PRO A 44 23.896 -15.754 3.605 1.00 14.51 H new ATOM 668 N GLY A 45 26.518 -18.582 0.450 1.00 63.41 N ATOM 669 CA GLY A 45 26.529 -19.498 -0.678 1.00 62.30 C ATOM 670 C GLY A 45 27.117 -18.829 -1.921 1.00 51.31 C ATOM 671 O GLY A 45 27.969 -19.405 -2.597 1.00 1.41 O ATOM 0 H GLY A 45 26.858 -17.643 0.241 1.00 63.41 H new ATOM 0 HA2 GLY A 45 27.113 -20.383 -0.426 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.514 -19.835 -0.888 1.00 62.30 H new ATOM 675 N TYR A 46 26.640 -17.622 -2.187 1.00 31.42 N ATOM 676 CA TYR A 46 27.107 -16.868 -3.338 1.00 33.33 C ATOM 677 C TYR A 46 27.933 -15.656 -2.900 1.00 21.45 C ATOM 678 O TYR A 46 27.458 -14.820 -2.134 1.00 53.01 O ATOM 679 CB TYR A 46 25.850 -16.379 -4.061 1.00 11.41 C ATOM 680 CG TYR A 46 26.120 -15.798 -5.450 1.00 3.21 C ATOM 681 CD1 TYR A 46 26.986 -16.440 -6.311 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.494 -14.632 -5.843 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.239 -15.892 -7.619 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.746 -14.085 -7.152 1.00 4.30 C ATOM 685 CZ TYR A 46 26.606 -14.742 -7.974 1.00 64.21 C ATOM 686 OH TYR A 46 26.844 -14.225 -9.210 1.00 73.20 O ATOM 0 H TYR A 46 25.934 -17.147 -1.625 1.00 31.42 H new ATOM 0 HA TYR A 46 27.739 -17.489 -3.973 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.151 -17.210 -4.155 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.363 -15.620 -3.449 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.474 -17.353 -6.004 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.815 -14.130 -5.169 1.00 42.12 H new ATOM 0 HE1 TYR A 46 27.916 -16.383 -8.302 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.263 -13.174 -7.472 1.00 4.30 H new ATOM 0 HH TYR A 46 26.059 -13.721 -9.511 1.00 73.20 H new ATOM 696 N SER A 47 29.156 -15.601 -3.407 1.00 61.13 N ATOM 697 CA SER A 47 30.054 -14.507 -3.077 1.00 50.02 C ATOM 698 C SER A 47 29.990 -13.433 -4.166 1.00 61.25 C ATOM 699 O SER A 47 29.922 -13.750 -5.353 1.00 74.42 O ATOM 700 CB SER A 47 31.490 -15.003 -2.908 1.00 64.01 C ATOM 701 OG SER A 47 32.070 -15.400 -4.148 1.00 62.20 O ATOM 0 H SER A 47 29.546 -16.296 -4.044 1.00 61.13 H new ATOM 0 HA SER A 47 29.733 -14.077 -2.128 1.00 50.02 H new ATOM 0 HB2 SER A 47 32.095 -14.214 -2.461 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.503 -15.845 -2.216 1.00 64.01 H new ATOM 0 HG SER A 47 32.988 -15.708 -3.996 1.00 62.20 H new ATOM 707 N TYR A 48 30.012 -12.185 -3.723 1.00 23.43 N ATOM 708 CA TYR A 48 29.957 -11.062 -4.644 1.00 51.03 C ATOM 709 C TYR A 48 31.360 -10.534 -4.950 1.00 50.11 C ATOM 710 O TYR A 48 32.354 -11.120 -4.523 1.00 44.52 O ATOM 711 CB TYR A 48 29.158 -9.970 -3.931 1.00 20.35 C ATOM 712 CG TYR A 48 27.925 -10.487 -3.186 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.309 -11.650 -3.596 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.431 -9.788 -2.103 1.00 40.21 C ATOM 715 CE1 TYR A 48 26.149 -12.137 -2.894 1.00 31.53 C ATOM 716 CE2 TYR A 48 26.270 -10.274 -1.402 1.00 74.50 C ATOM 717 CZ TYR A 48 25.687 -11.424 -1.832 1.00 31.14 C ATOM 718 OH TYR A 48 24.592 -11.884 -1.170 1.00 23.04 O ATOM 0 H TYR A 48 30.067 -11.926 -2.738 1.00 23.43 H new ATOM 0 HA TYR A 48 29.503 -11.363 -5.588 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.811 -9.460 -3.222 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.842 -9.228 -4.664 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.696 -12.196 -4.444 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.915 -8.877 -1.781 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.658 -13.047 -3.204 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.872 -9.737 -0.554 1.00 74.50 H new ATOM 0 HH TYR A 48 24.375 -11.275 -0.433 1.00 23.04 H new ATOM 728 N THR A 49 31.396 -9.433 -5.685 1.00 5.20 N ATOM 729 CA THR A 49 32.661 -8.818 -6.052 1.00 43.03 C ATOM 730 C THR A 49 33.337 -8.213 -4.820 1.00 11.41 C ATOM 731 O THR A 49 32.720 -8.097 -3.764 1.00 40.24 O ATOM 732 CB THR A 49 32.388 -7.799 -7.159 1.00 0.23 C ATOM 733 OG1 THR A 49 31.449 -6.898 -6.577 1.00 65.43 O ATOM 734 CG2 THR A 49 31.635 -8.407 -8.344 1.00 63.33 C ATOM 0 H THR A 49 30.569 -8.950 -6.037 1.00 5.20 H new ATOM 0 HA THR A 49 33.363 -9.557 -6.438 1.00 43.03 H new ATOM 0 HB THR A 49 33.332 -7.380 -7.506 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.545 -7.131 -6.874 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.467 -7.640 -9.101 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.225 -9.217 -8.773 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.676 -8.797 -8.004 1.00 63.33 H new ATOM 742 N ALA A 50 34.597 -7.843 -4.999 1.00 63.11 N ATOM 743 CA ALA A 50 35.364 -7.253 -3.915 1.00 4.40 C ATOM 744 C ALA A 50 34.886 -5.819 -3.682 1.00 24.52 C ATOM 745 O ALA A 50 35.184 -5.221 -2.648 1.00 65.45 O ATOM 746 CB ALA A 50 36.855 -7.324 -4.247 1.00 22.44 C ATOM 0 H ALA A 50 35.105 -7.940 -5.878 1.00 63.11 H new ATOM 0 HA ALA A 50 35.210 -7.807 -2.989 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.430 -6.881 -3.434 1.00 22.44 H new ATOM 0 HB2 ALA A 50 37.150 -8.365 -4.375 1.00 22.44 H new ATOM 0 HB3 ALA A 50 37.049 -6.776 -5.169 1.00 22.44 H new ATOM 752 N ALA A 51 34.154 -5.305 -4.659 1.00 22.13 N ATOM 753 CA ALA A 51 33.633 -3.951 -4.573 1.00 24.51 C ATOM 754 C ALA A 51 32.340 -3.959 -3.753 1.00 32.14 C ATOM 755 O ALA A 51 31.977 -2.949 -3.153 1.00 53.32 O ATOM 756 CB ALA A 51 33.427 -3.393 -5.982 1.00 73.13 C ATOM 0 H ALA A 51 33.909 -5.802 -5.515 1.00 22.13 H new ATOM 0 HA ALA A 51 34.342 -3.298 -4.065 1.00 24.51 H new ATOM 0 HB1 ALA A 51 33.036 -2.377 -5.918 1.00 73.13 H new ATOM 0 HB2 ALA A 51 34.379 -3.382 -6.512 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.718 -4.021 -6.522 1.00 73.13 H new ATOM 762 N ASN A 52 31.683 -5.109 -3.756 1.00 72.12 N ATOM 763 CA ASN A 52 30.439 -5.261 -3.019 1.00 72.03 C ATOM 764 C ASN A 52 30.745 -5.754 -1.604 1.00 44.33 C ATOM 765 O ASN A 52 30.458 -5.066 -0.627 1.00 21.23 O ATOM 766 CB ASN A 52 29.524 -6.287 -3.691 1.00 71.24 C ATOM 767 CG ASN A 52 28.090 -6.164 -3.174 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.930 -6.572 -1.918 1.00 10.34 O flip ATOM 769 ND2 ASN A 52 27.187 -5.727 -3.869 1.00 51.41 N flip ATOM 0 H ASN A 52 31.988 -5.944 -4.256 1.00 72.12 H new ATOM 0 HA ASN A 52 29.940 -4.292 -2.996 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.539 -6.141 -4.771 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.898 -7.293 -3.501 1.00 71.24 H new ATOM 0 HD21 ASN A 52 27.378 -5.431 -4.826 1.00 51.41 H new ATOM 0 HD22 ASN A 52 26.241 -5.658 -3.493 1.00 51.41 H new ATOM 776 N LYS A 53 31.326 -6.943 -1.540 1.00 31.33 N ATOM 777 CA LYS A 53 31.674 -7.538 -0.261 1.00 23.25 C ATOM 778 C LYS A 53 32.241 -6.457 0.662 1.00 40.10 C ATOM 779 O LYS A 53 32.103 -6.540 1.881 1.00 44.44 O ATOM 780 CB LYS A 53 32.613 -8.729 -0.461 1.00 41.40 C ATOM 781 CG LYS A 53 32.426 -9.768 0.647 1.00 75.03 C ATOM 782 CD LYS A 53 33.659 -10.663 0.773 1.00 74.12 C ATOM 783 CE LYS A 53 33.319 -11.967 1.499 1.00 55.52 C ATOM 784 NZ LYS A 53 32.448 -11.698 2.664 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.565 -7.510 -2.353 1.00 31.33 H new ATOM 0 HA LYS A 53 30.786 -7.940 0.226 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.422 -9.188 -1.431 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.647 -8.384 -0.470 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.240 -9.264 1.595 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.549 -10.379 0.433 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.053 -10.887 -0.218 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.443 -10.134 1.316 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.819 -12.652 0.814 1.00 55.52 H new ATOM 0 HE3 LYS A 53 34.235 -12.457 1.828 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.472 -12.512 3.311 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 32.786 -10.850 3.162 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.472 -11.543 2.339 1.00 13.54 H new ATOM 797 N ASN A 54 32.867 -5.466 0.043 1.00 32.11 N ATOM 798 CA ASN A 54 33.455 -4.369 0.793 1.00 62.53 C ATOM 799 C ASN A 54 32.352 -3.620 1.543 1.00 21.52 C ATOM 800 O ASN A 54 32.435 -3.437 2.757 1.00 54.24 O ATOM 801 CB ASN A 54 34.152 -3.375 -0.139 1.00 4.13 C ATOM 802 CG ASN A 54 35.331 -2.699 0.562 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.176 -1.950 1.513 1.00 64.31 O ATOM 804 ND2 ASN A 54 36.517 -3.005 0.043 1.00 31.23 N ATOM 0 H ASN A 54 32.980 -5.400 -0.969 1.00 32.11 H new ATOM 0 HA ASN A 54 34.186 -4.788 1.485 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.504 -3.893 -1.031 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.439 -2.619 -0.469 1.00 4.13 H new ATOM 0 HD21 ASN A 54 37.367 -2.606 0.442 1.00 31.23 H new ATOM 0 HD22 ASN A 54 36.577 -3.639 -0.754 1.00 31.23 H new ATOM 811 N LYS A 55 31.344 -3.206 0.789 1.00 3.10 N ATOM 812 CA LYS A 55 30.225 -2.481 1.368 1.00 52.01 C ATOM 813 C LYS A 55 29.855 -3.110 2.712 1.00 71.13 C ATOM 814 O LYS A 55 29.964 -4.323 2.885 1.00 34.34 O ATOM 815 CB LYS A 55 29.060 -2.415 0.378 1.00 61.43 C ATOM 816 CG LYS A 55 28.169 -1.204 0.660 1.00 35.11 C ATOM 817 CD LYS A 55 28.771 0.070 0.064 1.00 31.33 C ATOM 818 CE LYS A 55 28.377 1.299 0.885 1.00 31.13 C ATOM 819 NZ LYS A 55 29.355 2.391 0.686 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.279 -3.359 -0.217 1.00 3.10 H new ATOM 0 HA LYS A 55 30.504 -1.446 1.567 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.446 -2.358 -0.640 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.469 -3.329 0.444 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.177 -1.372 0.241 1.00 35.11 H new ATOM 0 HG3 LYS A 55 28.044 -1.083 1.736 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.857 -0.017 0.032 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.430 0.191 -0.964 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.383 1.636 0.592 1.00 31.13 H new ATOM 0 HE3 LYS A 55 28.326 1.037 1.942 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 29.072 3.217 1.251 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 30.298 2.072 0.988 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.383 2.652 -0.320 1.00 40.52 H new ATOM 832 N GLY A 56 29.426 -2.257 3.631 1.00 14.34 N ATOM 833 CA GLY A 56 29.040 -2.714 4.955 1.00 1.53 C ATOM 834 C GLY A 56 27.828 -1.937 5.471 1.00 71.44 C ATOM 835 O GLY A 56 27.971 -1.024 6.283 1.00 74.10 O ATOM 0 H GLY A 56 29.337 -1.251 3.484 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.807 -3.778 4.923 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.876 -2.591 5.644 1.00 1.53 H new ATOM 839 N ILE A 57 26.661 -2.327 4.979 1.00 74.01 N ATOM 840 CA ILE A 57 25.424 -1.678 5.380 1.00 43.32 C ATOM 841 C ILE A 57 24.279 -2.690 5.315 1.00 62.24 C ATOM 842 O ILE A 57 24.459 -3.808 4.835 1.00 3.42 O ATOM 843 CB ILE A 57 25.183 -0.420 4.543 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.241 -0.738 3.047 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.158 0.693 4.931 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.894 -1.261 2.545 1.00 32.33 C ATOM 0 H ILE A 57 26.546 -3.085 4.306 1.00 74.01 H new ATOM 0 HA ILE A 57 25.490 -1.337 6.413 1.00 43.32 H new ATOM 0 HB ILE A 57 24.178 -0.055 4.756 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.517 0.158 2.492 1.00 32.54 H new ATOM 0 HG13 ILE A 57 26.016 -1.481 2.859 1.00 32.54 H new ATOM 0 HG21 ILE A 57 25.965 1.575 4.321 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.024 0.943 5.983 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.181 0.355 4.766 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.963 -1.479 1.479 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.633 -2.171 3.086 1.00 32.33 H new ATOM 0 HD13 ILE A 57 23.126 -0.506 2.712 1.00 32.33 H new ATOM 858 N ILE A 58 23.125 -2.261 5.806 1.00 34.44 N ATOM 859 CA ILE A 58 21.950 -3.115 5.810 1.00 71.13 C ATOM 860 C ILE A 58 20.991 -2.662 4.706 1.00 61.15 C ATOM 861 O ILE A 58 20.928 -1.477 4.382 1.00 1.32 O ATOM 862 CB ILE A 58 21.314 -3.145 7.202 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.147 -3.992 8.166 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.861 -3.621 7.131 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.749 -5.468 8.084 1.00 42.52 C ATOM 0 H ILE A 58 22.979 -1.333 6.204 1.00 34.44 H new ATOM 0 HA ILE A 58 22.228 -4.146 5.589 1.00 71.13 H new ATOM 0 HB ILE A 58 21.301 -2.128 7.594 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.205 -3.883 7.929 1.00 53.34 H new ATOM 0 HG13 ILE A 58 22.009 -3.631 9.185 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.433 -3.633 8.133 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.287 -2.944 6.499 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.827 -4.626 6.710 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.356 -6.048 8.779 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.696 -5.576 8.345 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.911 -5.833 7.070 1.00 42.52 H new ATOM 877 N TRP A 59 20.270 -3.629 4.159 1.00 12.43 N ATOM 878 CA TRP A 59 19.318 -3.345 3.099 1.00 31.13 C ATOM 879 C TRP A 59 17.948 -3.115 3.742 1.00 62.44 C ATOM 880 O TRP A 59 17.626 -3.726 4.759 1.00 4.32 O ATOM 881 CB TRP A 59 19.308 -4.463 2.056 1.00 3.14 C ATOM 882 CG TRP A 59 20.590 -4.551 1.226 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.480 -5.552 1.184 1.00 33.12 C ATOM 884 CD2 TRP A 59 21.094 -3.552 0.313 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.516 -5.274 0.315 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.273 -4.019 -0.232 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.569 -2.296 -0.040 1.00 1.23 C ATOM 888 CZ2 TRP A 59 23.027 -3.293 -1.161 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.336 -1.584 -0.972 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.525 -2.040 -1.528 1.00 62.15 C ATOM 0 H TRP A 59 20.326 -4.611 4.430 1.00 12.43 H new ATOM 0 HA TRP A 59 19.604 -2.444 2.556 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.148 -5.416 2.561 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.462 -4.312 1.385 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.397 -6.463 1.758 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.313 -5.878 0.112 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.649 -1.911 0.374 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.948 -3.680 -1.573 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.978 -0.613 -1.280 1.00 14.52 H new ATOM 0 HH2 TRP A 59 23.059 -1.429 -2.241 1.00 62.15 H new ATOM 901 N GLY A 60 17.179 -2.232 3.122 1.00 60.12 N ATOM 902 CA GLY A 60 15.852 -1.915 3.620 1.00 61.54 C ATOM 903 C GLY A 60 15.035 -1.164 2.567 1.00 2.44 C ATOM 904 O GLY A 60 15.173 -1.419 1.371 1.00 64.10 O ATOM 0 H GLY A 60 17.450 -1.726 2.279 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.336 -2.833 3.899 1.00 61.54 H new ATOM 0 HA3 GLY A 60 15.934 -1.309 4.522 1.00 61.54 H new ATOM 908 N GLU A 61 14.202 -0.254 3.048 1.00 1.02 N ATOM 909 CA GLU A 61 13.363 0.536 2.163 1.00 43.51 C ATOM 910 C GLU A 61 14.115 1.780 1.688 1.00 54.24 C ATOM 911 O GLU A 61 14.119 2.092 0.499 1.00 64.13 O ATOM 912 CB GLU A 61 12.049 0.917 2.848 1.00 4.31 C ATOM 913 CG GLU A 61 10.985 -0.162 2.633 1.00 42.02 C ATOM 914 CD GLU A 61 9.579 0.442 2.660 1.00 40.13 C ATOM 915 OE1 GLU A 61 8.690 -0.087 3.342 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.427 1.500 1.938 1.00 53.22 O1- ATOM 0 H GLU A 61 14.090 -0.046 4.040 1.00 1.02 H new ATOM 0 HA GLU A 61 13.117 -0.070 1.291 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.219 1.058 3.915 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.692 1.868 2.454 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.153 -0.658 1.677 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.073 -0.924 3.408 1.00 42.02 H new ATOM 924 N ASP A 62 14.735 2.458 2.644 1.00 41.03 N ATOM 925 CA ASP A 62 15.490 3.662 2.339 1.00 11.04 C ATOM 926 C ASP A 62 16.732 3.288 1.530 1.00 64.11 C ATOM 927 O ASP A 62 16.869 3.687 0.374 1.00 4.51 O ATOM 928 CB ASP A 62 15.951 4.362 3.618 1.00 52.14 C ATOM 929 CG ASP A 62 16.478 5.785 3.423 1.00 62.42 C ATOM 930 OD1 ASP A 62 15.784 6.769 3.716 1.00 35.04 O ATOM 931 OD2 ASP A 62 17.672 5.862 2.941 1.00 62.51 O1- ATOM 0 H ASP A 62 14.730 2.196 3.630 1.00 41.03 H new ATOM 0 HA ASP A 62 14.842 4.333 1.775 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.116 4.393 4.318 1.00 52.14 H new ATOM 0 HB3 ASP A 62 16.734 3.761 4.081 1.00 52.14 H new ATOM 937 N THR A 63 17.608 2.527 2.169 1.00 73.22 N ATOM 938 CA THR A 63 18.836 2.094 1.523 1.00 3.24 C ATOM 939 C THR A 63 18.563 1.692 0.073 1.00 11.02 C ATOM 940 O THR A 63 19.203 2.198 -0.847 1.00 1.20 O ATOM 941 CB THR A 63 19.441 0.967 2.363 1.00 40.22 C ATOM 942 OG1 THR A 63 18.453 -0.060 2.327 1.00 4.21 O ATOM 943 CG2 THR A 63 19.545 1.333 3.845 1.00 44.33 C ATOM 0 H THR A 63 17.492 2.199 3.128 1.00 73.22 H new ATOM 0 HA THR A 63 19.562 2.905 1.471 1.00 3.24 H new ATOM 0 HB THR A 63 20.431 0.719 1.980 1.00 40.22 H new ATOM 0 HG1 THR A 63 17.738 0.152 2.963 1.00 4.21 H new ATOM 0 HG21 THR A 63 19.980 0.499 4.396 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.178 2.213 3.959 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.551 1.548 4.237 1.00 44.33 H new ATOM 951 N LEU A 64 17.611 0.784 -0.086 1.00 10.45 N ATOM 952 CA LEU A 64 17.244 0.308 -1.410 1.00 43.40 C ATOM 953 C LEU A 64 16.777 1.490 -2.261 1.00 72.41 C ATOM 954 O LEU A 64 17.363 1.779 -3.304 1.00 42.34 O ATOM 955 CB LEU A 64 16.216 -0.821 -1.307 1.00 75.52 C ATOM 956 CG LEU A 64 16.749 -2.172 -0.827 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.607 -3.165 -0.609 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.809 -2.716 -1.787 1.00 20.25 C ATOM 0 H LEU A 64 17.083 0.365 0.679 1.00 10.45 H new ATOM 0 HA LEU A 64 18.109 -0.125 -1.913 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.424 -0.504 -0.629 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.760 -0.960 -2.287 1.00 75.52 H new ATOM 0 HG LEU A 64 17.235 -2.025 0.137 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.013 -4.117 -0.268 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.922 -2.773 0.143 1.00 31.02 H new ATOM 0 HD13 LEU A 64 15.071 -3.314 -1.546 1.00 31.02 H new ATOM 0 HD21 LEU A 64 18.171 -3.677 -1.422 1.00 20.25 H new ATOM 0 HD22 LEU A 64 17.371 -2.845 -2.777 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.641 -2.014 -1.847 1.00 20.25 H new ATOM 970 N MET A 65 15.726 2.143 -1.786 1.00 14.04 N ATOM 971 CA MET A 65 15.174 3.287 -2.490 1.00 64.51 C ATOM 972 C MET A 65 16.286 4.208 -2.998 1.00 44.11 C ATOM 973 O MET A 65 16.143 4.842 -4.042 1.00 35.15 O ATOM 974 CB MET A 65 14.253 4.069 -1.551 1.00 75.32 C ATOM 975 CG MET A 65 13.918 5.444 -2.132 1.00 12.54 C ATOM 976 SD MET A 65 13.364 5.276 -3.820 1.00 72.52 S ATOM 977 CE MET A 65 11.705 4.678 -3.544 1.00 71.41 C ATOM 0 H MET A 65 15.242 1.901 -0.921 1.00 14.04 H new ATOM 0 HA MET A 65 14.609 2.923 -3.348 1.00 64.51 H new ATOM 0 HB2 MET A 65 13.334 3.507 -1.385 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.734 4.188 -0.580 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.143 5.922 -1.532 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.796 6.089 -2.091 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.020 5.176 -4.230 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.673 3.602 -3.716 1.00 71.41 H new ATOM 0 HE3 MET A 65 11.408 4.891 -2.517 1.00 71.41 H new ATOM 987 N GLU A 66 17.369 4.251 -2.236 1.00 20.23 N ATOM 988 CA GLU A 66 18.504 5.083 -2.596 1.00 4.35 C ATOM 989 C GLU A 66 19.344 4.397 -3.675 1.00 12.41 C ATOM 990 O GLU A 66 19.834 5.051 -4.594 1.00 31.41 O ATOM 991 CB GLU A 66 19.354 5.412 -1.367 1.00 2.12 C ATOM 992 CG GLU A 66 20.575 6.250 -1.752 1.00 74.21 C ATOM 993 CD GLU A 66 21.362 6.675 -0.512 1.00 11.01 C ATOM 994 OE1 GLU A 66 22.587 6.487 -0.460 1.00 62.03 O ATOM 995 OE2 GLU A 66 20.657 7.221 0.420 1.00 61.41 O1- ATOM 0 H GLU A 66 17.484 3.723 -1.371 1.00 20.23 H new ATOM 0 HA GLU A 66 18.127 6.023 -2.999 1.00 4.35 H new ATOM 0 HB2 GLU A 66 18.751 5.954 -0.639 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.679 4.489 -0.888 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.220 5.675 -2.417 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.255 7.134 -2.304 1.00 74.21 H new ATOM 1003 N TYR A 67 19.483 3.088 -3.529 1.00 2.54 N ATOM 1004 CA TYR A 67 20.255 2.306 -4.480 1.00 70.14 C ATOM 1005 C TYR A 67 19.601 2.324 -5.863 1.00 15.44 C ATOM 1006 O TYR A 67 20.255 2.629 -6.859 1.00 20.34 O ATOM 1007 CB TYR A 67 20.254 0.872 -3.947 1.00 71.01 C ATOM 1008 CG TYR A 67 21.224 -0.063 -4.672 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.516 0.349 -4.931 1.00 73.53 C ATOM 1010 CD2 TYR A 67 20.808 -1.317 -5.068 1.00 25.24 C ATOM 1011 CE1 TYR A 67 23.429 -0.530 -5.614 1.00 50.13 C ATOM 1012 CE2 TYR A 67 21.721 -2.197 -5.750 1.00 12.44 C ATOM 1013 CZ TYR A 67 22.986 -1.760 -5.990 1.00 70.00 C ATOM 1014 OH TYR A 67 23.849 -2.590 -6.634 1.00 1.15 O ATOM 0 H TYR A 67 19.074 2.549 -2.766 1.00 2.54 H new ATOM 0 HA TYR A 67 21.261 2.712 -4.584 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.507 0.889 -2.887 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.246 0.466 -4.028 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.842 1.331 -4.621 1.00 73.53 H new ATOM 0 HD2 TYR A 67 19.797 -1.639 -4.866 1.00 25.24 H new ATOM 0 HE1 TYR A 67 24.442 -0.220 -5.823 1.00 50.13 H new ATOM 0 HE2 TYR A 67 21.408 -3.182 -6.064 1.00 12.44 H new ATOM 0 HH TYR A 67 23.964 -3.411 -6.112 1.00 1.15 H new ATOM 1024 N LEU A 68 18.318 1.993 -5.880 1.00 3.24 N ATOM 1025 CA LEU A 68 17.569 1.966 -7.124 1.00 35.25 C ATOM 1026 C LEU A 68 17.811 3.269 -7.889 1.00 53.11 C ATOM 1027 O LEU A 68 18.047 3.249 -9.097 1.00 15.43 O ATOM 1028 CB LEU A 68 16.090 1.679 -6.853 1.00 63.11 C ATOM 1029 CG LEU A 68 15.696 0.203 -6.779 1.00 65.23 C ATOM 1030 CD1 LEU A 68 16.031 -0.520 -8.085 1.00 12.31 C ATOM 1031 CD2 LEU A 68 16.338 -0.475 -5.567 1.00 71.44 C ATOM 0 H LEU A 68 17.779 1.741 -5.052 1.00 3.24 H new ATOM 0 HA LEU A 68 17.917 1.152 -7.760 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.814 2.156 -5.912 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.499 2.154 -7.636 1.00 63.11 H new ATOM 0 HG LEU A 68 14.616 0.144 -6.647 1.00 65.23 H new ATOM 0 HD11 LEU A 68 15.741 -1.568 -8.006 1.00 12.31 H new ATOM 0 HD12 LEU A 68 15.489 -0.055 -8.908 1.00 12.31 H new ATOM 0 HD13 LEU A 68 17.103 -0.454 -8.273 1.00 12.31 H new ATOM 0 HD21 LEU A 68 16.042 -1.524 -5.537 1.00 71.44 H new ATOM 0 HD22 LEU A 68 17.423 -0.406 -5.644 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.007 0.021 -4.655 1.00 71.44 H new ATOM 1043 N GLU A 69 17.747 4.370 -7.154 1.00 15.25 N ATOM 1044 CA GLU A 69 17.959 5.679 -7.748 1.00 72.12 C ATOM 1045 C GLU A 69 19.233 5.680 -8.595 1.00 22.31 C ATOM 1046 O GLU A 69 19.243 6.202 -9.708 1.00 70.33 O ATOM 1047 CB GLU A 69 18.014 6.766 -6.673 1.00 51.12 C ATOM 1048 CG GLU A 69 18.272 8.140 -7.295 1.00 33.34 C ATOM 1049 CD GLU A 69 18.445 9.208 -6.214 1.00 54.43 C ATOM 1050 OE1 GLU A 69 18.110 8.966 -5.044 1.00 2.44 O ATOM 1051 OE2 GLU A 69 18.949 10.322 -6.624 1.00 3.24 O1- ATOM 0 H GLU A 69 17.551 4.382 -6.153 1.00 15.25 H new ATOM 0 HA GLU A 69 17.114 5.901 -8.400 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.075 6.784 -6.120 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.801 6.534 -5.956 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.166 8.099 -7.917 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.442 8.409 -7.948 1.00 33.34 H new ATOM 1059 N ASN A 70 20.277 5.087 -8.035 1.00 1.34 N ATOM 1060 CA ASN A 70 21.553 5.012 -8.725 1.00 62.35 C ATOM 1061 C ASN A 70 22.462 4.017 -8.001 1.00 55.43 C ATOM 1062 O ASN A 70 23.265 4.405 -7.154 1.00 45.53 O ATOM 1063 CB ASN A 70 22.255 6.372 -8.735 1.00 44.13 C ATOM 1064 CG ASN A 70 21.782 7.223 -9.914 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.554 6.739 -11.010 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.650 8.516 -9.630 1.00 0.54 N ATOM 0 H ASN A 70 20.265 4.654 -7.111 1.00 1.34 H new ATOM 0 HA ASN A 70 21.363 4.696 -9.751 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.055 6.896 -7.800 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.334 6.228 -8.795 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.341 9.168 -10.351 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.858 8.856 -8.691 1.00 0.54 H new ATOM 1073 N PRO A 71 22.301 2.717 -8.370 1.00 54.04 N ATOM 1074 CA PRO A 71 23.098 1.663 -7.765 1.00 32.44 C ATOM 1075 C PRO A 71 24.528 1.677 -8.308 1.00 41.31 C ATOM 1076 O PRO A 71 25.357 0.863 -7.902 1.00 74.34 O ATOM 1077 CB PRO A 71 22.354 0.376 -8.083 1.00 13.22 C ATOM 1078 CG PRO A 71 21.427 0.707 -9.242 1.00 74.42 C ATOM 1079 CD PRO A 71 21.361 2.219 -9.370 1.00 62.30 C ATOM 0 HA PRO A 71 23.211 1.786 -6.688 1.00 32.44 H new ATOM 0 HB2 PRO A 71 23.048 -0.420 -8.353 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.789 0.027 -7.218 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.797 0.262 -10.166 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.433 0.295 -9.065 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.640 2.544 -10.372 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.353 2.589 -9.184 1.00 62.30 H new ATOM 1087 N LYS A 72 24.774 2.610 -9.216 1.00 40.44 N ATOM 1088 CA LYS A 72 26.090 2.739 -9.818 1.00 22.32 C ATOM 1089 C LYS A 72 26.984 3.580 -8.903 1.00 63.53 C ATOM 1090 O LYS A 72 28.198 3.389 -8.871 1.00 45.42 O ATOM 1091 CB LYS A 72 25.976 3.290 -11.241 1.00 54.30 C ATOM 1092 CG LYS A 72 27.358 3.592 -11.824 1.00 41.01 C ATOM 1093 CD LYS A 72 27.305 3.663 -13.352 1.00 72.43 C ATOM 1094 CE LYS A 72 27.504 2.278 -13.972 1.00 51.53 C ATOM 1095 NZ LYS A 72 28.941 1.923 -13.996 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.084 3.284 -9.549 1.00 40.44 H new ATOM 0 HA LYS A 72 26.562 1.761 -9.916 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.460 2.568 -11.874 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.373 4.198 -11.236 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.726 4.537 -11.425 1.00 41.01 H new ATOM 0 HG3 LYS A 72 28.063 2.820 -11.516 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.345 4.072 -13.668 1.00 72.43 H new ATOM 0 HD3 LYS A 72 28.076 4.342 -13.715 1.00 72.43 H new ATOM 0 HE2 LYS A 72 26.949 1.534 -13.401 1.00 51.53 H new ATOM 0 HE3 LYS A 72 27.103 2.266 -14.986 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 29.042 0.890 -14.057 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 29.394 2.365 -14.821 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 29.398 2.265 -13.126 1.00 51.14 H new ATOM 1108 N LYS A 73 26.347 4.490 -8.181 1.00 4.23 N ATOM 1109 CA LYS A 73 27.070 5.360 -7.268 1.00 34.14 C ATOM 1110 C LYS A 73 27.256 4.644 -5.928 1.00 2.10 C ATOM 1111 O LYS A 73 28.324 4.719 -5.323 1.00 35.44 O ATOM 1112 CB LYS A 73 26.367 6.714 -7.150 1.00 1.20 C ATOM 1113 CG LYS A 73 25.336 6.700 -6.020 1.00 32.13 C ATOM 1114 CD LYS A 73 24.423 7.925 -6.094 1.00 55.50 C ATOM 1115 CE LYS A 73 25.240 9.219 -6.074 1.00 5.11 C ATOM 1116 NZ LYS A 73 24.345 10.397 -6.055 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.339 4.644 -8.209 1.00 4.23 H new ATOM 0 HA LYS A 73 28.066 5.576 -7.655 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.104 7.495 -6.965 1.00 1.20 H new ATOM 0 HB3 LYS A 73 25.876 6.956 -8.092 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.737 5.792 -6.081 1.00 32.13 H new ATOM 0 HG3 LYS A 73 25.847 6.681 -5.057 1.00 32.13 H new ATOM 0 HD2 LYS A 73 23.824 7.883 -7.004 1.00 55.50 H new ATOM 0 HD3 LYS A 73 23.728 7.916 -5.254 1.00 55.50 H new ATOM 0 HE2 LYS A 73 25.888 9.233 -5.198 1.00 5.11 H new ATOM 0 HE3 LYS A 73 25.887 9.261 -6.950 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 24.916 11.266 -6.042 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 23.744 10.390 -6.904 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 23.745 10.364 -5.206 1.00 51.34 H new ATOM 1129 N TYR A 74 26.199 3.966 -5.504 1.00 21.02 N ATOM 1130 CA TYR A 74 26.233 3.237 -4.248 1.00 11.41 C ATOM 1131 C TYR A 74 27.375 2.218 -4.235 1.00 42.23 C ATOM 1132 O TYR A 74 28.020 2.018 -3.208 1.00 73.43 O ATOM 1133 CB TYR A 74 24.900 2.493 -4.157 1.00 34.24 C ATOM 1134 CG TYR A 74 24.426 2.238 -2.725 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.244 1.569 -1.836 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.181 2.675 -2.321 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.798 1.330 -0.488 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.735 2.436 -0.973 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.566 1.775 -0.123 1.00 60.53 C ATOM 1140 OH TYR A 74 23.145 1.549 1.150 1.00 63.13 O ATOM 0 H TYR A 74 25.314 3.906 -6.008 1.00 21.02 H new ATOM 0 HA TYR A 74 26.389 3.919 -3.412 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.138 3.068 -4.684 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.993 1.538 -4.674 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.218 1.225 -2.152 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.541 3.197 -3.017 1.00 0.20 H new ATOM 0 HE1 TYR A 74 25.428 0.809 0.218 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.763 2.774 -0.644 1.00 65.02 H new ATOM 0 HH TYR A 74 22.247 1.923 1.269 1.00 63.13 H new ATOM 1150 N ILE A 75 27.589 1.603 -5.389 1.00 35.22 N ATOM 1151 CA ILE A 75 28.641 0.610 -5.523 1.00 2.31 C ATOM 1152 C ILE A 75 29.199 0.655 -6.947 1.00 30.40 C ATOM 1153 O ILE A 75 28.706 -0.041 -7.833 1.00 3.45 O ATOM 1154 CB ILE A 75 28.131 -0.771 -5.105 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.389 -0.700 -3.769 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.273 -1.790 -5.074 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.901 -2.085 -3.339 1.00 1.01 C ATOM 0 H ILE A 75 27.052 1.773 -6.239 1.00 35.22 H new ATOM 0 HA ILE A 75 29.467 0.836 -4.849 1.00 2.31 H new ATOM 0 HB ILE A 75 27.415 -1.112 -5.853 1.00 64.10 H new ATOM 0 HG12 ILE A 75 28.048 -0.289 -3.004 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.540 -0.022 -3.856 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.884 -2.763 -4.774 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.719 -1.867 -6.066 1.00 52.55 H new ATOM 0 HG23 ILE A 75 30.030 -1.466 -4.360 1.00 52.55 H new ATOM 0 HD11 ILE A 75 26.377 -2.007 -2.386 1.00 1.01 H new ATOM 0 HD12 ILE A 75 26.223 -2.483 -4.094 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.755 -2.754 -3.229 1.00 1.01 H new ATOM 1169 N PRO A 76 30.248 1.502 -7.127 1.00 75.43 N ATOM 1170 CA PRO A 76 30.878 1.646 -8.427 1.00 60.41 C ATOM 1171 C PRO A 76 31.757 0.436 -8.749 1.00 71.21 C ATOM 1172 O PRO A 76 32.677 0.114 -7.997 1.00 23.43 O ATOM 1173 CB PRO A 76 31.665 2.945 -8.342 1.00 52.32 C ATOM 1174 CG PRO A 76 31.822 3.239 -6.859 1.00 32.44 C ATOM 1175 CD PRO A 76 30.859 2.343 -6.100 1.00 2.31 C ATOM 0 HA PRO A 76 30.155 1.686 -9.241 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.637 2.846 -8.826 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.139 3.755 -8.847 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.848 3.053 -6.540 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.609 4.288 -6.654 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.381 1.742 -5.355 1.00 2.31 H new ATOM 0 HD3 PRO A 76 30.108 2.928 -5.569 1.00 2.31 H new ATOM 1183 N GLY A 77 31.443 -0.203 -9.866 1.00 41.14 N ATOM 1184 CA GLY A 77 32.193 -1.372 -10.295 1.00 61.20 C ATOM 1185 C GLY A 77 31.363 -2.646 -10.133 1.00 2.42 C ATOM 1186 O GLY A 77 31.734 -3.702 -10.643 1.00 31.14 O ATOM 0 H GLY A 77 30.680 0.066 -10.487 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.488 -1.256 -11.338 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.110 -1.454 -9.711 1.00 61.20 H new ATOM 1190 N THR A 78 30.256 -2.506 -9.420 1.00 45.32 N ATOM 1191 CA THR A 78 29.370 -3.633 -9.183 1.00 52.32 C ATOM 1192 C THR A 78 29.003 -4.310 -10.506 1.00 15.00 C ATOM 1193 O THR A 78 29.253 -3.761 -11.578 1.00 74.51 O ATOM 1194 CB THR A 78 28.155 -3.125 -8.404 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.263 -4.236 -8.386 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.384 -2.042 -9.162 1.00 71.52 C ATOM 0 H THR A 78 29.952 -1.629 -8.998 1.00 45.32 H new ATOM 0 HA THR A 78 29.860 -4.401 -8.585 1.00 52.32 H new ATOM 0 HB THR A 78 28.481 -2.733 -7.441 1.00 44.04 H new ATOM 0 HG1 THR A 78 27.237 -4.620 -7.485 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.532 -1.717 -8.565 1.00 71.52 H new ATOM 0 HG22 THR A 78 28.040 -1.193 -9.351 1.00 71.52 H new ATOM 0 HG23 THR A 78 27.030 -2.444 -10.111 1.00 71.52 H new ATOM 1204 N LYS A 79 28.417 -5.492 -10.386 1.00 35.35 N ATOM 1205 CA LYS A 79 28.013 -6.249 -11.558 1.00 23.13 C ATOM 1206 C LYS A 79 26.591 -5.848 -11.955 1.00 32.14 C ATOM 1207 O LYS A 79 26.157 -6.110 -13.076 1.00 61.34 O ATOM 1208 CB LYS A 79 28.183 -7.750 -11.312 1.00 4.04 C ATOM 1209 CG LYS A 79 29.537 -8.048 -10.666 1.00 33.42 C ATOM 1210 CD LYS A 79 30.012 -9.461 -11.016 1.00 24.30 C ATOM 1211 CE LYS A 79 29.276 -10.509 -10.179 1.00 10.21 C ATOM 1212 NZ LYS A 79 28.022 -10.920 -10.850 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.212 -5.944 -9.495 1.00 35.35 H new ATOM 0 HA LYS A 79 28.659 -6.013 -12.404 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.381 -8.110 -10.667 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.099 -8.289 -12.256 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.273 -7.319 -11.003 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.458 -7.944 -9.584 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.844 -9.653 -12.076 1.00 24.30 H new ATOM 0 HD3 LYS A 79 31.085 -9.541 -10.844 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.916 -11.378 -10.028 1.00 10.21 H new ATOM 0 HE3 LYS A 79 29.052 -10.103 -9.193 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 27.394 -11.381 -10.161 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 27.548 -10.082 -11.243 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 28.241 -11.586 -11.618 1.00 45.34 H new ATOM 1225 N MET A 80 25.903 -5.220 -11.012 1.00 75.05 N ATOM 1226 CA MET A 80 24.538 -4.781 -11.249 1.00 44.10 C ATOM 1227 C MET A 80 24.447 -3.934 -12.520 1.00 15.21 C ATOM 1228 O MET A 80 24.571 -2.711 -12.465 1.00 11.50 O ATOM 1229 CB MET A 80 24.051 -3.961 -10.052 1.00 41.23 C ATOM 1230 CG MET A 80 23.433 -4.865 -8.983 1.00 12.33 C ATOM 1231 SD MET A 80 21.684 -5.059 -9.283 1.00 55.50 S ATOM 1232 CE MET A 80 21.085 -3.510 -8.629 1.00 4.13 C ATOM 0 H MET A 80 26.265 -5.005 -10.083 1.00 75.05 H new ATOM 0 HA MET A 80 23.909 -5.662 -11.377 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.885 -3.404 -9.625 1.00 41.23 H new ATOM 0 HB3 MET A 80 23.315 -3.228 -10.384 1.00 41.23 H new ATOM 0 HG2 MET A 80 23.922 -5.839 -8.992 1.00 12.33 H new ATOM 0 HG3 MET A 80 23.595 -4.436 -7.994 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.500 -3.697 -7.728 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.930 -2.867 -8.386 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.458 -3.019 -9.373 1.00 4.13 H new ATOM 1242 N ILE A 81 24.231 -4.616 -13.635 1.00 73.13 N ATOM 1243 CA ILE A 81 24.122 -3.942 -14.916 1.00 63.41 C ATOM 1244 C ILE A 81 22.795 -3.185 -14.979 1.00 63.43 C ATOM 1245 O ILE A 81 21.877 -3.591 -15.688 1.00 21.32 O ATOM 1246 CB ILE A 81 24.318 -4.936 -16.063 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.792 -5.321 -16.211 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.736 -4.388 -17.368 1.00 43.10 C ATOM 1249 CD1 ILE A 81 26.657 -4.088 -16.476 1.00 64.30 C ATOM 0 H ILE A 81 24.129 -5.630 -13.677 1.00 73.13 H new ATOM 0 HA ILE A 81 24.916 -3.203 -15.026 1.00 63.41 H new ATOM 0 HB ILE A 81 23.770 -5.847 -15.822 1.00 65.11 H new ATOM 0 HG12 ILE A 81 26.134 -5.821 -15.305 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.905 -6.032 -17.030 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.888 -5.113 -18.167 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.669 -4.206 -17.242 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.236 -3.454 -17.625 1.00 43.10 H new ATOM 0 HD11 ILE A 81 27.700 -4.390 -16.577 1.00 64.30 H new ATOM 0 HD12 ILE A 81 26.329 -3.604 -17.396 1.00 64.30 H new ATOM 0 HD13 ILE A 81 26.560 -3.390 -15.644 1.00 64.30 H new ATOM 1261 N PHE A 82 22.735 -2.096 -14.225 1.00 51.30 N ATOM 1262 CA PHE A 82 21.535 -1.279 -14.185 1.00 2.04 C ATOM 1263 C PHE A 82 21.887 0.210 -14.149 1.00 11.53 C ATOM 1264 O PHE A 82 22.981 0.584 -13.730 1.00 33.35 O ATOM 1265 CB PHE A 82 20.786 -1.644 -12.902 1.00 11.41 C ATOM 1266 CG PHE A 82 19.311 -1.239 -12.904 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.520 -1.560 -13.964 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.791 -0.558 -11.849 1.00 64.53 C ATOM 1269 CE1 PHE A 82 17.150 -1.184 -13.966 1.00 21.13 C ATOM 1270 CE2 PHE A 82 17.422 -0.183 -11.851 1.00 62.32 C ATOM 1271 CZ PHE A 82 16.630 -0.504 -12.910 1.00 52.30 C ATOM 0 H PHE A 82 23.499 -1.761 -13.637 1.00 51.30 H new ATOM 0 HA PHE A 82 20.931 -1.462 -15.074 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.856 -2.721 -12.747 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.282 -1.167 -12.056 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.933 -2.100 -14.803 1.00 24.33 H new ATOM 0 HD2 PHE A 82 19.420 -0.302 -11.009 1.00 64.53 H new ATOM 0 HE1 PHE A 82 16.522 -1.438 -14.807 1.00 21.13 H new ATOM 0 HE2 PHE A 82 17.009 0.357 -11.012 1.00 62.32 H new ATOM 0 HZ PHE A 82 15.588 -0.219 -12.912 1.00 52.30 H new ATOM 1281 N VAL A 83 20.938 1.021 -14.594 1.00 11.14 N ATOM 1282 CA VAL A 83 21.133 2.461 -14.618 1.00 50.45 C ATOM 1283 C VAL A 83 20.315 3.101 -13.496 1.00 64.23 C ATOM 1284 O VAL A 83 20.691 4.147 -12.968 1.00 22.41 O ATOM 1285 CB VAL A 83 20.786 3.013 -16.002 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.589 2.303 -17.094 1.00 12.30 C ATOM 1287 CG2 VAL A 83 19.283 2.909 -16.272 1.00 22.20 C ATOM 0 H VAL A 83 20.031 0.708 -14.941 1.00 11.14 H new ATOM 0 HA VAL A 83 22.179 2.708 -14.438 1.00 50.45 H new ATOM 0 HB VAL A 83 21.058 4.068 -16.019 1.00 72.20 H new ATOM 0 HG11 VAL A 83 21.323 2.715 -18.067 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.654 2.451 -16.917 1.00 12.30 H new ATOM 0 HG13 VAL A 83 21.363 1.237 -17.077 1.00 12.30 H new ATOM 0 HG21 VAL A 83 19.063 3.308 -17.262 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.976 1.864 -16.225 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.738 3.481 -15.521 1.00 22.20 H new ATOM 1297 N GLY A 84 19.212 2.447 -13.164 1.00 42.12 N ATOM 1298 CA GLY A 84 18.337 2.939 -12.114 1.00 22.32 C ATOM 1299 C GLY A 84 16.915 3.149 -12.638 1.00 4.23 C ATOM 1300 O GLY A 84 16.633 2.875 -13.803 1.00 44.21 O ATOM 0 H GLY A 84 18.904 1.580 -13.604 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.322 2.230 -11.286 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.726 3.879 -11.722 1.00 22.32 H new ATOM 1304 N ILE A 85 16.057 3.634 -11.752 1.00 0.21 N ATOM 1305 CA ILE A 85 14.672 3.884 -12.111 1.00 22.34 C ATOM 1306 C ILE A 85 14.392 5.386 -12.035 1.00 73.43 C ATOM 1307 O ILE A 85 14.872 6.065 -11.128 1.00 55.21 O ATOM 1308 CB ILE A 85 13.733 3.039 -11.246 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.144 1.566 -11.269 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.275 3.236 -11.666 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.605 0.828 -10.042 1.00 71.13 C ATOM 0 H ILE A 85 16.295 3.860 -10.786 1.00 0.21 H new ATOM 0 HA ILE A 85 14.484 3.576 -13.140 1.00 22.34 H new ATOM 0 HB ILE A 85 13.819 3.380 -10.214 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.768 1.094 -12.176 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.231 1.488 -11.296 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.629 2.625 -11.036 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.003 4.286 -11.554 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.153 2.938 -12.707 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.911 -0.217 -10.083 1.00 71.13 H new ATOM 0 HD12 ILE A 85 14.003 1.288 -9.137 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.517 0.887 -10.031 1.00 71.13 H new ATOM 1323 N LYS A 86 13.619 5.861 -13.001 1.00 70.13 N ATOM 1324 CA LYS A 86 13.270 7.271 -13.054 1.00 52.41 C ATOM 1325 C LYS A 86 12.140 7.551 -12.063 1.00 72.24 C ATOM 1326 O LYS A 86 12.348 8.221 -11.052 1.00 12.14 O ATOM 1327 CB LYS A 86 12.946 7.688 -14.490 1.00 14.22 C ATOM 1328 CG LYS A 86 14.218 7.781 -15.336 1.00 24.43 C ATOM 1329 CD LYS A 86 13.880 7.953 -16.817 1.00 71.23 C ATOM 1330 CE LYS A 86 15.079 7.595 -17.698 1.00 51.35 C ATOM 1331 NZ LYS A 86 15.575 6.239 -17.373 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.225 5.295 -13.753 1.00 70.13 H new ATOM 0 HA LYS A 86 14.118 7.885 -12.751 1.00 52.41 H new ATOM 0 HB2 LYS A 86 12.261 6.967 -14.936 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.437 8.652 -14.486 1.00 14.22 H new ATOM 0 HG2 LYS A 86 14.823 8.622 -14.998 1.00 24.43 H new ATOM 0 HG3 LYS A 86 14.817 6.881 -15.198 1.00 24.43 H new ATOM 0 HD2 LYS A 86 13.032 7.319 -17.076 1.00 71.23 H new ATOM 0 HD3 LYS A 86 13.579 8.983 -17.008 1.00 71.23 H new ATOM 0 HE2 LYS A 86 14.792 7.642 -18.749 1.00 51.35 H new ATOM 0 HE3 LYS A 86 15.876 8.325 -17.552 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 15.836 5.745 -18.250 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 16.409 6.313 -16.756 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 14.829 5.704 -16.884 1.00 32.04 H new ATOM 1344 N LYS A 87 10.968 7.023 -12.385 1.00 51.43 N ATOM 1345 CA LYS A 87 9.805 7.209 -11.534 1.00 71.11 C ATOM 1346 C LYS A 87 10.123 6.702 -10.125 1.00 30.25 C ATOM 1347 O LYS A 87 10.241 5.497 -9.907 1.00 52.34 O ATOM 1348 CB LYS A 87 8.573 6.551 -12.160 1.00 51.42 C ATOM 1349 CG LYS A 87 7.946 7.460 -13.220 1.00 42.12 C ATOM 1350 CD LYS A 87 6.585 6.923 -13.665 1.00 3.45 C ATOM 1351 CE LYS A 87 5.789 7.997 -14.409 1.00 15.15 C ATOM 1352 NZ LYS A 87 6.101 7.966 -15.855 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.799 6.467 -13.223 1.00 51.43 H new ATOM 0 HA LYS A 87 9.563 8.268 -11.446 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.854 5.600 -12.612 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.840 6.331 -11.384 1.00 51.42 H new ATOM 0 HG2 LYS A 87 7.830 8.467 -12.819 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.611 7.534 -14.080 1.00 42.12 H new ATOM 0 HD2 LYS A 87 6.725 6.056 -14.311 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.022 6.584 -12.796 1.00 3.45 H new ATOM 0 HE2 LYS A 87 4.722 7.837 -14.258 1.00 15.15 H new ATOM 0 HE3 LYS A 87 6.024 8.980 -14.001 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 5.552 8.701 -16.344 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 7.117 8.141 -15.995 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.854 7.033 -16.244 1.00 2.13 H new ATOM 1365 N LYS A 88 10.251 7.648 -9.207 1.00 73.34 N ATOM 1366 CA LYS A 88 10.553 7.313 -7.826 1.00 10.55 C ATOM 1367 C LYS A 88 9.400 6.497 -7.240 1.00 15.32 C ATOM 1368 O LYS A 88 9.560 5.834 -6.216 1.00 51.24 O ATOM 1369 CB LYS A 88 10.881 8.576 -7.027 1.00 73.43 C ATOM 1370 CG LYS A 88 9.617 9.177 -6.408 1.00 35.34 C ATOM 1371 CD LYS A 88 8.687 9.733 -7.491 1.00 1.31 C ATOM 1372 CE LYS A 88 7.326 10.111 -6.902 1.00 44.14 C ATOM 1373 NZ LYS A 88 7.364 11.485 -6.353 1.00 21.31 N1+ ATOM 0 H LYS A 88 10.151 8.646 -9.392 1.00 73.34 H new ATOM 0 HA LYS A 88 11.445 6.689 -7.772 1.00 10.55 H new ATOM 0 HB2 LYS A 88 11.597 8.337 -6.241 1.00 73.43 H new ATOM 0 HB3 LYS A 88 11.356 9.310 -7.678 1.00 73.43 H new ATOM 0 HG2 LYS A 88 9.093 8.416 -5.830 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.890 9.972 -5.715 1.00 35.34 H new ATOM 0 HD2 LYS A 88 9.143 10.608 -7.953 1.00 1.31 H new ATOM 0 HD3 LYS A 88 8.554 8.990 -8.278 1.00 1.31 H new ATOM 0 HE2 LYS A 88 6.558 10.042 -7.672 1.00 44.14 H new ATOM 0 HE3 LYS A 88 7.054 9.406 -6.116 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 6.433 11.727 -5.957 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 8.084 11.540 -5.604 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 7.602 12.155 -7.112 1.00 21.31 H new ATOM 1386 N GLU A 89 8.261 6.572 -7.914 1.00 4.13 N ATOM 1387 CA GLU A 89 7.081 5.848 -7.472 1.00 30.31 C ATOM 1388 C GLU A 89 7.144 4.394 -7.943 1.00 34.03 C ATOM 1389 O GLU A 89 6.407 3.544 -7.443 1.00 20.11 O ATOM 1390 CB GLU A 89 5.803 6.530 -7.967 1.00 13.22 C ATOM 1391 CG GLU A 89 4.561 5.854 -7.384 1.00 72.24 C ATOM 1392 CD GLU A 89 3.290 6.616 -7.770 1.00 43.14 C ATOM 1393 OE1 GLU A 89 3.375 7.730 -8.308 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.186 6.009 -7.494 1.00 73.44 O1- ATOM 0 H GLU A 89 8.131 7.123 -8.762 1.00 4.13 H new ATOM 0 HA GLU A 89 7.060 5.856 -6.382 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.815 7.583 -7.684 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.765 6.493 -9.056 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.498 4.828 -7.745 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.645 5.805 -6.298 1.00 72.24 H new ATOM 1402 N GLU A 90 8.030 4.152 -8.898 1.00 5.05 N ATOM 1403 CA GLU A 90 8.198 2.814 -9.441 1.00 64.24 C ATOM 1404 C GLU A 90 9.121 1.989 -8.542 1.00 42.35 C ATOM 1405 O GLU A 90 9.202 0.770 -8.682 1.00 45.31 O ATOM 1406 CB GLU A 90 8.731 2.868 -10.874 1.00 25.43 C ATOM 1407 CG GLU A 90 7.601 3.136 -11.870 1.00 31.10 C ATOM 1408 CD GLU A 90 7.962 2.615 -13.262 1.00 25.43 C ATOM 1409 OE1 GLU A 90 9.124 2.259 -13.509 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.985 2.587 -14.104 1.00 24.22 O1- ATOM 0 H GLU A 90 8.639 4.859 -9.310 1.00 5.05 H new ATOM 0 HA GLU A 90 7.223 2.328 -9.470 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.486 3.650 -10.956 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.221 1.926 -11.119 1.00 25.43 H new ATOM 0 HG2 GLU A 90 6.685 2.656 -11.524 1.00 31.10 H new ATOM 0 HG3 GLU A 90 7.401 4.206 -11.919 1.00 31.10 H new ATOM 1418 N ARG A 91 9.795 2.687 -7.640 1.00 31.35 N ATOM 1419 CA ARG A 91 10.709 2.033 -6.719 1.00 20.15 C ATOM 1420 C ARG A 91 10.014 1.762 -5.384 1.00 3.32 C ATOM 1421 O ARG A 91 10.340 0.795 -4.696 1.00 1.04 O ATOM 1422 CB ARG A 91 11.951 2.894 -6.474 1.00 14.11 C ATOM 1423 CG ARG A 91 12.406 3.581 -7.762 1.00 42.25 C ATOM 1424 CD ARG A 91 13.544 4.565 -7.487 1.00 41.32 C ATOM 1425 NE ARG A 91 13.499 5.678 -8.461 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.241 6.802 -8.363 1.00 1.11 C ATOM 1427 NH1 ARG A 91 15.093 6.971 -7.330 1.00 41.21 N ATOM 1428 NH2 ARG A 91 14.119 7.732 -9.291 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.727 3.698 -7.527 1.00 31.35 H new ATOM 0 HA ARG A 91 11.017 1.089 -7.170 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.733 3.645 -5.715 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.757 2.272 -6.085 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.735 2.831 -8.481 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.566 4.109 -8.213 1.00 42.25 H new ATOM 0 HD2 ARG A 91 13.461 4.955 -6.473 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.503 4.052 -7.553 1.00 41.32 H new ATOM 0 HE ARG A 91 12.867 5.591 -9.257 1.00 5.33 H new ATOM 0 HH11 ARG A 91 15.180 6.247 -6.617 1.00 41.21 H new ATOM 0 HH12 ARG A 91 15.650 7.823 -7.263 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.472 7.596 -10.067 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.672 8.587 -9.232 1.00 32.24 H new ATOM 1441 N ALA A 92 9.069 2.631 -5.057 1.00 43.14 N ATOM 1442 CA ALA A 92 8.325 2.496 -3.817 1.00 61.50 C ATOM 1443 C ALA A 92 7.386 1.292 -3.918 1.00 12.24 C ATOM 1444 O ALA A 92 6.957 0.748 -2.902 1.00 11.23 O ATOM 1445 CB ALA A 92 7.574 3.798 -3.528 1.00 62.14 C ATOM 0 H ALA A 92 8.802 3.432 -5.630 1.00 43.14 H new ATOM 0 HA ALA A 92 9.002 2.317 -2.981 1.00 61.50 H new ATOM 0 HB1 ALA A 92 7.015 3.697 -2.597 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.288 4.617 -3.436 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.883 4.009 -4.345 1.00 62.14 H new ATOM 1451 N ASP A 93 7.096 0.911 -5.154 1.00 75.33 N ATOM 1452 CA ASP A 93 6.218 -0.220 -5.401 1.00 73.40 C ATOM 1453 C ASP A 93 7.056 -1.490 -5.556 1.00 31.00 C ATOM 1454 O ASP A 93 6.659 -2.561 -5.100 1.00 62.34 O ATOM 1455 CB ASP A 93 5.416 -0.022 -6.689 1.00 62.14 C ATOM 1456 CG ASP A 93 4.326 1.050 -6.615 1.00 74.20 C ATOM 1457 OD1 ASP A 93 3.717 1.412 -7.632 1.00 71.11 O ATOM 1458 OD2 ASP A 93 4.109 1.526 -5.436 1.00 64.24 O1- ATOM 0 H ASP A 93 7.453 1.365 -5.994 1.00 75.33 H new ATOM 0 HA ASP A 93 5.533 -0.304 -4.558 1.00 73.40 H new ATOM 0 HB2 ASP A 93 6.106 0.238 -7.492 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.953 -0.971 -6.960 1.00 62.14 H new ATOM 1464 N LEU A 94 8.203 -1.327 -6.201 1.00 12.24 N ATOM 1465 CA LEU A 94 9.102 -2.447 -6.422 1.00 1.33 C ATOM 1466 C LEU A 94 9.691 -2.894 -5.083 1.00 21.32 C ATOM 1467 O LEU A 94 9.828 -4.090 -4.828 1.00 4.12 O ATOM 1468 CB LEU A 94 10.157 -2.088 -7.469 1.00 1.22 C ATOM 1469 CG LEU A 94 10.680 -3.247 -8.319 1.00 64.13 C ATOM 1470 CD1 LEU A 94 11.977 -2.862 -9.035 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.844 -4.514 -7.478 1.00 54.24 C ATOM 0 H LEU A 94 8.530 -0.437 -6.577 1.00 12.24 H new ATOM 0 HA LEU A 94 8.558 -3.298 -6.831 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.737 -1.335 -8.136 1.00 1.22 H new ATOM 0 HB3 LEU A 94 11.003 -1.626 -6.960 1.00 1.22 H new ATOM 0 HG LEU A 94 9.940 -3.465 -9.089 1.00 64.13 H new ATOM 0 HD11 LEU A 94 12.327 -3.704 -9.632 1.00 14.55 H new ATOM 0 HD12 LEU A 94 11.793 -2.007 -9.686 1.00 14.55 H new ATOM 0 HD13 LEU A 94 12.736 -2.600 -8.298 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.217 -5.322 -8.107 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.552 -4.326 -6.671 1.00 54.24 H new ATOM 0 HD23 LEU A 94 9.880 -4.798 -7.056 1.00 54.24 H new ATOM 1483 N ILE A 95 10.026 -1.910 -4.262 1.00 21.15 N ATOM 1484 CA ILE A 95 10.598 -2.187 -2.954 1.00 63.21 C ATOM 1485 C ILE A 95 9.481 -2.592 -1.990 1.00 63.41 C ATOM 1486 O ILE A 95 9.742 -3.204 -0.956 1.00 23.11 O ATOM 1487 CB ILE A 95 11.428 -0.997 -2.470 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.568 -0.691 -3.443 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.936 -1.227 -1.044 1.00 73.02 C ATOM 1490 CD1 ILE A 95 13.072 0.743 -3.264 1.00 73.24 C ATOM 0 H ILE A 95 9.913 -0.919 -4.477 1.00 21.15 H new ATOM 0 HA ILE A 95 11.291 -3.027 -3.010 1.00 63.21 H new ATOM 0 HB ILE A 95 10.783 -0.118 -2.444 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.387 -1.391 -3.280 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.225 -0.834 -4.468 1.00 32.14 H new ATOM 0 HG21 ILE A 95 12.523 -0.366 -0.724 1.00 73.02 H new ATOM 0 HG22 ILE A 95 11.088 -1.358 -0.372 1.00 73.02 H new ATOM 0 HG23 ILE A 95 12.559 -2.121 -1.020 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.882 0.934 -3.968 1.00 73.24 H new ATOM 0 HD12 ILE A 95 12.256 1.441 -3.451 1.00 73.24 H new ATOM 0 HD13 ILE A 95 13.437 0.876 -2.246 1.00 73.24 H new ATOM 1502 N ALA A 96 8.262 -2.235 -2.363 1.00 32.22 N ATOM 1503 CA ALA A 96 7.105 -2.554 -1.543 1.00 61.14 C ATOM 1504 C ALA A 96 6.779 -4.041 -1.686 1.00 33.13 C ATOM 1505 O ALA A 96 6.410 -4.695 -0.712 1.00 22.11 O ATOM 1506 CB ALA A 96 5.931 -1.659 -1.947 1.00 55.41 C ATOM 0 H ALA A 96 8.049 -1.728 -3.222 1.00 32.22 H new ATOM 0 HA ALA A 96 7.315 -2.362 -0.491 1.00 61.14 H new ATOM 0 HB1 ALA A 96 5.063 -1.898 -1.332 1.00 55.41 H new ATOM 0 HB2 ALA A 96 6.203 -0.614 -1.800 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.690 -1.827 -2.997 1.00 55.41 H new ATOM 1512 N TYR A 97 6.930 -4.534 -2.907 1.00 60.33 N ATOM 1513 CA TYR A 97 6.655 -5.933 -3.189 1.00 13.11 C ATOM 1514 C TYR A 97 7.827 -6.818 -2.757 1.00 22.34 C ATOM 1515 O TYR A 97 7.625 -7.865 -2.145 1.00 64.42 O ATOM 1516 CB TYR A 97 6.489 -6.032 -4.706 1.00 3.14 C ATOM 1517 CG TYR A 97 6.679 -7.445 -5.262 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.140 -8.526 -4.596 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.389 -7.637 -6.430 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.319 -9.856 -5.119 1.00 54.24 C ATOM 1521 CE2 TYR A 97 7.567 -8.967 -6.954 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.024 -10.010 -6.272 1.00 73.54 C ATOM 1523 OH TYR A 97 7.192 -11.267 -6.766 1.00 60.45 O ATOM 0 H TYR A 97 7.239 -3.989 -3.712 1.00 60.33 H new ATOM 0 HA TYR A 97 5.769 -6.268 -2.649 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.495 -5.677 -4.976 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.206 -5.365 -5.184 1.00 3.14 H new ATOM 0 HD1 TYR A 97 5.584 -8.375 -3.683 1.00 21.51 H new ATOM 0 HD2 TYR A 97 7.811 -6.790 -6.951 1.00 74.52 H new ATOM 0 HE1 TYR A 97 5.903 -10.711 -4.607 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.119 -9.132 -7.868 1.00 1.23 H new ATOM 0 HH TYR A 97 6.565 -11.878 -6.326 1.00 60.45 H new ATOM 1533 N LEU A 98 9.025 -6.364 -3.094 1.00 52.20 N ATOM 1534 CA LEU A 98 10.228 -7.102 -2.749 1.00 32.23 C ATOM 1535 C LEU A 98 10.177 -7.492 -1.271 1.00 0.11 C ATOM 1536 O LEU A 98 10.390 -8.652 -0.924 1.00 31.23 O ATOM 1537 CB LEU A 98 11.475 -6.302 -3.130 1.00 12.22 C ATOM 1538 CG LEU A 98 11.887 -6.362 -4.603 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.195 -5.603 -4.839 1.00 55.52 C ATOM 1540 CD2 LEU A 98 11.970 -7.810 -5.090 1.00 14.05 C ATOM 0 H LEU A 98 9.188 -5.495 -3.602 1.00 52.20 H new ATOM 0 HA LEU A 98 10.283 -8.028 -3.322 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.309 -5.259 -2.862 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.309 -6.657 -2.525 1.00 12.22 H new ATOM 0 HG LEU A 98 11.116 -5.866 -5.193 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.465 -5.662 -5.894 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.066 -4.559 -4.555 1.00 55.52 H new ATOM 0 HD13 LEU A 98 13.987 -6.047 -4.237 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.265 -7.825 -6.139 1.00 14.05 H new ATOM 0 HD22 LEU A 98 12.708 -8.351 -4.498 1.00 14.05 H new ATOM 0 HD23 LEU A 98 10.996 -8.287 -4.980 1.00 14.05 H new ATOM 1552 N LYS A 99 9.890 -6.501 -0.440 1.00 42.13 N ATOM 1553 CA LYS A 99 9.807 -6.726 0.993 1.00 65.14 C ATOM 1554 C LYS A 99 8.783 -7.826 1.274 1.00 74.10 C ATOM 1555 O LYS A 99 9.025 -8.711 2.093 1.00 12.40 O ATOM 1556 CB LYS A 99 9.517 -5.414 1.726 1.00 53.10 C ATOM 1557 CG LYS A 99 9.301 -5.657 3.221 1.00 51.40 C ATOM 1558 CD LYS A 99 8.973 -4.351 3.947 1.00 53.31 C ATOM 1559 CE LYS A 99 9.052 -4.533 5.464 1.00 14.20 C ATOM 1560 NZ LYS A 99 7.916 -5.348 5.948 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.712 -5.540 -0.732 1.00 42.13 H new ATOM 0 HA LYS A 99 10.765 -7.075 1.379 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.347 -4.722 1.583 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.632 -4.943 1.299 1.00 53.10 H new ATOM 0 HG2 LYS A 99 8.489 -6.370 3.364 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.197 -6.103 3.654 1.00 51.40 H new ATOM 0 HD2 LYS A 99 9.668 -3.572 3.634 1.00 53.31 H new ATOM 0 HD3 LYS A 99 7.973 -4.017 3.669 1.00 53.31 H new ATOM 0 HE2 LYS A 99 9.993 -5.015 5.730 1.00 14.20 H new ATOM 0 HE3 LYS A 99 9.044 -3.559 5.954 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 7.985 -5.462 6.979 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 7.022 -4.873 5.711 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 7.942 -6.283 5.494 1.00 30.50 H new ATOM 1573 N LYS A 100 7.659 -7.736 0.577 1.00 45.50 N ATOM 1574 CA LYS A 100 6.597 -8.713 0.742 1.00 71.42 C ATOM 1575 C LYS A 100 7.018 -10.032 0.091 1.00 15.31 C ATOM 1576 O LYS A 100 6.457 -11.084 0.394 1.00 13.03 O ATOM 1577 CB LYS A 100 5.273 -8.160 0.210 1.00 23.01 C ATOM 1578 CG LYS A 100 4.083 -8.917 0.804 1.00 62.30 C ATOM 1579 CD LYS A 100 2.773 -8.486 0.142 1.00 21.42 C ATOM 1580 CE LYS A 100 1.576 -9.191 0.784 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.734 -10.660 0.701 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.461 -7.002 -0.103 1.00 45.50 H new ATOM 0 HA LYS A 100 6.429 -8.918 1.799 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.193 -7.101 0.454 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.253 -8.239 -0.877 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.226 -9.989 0.671 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.030 -8.734 1.877 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.654 -7.406 0.231 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.807 -8.716 -0.923 1.00 21.42 H new ATOM 0 HE2 LYS A 100 1.484 -8.888 1.827 1.00 4.03 H new ATOM 0 HE3 LYS A 100 0.657 -8.889 0.282 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.823 -11.119 0.902 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 2.050 -10.922 -0.254 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 2.440 -10.973 1.397 1.00 72.11 H new ATOM 1594 N ALA A 101 8.001 -9.932 -0.792 1.00 64.02 N ATOM 1595 CA ALA A 101 8.504 -11.105 -1.487 1.00 24.13 C ATOM 1596 C ALA A 101 9.447 -11.876 -0.562 1.00 72.45 C ATOM 1597 O ALA A 101 9.449 -13.107 -0.559 1.00 21.11 O ATOM 1598 CB ALA A 101 9.186 -10.673 -2.787 1.00 75.14 C ATOM 0 H ALA A 101 8.462 -9.057 -1.042 1.00 64.02 H new ATOM 0 HA ALA A 101 7.686 -11.774 -1.754 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.564 -11.552 -3.309 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.466 -10.156 -3.421 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.015 -10.003 -2.558 1.00 75.14 H new ATOM 1604 N THR A 102 10.225 -11.122 0.202 1.00 15.34 N ATOM 1605 CA THR A 102 11.169 -11.720 1.130 1.00 4.43 C ATOM 1606 C THR A 102 10.446 -12.214 2.384 1.00 51.23 C ATOM 1607 O THR A 102 10.686 -13.328 2.845 1.00 33.25 O ATOM 1608 CB THR A 102 12.260 -10.689 1.423 1.00 53.10 C ATOM 1609 OG1 THR A 102 11.622 -9.744 2.277 1.00 60.21 O ATOM 1610 CG2 THR A 102 12.644 -9.874 0.187 1.00 73.13 C ATOM 0 H THR A 102 10.220 -10.102 0.197 1.00 15.34 H new ATOM 0 HA THR A 102 11.642 -12.602 0.699 1.00 4.43 H new ATOM 0 HB THR A 102 13.143 -11.196 1.811 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.259 -9.039 2.518 1.00 60.21 H new ATOM 0 HG21 THR A 102 13.422 -9.157 0.451 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.015 -10.543 -0.589 1.00 73.13 H new ATOM 0 HG23 THR A 102 11.769 -9.340 -0.183 1.00 73.13 H new ATOM 1618 N ASN A 103 9.573 -11.360 2.899 1.00 70.44 N ATOM 1619 CA ASN A 103 8.813 -11.696 4.090 1.00 11.44 C ATOM 1620 C ASN A 103 8.359 -13.154 4.007 1.00 44.21 C ATOM 1621 O ASN A 103 8.817 -13.996 4.778 1.00 20.15 O ATOM 1622 CB ASN A 103 7.565 -10.819 4.212 1.00 54.20 C ATOM 1623 CG ASN A 103 6.838 -11.080 5.534 1.00 33.53 C ATOM 1624 OD1 ASN A 103 7.442 -11.250 6.581 1.00 4.43 O ATOM 1625 ND2 ASN A 103 5.513 -11.102 5.427 1.00 23.31 N ATOM 0 H ASN A 103 9.376 -10.437 2.513 1.00 70.44 H new ATOM 0 HA ASN A 103 9.455 -11.534 4.956 1.00 11.44 H new ATOM 0 HB2 ASN A 103 7.847 -9.768 4.149 1.00 54.20 H new ATOM 0 HB3 ASN A 103 6.893 -11.019 3.378 1.00 54.20 H new ATOM 0 HD21 ASN A 103 4.937 -11.269 6.252 1.00 23.31 H new ATOM 0 HD22 ASN A 103 5.072 -10.952 4.520 1.00 23.31 H new ATOM 1632 N GLU A 104 7.463 -13.409 3.064 1.00 23.13 N ATOM 1633 CA GLU A 104 6.943 -14.751 2.870 1.00 54.13 C ATOM 1634 C GLU A 104 8.091 -15.746 2.694 1.00 73.12 C ATOM 1635 O GLU A 104 7.979 -16.906 3.091 1.00 31.02 O ATOM 1636 CB GLU A 104 5.987 -14.802 1.677 1.00 64.13 C ATOM 1637 CG GLU A 104 6.665 -14.276 0.409 1.00 74.30 C ATOM 1638 CD GLU A 104 5.737 -14.401 -0.801 1.00 30.24 C ATOM 1639 OE1 GLU A 104 5.114 -15.455 -0.998 1.00 70.41 O ATOM 1640 OE2 GLU A 104 5.674 -13.353 -1.550 1.00 71.21 O1- ATOM 0 H GLU A 104 7.084 -12.709 2.426 1.00 23.13 H new ATOM 0 HA GLU A 104 6.378 -15.031 3.759 1.00 54.13 H new ATOM 0 HB2 GLU A 104 5.654 -15.827 1.517 1.00 64.13 H new ATOM 0 HB3 GLU A 104 5.099 -14.208 1.892 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.947 -13.232 0.549 1.00 74.30 H new ATOM 0 HG3 GLU A 104 7.584 -14.833 0.226 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.601 -6.893 -8.551 1.00 34.12 FE HETATM 1650 CHA HEC A 500 23.221 -6.938 -6.293 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.572 -5.483 -6.174 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.419 -6.252 -11.023 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.570 -8.777 -10.739 1.00 22.15 C HETATM 1654 NA HEC A 500 20.875 -6.252 -6.615 1.00 31.22 N HETATM 1655 C1A HEC A 500 22.025 -6.372 -5.916 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.793 -5.884 -4.591 1.00 55.42 C HETATM 1657 C3A HEC A 500 20.481 -5.480 -4.522 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.894 -5.741 -5.818 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.819 -4.829 -3.336 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.786 -5.982 -3.469 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.605 -7.222 -2.589 1.00 50.33 C HETATM 1662 CGA HEC A 500 21.138 -7.618 -2.540 1.00 24.15 C HETATM 1663 O1A HEC A 500 20.665 -8.203 -3.536 1.00 51.15 O HETATM 1664 O2A HEC A 500 20.534 -7.400 -1.465 1.00 64.43 O HETATM 1665 NB HEC A 500 18.784 -6.106 -8.574 1.00 15.25 N HETATM 1666 C1B HEC A 500 18.113 -5.625 -7.489 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.798 -5.250 -7.942 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.804 -5.327 -9.320 1.00 22.40 C HETATM 1669 C4B HEC A 500 18.062 -5.922 -9.708 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.643 -4.869 -7.055 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.691 -4.935 -10.269 1.00 55.14 C HETATM 1672 CBB HEC A 500 14.920 -3.666 -9.893 1.00 1.25 C HETATM 1673 NC HEC A 500 20.489 -7.458 -10.537 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.489 -7.074 -11.350 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.681 -7.733 -12.626 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.775 -8.562 -12.492 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.355 -8.275 -11.198 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.730 -7.703 -13.800 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.239 -9.648 -13.454 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.697 -9.128 -14.822 1.00 35.45 C HETATM 1681 ND HEC A 500 22.539 -7.729 -8.507 1.00 31.33 N HETATM 1682 C1D HEC A 500 23.104 -8.469 -9.496 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.416 -8.870 -9.042 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.612 -8.297 -7.810 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.403 -7.601 -7.476 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.416 -9.719 -9.782 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.900 -8.283 -7.025 1.00 14.14 C HETATM 1688 CBD HEC A 500 27.002 -7.554 -7.790 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.992 -6.878 -6.865 1.00 13.34 C HETATM 1690 O1D HEC A 500 27.745 -5.712 -6.495 1.00 32.14 O HETATM 1691 O2D HEC A 500 29.013 -7.516 -6.549 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.981 -10.697 -9.989 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.681 -9.233 -10.721 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 26.311 -9.842 -9.172 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.770 -8.124 -13.501 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.589 -6.673 -14.127 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.145 -8.290 -14.619 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.404 -5.700 -6.392 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.913 -3.997 -6.460 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.774 -4.634 -7.670 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.871 -5.499 -2.478 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 20.331 -3.896 -3.100 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.775 -4.620 -3.571 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 27.530 -8.264 -8.427 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.554 -6.808 -8.446 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.873 -8.605 -15.307 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.534 -8.442 -14.689 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 22.010 -9.967 -15.444 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.457 -3.798 -8.915 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.606 -2.820 -9.859 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.147 -3.476 -10.637 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 23.199 -8.047 -2.982 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 22.969 -7.019 -1.582 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.738 -7.797 -6.063 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 26.213 -9.306 -6.816 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.793 -5.989 -3.887 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 22.705 -5.091 -2.846 1.00 52.15 H new HETATM 0 HHD HEC A 500 23.131 -9.447 -11.390 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.822 -5.839 -11.836 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.872 -5.160 -5.403 1.00 51.40 H new HETATM 0 HHA HEC A 500 24.069 -6.854 -5.613 1.00 70.41 H new HETATM 0 H2A HEC A 500 21.049 -6.766 -0.923 1.00 64.43 H new