USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot -76:sc= 0.55 USER MOD Set 1.2: A 71 MET CE :methyl 169:sc= -1.84 (180deg=-2.55!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.124 (180deg=0) USER MOD Single : A 4 SER OG : rot -160:sc= 0 USER MOD Single : A 5 MET CE :methyl 154:sc= -0.19 (180deg=-0.872) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.068) USER MOD Single : A 18 ASN : amide:sc= 0.531 K(o=0.53,f=-4.1!) USER MOD Single : A 21 TYR OH : rot 120:sc= -0.07 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 43 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0.798) USER MOD Single : A 58 HIS : no HD1:sc= -0.0999 K(o=-0.1,f=-1.4) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -168:sc= -0.023 (180deg=-0.246) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.0049 F(o=-0.57,f=-0.0049) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.489 F(o=-3!,f=-0.49) USER MOD Single : A 108 SER OG : rot 32:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.207 -0.214 2.924 1.00 73.34 N ATOM 2 CA GLY A 1 1.280 -1.270 3.391 1.00 62.13 C ATOM 3 C GLY A 1 1.958 -2.242 4.340 1.00 61.10 C ATOM 4 O GLY A 1 3.155 -2.110 4.609 1.00 24.12 O ATOM 0 H1 GLY A 1 1.887 0.710 3.277 1.00 73.34 H new ATOM 0 H2 GLY A 1 3.164 -0.409 3.282 1.00 73.34 H new ATOM 0 H3 GLY A 1 2.223 -0.201 1.884 1.00 73.34 H new ATOM 0 HA2 GLY A 1 0.428 -0.809 3.891 1.00 62.13 H new ATOM 0 HA3 GLY A 1 0.889 -1.815 2.532 1.00 62.13 H new ATOM 10 N PRO A 2 1.213 -3.227 4.874 1.00 54.02 N ATOM 11 CA PRO A 2 1.764 -4.231 5.796 1.00 54.14 C ATOM 12 C PRO A 2 2.780 -5.151 5.115 1.00 12.11 C ATOM 13 O PRO A 2 2.439 -5.898 4.194 1.00 30.53 O ATOM 14 CB PRO A 2 0.523 -5.030 6.251 1.00 64.44 C ATOM 15 CG PRO A 2 -0.653 -4.195 5.861 1.00 74.42 C ATOM 16 CD PRO A 2 -0.225 -3.435 4.638 1.00 51.33 C ATOM 0 HA PRO A 2 2.309 -3.770 6.620 1.00 54.14 H new ATOM 0 HB2 PRO A 2 0.487 -6.007 5.770 1.00 64.44 H new ATOM 0 HB3 PRO A 2 0.541 -5.205 7.327 1.00 64.44 H new ATOM 0 HG2 PRO A 2 -1.523 -4.818 5.651 1.00 74.42 H new ATOM 0 HG3 PRO A 2 -0.935 -3.516 6.665 1.00 74.42 H new ATOM 0 HD2 PRO A 2 -0.408 -4.001 3.725 1.00 51.33 H new ATOM 0 HD3 PRO A 2 -0.760 -2.491 4.540 1.00 51.33 H new ATOM 24 N GLY A 3 4.030 -5.078 5.564 1.00 32.55 N ATOM 25 CA GLY A 3 5.081 -5.931 5.035 1.00 61.02 C ATOM 26 C GLY A 3 6.456 -5.407 5.388 1.00 31.51 C ATOM 27 O GLY A 3 6.592 -4.255 5.811 1.00 24.10 O ATOM 0 H GLY A 3 4.336 -4.435 6.294 1.00 32.55 H new ATOM 0 HA2 GLY A 3 4.964 -6.940 5.429 1.00 61.02 H new ATOM 0 HA3 GLY A 3 4.984 -5.999 3.951 1.00 61.02 H new ATOM 31 N SER A 4 7.474 -6.248 5.233 1.00 41.20 N ATOM 32 CA SER A 4 8.852 -5.839 5.486 1.00 34.13 C ATOM 33 C SER A 4 9.640 -5.835 4.173 1.00 22.30 C ATOM 34 O SER A 4 9.699 -4.807 3.488 1.00 41.31 O ATOM 35 CB SER A 4 9.509 -6.762 6.527 1.00 5.34 C ATOM 36 OG SER A 4 10.824 -6.328 6.850 1.00 55.43 O ATOM 0 H SER A 4 7.371 -7.217 4.933 1.00 41.20 H new ATOM 0 HA SER A 4 8.855 -4.828 5.894 1.00 34.13 H new ATOM 0 HB2 SER A 4 8.900 -6.785 7.431 1.00 5.34 H new ATOM 0 HB3 SER A 4 9.545 -7.781 6.141 1.00 5.34 H new ATOM 0 HG SER A 4 11.325 -7.071 7.247 1.00 55.43 H new ATOM 42 N MET A 5 10.205 -6.989 3.811 1.00 64.41 N ATOM 43 CA MET A 5 10.937 -7.156 2.564 1.00 24.34 C ATOM 44 C MET A 5 11.612 -8.525 2.534 1.00 51.43 C ATOM 45 O MET A 5 12.065 -9.028 3.563 1.00 54.22 O ATOM 46 CB MET A 5 12.011 -6.078 2.360 1.00 2.21 C ATOM 47 CG MET A 5 12.513 -6.031 0.926 1.00 62.13 C ATOM 48 SD MET A 5 13.996 -5.031 0.716 1.00 65.44 S ATOM 49 CE MET A 5 15.154 -5.996 1.683 1.00 30.13 C ATOM 0 H MET A 5 10.165 -7.834 4.380 1.00 64.41 H new ATOM 0 HA MET A 5 10.207 -7.065 1.760 1.00 24.34 H new ATOM 0 HB2 MET A 5 11.603 -5.105 2.632 1.00 2.21 H new ATOM 0 HB3 MET A 5 12.849 -6.271 3.030 1.00 2.21 H new ATOM 0 HG2 MET A 5 12.718 -7.047 0.588 1.00 62.13 H new ATOM 0 HG3 MET A 5 11.724 -5.636 0.286 1.00 62.13 H new ATOM 0 HE1 MET A 5 16.166 -5.823 1.317 1.00 30.13 H new ATOM 0 HE2 MET A 5 15.091 -5.698 2.730 1.00 30.13 H new ATOM 0 HE3 MET A 5 14.911 -7.055 1.592 1.00 30.13 H new ATOM 59 N VAL A 6 11.702 -9.091 1.339 1.00 42.23 N ATOM 60 CA VAL A 6 12.287 -10.407 1.108 1.00 64.21 C ATOM 61 C VAL A 6 12.734 -10.504 -0.346 1.00 41.01 C ATOM 62 O VAL A 6 12.487 -9.587 -1.131 1.00 75.33 O ATOM 63 CB VAL A 6 11.285 -11.556 1.417 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.241 -11.870 2.912 1.00 60.22 C ATOM 65 CG2 VAL A 6 9.890 -11.207 0.902 1.00 11.52 C ATOM 0 H VAL A 6 11.365 -8.642 0.487 1.00 42.23 H new ATOM 0 HA VAL A 6 13.136 -10.520 1.782 1.00 64.21 H new ATOM 0 HB VAL A 6 11.634 -12.449 0.898 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.531 -12.677 3.094 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.232 -12.175 3.249 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.929 -10.982 3.461 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.204 -12.023 1.128 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.541 -10.295 1.386 1.00 11.52 H new ATOM 0 HG23 VAL A 6 9.928 -11.053 -0.176 1.00 11.52 H new ATOM 75 N ASN A 7 13.394 -11.602 -0.693 1.00 53.22 N ATOM 76 CA ASN A 7 13.849 -11.836 -2.066 1.00 71.21 C ATOM 77 C ASN A 7 12.679 -11.754 -3.044 1.00 44.52 C ATOM 78 O ASN A 7 11.561 -12.138 -2.703 1.00 33.22 O ATOM 79 CB ASN A 7 14.527 -13.208 -2.165 1.00 54.12 C ATOM 80 CG ASN A 7 16.041 -13.129 -2.096 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.712 -12.973 -3.116 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.593 -13.237 -0.898 1.00 52.12 N ATOM 0 H ASN A 7 13.629 -12.351 -0.041 1.00 53.22 H new ATOM 0 HA ASN A 7 14.570 -11.062 -2.330 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.165 -13.845 -1.358 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.236 -13.684 -3.101 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.607 -13.192 -0.798 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.004 -13.366 -0.075 1.00 52.12 H new ATOM 89 N ALA A 8 12.958 -11.271 -4.257 1.00 60.32 N ATOM 90 CA ALA A 8 11.935 -11.027 -5.283 1.00 3.34 C ATOM 91 C ALA A 8 10.912 -12.164 -5.384 1.00 60.24 C ATOM 92 O ALA A 8 9.713 -11.920 -5.546 1.00 14.22 O ATOM 93 CB ALA A 8 12.601 -10.802 -6.640 1.00 31.02 C ATOM 0 H ALA A 8 13.904 -11.036 -4.559 1.00 60.32 H new ATOM 0 HA ALA A 8 11.389 -10.133 -4.983 1.00 3.34 H new ATOM 0 HB1 ALA A 8 11.836 -10.622 -7.395 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.264 -9.939 -6.581 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.179 -11.685 -6.912 1.00 31.02 H new ATOM 99 N PHE A 9 11.385 -13.406 -5.302 1.00 32.01 N ATOM 100 CA PHE A 9 10.499 -14.569 -5.366 1.00 51.44 C ATOM 101 C PHE A 9 9.555 -14.575 -4.169 1.00 64.40 C ATOM 102 O PHE A 9 8.339 -14.697 -4.315 1.00 61.22 O ATOM 103 CB PHE A 9 11.316 -15.872 -5.398 1.00 13.33 C ATOM 104 CG PHE A 9 10.485 -17.123 -5.552 1.00 33.31 C ATOM 105 CD1 PHE A 9 9.968 -17.786 -4.445 1.00 60.44 C ATOM 106 CD2 PHE A 9 10.220 -17.629 -6.812 1.00 74.23 C ATOM 107 CE1 PHE A 9 9.206 -18.930 -4.601 1.00 44.20 C ATOM 108 CE2 PHE A 9 9.460 -18.772 -6.971 1.00 51.30 C ATOM 109 CZ PHE A 9 8.952 -19.423 -5.865 1.00 62.30 C ATOM 0 H PHE A 9 12.373 -13.634 -5.191 1.00 32.01 H new ATOM 0 HA PHE A 9 9.912 -14.505 -6.282 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.029 -15.820 -6.221 1.00 13.33 H new ATOM 0 HB3 PHE A 9 11.896 -15.946 -4.478 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.163 -17.404 -3.454 1.00 60.44 H new ATOM 0 HD2 PHE A 9 10.612 -17.124 -7.683 1.00 74.23 H new ATOM 0 HE1 PHE A 9 8.810 -19.437 -3.734 1.00 44.20 H new ATOM 0 HE2 PHE A 9 9.263 -19.156 -7.961 1.00 51.30 H new ATOM 0 HZ PHE A 9 8.357 -20.316 -5.988 1.00 62.30 H new ATOM 119 N LEU A 10 10.132 -14.405 -2.987 1.00 11.31 N ATOM 120 CA LEU A 10 9.385 -14.476 -1.739 1.00 65.43 C ATOM 121 C LEU A 10 8.397 -13.319 -1.636 1.00 12.34 C ATOM 122 O LEU A 10 7.267 -13.489 -1.177 1.00 22.41 O ATOM 123 CB LEU A 10 10.354 -14.476 -0.544 1.00 53.03 C ATOM 124 CG LEU A 10 11.201 -15.753 -0.376 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.302 -16.977 -0.276 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.209 -15.916 -1.515 1.00 5.43 C ATOM 0 H LEU A 10 11.127 -14.215 -2.867 1.00 11.31 H new ATOM 0 HA LEU A 10 8.815 -15.405 -1.724 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.028 -13.625 -0.645 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.778 -14.320 0.368 1.00 53.03 H new ATOM 0 HG LEU A 10 11.767 -15.656 0.551 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.915 -17.870 -0.158 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.641 -16.874 0.585 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.704 -17.065 -1.183 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.787 -16.827 -1.361 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.678 -15.979 -2.465 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.881 -15.058 -1.532 1.00 5.43 H new ATOM 138 N ALA A 11 8.827 -12.146 -2.085 1.00 51.23 N ATOM 139 CA ALA A 11 7.966 -10.972 -2.111 1.00 43.20 C ATOM 140 C ALA A 11 6.778 -11.218 -3.031 1.00 60.02 C ATOM 141 O ALA A 11 5.639 -10.870 -2.708 1.00 21.33 O ATOM 142 CB ALA A 11 8.750 -9.744 -2.555 1.00 15.33 C ATOM 0 H ALA A 11 9.770 -11.983 -2.437 1.00 51.23 H new ATOM 0 HA ALA A 11 7.592 -10.787 -1.104 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.090 -8.876 -2.568 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.570 -9.565 -1.860 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.151 -9.910 -3.555 1.00 15.33 H new ATOM 148 N LYS A 12 7.055 -11.850 -4.167 1.00 75.22 N ATOM 149 CA LYS A 12 6.020 -12.189 -5.128 1.00 3.03 C ATOM 150 C LYS A 12 5.017 -13.153 -4.502 1.00 75.15 C ATOM 151 O LYS A 12 3.811 -12.955 -4.615 1.00 72.25 O ATOM 152 CB LYS A 12 6.639 -12.812 -6.387 1.00 62.31 C ATOM 153 CG LYS A 12 5.637 -13.096 -7.504 1.00 64.45 C ATOM 154 CD LYS A 12 4.917 -11.830 -7.973 1.00 25.11 C ATOM 155 CE LYS A 12 5.883 -10.773 -8.503 1.00 55.23 C ATOM 156 NZ LYS A 12 6.656 -11.259 -9.676 1.00 30.21 N ATOM 0 H LYS A 12 7.994 -12.138 -4.442 1.00 75.22 H new ATOM 0 HA LYS A 12 5.499 -11.275 -5.414 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.410 -12.143 -6.768 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.133 -13.744 -6.112 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.156 -13.550 -8.348 1.00 64.45 H new ATOM 0 HG3 LYS A 12 4.902 -13.821 -7.154 1.00 64.45 H new ATOM 0 HD2 LYS A 12 4.203 -12.090 -8.754 1.00 25.11 H new ATOM 0 HD3 LYS A 12 4.345 -11.413 -7.144 1.00 25.11 H new ATOM 0 HE2 LYS A 12 5.324 -9.880 -8.783 1.00 55.23 H new ATOM 0 HE3 LYS A 12 6.572 -10.483 -7.710 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 7.210 -10.475 -10.076 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 7.299 -12.020 -9.377 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 6.001 -11.622 -10.397 1.00 30.21 H new ATOM 170 N ILE A 13 5.526 -14.181 -3.828 1.00 44.14 N ATOM 171 CA ILE A 13 4.678 -15.183 -3.188 1.00 31.13 C ATOM 172 C ILE A 13 3.786 -14.540 -2.124 1.00 54.15 C ATOM 173 O ILE A 13 2.573 -14.733 -2.124 1.00 11.24 O ATOM 174 CB ILE A 13 5.517 -16.317 -2.541 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.340 -17.066 -3.606 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.618 -17.294 -1.780 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.505 -17.873 -4.577 1.00 1.42 C ATOM 0 H ILE A 13 6.526 -14.342 -3.711 1.00 44.14 H new ATOM 0 HA ILE A 13 4.054 -15.618 -3.969 1.00 31.13 H new ATOM 0 HB ILE A 13 6.206 -15.860 -1.831 1.00 33.44 H new ATOM 0 HG12 ILE A 13 6.933 -16.343 -4.167 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.041 -17.733 -3.105 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.229 -18.080 -1.335 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.084 -16.760 -0.993 1.00 34.00 H new ATOM 0 HG23 ILE A 13 3.899 -17.739 -2.468 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.159 -18.369 -5.294 1.00 1.42 H new ATOM 0 HD12 ILE A 13 4.932 -18.622 -4.030 1.00 1.42 H new ATOM 0 HD13 ILE A 13 4.822 -17.210 -5.108 1.00 1.42 H new ATOM 189 N ALA A 14 4.395 -13.772 -1.227 1.00 10.43 N ATOM 190 CA ALA A 14 3.663 -13.106 -0.154 1.00 65.03 C ATOM 191 C ALA A 14 2.556 -12.211 -0.717 1.00 45.24 C ATOM 192 O ALA A 14 1.405 -12.278 -0.277 1.00 22.51 O ATOM 193 CB ALA A 14 4.625 -12.299 0.716 1.00 21.21 C ATOM 0 H ALA A 14 5.399 -13.594 -1.222 1.00 10.43 H new ATOM 0 HA ALA A 14 3.189 -13.868 0.465 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.068 -11.806 1.513 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.369 -12.966 1.151 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.125 -11.548 0.105 1.00 21.21 H new ATOM 199 N ALA A 15 2.905 -11.392 -1.706 1.00 74.24 N ATOM 200 CA ALA A 15 1.946 -10.472 -2.316 1.00 32.11 C ATOM 201 C ALA A 15 0.843 -11.232 -3.056 1.00 51.43 C ATOM 202 O ALA A 15 -0.347 -10.958 -2.869 1.00 74.42 O ATOM 203 CB ALA A 15 2.661 -9.512 -3.262 1.00 53.00 C ATOM 0 H ALA A 15 3.844 -11.346 -2.102 1.00 74.24 H new ATOM 0 HA ALA A 15 1.477 -9.895 -1.519 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.935 -8.833 -3.709 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.401 -8.937 -2.706 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.159 -10.079 -4.048 1.00 53.00 H new ATOM 209 N TRP A 16 1.260 -12.190 -3.872 1.00 42.31 N ATOM 210 CA TRP A 16 0.356 -13.001 -4.688 1.00 14.44 C ATOM 211 C TRP A 16 -0.615 -13.799 -3.811 1.00 61.31 C ATOM 212 O TRP A 16 -1.798 -13.925 -4.136 1.00 4.24 O ATOM 213 CB TRP A 16 1.211 -13.910 -5.596 1.00 24.40 C ATOM 214 CG TRP A 16 0.603 -15.221 -5.991 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.297 -15.461 -6.987 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.899 -16.489 -5.404 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.585 -16.801 -7.047 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.140 -17.454 -6.080 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.734 -16.891 -4.362 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.198 -18.808 -5.749 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.791 -18.229 -4.034 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.027 -19.173 -4.721 1.00 12.14 C ATOM 0 H TRP A 16 2.244 -12.431 -3.990 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.265 -12.360 -5.313 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.450 -13.357 -6.504 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.154 -14.111 -5.087 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.721 -14.707 -7.634 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.232 -17.240 -7.702 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.326 -16.167 -3.821 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.389 -19.541 -6.283 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.438 -18.552 -3.232 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.090 -20.213 -4.437 1.00 12.14 H new ATOM 233 N LEU A 17 -0.114 -14.314 -2.693 1.00 61.21 N ATOM 234 CA LEU A 17 -0.946 -15.036 -1.734 1.00 62.45 C ATOM 235 C LEU A 17 -1.899 -14.086 -1.015 1.00 2.03 C ATOM 236 O LEU A 17 -3.098 -14.351 -0.918 1.00 1.20 O ATOM 237 CB LEU A 17 -0.064 -15.786 -0.721 1.00 54.03 C ATOM 238 CG LEU A 17 0.055 -17.295 -0.972 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.165 -17.902 -0.125 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.283 -17.976 -0.689 1.00 20.20 C ATOM 0 H LEU A 17 0.868 -14.245 -2.427 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.545 -15.764 -2.281 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.934 -15.349 -0.735 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.467 -15.628 0.279 1.00 54.03 H new ATOM 0 HG LEU A 17 0.314 -17.456 -2.018 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.229 -18.972 -0.321 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.115 -17.430 -0.377 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.948 -17.739 0.931 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.191 -19.047 -0.869 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.565 -17.806 0.350 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.048 -17.562 -1.346 1.00 20.20 H new ATOM 252 N ASN A 18 -1.361 -12.972 -0.529 1.00 65.13 N ATOM 253 CA ASN A 18 -2.157 -11.972 0.183 1.00 45.11 C ATOM 254 C ASN A 18 -3.225 -11.386 -0.745 1.00 52.24 C ATOM 255 O ASN A 18 -4.258 -10.889 -0.291 1.00 12.31 O ATOM 256 CB ASN A 18 -1.246 -10.861 0.721 1.00 44.01 C ATOM 257 CG ASN A 18 -1.983 -9.842 1.580 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.962 -9.912 2.806 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.658 -8.901 0.942 1.00 62.40 N ATOM 0 H ASN A 18 -0.372 -12.736 -0.615 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.657 -12.452 1.024 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.445 -11.310 1.308 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.777 -10.347 -0.118 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.183 -8.203 1.469 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -2.654 -8.873 -0.078 1.00 62.40 H new ATOM 266 N ALA A 19 -2.962 -11.440 -2.048 1.00 61.24 N ATOM 267 CA ALA A 19 -3.924 -10.997 -3.053 1.00 24.21 C ATOM 268 C ALA A 19 -4.975 -12.079 -3.297 1.00 11.54 C ATOM 269 O ALA A 19 -6.154 -11.785 -3.497 1.00 11.42 O ATOM 270 CB ALA A 19 -3.208 -10.632 -4.354 1.00 61.32 C ATOM 0 H ALA A 19 -2.085 -11.789 -2.434 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.430 -10.106 -2.682 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.940 -10.304 -5.092 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.497 -9.827 -4.165 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.676 -11.504 -4.733 1.00 61.32 H new ATOM 276 N GLY A 20 -4.530 -13.335 -3.266 1.00 74.52 N ATOM 277 CA GLY A 20 -5.430 -14.459 -3.461 1.00 23.12 C ATOM 278 C GLY A 20 -6.329 -14.690 -2.262 1.00 55.43 C ATOM 279 O GLY A 20 -7.420 -15.258 -2.391 1.00 43.31 O ATOM 0 H GLY A 20 -3.556 -13.594 -3.108 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.044 -14.281 -4.344 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -4.847 -15.359 -3.654 1.00 23.12 H new ATOM 283 N TYR A 21 -5.862 -14.260 -1.091 1.00 62.21 N ATOM 284 CA TYR A 21 -6.623 -14.370 0.149 1.00 10.20 C ATOM 285 C TYR A 21 -6.459 -13.108 1.001 1.00 4.45 C ATOM 286 O TYR A 21 -5.702 -13.105 1.972 1.00 64.21 O ATOM 287 CB TYR A 21 -6.173 -15.587 0.969 1.00 61.50 C ATOM 288 CG TYR A 21 -6.507 -16.935 0.363 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.773 -17.489 0.511 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.546 -17.671 -0.323 1.00 62.43 C ATOM 291 CE1 TYR A 21 -8.073 -18.733 -0.008 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.841 -18.915 -0.844 1.00 2.43 C ATOM 293 CZ TYR A 21 -7.103 -19.442 -0.685 1.00 65.41 C ATOM 294 OH TYR A 21 -7.402 -20.676 -1.214 1.00 73.14 O ATOM 0 H TYR A 21 -4.946 -13.826 -0.977 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.671 -14.491 -0.125 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -5.094 -15.529 1.113 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.630 -15.528 1.957 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.535 -16.937 1.041 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.554 -17.263 -0.450 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -9.062 -19.149 0.116 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -5.084 -19.473 -1.375 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.266 -20.658 -2.184 1.00 73.14 H new ATOM 304 N PRO A 22 -7.166 -12.018 0.655 1.00 33.03 N ATOM 305 CA PRO A 22 -7.124 -10.773 1.436 1.00 62.52 C ATOM 306 C PRO A 22 -7.895 -10.905 2.751 1.00 1.51 C ATOM 307 O PRO A 22 -7.913 -9.991 3.579 1.00 55.41 O ATOM 308 CB PRO A 22 -7.795 -9.754 0.505 1.00 44.14 C ATOM 309 CG PRO A 22 -8.729 -10.570 -0.326 1.00 13.52 C ATOM 310 CD PRO A 22 -8.050 -11.902 -0.525 1.00 34.34 C ATOM 0 HA PRO A 22 -6.112 -10.492 1.727 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -8.330 -8.991 1.070 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -7.061 -9.237 -0.113 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.690 -10.692 0.173 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.926 -10.085 -1.282 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.771 -12.718 -0.568 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.483 -11.929 -1.456 1.00 34.34 H new ATOM 318 N GLU A 23 -8.540 -12.056 2.925 1.00 61.20 N ATOM 319 CA GLU A 23 -9.344 -12.339 4.114 1.00 14.11 C ATOM 320 C GLU A 23 -8.724 -13.469 4.940 1.00 1.14 C ATOM 321 O GLU A 23 -9.236 -13.823 6.003 1.00 3.25 O ATOM 322 CB GLU A 23 -10.765 -12.728 3.691 1.00 54.54 C ATOM 323 CG GLU A 23 -10.804 -13.901 2.714 1.00 45.01 C ATOM 324 CD GLU A 23 -12.214 -14.314 2.337 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.886 -13.555 1.609 1.00 54.44 O ATOM 326 OE2 GLU A 23 -12.652 -15.409 2.753 1.00 44.43 O ATOM 0 H GLU A 23 -8.521 -12.818 2.248 1.00 61.20 H new ATOM 0 HA GLU A 23 -9.375 -11.441 4.731 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -11.344 -12.984 4.579 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -11.249 -11.866 3.232 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -10.257 -13.632 1.811 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.288 -14.753 3.157 1.00 45.01 H new ATOM 333 N GLY A 24 -7.621 -14.026 4.448 1.00 55.34 N ATOM 334 CA GLY A 24 -7.023 -15.195 5.081 1.00 5.42 C ATOM 335 C GLY A 24 -7.509 -16.481 4.436 1.00 72.15 C ATOM 336 O GLY A 24 -8.557 -16.493 3.781 1.00 1.40 O ATOM 0 H GLY A 24 -7.128 -13.690 3.621 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.937 -15.136 5.006 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -7.270 -15.202 6.143 1.00 5.42 H new ATOM 340 N VAL A 25 -6.759 -17.564 4.619 1.00 31.52 N ATOM 341 CA VAL A 25 -7.087 -18.847 3.993 1.00 42.05 C ATOM 342 C VAL A 25 -7.716 -19.797 5.020 1.00 51.00 C ATOM 343 O VAL A 25 -7.167 -19.976 6.111 1.00 41.02 O ATOM 344 CB VAL A 25 -5.827 -19.531 3.390 1.00 71.20 C ATOM 345 CG1 VAL A 25 -6.208 -20.573 2.345 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.841 -18.507 2.834 1.00 50.32 C ATOM 0 H VAL A 25 -5.918 -17.581 5.196 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.794 -18.639 3.190 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.320 -20.054 4.201 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.305 -21.032 1.943 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.831 -21.340 2.806 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.761 -20.093 1.538 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.974 -19.023 2.422 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -5.324 -17.925 2.049 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.519 -17.840 3.634 1.00 50.32 H new ATOM 356 N PRO A 26 -8.877 -20.404 4.707 1.00 73.25 N ATOM 357 CA PRO A 26 -9.482 -21.425 5.569 1.00 54.21 C ATOM 358 C PRO A 26 -8.700 -22.741 5.515 1.00 64.34 C ATOM 359 O PRO A 26 -7.980 -23.002 4.550 1.00 2.12 O ATOM 360 CB PRO A 26 -10.892 -21.600 4.990 1.00 23.03 C ATOM 361 CG PRO A 26 -10.769 -21.192 3.560 1.00 64.34 C ATOM 362 CD PRO A 26 -9.701 -20.128 3.511 1.00 63.21 C ATOM 0 HA PRO A 26 -9.486 -21.134 6.619 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.231 -22.632 5.079 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.616 -20.980 5.518 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.498 -22.043 2.935 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.717 -20.808 3.183 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -9.113 -20.193 2.596 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -10.131 -19.127 3.543 1.00 63.21 H new ATOM 370 N GLY A 27 -8.853 -23.565 6.552 1.00 3.45 N ATOM 371 CA GLY A 27 -8.126 -24.829 6.652 1.00 3.53 C ATOM 372 C GLY A 27 -8.179 -25.692 5.396 1.00 40.15 C ATOM 373 O GLY A 27 -7.119 -26.087 4.877 1.00 54.14 O ATOM 0 H GLY A 27 -9.477 -23.378 7.337 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.083 -24.616 6.887 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.530 -25.401 7.487 1.00 3.53 H new ATOM 377 N PRO A 28 -9.390 -25.987 4.864 1.00 4.10 N ATOM 378 CA PRO A 28 -9.554 -26.893 3.716 1.00 31.40 C ATOM 379 C PRO A 28 -8.838 -26.381 2.472 1.00 1.42 C ATOM 380 O PRO A 28 -8.596 -27.135 1.534 1.00 5.10 O ATOM 381 CB PRO A 28 -11.076 -26.944 3.493 1.00 12.20 C ATOM 382 CG PRO A 28 -11.599 -25.708 4.143 1.00 51.25 C ATOM 383 CD PRO A 28 -10.696 -25.454 5.318 1.00 54.20 C ATOM 0 HA PRO A 28 -9.119 -27.874 3.909 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.319 -26.965 2.431 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.511 -27.839 3.938 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -11.587 -24.866 3.451 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.632 -25.842 4.464 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.636 -24.392 5.558 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -11.049 -25.964 6.215 1.00 54.20 H new ATOM 391 N ASP A 29 -8.496 -25.096 2.480 1.00 63.12 N ATOM 392 CA ASP A 29 -7.766 -24.484 1.377 1.00 75.13 C ATOM 393 C ASP A 29 -6.301 -24.285 1.761 1.00 41.35 C ATOM 394 O ASP A 29 -5.421 -24.267 0.898 1.00 20.04 O ATOM 395 CB ASP A 29 -8.412 -23.149 0.979 1.00 13.15 C ATOM 396 CG ASP A 29 -9.827 -23.329 0.436 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.768 -23.463 1.249 1.00 33.11 O ATOM 398 OD2 ASP A 29 -10.004 -23.353 -0.802 1.00 42.44 O ATOM 0 H ASP A 29 -8.715 -24.456 3.243 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.809 -25.151 0.516 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.439 -22.488 1.846 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.795 -22.660 0.225 1.00 13.15 H new ATOM 403 N ARG A 30 -6.039 -24.174 3.066 1.00 54.40 N ATOM 404 CA ARG A 30 -4.677 -24.028 3.577 1.00 24.35 C ATOM 405 C ARG A 30 -3.856 -25.285 3.309 1.00 11.25 C ATOM 406 O ARG A 30 -2.723 -25.200 2.826 1.00 45.02 O ATOM 407 CB ARG A 30 -4.678 -23.729 5.086 1.00 44.21 C ATOM 408 CG ARG A 30 -5.095 -22.306 5.437 1.00 23.22 C ATOM 409 CD ARG A 30 -4.920 -22.009 6.927 1.00 3.15 C ATOM 410 NE ARG A 30 -5.917 -22.692 7.758 1.00 71.13 N ATOM 411 CZ ARG A 30 -5.689 -23.129 9.002 1.00 23.15 C ATOM 412 NH1 ARG A 30 -4.478 -23.014 9.545 1.00 65.41 N ATOM 413 NH2 ARG A 30 -6.672 -23.684 9.700 1.00 74.54 N ATOM 0 H ARG A 30 -6.758 -24.183 3.790 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.223 -23.187 3.052 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.351 -24.427 5.584 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.679 -23.912 5.483 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.502 -21.600 4.855 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.137 -22.154 5.157 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.921 -22.314 7.240 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -4.991 -20.934 7.090 1.00 3.15 H new ATOM 0 HE ARG A 30 -6.845 -22.844 7.362 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.718 -22.591 9.012 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -4.311 -23.349 10.494 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -7.600 -23.777 9.288 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -6.499 -24.017 10.648 1.00 74.54 H new ATOM 427 N VAL A 31 -4.428 -26.448 3.622 1.00 12.44 N ATOM 428 CA VAL A 31 -3.705 -27.712 3.461 1.00 14.30 C ATOM 429 C VAL A 31 -3.240 -27.898 2.000 1.00 1.22 C ATOM 430 O VAL A 31 -2.054 -28.149 1.756 1.00 3.34 O ATOM 431 CB VAL A 31 -4.546 -28.938 3.922 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.698 -30.207 3.934 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.156 -28.694 5.299 1.00 61.25 C ATOM 0 H VAL A 31 -5.377 -26.543 3.984 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.829 -27.658 4.107 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.357 -29.073 3.206 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.308 -31.049 4.260 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.318 -30.400 2.931 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.861 -30.079 4.620 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.739 -29.565 5.598 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.360 -28.523 6.024 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.805 -27.819 5.260 1.00 61.25 H new ATOM 443 N PRO A 32 -4.152 -27.772 0.999 1.00 64.13 N ATOM 444 CA PRO A 32 -3.767 -27.850 -0.416 1.00 15.21 C ATOM 445 C PRO A 32 -2.907 -26.662 -0.844 1.00 21.04 C ATOM 446 O PRO A 32 -2.075 -26.794 -1.741 1.00 13.40 O ATOM 447 CB PRO A 32 -5.107 -27.855 -1.165 1.00 64.15 C ATOM 448 CG PRO A 32 -6.054 -27.186 -0.238 1.00 73.12 C ATOM 449 CD PRO A 32 -5.610 -27.576 1.149 1.00 53.53 C ATOM 0 HA PRO A 32 -3.158 -28.730 -0.624 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.034 -27.320 -2.112 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.429 -28.870 -1.396 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.030 -26.104 -0.367 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.079 -27.507 -0.426 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.838 -26.798 1.878 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.105 -28.486 1.489 1.00 53.53 H new ATOM 457 N LEU A 33 -3.113 -25.504 -0.208 1.00 51.45 N ATOM 458 CA LEU A 33 -2.280 -24.329 -0.482 1.00 71.25 C ATOM 459 C LEU A 33 -0.810 -24.685 -0.274 1.00 22.31 C ATOM 460 O LEU A 33 0.029 -24.442 -1.143 1.00 14.43 O ATOM 461 CB LEU A 33 -2.691 -23.144 0.426 1.00 44.31 C ATOM 462 CG LEU A 33 -2.041 -21.768 0.128 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.605 -21.682 0.650 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.092 -21.458 -1.370 1.00 5.41 C ATOM 0 H LEU A 33 -3.840 -25.356 0.492 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.427 -24.022 -1.518 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.773 -23.028 0.362 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.459 -23.411 1.457 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.622 -21.016 0.661 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.192 -20.700 0.418 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.601 -21.831 1.730 1.00 72.23 H new ATOM 0 HD13 LEU A 33 0.002 -22.453 0.175 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.631 -20.488 -1.557 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.552 -22.229 -1.920 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.130 -21.436 -1.702 1.00 5.41 H new ATOM 476 N LEU A 34 -0.514 -25.297 0.868 1.00 52.24 N ATOM 477 CA LEU A 34 0.849 -25.712 1.173 1.00 54.12 C ATOM 478 C LEU A 34 1.277 -26.857 0.275 1.00 50.24 C ATOM 479 O LEU A 34 2.383 -26.847 -0.264 1.00 13.00 O ATOM 480 CB LEU A 34 1.000 -26.105 2.650 1.00 2.21 C ATOM 481 CG LEU A 34 1.432 -24.965 3.582 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.801 -24.429 3.167 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.391 -23.846 3.600 1.00 74.02 C ATOM 0 H LEU A 34 -1.196 -25.515 1.594 1.00 52.24 H new ATOM 0 HA LEU A 34 1.501 -24.859 0.985 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.049 -26.503 3.004 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.730 -26.911 2.723 1.00 2.21 H new ATOM 0 HG LEU A 34 1.510 -25.362 4.594 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.094 -23.621 3.837 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.537 -25.231 3.222 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.750 -24.052 2.145 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.723 -23.051 4.268 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.269 -23.446 2.593 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.562 -24.241 3.951 1.00 74.02 H new ATOM 495 N ALA A 35 0.395 -27.839 0.107 1.00 22.33 N ATOM 496 CA ALA A 35 0.678 -28.982 -0.755 1.00 2.14 C ATOM 497 C ALA A 35 1.108 -28.514 -2.147 1.00 71.13 C ATOM 498 O ALA A 35 2.010 -29.083 -2.756 1.00 71.44 O ATOM 499 CB ALA A 35 -0.541 -29.896 -0.845 1.00 72.12 C ATOM 0 H ALA A 35 -0.520 -27.866 0.556 1.00 22.33 H new ATOM 0 HA ALA A 35 1.500 -29.549 -0.318 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.313 -30.743 -1.492 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.799 -30.258 0.150 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.383 -29.340 -1.258 1.00 72.12 H new ATOM 505 N LEU A 36 0.450 -27.466 -2.630 1.00 60.32 N ATOM 506 CA LEU A 36 0.747 -26.879 -3.932 1.00 5.22 C ATOM 507 C LEU A 36 2.090 -26.137 -3.904 1.00 32.42 C ATOM 508 O LEU A 36 2.969 -26.382 -4.732 1.00 24.53 O ATOM 509 CB LEU A 36 -0.408 -25.940 -4.341 1.00 43.41 C ATOM 510 CG LEU A 36 -0.382 -25.384 -5.782 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.585 -24.214 -5.918 1.00 3.22 C ATOM 512 CD2 LEU A 36 -0.039 -26.489 -6.783 1.00 70.30 C ATOM 0 H LEU A 36 -0.306 -26.999 -2.129 1.00 60.32 H new ATOM 0 HA LEU A 36 0.835 -27.672 -4.675 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.347 -26.477 -4.202 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.418 -25.095 -3.652 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.381 -25.011 -6.007 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.575 -23.851 -6.946 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.281 -23.411 -5.246 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.592 -24.542 -5.659 1.00 3.22 H new ATOM 0 HD21 LEU A 36 -0.026 -26.075 -7.791 1.00 70.30 H new ATOM 0 HD22 LEU A 36 0.942 -26.902 -6.548 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.788 -27.279 -6.724 1.00 70.30 H new ATOM 524 N LEU A 37 2.242 -25.231 -2.945 1.00 22.00 N ATOM 525 CA LEU A 37 3.428 -24.373 -2.869 1.00 0.21 C ATOM 526 C LEU A 37 4.717 -25.181 -2.653 1.00 50.35 C ATOM 527 O LEU A 37 5.729 -24.934 -3.315 1.00 73.01 O ATOM 528 CB LEU A 37 3.256 -23.319 -1.756 1.00 72.43 C ATOM 529 CG LEU A 37 2.591 -21.997 -2.191 1.00 43.44 C ATOM 530 CD1 LEU A 37 3.536 -21.191 -3.075 1.00 4.05 C ATOM 531 CD2 LEU A 37 1.267 -22.253 -2.907 1.00 24.13 C ATOM 0 H LEU A 37 1.559 -25.068 -2.205 1.00 22.00 H new ATOM 0 HA LEU A 37 3.525 -23.866 -3.829 1.00 0.21 H new ATOM 0 HB2 LEU A 37 2.663 -23.757 -0.953 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.237 -23.092 -1.340 1.00 72.43 H new ATOM 0 HG LEU A 37 2.376 -21.417 -1.294 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.051 -20.261 -3.373 1.00 4.05 H new ATOM 0 HD12 LEU A 37 4.447 -20.964 -2.521 1.00 4.05 H new ATOM 0 HD13 LEU A 37 3.786 -21.771 -3.963 1.00 4.05 H new ATOM 0 HD21 LEU A 37 0.823 -21.302 -3.201 1.00 24.13 H new ATOM 0 HD22 LEU A 37 1.445 -22.860 -3.794 1.00 24.13 H new ATOM 0 HD23 LEU A 37 0.587 -22.779 -2.237 1.00 24.13 H new ATOM 543 N THR A 38 4.664 -26.162 -1.759 1.00 10.21 N ATOM 544 CA THR A 38 5.858 -26.908 -1.360 1.00 5.04 C ATOM 545 C THR A 38 6.396 -27.784 -2.489 1.00 62.54 C ATOM 546 O THR A 38 7.493 -28.330 -2.388 1.00 50.11 O ATOM 547 CB THR A 38 5.583 -27.786 -0.113 1.00 61.23 C ATOM 548 OG1 THR A 38 4.471 -28.655 -0.360 1.00 1.52 O ATOM 549 CG2 THR A 38 5.301 -26.923 1.118 1.00 31.33 C ATOM 0 H THR A 38 3.807 -26.462 -1.295 1.00 10.21 H new ATOM 0 HA THR A 38 6.615 -26.163 -1.115 1.00 5.04 H new ATOM 0 HB THR A 38 6.474 -28.382 0.083 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.637 -28.143 -0.305 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.112 -27.566 1.978 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.163 -26.288 1.323 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.427 -26.299 0.932 1.00 31.33 H new ATOM 557 N ARG A 39 5.622 -27.911 -3.563 1.00 14.25 N ATOM 558 CA ARG A 39 6.046 -28.693 -4.718 1.00 24.04 C ATOM 559 C ARG A 39 7.344 -28.128 -5.302 1.00 71.34 C ATOM 560 O ARG A 39 8.323 -28.852 -5.476 1.00 72.22 O ATOM 561 CB ARG A 39 4.943 -28.702 -5.788 1.00 54.52 C ATOM 562 CG ARG A 39 3.620 -29.303 -5.313 1.00 31.23 C ATOM 563 CD ARG A 39 3.716 -30.804 -5.026 1.00 22.04 C ATOM 564 NE ARG A 39 3.543 -31.615 -6.237 1.00 23.20 N ATOM 565 CZ ARG A 39 3.264 -32.924 -6.234 1.00 2.41 C ATOM 566 NH1 ARG A 39 3.193 -33.596 -5.092 1.00 33.22 N ATOM 567 NH2 ARG A 39 3.055 -33.559 -7.380 1.00 12.20 N ATOM 0 H ARG A 39 4.701 -27.483 -3.657 1.00 14.25 H new ATOM 0 HA ARG A 39 6.229 -29.717 -4.393 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.767 -27.679 -6.122 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.295 -29.263 -6.653 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.295 -28.786 -4.410 1.00 31.23 H new ATOM 0 HG3 ARG A 39 2.856 -29.131 -6.071 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.685 -31.025 -4.579 1.00 22.04 H new ATOM 0 HD3 ARG A 39 2.957 -31.081 -4.294 1.00 22.04 H new ATOM 0 HE ARG A 39 3.642 -31.151 -7.140 1.00 23.20 H new ATOM 0 HH11 ARG A 39 3.352 -33.115 -4.207 1.00 33.22 H new ATOM 0 HH12 ARG A 39 2.980 -34.593 -5.100 1.00 33.22 H new ATOM 0 HH21 ARG A 39 3.107 -33.050 -8.262 1.00 12.20 H new ATOM 0 HH22 ARG A 39 2.842 -34.557 -7.379 1.00 12.20 H new ATOM 581 N ARG A 40 7.348 -26.826 -5.608 1.00 53.35 N ATOM 582 CA ARG A 40 8.513 -26.193 -6.226 1.00 42.31 C ATOM 583 C ARG A 40 9.258 -25.254 -5.268 1.00 74.53 C ATOM 584 O ARG A 40 10.382 -24.852 -5.562 1.00 12.24 O ATOM 585 CB ARG A 40 8.067 -25.451 -7.487 1.00 64.35 C ATOM 586 CG ARG A 40 7.288 -26.350 -8.442 1.00 51.10 C ATOM 587 CD ARG A 40 6.853 -25.628 -9.707 1.00 53.50 C ATOM 588 NE ARG A 40 7.989 -25.292 -10.575 1.00 44.33 N ATOM 589 CZ ARG A 40 8.556 -26.141 -11.442 1.00 71.12 C ATOM 590 NH1 ARG A 40 8.066 -27.362 -11.603 1.00 73.41 N ATOM 591 NH2 ARG A 40 9.596 -25.755 -12.169 1.00 72.30 N ATOM 0 H ARG A 40 6.564 -26.196 -5.439 1.00 53.35 H new ATOM 0 HA ARG A 40 9.224 -26.977 -6.488 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.447 -24.600 -7.205 1.00 64.35 H new ATOM 0 HB3 ARG A 40 8.942 -25.052 -8.000 1.00 64.35 H new ATOM 0 HG2 ARG A 40 7.905 -27.207 -8.712 1.00 51.10 H new ATOM 0 HG3 ARG A 40 6.408 -26.740 -7.931 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.151 -26.254 -10.257 1.00 53.50 H new ATOM 0 HD3 ARG A 40 6.322 -24.715 -9.437 1.00 53.50 H new ATOM 0 HE ARG A 40 8.372 -24.349 -10.513 1.00 44.33 H new ATOM 0 HH11 ARG A 40 7.252 -27.660 -11.065 1.00 73.41 H new ATOM 0 HH12 ARG A 40 8.503 -28.004 -12.265 1.00 73.41 H new ATOM 0 HH21 ARG A 40 9.966 -24.810 -12.069 1.00 72.30 H new ATOM 0 HH22 ARG A 40 10.026 -26.403 -12.829 1.00 72.30 H new ATOM 605 N LEU A 41 8.647 -24.905 -4.133 1.00 34.24 N ATOM 606 CA LEU A 41 9.311 -24.048 -3.136 1.00 61.12 C ATOM 607 C LEU A 41 10.169 -24.870 -2.180 1.00 73.41 C ATOM 608 O LEU A 41 9.861 -26.030 -1.887 1.00 54.35 O ATOM 609 CB LEU A 41 8.296 -23.228 -2.314 1.00 3.20 C ATOM 610 CG LEU A 41 7.843 -21.897 -2.938 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.013 -22.129 -4.190 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.072 -21.057 -1.918 1.00 65.23 C ATOM 0 H LEU A 41 7.703 -25.197 -3.879 1.00 34.24 H new ATOM 0 HA LEU A 41 9.946 -23.363 -3.698 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.414 -23.845 -2.143 1.00 3.20 H new ATOM 0 HB3 LEU A 41 8.733 -23.019 -1.338 1.00 3.20 H new ATOM 0 HG LEU A 41 8.735 -21.344 -3.232 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.708 -21.169 -4.607 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.607 -22.672 -4.925 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.128 -22.712 -3.937 1.00 35.11 H new ATOM 0 HD21 LEU A 41 6.761 -20.120 -2.379 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.192 -21.607 -1.584 1.00 65.23 H new ATOM 0 HD23 LEU A 41 7.713 -20.845 -1.062 1.00 65.23 H new ATOM 624 N THR A 42 11.239 -24.256 -1.688 1.00 74.31 N ATOM 625 CA THR A 42 12.077 -24.865 -0.666 1.00 41.11 C ATOM 626 C THR A 42 11.502 -24.582 0.721 1.00 41.00 C ATOM 627 O THR A 42 10.678 -23.672 0.886 1.00 32.31 O ATOM 628 CB THR A 42 13.522 -24.324 -0.735 1.00 51.30 C ATOM 629 OG1 THR A 42 13.528 -22.917 -0.454 1.00 51.23 O ATOM 630 CG2 THR A 42 14.135 -24.566 -2.108 1.00 74.30 C ATOM 0 H THR A 42 11.547 -23.330 -1.984 1.00 74.31 H new ATOM 0 HA THR A 42 12.096 -25.940 -0.847 1.00 41.11 H new ATOM 0 HB THR A 42 14.117 -24.854 0.009 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.447 -22.579 -0.497 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.152 -24.175 -2.126 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.154 -25.636 -2.314 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.538 -24.061 -2.867 1.00 74.30 H new ATOM 638 N ASN A 43 11.931 -25.357 1.715 1.00 61.44 N ATOM 639 CA ASN A 43 11.508 -25.140 3.097 1.00 23.11 C ATOM 640 C ASN A 43 11.924 -23.741 3.559 1.00 72.30 C ATOM 641 O ASN A 43 11.175 -23.042 4.252 1.00 71.12 O ATOM 642 CB ASN A 43 12.107 -26.207 4.020 1.00 34.35 C ATOM 643 CG ASN A 43 11.579 -26.113 5.445 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.164 -25.438 6.290 1.00 54.24 O ATOM 645 ND2 ASN A 43 10.474 -26.793 5.720 1.00 61.42 N ATOM 0 H ASN A 43 12.571 -26.141 1.589 1.00 61.44 H new ATOM 0 HA ASN A 43 10.422 -25.219 3.144 1.00 23.11 H new ATOM 0 HB2 ASN A 43 11.884 -27.196 3.619 1.00 34.35 H new ATOM 0 HB3 ASN A 43 13.192 -26.105 4.031 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.080 -26.767 6.661 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.018 -27.342 4.991 1.00 61.42 H new ATOM 652 N ASP A 44 13.116 -23.335 3.140 1.00 0.21 N ATOM 653 CA ASP A 44 13.639 -22.006 3.453 1.00 22.12 C ATOM 654 C ASP A 44 12.686 -20.921 2.960 1.00 42.40 C ATOM 655 O ASP A 44 12.342 -19.996 3.697 1.00 60.34 O ATOM 656 CB ASP A 44 15.014 -21.804 2.804 1.00 1.30 C ATOM 657 CG ASP A 44 16.024 -22.849 3.240 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.028 -23.953 2.656 1.00 41.24 O ATOM 659 OD2 ASP A 44 16.810 -22.577 4.174 1.00 4.40 O ATOM 0 H ASP A 44 13.744 -23.910 2.579 1.00 0.21 H new ATOM 0 HA ASP A 44 13.736 -21.931 4.536 1.00 22.12 H new ATOM 0 HB2 ASP A 44 14.908 -21.836 1.720 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.390 -20.813 3.058 1.00 1.30 H new ATOM 664 N GLU A 45 12.247 -21.060 1.711 1.00 2.43 N ATOM 665 CA GLU A 45 11.375 -20.071 1.082 1.00 12.41 C ATOM 666 C GLU A 45 9.994 -20.029 1.743 1.00 74.32 C ATOM 667 O GLU A 45 9.511 -18.950 2.118 1.00 52.21 O ATOM 668 CB GLU A 45 11.269 -20.355 -0.423 1.00 10.44 C ATOM 669 CG GLU A 45 12.563 -20.052 -1.176 1.00 2.34 C ATOM 670 CD GLU A 45 12.504 -20.447 -2.643 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.532 -21.667 -2.925 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.440 -19.549 -3.505 1.00 64.14 O ATOM 0 H GLU A 45 12.482 -21.852 1.112 1.00 2.43 H new ATOM 0 HA GLU A 45 11.817 -19.084 1.222 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.004 -21.402 -0.573 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.460 -19.758 -0.845 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.779 -18.986 -1.101 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.388 -20.579 -0.696 1.00 2.34 H new ATOM 679 N ILE A 46 9.364 -21.193 1.904 1.00 40.25 N ATOM 680 CA ILE A 46 8.047 -21.249 2.545 1.00 2.42 C ATOM 681 C ILE A 46 8.115 -20.610 3.938 1.00 23.22 C ATOM 682 O ILE A 46 7.198 -19.890 4.347 1.00 2.24 O ATOM 683 CB ILE A 46 7.482 -22.704 2.618 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.109 -22.758 3.330 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.466 -23.646 3.297 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.184 -22.898 4.844 1.00 5.20 C ATOM 0 H ILE A 46 9.735 -22.095 1.606 1.00 40.25 H new ATOM 0 HA ILE A 46 7.353 -20.680 1.927 1.00 2.42 H new ATOM 0 HB ILE A 46 7.337 -23.036 1.590 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.554 -21.851 3.089 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.539 -23.596 2.929 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.043 -24.650 3.332 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.399 -23.665 2.734 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.661 -23.299 4.312 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.176 -22.928 5.257 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.708 -23.819 5.099 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.722 -22.047 5.262 1.00 5.20 H new ATOM 698 N LYS A 47 9.213 -20.859 4.658 1.00 61.14 N ATOM 699 CA LYS A 47 9.440 -20.211 5.947 1.00 33.02 C ATOM 700 C LYS A 47 9.595 -18.707 5.783 1.00 44.41 C ATOM 701 O LYS A 47 9.016 -17.937 6.546 1.00 14.11 O ATOM 702 CB LYS A 47 10.690 -20.759 6.639 1.00 63.24 C ATOM 703 CG LYS A 47 10.530 -22.149 7.241 1.00 43.11 C ATOM 704 CD LYS A 47 11.718 -22.485 8.134 1.00 45.04 C ATOM 705 CE LYS A 47 13.029 -22.514 7.351 1.00 73.15 C ATOM 706 NZ LYS A 47 14.188 -22.852 8.220 1.00 75.33 N ATOM 0 H LYS A 47 9.952 -21.500 4.370 1.00 61.14 H new ATOM 0 HA LYS A 47 8.567 -20.425 6.563 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.507 -20.783 5.917 1.00 63.24 H new ATOM 0 HB3 LYS A 47 10.983 -20.068 7.429 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.608 -22.197 7.820 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.445 -22.889 6.445 1.00 43.11 H new ATOM 0 HD2 LYS A 47 11.790 -21.749 8.935 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.555 -23.454 8.605 1.00 45.04 H new ATOM 0 HE2 LYS A 47 12.954 -23.244 6.545 1.00 73.15 H new ATOM 0 HE3 LYS A 47 13.195 -21.542 6.886 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 15.058 -22.861 7.650 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 14.275 -22.141 8.974 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 14.042 -23.790 8.644 1.00 75.33 H new ATOM 720 N ALA A 48 10.395 -18.301 4.799 1.00 32.32 N ATOM 721 CA ALA A 48 10.662 -16.887 4.557 1.00 3.50 C ATOM 722 C ALA A 48 9.357 -16.114 4.400 1.00 23.32 C ATOM 723 O ALA A 48 9.237 -14.976 4.856 1.00 52.32 O ATOM 724 CB ALA A 48 11.541 -16.710 3.325 1.00 43.35 C ATOM 0 H ALA A 48 10.870 -18.934 4.156 1.00 32.32 H new ATOM 0 HA ALA A 48 11.196 -16.487 5.419 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.729 -15.649 3.161 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.489 -17.227 3.477 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.035 -17.127 2.454 1.00 43.35 H new ATOM 730 N ILE A 49 8.382 -16.751 3.750 1.00 73.51 N ATOM 731 CA ILE A 49 7.037 -16.186 3.642 1.00 11.34 C ATOM 732 C ILE A 49 6.457 -15.931 5.030 1.00 32.52 C ATOM 733 O ILE A 49 5.956 -14.842 5.318 1.00 25.45 O ATOM 734 CB ILE A 49 6.089 -17.123 2.848 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.664 -17.380 1.449 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.683 -16.526 2.749 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.920 -16.109 0.662 1.00 74.30 C ATOM 0 H ILE A 49 8.498 -17.655 3.292 1.00 73.51 H new ATOM 0 HA ILE A 49 7.119 -15.243 3.101 1.00 11.34 H new ATOM 0 HB ILE A 49 6.012 -18.071 3.381 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.598 -17.934 1.544 1.00 71.25 H new ATOM 0 HG13 ILE A 49 5.973 -18.012 0.891 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.039 -17.203 2.188 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.276 -16.385 3.750 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.731 -15.564 2.238 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.326 -16.363 -0.317 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.984 -15.564 0.537 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.634 -15.485 1.200 1.00 74.30 H new ATOM 749 N ALA A 50 6.552 -16.939 5.892 1.00 21.02 N ATOM 750 CA ALA A 50 6.048 -16.838 7.256 1.00 1.35 C ATOM 751 C ALA A 50 6.753 -15.716 8.008 1.00 3.30 C ATOM 752 O ALA A 50 6.112 -14.917 8.683 1.00 40.12 O ATOM 753 CB ALA A 50 6.233 -18.161 7.996 1.00 61.30 C ATOM 0 H ALA A 50 6.976 -17.839 5.667 1.00 21.02 H new ATOM 0 HA ALA A 50 4.983 -16.610 7.207 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.851 -18.066 9.012 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.688 -18.948 7.476 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.293 -18.414 8.029 1.00 61.30 H new ATOM 759 N GLU A 51 8.075 -15.657 7.859 1.00 14.35 N ATOM 760 CA GLU A 51 8.904 -14.710 8.600 1.00 45.45 C ATOM 761 C GLU A 51 8.467 -13.270 8.341 1.00 61.23 C ATOM 762 O GLU A 51 8.407 -12.453 9.261 1.00 40.34 O ATOM 763 CB GLU A 51 10.384 -14.880 8.234 1.00 4.25 C ATOM 764 CG GLU A 51 10.928 -16.287 8.484 1.00 61.30 C ATOM 765 CD GLU A 51 12.446 -16.317 8.558 1.00 30.31 C ATOM 766 OE1 GLU A 51 13.101 -16.432 7.503 1.00 71.15 O ATOM 767 OE2 GLU A 51 12.994 -16.215 9.677 1.00 71.41 O ATOM 0 H GLU A 51 8.599 -16.261 7.225 1.00 14.35 H new ATOM 0 HA GLU A 51 8.775 -14.923 9.661 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.518 -14.631 7.181 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.974 -14.166 8.808 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.514 -16.673 9.415 1.00 61.30 H new ATOM 0 HG3 GLU A 51 10.593 -16.950 7.687 1.00 61.30 H new ATOM 774 N ASP A 52 8.167 -12.956 7.092 1.00 54.12 N ATOM 775 CA ASP A 52 7.739 -11.600 6.738 1.00 62.53 C ATOM 776 C ASP A 52 6.340 -11.324 7.287 1.00 5.34 C ATOM 777 O ASP A 52 6.092 -10.294 7.918 1.00 13.14 O ATOM 778 CB ASP A 52 7.741 -11.390 5.218 1.00 51.25 C ATOM 779 CG ASP A 52 7.752 -9.908 4.854 1.00 13.15 C ATOM 780 OD1 ASP A 52 6.672 -9.277 4.823 1.00 61.55 O ATOM 781 OD2 ASP A 52 8.854 -9.365 4.623 1.00 55.20 O ATOM 0 H ASP A 52 8.209 -13.609 6.309 1.00 54.12 H new ATOM 0 HA ASP A 52 8.451 -10.905 7.184 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.614 -11.878 4.784 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.861 -11.865 4.784 1.00 51.25 H new ATOM 786 N LEU A 53 5.441 -12.276 7.057 1.00 34.00 N ATOM 787 CA LEU A 53 4.031 -12.127 7.416 1.00 31.15 C ATOM 788 C LEU A 53 3.825 -12.001 8.927 1.00 63.44 C ATOM 789 O LEU A 53 3.004 -11.204 9.381 1.00 24.44 O ATOM 790 CB LEU A 53 3.234 -13.320 6.872 1.00 23.10 C ATOM 791 CG LEU A 53 3.200 -13.435 5.333 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.436 -14.679 4.884 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.589 -12.177 4.711 1.00 2.44 C ATOM 0 H LEU A 53 5.666 -13.169 6.619 1.00 34.00 H new ATOM 0 HA LEU A 53 3.671 -11.202 6.966 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.658 -14.237 7.281 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.210 -13.251 7.239 1.00 23.10 H new ATOM 0 HG LEU A 53 4.229 -13.531 4.985 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.431 -14.730 3.795 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.921 -15.569 5.286 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.410 -14.628 5.249 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.574 -12.278 3.626 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.571 -12.048 5.077 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.187 -11.308 4.986 1.00 2.44 H new ATOM 805 N GLU A 54 4.575 -12.778 9.699 1.00 42.35 N ATOM 806 CA GLU A 54 4.397 -12.809 11.150 1.00 71.35 C ATOM 807 C GLU A 54 4.776 -11.473 11.790 1.00 51.43 C ATOM 808 O GLU A 54 4.274 -11.129 12.857 1.00 2.04 O ATOM 809 CB GLU A 54 5.189 -13.975 11.762 1.00 71.34 C ATOM 810 CG GLU A 54 6.687 -13.955 11.469 1.00 45.42 C ATOM 811 CD GLU A 54 7.502 -13.191 12.505 1.00 2.40 C ATOM 812 OE1 GLU A 54 7.266 -13.380 13.715 1.00 1.20 O ATOM 813 OE2 GLU A 54 8.396 -12.413 12.119 1.00 25.13 O ATOM 0 H GLU A 54 5.310 -13.393 9.349 1.00 42.35 H new ATOM 0 HA GLU A 54 3.340 -12.972 11.360 1.00 71.35 H new ATOM 0 HB2 GLU A 54 5.044 -13.967 12.842 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.773 -14.912 11.392 1.00 71.34 H new ATOM 0 HG2 GLU A 54 7.052 -14.981 11.417 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.851 -13.508 10.489 1.00 45.42 H new ATOM 820 N LYS A 55 5.655 -10.717 11.129 1.00 30.13 N ATOM 821 CA LYS A 55 5.995 -9.367 11.581 1.00 60.30 C ATOM 822 C LYS A 55 4.789 -8.442 11.423 1.00 11.44 C ATOM 823 O LYS A 55 4.596 -7.506 12.204 1.00 63.12 O ATOM 824 CB LYS A 55 7.205 -8.808 10.806 1.00 20.00 C ATOM 825 CG LYS A 55 8.553 -9.313 11.322 1.00 21.43 C ATOM 826 CD LYS A 55 9.735 -8.670 10.590 1.00 14.14 C ATOM 827 CE LYS A 55 9.916 -9.230 9.183 1.00 75.02 C ATOM 828 NZ LYS A 55 10.323 -10.660 9.203 1.00 63.03 N ATOM 0 H LYS A 55 6.142 -11.015 10.284 1.00 30.13 H new ATOM 0 HA LYS A 55 6.268 -9.420 12.635 1.00 60.30 H new ATOM 0 HB2 LYS A 55 7.106 -9.075 9.754 1.00 20.00 H new ATOM 0 HB3 LYS A 55 7.189 -7.720 10.862 1.00 20.00 H new ATOM 0 HG2 LYS A 55 8.632 -9.104 12.389 1.00 21.43 H new ATOM 0 HG3 LYS A 55 8.602 -10.396 11.205 1.00 21.43 H new ATOM 0 HD2 LYS A 55 9.582 -7.592 10.533 1.00 14.14 H new ATOM 0 HD3 LYS A 55 10.647 -8.833 11.164 1.00 14.14 H new ATOM 0 HE2 LYS A 55 8.984 -9.126 8.628 1.00 75.02 H new ATOM 0 HE3 LYS A 55 10.669 -8.646 8.654 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 10.695 -10.928 8.269 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 11.060 -10.801 9.923 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 9.499 -11.252 9.431 1.00 63.03 H new ATOM 842 N ARG A 56 3.976 -8.724 10.413 1.00 63.50 N ATOM 843 CA ARG A 56 2.758 -7.959 10.152 1.00 74.04 C ATOM 844 C ARG A 56 1.711 -8.255 11.221 1.00 1.10 C ATOM 845 O ARG A 56 1.141 -7.341 11.823 1.00 45.04 O ATOM 846 CB ARG A 56 2.204 -8.318 8.768 1.00 13.44 C ATOM 847 CG ARG A 56 3.129 -7.951 7.613 1.00 60.23 C ATOM 848 CD ARG A 56 2.707 -8.623 6.309 1.00 20.44 C ATOM 849 NE ARG A 56 1.278 -8.464 6.034 1.00 20.11 N ATOM 850 CZ ARG A 56 0.710 -8.713 4.855 1.00 51.15 C ATOM 851 NH1 ARG A 56 1.460 -9.036 3.806 1.00 31.34 N ATOM 852 NH2 ARG A 56 -0.604 -8.621 4.725 1.00 24.14 N ATOM 0 H ARG A 56 4.139 -9.485 9.753 1.00 63.50 H new ATOM 0 HA ARG A 56 2.998 -6.896 10.178 1.00 74.04 H new ATOM 0 HB2 ARG A 56 2.006 -9.389 8.734 1.00 13.44 H new ATOM 0 HB3 ARG A 56 1.248 -7.813 8.629 1.00 13.44 H new ATOM 0 HG2 ARG A 56 3.131 -6.869 7.480 1.00 60.23 H new ATOM 0 HG3 ARG A 56 4.150 -8.244 7.858 1.00 60.23 H new ATOM 0 HD2 ARG A 56 3.282 -8.202 5.484 1.00 20.44 H new ATOM 0 HD3 ARG A 56 2.949 -9.685 6.356 1.00 20.44 H new ATOM 0 HE ARG A 56 0.679 -8.142 6.794 1.00 20.11 H new ATOM 0 HH11 ARG A 56 2.474 -9.094 3.902 1.00 31.34 H new ATOM 0 HH12 ARG A 56 1.022 -9.226 2.905 1.00 31.34 H new ATOM 0 HH21 ARG A 56 -1.179 -8.360 5.526 1.00 24.14 H new ATOM 0 HH22 ARG A 56 -1.042 -8.811 3.824 1.00 24.14 H new ATOM 866 N ALA A 57 1.467 -9.540 11.450 1.00 75.53 N ATOM 867 CA ALA A 57 0.482 -9.978 12.428 1.00 40.24 C ATOM 868 C ALA A 57 0.905 -11.306 13.046 1.00 71.25 C ATOM 869 O ALA A 57 0.959 -12.331 12.364 1.00 53.35 O ATOM 870 CB ALA A 57 -0.897 -10.099 11.783 1.00 34.42 C ATOM 0 H ALA A 57 1.943 -10.302 10.966 1.00 75.53 H new ATOM 0 HA ALA A 57 0.423 -9.231 13.220 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -1.620 -10.428 12.529 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -1.200 -9.130 11.387 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -0.857 -10.826 10.972 1.00 34.42 H new ATOM 876 N HIS A 58 1.221 -11.282 14.337 1.00 23.12 N ATOM 877 CA HIS A 58 1.646 -12.481 15.047 1.00 21.31 C ATOM 878 C HIS A 58 0.440 -13.325 15.454 1.00 2.53 C ATOM 879 O HIS A 58 -0.031 -13.257 16.593 1.00 62.41 O ATOM 880 CB HIS A 58 2.496 -12.116 16.278 1.00 52.13 C ATOM 881 CG HIS A 58 3.899 -11.708 15.939 1.00 71.23 C ATOM 882 ND1 HIS A 58 4.298 -10.395 15.797 1.00 12.41 N ATOM 883 CD2 HIS A 58 5.004 -12.458 15.720 1.00 64.10 C ATOM 884 CE1 HIS A 58 5.587 -10.360 15.508 1.00 73.52 C ATOM 885 NE2 HIS A 58 6.039 -11.599 15.455 1.00 44.32 N ATOM 0 H HIS A 58 1.190 -10.441 14.914 1.00 23.12 H new ATOM 0 HA HIS A 58 2.264 -13.073 14.372 1.00 21.31 H new ATOM 0 HB2 HIS A 58 2.010 -11.302 16.817 1.00 52.13 H new ATOM 0 HB3 HIS A 58 2.528 -12.971 16.953 1.00 52.13 H new ATOM 0 HD2 HIS A 58 5.060 -13.536 15.749 1.00 64.10 H new ATOM 0 HE1 HIS A 58 6.172 -9.468 15.343 1.00 73.52 H new ATOM 0 HE2 HIS A 58 7.000 -11.872 15.251 1.00 44.32 H new ATOM 894 N PHE A 59 -0.077 -14.089 14.495 1.00 45.53 N ATOM 895 CA PHE A 59 -1.178 -15.017 14.737 1.00 61.11 C ATOM 896 C PHE A 59 -0.896 -16.346 14.042 1.00 4.21 C ATOM 897 O PHE A 59 -0.518 -16.376 12.870 1.00 51.30 O ATOM 898 CB PHE A 59 -2.510 -14.434 14.233 1.00 63.21 C ATOM 899 CG PHE A 59 -2.979 -13.219 14.995 1.00 13.13 C ATOM 900 CD1 PHE A 59 -3.699 -13.360 16.174 1.00 55.13 C ATOM 901 CD2 PHE A 59 -2.705 -11.938 14.534 1.00 72.53 C ATOM 902 CE1 PHE A 59 -4.135 -12.250 16.874 1.00 72.34 C ATOM 903 CE2 PHE A 59 -3.138 -10.827 15.230 1.00 53.22 C ATOM 904 CZ PHE A 59 -3.854 -10.983 16.401 1.00 32.55 C ATOM 0 H PHE A 59 0.255 -14.082 13.530 1.00 45.53 H new ATOM 0 HA PHE A 59 -1.261 -15.180 15.812 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -2.404 -14.171 13.181 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -3.278 -15.206 14.293 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -3.921 -14.348 16.549 1.00 55.13 H new ATOM 0 HD2 PHE A 59 -2.146 -11.809 13.619 1.00 72.53 H new ATOM 0 HE1 PHE A 59 -4.695 -12.374 17.789 1.00 72.34 H new ATOM 0 HE2 PHE A 59 -2.917 -9.837 14.859 1.00 53.22 H new ATOM 0 HZ PHE A 59 -4.194 -10.115 16.946 1.00 32.55 H new ATOM 914 N ASP A 60 -1.080 -17.440 14.773 1.00 3.23 N ATOM 915 CA ASP A 60 -0.805 -18.782 14.257 1.00 22.13 C ATOM 916 C ASP A 60 -2.069 -19.404 13.664 1.00 20.41 C ATOM 917 O ASP A 60 -2.045 -20.536 13.182 1.00 31.31 O ATOM 918 CB ASP A 60 -0.268 -19.680 15.382 1.00 1.13 C ATOM 919 CG ASP A 60 -1.311 -19.960 16.455 1.00 72.32 C ATOM 920 OD1 ASP A 60 -1.642 -19.033 17.225 1.00 21.21 O ATOM 921 OD2 ASP A 60 -1.809 -21.106 16.531 1.00 64.02 O ATOM 0 H ASP A 60 -1.422 -17.426 15.734 1.00 3.23 H new ATOM 0 HA ASP A 60 -0.055 -18.698 13.471 1.00 22.13 H new ATOM 0 HB2 ASP A 60 0.073 -20.624 14.957 1.00 1.13 H new ATOM 0 HB3 ASP A 60 0.600 -19.204 15.839 1.00 1.13 H new ATOM 926 N HIS A 61 -3.168 -18.650 13.697 1.00 13.11 N ATOM 927 CA HIS A 61 -4.466 -19.126 13.209 1.00 64.41 C ATOM 928 C HIS A 61 -4.361 -19.770 11.819 1.00 11.03 C ATOM 929 O HIS A 61 -5.006 -20.781 11.546 1.00 35.12 O ATOM 930 CB HIS A 61 -5.471 -17.966 13.164 1.00 74.10 C ATOM 931 CG HIS A 61 -6.848 -18.378 12.735 1.00 43.02 C ATOM 932 ND1 HIS A 61 -7.459 -17.907 11.593 1.00 14.13 N ATOM 933 CD2 HIS A 61 -7.741 -19.213 13.317 1.00 43.44 C ATOM 934 CE1 HIS A 61 -8.665 -18.435 11.492 1.00 75.35 C ATOM 935 NE2 HIS A 61 -8.860 -19.228 12.526 1.00 64.30 N ATOM 0 H HIS A 61 -3.186 -17.697 14.060 1.00 13.11 H new ATOM 0 HA HIS A 61 -4.812 -19.890 13.905 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -5.529 -17.509 14.152 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -5.100 -17.202 12.481 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -7.598 -19.765 14.234 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -9.372 -18.249 10.697 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -9.707 -19.766 12.708 1.00 64.30 H new ATOM 944 N ILE A 62 -3.548 -19.175 10.950 1.00 73.14 N ATOM 945 CA ILE A 62 -3.380 -19.659 9.577 1.00 65.44 C ATOM 946 C ILE A 62 -1.955 -20.150 9.327 1.00 41.11 C ATOM 947 O ILE A 62 -1.550 -20.323 8.179 1.00 32.13 O ATOM 948 CB ILE A 62 -3.744 -18.570 8.532 1.00 10.35 C ATOM 949 CG1 ILE A 62 -2.862 -17.321 8.710 1.00 42.10 C ATOM 950 CG2 ILE A 62 -5.224 -18.206 8.633 1.00 43.04 C ATOM 951 CD1 ILE A 62 -3.140 -16.227 7.694 1.00 32.42 C ATOM 0 H ILE A 62 -2.990 -18.350 11.172 1.00 73.14 H new ATOM 0 HA ILE A 62 -4.068 -20.496 9.459 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.556 -18.975 7.538 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -3.013 -16.920 9.712 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -1.814 -17.614 8.638 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -5.462 -17.441 7.893 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -5.830 -19.092 8.446 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.437 -17.824 9.631 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -2.481 -15.379 7.882 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -2.961 -16.610 6.689 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -4.178 -15.906 7.780 1.00 32.42 H new ATOM 963 N ASP A 63 -1.213 -20.367 10.421 1.00 1.43 N ATOM 964 CA ASP A 63 0.217 -20.733 10.370 1.00 15.25 C ATOM 965 C ASP A 63 0.558 -21.626 9.177 1.00 43.10 C ATOM 966 O ASP A 63 0.125 -22.771 9.093 1.00 22.32 O ATOM 967 CB ASP A 63 0.641 -21.428 11.670 1.00 62.22 C ATOM 968 CG ASP A 63 2.099 -21.867 11.642 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.987 -20.990 11.626 1.00 71.15 O ATOM 970 OD2 ASP A 63 2.366 -23.085 11.626 1.00 31.43 O ATOM 0 H ASP A 63 -1.583 -20.295 11.369 1.00 1.43 H new ATOM 0 HA ASP A 63 0.770 -19.801 10.250 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.484 -20.751 12.509 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.005 -22.297 11.839 1.00 62.22 H new ATOM 975 N ILE A 64 1.351 -21.073 8.273 1.00 35.01 N ATOM 976 CA ILE A 64 1.720 -21.723 7.020 1.00 74.34 C ATOM 977 C ILE A 64 2.551 -22.994 7.255 1.00 73.52 C ATOM 978 O ILE A 64 2.471 -23.954 6.487 1.00 13.12 O ATOM 979 CB ILE A 64 2.499 -20.716 6.124 1.00 55.31 C ATOM 980 CG1 ILE A 64 2.934 -21.347 4.798 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.714 -20.171 6.868 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.189 -20.339 3.693 1.00 23.31 C ATOM 0 H ILE A 64 1.763 -20.147 8.388 1.00 35.01 H new ATOM 0 HA ILE A 64 0.805 -22.031 6.514 1.00 74.34 H new ATOM 0 HB ILE A 64 1.820 -19.895 5.893 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.842 -21.928 4.963 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.164 -22.045 4.469 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.248 -19.469 6.228 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.387 -19.660 7.774 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.377 -20.994 7.135 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.493 -20.862 2.786 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.277 -19.775 3.498 1.00 23.31 H new ATOM 0 HD13 ILE A 64 3.980 -19.655 4.000 1.00 23.31 H new ATOM 994 N GLY A 65 3.319 -22.999 8.332 1.00 24.22 N ATOM 995 CA GLY A 65 4.193 -24.126 8.638 1.00 1.30 C ATOM 996 C GLY A 65 3.446 -25.400 9.013 1.00 31.50 C ATOM 997 O GLY A 65 3.791 -26.489 8.542 1.00 64.12 O ATOM 0 H GLY A 65 3.357 -22.238 9.010 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.826 -24.328 7.774 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.854 -23.849 9.459 1.00 1.30 H new ATOM 1001 N VAL A 66 2.421 -25.273 9.857 1.00 52.41 N ATOM 1002 CA VAL A 66 1.704 -26.436 10.381 1.00 10.01 C ATOM 1003 C VAL A 66 1.078 -27.268 9.258 1.00 22.33 C ATOM 1004 O VAL A 66 1.035 -28.498 9.340 1.00 54.21 O ATOM 1005 CB VAL A 66 0.609 -26.041 11.412 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.501 -25.217 10.763 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.040 -27.284 12.098 1.00 25.14 C ATOM 0 H VAL A 66 2.069 -24.376 10.192 1.00 52.41 H new ATOM 0 HA VAL A 66 2.451 -27.042 10.894 1.00 10.01 H new ATOM 0 HB VAL A 66 1.078 -25.415 12.171 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.249 -24.959 11.513 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.078 -24.304 10.343 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.969 -25.799 9.969 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.724 -26.986 12.815 1.00 25.14 H new ATOM 0 HG22 VAL A 66 -0.402 -27.942 11.350 1.00 25.14 H new ATOM 0 HG23 VAL A 66 0.840 -27.811 12.618 1.00 25.14 H new ATOM 1017 N LEU A 67 0.603 -26.601 8.205 1.00 55.10 N ATOM 1018 CA LEU A 67 -0.040 -27.300 7.093 1.00 53.21 C ATOM 1019 C LEU A 67 0.901 -28.329 6.461 1.00 52.34 C ATOM 1020 O LEU A 67 0.453 -29.371 5.986 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.554 -26.324 6.023 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.827 -25.531 6.379 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.831 -26.389 7.145 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.488 -24.258 7.145 1.00 50.24 C ATOM 0 H LEU A 67 0.651 -25.588 8.099 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.899 -27.826 7.509 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.241 -25.613 5.798 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.746 -26.887 5.110 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.300 -25.239 5.442 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.715 -25.795 7.378 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.120 -27.244 6.534 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.377 -26.741 8.071 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.406 -23.720 7.382 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.970 -24.516 8.069 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.845 -23.626 6.533 1.00 50.24 H new ATOM 1036 N ILE A 68 2.201 -28.048 6.482 1.00 31.54 N ATOM 1037 CA ILE A 68 3.192 -28.989 5.960 1.00 2.51 C ATOM 1038 C ILE A 68 3.187 -30.276 6.787 1.00 51.44 C ATOM 1039 O ILE A 68 3.335 -31.379 6.253 1.00 60.32 O ATOM 1040 CB ILE A 68 4.617 -28.376 5.962 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.655 -27.100 5.107 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.649 -29.387 5.457 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.011 -26.419 5.077 1.00 31.33 C ATOM 0 H ILE A 68 2.593 -27.182 6.852 1.00 31.54 H new ATOM 0 HA ILE A 68 2.919 -29.215 4.929 1.00 2.51 H new ATOM 0 HB ILE A 68 4.871 -28.115 6.989 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.362 -27.349 4.087 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.915 -26.397 5.489 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.640 -28.932 5.468 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.645 -30.265 6.103 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.398 -29.685 4.439 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.956 -25.527 4.453 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.299 -26.137 6.090 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.753 -27.104 4.666 1.00 31.33 H new ATOM 1055 N THR A 69 2.984 -30.124 8.094 1.00 24.31 N ATOM 1056 CA THR A 69 2.905 -31.265 9.001 1.00 33.41 C ATOM 1057 C THR A 69 1.623 -32.053 8.731 1.00 42.44 C ATOM 1058 O THR A 69 1.597 -33.282 8.808 1.00 21.42 O ATOM 1059 CB THR A 69 2.946 -30.797 10.478 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.194 -30.127 10.740 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.772 -31.966 11.445 1.00 64.12 C ATOM 0 H THR A 69 2.871 -29.218 8.549 1.00 24.31 H new ATOM 0 HA THR A 69 3.766 -31.910 8.825 1.00 33.41 H new ATOM 0 HB THR A 69 2.116 -30.108 10.636 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.216 -29.831 11.674 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.806 -31.598 12.470 1.00 64.12 H new ATOM 0 HG22 THR A 69 1.811 -32.448 11.264 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.574 -32.688 11.291 1.00 64.12 H new ATOM 1069 N GLN A 70 0.569 -31.321 8.384 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.705 -31.917 8.005 1.00 71.34 C ATOM 1071 C GLN A 70 -0.530 -32.789 6.767 1.00 10.03 C ATOM 1072 O GLN A 70 -0.945 -33.949 6.746 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.722 -30.807 7.719 1.00 31.34 C ATOM 1074 CG GLN A 70 -2.030 -29.921 8.924 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.297 -30.338 9.646 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.259 -31.145 10.576 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -4.427 -29.802 9.211 1.00 21.40 N ATOM 0 H GLN A 70 0.575 -30.301 8.358 1.00 34.14 H new ATOM 0 HA GLN A 70 -1.066 -32.539 8.824 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.345 -30.183 6.909 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.649 -31.260 7.367 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.192 -29.956 9.620 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -2.128 -28.887 8.594 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -4.412 -29.137 8.437 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -5.313 -30.054 9.650 1.00 21.40 H new ATOM 1086 N MET A 71 0.113 -32.215 5.753 1.00 14.01 N ATOM 1087 CA MET A 71 0.339 -32.884 4.472 1.00 13.13 C ATOM 1088 C MET A 71 1.149 -34.165 4.642 1.00 21.22 C ATOM 1089 O MET A 71 0.789 -35.211 4.097 1.00 40.43 O ATOM 1090 CB MET A 71 1.084 -31.937 3.528 1.00 61.13 C ATOM 1091 CG MET A 71 0.268 -30.745 3.044 1.00 14.31 C ATOM 1092 SD MET A 71 1.291 -29.284 2.771 1.00 65.25 S ATOM 1093 CE MET A 71 2.731 -30.010 1.986 1.00 3.01 C ATOM 0 H MET A 71 0.494 -31.270 5.796 1.00 14.01 H new ATOM 0 HA MET A 71 -0.632 -33.150 4.055 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.975 -31.567 4.036 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.423 -32.504 2.661 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.241 -31.008 2.117 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.504 -30.514 3.778 1.00 14.31 H new ATOM 0 HE1 MET A 71 3.363 -29.219 1.583 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.294 -30.586 2.720 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.412 -30.667 1.177 1.00 3.01 H new ATOM 1103 N THR A 72 2.239 -34.078 5.401 1.00 74.35 N ATOM 1104 CA THR A 72 3.147 -35.207 5.572 1.00 54.12 C ATOM 1105 C THR A 72 2.404 -36.412 6.157 1.00 21.40 C ATOM 1106 O THR A 72 2.726 -37.563 5.859 1.00 10.21 O ATOM 1107 CB THR A 72 4.360 -34.835 6.472 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.502 -35.624 6.106 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.060 -35.045 7.956 1.00 32.34 C ATOM 0 H THR A 72 2.514 -33.236 5.907 1.00 74.35 H new ATOM 0 HA THR A 72 3.530 -35.472 4.586 1.00 54.12 H new ATOM 0 HB THR A 72 4.566 -33.776 6.315 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.262 -35.383 6.676 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.935 -34.773 8.546 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.216 -34.420 8.249 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.815 -36.092 8.133 1.00 32.34 H new ATOM 1117 N ASP A 73 1.387 -36.125 6.964 1.00 14.31 N ATOM 1118 CA ASP A 73 0.598 -37.162 7.618 1.00 73.20 C ATOM 1119 C ASP A 73 -0.509 -37.648 6.692 1.00 63.12 C ATOM 1120 O ASP A 73 -0.660 -38.848 6.452 1.00 62.50 O ATOM 1121 CB ASP A 73 -0.013 -36.596 8.896 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.872 -37.608 9.646 1.00 24.13 C ATOM 1123 OD1 ASP A 73 -0.307 -38.497 10.307 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -2.118 -37.502 9.583 1.00 73.12 O ATOM 0 H ASP A 73 1.089 -35.174 7.182 1.00 14.31 H new ATOM 0 HA ASP A 73 1.246 -38.005 7.860 1.00 73.20 H new ATOM 0 HB2 ASP A 73 0.786 -36.250 9.552 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.621 -35.726 8.647 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.267 -36.696 6.161 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.343 -36.981 5.229 1.00 13.52 C ATOM 1131 C GLU A 74 -2.504 -35.822 4.248 1.00 52.34 C ATOM 1132 O GLU A 74 -2.750 -34.684 4.659 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.662 -37.227 5.977 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.849 -37.510 5.058 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.148 -37.709 5.820 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.787 -36.704 6.191 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.532 -38.871 6.071 1.00 64.11 O ATOM 0 H GLU A 74 -1.150 -35.704 6.367 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.090 -37.885 4.676 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.532 -38.069 6.656 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.889 -36.355 6.590 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.966 -36.683 4.358 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.640 -38.401 4.466 1.00 22.12 H new ATOM 1144 N MET A 75 -2.353 -36.102 2.958 1.00 3.01 N ATOM 1145 CA MET A 75 -2.568 -35.087 1.932 1.00 44.15 C ATOM 1146 C MET A 75 -4.066 -34.787 1.826 1.00 2.42 C ATOM 1147 O MET A 75 -4.894 -35.680 2.005 1.00 23.31 O ATOM 1148 CB MET A 75 -2.006 -35.549 0.579 1.00 64.55 C ATOM 1149 CG MET A 75 -2.817 -36.655 -0.079 1.00 34.12 C ATOM 1150 SD MET A 75 -2.001 -37.369 -1.523 1.00 53.33 S ATOM 1151 CE MET A 75 -1.886 -35.942 -2.600 1.00 73.05 C ATOM 0 H MET A 75 -2.084 -37.018 2.599 1.00 3.01 H new ATOM 0 HA MET A 75 -2.039 -34.176 2.213 1.00 44.15 H new ATOM 0 HB2 MET A 75 -1.961 -34.694 -0.096 1.00 64.55 H new ATOM 0 HB3 MET A 75 -0.983 -35.897 0.721 1.00 64.55 H new ATOM 0 HG2 MET A 75 -3.005 -37.442 0.651 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.787 -36.258 -0.377 1.00 34.12 H new ATOM 0 HE1 MET A 75 -1.603 -36.264 -3.602 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.851 -35.438 -2.640 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.133 -35.255 -2.214 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.428 -33.524 1.548 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.830 -33.088 1.527 1.00 54.22 C ATOM 1163 C PRO A 76 -6.613 -33.697 0.352 1.00 61.51 C ATOM 1164 O PRO A 76 -7.129 -34.812 0.454 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.709 -31.560 1.408 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.414 -31.355 0.695 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.501 -32.420 1.232 1.00 32.14 C ATOM 0 HA PRO A 76 -6.388 -33.408 2.407 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.544 -31.136 0.850 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.705 -31.082 2.388 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.538 -31.449 -0.384 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.013 -30.359 0.884 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.753 -32.719 0.497 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -2.961 -32.081 2.116 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.685 -32.968 -0.759 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.307 -33.458 -1.984 1.00 24.23 C ATOM 1177 C ARG A 77 -6.587 -32.868 -3.179 1.00 64.03 C ATOM 1178 O ARG A 77 -6.266 -31.681 -3.181 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.783 -33.056 -2.074 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.713 -33.772 -1.106 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.167 -33.489 -1.458 1.00 35.21 C ATOM 1182 NE ARG A 77 -12.064 -33.672 -0.313 1.00 33.43 N ATOM 1183 CZ ARG A 77 -12.674 -32.676 0.331 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -12.463 -31.418 -0.028 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -13.484 -32.942 1.345 1.00 24.22 N ATOM 0 H ARG A 77 -6.313 -32.021 -0.834 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.239 -34.546 -1.975 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -8.861 -31.983 -1.900 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.131 -33.241 -3.090 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.527 -34.845 -1.140 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.509 -33.445 -0.087 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.257 -32.467 -1.827 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -11.477 -34.149 -2.268 1.00 35.21 H new ATOM 0 HE ARG A 77 -12.233 -34.624 0.013 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -11.831 -31.207 -0.801 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -12.932 -30.660 0.468 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -13.641 -33.908 1.633 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -13.951 -32.181 1.838 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.356 -33.684 -4.196 1.00 43.11 N ATOM 1200 CA GLU A 78 -5.745 -33.203 -5.433 1.00 10.22 C ATOM 1201 C GLU A 78 -6.715 -32.263 -6.139 1.00 23.31 C ATOM 1202 O GLU A 78 -6.308 -31.341 -6.853 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.338 -34.366 -6.349 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.196 -35.209 -5.791 1.00 21.42 C ATOM 1205 CD GLU A 78 -3.680 -36.230 -6.788 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -2.788 -35.889 -7.593 1.00 24.35 O ATOM 1207 OE2 GLU A 78 -4.165 -37.380 -6.780 1.00 3.12 O ATOM 0 H GLU A 78 -6.580 -34.679 -4.193 1.00 43.11 H new ATOM 0 HA GLU A 78 -4.833 -32.660 -5.187 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.204 -35.007 -6.516 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.044 -33.968 -7.320 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.378 -34.553 -5.493 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -4.536 -35.724 -4.892 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.003 -32.517 -5.917 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.067 -31.641 -6.382 1.00 62.11 C ATOM 1216 C GLU A 79 -8.911 -30.251 -5.768 1.00 42.33 C ATOM 1217 O GLU A 79 -8.905 -29.245 -6.468 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.433 -32.231 -6.005 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.593 -31.268 -6.213 1.00 54.04 C ATOM 1220 CD GLU A 79 -12.925 -31.848 -5.782 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.065 -32.213 -4.597 1.00 35.35 O ATOM 1222 OE2 GLU A 79 -13.847 -31.920 -6.621 1.00 35.41 O ATOM 0 H GLU A 79 -8.335 -33.337 -5.409 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.004 -31.555 -7.467 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.607 -33.129 -6.598 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.410 -32.538 -4.959 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.403 -30.352 -5.653 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.646 -30.993 -7.266 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.770 -30.207 -4.450 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.586 -28.944 -3.743 1.00 23.21 C ATOM 1231 C ASP A 80 -7.271 -28.296 -4.150 1.00 50.24 C ATOM 1232 O ASP A 80 -7.176 -27.074 -4.246 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.664 -29.143 -2.225 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.104 -29.224 -1.732 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.709 -28.167 -1.441 1.00 72.24 O ATOM 1236 OD2 ASP A 80 -10.643 -30.342 -1.655 1.00 34.04 O ATOM 0 H ASP A 80 -8.779 -31.030 -3.848 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.397 -28.272 -4.024 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.136 -30.056 -1.952 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.156 -28.319 -1.725 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.256 -29.121 -4.391 1.00 52.33 N ATOM 1242 CA ILE A 81 -4.972 -28.631 -4.880 1.00 75.11 C ATOM 1243 C ILE A 81 -5.147 -27.893 -6.214 1.00 23.01 C ATOM 1244 O ILE A 81 -4.600 -26.799 -6.399 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.941 -29.783 -5.032 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.612 -30.377 -3.651 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.667 -29.294 -5.723 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.706 -31.594 -3.692 1.00 11.21 C ATOM 0 H ILE A 81 -6.298 -30.131 -4.256 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.584 -27.932 -4.139 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.382 -30.560 -5.657 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.139 -29.607 -3.041 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.544 -30.649 -3.155 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.963 -30.121 -5.816 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.914 -28.914 -6.714 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.215 -28.498 -5.132 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.526 -31.948 -2.677 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.184 -32.384 -4.272 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.757 -31.326 -4.157 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.928 -28.466 -7.139 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.166 -27.793 -8.416 1.00 13.24 C ATOM 1262 C GLU A 82 -7.013 -26.542 -8.188 1.00 5.44 C ATOM 1263 O GLU A 82 -6.790 -25.515 -8.828 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.824 -28.704 -9.471 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.310 -28.969 -9.265 1.00 75.31 C ATOM 1266 CD GLU A 82 -9.000 -29.434 -10.536 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -9.005 -30.652 -10.810 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -9.532 -28.578 -11.278 1.00 14.40 O ATOM 0 H GLU A 82 -6.392 -29.368 -7.031 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.191 -27.516 -8.818 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.685 -28.254 -10.454 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -6.299 -29.659 -9.481 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -8.437 -29.724 -8.489 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.792 -28.059 -8.906 1.00 75.31 H new ATOM 1275 N ARG A 83 -7.967 -26.632 -7.251 1.00 62.13 N ATOM 1276 CA ARG A 83 -8.805 -25.491 -6.875 1.00 64.02 C ATOM 1277 C ARG A 83 -7.940 -24.312 -6.454 1.00 23.45 C ATOM 1278 O ARG A 83 -8.078 -23.205 -6.973 1.00 51.11 O ATOM 1279 CB ARG A 83 -9.745 -25.840 -5.712 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.844 -26.838 -6.046 1.00 32.11 C ATOM 1281 CD ARG A 83 -11.705 -27.114 -4.820 1.00 70.23 C ATOM 1282 NE ARG A 83 -12.813 -28.026 -5.097 1.00 52.13 N ATOM 1283 CZ ARG A 83 -13.446 -28.721 -4.154 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -13.031 -28.666 -2.893 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -14.481 -29.489 -4.472 1.00 32.14 N ATOM 0 H ARG A 83 -8.176 -27.489 -6.739 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.400 -25.230 -7.750 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -9.149 -26.240 -4.892 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -10.208 -24.921 -5.351 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -11.464 -26.448 -6.853 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -10.402 -27.768 -6.404 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -11.082 -27.537 -4.032 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.102 -26.172 -4.442 1.00 70.23 H new ATOM 0 HE ARG A 83 -13.118 -28.136 -6.064 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -12.226 -28.091 -2.646 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -13.517 -29.199 -2.172 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -14.794 -29.548 -5.441 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -14.964 -30.020 -3.747 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.041 -24.564 -5.512 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.227 -23.507 -4.947 1.00 41.51 C ATOM 1301 C VAL A 84 -5.252 -22.954 -5.990 1.00 42.42 C ATOM 1302 O VAL A 84 -5.160 -21.746 -6.165 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.474 -23.969 -3.665 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.397 -25.007 -3.977 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -4.882 -22.775 -2.923 1.00 65.02 C ATOM 0 H VAL A 84 -6.860 -25.491 -5.126 1.00 60.34 H new ATOM 0 HA VAL A 84 -6.901 -22.704 -4.648 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.206 -24.449 -3.015 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -3.897 -25.301 -3.054 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -4.857 -25.882 -4.435 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.667 -24.579 -4.664 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.361 -23.123 -2.031 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.180 -22.254 -3.574 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -5.682 -22.094 -2.633 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.557 -23.834 -6.715 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.592 -23.382 -7.720 1.00 63.21 C ATOM 1317 C ARG A 85 -4.267 -22.537 -8.808 1.00 31.04 C ATOM 1318 O ARG A 85 -3.716 -21.524 -9.233 1.00 74.34 O ATOM 1319 CB ARG A 85 -2.833 -24.560 -8.353 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.673 -25.453 -9.258 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.824 -26.508 -9.965 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.629 -27.357 -10.849 1.00 64.53 N ATOM 1323 CZ ARG A 85 -3.914 -27.060 -12.120 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -3.466 -25.935 -12.665 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -4.641 -27.897 -12.842 1.00 44.23 N ATOM 0 H ARG A 85 -4.642 -24.847 -6.628 1.00 32.12 H new ATOM 0 HA ARG A 85 -2.868 -22.755 -7.200 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -1.997 -24.166 -8.931 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.410 -25.171 -7.556 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.445 -25.945 -8.667 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.183 -24.840 -10.001 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.044 -26.016 -10.546 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -2.324 -27.129 -9.222 1.00 12.03 H new ATOM 0 HE ARG A 85 -3.995 -28.230 -10.469 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -2.900 -25.291 -12.113 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -3.688 -25.715 -13.636 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -4.981 -28.765 -12.428 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -4.861 -27.675 -13.813 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.463 -22.940 -9.250 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.179 -22.203 -10.299 1.00 61.13 C ATOM 1341 C ARG A 86 -6.722 -20.883 -9.745 1.00 43.24 C ATOM 1342 O ARG A 86 -6.668 -19.849 -10.412 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.313 -23.055 -10.896 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.461 -23.336 -9.934 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.402 -24.415 -10.459 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.042 -24.034 -11.715 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.488 -24.902 -12.623 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -10.338 -26.210 -12.442 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.088 -24.457 -13.718 1.00 54.51 N ATOM 0 H ARG A 86 -5.953 -23.764 -8.902 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.476 -21.978 -11.101 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.708 -22.547 -11.776 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -6.898 -24.004 -11.235 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.057 -23.646 -8.970 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.023 -22.418 -9.764 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -8.844 -25.340 -10.605 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.168 -24.620 -9.711 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.155 -23.039 -11.910 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -9.878 -26.559 -11.601 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -10.683 -26.865 -13.144 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -11.207 -23.454 -13.863 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -11.431 -25.117 -14.416 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.225 -20.927 -8.512 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.730 -19.734 -7.835 1.00 5.31 C ATOM 1365 C HIS A 87 -6.594 -18.737 -7.631 1.00 35.45 C ATOM 1366 O HIS A 87 -6.773 -17.528 -7.757 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.349 -20.124 -6.483 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.902 -18.972 -5.690 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -8.288 -18.075 -4.878 1.00 60.25 N flip ATOM 1370 CD2 HIS A 87 -10.241 -18.649 -5.663 1.00 1.45 C flip ATOM 1371 CE1 HIS A 87 -9.258 -17.242 -4.382 1.00 50.53 C flip ATOM 1372 NE2 HIS A 87 -10.427 -17.608 -4.873 1.00 10.01 N flip ATOM 0 H HIS A 87 -7.294 -21.781 -7.959 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.500 -19.268 -8.451 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.149 -20.844 -6.659 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.591 -20.629 -5.884 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -11.018 -19.167 -6.205 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -9.092 -16.421 -3.701 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -11.323 -17.162 -4.675 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.426 -19.268 -7.301 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.223 -18.469 -7.092 1.00 61.31 C ATOM 1383 C LEU A 88 -3.642 -17.991 -8.430 1.00 10.22 C ATOM 1384 O LEU A 88 -3.107 -16.878 -8.529 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.194 -19.290 -6.293 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.361 -19.260 -4.755 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.842 -17.945 -4.174 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.820 -19.466 -4.339 1.00 1.22 C ATOM 0 H LEU A 88 -5.283 -20.269 -7.170 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.480 -17.579 -6.518 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.246 -20.327 -6.626 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.196 -18.926 -6.539 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.771 -20.085 -4.356 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.971 -17.949 -3.092 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.784 -17.834 -4.413 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.400 -17.113 -4.602 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.896 -19.438 -3.252 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.435 -18.674 -4.766 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.169 -20.432 -4.703 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.785 -18.827 -9.462 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.286 -18.510 -10.802 1.00 61.34 C ATOM 1402 C ALA A 89 -3.948 -17.249 -11.342 1.00 73.12 C ATOM 1403 O ALA A 89 -3.418 -16.588 -12.237 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.518 -19.680 -11.752 1.00 24.15 C ATOM 0 H ALA A 89 -4.246 -19.734 -9.393 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.213 -18.330 -10.730 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.141 -19.425 -12.742 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -2.994 -20.560 -11.380 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.585 -19.892 -11.814 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.120 -16.932 -10.799 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.825 -15.702 -11.137 1.00 63.34 C ATOM 1412 C LEU A 90 -4.942 -14.489 -10.850 1.00 72.14 C ATOM 1413 O LEU A 90 -4.831 -13.576 -11.669 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.129 -15.604 -10.336 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.140 -16.735 -10.593 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.363 -16.595 -9.690 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.553 -16.766 -12.061 1.00 12.44 C ATOM 0 H LEU A 90 -5.604 -17.516 -10.117 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.064 -15.718 -12.200 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -6.885 -15.591 -9.274 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.607 -14.652 -10.565 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.654 -17.681 -10.354 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.060 -17.408 -9.893 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.051 -16.637 -8.646 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -9.852 -15.640 -9.885 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.268 -17.573 -12.221 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.013 -15.815 -12.330 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.673 -16.932 -12.683 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.306 -14.506 -9.683 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.391 -13.441 -9.282 1.00 44.25 C ATOM 1431 C GLN A 91 -2.058 -13.608 -10.000 1.00 0.14 C ATOM 1432 O GLN A 91 -1.429 -12.631 -10.414 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.174 -13.445 -7.758 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.404 -13.031 -6.949 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.553 -14.022 -7.037 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -5.233 -15.304 -7.136 1.00 23.24 O flip ATOM 1437 NE2 GLN A 91 -6.722 -13.642 -6.990 1.00 3.21 N flip ATOM 0 H GLN A 91 -4.408 -15.251 -8.994 1.00 52.33 H new ATOM 0 HA GLN A 91 -3.834 -12.484 -9.559 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -2.869 -14.445 -7.448 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.351 -12.772 -7.518 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.118 -12.912 -5.904 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.748 -12.057 -7.299 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -6.932 -12.647 -6.914 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -7.481 -14.322 -7.027 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.637 -14.859 -10.148 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.387 -15.147 -10.835 1.00 34.23 C ATOM 1448 C GLY A 92 0.102 -16.556 -10.579 1.00 75.14 C ATOM 1449 O GLY A 92 -0.504 -17.296 -9.801 1.00 41.34 O ATOM 0 H GLY A 92 -2.137 -15.680 -9.806 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.523 -15.002 -11.907 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.374 -14.437 -10.511 1.00 34.23 H new ATOM 1453 N TRP A 93 1.202 -16.925 -11.223 1.00 61.24 N ATOM 1454 CA TRP A 93 1.773 -18.256 -11.081 1.00 33.44 C ATOM 1455 C TRP A 93 3.301 -18.174 -11.030 1.00 44.25 C ATOM 1456 O TRP A 93 3.983 -18.397 -12.030 1.00 71.23 O ATOM 1457 CB TRP A 93 1.315 -19.156 -12.236 1.00 43.23 C ATOM 1458 CG TRP A 93 1.707 -20.597 -12.072 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.642 -21.293 -12.789 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.172 -21.515 -11.115 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.711 -22.588 -12.337 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.820 -22.748 -11.309 1.00 25.43 C ATOM 1463 CE3 TRP A 93 0.207 -21.408 -10.109 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.527 -23.870 -10.537 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.083 -22.518 -9.344 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.579 -23.735 -9.561 1.00 55.20 C ATOM 0 H TRP A 93 1.720 -16.314 -11.854 1.00 61.24 H new ATOM 0 HA TRP A 93 1.422 -18.693 -10.146 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.231 -19.092 -12.327 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.736 -18.778 -13.168 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.238 -20.884 -13.592 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.326 -23.313 -12.707 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.303 -20.472 -9.934 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 2.030 -24.811 -10.703 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -0.830 -22.449 -8.567 1.00 15.35 H new ATOM 0 HH2 TRP A 93 0.334 -24.586 -8.943 1.00 55.20 H new ATOM 1477 N PRO A 94 3.858 -17.820 -9.859 1.00 44.24 N ATOM 1478 CA PRO A 94 5.305 -17.671 -9.679 1.00 44.31 C ATOM 1479 C PRO A 94 6.002 -18.998 -9.371 1.00 13.14 C ATOM 1480 O PRO A 94 7.217 -19.041 -9.183 1.00 65.31 O ATOM 1481 CB PRO A 94 5.393 -16.723 -8.479 1.00 70.01 C ATOM 1482 CG PRO A 94 4.189 -17.051 -7.655 1.00 24.04 C ATOM 1483 CD PRO A 94 3.117 -17.517 -8.615 1.00 52.13 C ATOM 0 HA PRO A 94 5.800 -17.306 -10.579 1.00 44.31 H new ATOM 0 HB2 PRO A 94 6.314 -16.879 -7.917 1.00 70.01 H new ATOM 0 HB3 PRO A 94 5.385 -15.680 -8.796 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.419 -17.828 -6.926 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.854 -16.178 -7.095 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.597 -18.397 -8.236 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.364 -16.746 -8.777 1.00 52.13 H new ATOM 1491 N LEU A 95 5.227 -20.079 -9.328 1.00 20.13 N ATOM 1492 CA LEU A 95 5.758 -21.396 -8.978 1.00 2.45 C ATOM 1493 C LEU A 95 6.707 -21.906 -10.061 1.00 23.05 C ATOM 1494 O LEU A 95 7.604 -22.702 -9.782 1.00 42.11 O ATOM 1495 CB LEU A 95 4.613 -22.412 -8.783 1.00 12.24 C ATOM 1496 CG LEU A 95 4.658 -23.214 -7.474 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.279 -22.332 -6.292 1.00 71.12 C ATOM 1498 CD2 LEU A 95 3.749 -24.441 -7.552 1.00 44.11 C ATOM 0 H LEU A 95 4.228 -20.070 -9.531 1.00 20.13 H new ATOM 0 HA LEU A 95 6.308 -21.292 -8.043 1.00 2.45 H new ATOM 0 HB2 LEU A 95 3.664 -21.877 -8.829 1.00 12.24 H new ATOM 0 HB3 LEU A 95 4.625 -23.112 -9.618 1.00 12.24 H new ATOM 0 HG LEU A 95 5.680 -23.564 -7.325 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.317 -22.918 -5.374 1.00 71.12 H new ATOM 0 HD12 LEU A 95 4.979 -21.499 -6.220 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.270 -21.946 -6.435 1.00 71.12 H new ATOM 0 HD21 LEU A 95 3.799 -24.991 -6.612 1.00 44.11 H new ATOM 0 HD22 LEU A 95 2.722 -24.122 -7.731 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.077 -25.085 -8.368 1.00 44.11 H new ATOM 1510 N ASP A 96 6.497 -21.423 -11.287 1.00 4.21 N ATOM 1511 CA ASP A 96 7.172 -21.953 -12.477 1.00 41.33 C ATOM 1512 C ASP A 96 8.682 -22.106 -12.270 1.00 64.42 C ATOM 1513 O ASP A 96 9.233 -23.185 -12.481 1.00 63.40 O ATOM 1514 CB ASP A 96 6.901 -21.056 -13.691 1.00 13.44 C ATOM 1515 CG ASP A 96 7.392 -21.673 -14.990 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.647 -22.482 -15.586 1.00 32.34 O ATOM 1517 OD2 ASP A 96 8.522 -21.353 -15.426 1.00 52.41 O ATOM 0 H ASP A 96 5.856 -20.655 -11.485 1.00 4.21 H new ATOM 0 HA ASP A 96 6.762 -22.947 -12.659 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.831 -20.864 -13.765 1.00 13.44 H new ATOM 0 HB3 ASP A 96 7.388 -20.092 -13.543 1.00 13.44 H new ATOM 1522 N ASP A 97 9.339 -21.036 -11.836 1.00 25.14 N ATOM 1523 CA ASP A 97 10.791 -21.053 -11.648 1.00 42.42 C ATOM 1524 C ASP A 97 11.196 -20.044 -10.570 1.00 63.11 C ATOM 1525 O ASP A 97 10.678 -18.924 -10.553 1.00 10.23 O ATOM 1526 CB ASP A 97 11.498 -20.734 -12.979 1.00 35.12 C ATOM 1527 CG ASP A 97 13.014 -20.888 -12.910 1.00 13.01 C ATOM 1528 OD1 ASP A 97 13.499 -22.037 -12.850 1.00 24.13 O ATOM 1529 OD2 ASP A 97 13.729 -19.863 -12.945 1.00 25.30 O ATOM 0 H ASP A 97 8.894 -20.147 -11.608 1.00 25.14 H new ATOM 0 HA ASP A 97 11.095 -22.048 -11.321 1.00 42.42 H new ATOM 0 HB2 ASP A 97 11.108 -21.392 -13.756 1.00 35.12 H new ATOM 0 HB3 ASP A 97 11.257 -19.713 -13.275 1.00 35.12 H new ATOM 1534 N PRO A 98 12.099 -20.442 -9.643 1.00 61.44 N ATOM 1535 CA PRO A 98 12.564 -19.579 -8.535 1.00 22.22 C ATOM 1536 C PRO A 98 13.145 -18.238 -9.003 1.00 64.45 C ATOM 1537 O PRO A 98 13.125 -17.908 -10.187 1.00 40.33 O ATOM 1538 CB PRO A 98 13.649 -20.429 -7.852 1.00 75.31 C ATOM 1539 CG PRO A 98 13.303 -21.835 -8.199 1.00 75.22 C ATOM 1540 CD PRO A 98 12.729 -21.779 -9.589 1.00 2.44 C ATOM 0 HA PRO A 98 11.739 -19.298 -7.881 1.00 22.22 H new ATOM 0 HB2 PRO A 98 14.643 -20.166 -8.212 1.00 75.31 H new ATOM 0 HB3 PRO A 98 13.650 -20.276 -6.773 1.00 75.31 H new ATOM 0 HG2 PRO A 98 14.184 -22.476 -8.164 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.582 -22.247 -7.493 1.00 75.22 H new ATOM 0 HD2 PRO A 98 13.503 -21.890 -10.349 1.00 2.44 H new ATOM 0 HD3 PRO A 98 12.002 -22.573 -9.756 1.00 2.44 H new ATOM 1548 N ARG A 99 13.672 -17.464 -8.057 1.00 2.21 N ATOM 1549 CA ARG A 99 14.263 -16.160 -8.364 1.00 74.20 C ATOM 1550 C ARG A 99 15.724 -16.355 -8.683 1.00 12.43 C ATOM 1551 O ARG A 99 16.305 -15.676 -9.527 1.00 11.52 O ATOM 1552 CB ARG A 99 14.103 -15.201 -7.171 1.00 55.11 C ATOM 1553 CG ARG A 99 14.789 -15.669 -5.880 1.00 55.34 C ATOM 1554 CD ARG A 99 16.224 -15.149 -5.758 1.00 0.14 C ATOM 1555 NE ARG A 99 16.989 -15.860 -4.728 1.00 74.25 N ATOM 1556 CZ ARG A 99 18.248 -15.561 -4.384 1.00 14.31 C ATOM 1557 NH1 ARG A 99 18.883 -14.543 -4.958 1.00 71.15 N ATOM 1558 NH2 ARG A 99 18.872 -16.289 -3.466 1.00 34.22 N ATOM 0 H ARG A 99 13.703 -17.716 -7.069 1.00 2.21 H new ATOM 0 HA ARG A 99 13.752 -15.720 -9.221 1.00 74.20 H new ATOM 0 HB2 ARG A 99 14.505 -14.227 -7.448 1.00 55.11 H new ATOM 0 HB3 ARG A 99 13.040 -15.062 -6.973 1.00 55.11 H new ATOM 0 HG2 ARG A 99 14.209 -15.331 -5.021 1.00 55.34 H new ATOM 0 HG3 ARG A 99 14.797 -16.759 -5.851 1.00 55.34 H new ATOM 0 HD2 ARG A 99 16.729 -15.253 -6.719 1.00 0.14 H new ATOM 0 HD3 ARG A 99 16.204 -14.085 -5.522 1.00 0.14 H new ATOM 0 HE ARG A 99 16.532 -16.632 -4.242 1.00 74.25 H new ATOM 0 HH11 ARG A 99 18.411 -13.982 -5.667 1.00 71.15 H new ATOM 0 HH12 ARG A 99 19.842 -14.323 -4.689 1.00 71.15 H new ATOM 0 HH21 ARG A 99 18.392 -17.074 -3.025 1.00 34.22 H new ATOM 0 HH22 ARG A 99 19.831 -16.064 -3.202 1.00 34.22 H new ATOM 1572 N ASP A 100 16.300 -17.290 -7.957 1.00 34.03 N ATOM 1573 CA ASP A 100 17.694 -17.658 -8.119 1.00 4.54 C ATOM 1574 C ASP A 100 17.886 -18.489 -9.380 1.00 5.05 C ATOM 1575 O ASP A 100 17.024 -19.291 -9.754 1.00 4.23 O ATOM 1576 CB ASP A 100 18.179 -18.433 -6.888 1.00 74.24 C ATOM 1577 CG ASP A 100 17.278 -19.603 -6.538 1.00 41.42 C ATOM 1578 OD1 ASP A 100 16.273 -19.386 -5.822 1.00 53.41 O ATOM 1579 OD2 ASP A 100 17.569 -20.737 -6.970 1.00 64.40 O ATOM 0 H ASP A 100 15.813 -17.820 -7.234 1.00 34.03 H new ATOM 0 HA ASP A 100 18.286 -16.748 -8.217 1.00 4.54 H new ATOM 0 HB2 ASP A 100 19.189 -18.800 -7.070 1.00 74.24 H new ATOM 0 HB3 ASP A 100 18.234 -17.755 -6.036 1.00 74.24 H new ATOM 1584 N GLY A 101 19.014 -18.275 -10.040 1.00 74.34 N ATOM 1585 CA GLY A 101 19.336 -19.012 -11.240 1.00 25.12 C ATOM 1586 C GLY A 101 19.960 -20.347 -10.913 1.00 52.40 C ATOM 1587 O GLY A 101 21.171 -20.537 -11.091 1.00 71.02 O ATOM 0 H GLY A 101 19.720 -17.594 -9.759 1.00 74.34 H new ATOM 0 HA2 GLY A 101 18.432 -19.165 -11.829 1.00 25.12 H new ATOM 0 HA3 GLY A 101 20.021 -18.429 -11.855 1.00 25.12 H new ATOM 1591 N GLU A 102 19.141 -21.255 -10.387 1.00 61.22 N ATOM 1592 CA GLU A 102 19.577 -22.613 -10.076 1.00 32.33 C ATOM 1593 C GLU A 102 20.241 -23.238 -11.302 1.00 51.53 C ATOM 1594 O GLU A 102 19.659 -23.273 -12.385 1.00 60.02 O ATOM 1595 CB GLU A 102 18.388 -23.469 -9.613 1.00 34.42 C ATOM 1596 CG GLU A 102 18.770 -24.891 -9.206 1.00 13.32 C ATOM 1597 CD GLU A 102 19.786 -24.927 -8.076 1.00 54.40 C ATOM 1598 OE1 GLU A 102 19.384 -24.801 -6.900 1.00 20.04 O ATOM 1599 OE2 GLU A 102 20.994 -25.089 -8.354 1.00 2.40 O ATOM 0 H GLU A 102 18.162 -21.071 -10.166 1.00 61.22 H new ATOM 0 HA GLU A 102 20.303 -22.572 -9.264 1.00 32.33 H new ATOM 0 HB2 GLU A 102 17.906 -22.977 -8.768 1.00 34.42 H new ATOM 0 HB3 GLU A 102 17.653 -23.517 -10.416 1.00 34.42 H new ATOM 0 HG2 GLU A 102 17.873 -25.430 -8.900 1.00 13.32 H new ATOM 0 HG3 GLU A 102 19.177 -25.415 -10.071 1.00 13.32 H new ATOM 1606 N GLU A 103 21.461 -23.724 -11.120 1.00 70.30 N ATOM 1607 CA GLU A 103 22.280 -24.205 -12.231 1.00 12.44 C ATOM 1608 C GLU A 103 22.294 -25.731 -12.269 1.00 42.42 C ATOM 1609 O GLU A 103 22.387 -26.382 -11.226 1.00 71.41 O ATOM 1610 CB GLU A 103 23.702 -23.648 -12.107 1.00 24.55 C ATOM 1611 CG GLU A 103 23.756 -22.128 -12.198 1.00 24.21 C ATOM 1612 CD GLU A 103 25.144 -21.570 -11.950 1.00 42.24 C ATOM 1613 OE1 GLU A 103 25.924 -21.446 -12.916 1.00 42.02 O ATOM 1614 OE2 GLU A 103 25.452 -21.245 -10.783 1.00 25.23 O ATOM 0 H GLU A 103 21.911 -23.797 -10.207 1.00 70.30 H new ATOM 0 HA GLU A 103 21.848 -23.853 -13.167 1.00 12.44 H new ATOM 0 HB2 GLU A 103 24.129 -23.965 -11.155 1.00 24.55 H new ATOM 0 HB3 GLU A 103 24.324 -24.076 -12.893 1.00 24.55 H new ATOM 0 HG2 GLU A 103 23.416 -21.816 -13.185 1.00 24.21 H new ATOM 0 HG3 GLU A 103 23.063 -21.701 -11.473 1.00 24.21 H new ATOM 1621 N PRO A 104 22.204 -26.320 -13.477 1.00 15.24 N ATOM 1622 CA PRO A 104 22.113 -27.774 -13.655 1.00 63.11 C ATOM 1623 C PRO A 104 23.464 -28.485 -13.495 1.00 31.14 C ATOM 1624 O PRO A 104 23.900 -29.231 -14.377 1.00 73.41 O ATOM 1625 CB PRO A 104 21.583 -27.905 -15.088 1.00 43.14 C ATOM 1626 CG PRO A 104 22.129 -26.711 -15.796 1.00 23.44 C ATOM 1627 CD PRO A 104 22.185 -25.606 -14.773 1.00 13.25 C ATOM 0 HA PRO A 104 21.480 -28.243 -12.902 1.00 63.11 H new ATOM 0 HB2 PRO A 104 21.920 -28.831 -15.553 1.00 43.14 H new ATOM 0 HB3 PRO A 104 20.493 -27.916 -15.109 1.00 43.14 H new ATOM 0 HG2 PRO A 104 23.120 -26.918 -16.201 1.00 23.44 H new ATOM 0 HG3 PRO A 104 21.493 -26.432 -16.636 1.00 23.44 H new ATOM 0 HD2 PRO A 104 23.073 -24.988 -14.901 1.00 13.25 H new ATOM 0 HD3 PRO A 104 21.322 -24.945 -14.852 1.00 13.25 H new ATOM 1635 N ASP A 105 24.107 -28.272 -12.351 1.00 4.41 N ATOM 1636 CA ASP A 105 25.359 -28.958 -12.015 1.00 54.35 C ATOM 1637 C ASP A 105 25.061 -30.345 -11.454 1.00 44.21 C ATOM 1638 O ASP A 105 25.675 -30.789 -10.480 1.00 12.41 O ATOM 1639 CB ASP A 105 26.171 -28.137 -10.996 1.00 3.32 C ATOM 1640 CG ASP A 105 26.753 -26.871 -11.596 1.00 1.22 C ATOM 1641 OD1 ASP A 105 26.040 -25.849 -11.649 1.00 52.25 O ATOM 1642 OD2 ASP A 105 27.928 -26.894 -12.026 1.00 55.20 O ATOM 0 H ASP A 105 23.781 -27.625 -11.633 1.00 4.41 H new ATOM 0 HA ASP A 105 25.952 -29.062 -12.924 1.00 54.35 H new ATOM 0 HB2 ASP A 105 25.530 -27.874 -10.154 1.00 3.32 H new ATOM 0 HB3 ASP A 105 26.980 -28.752 -10.601 1.00 3.32 H new ATOM 1647 N GLY A 106 24.121 -31.032 -12.090 1.00 62.13 N ATOM 1648 CA GLY A 106 23.680 -32.325 -11.610 1.00 11.31 C ATOM 1649 C GLY A 106 24.597 -33.445 -12.043 1.00 65.20 C ATOM 1650 O GLY A 106 24.672 -34.479 -11.375 1.00 31.24 O ATOM 0 H GLY A 106 23.653 -30.712 -12.938 1.00 62.13 H new ATOM 0 HA2 GLY A 106 23.624 -32.305 -10.522 1.00 11.31 H new ATOM 0 HA3 GLY A 106 22.673 -32.521 -11.977 1.00 11.31 H new ATOM 1654 N GLU A 107 25.291 -33.247 -13.169 1.00 23.42 N ATOM 1655 CA GLU A 107 26.189 -34.266 -13.715 1.00 2.20 C ATOM 1656 C GLU A 107 25.428 -35.575 -13.923 1.00 40.21 C ATOM 1657 O GLU A 107 25.998 -36.667 -13.866 1.00 12.10 O ATOM 1658 CB GLU A 107 27.380 -34.487 -12.772 1.00 33.32 C ATOM 1659 CG GLU A 107 28.202 -33.231 -12.507 1.00 33.22 C ATOM 1660 CD GLU A 107 29.313 -33.474 -11.502 1.00 63.21 C ATOM 1661 OE1 GLU A 107 30.428 -33.853 -11.920 1.00 2.52 O ATOM 1662 OE2 GLU A 107 29.074 -33.303 -10.288 1.00 44.23 O ATOM 0 H GLU A 107 25.247 -32.389 -13.719 1.00 23.42 H new ATOM 0 HA GLU A 107 26.568 -33.922 -14.677 1.00 2.20 H new ATOM 0 HB2 GLU A 107 27.011 -34.875 -11.822 1.00 33.32 H new ATOM 0 HB3 GLU A 107 28.030 -35.251 -13.197 1.00 33.32 H new ATOM 0 HG2 GLU A 107 28.633 -32.877 -13.443 1.00 33.22 H new ATOM 0 HG3 GLU A 107 27.547 -32.441 -12.138 1.00 33.22 H new ATOM 1669 N SER A 108 24.131 -35.445 -14.170 1.00 21.32 N ATOM 1670 CA SER A 108 23.235 -36.588 -14.266 1.00 31.33 C ATOM 1671 C SER A 108 23.214 -37.127 -15.698 1.00 60.00 C ATOM 1672 O SER A 108 24.040 -36.746 -16.531 1.00 11.30 O ATOM 1673 CB SER A 108 21.826 -36.167 -13.818 1.00 12.23 C ATOM 1674 OG SER A 108 20.965 -37.284 -13.670 1.00 51.11 O ATOM 0 H SER A 108 23.672 -34.545 -14.309 1.00 21.32 H new ATOM 0 HA SER A 108 23.590 -37.386 -13.613 1.00 31.33 H new ATOM 0 HB2 SER A 108 21.891 -35.630 -12.872 1.00 12.23 H new ATOM 0 HB3 SER A 108 21.404 -35.477 -14.548 1.00 12.23 H new ATOM 0 HG SER A 108 21.486 -38.063 -13.382 1.00 51.11 H new ATOM 1680 N GLY A 109 22.267 -38.015 -15.974 1.00 11.40 N ATOM 1681 CA GLY A 109 22.132 -38.592 -17.296 1.00 74.12 C ATOM 1682 C GLY A 109 20.707 -39.028 -17.568 1.00 72.41 C ATOM 1683 O GLY A 109 20.161 -39.858 -16.839 1.00 14.04 O ATOM 0 H GLY A 109 21.582 -38.349 -15.295 1.00 11.40 H new ATOM 0 HA2 GLY A 109 22.440 -37.863 -18.046 1.00 74.12 H new ATOM 0 HA3 GLY A 109 22.800 -39.448 -17.391 1.00 74.12 H new ATOM 1687 N GLY A 110 20.097 -38.452 -18.596 1.00 13.43 N ATOM 1688 CA GLY A 110 18.734 -38.799 -18.953 1.00 33.40 C ATOM 1689 C GLY A 110 18.661 -40.152 -19.634 1.00 63.40 C ATOM 1690 O GLY A 110 19.475 -40.438 -20.518 1.00 25.54 O ATOM 0 H GLY A 110 20.526 -37.745 -19.193 1.00 13.43 H new ATOM 0 HA2 GLY A 110 18.114 -38.809 -18.057 1.00 33.40 H new ATOM 0 HA3 GLY A 110 18.325 -38.036 -19.615 1.00 33.40 H new ATOM 1694 N PRO A 111 17.710 -41.018 -19.233 1.00 53.01 N ATOM 1695 CA PRO A 111 17.555 -42.348 -19.827 1.00 61.42 C ATOM 1696 C PRO A 111 16.841 -42.299 -21.178 1.00 45.21 C ATOM 1697 O PRO A 111 16.227 -41.286 -21.535 1.00 22.42 O ATOM 1698 CB PRO A 111 16.705 -43.092 -18.793 1.00 10.14 C ATOM 1699 CG PRO A 111 15.872 -42.029 -18.159 1.00 0.34 C ATOM 1700 CD PRO A 111 16.717 -40.775 -18.160 1.00 40.33 C ATOM 0 HA PRO A 111 18.514 -42.823 -20.033 1.00 61.42 H new ATOM 0 HB2 PRO A 111 16.084 -43.854 -19.264 1.00 10.14 H new ATOM 0 HB3 PRO A 111 17.329 -43.599 -18.057 1.00 10.14 H new ATOM 0 HG2 PRO A 111 14.947 -41.876 -18.715 1.00 0.34 H new ATOM 0 HG3 PRO A 111 15.591 -42.308 -17.144 1.00 0.34 H new ATOM 0 HD2 PRO A 111 16.117 -39.888 -18.364 1.00 40.33 H new ATOM 0 HD3 PRO A 111 17.200 -40.618 -17.196 1.00 40.33 H new ATOM 1708 N ARG A 112 16.919 -43.398 -21.919 1.00 2.23 N ATOM 1709 CA ARG A 112 16.263 -43.517 -23.214 1.00 23.43 C ATOM 1710 C ARG A 112 15.562 -44.872 -23.309 1.00 64.04 C ATOM 1711 O ARG A 112 16.236 -45.880 -23.604 1.00 53.13 O ATOM 1712 CB ARG A 112 17.286 -43.356 -24.348 1.00 24.42 C ATOM 1713 CG ARG A 112 16.678 -43.408 -25.746 1.00 72.30 C ATOM 1714 CD ARG A 112 17.744 -43.270 -26.824 1.00 52.41 C ATOM 1715 NE ARG A 112 18.510 -42.030 -26.685 1.00 62.15 N ATOM 1716 CZ ARG A 112 19.240 -41.483 -27.657 1.00 31.24 C ATOM 1717 NH1 ARG A 112 19.310 -42.060 -28.852 1.00 32.13 N ATOM 1718 NH2 ARG A 112 19.903 -40.360 -27.429 1.00 30.31 N ATOM 1719 OXT ARG A 112 14.340 -44.928 -23.061 1.00 0.00 O ATOM 0 H ARG A 112 17.438 -44.230 -21.639 1.00 2.23 H new ATOM 0 HA ARG A 112 15.520 -42.726 -23.314 1.00 23.43 H new ATOM 0 HB2 ARG A 112 17.804 -42.405 -24.224 1.00 24.42 H new ATOM 0 HB3 ARG A 112 18.037 -44.142 -24.260 1.00 24.42 H new ATOM 0 HG2 ARG A 112 16.146 -44.350 -25.878 1.00 72.30 H new ATOM 0 HG3 ARG A 112 15.944 -42.610 -25.854 1.00 72.30 H new ATOM 0 HD2 ARG A 112 18.422 -44.122 -26.774 1.00 52.41 H new ATOM 0 HD3 ARG A 112 17.272 -43.296 -27.806 1.00 52.41 H new ATOM 0 HE ARG A 112 18.483 -41.553 -25.784 1.00 62.15 H new ATOM 0 HH11 ARG A 112 18.803 -42.927 -29.030 1.00 32.13 H new ATOM 0 HH12 ARG A 112 19.871 -41.636 -29.591 1.00 32.13 H new ATOM 0 HH21 ARG A 112 19.854 -39.916 -26.512 1.00 30.31 H new ATOM 0 HH22 ARG A 112 20.463 -39.939 -28.170 1.00 30.31 H new TER 1733 ARG A 112