USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 900 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 64 MET CE :methyl -165:sc= -0.089 (180deg=-0.442) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.0158 K(o=-0.1,f=-1.1) USER MOD Set 2.1: A 31 ASN : amide:sc= -2.71! K(o=-9.2!,f=-5.5) USER MOD Set 2.2: A 112 CYS SG : rot -5:sc= -6.52! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.25) USER MOD Single : A 12 CYS SG : rot 50:sc= -2.9! USER MOD Single : A 15 THR OG1 : rot 159:sc= -0.0123 USER MOD Single : A 16 THR OG1 : rot -27:sc= 0.45 USER MOD Single : A 17 GLN : amide:sc= 0.334 K(o=0.33,f=-5.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.079) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 38 ASN : amide:sc= 0.00113 K(o=0.0011,f=-1.5) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.11) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -128:sc= -6.04! (180deg=-8.99!) USER MOD Single : A 89 GLN : amide:sc= -3.66! K(o=-3.7!,f=-0.39) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 74:sc= 1.27 USER MOD Single : A 107 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-4.1!) USER MOD Single : A 116 LYS NZ :NH3+ -169:sc= 1.11 (180deg=1.02) USER MOD Single : A 118 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-5.7!) USER MOD Single : A 121 MET CE :methyl -156:sc= -0.753 (180deg=-1.66) USER MOD ----------------------------------------------------------------- ATOM 59 N ALA A 5 -10.574 10.961 -10.448 1.00 0.00 N ATOM 60 CA ALA A 5 -10.129 10.352 -9.215 1.00 0.00 C ATOM 61 C ALA A 5 -8.943 9.456 -9.511 1.00 0.00 C ATOM 62 O ALA A 5 -9.069 8.453 -10.212 1.00 0.00 O ATOM 63 CB ALA A 5 -11.258 9.563 -8.570 1.00 0.00 C ATOM 0 HA ALA A 5 -9.827 11.128 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -10.903 9.112 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.091 10.231 -8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.590 8.779 -9.251 1.00 0.00 H new ATOM 69 N TYR A 6 -7.794 9.837 -9.004 1.00 0.00 N ATOM 70 CA TYR A 6 -6.560 9.142 -9.313 1.00 0.00 C ATOM 71 C TYR A 6 -6.237 8.126 -8.231 1.00 0.00 C ATOM 72 O TYR A 6 -6.454 8.384 -7.054 1.00 0.00 O ATOM 73 CB TYR A 6 -5.414 10.143 -9.452 1.00 0.00 C ATOM 74 CG TYR A 6 -5.669 11.199 -10.503 1.00 0.00 C ATOM 75 CD1 TYR A 6 -5.570 10.900 -11.855 1.00 0.00 C ATOM 76 CD2 TYR A 6 -6.009 12.496 -10.141 1.00 0.00 C ATOM 77 CE1 TYR A 6 -5.802 11.862 -12.817 1.00 0.00 C ATOM 78 CE2 TYR A 6 -6.242 13.464 -11.097 1.00 0.00 C ATOM 79 CZ TYR A 6 -6.136 13.142 -12.434 1.00 0.00 C ATOM 80 OH TYR A 6 -6.362 14.106 -13.389 1.00 0.00 O ATOM 0 H TYR A 6 -7.685 10.630 -8.371 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.686 8.614 -10.258 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.247 10.629 -8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.499 9.605 -9.701 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.307 9.898 -12.159 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.092 12.751 -9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.722 11.612 -13.865 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.506 14.468 -10.800 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.588 14.953 -12.951 1.00 0.00 H new ATOM 90 N GLN A 7 -5.744 6.965 -8.633 1.00 0.00 N ATOM 91 CA GLN A 7 -5.340 5.943 -7.678 1.00 0.00 C ATOM 92 C GLN A 7 -3.827 5.953 -7.492 1.00 0.00 C ATOM 93 O GLN A 7 -3.094 5.393 -8.310 1.00 0.00 O ATOM 94 CB GLN A 7 -5.788 4.541 -8.123 1.00 0.00 C ATOM 95 CG GLN A 7 -7.289 4.294 -8.029 1.00 0.00 C ATOM 96 CD GLN A 7 -8.079 4.964 -9.136 1.00 0.00 C ATOM 97 OE1 GLN A 7 -9.220 5.379 -8.934 1.00 0.00 O ATOM 98 NE2 GLN A 7 -7.496 5.038 -10.323 1.00 0.00 N ATOM 0 H GLN A 7 -5.614 6.707 -9.611 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.827 6.177 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.471 4.383 -9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.272 3.799 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.476 3.221 -8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.650 4.655 -7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.548 4.682 -10.449 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.995 5.451 -11.111 1.00 0.00 H new ATOM 107 N PRO A 8 -3.334 6.619 -6.434 1.00 0.00 N ATOM 108 CA PRO A 8 -1.918 6.586 -6.098 1.00 0.00 C ATOM 109 C PRO A 8 -1.536 5.210 -5.582 1.00 0.00 C ATOM 110 O PRO A 8 -0.693 4.523 -6.174 1.00 0.00 O ATOM 111 CB PRO A 8 -1.770 7.653 -5.007 1.00 0.00 C ATOM 112 CG PRO A 8 -3.129 7.788 -4.407 1.00 0.00 C ATOM 113 CD PRO A 8 -4.113 7.446 -5.494 1.00 0.00 C ATOM 0 HA PRO A 8 -1.268 6.781 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.037 7.352 -4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.428 8.600 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.245 7.119 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.292 8.802 -4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.970 6.901 -5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.501 8.342 -5.978 1.00 0.00 H new ATOM 121 N ILE A 9 -2.193 4.820 -4.492 1.00 0.00 N ATOM 122 CA ILE A 9 -2.065 3.485 -3.934 1.00 0.00 C ATOM 123 C ILE A 9 -3.305 2.660 -4.285 1.00 0.00 C ATOM 124 O ILE A 9 -4.414 3.195 -4.358 1.00 0.00 O ATOM 125 CB ILE A 9 -1.895 3.525 -2.399 1.00 0.00 C ATOM 126 CG1 ILE A 9 -0.793 4.509 -2.002 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.572 2.139 -1.861 1.00 0.00 C ATOM 128 CD1 ILE A 9 -0.494 4.506 -0.520 1.00 0.00 C ATOM 0 H ILE A 9 -2.829 5.425 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.174 3.027 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.836 3.861 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.117 4.265 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.087 5.514 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.456 2.187 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.383 1.454 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.645 1.781 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.296 5.226 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.393 4.779 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.170 3.511 -0.216 1.00 0.00 H new ATOM 140 N ALA A 10 -3.112 1.363 -4.487 1.00 0.00 N ATOM 141 CA ALA A 10 -4.178 0.470 -4.928 1.00 0.00 C ATOM 142 C ALA A 10 -5.263 0.295 -3.870 1.00 0.00 C ATOM 143 O ALA A 10 -6.447 0.502 -4.142 1.00 0.00 O ATOM 144 CB ALA A 10 -3.590 -0.878 -5.299 1.00 0.00 C ATOM 0 H ALA A 10 -2.214 0.900 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.650 0.924 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.387 -1.544 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.868 -0.750 -6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.092 -1.309 -4.431 1.00 0.00 H new ATOM 150 N GLU A 11 -4.851 -0.114 -2.679 1.00 0.00 N ATOM 151 CA GLU A 11 -5.770 -0.389 -1.575 1.00 0.00 C ATOM 152 C GLU A 11 -6.561 0.858 -1.211 1.00 0.00 C ATOM 153 O GLU A 11 -7.765 0.798 -0.966 1.00 0.00 O ATOM 154 CB GLU A 11 -5.011 -0.869 -0.334 1.00 0.00 C ATOM 155 CG GLU A 11 -3.835 -1.783 -0.630 1.00 0.00 C ATOM 156 CD GLU A 11 -2.607 -1.013 -1.059 1.00 0.00 C ATOM 157 OE1 GLU A 11 -1.886 -0.510 -0.181 1.00 0.00 O ATOM 158 OE2 GLU A 11 -2.382 -0.887 -2.279 1.00 0.00 O ATOM 0 H GLU A 11 -3.870 -0.266 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.451 -1.172 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.650 0.001 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.706 -1.393 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.601 -2.371 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.113 -2.487 -1.414 1.00 0.00 H new ATOM 165 N CYS A 12 -5.867 1.984 -1.175 1.00 0.00 N ATOM 166 CA CYS A 12 -6.484 3.250 -0.816 1.00 0.00 C ATOM 167 C CYS A 12 -7.595 3.599 -1.800 1.00 0.00 C ATOM 168 O CYS A 12 -8.686 4.016 -1.407 1.00 0.00 O ATOM 169 CB CYS A 12 -5.429 4.349 -0.789 1.00 0.00 C ATOM 170 SG CYS A 12 -4.002 3.969 0.251 1.00 0.00 S ATOM 0 H CYS A 12 -4.872 2.047 -1.391 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.925 3.160 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.085 4.534 -1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.889 5.272 -0.435 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.551 2.787 -0.046 1.00 0.00 H new ATOM 176 N GLY A 13 -7.311 3.424 -3.081 1.00 0.00 N ATOM 177 CA GLY A 13 -8.329 3.608 -4.089 1.00 0.00 C ATOM 178 C GLY A 13 -8.302 4.987 -4.712 1.00 0.00 C ATOM 179 O GLY A 13 -7.239 5.510 -5.046 1.00 0.00 O ATOM 0 H GLY A 13 -6.394 3.158 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.198 2.860 -4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.309 3.436 -3.644 1.00 0.00 H new ATOM 183 N ALA A 14 -9.477 5.585 -4.836 1.00 0.00 N ATOM 184 CA ALA A 14 -9.631 6.816 -5.591 1.00 0.00 C ATOM 185 C ALA A 14 -9.311 8.052 -4.756 1.00 0.00 C ATOM 186 O ALA A 14 -9.918 8.301 -3.712 1.00 0.00 O ATOM 187 CB ALA A 14 -11.045 6.906 -6.144 1.00 0.00 C ATOM 0 H ALA A 14 -10.340 5.235 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.915 6.791 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.156 7.831 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.235 6.055 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.759 6.896 -5.321 1.00 0.00 H new ATOM 193 N THR A 15 -8.345 8.815 -5.236 1.00 0.00 N ATOM 194 CA THR A 15 -7.991 10.094 -4.653 1.00 0.00 C ATOM 195 C THR A 15 -8.107 11.172 -5.727 1.00 0.00 C ATOM 196 O THR A 15 -7.411 11.120 -6.735 1.00 0.00 O ATOM 197 CB THR A 15 -6.553 10.062 -4.108 1.00 0.00 C ATOM 198 OG1 THR A 15 -6.352 8.862 -3.354 1.00 0.00 O ATOM 199 CG2 THR A 15 -6.280 11.267 -3.224 1.00 0.00 C ATOM 0 H THR A 15 -7.781 8.561 -6.047 1.00 0.00 H new ATOM 0 HA THR A 15 -8.667 10.311 -3.826 1.00 0.00 H new ATOM 0 HB THR A 15 -5.865 10.089 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.393 8.670 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.257 11.221 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.414 12.181 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.973 11.265 -2.383 1.00 0.00 H new ATOM 207 N THR A 16 -8.969 12.147 -5.516 1.00 0.00 N ATOM 208 CA THR A 16 -9.295 13.094 -6.573 1.00 0.00 C ATOM 209 C THR A 16 -8.294 14.248 -6.608 1.00 0.00 C ATOM 210 O THR A 16 -8.317 15.074 -7.523 1.00 0.00 O ATOM 211 CB THR A 16 -10.734 13.629 -6.409 1.00 0.00 C ATOM 212 OG1 THR A 16 -11.059 14.548 -7.459 1.00 0.00 O ATOM 213 CG2 THR A 16 -10.908 14.302 -5.064 1.00 0.00 C ATOM 0 H THR A 16 -9.454 12.307 -4.633 1.00 0.00 H new ATOM 0 HA THR A 16 -9.233 12.564 -7.523 1.00 0.00 H new ATOM 0 HB THR A 16 -11.413 12.778 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.239 14.972 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.929 14.671 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.708 13.584 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.212 15.137 -4.982 1.00 0.00 H new ATOM 221 N GLN A 17 -7.401 14.286 -5.624 1.00 0.00 N ATOM 222 CA GLN A 17 -6.326 15.268 -5.615 1.00 0.00 C ATOM 223 C GLN A 17 -5.453 15.083 -6.850 1.00 0.00 C ATOM 224 O GLN A 17 -4.902 14.005 -7.075 1.00 0.00 O ATOM 225 CB GLN A 17 -5.477 15.140 -4.344 1.00 0.00 C ATOM 226 CG GLN A 17 -6.235 15.482 -3.070 1.00 0.00 C ATOM 227 CD GLN A 17 -5.409 15.264 -1.814 1.00 0.00 C ATOM 228 OE1 GLN A 17 -5.420 14.181 -1.230 1.00 0.00 O ATOM 229 NE2 GLN A 17 -4.692 16.293 -1.385 1.00 0.00 N ATOM 0 H GLN A 17 -7.401 13.650 -4.826 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.766 16.265 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.100 14.120 -4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.610 15.795 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.555 16.523 -3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.137 14.873 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.709 17.175 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.123 16.203 -0.543 1.00 0.00 H new ATOM 238 N SER A 18 -5.331 16.137 -7.643 1.00 0.00 N ATOM 239 CA SER A 18 -4.597 16.078 -8.901 1.00 0.00 C ATOM 240 C SER A 18 -3.129 15.726 -8.657 1.00 0.00 C ATOM 241 O SER A 18 -2.463 15.154 -9.523 1.00 0.00 O ATOM 242 CB SER A 18 -4.718 17.418 -9.635 1.00 0.00 C ATOM 243 OG SER A 18 -4.018 17.407 -10.870 1.00 0.00 O ATOM 0 H SER A 18 -5.734 17.051 -7.436 1.00 0.00 H new ATOM 0 HA SER A 18 -5.029 15.294 -9.523 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.770 17.640 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.328 18.215 -9.003 1.00 0.00 H new ATOM 0 HG SER A 18 -4.118 18.277 -11.311 1.00 0.00 H new ATOM 249 N GLU A 19 -2.643 16.051 -7.465 1.00 0.00 N ATOM 250 CA GLU A 19 -1.272 15.742 -7.074 1.00 0.00 C ATOM 251 C GLU A 19 -1.017 14.238 -7.131 1.00 0.00 C ATOM 252 O GLU A 19 0.096 13.797 -7.421 1.00 0.00 O ATOM 253 CB GLU A 19 -0.986 16.259 -5.656 1.00 0.00 C ATOM 254 CG GLU A 19 -0.931 17.778 -5.533 1.00 0.00 C ATOM 255 CD GLU A 19 -2.221 18.456 -5.949 1.00 0.00 C ATOM 256 OE1 GLU A 19 -3.288 18.104 -5.405 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.175 19.333 -6.831 1.00 0.00 O ATOM 0 H GLU A 19 -3.183 16.533 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.604 16.239 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.756 15.881 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.036 15.846 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.704 18.045 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.114 18.157 -6.147 1.00 0.00 H new ATOM 264 N ALA A 20 -2.063 13.453 -6.885 1.00 0.00 N ATOM 265 CA ALA A 20 -1.944 12.000 -6.853 1.00 0.00 C ATOM 266 C ALA A 20 -1.511 11.451 -8.206 1.00 0.00 C ATOM 267 O ALA A 20 -0.817 10.441 -8.276 1.00 0.00 O ATOM 268 CB ALA A 20 -3.258 11.368 -6.420 1.00 0.00 C ATOM 0 H ALA A 20 -3.005 13.801 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.175 11.743 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.151 10.283 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.522 11.724 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.044 11.643 -7.124 1.00 0.00 H new ATOM 274 N ALA A 21 -1.889 12.143 -9.274 1.00 0.00 N ATOM 275 CA ALA A 21 -1.577 11.699 -10.629 1.00 0.00 C ATOM 276 C ALA A 21 -0.075 11.720 -10.894 1.00 0.00 C ATOM 277 O ALA A 21 0.408 11.108 -11.846 1.00 0.00 O ATOM 278 CB ALA A 21 -2.295 12.571 -11.644 1.00 0.00 C ATOM 0 H ALA A 21 -2.414 13.017 -9.229 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.921 10.670 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.055 12.230 -12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.371 12.503 -11.485 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.975 13.606 -11.525 1.00 0.00 H new ATOM 284 N ALA A 22 0.662 12.433 -10.055 1.00 0.00 N ATOM 285 CA ALA A 22 2.104 12.527 -10.207 1.00 0.00 C ATOM 286 C ALA A 22 2.823 11.564 -9.266 1.00 0.00 C ATOM 287 O ALA A 22 3.962 11.176 -9.516 1.00 0.00 O ATOM 288 CB ALA A 22 2.566 13.955 -9.960 1.00 0.00 C ATOM 0 H ALA A 22 0.285 12.954 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 22 2.356 12.246 -11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.648 14.013 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.088 14.621 -10.678 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.294 14.256 -8.948 1.00 0.00 H new ATOM 294 N TYR A 23 2.148 11.158 -8.197 1.00 0.00 N ATOM 295 CA TYR A 23 2.790 10.345 -7.169 1.00 0.00 C ATOM 296 C TYR A 23 2.333 8.900 -7.255 1.00 0.00 C ATOM 297 O TYR A 23 2.905 8.024 -6.611 1.00 0.00 O ATOM 298 CB TYR A 23 2.492 10.894 -5.769 1.00 0.00 C ATOM 299 CG TYR A 23 2.788 12.367 -5.610 1.00 0.00 C ATOM 300 CD1 TYR A 23 3.944 12.932 -6.138 1.00 0.00 C ATOM 301 CD2 TYR A 23 1.906 13.194 -4.932 1.00 0.00 C ATOM 302 CE1 TYR A 23 4.204 14.281 -5.995 1.00 0.00 C ATOM 303 CE2 TYR A 23 2.160 14.541 -4.784 1.00 0.00 C ATOM 304 CZ TYR A 23 3.307 15.080 -5.316 1.00 0.00 C ATOM 305 OH TYR A 23 3.557 16.422 -5.171 1.00 0.00 O ATOM 0 H TYR A 23 1.167 11.375 -8.019 1.00 0.00 H new ATOM 0 HA TYR A 23 3.865 10.387 -7.344 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.442 10.718 -5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.078 10.335 -5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.648 12.307 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.003 12.775 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.104 14.708 -6.412 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.461 15.170 -4.253 1.00 0.00 H new ATOM 0 HH TYR A 23 2.826 16.839 -4.669 1.00 0.00 H new ATOM 315 N GLN A 24 1.297 8.658 -8.047 1.00 0.00 N ATOM 316 CA GLN A 24 0.741 7.323 -8.189 1.00 0.00 C ATOM 317 C GLN A 24 1.749 6.373 -8.818 1.00 0.00 C ATOM 318 O GLN A 24 2.651 6.801 -9.545 1.00 0.00 O ATOM 319 CB GLN A 24 -0.541 7.348 -9.029 1.00 0.00 C ATOM 320 CG GLN A 24 -0.347 7.852 -10.449 1.00 0.00 C ATOM 321 CD GLN A 24 -1.592 7.693 -11.301 1.00 0.00 C ATOM 322 OE1 GLN A 24 -1.836 8.473 -12.221 1.00 0.00 O ATOM 323 NE2 GLN A 24 -2.397 6.682 -11.000 1.00 0.00 N ATOM 0 H GLN A 24 0.825 9.372 -8.601 1.00 0.00 H new ATOM 0 HA GLN A 24 0.499 6.963 -7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.957 6.341 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.277 7.978 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.062 8.904 -10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.478 7.311 -10.913 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.163 6.055 -10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.250 6.532 -11.538 1.00 0.00 H new ATOM 332 N LYS A 25 1.569 5.087 -8.549 1.00 0.00 N ATOM 333 CA LYS A 25 2.452 4.044 -9.065 1.00 0.00 C ATOM 334 C LYS A 25 1.761 2.700 -8.944 1.00 0.00 C ATOM 335 O LYS A 25 0.615 2.632 -8.488 1.00 0.00 O ATOM 336 CB LYS A 25 3.777 3.997 -8.279 1.00 0.00 C ATOM 337 CG LYS A 25 4.844 4.953 -8.790 1.00 0.00 C ATOM 338 CD LYS A 25 5.186 4.665 -10.239 1.00 0.00 C ATOM 339 CE LYS A 25 6.223 5.631 -10.785 1.00 0.00 C ATOM 340 NZ LYS A 25 6.447 5.417 -12.237 1.00 0.00 N ATOM 0 H LYS A 25 0.808 4.735 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 25 2.674 4.269 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.573 4.225 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.170 2.981 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.493 5.980 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.741 4.864 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.560 3.645 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.281 4.726 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.895 6.656 -10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.162 5.502 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.160 6.091 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.783 4.446 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.555 5.564 -12.751 1.00 0.00 H new ATOM 354 N ARG A 26 2.432 1.642 -9.377 1.00 0.00 N ATOM 355 CA ARG A 26 1.948 0.294 -9.137 1.00 0.00 C ATOM 356 C ARG A 26 2.111 -0.024 -7.654 1.00 0.00 C ATOM 357 O ARG A 26 3.049 -0.702 -7.234 1.00 0.00 O ATOM 358 CB ARG A 26 2.697 -0.722 -10.002 1.00 0.00 C ATOM 359 CG ARG A 26 2.167 -2.143 -9.882 1.00 0.00 C ATOM 360 CD ARG A 26 1.368 -2.569 -11.106 1.00 0.00 C ATOM 361 NE ARG A 26 0.090 -1.869 -11.230 1.00 0.00 N ATOM 362 CZ ARG A 26 -0.989 -2.400 -11.804 1.00 0.00 C ATOM 363 NH1 ARG A 26 -0.945 -3.639 -12.283 1.00 0.00 N ATOM 364 NH2 ARG A 26 -2.108 -1.693 -11.894 1.00 0.00 N ATOM 0 H ARG A 26 3.310 1.693 -9.894 1.00 0.00 H new ATOM 0 HA ARG A 26 0.895 0.231 -9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.639 -0.410 -11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.751 -0.713 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.002 -2.829 -9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.537 -2.220 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.963 -2.388 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.184 -3.642 -11.057 1.00 0.00 H new ATOM 0 HE ARG A 26 0.021 -0.922 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.085 -4.183 -12.211 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.771 -4.046 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.142 -0.743 -11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.934 -2.099 -12.333 1.00 0.00 H new ATOM 378 N TRP A 27 1.216 0.540 -6.871 1.00 0.00 N ATOM 379 CA TRP A 27 1.239 0.422 -5.428 1.00 0.00 C ATOM 380 C TRP A 27 0.337 -0.713 -5.004 1.00 0.00 C ATOM 381 O TRP A 27 -0.662 -0.963 -5.674 1.00 0.00 O ATOM 382 CB TRP A 27 0.720 1.719 -4.823 1.00 0.00 C ATOM 383 CG TRP A 27 1.635 2.340 -3.826 1.00 0.00 C ATOM 384 CD1 TRP A 27 2.132 1.754 -2.708 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.131 3.682 -3.845 1.00 0.00 C ATOM 386 NE1 TRP A 27 2.936 2.649 -2.030 1.00 0.00 N ATOM 387 CE2 TRP A 27 2.941 3.842 -2.710 1.00 0.00 C ATOM 388 CE3 TRP A 27 1.969 4.761 -4.717 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.589 5.044 -2.424 1.00 0.00 C ATOM 390 CZ3 TRP A 27 2.610 5.949 -4.431 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.412 6.084 -3.294 1.00 0.00 C ATOM 0 H TRP A 27 0.441 1.101 -7.224 1.00 0.00 H new ATOM 0 HA TRP A 27 2.256 0.228 -5.088 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.538 2.433 -5.626 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.240 1.525 -4.346 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.929 0.740 -2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.443 2.456 -1.166 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.353 4.667 -5.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.209 5.149 -1.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.490 6.790 -5.098 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.901 7.027 -3.099 1.00 0.00 H new ATOM 402 N LEU A 28 0.678 -1.401 -3.915 1.00 0.00 N ATOM 403 CA LEU A 28 -0.200 -2.437 -3.380 1.00 0.00 C ATOM 404 C LEU A 28 0.334 -3.048 -2.094 1.00 0.00 C ATOM 405 O LEU A 28 1.498 -2.868 -1.733 1.00 0.00 O ATOM 406 CB LEU A 28 -0.431 -3.535 -4.421 1.00 0.00 C ATOM 407 CG LEU A 28 0.828 -4.156 -5.021 1.00 0.00 C ATOM 408 CD1 LEU A 28 1.176 -5.466 -4.331 1.00 0.00 C ATOM 409 CD2 LEU A 28 0.642 -4.365 -6.509 1.00 0.00 C ATOM 0 H LEU A 28 1.543 -1.262 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.147 -1.953 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.021 -4.328 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.031 -3.121 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 28 1.660 -3.470 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.077 -5.885 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.349 -5.284 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.351 -6.169 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.544 -4.808 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.203 -5.031 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.451 -3.406 -6.990 1.00 0.00 H new ATOM 421 N VAL A 29 -0.538 -3.783 -1.420 1.00 0.00 N ATOM 422 CA VAL A 29 -0.171 -4.520 -0.225 1.00 0.00 C ATOM 423 C VAL A 29 0.098 -5.972 -0.579 1.00 0.00 C ATOM 424 O VAL A 29 -0.699 -6.620 -1.257 1.00 0.00 O ATOM 425 CB VAL A 29 -1.276 -4.460 0.858 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.989 -5.438 1.985 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.405 -3.059 1.416 1.00 0.00 C ATOM 0 H VAL A 29 -1.517 -3.884 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 29 0.727 -4.054 0.181 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.217 -4.740 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.781 -5.375 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.947 -6.451 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.034 -5.190 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.187 -3.040 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.458 -2.757 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.663 -2.370 0.612 1.00 0.00 H new ATOM 437 N ALA A 30 1.234 -6.471 -0.136 1.00 0.00 N ATOM 438 CA ALA A 30 1.573 -7.859 -0.341 1.00 0.00 C ATOM 439 C ALA A 30 1.550 -8.589 0.987 1.00 0.00 C ATOM 440 O ALA A 30 2.084 -8.097 1.984 1.00 0.00 O ATOM 441 CB ALA A 30 2.937 -7.989 -1.003 1.00 0.00 C ATOM 0 H ALA A 30 1.938 -5.932 0.369 1.00 0.00 H new ATOM 0 HA ALA A 30 0.836 -8.309 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.172 -9.043 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.922 -7.484 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.695 -7.532 -0.367 1.00 0.00 H new ATOM 447 N ASN A 31 0.922 -9.747 1.000 1.00 0.00 N ATOM 448 CA ASN A 31 0.867 -10.563 2.199 1.00 0.00 C ATOM 449 C ASN A 31 2.201 -11.278 2.375 1.00 0.00 C ATOM 450 O ASN A 31 2.928 -11.459 1.401 1.00 0.00 O ATOM 451 CB ASN A 31 -0.304 -11.551 2.104 1.00 0.00 C ATOM 452 CG ASN A 31 -0.308 -12.581 3.215 1.00 0.00 C ATOM 453 OD1 ASN A 31 -0.685 -12.293 4.349 1.00 0.00 O ATOM 454 ND2 ASN A 31 0.068 -13.802 2.880 1.00 0.00 N ATOM 0 H ASN A 31 0.442 -10.146 0.194 1.00 0.00 H new ATOM 0 HA ASN A 31 0.696 -9.938 3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.242 -10.996 2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.262 -12.063 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.052 -14.549 3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.374 -13.998 1.927 1.00 0.00 H new ATOM 461 N ASP A 32 2.538 -11.631 3.616 1.00 0.00 N ATOM 462 CA ASP A 32 3.819 -12.275 3.944 1.00 0.00 C ATOM 463 C ASP A 32 4.155 -13.436 2.999 1.00 0.00 C ATOM 464 O ASP A 32 5.328 -13.714 2.739 1.00 0.00 O ATOM 465 CB ASP A 32 3.814 -12.764 5.393 1.00 0.00 C ATOM 466 CG ASP A 32 5.205 -13.108 5.888 1.00 0.00 C ATOM 467 OD1 ASP A 32 5.961 -12.177 6.236 1.00 0.00 O ATOM 468 OD2 ASP A 32 5.547 -14.305 5.944 1.00 0.00 O ATOM 0 H ASP A 32 1.934 -11.481 4.424 1.00 0.00 H new ATOM 0 HA ASP A 32 4.594 -11.519 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.383 -11.994 6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.174 -13.642 5.476 1.00 0.00 H new ATOM 473 N ALA A 33 3.121 -14.103 2.482 1.00 0.00 N ATOM 474 CA ALA A 33 3.297 -15.186 1.510 1.00 0.00 C ATOM 475 C ALA A 33 4.028 -14.703 0.258 1.00 0.00 C ATOM 476 O ALA A 33 4.648 -15.488 -0.457 1.00 0.00 O ATOM 477 CB ALA A 33 1.942 -15.762 1.111 1.00 0.00 C ATOM 0 H ALA A 33 2.148 -13.911 2.721 1.00 0.00 H new ATOM 0 HA ALA A 33 3.901 -15.958 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.087 -16.565 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.439 -16.155 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.331 -14.978 0.664 1.00 0.00 H new ATOM 483 N GLY A 34 3.956 -13.403 0.010 1.00 0.00 N ATOM 484 CA GLY A 34 4.511 -12.837 -1.196 1.00 0.00 C ATOM 485 C GLY A 34 3.433 -12.600 -2.228 1.00 0.00 C ATOM 486 O GLY A 34 3.719 -12.199 -3.356 1.00 0.00 O ATOM 0 H GLY A 34 3.517 -12.725 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.011 -11.896 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.268 -13.508 -1.602 1.00 0.00 H new ATOM 490 N GLN A 35 2.186 -12.829 -1.823 1.00 0.00 N ATOM 491 CA GLN A 35 1.052 -12.760 -2.734 1.00 0.00 C ATOM 492 C GLN A 35 0.435 -11.363 -2.736 1.00 0.00 C ATOM 493 O GLN A 35 0.471 -10.655 -1.728 1.00 0.00 O ATOM 494 CB GLN A 35 -0.006 -13.796 -2.330 1.00 0.00 C ATOM 495 CG GLN A 35 -1.012 -14.101 -3.429 1.00 0.00 C ATOM 496 CD GLN A 35 -2.460 -13.887 -3.019 1.00 0.00 C ATOM 497 OE1 GLN A 35 -3.303 -13.564 -3.852 1.00 0.00 O ATOM 498 NE2 GLN A 35 -2.763 -14.076 -1.744 1.00 0.00 N ATOM 0 H GLN A 35 1.937 -13.065 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 35 1.409 -12.978 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.495 -14.720 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.540 -13.434 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.793 -13.473 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.884 -15.136 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.035 -14.344 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.724 -13.954 -1.425 1.00 0.00 H new ATOM 507 N TRP A 36 -0.120 -10.978 -3.880 1.00 0.00 N ATOM 508 CA TRP A 36 -0.816 -9.708 -4.017 1.00 0.00 C ATOM 509 C TRP A 36 -2.133 -9.727 -3.263 1.00 0.00 C ATOM 510 O TRP A 36 -2.990 -10.568 -3.529 1.00 0.00 O ATOM 511 CB TRP A 36 -1.105 -9.413 -5.487 1.00 0.00 C ATOM 512 CG TRP A 36 0.040 -8.820 -6.238 1.00 0.00 C ATOM 513 CD1 TRP A 36 1.365 -9.029 -6.016 1.00 0.00 C ATOM 514 CD2 TRP A 36 -0.046 -7.918 -7.345 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.111 -8.303 -6.912 1.00 0.00 N ATOM 516 CE2 TRP A 36 1.269 -7.610 -7.735 1.00 0.00 C ATOM 517 CE3 TRP A 36 -1.109 -7.335 -8.039 1.00 0.00 C ATOM 518 CZ2 TRP A 36 1.550 -6.745 -8.790 1.00 0.00 C ATOM 519 CZ3 TRP A 36 -0.827 -6.476 -9.084 1.00 0.00 C ATOM 520 CH2 TRP A 36 0.492 -6.185 -9.451 1.00 0.00 C ATOM 0 H TRP A 36 -0.099 -11.536 -4.734 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.170 -8.935 -3.602 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.404 -10.339 -5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.954 -8.732 -5.547 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.771 -9.671 -5.248 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.130 -8.284 -6.956 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.131 -7.551 -7.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.568 -6.524 -9.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.641 -6.020 -9.628 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.677 -5.506 -10.270 1.00 0.00 H new ATOM 531 N LEU A 37 -2.297 -8.801 -2.337 1.00 0.00 N ATOM 532 CA LEU A 37 -3.560 -8.655 -1.642 1.00 0.00 C ATOM 533 C LEU A 37 -4.498 -7.828 -2.509 1.00 0.00 C ATOM 534 O LEU A 37 -4.100 -6.801 -3.054 1.00 0.00 O ATOM 535 CB LEU A 37 -3.347 -7.993 -0.283 1.00 0.00 C ATOM 536 CG LEU A 37 -4.122 -8.624 0.871 1.00 0.00 C ATOM 537 CD1 LEU A 37 -3.745 -10.091 1.026 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.851 -7.865 2.160 1.00 0.00 C ATOM 0 H LEU A 37 -1.574 -8.141 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.002 -9.635 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.284 -8.021 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.629 -6.943 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.188 -8.566 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.307 -10.526 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.981 -10.626 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.677 -10.173 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.409 -8.324 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.785 -7.899 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.165 -6.828 2.044 1.00 0.00 H new ATOM 550 N ASN A 38 -5.733 -8.272 -2.650 1.00 0.00 N ATOM 551 CA ASN A 38 -6.628 -7.667 -3.626 1.00 0.00 C ATOM 552 C ASN A 38 -7.861 -7.087 -2.962 1.00 0.00 C ATOM 553 O ASN A 38 -8.206 -7.450 -1.837 1.00 0.00 O ATOM 554 CB ASN A 38 -7.068 -8.702 -4.656 1.00 0.00 C ATOM 555 CG ASN A 38 -7.211 -8.111 -6.046 1.00 0.00 C ATOM 556 OD1 ASN A 38 -8.233 -7.511 -6.376 1.00 0.00 O ATOM 557 ND2 ASN A 38 -6.195 -8.288 -6.872 1.00 0.00 N ATOM 0 H ASN A 38 -6.138 -9.038 -2.111 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.078 -6.863 -4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.342 -9.515 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.020 -9.135 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.241 -7.921 -7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.365 -8.792 -6.559 1.00 0.00 H new ATOM 564 N ARG A 39 -8.538 -6.208 -3.686 1.00 0.00 N ATOM 565 CA ARG A 39 -9.767 -5.592 -3.211 1.00 0.00 C ATOM 566 C ARG A 39 -10.872 -6.639 -3.060 1.00 0.00 C ATOM 567 O ARG A 39 -11.786 -6.476 -2.251 1.00 0.00 O ATOM 568 CB ARG A 39 -10.201 -4.494 -4.186 1.00 0.00 C ATOM 569 CG ARG A 39 -11.378 -3.666 -3.705 1.00 0.00 C ATOM 570 CD ARG A 39 -11.732 -2.570 -4.701 1.00 0.00 C ATOM 571 NE ARG A 39 -10.611 -1.661 -4.952 1.00 0.00 N ATOM 572 CZ ARG A 39 -10.746 -0.437 -5.460 1.00 0.00 C ATOM 573 NH1 ARG A 39 -11.949 0.033 -5.761 1.00 0.00 N ATOM 574 NH2 ARG A 39 -9.673 0.316 -5.671 1.00 0.00 N ATOM 0 H ARG A 39 -8.252 -5.903 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.585 -5.149 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.355 -3.831 -4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.459 -4.952 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.242 -4.313 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.140 -3.219 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.045 -3.024 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.581 -2.000 -4.324 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.671 -1.985 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.776 -0.543 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.048 0.971 -6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.746 -0.043 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.776 1.253 -6.060 1.00 0.00 H new ATOM 588 N ASP A 40 -10.782 -7.721 -3.832 1.00 0.00 N ATOM 589 CA ASP A 40 -11.763 -8.797 -3.732 1.00 0.00 C ATOM 590 C ASP A 40 -11.285 -9.865 -2.759 1.00 0.00 C ATOM 591 O ASP A 40 -12.050 -10.742 -2.365 1.00 0.00 O ATOM 592 CB ASP A 40 -12.071 -9.421 -5.100 1.00 0.00 C ATOM 593 CG ASP A 40 -10.905 -10.181 -5.699 1.00 0.00 C ATOM 594 OD1 ASP A 40 -10.769 -11.390 -5.425 1.00 0.00 O ATOM 595 OD2 ASP A 40 -10.139 -9.582 -6.478 1.00 0.00 O ATOM 0 H ASP A 40 -10.049 -7.874 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.688 -8.360 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.920 -10.097 -4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.372 -8.632 -5.790 1.00 0.00 H new ATOM 600 N LEU A 41 -10.018 -9.777 -2.365 1.00 0.00 N ATOM 601 CA LEU A 41 -9.477 -10.666 -1.346 1.00 0.00 C ATOM 602 C LEU A 41 -9.834 -10.125 0.027 1.00 0.00 C ATOM 603 O LEU A 41 -10.367 -10.840 0.873 1.00 0.00 O ATOM 604 CB LEU A 41 -7.955 -10.804 -1.482 1.00 0.00 C ATOM 605 CG LEU A 41 -7.473 -11.584 -2.706 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.955 -11.580 -2.781 1.00 0.00 C ATOM 607 CD2 LEU A 41 -7.981 -13.012 -2.662 1.00 0.00 C ATOM 0 H LEU A 41 -9.350 -9.101 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.912 -11.657 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.518 -9.806 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.570 -11.292 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.870 -11.095 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.633 -12.140 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.597 -10.553 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.545 -12.044 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.628 -13.551 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.610 -13.503 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.071 -13.010 -2.651 1.00 0.00 H new ATOM 619 N CYS A 42 -9.547 -8.849 0.233 1.00 0.00 N ATOM 620 CA CYS A 42 -9.912 -8.174 1.472 1.00 0.00 C ATOM 621 C CYS A 42 -10.603 -6.844 1.173 1.00 0.00 C ATOM 622 O CYS A 42 -9.947 -5.852 0.859 1.00 0.00 O ATOM 623 CB CYS A 42 -8.676 -7.946 2.349 1.00 0.00 C ATOM 624 SG CYS A 42 -7.841 -9.468 2.867 1.00 0.00 S ATOM 0 H CYS A 42 -9.062 -8.258 -0.442 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.607 -8.813 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.967 -7.324 1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.972 -7.387 3.237 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.810 -9.169 3.601 1.00 0.00 H new ATOM 630 N PRO A 43 -11.943 -6.812 1.249 1.00 0.00 N ATOM 631 CA PRO A 43 -12.731 -5.597 0.991 1.00 0.00 C ATOM 632 C PRO A 43 -12.368 -4.449 1.932 1.00 0.00 C ATOM 633 O PRO A 43 -12.351 -3.285 1.527 1.00 0.00 O ATOM 634 CB PRO A 43 -14.176 -6.048 1.228 1.00 0.00 C ATOM 635 CG PRO A 43 -14.145 -7.524 1.050 1.00 0.00 C ATOM 636 CD PRO A 43 -12.804 -7.965 1.557 1.00 0.00 C ATOM 0 HA PRO A 43 -12.551 -5.206 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.517 -5.777 2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.859 -5.578 0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.951 -8.003 1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.276 -7.795 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.826 -8.179 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.461 -8.871 1.057 1.00 0.00 H new ATOM 644 N ARG A 44 -12.066 -4.785 3.185 1.00 0.00 N ATOM 645 CA ARG A 44 -11.691 -3.783 4.185 1.00 0.00 C ATOM 646 C ARG A 44 -10.415 -3.048 3.781 1.00 0.00 C ATOM 647 O ARG A 44 -10.151 -1.933 4.238 1.00 0.00 O ATOM 648 CB ARG A 44 -11.492 -4.423 5.564 1.00 0.00 C ATOM 649 CG ARG A 44 -10.498 -5.574 5.578 1.00 0.00 C ATOM 650 CD ARG A 44 -10.026 -5.904 6.990 1.00 0.00 C ATOM 651 NE ARG A 44 -11.133 -6.055 7.937 1.00 0.00 N ATOM 652 CZ ARG A 44 -11.185 -6.990 8.885 1.00 0.00 C ATOM 653 NH1 ARG A 44 -10.229 -7.909 8.975 1.00 0.00 N ATOM 654 NH2 ARG A 44 -12.197 -7.005 9.743 1.00 0.00 N ATOM 0 H ARG A 44 -12.073 -5.744 3.533 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.510 -3.066 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.154 -3.657 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.454 -4.784 5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.959 -6.456 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.638 -5.318 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.444 -6.826 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.360 -5.115 7.339 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.914 -5.403 7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.450 -7.901 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.274 -8.622 9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.933 -6.302 9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.239 -7.720 10.470 1.00 0.00 H new ATOM 668 N LEU A 45 -9.631 -3.669 2.915 1.00 0.00 N ATOM 669 CA LEU A 45 -8.364 -3.100 2.487 1.00 0.00 C ATOM 670 C LEU A 45 -8.597 -1.856 1.634 1.00 0.00 C ATOM 671 O LEU A 45 -7.798 -0.927 1.655 1.00 0.00 O ATOM 672 CB LEU A 45 -7.562 -4.148 1.711 1.00 0.00 C ATOM 673 CG LEU A 45 -6.131 -3.754 1.348 1.00 0.00 C ATOM 674 CD1 LEU A 45 -5.306 -3.534 2.606 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.491 -4.820 0.469 1.00 0.00 C ATOM 0 H LEU A 45 -9.851 -4.571 2.493 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.793 -2.802 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.528 -5.063 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.099 -4.382 0.792 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.161 -2.820 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.289 -3.254 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.753 -2.737 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.283 -4.453 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.472 -4.523 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.472 -5.769 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.070 -4.932 -0.447 1.00 0.00 H new ATOM 687 N ALA A 46 -9.720 -1.830 0.926 1.00 0.00 N ATOM 688 CA ALA A 46 -10.055 -0.715 0.047 1.00 0.00 C ATOM 689 C ALA A 46 -10.797 0.390 0.798 1.00 0.00 C ATOM 690 O ALA A 46 -11.322 1.328 0.191 1.00 0.00 O ATOM 691 CB ALA A 46 -10.885 -1.205 -1.130 1.00 0.00 C ATOM 0 H ALA A 46 -10.418 -2.573 0.944 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.122 -0.292 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.129 -0.364 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.316 -1.945 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.806 -1.658 -0.762 1.00 0.00 H new ATOM 697 N GLU A 47 -10.836 0.288 2.119 1.00 0.00 N ATOM 698 CA GLU A 47 -11.529 1.279 2.933 1.00 0.00 C ATOM 699 C GLU A 47 -10.562 2.328 3.471 1.00 0.00 C ATOM 700 O GLU A 47 -10.871 3.033 4.430 1.00 0.00 O ATOM 701 CB GLU A 47 -12.257 0.601 4.095 1.00 0.00 C ATOM 702 CG GLU A 47 -13.351 -0.352 3.653 1.00 0.00 C ATOM 703 CD GLU A 47 -14.364 0.313 2.743 1.00 0.00 C ATOM 704 OE1 GLU A 47 -14.914 1.365 3.123 1.00 0.00 O ATOM 705 OE2 GLU A 47 -14.626 -0.224 1.648 1.00 0.00 O ATOM 0 H GLU A 47 -10.399 -0.466 2.649 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.258 1.780 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.532 0.054 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.692 1.367 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.903 -1.200 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.861 -0.748 4.531 1.00 0.00 H new ATOM 712 N VAL A 48 -9.396 2.439 2.854 1.00 0.00 N ATOM 713 CA VAL A 48 -8.412 3.414 3.289 1.00 0.00 C ATOM 714 C VAL A 48 -8.809 4.819 2.840 1.00 0.00 C ATOM 715 O VAL A 48 -9.098 5.048 1.665 1.00 0.00 O ATOM 716 CB VAL A 48 -7.004 3.086 2.747 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.980 4.092 3.252 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.590 1.675 3.133 1.00 0.00 C ATOM 0 H VAL A 48 -9.111 1.870 2.057 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.382 3.373 4.378 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.043 3.149 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.996 3.839 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.259 5.092 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.951 4.066 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.595 1.467 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.577 1.584 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.301 0.961 2.717 1.00 0.00 H new ATOM 728 N SER A 49 -8.844 5.748 3.782 1.00 0.00 N ATOM 729 CA SER A 49 -9.096 7.143 3.474 1.00 0.00 C ATOM 730 C SER A 49 -7.775 7.807 3.106 1.00 0.00 C ATOM 731 O SER A 49 -6.824 7.786 3.892 1.00 0.00 O ATOM 732 CB SER A 49 -9.732 7.840 4.680 1.00 0.00 C ATOM 733 OG SER A 49 -10.840 7.098 5.166 1.00 0.00 O ATOM 0 H SER A 49 -8.700 5.557 4.773 1.00 0.00 H new ATOM 0 HA SER A 49 -9.788 7.221 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.991 7.955 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.056 8.842 4.398 1.00 0.00 H new ATOM 0 HG SER A 49 -11.230 7.560 5.937 1.00 0.00 H new ATOM 739 N VAL A 50 -7.702 8.375 1.912 1.00 0.00 N ATOM 740 CA VAL A 50 -6.441 8.897 1.408 1.00 0.00 C ATOM 741 C VAL A 50 -6.371 10.408 1.557 1.00 0.00 C ATOM 742 O VAL A 50 -7.363 11.112 1.361 1.00 0.00 O ATOM 743 CB VAL A 50 -6.224 8.542 -0.077 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.751 8.289 -0.354 1.00 0.00 C ATOM 745 CG2 VAL A 50 -7.076 7.351 -0.485 1.00 0.00 C ATOM 0 H VAL A 50 -8.494 8.486 1.279 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.658 8.430 2.005 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.540 9.392 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.616 8.040 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.177 9.185 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.402 7.461 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.903 7.123 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.808 6.487 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.129 7.588 -0.334 1.00 0.00 H new ATOM 755 N GLU A 51 -5.197 10.892 1.921 1.00 0.00 N ATOM 756 CA GLU A 51 -4.939 12.315 2.010 1.00 0.00 C ATOM 757 C GLU A 51 -3.503 12.594 1.612 1.00 0.00 C ATOM 758 O GLU A 51 -2.574 11.951 2.094 1.00 0.00 O ATOM 759 CB GLU A 51 -5.202 12.809 3.427 1.00 0.00 C ATOM 760 CG GLU A 51 -4.893 14.280 3.656 1.00 0.00 C ATOM 761 CD GLU A 51 -5.213 14.711 5.069 1.00 0.00 C ATOM 762 OE1 GLU A 51 -4.423 14.400 5.989 1.00 0.00 O ATOM 763 OE2 GLU A 51 -6.262 15.347 5.278 1.00 0.00 O ATOM 0 H GLU A 51 -4.396 10.308 2.163 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.607 12.846 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.249 12.630 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.607 12.215 4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.839 14.466 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.466 14.885 2.954 1.00 0.00 H new ATOM 770 N LEU A 52 -3.325 13.538 0.721 1.00 0.00 N ATOM 771 CA LEU A 52 -1.995 13.895 0.262 1.00 0.00 C ATOM 772 C LEU A 52 -1.579 15.238 0.822 1.00 0.00 C ATOM 773 O LEU A 52 -2.275 16.243 0.671 1.00 0.00 O ATOM 774 CB LEU A 52 -1.920 13.908 -1.272 1.00 0.00 C ATOM 775 CG LEU A 52 -1.684 12.548 -1.945 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.878 11.616 -1.766 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.374 12.741 -3.419 1.00 0.00 C ATOM 0 H LEU A 52 -4.080 14.076 0.296 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.303 13.136 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.850 14.326 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.118 14.583 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.828 12.079 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.673 10.664 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.052 11.447 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.764 12.070 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.208 11.770 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.213 13.239 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.478 13.352 -3.525 1.00 0.00 H new ATOM 789 N ARG A 53 -0.437 15.223 1.476 1.00 0.00 N ATOM 790 CA ARG A 53 0.197 16.417 1.991 1.00 0.00 C ATOM 791 C ARG A 53 1.373 16.731 1.086 1.00 0.00 C ATOM 792 O ARG A 53 1.939 15.815 0.489 1.00 0.00 O ATOM 793 CB ARG A 53 0.676 16.163 3.424 1.00 0.00 C ATOM 794 CG ARG A 53 1.303 17.366 4.107 1.00 0.00 C ATOM 795 CD ARG A 53 1.887 16.990 5.462 1.00 0.00 C ATOM 796 NE ARG A 53 0.917 16.296 6.311 1.00 0.00 N ATOM 797 CZ ARG A 53 1.226 15.280 7.123 1.00 0.00 C ATOM 798 NH1 ARG A 53 2.484 14.879 7.257 1.00 0.00 N ATOM 799 NH2 ARG A 53 0.278 14.671 7.818 1.00 0.00 N ATOM 0 H ARG A 53 0.085 14.368 1.667 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.498 17.256 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.171 15.824 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.402 15.350 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.087 17.779 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.553 18.146 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.759 16.353 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.232 17.891 5.969 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.054 16.607 6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.227 15.347 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.708 14.103 7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.692 14.977 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.517 13.896 8.437 1.00 0.00 H new ATOM 813 N MET A 54 1.741 17.992 0.956 1.00 0.00 N ATOM 814 CA MET A 54 2.868 18.339 0.105 1.00 0.00 C ATOM 815 C MET A 54 4.151 17.752 0.686 1.00 0.00 C ATOM 816 O MET A 54 4.739 18.302 1.616 1.00 0.00 O ATOM 817 CB MET A 54 2.986 19.855 -0.068 1.00 0.00 C ATOM 818 CG MET A 54 3.984 20.262 -1.142 1.00 0.00 C ATOM 819 SD MET A 54 3.923 22.024 -1.521 1.00 0.00 S ATOM 820 CE MET A 54 5.153 22.129 -2.818 1.00 0.00 C ATOM 0 H MET A 54 1.288 18.780 1.418 1.00 0.00 H new ATOM 0 HA MET A 54 2.702 17.913 -0.884 1.00 0.00 H new ATOM 0 HB2 MET A 54 2.007 20.262 -0.319 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.283 20.300 0.882 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.990 20.000 -0.815 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.786 19.693 -2.050 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.234 23.161 -3.160 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.117 21.798 -2.433 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.858 21.492 -3.652 1.00 0.00 H new ATOM 830 N GLY A 55 4.542 16.598 0.162 1.00 0.00 N ATOM 831 CA GLY A 55 5.724 15.919 0.646 1.00 0.00 C ATOM 832 C GLY A 55 5.404 14.651 1.419 1.00 0.00 C ATOM 833 O GLY A 55 6.295 13.837 1.671 1.00 0.00 O ATOM 0 H GLY A 55 4.056 16.118 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.366 15.671 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.289 16.596 1.287 1.00 0.00 H new ATOM 837 N TYR A 56 4.136 14.456 1.784 1.00 0.00 N ATOM 838 CA TYR A 56 3.766 13.321 2.620 1.00 0.00 C ATOM 839 C TYR A 56 2.489 12.659 2.130 1.00 0.00 C ATOM 840 O TYR A 56 1.525 13.325 1.765 1.00 0.00 O ATOM 841 CB TYR A 56 3.586 13.753 4.079 1.00 0.00 C ATOM 842 CG TYR A 56 4.877 14.075 4.797 1.00 0.00 C ATOM 843 CD1 TYR A 56 5.604 13.076 5.432 1.00 0.00 C ATOM 844 CD2 TYR A 56 5.365 15.373 4.844 1.00 0.00 C ATOM 845 CE1 TYR A 56 6.781 13.363 6.096 1.00 0.00 C ATOM 846 CE2 TYR A 56 6.542 15.668 5.503 1.00 0.00 C ATOM 847 CZ TYR A 56 7.247 14.660 6.128 1.00 0.00 C ATOM 848 OH TYR A 56 8.417 14.951 6.791 1.00 0.00 O ATOM 0 H TYR A 56 3.360 15.062 1.517 1.00 0.00 H new ATOM 0 HA TYR A 56 4.580 12.599 2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.939 14.630 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.072 12.959 4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.243 12.058 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.815 16.165 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.333 12.575 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.909 16.683 5.529 1.00 0.00 H new ATOM 0 HH TYR A 56 8.605 15.910 6.717 1.00 0.00 H new ATOM 858 N LEU A 57 2.497 11.342 2.133 1.00 0.00 N ATOM 859 CA LEU A 57 1.329 10.563 1.772 1.00 0.00 C ATOM 860 C LEU A 57 0.647 10.072 3.041 1.00 0.00 C ATOM 861 O LEU A 57 1.171 9.209 3.742 1.00 0.00 O ATOM 862 CB LEU A 57 1.755 9.391 0.887 1.00 0.00 C ATOM 863 CG LEU A 57 0.626 8.521 0.340 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.365 9.361 -0.451 1.00 0.00 C ATOM 865 CD2 LEU A 57 1.201 7.421 -0.533 1.00 0.00 C ATOM 0 H LEU A 57 3.311 10.782 2.385 1.00 0.00 H new ATOM 0 HA LEU A 57 0.622 11.176 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.324 9.785 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.431 8.756 1.459 1.00 0.00 H new ATOM 0 HG LEU A 57 0.095 8.069 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.161 8.722 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.793 10.126 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.148 9.838 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.391 6.803 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.748 7.865 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.877 6.803 0.058 1.00 0.00 H new ATOM 877 N VAL A 58 -0.506 10.646 3.345 1.00 0.00 N ATOM 878 CA VAL A 58 -1.178 10.382 4.607 1.00 0.00 C ATOM 879 C VAL A 58 -2.333 9.406 4.425 1.00 0.00 C ATOM 880 O VAL A 58 -3.344 9.725 3.798 1.00 0.00 O ATOM 881 CB VAL A 58 -1.712 11.683 5.236 1.00 0.00 C ATOM 882 CG1 VAL A 58 -2.271 11.424 6.627 1.00 0.00 C ATOM 883 CG2 VAL A 58 -0.625 12.741 5.283 1.00 0.00 C ATOM 0 H VAL A 58 -0.997 11.299 2.734 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.438 9.939 5.274 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.523 12.054 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.642 12.358 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.088 10.705 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.484 11.023 7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.023 13.652 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.211 12.378 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.281 12.954 4.271 1.00 0.00 H new ATOM 893 N LEU A 59 -2.171 8.216 4.966 1.00 0.00 N ATOM 894 CA LEU A 59 -3.216 7.205 4.933 1.00 0.00 C ATOM 895 C LEU A 59 -3.984 7.203 6.248 1.00 0.00 C ATOM 896 O LEU A 59 -3.395 7.366 7.304 1.00 0.00 O ATOM 897 CB LEU A 59 -2.600 5.827 4.675 1.00 0.00 C ATOM 898 CG LEU A 59 -2.506 5.404 3.204 1.00 0.00 C ATOM 899 CD1 LEU A 59 -1.791 6.459 2.372 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.792 4.066 3.084 1.00 0.00 C ATOM 0 H LEU A 59 -1.317 7.920 5.439 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.910 7.437 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.598 5.812 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.187 5.081 5.211 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.520 5.301 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.740 6.131 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.339 7.400 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.782 6.603 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.733 3.778 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.786 4.152 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.345 3.307 3.637 1.00 0.00 H new ATOM 912 N LYS A 60 -5.294 7.041 6.179 1.00 0.00 N ATOM 913 CA LYS A 60 -6.126 6.960 7.379 1.00 0.00 C ATOM 914 C LYS A 60 -7.012 5.728 7.266 1.00 0.00 C ATOM 915 O LYS A 60 -7.602 5.495 6.211 1.00 0.00 O ATOM 916 CB LYS A 60 -7.010 8.210 7.518 1.00 0.00 C ATOM 917 CG LYS A 60 -6.284 9.531 7.299 1.00 0.00 C ATOM 918 CD LYS A 60 -7.270 10.691 7.243 1.00 0.00 C ATOM 919 CE LYS A 60 -6.641 11.953 6.667 1.00 0.00 C ATOM 920 NZ LYS A 60 -5.700 12.614 7.611 1.00 0.00 N ATOM 0 H LYS A 60 -5.811 6.962 5.303 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.484 6.896 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.830 8.139 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.454 8.216 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.569 9.695 8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.714 9.488 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.130 10.406 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.642 10.898 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.110 11.702 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.430 12.655 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.018 13.189 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.233 13.226 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.190 11.890 8.157 1.00 0.00 H new ATOM 934 N ALA A 61 -7.112 4.922 8.314 1.00 0.00 N ATOM 935 CA ALA A 61 -7.905 3.695 8.191 1.00 0.00 C ATOM 936 C ALA A 61 -9.039 3.607 9.206 1.00 0.00 C ATOM 937 O ALA A 61 -8.942 4.125 10.311 1.00 0.00 O ATOM 938 CB ALA A 61 -7.014 2.471 8.308 1.00 0.00 C ATOM 0 H ALA A 61 -6.677 5.079 9.223 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.364 3.727 7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.620 1.570 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.265 2.489 7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.516 2.475 9.278 1.00 0.00 H new ATOM 944 N PRO A 62 -10.148 2.954 8.835 1.00 0.00 N ATOM 945 CA PRO A 62 -11.200 2.597 9.786 1.00 0.00 C ATOM 946 C PRO A 62 -10.684 1.584 10.804 1.00 0.00 C ATOM 947 O PRO A 62 -10.815 0.373 10.617 1.00 0.00 O ATOM 948 CB PRO A 62 -12.302 1.977 8.920 1.00 0.00 C ATOM 949 CG PRO A 62 -11.981 2.390 7.524 1.00 0.00 C ATOM 950 CD PRO A 62 -10.489 2.542 7.466 1.00 0.00 C ATOM 0 HA PRO A 62 -11.553 3.456 10.357 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.315 0.891 9.016 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.287 2.335 9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.324 1.643 6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.478 3.326 7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.998 1.608 7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.187 3.289 6.732 1.00 0.00 H new ATOM 958 N GLY A 63 -10.055 2.094 11.853 1.00 0.00 N ATOM 959 CA GLY A 63 -9.443 1.238 12.847 1.00 0.00 C ATOM 960 C GLY A 63 -8.005 1.637 13.126 1.00 0.00 C ATOM 961 O GLY A 63 -7.484 1.400 14.216 1.00 0.00 O ATOM 0 H GLY A 63 -9.958 3.093 12.034 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.019 1.285 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.473 0.204 12.504 1.00 0.00 H new ATOM 965 N MET A 64 -7.363 2.252 12.138 1.00 0.00 N ATOM 966 CA MET A 64 -5.997 2.737 12.300 1.00 0.00 C ATOM 967 C MET A 64 -5.974 4.243 12.142 1.00 0.00 C ATOM 968 O MET A 64 -6.823 4.816 11.467 1.00 0.00 O ATOM 969 CB MET A 64 -5.030 2.118 11.277 1.00 0.00 C ATOM 970 CG MET A 64 -4.894 0.603 11.350 1.00 0.00 C ATOM 971 SD MET A 64 -4.365 0.025 12.976 1.00 0.00 S ATOM 972 CE MET A 64 -2.758 0.811 13.108 1.00 0.00 C ATOM 0 H MET A 64 -7.766 2.426 11.217 1.00 0.00 H new ATOM 0 HA MET A 64 -5.666 2.444 13.296 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.363 2.389 10.275 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.045 2.563 11.417 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.851 0.145 11.100 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.176 0.271 10.600 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.193 0.351 13.919 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.215 0.687 12.171 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.888 1.873 13.314 1.00 0.00 H new ATOM 982 N LEU A 65 -5.002 4.886 12.746 1.00 0.00 N ATOM 983 CA LEU A 65 -4.875 6.326 12.633 1.00 0.00 C ATOM 984 C LEU A 65 -4.278 6.682 11.268 1.00 0.00 C ATOM 985 O LEU A 65 -4.605 6.049 10.247 1.00 0.00 O ATOM 986 CB LEU A 65 -4.023 6.885 13.791 1.00 0.00 C ATOM 987 CG LEU A 65 -4.667 6.829 15.187 1.00 0.00 C ATOM 988 CD1 LEU A 65 -6.051 7.458 15.168 1.00 0.00 C ATOM 989 CD2 LEU A 65 -4.734 5.404 15.715 1.00 0.00 C ATOM 0 H LEU A 65 -4.287 4.439 13.320 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.861 6.785 12.705 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.083 6.334 13.823 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.777 7.923 13.567 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.034 7.404 15.863 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.487 7.407 16.166 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.973 8.500 14.859 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.686 6.918 14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.195 5.403 16.703 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.329 4.792 15.037 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.726 4.994 15.784 1.00 0.00 H new ATOM 1001 N ARG A 66 -3.456 7.723 11.247 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.759 8.133 10.045 1.00 0.00 C ATOM 1003 C ARG A 66 -1.483 7.323 9.846 1.00 0.00 C ATOM 1004 O ARG A 66 -0.854 6.874 10.806 1.00 0.00 O ATOM 1005 CB ARG A 66 -2.392 9.615 10.129 1.00 0.00 C ATOM 1006 CG ARG A 66 -1.578 9.953 11.366 1.00 0.00 C ATOM 1007 CD ARG A 66 -1.020 11.366 11.330 1.00 0.00 C ATOM 1008 NE ARG A 66 -0.307 11.672 12.569 1.00 0.00 N ATOM 1009 CZ ARG A 66 0.982 11.402 12.774 1.00 0.00 C ATOM 1010 NH1 ARG A 66 1.748 10.982 11.778 1.00 0.00 N ATOM 1011 NH2 ARG A 66 1.521 11.589 13.972 1.00 0.00 N ATOM 0 H ARG A 66 -3.257 8.302 12.063 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.426 7.960 9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.826 9.895 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.305 10.211 10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.203 9.836 12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.756 9.244 11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.346 11.474 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.832 12.079 11.186 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.828 12.120 13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.352 10.863 10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.733 10.778 11.944 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.949 11.940 14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.508 11.381 14.125 1.00 0.00 H new ATOM 1025 N LEU A 67 -1.124 7.141 8.592 1.00 0.00 N ATOM 1026 CA LEU A 67 0.156 6.576 8.221 1.00 0.00 C ATOM 1027 C LEU A 67 0.888 7.571 7.338 1.00 0.00 C ATOM 1028 O LEU A 67 0.551 7.739 6.167 1.00 0.00 O ATOM 1029 CB LEU A 67 -0.027 5.245 7.486 1.00 0.00 C ATOM 1030 CG LEU A 67 1.256 4.627 6.924 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.226 4.271 8.044 1.00 0.00 C ATOM 1032 CD2 LEU A 67 0.932 3.402 6.087 1.00 0.00 C ATOM 0 H LEU A 67 -1.716 7.382 7.797 1.00 0.00 H new ATOM 0 HA LEU A 67 0.739 6.379 9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.485 4.531 8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.728 5.395 6.665 1.00 0.00 H new ATOM 0 HG LEU A 67 1.738 5.366 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.129 3.834 7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.486 5.172 8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.757 3.552 8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.855 2.975 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.424 2.662 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.284 3.688 5.258 1.00 0.00 H new ATOM 1044 N ASP A 68 1.854 8.262 7.923 1.00 0.00 N ATOM 1045 CA ASP A 68 2.626 9.263 7.203 1.00 0.00 C ATOM 1046 C ASP A 68 3.722 8.610 6.385 1.00 0.00 C ATOM 1047 O ASP A 68 4.757 8.215 6.923 1.00 0.00 O ATOM 1048 CB ASP A 68 3.247 10.274 8.173 1.00 0.00 C ATOM 1049 CG ASP A 68 2.271 11.340 8.629 1.00 0.00 C ATOM 1050 OD1 ASP A 68 1.215 10.988 9.192 1.00 0.00 O ATOM 1051 OD2 ASP A 68 2.572 12.538 8.438 1.00 0.00 O ATOM 0 H ASP A 68 2.123 8.147 8.900 1.00 0.00 H new ATOM 0 HA ASP A 68 1.945 9.787 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.629 9.744 9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.100 10.753 7.692 1.00 0.00 H new ATOM 1056 N ILE A 69 3.481 8.472 5.093 1.00 0.00 N ATOM 1057 CA ILE A 69 4.481 7.938 4.187 1.00 0.00 C ATOM 1058 C ILE A 69 5.163 9.076 3.437 1.00 0.00 C ATOM 1059 O ILE A 69 4.571 9.692 2.551 1.00 0.00 O ATOM 1060 CB ILE A 69 3.865 6.954 3.165 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.136 5.814 3.886 1.00 0.00 C ATOM 1062 CG2 ILE A 69 4.947 6.398 2.248 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.445 4.843 2.952 1.00 0.00 C ATOM 0 H ILE A 69 2.599 8.723 4.647 1.00 0.00 H new ATOM 0 HA ILE A 69 5.209 7.394 4.788 1.00 0.00 H new ATOM 0 HB ILE A 69 3.139 7.496 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.853 5.267 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.397 6.240 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.499 5.707 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.424 7.217 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.693 5.872 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.952 4.065 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.703 5.376 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.182 4.388 2.290 1.00 0.00 H new ATOM 1075 N PRO A 70 6.403 9.409 3.804 1.00 0.00 N ATOM 1076 CA PRO A 70 7.173 10.425 3.101 1.00 0.00 C ATOM 1077 C PRO A 70 7.546 9.952 1.701 1.00 0.00 C ATOM 1078 O PRO A 70 8.147 8.891 1.545 1.00 0.00 O ATOM 1079 CB PRO A 70 8.425 10.608 3.970 1.00 0.00 C ATOM 1080 CG PRO A 70 8.121 9.923 5.262 1.00 0.00 C ATOM 1081 CD PRO A 70 7.151 8.831 4.926 1.00 0.00 C ATOM 0 HA PRO A 70 6.618 11.353 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.302 10.171 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.641 11.665 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.027 9.517 5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.692 10.619 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.659 7.909 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.501 8.592 5.768 1.00 0.00 H new ATOM 1089 N LEU A 71 7.193 10.751 0.697 1.00 0.00 N ATOM 1090 CA LEU A 71 7.346 10.362 -0.707 1.00 0.00 C ATOM 1091 C LEU A 71 8.766 9.888 -1.018 1.00 0.00 C ATOM 1092 O LEU A 71 8.953 8.849 -1.646 1.00 0.00 O ATOM 1093 CB LEU A 71 6.971 11.534 -1.617 1.00 0.00 C ATOM 1094 CG LEU A 71 5.537 12.045 -1.457 1.00 0.00 C ATOM 1095 CD1 LEU A 71 5.294 13.249 -2.349 1.00 0.00 C ATOM 1096 CD2 LEU A 71 4.536 10.943 -1.772 1.00 0.00 C ATOM 0 H LEU A 71 6.795 11.681 0.830 1.00 0.00 H new ATOM 0 HA LEU A 71 6.674 9.525 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.658 12.358 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.119 11.231 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 71 5.400 12.351 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.269 13.596 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.985 14.048 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.454 12.969 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.523 11.327 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.677 10.606 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.690 10.106 -1.091 1.00 0.00 H new ATOM 1217 N VAL A 80 15.707 -0.647 -1.565 1.00 0.00 N ATOM 1218 CA VAL A 80 15.345 -1.870 -0.861 1.00 0.00 C ATOM 1219 C VAL A 80 14.533 -2.759 -1.791 1.00 0.00 C ATOM 1220 O VAL A 80 13.332 -2.563 -1.973 1.00 0.00 O ATOM 1221 CB VAL A 80 14.534 -1.592 0.425 1.00 0.00 C ATOM 1222 CG1 VAL A 80 14.235 -2.889 1.171 1.00 0.00 C ATOM 1223 CG2 VAL A 80 15.273 -0.612 1.326 1.00 0.00 C ATOM 0 HA VAL A 80 16.268 -2.366 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 80 13.585 -1.142 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.663 -2.667 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.656 -3.553 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.171 -3.375 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.685 -0.430 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.240 -1.031 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.424 0.328 0.795 1.00 0.00 H new ATOM 1233 N ARG A 81 15.202 -3.729 -2.387 1.00 0.00 N ATOM 1234 CA ARG A 81 14.578 -4.581 -3.377 1.00 0.00 C ATOM 1235 C ARG A 81 14.112 -5.879 -2.755 1.00 0.00 C ATOM 1236 O ARG A 81 14.913 -6.691 -2.293 1.00 0.00 O ATOM 1237 CB ARG A 81 15.540 -4.852 -4.528 1.00 0.00 C ATOM 1238 CG ARG A 81 15.806 -3.628 -5.385 1.00 0.00 C ATOM 1239 CD ARG A 81 16.808 -3.926 -6.482 1.00 0.00 C ATOM 1240 NE ARG A 81 16.383 -5.041 -7.323 1.00 0.00 N ATOM 1241 CZ ARG A 81 17.209 -5.755 -8.080 1.00 0.00 C ATOM 1242 NH1 ARG A 81 18.497 -5.440 -8.144 1.00 0.00 N ATOM 1243 NH2 ARG A 81 16.739 -6.773 -8.787 1.00 0.00 N ATOM 0 H ARG A 81 16.181 -3.945 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 81 13.704 -4.063 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.484 -5.218 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.132 -5.645 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.872 -3.283 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.180 -2.818 -4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.945 -3.038 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.776 -4.156 -6.036 1.00 0.00 H new ATOM 0 HE ARG A 81 15.393 -5.286 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.855 -4.648 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.128 -5.990 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.747 -7.006 -8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.370 -7.324 -9.369 1.00 0.00 H new ATOM 1257 N TYR A 82 12.810 -6.055 -2.734 1.00 0.00 N ATOM 1258 CA TYR A 82 12.204 -7.236 -2.169 1.00 0.00 C ATOM 1259 C TYR A 82 11.570 -8.043 -3.291 1.00 0.00 C ATOM 1260 O TYR A 82 10.706 -7.541 -4.009 1.00 0.00 O ATOM 1261 CB TYR A 82 11.146 -6.828 -1.142 1.00 0.00 C ATOM 1262 CG TYR A 82 10.907 -7.858 -0.065 1.00 0.00 C ATOM 1263 CD1 TYR A 82 10.030 -8.916 -0.257 1.00 0.00 C ATOM 1264 CD2 TYR A 82 11.566 -7.765 1.154 1.00 0.00 C ATOM 1265 CE1 TYR A 82 9.817 -9.854 0.736 1.00 0.00 C ATOM 1266 CE2 TYR A 82 11.361 -8.695 2.150 1.00 0.00 C ATOM 1267 CZ TYR A 82 10.486 -9.739 1.937 1.00 0.00 C ATOM 1268 OH TYR A 82 10.275 -10.672 2.927 1.00 0.00 O ATOM 0 H TYR A 82 12.142 -5.382 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 82 12.958 -7.843 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.451 -5.892 -0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.207 -6.634 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.506 -9.008 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.252 -6.948 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.131 -10.672 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.883 -8.607 3.092 1.00 0.00 H new ATOM 0 HH TYR A 82 10.822 -10.449 3.709 1.00 0.00 H new ATOM 1278 N GLN A 83 12.012 -9.271 -3.470 1.00 0.00 N ATOM 1279 CA GLN A 83 11.461 -10.102 -4.523 1.00 0.00 C ATOM 1280 C GLN A 83 10.122 -10.680 -4.100 1.00 0.00 C ATOM 1281 O GLN A 83 10.022 -11.420 -3.121 1.00 0.00 O ATOM 1282 CB GLN A 83 12.440 -11.200 -4.920 1.00 0.00 C ATOM 1283 CG GLN A 83 13.623 -10.671 -5.716 1.00 0.00 C ATOM 1284 CD GLN A 83 14.559 -11.765 -6.172 1.00 0.00 C ATOM 1285 OE1 GLN A 83 15.523 -12.100 -5.484 1.00 0.00 O ATOM 1286 NE2 GLN A 83 14.282 -12.326 -7.336 1.00 0.00 N ATOM 0 H GLN A 83 12.741 -9.712 -2.909 1.00 0.00 H new ATOM 0 HA GLN A 83 11.295 -9.478 -5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 83 12.805 -11.698 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.917 -11.952 -5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.255 -10.128 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.176 -9.957 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 83 13.472 -12.015 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 83 14.879 -13.070 -7.699 1.00 0.00 H new ATOM 1295 N MET A 84 9.097 -10.317 -4.845 1.00 0.00 N ATOM 1296 CA MET A 84 7.737 -10.710 -4.542 1.00 0.00 C ATOM 1297 C MET A 84 7.360 -11.916 -5.392 1.00 0.00 C ATOM 1298 O MET A 84 7.984 -12.166 -6.424 1.00 0.00 O ATOM 1299 CB MET A 84 6.801 -9.534 -4.822 1.00 0.00 C ATOM 1300 CG MET A 84 5.363 -9.775 -4.415 1.00 0.00 C ATOM 1301 SD MET A 84 4.270 -8.446 -4.936 1.00 0.00 S ATOM 1302 CE MET A 84 4.863 -7.077 -3.955 1.00 0.00 C ATOM 0 H MET A 84 9.185 -9.739 -5.681 1.00 0.00 H new ATOM 0 HA MET A 84 7.649 -10.985 -3.491 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.173 -8.655 -4.296 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.832 -9.305 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.019 -10.715 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.308 -9.883 -3.332 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.027 -6.619 -3.427 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.595 -7.437 -3.232 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.329 -6.338 -4.606 1.00 0.00 H new ATOM 1312 N LEU A 85 6.343 -12.655 -4.981 1.00 0.00 N ATOM 1313 CA LEU A 85 5.975 -13.865 -5.680 1.00 0.00 C ATOM 1314 C LEU A 85 4.466 -13.936 -5.852 1.00 0.00 C ATOM 1315 O LEU A 85 3.756 -14.494 -5.017 1.00 0.00 O ATOM 1316 CB LEU A 85 6.473 -15.093 -4.921 1.00 0.00 C ATOM 1317 CG LEU A 85 6.444 -16.394 -5.719 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.585 -16.433 -6.720 1.00 0.00 C ATOM 1319 CD2 LEU A 85 6.501 -17.586 -4.788 1.00 0.00 C ATOM 0 H LEU A 85 5.763 -12.436 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 85 6.442 -13.850 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.495 -14.909 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.866 -15.219 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 85 5.507 -16.439 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.547 -17.368 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.493 -15.594 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.536 -16.365 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.479 -18.506 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.421 -17.548 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.644 -17.564 -4.115 1.00 0.00 H new ATOM 1331 N VAL A 86 3.984 -13.339 -6.925 1.00 0.00 N ATOM 1332 CA VAL A 86 2.556 -13.315 -7.217 1.00 0.00 C ATOM 1333 C VAL A 86 2.111 -14.700 -7.658 1.00 0.00 C ATOM 1334 O VAL A 86 2.178 -15.033 -8.841 1.00 0.00 O ATOM 1335 CB VAL A 86 2.201 -12.304 -8.327 1.00 0.00 C ATOM 1336 CG1 VAL A 86 0.844 -11.680 -8.066 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.265 -11.229 -8.461 1.00 0.00 C ATOM 0 H VAL A 86 4.562 -12.860 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 86 2.042 -13.009 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 86 2.159 -12.849 -9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.611 -10.970 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.083 -12.460 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.861 -11.161 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.983 -10.534 -9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.357 -10.689 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.220 -11.692 -8.709 1.00 0.00 H new ATOM 1347 N GLY A 87 1.694 -15.512 -6.700 1.00 0.00 N ATOM 1348 CA GLY A 87 1.444 -16.911 -6.973 1.00 0.00 C ATOM 1349 C GLY A 87 2.755 -17.653 -7.111 1.00 0.00 C ATOM 1350 O GLY A 87 3.174 -18.372 -6.204 1.00 0.00 O ATOM 0 H GLY A 87 1.524 -15.226 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.853 -17.347 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.861 -17.013 -7.888 1.00 0.00 H new ATOM 1354 N GLU A 88 3.409 -17.454 -8.245 1.00 0.00 N ATOM 1355 CA GLU A 88 4.758 -17.948 -8.453 1.00 0.00 C ATOM 1356 C GLU A 88 5.497 -17.061 -9.450 1.00 0.00 C ATOM 1357 O GLU A 88 6.520 -17.454 -10.013 1.00 0.00 O ATOM 1358 CB GLU A 88 4.749 -19.401 -8.925 1.00 0.00 C ATOM 1359 CG GLU A 88 3.905 -19.657 -10.160 1.00 0.00 C ATOM 1360 CD GLU A 88 4.070 -21.071 -10.667 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.404 -21.983 -10.130 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.892 -21.279 -11.583 1.00 0.00 O ATOM 0 H GLU A 88 3.021 -16.949 -9.041 1.00 0.00 H new ATOM 0 HA GLU A 88 5.283 -17.914 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.774 -19.709 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.384 -20.031 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.856 -19.474 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.185 -18.954 -10.944 1.00 0.00 H new ATOM 1369 N GLN A 89 4.987 -15.848 -9.643 1.00 0.00 N ATOM 1370 CA GLN A 89 5.614 -14.894 -10.539 1.00 0.00 C ATOM 1371 C GLN A 89 6.581 -14.029 -9.743 1.00 0.00 C ATOM 1372 O GLN A 89 6.164 -13.192 -8.940 1.00 0.00 O ATOM 1373 CB GLN A 89 4.550 -14.040 -11.245 1.00 0.00 C ATOM 1374 CG GLN A 89 5.114 -13.037 -12.245 1.00 0.00 C ATOM 1375 CD GLN A 89 4.093 -12.626 -13.294 1.00 0.00 C ATOM 1376 OE1 GLN A 89 3.988 -13.258 -14.344 1.00 0.00 O ATOM 1377 NE2 GLN A 89 3.345 -11.562 -13.034 1.00 0.00 N ATOM 0 H GLN A 89 4.140 -15.507 -9.188 1.00 0.00 H new ATOM 0 HA GLN A 89 6.170 -15.424 -11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.855 -14.701 -11.763 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.975 -13.501 -10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.459 -12.151 -11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.984 -13.471 -12.739 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.459 -11.062 -12.152 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.656 -11.244 -13.716 1.00 0.00 H new ATOM 1386 N THR A 90 7.868 -14.269 -9.943 1.00 0.00 N ATOM 1387 CA THR A 90 8.903 -13.592 -9.183 1.00 0.00 C ATOM 1388 C THR A 90 9.149 -12.203 -9.756 1.00 0.00 C ATOM 1389 O THR A 90 9.700 -12.053 -10.851 1.00 0.00 O ATOM 1390 CB THR A 90 10.211 -14.405 -9.199 1.00 0.00 C ATOM 1391 OG1 THR A 90 9.905 -15.804 -9.082 1.00 0.00 O ATOM 1392 CG2 THR A 90 11.121 -13.993 -8.052 1.00 0.00 C ATOM 0 H THR A 90 8.221 -14.934 -10.632 1.00 0.00 H new ATOM 0 HA THR A 90 8.565 -13.499 -8.151 1.00 0.00 H new ATOM 0 HB THR A 90 10.727 -14.211 -10.139 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.736 -16.323 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.038 -14.582 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.366 -12.935 -8.144 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.613 -14.167 -7.104 1.00 0.00 H new ATOM 1400 N VAL A 91 8.724 -11.191 -9.019 1.00 0.00 N ATOM 1401 CA VAL A 91 8.794 -9.821 -9.495 1.00 0.00 C ATOM 1402 C VAL A 91 9.573 -8.932 -8.529 1.00 0.00 C ATOM 1403 O VAL A 91 9.611 -9.180 -7.323 1.00 0.00 O ATOM 1404 CB VAL A 91 7.386 -9.238 -9.745 1.00 0.00 C ATOM 1405 CG1 VAL A 91 6.796 -9.826 -11.019 1.00 0.00 C ATOM 1406 CG2 VAL A 91 6.467 -9.513 -8.562 1.00 0.00 C ATOM 0 H VAL A 91 8.326 -11.293 -8.086 1.00 0.00 H new ATOM 0 HA VAL A 91 9.329 -9.840 -10.445 1.00 0.00 H new ATOM 0 HB VAL A 91 7.477 -8.158 -9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.803 -9.409 -11.187 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.439 -9.582 -11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.722 -10.909 -10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.481 -9.093 -8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.379 -10.589 -8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.882 -9.054 -7.665 1.00 0.00 H new ATOM 1416 N ASP A 92 10.186 -7.897 -9.080 1.00 0.00 N ATOM 1417 CA ASP A 92 11.069 -7.010 -8.331 1.00 0.00 C ATOM 1418 C ASP A 92 10.298 -5.803 -7.810 1.00 0.00 C ATOM 1419 O ASP A 92 9.822 -4.977 -8.589 1.00 0.00 O ATOM 1420 CB ASP A 92 12.216 -6.567 -9.248 1.00 0.00 C ATOM 1421 CG ASP A 92 13.217 -5.639 -8.587 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.934 -6.089 -7.670 1.00 0.00 O ATOM 1423 OD2 ASP A 92 13.335 -4.472 -9.030 1.00 0.00 O ATOM 0 H ASP A 92 10.086 -7.645 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 92 11.476 -7.539 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.741 -7.452 -9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.796 -6.068 -10.121 1.00 0.00 H new ATOM 1428 N VAL A 93 10.148 -5.713 -6.494 1.00 0.00 N ATOM 1429 CA VAL A 93 9.414 -4.608 -5.885 1.00 0.00 C ATOM 1430 C VAL A 93 10.218 -3.997 -4.744 1.00 0.00 C ATOM 1431 O VAL A 93 11.070 -4.654 -4.153 1.00 0.00 O ATOM 1432 CB VAL A 93 8.023 -5.040 -5.357 1.00 0.00 C ATOM 1433 CG1 VAL A 93 7.215 -5.724 -6.449 1.00 0.00 C ATOM 1434 CG2 VAL A 93 8.149 -5.941 -4.139 1.00 0.00 C ATOM 0 H VAL A 93 10.523 -6.389 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 93 9.259 -3.867 -6.670 1.00 0.00 H new ATOM 0 HB VAL A 93 7.492 -4.138 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.243 -6.017 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.074 -5.036 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.748 -6.610 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.155 -6.226 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.711 -6.836 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.671 -5.408 -3.344 1.00 0.00 H new ATOM 1444 N VAL A 94 9.968 -2.734 -4.456 1.00 0.00 N ATOM 1445 CA VAL A 94 10.677 -2.044 -3.393 1.00 0.00 C ATOM 1446 C VAL A 94 9.810 -1.955 -2.138 1.00 0.00 C ATOM 1447 O VAL A 94 8.615 -1.663 -2.224 1.00 0.00 O ATOM 1448 CB VAL A 94 11.097 -0.626 -3.841 1.00 0.00 C ATOM 1449 CG1 VAL A 94 11.778 0.135 -2.710 1.00 0.00 C ATOM 1450 CG2 VAL A 94 12.010 -0.707 -5.054 1.00 0.00 C ATOM 0 H VAL A 94 9.278 -2.163 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 94 11.575 -2.618 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 94 10.195 -0.078 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.061 1.128 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.091 0.227 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.670 -0.406 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.299 0.299 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.902 -1.279 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.484 -1.198 -5.873 1.00 0.00 H new ATOM 1460 N ASP A 95 10.406 -2.238 -0.984 1.00 0.00 N ATOM 1461 CA ASP A 95 9.708 -2.099 0.293 1.00 0.00 C ATOM 1462 C ASP A 95 9.719 -0.638 0.712 1.00 0.00 C ATOM 1463 O ASP A 95 10.745 0.036 0.599 1.00 0.00 O ATOM 1464 CB ASP A 95 10.360 -2.962 1.380 1.00 0.00 C ATOM 1465 CG ASP A 95 9.635 -2.868 2.716 1.00 0.00 C ATOM 1466 OD1 ASP A 95 9.977 -1.974 3.522 1.00 0.00 O ATOM 1467 OD2 ASP A 95 8.725 -3.689 2.959 1.00 0.00 O ATOM 0 H ASP A 95 11.369 -2.565 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 95 8.681 -2.441 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.376 -4.001 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.397 -2.653 1.511 1.00 0.00 H new ATOM 1472 N GLU A 96 8.582 -0.145 1.180 1.00 0.00 N ATOM 1473 CA GLU A 96 8.441 1.273 1.459 1.00 0.00 C ATOM 1474 C GLU A 96 8.439 1.557 2.966 1.00 0.00 C ATOM 1475 O GLU A 96 8.160 2.676 3.400 1.00 0.00 O ATOM 1476 CB GLU A 96 7.170 1.803 0.783 1.00 0.00 C ATOM 1477 CG GLU A 96 7.102 3.320 0.693 1.00 0.00 C ATOM 1478 CD GLU A 96 6.041 3.796 -0.275 1.00 0.00 C ATOM 1479 OE1 GLU A 96 4.869 3.400 -0.115 1.00 0.00 O ATOM 1480 OE2 GLU A 96 6.389 4.554 -1.215 1.00 0.00 O ATOM 0 H GLU A 96 7.750 -0.703 1.373 1.00 0.00 H new ATOM 0 HA GLU A 96 9.303 1.798 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.105 1.387 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.301 1.443 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.898 3.731 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.073 3.706 0.382 1.00 0.00 H new ATOM 1487 N GLY A 97 8.771 0.558 3.772 1.00 0.00 N ATOM 1488 CA GLY A 97 8.910 0.806 5.190 1.00 0.00 C ATOM 1489 C GLY A 97 8.130 -0.151 6.070 1.00 0.00 C ATOM 1490 O GLY A 97 6.956 -0.449 5.819 1.00 0.00 O ATOM 0 H GLY A 97 8.944 -0.403 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.966 0.747 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.584 1.824 5.403 1.00 0.00 H new ATOM 1494 N GLU A 98 8.790 -0.595 7.132 1.00 0.00 N ATOM 1495 CA GLU A 98 8.194 -1.474 8.132 1.00 0.00 C ATOM 1496 C GLU A 98 7.010 -0.789 8.818 1.00 0.00 C ATOM 1497 O GLU A 98 6.095 -1.449 9.317 1.00 0.00 O ATOM 1498 CB GLU A 98 9.267 -1.844 9.154 1.00 0.00 C ATOM 1499 CG GLU A 98 8.779 -2.690 10.316 1.00 0.00 C ATOM 1500 CD GLU A 98 9.884 -2.959 11.315 1.00 0.00 C ATOM 1501 OE1 GLU A 98 10.459 -1.985 11.848 1.00 0.00 O ATOM 1502 OE2 GLU A 98 10.182 -4.142 11.576 1.00 0.00 O ATOM 0 H GLU A 98 9.762 -0.354 7.326 1.00 0.00 H new ATOM 0 HA GLU A 98 7.817 -2.376 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.065 -2.382 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.703 -0.927 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.953 -2.182 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.390 -3.636 9.939 1.00 0.00 H new ATOM 1509 N LEU A 99 7.028 0.540 8.819 1.00 0.00 N ATOM 1510 CA LEU A 99 5.947 1.326 9.396 1.00 0.00 C ATOM 1511 C LEU A 99 4.644 1.057 8.645 1.00 0.00 C ATOM 1512 O LEU A 99 3.597 0.831 9.252 1.00 0.00 O ATOM 1513 CB LEU A 99 6.290 2.820 9.338 1.00 0.00 C ATOM 1514 CG LEU A 99 5.269 3.754 9.991 1.00 0.00 C ATOM 1515 CD1 LEU A 99 5.157 3.467 11.480 1.00 0.00 C ATOM 1516 CD2 LEU A 99 5.649 5.208 9.755 1.00 0.00 C ATOM 0 H LEU A 99 7.786 1.097 8.423 1.00 0.00 H new ATOM 0 HA LEU A 99 5.819 1.035 10.439 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.256 2.972 9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.405 3.109 8.293 1.00 0.00 H new ATOM 0 HG LEU A 99 4.297 3.573 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.426 4.141 11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.837 2.436 11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.127 3.618 11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.912 5.858 10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.631 5.402 10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.676 5.408 8.684 1.00 0.00 H new ATOM 1528 N ALA A 100 4.729 1.057 7.321 1.00 0.00 N ATOM 1529 CA ALA A 100 3.572 0.788 6.480 1.00 0.00 C ATOM 1530 C ALA A 100 3.158 -0.674 6.607 1.00 0.00 C ATOM 1531 O ALA A 100 1.972 -1.008 6.543 1.00 0.00 O ATOM 1532 CB ALA A 100 3.883 1.130 5.031 1.00 0.00 C ATOM 0 H ALA A 100 5.590 1.241 6.806 1.00 0.00 H new ATOM 0 HA ALA A 100 2.743 1.413 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.009 0.924 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.141 2.186 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.722 0.525 4.686 1.00 0.00 H new ATOM 1538 N ALA A 101 4.148 -1.538 6.798 1.00 0.00 N ATOM 1539 CA ALA A 101 3.901 -2.963 6.980 1.00 0.00 C ATOM 1540 C ALA A 101 3.010 -3.217 8.191 1.00 0.00 C ATOM 1541 O ALA A 101 1.931 -3.796 8.066 1.00 0.00 O ATOM 1542 CB ALA A 101 5.217 -3.715 7.121 1.00 0.00 C ATOM 0 H ALA A 101 5.133 -1.275 6.831 1.00 0.00 H new ATOM 0 HA ALA A 101 3.380 -3.331 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.016 -4.778 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.817 -3.571 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.762 -3.336 7.986 1.00 0.00 H new ATOM 1548 N ALA A 102 3.455 -2.761 9.354 1.00 0.00 N ATOM 1549 CA ALA A 102 2.711 -2.965 10.592 1.00 0.00 C ATOM 1550 C ALA A 102 1.331 -2.310 10.527 1.00 0.00 C ATOM 1551 O ALA A 102 0.340 -2.873 10.998 1.00 0.00 O ATOM 1552 CB ALA A 102 3.500 -2.420 11.773 1.00 0.00 C ATOM 0 H ALA A 102 4.328 -2.247 9.467 1.00 0.00 H new ATOM 0 HA ALA A 102 2.565 -4.037 10.725 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.935 -2.578 12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.457 -2.938 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.674 -1.353 11.633 1.00 0.00 H new ATOM 1558 N TRP A 103 1.276 -1.132 9.914 1.00 0.00 N ATOM 1559 CA TRP A 103 0.037 -0.373 9.806 1.00 0.00 C ATOM 1560 C TRP A 103 -1.050 -1.196 9.111 1.00 0.00 C ATOM 1561 O TRP A 103 -2.189 -1.266 9.582 1.00 0.00 O ATOM 1562 CB TRP A 103 0.293 0.926 9.039 1.00 0.00 C ATOM 1563 CG TRP A 103 -0.843 1.904 9.084 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.126 2.782 10.090 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.835 2.120 8.071 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.235 3.525 9.769 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.689 3.139 8.535 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -2.086 1.551 6.818 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.773 3.598 7.791 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -3.162 2.009 6.081 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.992 3.024 6.568 1.00 0.00 C ATOM 0 H TRP A 103 2.082 -0.680 9.482 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.313 -0.134 10.810 1.00 0.00 H new ATOM 0 HB2 TRP A 103 1.185 1.404 9.445 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.507 0.683 7.998 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.560 2.878 11.005 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.653 4.248 10.355 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.450 0.767 6.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.418 4.379 8.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.365 1.576 5.113 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.823 3.362 5.966 1.00 0.00 H new ATOM 1582 N ILE A 104 -0.695 -1.842 8.005 1.00 0.00 N ATOM 1583 CA ILE A 104 -1.676 -2.612 7.260 1.00 0.00 C ATOM 1584 C ILE A 104 -1.837 -4.009 7.859 1.00 0.00 C ATOM 1585 O ILE A 104 -2.897 -4.623 7.752 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.336 -2.695 5.750 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -2.627 -2.667 4.933 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -0.540 -3.950 5.422 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.477 -1.439 5.190 1.00 0.00 C ATOM 0 H ILE A 104 0.247 -1.847 7.613 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.627 -2.085 7.344 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.718 -1.835 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.378 -2.712 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.212 -3.558 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.320 -3.973 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.394 -3.946 5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.122 -4.831 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.377 -1.485 4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.756 -1.404 6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.910 -0.544 4.935 1.00 0.00 H new ATOM 1601 N SER A 105 -0.805 -4.501 8.527 1.00 0.00 N ATOM 1602 CA SER A 105 -0.916 -5.770 9.231 1.00 0.00 C ATOM 1603 C SER A 105 -2.015 -5.679 10.286 1.00 0.00 C ATOM 1604 O SER A 105 -2.639 -6.677 10.643 1.00 0.00 O ATOM 1605 CB SER A 105 0.418 -6.161 9.869 1.00 0.00 C ATOM 1606 OG SER A 105 1.405 -6.398 8.876 1.00 0.00 O ATOM 0 H SER A 105 0.107 -4.049 8.597 1.00 0.00 H new ATOM 0 HA SER A 105 -1.178 -6.547 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.752 -5.368 10.537 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.286 -7.056 10.477 1.00 0.00 H new ATOM 0 HG SER A 105 1.692 -5.544 8.490 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.255 -4.463 10.762 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.330 -4.209 11.708 1.00 0.00 C ATOM 1614 C ASN A 106 -4.646 -3.888 10.990 1.00 0.00 C ATOM 1615 O ASN A 106 -5.706 -4.344 11.409 1.00 0.00 O ATOM 1616 CB ASN A 106 -2.950 -3.064 12.649 1.00 0.00 C ATOM 1617 CG ASN A 106 -1.845 -3.453 13.616 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -1.726 -4.615 14.007 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -1.030 -2.485 14.006 1.00 0.00 N ATOM 0 H ASN A 106 -1.716 -3.636 10.506 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.480 -5.117 12.292 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.628 -2.205 12.060 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.830 -2.753 13.213 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.269 -2.689 14.654 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.163 -1.535 13.658 1.00 0.00 H new ATOM 1626 N HIS A 107 -4.586 -3.108 9.907 1.00 0.00 N ATOM 1627 CA HIS A 107 -5.803 -2.748 9.169 1.00 0.00 C ATOM 1628 C HIS A 107 -6.290 -3.895 8.284 1.00 0.00 C ATOM 1629 O HIS A 107 -7.457 -4.279 8.348 1.00 0.00 O ATOM 1630 CB HIS A 107 -5.605 -1.489 8.319 1.00 0.00 C ATOM 1631 CG HIS A 107 -6.811 -1.142 7.491 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.031 -0.829 8.045 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -6.994 -1.107 6.148 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -8.908 -0.616 7.083 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.309 -0.776 5.922 1.00 0.00 N ATOM 0 H HIS A 107 -3.724 -2.719 9.525 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.565 -2.541 9.921 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.367 -0.650 8.973 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.749 -1.633 7.660 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.245 -1.303 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.946 -0.354 7.225 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.747 -0.672 5.007 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.405 -4.418 7.442 1.00 0.00 N ATOM 1645 CA ALA A 108 -5.730 -5.568 6.612 1.00 0.00 C ATOM 1646 C ALA A 108 -6.033 -6.746 7.519 1.00 0.00 C ATOM 1647 O ALA A 108 -6.957 -7.519 7.274 1.00 0.00 O ATOM 1648 CB ALA A 108 -4.592 -5.903 5.657 1.00 0.00 C ATOM 0 H ALA A 108 -4.457 -4.062 7.318 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.602 -5.335 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.867 -6.767 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.400 -5.050 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.693 -6.132 6.229 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.242 -6.861 8.580 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.552 -7.821 9.626 1.00 0.00 C ATOM 1656 C GLY A 109 -4.615 -9.007 9.650 1.00 0.00 C ATOM 1657 O GLY A 109 -4.551 -9.741 10.637 1.00 0.00 O ATOM 0 H GLY A 109 -4.397 -6.311 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.515 -7.319 10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.573 -8.177 9.491 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.892 -9.196 8.564 1.00 0.00 N ATOM 1662 CA VAL A 110 -2.939 -10.286 8.458 1.00 0.00 C ATOM 1663 C VAL A 110 -1.550 -9.725 8.181 1.00 0.00 C ATOM 1664 O VAL A 110 -1.430 -8.571 7.764 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.344 -11.289 7.350 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.595 -12.057 7.752 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.568 -10.578 6.024 1.00 0.00 C ATOM 0 H VAL A 110 -3.947 -8.604 7.735 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.932 -10.827 9.404 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.524 -11.996 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.863 -12.756 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.404 -12.608 8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.416 -11.358 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.851 -11.306 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.364 -9.842 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.649 -10.076 5.721 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.486 -10.511 8.434 1.00 0.00 N ATOM 1678 CA PRO A 111 0.899 -10.074 8.207 1.00 0.00 C ATOM 1679 C PRO A 111 1.146 -9.674 6.755 1.00 0.00 C ATOM 1680 O PRO A 111 1.366 -10.522 5.887 1.00 0.00 O ATOM 1681 CB PRO A 111 1.746 -11.298 8.582 1.00 0.00 C ATOM 1682 CG PRO A 111 0.796 -12.449 8.582 1.00 0.00 C ATOM 1683 CD PRO A 111 -0.539 -11.881 8.967 1.00 0.00 C ATOM 0 HA PRO A 111 1.142 -9.189 8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.552 -11.453 7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.210 -11.171 9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.752 -12.919 7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.112 -13.216 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -1.360 -12.451 8.532 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.683 -11.888 10.047 1.00 0.00 H new ATOM 1691 N CYS A 112 1.058 -8.383 6.491 1.00 0.00 N ATOM 1692 CA CYS A 112 1.242 -7.860 5.150 1.00 0.00 C ATOM 1693 C CYS A 112 2.132 -6.628 5.171 1.00 0.00 C ATOM 1694 O CYS A 112 2.491 -6.129 6.236 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.111 -7.520 4.530 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.216 -8.937 4.349 1.00 0.00 S ATOM 0 H CYS A 112 0.858 -7.672 7.195 1.00 0.00 H new ATOM 0 HA CYS A 112 1.728 -8.625 4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -0.602 -6.766 5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 112 0.053 -7.073 3.549 1.00 0.00 H new ATOM 0 HG CYS A 112 -0.588 -10.023 4.689 1.00 0.00 H new ATOM 1702 N ARG A 113 2.488 -6.140 3.997 1.00 0.00 N ATOM 1703 CA ARG A 113 3.276 -4.926 3.895 1.00 0.00 C ATOM 1704 C ARG A 113 2.955 -4.180 2.610 1.00 0.00 C ATOM 1705 O ARG A 113 2.742 -4.792 1.561 1.00 0.00 O ATOM 1706 CB ARG A 113 4.773 -5.247 3.977 1.00 0.00 C ATOM 1707 CG ARG A 113 5.267 -6.178 2.883 1.00 0.00 C ATOM 1708 CD ARG A 113 6.711 -6.594 3.113 1.00 0.00 C ATOM 1709 NE ARG A 113 6.865 -7.368 4.343 1.00 0.00 N ATOM 1710 CZ ARG A 113 7.161 -8.667 4.369 1.00 0.00 C ATOM 1711 NH1 ARG A 113 7.311 -9.336 3.232 1.00 0.00 N ATOM 1712 NH2 ARG A 113 7.294 -9.298 5.528 1.00 0.00 N ATOM 0 H ARG A 113 2.244 -6.565 3.102 1.00 0.00 H new ATOM 0 HA ARG A 113 3.018 -4.280 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 113 5.337 -4.315 3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.985 -5.698 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.634 -7.064 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.180 -5.683 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.058 -7.186 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.341 -5.706 3.161 1.00 0.00 H new ATOM 0 HE ARG A 113 6.739 -6.886 5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.200 -8.856 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 113 7.538 -10.330 3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.170 -8.789 6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 113 7.521 -10.292 5.544 1.00 0.00 H new ATOM 1726 N ILE A 114 2.888 -2.861 2.707 1.00 0.00 N ATOM 1727 CA ILE A 114 2.667 -2.022 1.541 1.00 0.00 C ATOM 1728 C ILE A 114 3.953 -1.935 0.735 1.00 0.00 C ATOM 1729 O ILE A 114 4.989 -1.511 1.251 1.00 0.00 O ATOM 1730 CB ILE A 114 2.209 -0.600 1.938 1.00 0.00 C ATOM 1731 CG1 ILE A 114 0.963 -0.673 2.827 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.931 0.235 0.694 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.493 0.675 3.331 1.00 0.00 C ATOM 0 H ILE A 114 2.984 -2.348 3.584 1.00 0.00 H new ATOM 0 HA ILE A 114 1.875 -2.473 0.944 1.00 0.00 H new ATOM 0 HB ILE A 114 3.009 -0.120 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.155 -1.143 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.174 -1.316 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.609 1.233 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.839 0.309 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.146 -0.239 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.392 0.542 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.284 1.139 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.249 1.315 2.483 1.00 0.00 H new ATOM 1745 N LEU A 115 3.893 -2.357 -0.514 1.00 0.00 N ATOM 1746 CA LEU A 115 5.079 -2.425 -1.342 1.00 0.00 C ATOM 1747 C LEU A 115 4.893 -1.639 -2.630 1.00 0.00 C ATOM 1748 O LEU A 115 3.776 -1.487 -3.137 1.00 0.00 O ATOM 1749 CB LEU A 115 5.430 -3.883 -1.652 1.00 0.00 C ATOM 1750 CG LEU A 115 5.796 -4.732 -0.432 1.00 0.00 C ATOM 1751 CD1 LEU A 115 6.013 -6.180 -0.831 1.00 0.00 C ATOM 1752 CD2 LEU A 115 7.038 -4.178 0.243 1.00 0.00 C ATOM 0 H LEU A 115 3.035 -2.658 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 115 5.904 -1.976 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.582 -4.346 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.266 -3.899 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 115 4.967 -4.692 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.272 -6.766 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.099 -6.576 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.824 -6.240 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.286 -4.792 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.870 -4.190 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.850 -3.154 0.566 1.00 0.00 H new ATOM 1764 N LYS A 116 6.002 -1.143 -3.143 1.00 0.00 N ATOM 1765 CA LYS A 116 6.007 -0.322 -4.334 1.00 0.00 C ATOM 1766 C LYS A 116 6.607 -1.115 -5.483 1.00 0.00 C ATOM 1767 O LYS A 116 7.820 -1.337 -5.521 1.00 0.00 O ATOM 1768 CB LYS A 116 6.836 0.930 -4.061 1.00 0.00 C ATOM 1769 CG LYS A 116 6.349 2.189 -4.753 1.00 0.00 C ATOM 1770 CD LYS A 116 7.040 3.397 -4.156 1.00 0.00 C ATOM 1771 CE LYS A 116 6.397 4.706 -4.568 1.00 0.00 C ATOM 1772 NZ LYS A 116 6.858 5.813 -3.694 1.00 0.00 N ATOM 0 H LYS A 116 6.927 -1.300 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 116 4.992 -0.030 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.852 1.108 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.864 0.740 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.555 2.131 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.269 2.283 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 116 7.026 3.317 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.086 3.399 -4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.645 4.928 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 116 5.312 4.618 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.275 6.657 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.770 5.528 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.853 6.031 -3.905 1.00 0.00 H new ATOM 1786 N VAL A 117 5.763 -1.571 -6.396 1.00 0.00 N ATOM 1787 CA VAL A 117 6.226 -2.386 -7.507 1.00 0.00 C ATOM 1788 C VAL A 117 7.165 -1.584 -8.396 1.00 0.00 C ATOM 1789 O VAL A 117 6.791 -0.554 -8.961 1.00 0.00 O ATOM 1790 CB VAL A 117 5.060 -2.950 -8.344 1.00 0.00 C ATOM 1791 CG1 VAL A 117 5.578 -3.744 -9.536 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.155 -3.817 -7.478 1.00 0.00 C ATOM 0 H VAL A 117 4.759 -1.391 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 117 6.763 -3.234 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 117 4.478 -2.110 -8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.736 -4.131 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.182 -3.095 -10.171 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.188 -4.575 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.337 -4.207 -8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.730 -4.647 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.749 -3.218 -6.663 1.00 0.00 H new ATOM 1802 N HIS A 118 8.394 -2.062 -8.487 1.00 0.00 N ATOM 1803 CA HIS A 118 9.428 -1.409 -9.265 1.00 0.00 C ATOM 1804 C HIS A 118 9.101 -1.552 -10.752 1.00 0.00 C ATOM 1805 O HIS A 118 8.763 -2.646 -11.210 1.00 0.00 O ATOM 1806 CB HIS A 118 10.778 -2.053 -8.916 1.00 0.00 C ATOM 1807 CG HIS A 118 11.987 -1.289 -9.357 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.124 -1.906 -9.818 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.247 0.037 -9.375 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.030 -0.993 -10.109 1.00 0.00 C ATOM 1811 NE2 HIS A 118 13.525 0.198 -9.847 1.00 0.00 N ATOM 0 H HIS A 118 8.702 -2.916 -8.022 1.00 0.00 H new ATOM 0 HA HIS A 118 9.481 -0.345 -9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 118 10.828 -2.188 -7.836 1.00 0.00 H new ATOM 0 HB3 HIS A 118 10.814 -3.046 -9.363 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.248 -2.913 -9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 118 11.573 0.825 -9.073 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.019 -1.187 -10.497 1.00 0.00 H new ATOM 1820 N PRO A 119 9.177 -0.446 -11.519 1.00 0.00 N ATOM 1821 CA PRO A 119 8.825 -0.418 -12.957 1.00 0.00 C ATOM 1822 C PRO A 119 9.701 -1.318 -13.838 1.00 0.00 C ATOM 1823 O PRO A 119 9.703 -1.184 -15.065 1.00 0.00 O ATOM 1824 CB PRO A 119 9.030 1.051 -13.347 1.00 0.00 C ATOM 1825 CG PRO A 119 9.939 1.600 -12.305 1.00 0.00 C ATOM 1826 CD PRO A 119 9.571 0.888 -11.040 1.00 0.00 C ATOM 0 HA PRO A 119 7.814 -0.796 -13.110 1.00 0.00 H new ATOM 0 HB2 PRO A 119 9.469 1.138 -14.341 1.00 0.00 H new ATOM 0 HB3 PRO A 119 8.083 1.590 -13.369 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.983 1.426 -12.564 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.811 2.677 -12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.410 0.837 -10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.755 1.387 -10.518 1.00 0.00 H new ATOM 1834 N ASP A 120 10.438 -2.226 -13.213 1.00 0.00 N ATOM 1835 CA ASP A 120 11.262 -3.190 -13.928 1.00 0.00 C ATOM 1836 C ASP A 120 10.379 -4.043 -14.833 1.00 0.00 C ATOM 1837 O ASP A 120 10.533 -4.049 -16.056 1.00 0.00 O ATOM 1838 CB ASP A 120 12.009 -4.073 -12.923 1.00 0.00 C ATOM 1839 CG ASP A 120 13.171 -4.818 -13.542 1.00 0.00 C ATOM 1840 OD1 ASP A 120 12.945 -5.851 -14.201 1.00 0.00 O ATOM 1841 OD2 ASP A 120 14.325 -4.375 -13.355 1.00 0.00 O ATOM 0 H ASP A 120 10.481 -2.315 -12.198 1.00 0.00 H new ATOM 0 HA ASP A 120 11.992 -2.664 -14.543 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.376 -3.453 -12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 120 11.313 -4.791 -12.491 1.00 0.00 H new ATOM 1846 N MET A 121 9.448 -4.754 -14.217 1.00 0.00 N ATOM 1847 CA MET A 121 8.433 -5.500 -14.953 1.00 0.00 C ATOM 1848 C MET A 121 7.125 -4.720 -14.988 1.00 0.00 C ATOM 1849 O MET A 121 6.345 -4.845 -15.934 1.00 0.00 O ATOM 1850 CB MET A 121 8.204 -6.890 -14.344 1.00 0.00 C ATOM 1851 CG MET A 121 7.939 -6.898 -12.844 1.00 0.00 C ATOM 1852 SD MET A 121 9.408 -6.521 -11.864 1.00 0.00 S ATOM 1853 CE MET A 121 10.531 -7.801 -12.427 1.00 0.00 C ATOM 0 H MET A 121 9.372 -4.832 -13.203 1.00 0.00 H new ATOM 0 HA MET A 121 8.795 -5.637 -15.972 1.00 0.00 H new ATOM 0 HB2 MET A 121 7.359 -7.357 -14.850 1.00 0.00 H new ATOM 0 HB3 MET A 121 9.079 -7.508 -14.547 1.00 0.00 H new ATOM 0 HG2 MET A 121 7.160 -6.171 -12.615 1.00 0.00 H new ATOM 0 HG3 MET A 121 7.557 -7.877 -12.554 1.00 0.00 H new ATOM 0 HE1 MET A 121 11.286 -7.985 -11.662 1.00 0.00 H new ATOM 0 HE2 MET A 121 9.973 -8.718 -12.614 1.00 0.00 H new ATOM 0 HE3 MET A 121 11.018 -7.479 -13.347 1.00 0.00 H new ATOM 1863 N ALA A 122 6.897 -3.935 -13.936 1.00 0.00 N ATOM 1864 CA ALA A 122 5.783 -2.987 -13.864 1.00 0.00 C ATOM 1865 C ALA A 122 4.411 -3.656 -13.757 1.00 0.00 C ATOM 1866 O ALA A 122 3.836 -3.719 -12.672 1.00 0.00 O ATOM 1867 CB ALA A 122 5.818 -2.025 -15.048 1.00 0.00 C ATOM 0 H ALA A 122 7.484 -3.938 -13.102 1.00 0.00 H new ATOM 0 HA ALA A 122 5.922 -2.430 -12.937 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.982 -1.329 -14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.755 -1.469 -15.037 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.741 -2.589 -15.978 1.00 0.00 H new ATOM 1873 N GLU A 123 3.900 -4.152 -14.882 1.00 0.00 N ATOM 1874 CA GLU A 123 2.519 -4.634 -14.969 1.00 0.00 C ATOM 1875 C GLU A 123 2.236 -5.765 -13.982 1.00 0.00 C ATOM 1876 O GLU A 123 1.522 -5.557 -12.995 1.00 0.00 O ATOM 1877 CB GLU A 123 2.207 -5.088 -16.395 1.00 0.00 C ATOM 1878 CG GLU A 123 2.359 -3.980 -17.423 1.00 0.00 C ATOM 1879 CD GLU A 123 2.097 -4.453 -18.835 1.00 0.00 C ATOM 1880 OE1 GLU A 123 3.033 -4.971 -19.476 1.00 0.00 O ATOM 1881 OE2 GLU A 123 0.959 -4.291 -19.322 1.00 0.00 O ATOM 0 H GLU A 123 4.424 -4.232 -15.753 1.00 0.00 H new ATOM 0 HA GLU A 123 1.869 -3.801 -14.702 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.868 -5.913 -16.659 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.188 -5.472 -16.432 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.671 -3.170 -17.182 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.367 -3.570 -17.363 1.00 0.00 H new ATOM 1888 N VAL A 124 2.788 -6.955 -14.260 1.00 0.00 N ATOM 1889 CA VAL A 124 2.616 -8.137 -13.402 1.00 0.00 C ATOM 1890 C VAL A 124 1.186 -8.696 -13.475 1.00 0.00 C ATOM 1891 O VAL A 124 0.977 -9.864 -13.809 1.00 0.00 O ATOM 1892 CB VAL A 124 2.965 -7.821 -11.929 1.00 0.00 C ATOM 1893 CG1 VAL A 124 2.800 -9.053 -11.060 1.00 0.00 C ATOM 1894 CG2 VAL A 124 4.377 -7.265 -11.808 1.00 0.00 C ATOM 0 H VAL A 124 3.365 -7.125 -15.084 1.00 0.00 H new ATOM 0 HA VAL A 124 3.305 -8.893 -13.779 1.00 0.00 H new ATOM 0 HB VAL A 124 2.270 -7.058 -11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.051 -8.807 -10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.767 -9.398 -11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.463 -9.841 -11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.596 -7.052 -10.762 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.090 -7.998 -12.186 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.458 -6.347 -12.390 1.00 0.00 H new ATOM 1904 N ARG A 125 0.234 -7.841 -13.134 1.00 0.00 N ATOM 1905 CA ARG A 125 -1.202 -8.135 -13.141 1.00 0.00 C ATOM 1906 C ARG A 125 -1.622 -8.934 -11.909 1.00 0.00 C ATOM 1907 O ARG A 125 -1.975 -8.342 -10.897 1.00 0.00 O ATOM 1908 CB ARG A 125 -1.671 -8.838 -14.425 1.00 0.00 C ATOM 1909 CG ARG A 125 -3.181 -9.009 -14.469 1.00 0.00 C ATOM 1910 CD ARG A 125 -3.657 -9.685 -15.742 1.00 0.00 C ATOM 1911 NE ARG A 125 -5.113 -9.828 -15.746 1.00 0.00 N ATOM 1912 CZ ARG A 125 -5.852 -10.065 -16.828 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -5.281 -10.254 -18.015 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -7.170 -10.127 -16.716 1.00 0.00 N ATOM 0 H ARG A 125 0.441 -6.889 -12.833 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.699 -7.165 -13.111 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.347 -8.261 -15.292 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.194 -9.816 -14.496 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.501 -9.597 -13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.656 -8.032 -14.382 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.343 -9.101 -16.607 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.191 -10.666 -15.833 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.598 -9.740 -14.853 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.266 -10.218 -18.104 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.859 -10.435 -18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -7.611 -9.994 -15.806 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.744 -10.308 -17.540 1.00 0.00 H new ATOM 1928 N TRP A 126 -1.566 -10.263 -12.000 1.00 0.00 N ATOM 1929 CA TRP A 126 -2.049 -11.159 -10.939 1.00 0.00 C ATOM 1930 C TRP A 126 -2.235 -12.565 -11.530 1.00 0.00 C ATOM 1931 O TRP A 126 -2.648 -12.697 -12.686 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.383 -10.651 -10.332 1.00 0.00 C ATOM 1933 CG TRP A 126 -3.654 -11.187 -8.958 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.152 -10.709 -7.783 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -4.473 -12.310 -8.617 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -3.595 -11.477 -6.733 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.406 -12.466 -7.222 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.250 -13.201 -9.357 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.083 -13.482 -6.554 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -5.921 -14.210 -8.692 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -5.831 -14.342 -7.304 1.00 0.00 C ATOM 0 H TRP A 126 -1.185 -10.753 -12.810 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.314 -11.184 -10.134 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.364 -9.562 -10.292 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.204 -10.931 -10.992 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.501 -9.852 -7.691 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.359 -11.334 -5.751 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -5.326 -13.104 -10.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.019 -13.586 -5.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -6.524 -14.907 -9.254 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -6.365 -15.142 -6.814 1.00 0.00 H new ATOM 1952 N PRO A 127 -1.919 -13.630 -10.762 1.00 0.00 N ATOM 1953 CA PRO A 127 -1.993 -15.027 -11.235 1.00 0.00 C ATOM 1954 C PRO A 127 -3.394 -15.422 -11.694 1.00 0.00 C ATOM 1955 O PRO A 127 -4.334 -15.447 -10.910 1.00 0.00 O ATOM 1956 CB PRO A 127 -1.595 -15.836 -9.991 1.00 0.00 C ATOM 1957 CG PRO A 127 -1.904 -14.921 -8.862 1.00 0.00 C ATOM 1958 CD PRO A 127 -1.483 -13.577 -9.361 1.00 0.00 C ATOM 0 HA PRO A 127 -1.356 -15.195 -12.103 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.161 -16.765 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -0.539 -16.106 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -2.965 -14.940 -8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -1.359 -15.201 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -1.965 -12.767 -8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.407 -13.426 -9.272 1.00 0.00 H new