USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=20 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.436 K(o=-0.44,f=-6.4!) USER MOD Single : A 12 CYS SG : rot 80:sc= -6.42! USER MOD Single : A 15 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0856 USER MOD Single : A 17 GLN : amide:sc= -0.565 K(o=-0.57,f=-8.4!) 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= -0.659 K(o=-0.66,f=-2) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 0.933 (180deg=-0.553) USER MOD Single : A 31 ASN : amide:sc= -3.39! C(o=-3.4!,f=-9.9!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.414 K(o=0.41,f=-5.8!) USER MOD Single : A 42 CYS SG : rot 3:sc= -0.287 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+ 142:sc= 0.983 (180deg=0.26) USER MOD Single : A 64 MET CE :methyl -110:sc= -0.662 (180deg=-3.56!) 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 -123:sc= -1.94! (180deg=-5.11!) USER MOD Single : A 89 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -4:sc= -0.964! USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 107 HIS : no HD1:sc= 0.57 K(o=0.57,f=-2.7!) USER MOD Single : A 112 CYS SG : rot 110:sc= -2.5! USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= -1.37! (180deg=-2.43!) USER MOD Single : A 118 HIS : no HE2:sc= 0.769 K(o=0.77,f=-5.4!) USER MOD Single : A 121 MET CE :methyl -153:sc= 0 (180deg=-0.696) USER MOD ----------------------------------------------------------------- ATOM 59 N ALA A 5 -10.931 13.180 -9.985 1.00 0.00 N ATOM 60 CA ALA A 5 -10.287 12.371 -8.965 1.00 0.00 C ATOM 61 C ALA A 5 -9.285 11.421 -9.603 1.00 0.00 C ATOM 62 O ALA A 5 -9.584 10.766 -10.605 1.00 0.00 O ATOM 63 CB ALA A 5 -11.326 11.595 -8.167 1.00 0.00 C ATOM 0 HA ALA A 5 -9.753 13.031 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -10.827 10.994 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.011 12.293 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.885 10.942 -8.836 1.00 0.00 H new ATOM 69 N TYR A 6 -8.096 11.367 -9.032 1.00 0.00 N ATOM 70 CA TYR A 6 -7.021 10.539 -9.562 1.00 0.00 C ATOM 71 C TYR A 6 -6.716 9.405 -8.599 1.00 0.00 C ATOM 72 O TYR A 6 -6.756 9.599 -7.391 1.00 0.00 O ATOM 73 CB TYR A 6 -5.762 11.377 -9.789 1.00 0.00 C ATOM 74 CG TYR A 6 -6.004 12.622 -10.614 1.00 0.00 C ATOM 75 CD1 TYR A 6 -6.017 12.567 -11.999 1.00 0.00 C ATOM 76 CD2 TYR A 6 -6.225 13.851 -10.003 1.00 0.00 C ATOM 77 CE1 TYR A 6 -6.240 13.702 -12.756 1.00 0.00 C ATOM 78 CE2 TYR A 6 -6.450 14.989 -10.752 1.00 0.00 C ATOM 79 CZ TYR A 6 -6.457 14.909 -12.128 1.00 0.00 C ATOM 80 OH TYR A 6 -6.676 16.042 -12.877 1.00 0.00 O ATOM 0 H TYR A 6 -7.846 11.891 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.343 10.123 -10.517 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.349 11.666 -8.823 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.011 10.762 -10.286 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.850 11.622 -12.495 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.221 13.917 -8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.244 13.643 -13.834 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.620 15.937 -10.262 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.812 16.807 -12.280 1.00 0.00 H new ATOM 90 N GLN A 7 -6.435 8.224 -9.132 1.00 0.00 N ATOM 91 CA GLN A 7 -6.117 7.068 -8.306 1.00 0.00 C ATOM 92 C GLN A 7 -4.607 6.850 -8.241 1.00 0.00 C ATOM 93 O GLN A 7 -4.020 6.276 -9.158 1.00 0.00 O ATOM 94 CB GLN A 7 -6.789 5.795 -8.846 1.00 0.00 C ATOM 95 CG GLN A 7 -8.313 5.817 -8.822 1.00 0.00 C ATOM 96 CD GLN A 7 -8.941 6.384 -10.089 1.00 0.00 C ATOM 97 OE1 GLN A 7 -8.364 7.234 -10.769 1.00 0.00 O ATOM 98 NE2 GLN A 7 -10.126 5.895 -10.425 1.00 0.00 N ATOM 0 H GLN A 7 -6.421 8.041 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.498 7.270 -7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.458 5.634 -9.872 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.443 4.942 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.679 4.802 -8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.645 6.407 -7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.573 5.192 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.591 6.222 -11.272 1.00 0.00 H new ATOM 107 N PRO A 8 -3.950 7.336 -7.177 1.00 0.00 N ATOM 108 CA PRO A 8 -2.525 7.106 -6.952 1.00 0.00 C ATOM 109 C PRO A 8 -2.257 5.705 -6.427 1.00 0.00 C ATOM 110 O PRO A 8 -1.461 4.949 -7.002 1.00 0.00 O ATOM 111 CB PRO A 8 -2.138 8.137 -5.881 1.00 0.00 C ATOM 112 CG PRO A 8 -3.351 8.983 -5.664 1.00 0.00 C ATOM 113 CD PRO A 8 -4.528 8.171 -6.124 1.00 0.00 C ATOM 0 HA PRO A 8 -1.956 7.203 -7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.836 7.644 -4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.294 8.743 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.453 9.252 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.279 9.914 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.947 7.571 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.332 8.802 -6.503 1.00 0.00 H new ATOM 121 N ILE A 9 -2.939 5.374 -5.331 1.00 0.00 N ATOM 122 CA ILE A 9 -2.736 4.115 -4.628 1.00 0.00 C ATOM 123 C ILE A 9 -3.920 3.174 -4.863 1.00 0.00 C ATOM 124 O ILE A 9 -5.056 3.621 -5.053 1.00 0.00 O ATOM 125 CB ILE A 9 -2.577 4.344 -3.106 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.825 5.648 -2.821 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.855 3.170 -2.462 1.00 0.00 C ATOM 128 CD1 ILE A 9 -0.427 5.687 -3.394 1.00 0.00 C ATOM 0 H ILE A 9 -3.647 5.974 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.823 3.667 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.574 4.423 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.397 6.482 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.769 5.795 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.752 3.349 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.428 2.257 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.866 3.062 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.040 6.641 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.163 4.875 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.474 5.573 -4.477 1.00 0.00 H new ATOM 140 N ALA A 10 -3.647 1.878 -4.823 1.00 0.00 N ATOM 141 CA ALA A 10 -4.638 0.856 -5.134 1.00 0.00 C ATOM 142 C ALA A 10 -5.683 0.716 -4.028 1.00 0.00 C ATOM 143 O ALA A 10 -6.888 0.794 -4.285 1.00 0.00 O ATOM 144 CB ALA A 10 -3.935 -0.473 -5.361 1.00 0.00 C ATOM 0 H ALA A 10 -2.731 1.504 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.165 1.160 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.673 -1.240 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.236 -0.378 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.391 -0.755 -4.460 1.00 0.00 H new ATOM 150 N GLU A 11 -5.205 0.488 -2.811 1.00 0.00 N ATOM 151 CA GLU A 11 -6.060 0.229 -1.655 1.00 0.00 C ATOM 152 C GLU A 11 -7.058 1.361 -1.433 1.00 0.00 C ATOM 153 O GLU A 11 -8.262 1.128 -1.348 1.00 0.00 O ATOM 154 CB GLU A 11 -5.213 0.050 -0.390 1.00 0.00 C ATOM 155 CG GLU A 11 -3.986 -0.833 -0.574 1.00 0.00 C ATOM 156 CD GLU A 11 -2.790 -0.072 -1.113 1.00 0.00 C ATOM 157 OE1 GLU A 11 -2.668 0.044 -2.349 1.00 0.00 O ATOM 158 OE2 GLU A 11 -1.983 0.417 -0.300 1.00 0.00 O ATOM 0 H GLU A 11 -4.208 0.477 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.612 -0.688 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.890 1.031 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.839 -0.377 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.722 -1.285 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.229 -1.648 -1.255 1.00 0.00 H new ATOM 165 N CYS A 12 -6.549 2.583 -1.350 1.00 0.00 N ATOM 166 CA CYS A 12 -7.391 3.735 -1.070 1.00 0.00 C ATOM 167 C CYS A 12 -8.290 4.063 -2.253 1.00 0.00 C ATOM 168 O CYS A 12 -9.493 4.269 -2.095 1.00 0.00 O ATOM 169 CB CYS A 12 -6.526 4.942 -0.715 1.00 0.00 C ATOM 170 SG CYS A 12 -5.344 5.404 -1.999 1.00 0.00 S ATOM 0 H CYS A 12 -5.560 2.800 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.029 3.489 -0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.175 5.793 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.982 4.728 0.205 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.952 6.087 -2.923 1.00 0.00 H new ATOM 176 N GLY A 13 -7.705 4.100 -3.442 1.00 0.00 N ATOM 177 CA GLY A 13 -8.477 4.408 -4.623 1.00 0.00 C ATOM 178 C GLY A 13 -8.245 5.822 -5.116 1.00 0.00 C ATOM 179 O GLY A 13 -7.101 6.243 -5.302 1.00 0.00 O ATOM 0 H GLY A 13 -6.714 3.923 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.220 3.704 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.536 4.272 -4.406 1.00 0.00 H new ATOM 183 N ALA A 14 -9.330 6.557 -5.312 1.00 0.00 N ATOM 184 CA ALA A 14 -9.265 7.880 -5.919 1.00 0.00 C ATOM 185 C ALA A 14 -9.074 8.982 -4.881 1.00 0.00 C ATOM 186 O ALA A 14 -9.671 8.957 -3.804 1.00 0.00 O ATOM 187 CB ALA A 14 -10.520 8.143 -6.739 1.00 0.00 C ATOM 0 H ALA A 14 -10.272 6.258 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.393 7.895 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.460 9.135 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.604 7.393 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.395 8.090 -6.092 1.00 0.00 H new ATOM 193 N THR A 15 -8.232 9.942 -5.226 1.00 0.00 N ATOM 194 CA THR A 15 -8.002 11.117 -4.409 1.00 0.00 C ATOM 195 C THR A 15 -8.517 12.362 -5.130 1.00 0.00 C ATOM 196 O THR A 15 -8.330 12.508 -6.339 1.00 0.00 O ATOM 197 CB THR A 15 -6.499 11.289 -4.114 1.00 0.00 C ATOM 198 OG1 THR A 15 -5.951 10.047 -3.660 1.00 0.00 O ATOM 199 CG2 THR A 15 -6.268 12.363 -3.060 1.00 0.00 C ATOM 0 H THR A 15 -7.686 9.926 -6.087 1.00 0.00 H new ATOM 0 HA THR A 15 -8.537 10.988 -3.468 1.00 0.00 H new ATOM 0 HB THR A 15 -6.003 11.597 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.042 10.194 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.199 12.464 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.665 13.314 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.775 12.082 -2.137 1.00 0.00 H new ATOM 207 N THR A 16 -9.155 13.255 -4.390 1.00 0.00 N ATOM 208 CA THR A 16 -9.734 14.464 -4.962 1.00 0.00 C ATOM 209 C THR A 16 -8.724 15.616 -5.027 1.00 0.00 C ATOM 210 O THR A 16 -9.096 16.786 -4.938 1.00 0.00 O ATOM 211 CB THR A 16 -10.954 14.895 -4.139 1.00 0.00 C ATOM 212 OG1 THR A 16 -10.729 14.594 -2.752 1.00 0.00 O ATOM 213 CG2 THR A 16 -12.210 14.189 -4.624 1.00 0.00 C ATOM 0 H THR A 16 -9.287 13.165 -3.383 1.00 0.00 H new ATOM 0 HA THR A 16 -10.034 14.230 -5.984 1.00 0.00 H new ATOM 0 HB THR A 16 -11.096 15.969 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.508 14.871 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.062 14.511 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.387 14.439 -5.670 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.083 13.111 -4.525 1.00 0.00 H new ATOM 221 N GLN A 17 -7.454 15.276 -5.210 1.00 0.00 N ATOM 222 CA GLN A 17 -6.393 16.272 -5.303 1.00 0.00 C ATOM 223 C GLN A 17 -5.693 16.166 -6.651 1.00 0.00 C ATOM 224 O GLN A 17 -5.391 15.066 -7.112 1.00 0.00 O ATOM 225 CB GLN A 17 -5.385 16.089 -4.168 1.00 0.00 C ATOM 226 CG GLN A 17 -5.923 16.497 -2.803 1.00 0.00 C ATOM 227 CD GLN A 17 -5.015 16.068 -1.669 1.00 0.00 C ATOM 228 OE1 GLN A 17 -4.362 15.030 -1.744 1.00 0.00 O ATOM 229 NE2 GLN A 17 -4.955 16.867 -0.617 1.00 0.00 N ATOM 0 H GLN A 17 -7.132 14.312 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.838 17.263 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.078 15.044 -4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.493 16.675 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.048 17.579 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.910 16.058 -2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.513 17.721 -0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.351 16.630 0.170 1.00 0.00 H new ATOM 238 N SER A 18 -5.431 17.308 -7.274 1.00 0.00 N ATOM 239 CA SER A 18 -4.830 17.340 -8.605 1.00 0.00 C ATOM 240 C SER A 18 -3.402 16.791 -8.592 1.00 0.00 C ATOM 241 O SER A 18 -2.929 16.238 -9.588 1.00 0.00 O ATOM 242 CB SER A 18 -4.839 18.769 -9.148 1.00 0.00 C ATOM 243 OG SER A 18 -6.149 19.316 -9.117 1.00 0.00 O ATOM 0 H SER A 18 -5.625 18.228 -6.879 1.00 0.00 H new ATOM 0 HA SER A 18 -5.426 16.701 -9.257 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.167 19.391 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.462 18.776 -10.171 1.00 0.00 H new ATOM 0 HG SER A 18 -6.130 20.231 -9.467 1.00 0.00 H new ATOM 249 N GLU A 19 -2.732 16.936 -7.454 1.00 0.00 N ATOM 250 CA GLU A 19 -1.357 16.472 -7.291 1.00 0.00 C ATOM 251 C GLU A 19 -1.265 14.955 -7.386 1.00 0.00 C ATOM 252 O GLU A 19 -0.216 14.413 -7.724 1.00 0.00 O ATOM 253 CB GLU A 19 -0.788 16.928 -5.941 1.00 0.00 C ATOM 254 CG GLU A 19 -0.535 18.427 -5.830 1.00 0.00 C ATOM 255 CD GLU A 19 -1.795 19.260 -5.959 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.854 18.836 -5.442 1.00 0.00 O ATOM 257 OE2 GLU A 19 -1.734 20.337 -6.588 1.00 0.00 O ATOM 0 H GLU A 19 -3.124 17.376 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.772 16.909 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.479 16.630 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.149 16.401 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.065 18.639 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.171 18.727 -6.604 1.00 0.00 H new ATOM 264 N ALA A 20 -2.374 14.279 -7.110 1.00 0.00 N ATOM 265 CA ALA A 20 -2.401 12.819 -7.078 1.00 0.00 C ATOM 266 C ALA A 20 -1.970 12.221 -8.413 1.00 0.00 C ATOM 267 O ALA A 20 -1.365 11.152 -8.457 1.00 0.00 O ATOM 268 CB ALA A 20 -3.788 12.327 -6.700 1.00 0.00 C ATOM 0 H ALA A 20 -3.271 14.720 -6.904 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.688 12.489 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.795 11.237 -6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.054 12.710 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.512 12.681 -7.434 1.00 0.00 H new ATOM 274 N ALA A 21 -2.253 12.938 -9.494 1.00 0.00 N ATOM 275 CA ALA A 21 -1.929 12.475 -10.840 1.00 0.00 C ATOM 276 C ALA A 21 -0.420 12.346 -11.045 1.00 0.00 C ATOM 277 O ALA A 21 0.037 11.567 -11.880 1.00 0.00 O ATOM 278 CB ALA A 21 -2.519 13.421 -11.874 1.00 0.00 C ATOM 0 H ALA A 21 -2.710 13.850 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.366 11.484 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.271 13.067 -12.875 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.602 13.456 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.107 14.420 -11.731 1.00 0.00 H new ATOM 284 N ALA A 22 0.349 13.100 -10.270 1.00 0.00 N ATOM 285 CA ALA A 22 1.797 13.111 -10.420 1.00 0.00 C ATOM 286 C ALA A 22 2.464 12.087 -9.506 1.00 0.00 C ATOM 287 O ALA A 22 3.636 11.755 -9.686 1.00 0.00 O ATOM 288 CB ALA A 22 2.347 14.504 -10.141 1.00 0.00 C ATOM 0 H ALA A 22 -0.005 13.710 -9.533 1.00 0.00 H new ATOM 0 HA ALA A 22 2.026 12.837 -11.450 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.431 14.497 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.911 15.215 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.093 14.798 -9.123 1.00 0.00 H new ATOM 294 N TYR A 23 1.720 11.577 -8.530 1.00 0.00 N ATOM 295 CA TYR A 23 2.293 10.655 -7.559 1.00 0.00 C ATOM 296 C TYR A 23 1.711 9.254 -7.701 1.00 0.00 C ATOM 297 O TYR A 23 2.103 8.342 -6.972 1.00 0.00 O ATOM 298 CB TYR A 23 2.077 11.161 -6.132 1.00 0.00 C ATOM 299 CG TYR A 23 2.770 12.473 -5.835 1.00 0.00 C ATOM 300 CD1 TYR A 23 4.135 12.519 -5.580 1.00 0.00 C ATOM 301 CD2 TYR A 23 2.058 13.664 -5.804 1.00 0.00 C ATOM 302 CE1 TYR A 23 4.769 13.716 -5.302 1.00 0.00 C ATOM 303 CE2 TYR A 23 2.682 14.864 -5.530 1.00 0.00 C ATOM 304 CZ TYR A 23 4.039 14.887 -5.278 1.00 0.00 C ATOM 305 OH TYR A 23 4.666 16.080 -5.001 1.00 0.00 O ATOM 0 H TYR A 23 0.731 11.784 -8.392 1.00 0.00 H new ATOM 0 HA TYR A 23 3.363 10.603 -7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.008 11.278 -5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.434 10.406 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.710 11.605 -5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.996 13.651 -5.998 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.831 13.734 -5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.111 15.781 -5.513 1.00 0.00 H new ATOM 0 HH TYR A 23 4.010 16.808 -5.025 1.00 0.00 H new ATOM 315 N GLN A 24 0.787 9.080 -8.637 1.00 0.00 N ATOM 316 CA GLN A 24 0.188 7.773 -8.871 1.00 0.00 C ATOM 317 C GLN A 24 1.220 6.805 -9.442 1.00 0.00 C ATOM 318 O GLN A 24 2.148 7.218 -10.139 1.00 0.00 O ATOM 319 CB GLN A 24 -1.042 7.876 -9.793 1.00 0.00 C ATOM 320 CG GLN A 24 -0.825 8.700 -11.051 1.00 0.00 C ATOM 321 CD GLN A 24 0.068 8.024 -12.066 1.00 0.00 C ATOM 322 OE1 GLN A 24 0.046 6.803 -12.229 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.892 8.808 -12.726 1.00 0.00 N ATOM 0 H GLN A 24 0.438 9.822 -9.243 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.154 7.384 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.348 6.870 -10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.867 8.310 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.791 8.909 -11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.388 9.660 -10.776 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.879 9.815 -12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.544 8.409 -13.402 1.00 0.00 H new ATOM 332 N LYS A 25 1.028 5.527 -9.147 1.00 0.00 N ATOM 333 CA LYS A 25 1.945 4.455 -9.560 1.00 0.00 C ATOM 334 C LYS A 25 1.258 3.112 -9.376 1.00 0.00 C ATOM 335 O LYS A 25 0.097 3.059 -8.966 1.00 0.00 O ATOM 336 CB LYS A 25 3.242 4.451 -8.726 1.00 0.00 C ATOM 337 CG LYS A 25 4.246 5.534 -9.089 1.00 0.00 C ATOM 338 CD LYS A 25 4.735 5.395 -10.522 1.00 0.00 C ATOM 339 CE LYS A 25 5.596 6.581 -10.927 1.00 0.00 C ATOM 340 NZ LYS A 25 4.844 7.862 -10.855 1.00 0.00 N ATOM 0 H LYS A 25 0.227 5.194 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 25 2.205 4.629 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.979 4.559 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.723 3.479 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.788 6.514 -8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.096 5.484 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.308 4.474 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.881 5.316 -11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.469 6.635 -10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.964 6.433 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.965 8.386 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.834 7.664 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.206 8.433 -10.065 1.00 0.00 H new ATOM 354 N ARG A 26 1.963 2.028 -9.680 1.00 0.00 N ATOM 355 CA ARG A 26 1.471 0.701 -9.347 1.00 0.00 C ATOM 356 C ARG A 26 1.786 0.394 -7.893 1.00 0.00 C ATOM 357 O ARG A 26 2.768 -0.273 -7.567 1.00 0.00 O ATOM 358 CB ARG A 26 2.039 -0.366 -10.286 1.00 0.00 C ATOM 359 CG ARG A 26 1.480 -0.254 -11.692 1.00 0.00 C ATOM 360 CD ARG A 26 1.931 -1.389 -12.590 1.00 0.00 C ATOM 361 NE ARG A 26 1.418 -1.220 -13.949 1.00 0.00 N ATOM 362 CZ ARG A 26 0.713 -2.140 -14.607 1.00 0.00 C ATOM 363 NH1 ARG A 26 0.452 -3.316 -14.049 1.00 0.00 N ATOM 364 NH2 ARG A 26 0.266 -1.886 -15.828 1.00 0.00 N ATOM 0 H ARG A 26 2.867 2.043 -10.151 1.00 0.00 H new ATOM 0 HA ARG A 26 0.390 0.685 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.125 -0.275 -10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.815 -1.355 -9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.391 -0.242 -11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.791 0.695 -12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.020 -1.429 -12.611 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.585 -2.339 -12.183 1.00 0.00 H new ATOM 0 HE ARG A 26 1.613 -0.339 -14.425 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.792 -3.521 -13.109 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.088 -4.014 -14.560 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.461 -0.986 -16.266 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.273 -2.591 -16.331 1.00 0.00 H new ATOM 378 N TRP A 27 0.959 0.954 -7.033 1.00 0.00 N ATOM 379 CA TRP A 27 1.099 0.818 -5.597 1.00 0.00 C ATOM 380 C TRP A 27 0.120 -0.230 -5.105 1.00 0.00 C ATOM 381 O TRP A 27 -0.958 -0.357 -5.683 1.00 0.00 O ATOM 382 CB TRP A 27 0.768 2.161 -4.953 1.00 0.00 C ATOM 383 CG TRP A 27 1.745 2.603 -3.918 1.00 0.00 C ATOM 384 CD1 TRP A 27 2.121 1.923 -2.802 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.445 3.851 -3.895 1.00 0.00 C ATOM 386 NE1 TRP A 27 3.035 2.668 -2.085 1.00 0.00 N ATOM 387 CE2 TRP A 27 3.244 3.861 -2.737 1.00 0.00 C ATOM 388 CE3 TRP A 27 2.472 4.959 -4.746 1.00 0.00 C ATOM 389 CZ2 TRP A 27 4.064 4.945 -2.413 1.00 0.00 C ATOM 390 CZ3 TRP A 27 3.279 6.031 -4.423 1.00 0.00 C ATOM 391 CH2 TRP A 27 4.066 6.017 -3.265 1.00 0.00 C ATOM 0 H TRP A 27 0.161 1.523 -7.315 1.00 0.00 H new ATOM 0 HA TRP A 27 2.115 0.519 -5.338 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.714 2.921 -5.733 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.221 2.099 -4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.758 0.946 -2.519 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.482 2.381 -1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.871 4.976 -5.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.675 4.938 -1.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.304 6.893 -5.073 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.688 6.870 -3.039 1.00 0.00 H new ATOM 402 N LEU A 28 0.477 -0.979 -4.063 1.00 0.00 N ATOM 403 CA LEU A 28 -0.443 -1.963 -3.502 1.00 0.00 C ATOM 404 C LEU A 28 0.102 -2.604 -2.234 1.00 0.00 C ATOM 405 O LEU A 28 1.206 -2.303 -1.782 1.00 0.00 O ATOM 406 CB LEU A 28 -0.768 -3.047 -4.541 1.00 0.00 C ATOM 407 CG LEU A 28 0.438 -3.693 -5.231 1.00 0.00 C ATOM 408 CD1 LEU A 28 0.944 -4.905 -4.455 1.00 0.00 C ATOM 409 CD2 LEU A 28 0.074 -4.081 -6.651 1.00 0.00 C ATOM 0 H LEU A 28 1.383 -0.924 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.356 -1.431 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.346 -3.831 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.409 -2.609 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 28 1.246 -2.962 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.800 -5.338 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.245 -4.596 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.150 -5.648 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.936 -4.540 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.753 -4.791 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.223 -3.191 -7.206 1.00 0.00 H new ATOM 421 N VAL A 29 -0.697 -3.490 -1.663 1.00 0.00 N ATOM 422 CA VAL A 29 -0.287 -4.266 -0.511 1.00 0.00 C ATOM 423 C VAL A 29 -0.137 -5.722 -0.909 1.00 0.00 C ATOM 424 O VAL A 29 -0.968 -6.260 -1.639 1.00 0.00 O ATOM 425 CB VAL A 29 -1.315 -4.167 0.638 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.857 -4.965 1.851 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.555 -2.719 1.016 1.00 0.00 C ATOM 0 H VAL A 29 -1.644 -3.689 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 29 0.663 -3.863 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.254 -4.594 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.599 -4.878 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.742 -6.013 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.098 -4.576 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.282 -2.670 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.618 -2.268 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.938 -2.176 0.152 1.00 0.00 H new ATOM 437 N ALA A 30 0.925 -6.352 -0.454 1.00 0.00 N ATOM 438 CA ALA A 30 1.092 -7.774 -0.651 1.00 0.00 C ATOM 439 C ALA A 30 1.307 -8.440 0.691 1.00 0.00 C ATOM 440 O ALA A 30 1.924 -7.864 1.584 1.00 0.00 O ATOM 441 CB ALA A 30 2.244 -8.074 -1.599 1.00 0.00 C ATOM 0 H ALA A 30 1.685 -5.901 0.055 1.00 0.00 H new ATOM 0 HA ALA A 30 0.189 -8.174 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.341 -9.152 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.048 -7.612 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.169 -7.672 -1.186 1.00 0.00 H new ATOM 447 N ASN A 31 0.794 -9.641 0.840 1.00 0.00 N ATOM 448 CA ASN A 31 0.900 -10.346 2.098 1.00 0.00 C ATOM 449 C ASN A 31 2.307 -10.921 2.229 1.00 0.00 C ATOM 450 O ASN A 31 2.908 -11.326 1.230 1.00 0.00 O ATOM 451 CB ASN A 31 -0.200 -11.416 2.187 1.00 0.00 C ATOM 452 CG ASN A 31 0.321 -12.828 2.335 1.00 0.00 C ATOM 453 OD1 ASN A 31 0.567 -13.516 1.348 1.00 0.00 O ATOM 454 ND2 ASN A 31 0.477 -13.274 3.571 1.00 0.00 N ATOM 0 H ASN A 31 0.300 -10.149 0.107 1.00 0.00 H new ATOM 0 HA ASN A 31 0.746 -9.669 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.846 -11.188 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.819 -11.361 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.814 -14.223 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.261 -12.668 4.363 1.00 0.00 H new ATOM 461 N ASP A 32 2.835 -10.897 3.457 1.00 0.00 N ATOM 462 CA ASP A 32 4.244 -11.222 3.745 1.00 0.00 C ATOM 463 C ASP A 32 4.713 -12.517 3.079 1.00 0.00 C ATOM 464 O ASP A 32 5.902 -12.679 2.811 1.00 0.00 O ATOM 465 CB ASP A 32 4.479 -11.302 5.255 1.00 0.00 C ATOM 466 CG ASP A 32 5.946 -11.144 5.621 1.00 0.00 C ATOM 467 OD1 ASP A 32 6.687 -12.149 5.604 1.00 0.00 O ATOM 468 OD2 ASP A 32 6.360 -10.006 5.945 1.00 0.00 O ATOM 0 H ASP A 32 2.297 -10.650 4.288 1.00 0.00 H new ATOM 0 HA ASP A 32 4.836 -10.412 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.897 -10.526 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.116 -12.260 5.627 1.00 0.00 H new ATOM 473 N ALA A 33 3.779 -13.429 2.802 1.00 0.00 N ATOM 474 CA ALA A 33 4.099 -14.694 2.135 1.00 0.00 C ATOM 475 C ALA A 33 4.776 -14.464 0.786 1.00 0.00 C ATOM 476 O ALA A 33 5.412 -15.364 0.238 1.00 0.00 O ATOM 477 CB ALA A 33 2.833 -15.520 1.933 1.00 0.00 C ATOM 0 H ALA A 33 2.791 -13.315 3.030 1.00 0.00 H new ATOM 0 HA ALA A 33 4.793 -15.235 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.085 -16.457 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.379 -15.733 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.128 -14.961 1.317 1.00 0.00 H new ATOM 483 N GLY A 34 4.634 -13.256 0.257 1.00 0.00 N ATOM 484 CA GLY A 34 5.167 -12.947 -1.052 1.00 0.00 C ATOM 485 C GLY A 34 4.067 -12.913 -2.082 1.00 0.00 C ATOM 486 O GLY A 34 4.321 -12.984 -3.282 1.00 0.00 O ATOM 0 H GLY A 34 4.156 -12.481 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.676 -11.983 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.911 -13.693 -1.332 1.00 0.00 H new ATOM 490 N GLN A 35 2.843 -12.776 -1.600 1.00 0.00 N ATOM 491 CA GLN A 35 1.667 -12.873 -2.444 1.00 0.00 C ATOM 492 C GLN A 35 0.957 -11.526 -2.547 1.00 0.00 C ATOM 493 O GLN A 35 0.648 -10.906 -1.530 1.00 0.00 O ATOM 494 CB GLN A 35 0.724 -13.923 -1.852 1.00 0.00 C ATOM 495 CG GLN A 35 -0.591 -14.066 -2.592 1.00 0.00 C ATOM 496 CD GLN A 35 -1.553 -15.008 -1.899 1.00 0.00 C ATOM 497 OE1 GLN A 35 -1.566 -16.209 -2.160 1.00 0.00 O ATOM 498 NE2 GLN A 35 -2.364 -14.468 -1.002 1.00 0.00 N ATOM 0 H GLN A 35 2.638 -12.595 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 35 1.969 -13.167 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.231 -14.888 -1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.517 -13.665 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.057 -13.085 -2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.397 -14.429 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.322 -13.466 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.031 -15.054 -0.499 1.00 0.00 H new ATOM 507 N TRP A 36 0.704 -11.077 -3.775 1.00 0.00 N ATOM 508 CA TRP A 36 -0.077 -9.862 -4.006 1.00 0.00 C ATOM 509 C TRP A 36 -1.446 -9.976 -3.346 1.00 0.00 C ATOM 510 O TRP A 36 -2.200 -10.914 -3.620 1.00 0.00 O ATOM 511 CB TRP A 36 -0.260 -9.618 -5.506 1.00 0.00 C ATOM 512 CG TRP A 36 0.791 -8.747 -6.139 1.00 0.00 C ATOM 513 CD1 TRP A 36 2.105 -8.632 -5.782 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.603 -7.871 -7.260 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.742 -7.742 -6.619 1.00 0.00 N ATOM 516 CE2 TRP A 36 1.841 -7.261 -7.527 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.496 -7.544 -8.063 1.00 0.00 C ATOM 518 CZ2 TRP A 36 2.012 -6.341 -8.563 1.00 0.00 C ATOM 519 CZ3 TRP A 36 -0.325 -6.632 -9.090 1.00 0.00 C ATOM 520 CH2 TRP A 36 0.921 -6.040 -9.333 1.00 0.00 C ATOM 0 H TRP A 36 1.028 -11.536 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 36 0.466 -9.024 -3.569 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.270 -10.581 -6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.236 -9.161 -5.669 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.574 -9.160 -4.965 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.727 -7.484 -6.569 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.461 -7.996 -7.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.972 -5.883 -8.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.167 -6.372 -9.715 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.023 -5.333 -10.143 1.00 0.00 H new ATOM 531 N LEU A 37 -1.766 -9.028 -2.479 1.00 0.00 N ATOM 532 CA LEU A 37 -3.040 -9.042 -1.786 1.00 0.00 C ATOM 533 C LEU A 37 -4.104 -8.438 -2.694 1.00 0.00 C ATOM 534 O LEU A 37 -3.791 -7.642 -3.580 1.00 0.00 O ATOM 535 CB LEU A 37 -2.938 -8.267 -0.469 1.00 0.00 C ATOM 536 CG LEU A 37 -3.892 -8.718 0.638 1.00 0.00 C ATOM 537 CD1 LEU A 37 -3.545 -10.133 1.091 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.834 -7.745 1.807 1.00 0.00 C ATOM 0 H LEU A 37 -1.161 -8.242 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.318 -10.068 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.916 -8.348 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.120 -7.212 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.910 -8.726 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.232 -10.441 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.631 -10.817 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.524 -10.153 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.517 -8.075 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.819 -7.711 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.125 -6.751 1.468 1.00 0.00 H new ATOM 550 N ASN A 38 -5.353 -8.817 -2.491 1.00 0.00 N ATOM 551 CA ASN A 38 -6.414 -8.407 -3.401 1.00 0.00 C ATOM 552 C ASN A 38 -7.675 -8.078 -2.631 1.00 0.00 C ATOM 553 O ASN A 38 -7.809 -8.468 -1.478 1.00 0.00 O ATOM 554 CB ASN A 38 -6.714 -9.531 -4.389 1.00 0.00 C ATOM 555 CG ASN A 38 -7.428 -9.043 -5.639 1.00 0.00 C ATOM 556 OD1 ASN A 38 -8.656 -8.990 -5.681 1.00 0.00 O ATOM 557 ND2 ASN A 38 -6.666 -8.686 -6.660 1.00 0.00 N ATOM 0 H ASN A 38 -5.658 -9.402 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.080 -7.520 -3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.780 -10.015 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.327 -10.286 -3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.094 -8.351 -7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.651 -8.745 -6.584 1.00 0.00 H new ATOM 564 N ARG A 39 -8.609 -7.393 -3.279 1.00 0.00 N ATOM 565 CA ARG A 39 -9.899 -7.092 -2.669 1.00 0.00 C ATOM 566 C ARG A 39 -10.714 -8.368 -2.514 1.00 0.00 C ATOM 567 O ARG A 39 -11.598 -8.454 -1.667 1.00 0.00 O ATOM 568 CB ARG A 39 -10.674 -6.076 -3.511 1.00 0.00 C ATOM 569 CG ARG A 39 -9.991 -4.725 -3.612 1.00 0.00 C ATOM 570 CD ARG A 39 -10.809 -3.746 -4.441 1.00 0.00 C ATOM 571 NE ARG A 39 -10.191 -2.420 -4.504 1.00 0.00 N ATOM 572 CZ ARG A 39 -10.132 -1.685 -5.615 1.00 0.00 C ATOM 573 NH1 ARG A 39 -10.617 -2.166 -6.752 1.00 0.00 N ATOM 574 NH2 ARG A 39 -9.585 -0.474 -5.589 1.00 0.00 N ATOM 0 H ARG A 39 -8.498 -7.035 -4.228 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.720 -6.659 -1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.814 -6.479 -4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.666 -5.941 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.838 -4.318 -2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.005 -4.847 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.926 -4.138 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.808 -3.659 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.783 -2.037 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.034 -3.097 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.573 -1.605 -7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.208 -0.103 -4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.542 0.085 -6.441 1.00 0.00 H new ATOM 588 N ASP A 40 -10.410 -9.354 -3.349 1.00 0.00 N ATOM 589 CA ASP A 40 -11.041 -10.665 -3.249 1.00 0.00 C ATOM 590 C ASP A 40 -10.483 -11.418 -2.049 1.00 0.00 C ATOM 591 O ASP A 40 -11.157 -12.258 -1.451 1.00 0.00 O ATOM 592 CB ASP A 40 -10.808 -11.479 -4.527 1.00 0.00 C ATOM 593 CG ASP A 40 -11.375 -12.886 -4.435 1.00 0.00 C ATOM 594 OD1 ASP A 40 -12.608 -13.044 -4.524 1.00 0.00 O ATOM 595 OD2 ASP A 40 -10.586 -13.843 -4.271 1.00 0.00 O ATOM 0 H ASP A 40 -9.729 -9.271 -4.104 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.114 -10.522 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.264 -10.962 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.738 -11.535 -4.728 1.00 0.00 H new ATOM 600 N LEU A 41 -9.247 -11.093 -1.695 1.00 0.00 N ATOM 601 CA LEU A 41 -8.584 -11.728 -0.568 1.00 0.00 C ATOM 602 C LEU A 41 -8.912 -10.971 0.710 1.00 0.00 C ATOM 603 O LEU A 41 -9.342 -11.555 1.703 1.00 0.00 O ATOM 604 CB LEU A 41 -7.068 -11.756 -0.786 1.00 0.00 C ATOM 605 CG LEU A 41 -6.602 -12.472 -2.054 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.104 -12.308 -2.230 1.00 0.00 C ATOM 607 CD2 LEU A 41 -6.975 -13.945 -2.005 1.00 0.00 C ATOM 0 H LEU A 41 -8.683 -10.391 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.940 -12.754 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.703 -10.729 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.603 -12.237 0.075 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.104 -12.021 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.786 -12.823 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.861 -11.248 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.588 -12.735 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.635 -14.437 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.501 -14.412 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.057 -14.044 -1.922 1.00 0.00 H new ATOM 619 N CYS A 42 -8.705 -9.664 0.666 1.00 0.00 N ATOM 620 CA CYS A 42 -9.027 -8.791 1.786 1.00 0.00 C ATOM 621 C CYS A 42 -9.851 -7.594 1.316 1.00 0.00 C ATOM 622 O CYS A 42 -9.305 -6.597 0.840 1.00 0.00 O ATOM 623 CB CYS A 42 -7.747 -8.312 2.476 1.00 0.00 C ATOM 624 SG CYS A 42 -6.758 -9.650 3.186 1.00 0.00 S ATOM 0 H CYS A 42 -8.312 -9.180 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.619 -9.360 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.139 -7.766 1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.012 -7.609 3.266 1.00 0.00 H new ATOM 0 HG CYS A 42 -7.317 -10.792 2.918 1.00 0.00 H new ATOM 630 N PRO A 43 -11.187 -7.686 1.429 1.00 0.00 N ATOM 631 CA PRO A 43 -12.096 -6.612 1.009 1.00 0.00 C ATOM 632 C PRO A 43 -11.896 -5.338 1.824 1.00 0.00 C ATOM 633 O PRO A 43 -12.098 -4.226 1.332 1.00 0.00 O ATOM 634 CB PRO A 43 -13.495 -7.192 1.259 1.00 0.00 C ATOM 635 CG PRO A 43 -13.295 -8.665 1.396 1.00 0.00 C ATOM 636 CD PRO A 43 -11.920 -8.845 1.965 1.00 0.00 C ATOM 0 HA PRO A 43 -11.926 -6.323 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.940 -6.770 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.169 -6.962 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.049 -9.102 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.386 -9.162 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.931 -8.847 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.472 -9.787 1.649 1.00 0.00 H new ATOM 644 N ARG A 44 -11.457 -5.512 3.065 1.00 0.00 N ATOM 645 CA ARG A 44 -11.259 -4.397 3.985 1.00 0.00 C ATOM 646 C ARG A 44 -10.106 -3.503 3.531 1.00 0.00 C ATOM 647 O ARG A 44 -9.946 -2.382 4.013 1.00 0.00 O ATOM 648 CB ARG A 44 -10.972 -4.927 5.390 1.00 0.00 C ATOM 649 CG ARG A 44 -12.080 -5.801 5.959 1.00 0.00 C ATOM 650 CD ARG A 44 -11.635 -6.499 7.236 1.00 0.00 C ATOM 651 NE ARG A 44 -12.670 -7.376 7.783 1.00 0.00 N ATOM 652 CZ ARG A 44 -12.791 -8.671 7.487 1.00 0.00 C ATOM 653 NH1 ARG A 44 -12.004 -9.230 6.574 1.00 0.00 N ATOM 654 NH2 ARG A 44 -13.711 -9.402 8.101 1.00 0.00 N ATOM 0 H ARG A 44 -11.229 -6.424 3.461 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.172 -3.802 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.045 -5.501 5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.809 -4.083 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.959 -5.190 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.375 -6.545 5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.738 -7.083 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.366 -5.750 7.981 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.343 -6.971 8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.301 -8.668 6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.103 -10.221 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.322 -8.974 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.808 -10.393 7.878 1.00 0.00 H new ATOM 668 N LEU A 45 -9.307 -3.999 2.600 1.00 0.00 N ATOM 669 CA LEU A 45 -8.153 -3.259 2.111 1.00 0.00 C ATOM 670 C LEU A 45 -8.589 -2.125 1.192 1.00 0.00 C ATOM 671 O LEU A 45 -7.874 -1.144 1.029 1.00 0.00 O ATOM 672 CB LEU A 45 -7.192 -4.202 1.382 1.00 0.00 C ATOM 673 CG LEU A 45 -5.846 -3.593 0.994 1.00 0.00 C ATOM 674 CD1 LEU A 45 -5.057 -3.217 2.238 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.055 -4.559 0.126 1.00 0.00 C ATOM 0 H LEU A 45 -9.436 -4.913 2.166 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.635 -2.823 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.010 -5.070 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.682 -4.565 0.478 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.028 -2.687 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.100 -2.784 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.621 -2.489 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.883 -4.108 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.099 -4.109 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.880 -5.483 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.619 -4.778 -0.781 1.00 0.00 H new ATOM 687 N ALA A 46 -9.773 -2.252 0.609 1.00 0.00 N ATOM 688 CA ALA A 46 -10.325 -1.186 -0.216 1.00 0.00 C ATOM 689 C ALA A 46 -10.791 -0.026 0.657 1.00 0.00 C ATOM 690 O ALA A 46 -11.055 1.071 0.171 1.00 0.00 O ATOM 691 CB ALA A 46 -11.472 -1.706 -1.070 1.00 0.00 C ATOM 0 H ALA A 46 -10.367 -3.077 0.691 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.541 -0.826 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.870 -0.894 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.110 -2.502 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.259 -2.095 -0.424 1.00 0.00 H new ATOM 697 N GLU A 47 -10.881 -0.276 1.956 1.00 0.00 N ATOM 698 CA GLU A 47 -11.301 0.741 2.905 1.00 0.00 C ATOM 699 C GLU A 47 -10.095 1.474 3.477 1.00 0.00 C ATOM 700 O GLU A 47 -9.889 1.509 4.692 1.00 0.00 O ATOM 701 CB GLU A 47 -12.128 0.111 4.026 1.00 0.00 C ATOM 702 CG GLU A 47 -13.464 -0.439 3.556 1.00 0.00 C ATOM 703 CD GLU A 47 -14.370 0.636 2.992 1.00 0.00 C ATOM 704 OE1 GLU A 47 -15.110 1.263 3.776 1.00 0.00 O ATOM 705 OE2 GLU A 47 -14.359 0.851 1.761 1.00 0.00 O ATOM 0 H GLU A 47 -10.667 -1.180 2.377 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.923 1.467 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.553 -0.694 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.303 0.857 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.292 -1.200 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.965 -0.930 4.391 1.00 0.00 H new ATOM 712 N VAL A 48 -9.275 2.009 2.593 1.00 0.00 N ATOM 713 CA VAL A 48 -8.188 2.885 2.996 1.00 0.00 C ATOM 714 C VAL A 48 -8.471 4.313 2.540 1.00 0.00 C ATOM 715 O VAL A 48 -8.893 4.537 1.407 1.00 0.00 O ATOM 716 CB VAL A 48 -6.833 2.417 2.416 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.716 3.373 2.808 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.513 1.006 2.884 1.00 0.00 C ATOM 0 H VAL A 48 -9.340 1.853 1.587 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.122 2.850 4.083 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.912 2.414 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.773 3.022 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.937 4.368 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.637 3.414 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.556 0.692 2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.458 0.987 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.296 0.325 2.549 1.00 0.00 H new ATOM 728 N SER A 49 -8.265 5.272 3.427 1.00 0.00 N ATOM 729 CA SER A 49 -8.427 6.673 3.083 1.00 0.00 C ATOM 730 C SER A 49 -7.063 7.291 2.826 1.00 0.00 C ATOM 731 O SER A 49 -6.062 6.879 3.418 1.00 0.00 O ATOM 732 CB SER A 49 -9.167 7.408 4.201 1.00 0.00 C ATOM 733 OG SER A 49 -10.313 6.671 4.611 1.00 0.00 O ATOM 0 H SER A 49 -7.984 5.104 4.393 1.00 0.00 H new ATOM 0 HA SER A 49 -9.024 6.761 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.500 7.556 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.468 8.397 3.856 1.00 0.00 H new ATOM 0 HG SER A 49 -10.774 7.155 5.328 1.00 0.00 H new ATOM 739 N VAL A 50 -7.019 8.268 1.941 1.00 0.00 N ATOM 740 CA VAL A 50 -5.756 8.768 1.449 1.00 0.00 C ATOM 741 C VAL A 50 -5.752 10.294 1.348 1.00 0.00 C ATOM 742 O VAL A 50 -6.788 10.921 1.118 1.00 0.00 O ATOM 743 CB VAL A 50 -5.453 8.132 0.077 1.00 0.00 C ATOM 744 CG1 VAL A 50 -6.475 8.559 -0.958 1.00 0.00 C ATOM 745 CG2 VAL A 50 -4.050 8.453 -0.385 1.00 0.00 C ATOM 0 H VAL A 50 -7.842 8.728 1.551 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.977 8.492 2.159 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.522 7.051 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.238 8.096 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.469 8.245 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.454 9.644 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.871 7.989 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.934 9.533 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.332 8.069 0.339 1.00 0.00 H new ATOM 755 N GLU A 51 -4.582 10.876 1.556 1.00 0.00 N ATOM 756 CA GLU A 51 -4.401 12.314 1.484 1.00 0.00 C ATOM 757 C GLU A 51 -2.963 12.610 1.079 1.00 0.00 C ATOM 758 O GLU A 51 -2.042 11.937 1.528 1.00 0.00 O ATOM 759 CB GLU A 51 -4.711 12.934 2.845 1.00 0.00 C ATOM 760 CG GLU A 51 -4.878 14.438 2.821 1.00 0.00 C ATOM 761 CD GLU A 51 -5.361 14.976 4.150 1.00 0.00 C ATOM 762 OE1 GLU A 51 -6.527 14.705 4.514 1.00 0.00 O ATOM 763 OE2 GLU A 51 -4.577 15.660 4.845 1.00 0.00 O ATOM 0 H GLU A 51 -3.730 10.362 1.780 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.077 12.742 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.624 12.485 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.909 12.680 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.927 14.904 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.587 14.712 2.040 1.00 0.00 H new ATOM 770 N LEU A 52 -2.764 13.594 0.223 1.00 0.00 N ATOM 771 CA LEU A 52 -1.420 13.928 -0.233 1.00 0.00 C ATOM 772 C LEU A 52 -0.929 15.225 0.388 1.00 0.00 C ATOM 773 O LEU A 52 -1.575 16.268 0.301 1.00 0.00 O ATOM 774 CB LEU A 52 -1.349 14.019 -1.766 1.00 0.00 C ATOM 775 CG LEU A 52 -1.275 12.676 -2.510 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.597 11.925 -2.447 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.861 12.893 -3.953 1.00 0.00 C ATOM 0 H LEU A 52 -3.505 14.174 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.766 13.119 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.225 14.562 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.475 14.612 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.522 12.064 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.505 10.981 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.854 11.727 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.380 12.528 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.813 11.933 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.591 13.533 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.119 13.369 -3.983 1.00 0.00 H new ATOM 789 N ARG A 53 0.227 15.125 1.015 1.00 0.00 N ATOM 790 CA ARG A 53 0.930 16.257 1.584 1.00 0.00 C ATOM 791 C ARG A 53 2.205 16.464 0.775 1.00 0.00 C ATOM 792 O ARG A 53 2.690 15.516 0.160 1.00 0.00 O ATOM 793 CB ARG A 53 1.245 15.967 3.060 1.00 0.00 C ATOM 794 CG ARG A 53 2.183 16.961 3.724 1.00 0.00 C ATOM 795 CD ARG A 53 2.406 16.608 5.186 1.00 0.00 C ATOM 796 NE ARG A 53 3.476 17.404 5.786 1.00 0.00 N ATOM 797 CZ ARG A 53 3.422 17.935 7.007 1.00 0.00 C ATOM 798 NH1 ARG A 53 2.340 17.782 7.758 1.00 0.00 N ATOM 799 NH2 ARG A 53 4.458 18.614 7.481 1.00 0.00 N ATOM 0 H ARG A 53 0.713 14.238 1.145 1.00 0.00 H new ATOM 0 HA ARG A 53 0.326 17.163 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.309 15.945 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.683 14.972 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.138 16.971 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.767 17.966 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.482 16.766 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.651 15.549 5.270 1.00 0.00 H new ATOM 0 HE ARG A 53 4.319 17.563 5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.542 17.255 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.305 18.191 8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.296 18.730 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.417 19.021 8.416 1.00 0.00 H new ATOM 813 N MET A 54 2.739 17.681 0.743 1.00 0.00 N ATOM 814 CA MET A 54 3.932 17.947 -0.058 1.00 0.00 C ATOM 815 C MET A 54 5.109 17.087 0.411 1.00 0.00 C ATOM 816 O MET A 54 5.750 17.366 1.425 1.00 0.00 O ATOM 817 CB MET A 54 4.305 19.440 -0.056 1.00 0.00 C ATOM 818 CG MET A 54 4.593 20.032 1.316 1.00 0.00 C ATOM 819 SD MET A 54 5.204 21.728 1.212 1.00 0.00 S ATOM 820 CE MET A 54 5.542 22.079 2.936 1.00 0.00 C ATOM 0 H MET A 54 2.374 18.486 1.252 1.00 0.00 H new ATOM 0 HA MET A 54 3.698 17.675 -1.087 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.183 19.580 -0.686 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.491 20.002 -0.514 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.684 20.011 1.917 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.329 19.413 1.830 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.927 23.094 3.032 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.623 21.983 3.514 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.282 21.373 3.313 1.00 0.00 H new ATOM 830 N GLY A 55 5.352 16.005 -0.317 1.00 0.00 N ATOM 831 CA GLY A 55 6.453 15.124 0.000 1.00 0.00 C ATOM 832 C GLY A 55 6.045 13.950 0.873 1.00 0.00 C ATOM 833 O GLY A 55 6.881 13.106 1.203 1.00 0.00 O ATOM 0 H GLY A 55 4.800 15.722 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.887 14.747 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.231 15.693 0.508 1.00 0.00 H new ATOM 837 N TYR A 56 4.766 13.869 1.232 1.00 0.00 N ATOM 838 CA TYR A 56 4.297 12.807 2.116 1.00 0.00 C ATOM 839 C TYR A 56 2.911 12.327 1.724 1.00 0.00 C ATOM 840 O TYR A 56 2.028 13.119 1.406 1.00 0.00 O ATOM 841 CB TYR A 56 4.278 13.270 3.576 1.00 0.00 C ATOM 842 CG TYR A 56 5.617 13.163 4.270 1.00 0.00 C ATOM 843 CD1 TYR A 56 6.065 11.940 4.753 1.00 0.00 C ATOM 844 CD2 TYR A 56 6.428 14.278 4.449 1.00 0.00 C ATOM 845 CE1 TYR A 56 7.283 11.830 5.394 1.00 0.00 C ATOM 846 CE2 TYR A 56 7.649 14.175 5.089 1.00 0.00 C ATOM 847 CZ TYR A 56 8.071 12.948 5.559 1.00 0.00 C ATOM 848 OH TYR A 56 9.285 12.840 6.197 1.00 0.00 O ATOM 0 H TYR A 56 4.042 14.520 0.927 1.00 0.00 H new ATOM 0 HA TYR A 56 4.998 11.979 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.942 14.306 3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.547 12.677 4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.451 11.061 4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.099 15.239 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.616 10.872 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.269 15.050 5.220 1.00 0.00 H new ATOM 0 HH TYR A 56 9.717 13.719 6.230 1.00 0.00 H new ATOM 858 N LEU A 57 2.730 11.025 1.753 1.00 0.00 N ATOM 859 CA LEU A 57 1.441 10.424 1.494 1.00 0.00 C ATOM 860 C LEU A 57 0.785 10.059 2.817 1.00 0.00 C ATOM 861 O LEU A 57 1.281 9.202 3.548 1.00 0.00 O ATOM 862 CB LEU A 57 1.604 9.180 0.623 1.00 0.00 C ATOM 863 CG LEU A 57 0.305 8.588 0.079 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.353 9.549 -0.893 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.578 7.255 -0.591 1.00 0.00 C ATOM 0 H LEU A 57 3.471 10.354 1.956 1.00 0.00 H new ATOM 0 HA LEU A 57 0.810 11.135 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.251 9.428 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.117 8.414 1.205 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.379 8.425 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.277 9.110 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.578 10.485 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.323 9.743 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.355 6.843 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.277 7.398 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.008 6.565 0.134 1.00 0.00 H new ATOM 877 N VAL A 58 -0.317 10.722 3.118 1.00 0.00 N ATOM 878 CA VAL A 58 -0.998 10.553 4.389 1.00 0.00 C ATOM 879 C VAL A 58 -2.143 9.552 4.264 1.00 0.00 C ATOM 880 O VAL A 58 -3.239 9.891 3.820 1.00 0.00 O ATOM 881 CB VAL A 58 -1.546 11.903 4.904 1.00 0.00 C ATOM 882 CG1 VAL A 58 -2.274 11.733 6.229 1.00 0.00 C ATOM 883 CG2 VAL A 58 -0.418 12.921 5.031 1.00 0.00 C ATOM 0 H VAL A 58 -0.764 11.391 2.491 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.270 10.170 5.104 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.267 12.275 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.648 12.700 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.110 11.046 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.586 11.331 6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.820 13.866 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.329 12.551 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.045 13.075 4.056 1.00 0.00 H new ATOM 893 N LEU A 59 -1.869 8.311 4.624 1.00 0.00 N ATOM 894 CA LEU A 59 -2.895 7.280 4.638 1.00 0.00 C ATOM 895 C LEU A 59 -3.602 7.289 5.982 1.00 0.00 C ATOM 896 O LEU A 59 -2.981 7.540 7.010 1.00 0.00 O ATOM 897 CB LEU A 59 -2.295 5.890 4.380 1.00 0.00 C ATOM 898 CG LEU A 59 -1.883 5.596 2.934 1.00 0.00 C ATOM 899 CD1 LEU A 59 -0.646 6.385 2.556 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.644 4.106 2.743 1.00 0.00 C ATOM 0 H LEU A 59 -0.944 7.991 4.911 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.606 7.495 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.420 5.769 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.021 5.139 4.690 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.697 5.904 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.372 6.160 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.851 7.451 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.176 6.112 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.352 3.914 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.849 3.776 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.559 3.559 2.969 1.00 0.00 H new ATOM 912 N LYS A 60 -4.896 7.041 5.974 1.00 0.00 N ATOM 913 CA LYS A 60 -5.680 6.992 7.200 1.00 0.00 C ATOM 914 C LYS A 60 -6.684 5.854 7.103 1.00 0.00 C ATOM 915 O LYS A 60 -7.375 5.729 6.092 1.00 0.00 O ATOM 916 CB LYS A 60 -6.397 8.330 7.429 1.00 0.00 C ATOM 917 CG LYS A 60 -5.449 9.465 7.793 1.00 0.00 C ATOM 918 CD LYS A 60 -6.144 10.820 7.819 1.00 0.00 C ATOM 919 CE LYS A 60 -6.512 11.299 6.421 1.00 0.00 C ATOM 920 NZ LYS A 60 -6.999 12.707 6.432 1.00 0.00 N ATOM 0 H LYS A 60 -5.435 6.868 5.125 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.019 6.816 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.946 8.599 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.132 8.209 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.009 9.267 8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.630 9.494 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.045 10.754 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.492 11.553 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.643 11.220 5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.283 10.650 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.648 13.202 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.039 12.715 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.650 13.188 7.286 1.00 0.00 H new ATOM 934 N ALA A 61 -6.765 5.007 8.121 1.00 0.00 N ATOM 935 CA ALA A 61 -7.641 3.844 8.019 1.00 0.00 C ATOM 936 C ALA A 61 -8.782 3.885 9.027 1.00 0.00 C ATOM 937 O ALA A 61 -8.627 4.378 10.135 1.00 0.00 O ATOM 938 CB ALA A 61 -6.845 2.561 8.185 1.00 0.00 C ATOM 0 H ALA A 61 -6.254 5.096 8.999 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.085 3.869 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.515 1.705 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.085 2.501 7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.363 2.556 9.163 1.00 0.00 H new ATOM 944 N PRO A 62 -9.961 3.384 8.642 1.00 0.00 N ATOM 945 CA PRO A 62 -11.062 3.187 9.579 1.00 0.00 C ATOM 946 C PRO A 62 -10.660 2.210 10.676 1.00 0.00 C ATOM 947 O PRO A 62 -10.661 0.992 10.474 1.00 0.00 O ATOM 948 CB PRO A 62 -12.187 2.603 8.718 1.00 0.00 C ATOM 949 CG PRO A 62 -11.827 2.951 7.316 1.00 0.00 C ATOM 950 CD PRO A 62 -10.326 3.005 7.271 1.00 0.00 C ATOM 0 HA PRO A 62 -11.357 4.108 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.263 1.524 8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.153 3.026 8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.211 2.206 6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.260 3.909 7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.897 2.043 6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.971 3.735 6.544 1.00 0.00 H new ATOM 958 N GLY A 63 -10.262 2.749 11.815 1.00 0.00 N ATOM 959 CA GLY A 63 -9.800 1.920 12.906 1.00 0.00 C ATOM 960 C GLY A 63 -8.329 2.130 13.205 1.00 0.00 C ATOM 961 O GLY A 63 -7.906 2.032 14.357 1.00 0.00 O ATOM 0 H GLY A 63 -10.250 3.751 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.385 2.140 13.799 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.973 0.872 12.661 1.00 0.00 H new ATOM 965 N MET A 64 -7.547 2.435 12.173 1.00 0.00 N ATOM 966 CA MET A 64 -6.106 2.613 12.341 1.00 0.00 C ATOM 967 C MET A 64 -5.714 4.042 12.022 1.00 0.00 C ATOM 968 O MET A 64 -6.373 4.729 11.246 1.00 0.00 O ATOM 969 CB MET A 64 -5.294 1.637 11.468 1.00 0.00 C ATOM 970 CG MET A 64 -5.646 0.175 11.678 1.00 0.00 C ATOM 971 SD MET A 64 -5.788 -0.247 13.428 1.00 0.00 S ATOM 972 CE MET A 64 -6.677 -1.797 13.343 1.00 0.00 C ATOM 0 H MET A 64 -7.882 2.563 11.218 1.00 0.00 H new ATOM 0 HA MET A 64 -5.872 2.394 13.383 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.449 1.890 10.419 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.233 1.777 11.676 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.587 -0.046 11.175 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.883 -0.451 11.216 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.689 -1.657 13.723 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.722 -2.134 12.307 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.163 -2.545 13.946 1.00 0.00 H new ATOM 982 N LEU A 65 -4.617 4.463 12.606 1.00 0.00 N ATOM 983 CA LEU A 65 -4.197 5.849 12.566 1.00 0.00 C ATOM 984 C LEU A 65 -3.742 6.265 11.161 1.00 0.00 C ATOM 985 O LEU A 65 -4.176 5.698 10.143 1.00 0.00 O ATOM 986 CB LEU A 65 -3.059 6.065 13.574 1.00 0.00 C ATOM 987 CG LEU A 65 -3.315 5.530 14.991 1.00 0.00 C ATOM 988 CD1 LEU A 65 -3.037 4.032 15.078 1.00 0.00 C ATOM 989 CD2 LEU A 65 -2.467 6.277 16.000 1.00 0.00 C ATOM 0 H LEU A 65 -3.986 3.853 13.125 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.052 6.472 12.831 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.158 5.592 13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.855 7.134 13.640 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.368 5.693 15.222 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.228 3.685 16.094 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.688 3.500 14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.996 3.839 14.818 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.661 5.886 16.999 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.413 6.146 15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.717 7.338 15.971 1.00 0.00 H new ATOM 1001 N ARG A 66 -2.881 7.270 11.120 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.333 7.767 9.872 1.00 0.00 C ATOM 1003 C ARG A 66 -0.997 7.106 9.572 1.00 0.00 C ATOM 1004 O ARG A 66 -0.218 6.808 10.477 1.00 0.00 O ATOM 1005 CB ARG A 66 -2.166 9.291 9.928 1.00 0.00 C ATOM 1006 CG ARG A 66 -1.419 9.773 11.164 1.00 0.00 C ATOM 1007 CD ARG A 66 -1.263 11.284 11.184 1.00 0.00 C ATOM 1008 NE ARG A 66 -0.206 11.756 10.289 1.00 0.00 N ATOM 1009 CZ ARG A 66 0.334 12.974 10.363 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -0.112 13.850 11.252 1.00 0.00 N ATOM 1011 NH2 ARG A 66 1.309 13.321 9.539 1.00 0.00 N ATOM 0 H ARG A 66 -2.545 7.761 11.948 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.031 7.520 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.632 9.623 9.038 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.151 9.758 9.903 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.953 9.452 12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.434 9.307 11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.208 11.746 10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.044 11.609 12.201 1.00 0.00 H new ATOM 0 HE ARG A 66 0.137 11.119 9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.871 13.594 11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.304 14.780 11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.650 12.657 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.719 14.253 9.598 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.749 6.882 8.300 1.00 0.00 N ATOM 1026 CA LEU A 67 0.506 6.322 7.844 1.00 0.00 C ATOM 1027 C LEU A 67 1.158 7.285 6.867 1.00 0.00 C ATOM 1028 O LEU A 67 0.618 7.546 5.791 1.00 0.00 O ATOM 1029 CB LEU A 67 0.284 4.961 7.177 1.00 0.00 C ATOM 1030 CG LEU A 67 1.517 4.363 6.494 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.608 4.064 7.513 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.138 3.107 5.730 1.00 0.00 C ATOM 0 H LEU A 67 -1.412 7.083 7.551 1.00 0.00 H new ATOM 0 HA LEU A 67 1.161 6.173 8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.071 4.258 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.509 5.062 6.436 1.00 0.00 H new ATOM 0 HG LEU A 67 1.908 5.095 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.474 3.640 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.898 4.986 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.234 3.352 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.024 2.692 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.722 2.373 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.395 3.353 4.971 1.00 0.00 H new ATOM 1044 N ASP A 68 2.300 7.824 7.258 1.00 0.00 N ATOM 1045 CA ASP A 68 2.995 8.816 6.452 1.00 0.00 C ATOM 1046 C ASP A 68 4.053 8.157 5.583 1.00 0.00 C ATOM 1047 O ASP A 68 5.128 7.789 6.062 1.00 0.00 O ATOM 1048 CB ASP A 68 3.646 9.875 7.348 1.00 0.00 C ATOM 1049 CG ASP A 68 2.631 10.668 8.146 1.00 0.00 C ATOM 1050 OD1 ASP A 68 2.231 10.214 9.242 1.00 0.00 O ATOM 1051 OD2 ASP A 68 2.235 11.758 7.690 1.00 0.00 O ATOM 0 H ASP A 68 2.769 7.590 8.133 1.00 0.00 H new ATOM 0 HA ASP A 68 2.262 9.300 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.341 9.389 8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.231 10.557 6.731 1.00 0.00 H new ATOM 1056 N ILE A 69 3.735 7.991 4.310 1.00 0.00 N ATOM 1057 CA ILE A 69 4.671 7.420 3.356 1.00 0.00 C ATOM 1058 C ILE A 69 5.364 8.536 2.584 1.00 0.00 C ATOM 1059 O ILE A 69 4.713 9.301 1.877 1.00 0.00 O ATOM 1060 CB ILE A 69 3.963 6.472 2.363 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.264 5.338 3.119 1.00 0.00 C ATOM 1062 CG2 ILE A 69 4.960 5.905 1.361 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.484 4.402 2.222 1.00 0.00 C ATOM 0 H ILE A 69 2.831 8.245 3.912 1.00 0.00 H new ATOM 0 HA ILE A 69 5.405 6.840 3.915 1.00 0.00 H new ATOM 0 HB ILE A 69 3.212 7.042 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.011 4.764 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.587 5.768 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.443 5.240 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.420 6.721 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.732 5.348 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.016 3.625 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.714 4.963 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.159 3.943 1.500 1.00 0.00 H new ATOM 1075 N PRO A 70 6.686 8.665 2.728 1.00 0.00 N ATOM 1076 CA PRO A 70 7.446 9.721 2.060 1.00 0.00 C ATOM 1077 C PRO A 70 7.379 9.605 0.539 1.00 0.00 C ATOM 1078 O PRO A 70 7.799 8.604 -0.039 1.00 0.00 O ATOM 1079 CB PRO A 70 8.881 9.507 2.559 1.00 0.00 C ATOM 1080 CG PRO A 70 8.747 8.665 3.783 1.00 0.00 C ATOM 1081 CD PRO A 70 7.545 7.800 3.550 1.00 0.00 C ATOM 0 HA PRO A 70 7.053 10.712 2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.491 9.010 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.365 10.457 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.640 8.060 3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.618 9.283 4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.804 6.876 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.061 7.517 4.485 1.00 0.00 H new ATOM 1089 N LEU A 71 6.850 10.636 -0.102 1.00 0.00 N ATOM 1090 CA LEU A 71 6.732 10.653 -1.554 1.00 0.00 C ATOM 1091 C LEU A 71 8.050 11.087 -2.179 1.00 0.00 C ATOM 1092 O LEU A 71 8.350 10.758 -3.326 1.00 0.00 O ATOM 1093 CB LEU A 71 5.611 11.599 -1.991 1.00 0.00 C ATOM 1094 CG LEU A 71 4.199 11.181 -1.574 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.199 12.264 -1.945 1.00 0.00 C ATOM 1096 CD2 LEU A 71 3.822 9.858 -2.224 1.00 0.00 C ATOM 0 H LEU A 71 6.495 11.473 0.360 1.00 0.00 H new ATOM 0 HA LEU A 71 6.490 9.646 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.814 12.589 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.639 11.691 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 71 4.180 11.048 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.199 11.954 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.461 13.191 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.219 12.424 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.815 9.576 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.854 9.963 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.526 9.086 -1.913 1.00 0.00 H new ATOM 1217 N VAL A 80 13.217 -2.113 1.733 1.00 0.00 N ATOM 1218 CA VAL A 80 13.634 -3.445 1.352 1.00 0.00 C ATOM 1219 C VAL A 80 12.921 -3.897 0.088 1.00 0.00 C ATOM 1220 O VAL A 80 11.696 -3.990 0.048 1.00 0.00 O ATOM 1221 CB VAL A 80 13.364 -4.445 2.487 1.00 0.00 C ATOM 1222 CG1 VAL A 80 14.034 -5.781 2.200 1.00 0.00 C ATOM 1223 CG2 VAL A 80 13.834 -3.868 3.817 1.00 0.00 C ATOM 0 HA VAL A 80 14.706 -3.413 1.156 1.00 0.00 H new ATOM 0 HB VAL A 80 12.290 -4.621 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.830 -6.473 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.643 -6.192 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.110 -5.636 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.638 -4.585 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.904 -3.664 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.297 -2.942 4.022 1.00 0.00 H new ATOM 1233 N ARG A 81 13.696 -4.160 -0.947 1.00 0.00 N ATOM 1234 CA ARG A 81 13.153 -4.641 -2.202 1.00 0.00 C ATOM 1235 C ARG A 81 13.026 -6.155 -2.164 1.00 0.00 C ATOM 1236 O ARG A 81 14.026 -6.869 -2.105 1.00 0.00 O ATOM 1237 CB ARG A 81 14.047 -4.207 -3.360 1.00 0.00 C ATOM 1238 CG ARG A 81 14.089 -2.702 -3.551 1.00 0.00 C ATOM 1239 CD ARG A 81 15.086 -2.300 -4.619 1.00 0.00 C ATOM 1240 NE ARG A 81 14.877 -3.031 -5.864 1.00 0.00 N ATOM 1241 CZ ARG A 81 15.649 -2.904 -6.939 1.00 0.00 C ATOM 1242 NH1 ARG A 81 16.634 -2.014 -6.954 1.00 0.00 N ATOM 1243 NH2 ARG A 81 15.432 -3.663 -8.002 1.00 0.00 N ATOM 0 H ARG A 81 14.710 -4.048 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 81 12.162 -4.212 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.059 -4.573 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.692 -4.674 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.097 -2.342 -3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.353 -2.223 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.003 -1.230 -4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.098 -2.482 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 81 14.091 -3.679 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.801 -1.424 -6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.224 -1.920 -7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.673 -4.344 -7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.024 -3.566 -8.827 1.00 0.00 H new ATOM 1257 N TYR A 82 11.796 -6.634 -2.179 1.00 0.00 N ATOM 1258 CA TYR A 82 11.526 -8.059 -2.111 1.00 0.00 C ATOM 1259 C TYR A 82 11.204 -8.603 -3.492 1.00 0.00 C ATOM 1260 O TYR A 82 10.419 -8.010 -4.233 1.00 0.00 O ATOM 1261 CB TYR A 82 10.345 -8.351 -1.180 1.00 0.00 C ATOM 1262 CG TYR A 82 10.575 -8.002 0.272 1.00 0.00 C ATOM 1263 CD1 TYR A 82 11.190 -8.903 1.133 1.00 0.00 C ATOM 1264 CD2 TYR A 82 10.161 -6.780 0.787 1.00 0.00 C ATOM 1265 CE1 TYR A 82 11.389 -8.593 2.464 1.00 0.00 C ATOM 1266 CE2 TYR A 82 10.355 -6.465 2.117 1.00 0.00 C ATOM 1267 CZ TYR A 82 10.969 -7.374 2.952 1.00 0.00 C ATOM 1268 OH TYR A 82 11.164 -7.062 4.279 1.00 0.00 O ATOM 0 H TYR A 82 10.961 -6.051 -2.238 1.00 0.00 H new ATOM 0 HA TYR A 82 12.420 -8.544 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.475 -7.800 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.101 -9.411 -1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.517 -9.860 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.680 -6.065 0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.872 -9.303 3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.027 -5.511 2.502 1.00 0.00 H new ATOM 0 HH TYR A 82 10.812 -6.166 4.459 1.00 0.00 H new ATOM 1278 N GLN A 83 11.821 -9.718 -3.841 1.00 0.00 N ATOM 1279 CA GLN A 83 11.442 -10.441 -5.038 1.00 0.00 C ATOM 1280 C GLN A 83 10.200 -11.268 -4.731 1.00 0.00 C ATOM 1281 O GLN A 83 10.286 -12.341 -4.134 1.00 0.00 O ATOM 1282 CB GLN A 83 12.594 -11.327 -5.520 1.00 0.00 C ATOM 1283 CG GLN A 83 13.831 -10.535 -5.919 1.00 0.00 C ATOM 1284 CD GLN A 83 14.984 -11.419 -6.342 1.00 0.00 C ATOM 1285 OE1 GLN A 83 15.812 -11.821 -5.521 1.00 0.00 O ATOM 1286 NE2 GLN A 83 15.053 -11.717 -7.629 1.00 0.00 N ATOM 0 H GLN A 83 12.585 -10.140 -3.313 1.00 0.00 H new ATOM 0 HA GLN A 83 11.218 -9.739 -5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 83 12.859 -12.029 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.258 -11.918 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.577 -9.861 -6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.145 -9.914 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 83 14.346 -11.363 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.813 -12.301 -7.977 1.00 0.00 H new ATOM 1295 N MET A 84 9.049 -10.742 -5.114 1.00 0.00 N ATOM 1296 CA MET A 84 7.777 -11.322 -4.733 1.00 0.00 C ATOM 1297 C MET A 84 7.333 -12.338 -5.765 1.00 0.00 C ATOM 1298 O MET A 84 7.688 -12.235 -6.940 1.00 0.00 O ATOM 1299 CB MET A 84 6.723 -10.223 -4.590 1.00 0.00 C ATOM 1300 CG MET A 84 6.102 -10.143 -3.204 1.00 0.00 C ATOM 1301 SD MET A 84 7.322 -9.875 -1.902 1.00 0.00 S ATOM 1302 CE MET A 84 6.262 -9.685 -0.470 1.00 0.00 C ATOM 0 H MET A 84 8.972 -9.906 -5.694 1.00 0.00 H new ATOM 0 HA MET A 84 7.895 -11.827 -3.774 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.179 -9.262 -4.829 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.934 -10.392 -5.322 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.373 -9.333 -3.184 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.558 -11.066 -3.001 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.460 -8.724 0.004 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.218 -9.728 -0.782 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.462 -10.488 0.240 1.00 0.00 H new ATOM 1312 N LEU A 85 6.539 -13.300 -5.335 1.00 0.00 N ATOM 1313 CA LEU A 85 6.106 -14.358 -6.209 1.00 0.00 C ATOM 1314 C LEU A 85 4.605 -14.276 -6.395 1.00 0.00 C ATOM 1315 O LEU A 85 3.827 -14.887 -5.662 1.00 0.00 O ATOM 1316 CB LEU A 85 6.492 -15.728 -5.661 1.00 0.00 C ATOM 1317 CG LEU A 85 6.132 -16.900 -6.573 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.053 -16.941 -7.783 1.00 0.00 C ATOM 1319 CD2 LEU A 85 6.192 -18.204 -5.804 1.00 0.00 C ATOM 0 H LEU A 85 6.183 -13.365 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 85 6.604 -14.234 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.567 -15.743 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.003 -15.871 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 85 5.112 -16.760 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.780 -17.783 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.955 -16.013 -8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.085 -17.057 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.933 -19.030 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.200 -18.352 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.486 -18.170 -4.974 1.00 0.00 H new ATOM 1331 N VAL A 86 4.211 -13.476 -7.355 1.00 0.00 N ATOM 1332 CA VAL A 86 2.802 -13.280 -7.655 1.00 0.00 C ATOM 1333 C VAL A 86 2.273 -14.485 -8.419 1.00 0.00 C ATOM 1334 O VAL A 86 2.264 -14.497 -9.651 1.00 0.00 O ATOM 1335 CB VAL A 86 2.570 -11.999 -8.484 1.00 0.00 C ATOM 1336 CG1 VAL A 86 1.103 -11.592 -8.463 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.448 -10.869 -7.975 1.00 0.00 C ATOM 0 H VAL A 86 4.846 -12.944 -7.949 1.00 0.00 H new ATOM 0 HA VAL A 86 2.268 -13.170 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 86 2.844 -12.210 -9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.968 -10.687 -9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.497 -12.394 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.792 -11.403 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.271 -9.974 -8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.208 -10.663 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.496 -11.158 -8.056 1.00 0.00 H new ATOM 1347 N GLY A 87 1.882 -15.514 -7.679 1.00 0.00 N ATOM 1348 CA GLY A 87 1.449 -16.751 -8.296 1.00 0.00 C ATOM 1349 C GLY A 87 2.637 -17.578 -8.745 1.00 0.00 C ATOM 1350 O GLY A 87 3.024 -18.539 -8.085 1.00 0.00 O ATOM 0 H GLY A 87 1.857 -15.513 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.849 -17.324 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.810 -16.531 -9.151 1.00 0.00 H new ATOM 1354 N GLU A 88 3.211 -17.193 -9.874 1.00 0.00 N ATOM 1355 CA GLU A 88 4.435 -17.802 -10.377 1.00 0.00 C ATOM 1356 C GLU A 88 5.316 -16.752 -11.048 1.00 0.00 C ATOM 1357 O GLU A 88 6.253 -17.081 -11.775 1.00 0.00 O ATOM 1358 CB GLU A 88 4.120 -18.949 -11.351 1.00 0.00 C ATOM 1359 CG GLU A 88 2.806 -18.800 -12.117 1.00 0.00 C ATOM 1360 CD GLU A 88 2.689 -17.499 -12.881 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.219 -17.412 -14.008 1.00 0.00 O ATOM 1362 OE2 GLU A 88 2.057 -16.559 -12.357 1.00 0.00 O ATOM 0 H GLU A 88 2.843 -16.450 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 88 4.979 -18.221 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.935 -19.030 -12.070 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.094 -19.884 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.707 -19.631 -12.815 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.976 -18.874 -11.414 1.00 0.00 H new ATOM 1369 N GLN A 89 5.028 -15.481 -10.787 1.00 0.00 N ATOM 1370 CA GLN A 89 5.769 -14.398 -11.413 1.00 0.00 C ATOM 1371 C GLN A 89 6.620 -13.662 -10.385 1.00 0.00 C ATOM 1372 O GLN A 89 6.096 -12.960 -9.515 1.00 0.00 O ATOM 1373 CB GLN A 89 4.805 -13.436 -12.107 1.00 0.00 C ATOM 1374 CG GLN A 89 5.497 -12.362 -12.932 1.00 0.00 C ATOM 1375 CD GLN A 89 4.538 -11.584 -13.816 1.00 0.00 C ATOM 1376 OE1 GLN A 89 4.920 -11.092 -14.879 1.00 0.00 O ATOM 1377 NE2 GLN A 89 3.287 -11.473 -13.396 1.00 0.00 N ATOM 0 H GLN A 89 4.291 -15.179 -10.150 1.00 0.00 H new ATOM 0 HA GLN A 89 6.439 -14.821 -12.162 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.141 -14.007 -12.755 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.180 -12.956 -11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.008 -11.670 -12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.262 -12.826 -13.555 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.007 -11.894 -12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.603 -10.967 -13.959 1.00 0.00 H new ATOM 1386 N THR A 90 7.930 -13.852 -10.479 1.00 0.00 N ATOM 1387 CA THR A 90 8.871 -13.201 -9.583 1.00 0.00 C ATOM 1388 C THR A 90 9.128 -11.764 -10.030 1.00 0.00 C ATOM 1389 O THR A 90 9.687 -11.528 -11.104 1.00 0.00 O ATOM 1390 CB THR A 90 10.206 -13.967 -9.544 1.00 0.00 C ATOM 1391 OG1 THR A 90 9.947 -15.372 -9.416 1.00 0.00 O ATOM 1392 CG2 THR A 90 11.068 -13.497 -8.380 1.00 0.00 C ATOM 0 H THR A 90 8.366 -14.458 -11.174 1.00 0.00 H new ATOM 0 HA THR A 90 8.433 -13.196 -8.585 1.00 0.00 H new ATOM 0 HB THR A 90 10.745 -13.773 -10.471 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.796 -15.860 -9.393 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.006 -14.053 -8.374 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.278 -12.433 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.539 -13.668 -7.443 1.00 0.00 H new ATOM 1400 N VAL A 91 8.707 -10.809 -9.215 1.00 0.00 N ATOM 1401 CA VAL A 91 8.843 -9.399 -9.549 1.00 0.00 C ATOM 1402 C VAL A 91 9.371 -8.595 -8.362 1.00 0.00 C ATOM 1403 O VAL A 91 9.265 -9.027 -7.216 1.00 0.00 O ATOM 1404 CB VAL A 91 7.505 -8.804 -10.039 1.00 0.00 C ATOM 1405 CG1 VAL A 91 7.202 -9.280 -11.452 1.00 0.00 C ATOM 1406 CG2 VAL A 91 6.365 -9.187 -9.107 1.00 0.00 C ATOM 0 H VAL A 91 8.266 -10.986 -8.313 1.00 0.00 H new ATOM 0 HA VAL A 91 9.567 -9.332 -10.361 1.00 0.00 H new ATOM 0 HB VAL A 91 7.599 -7.718 -10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.256 -8.853 -11.785 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.000 -8.961 -12.122 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.133 -10.368 -11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.434 -8.755 -9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.273 -10.273 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.570 -8.808 -8.106 1.00 0.00 H new ATOM 1416 N ASP A 92 9.930 -7.423 -8.650 1.00 0.00 N ATOM 1417 CA ASP A 92 10.583 -6.604 -7.630 1.00 0.00 C ATOM 1418 C ASP A 92 9.599 -5.617 -7.014 1.00 0.00 C ATOM 1419 O ASP A 92 9.107 -4.708 -7.690 1.00 0.00 O ATOM 1420 CB ASP A 92 11.759 -5.842 -8.253 1.00 0.00 C ATOM 1421 CG ASP A 92 12.690 -5.220 -7.227 1.00 0.00 C ATOM 1422 OD1 ASP A 92 12.348 -4.173 -6.644 1.00 0.00 O ATOM 1423 OD2 ASP A 92 13.799 -5.760 -7.035 1.00 0.00 O ATOM 0 H ASP A 92 9.944 -7.017 -9.585 1.00 0.00 H new ATOM 0 HA ASP A 92 10.950 -7.262 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.330 -6.523 -8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.370 -5.057 -8.902 1.00 0.00 H new ATOM 1428 N VAL A 93 9.295 -5.810 -5.741 1.00 0.00 N ATOM 1429 CA VAL A 93 8.416 -4.901 -5.021 1.00 0.00 C ATOM 1430 C VAL A 93 9.155 -4.293 -3.834 1.00 0.00 C ATOM 1431 O VAL A 93 9.883 -4.986 -3.121 1.00 0.00 O ATOM 1432 CB VAL A 93 7.128 -5.604 -4.535 1.00 0.00 C ATOM 1433 CG1 VAL A 93 6.320 -6.131 -5.710 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.455 -6.733 -3.574 1.00 0.00 C ATOM 0 H VAL A 93 9.644 -6.589 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 93 8.120 -4.113 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 93 6.526 -4.865 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.419 -6.621 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.042 -5.302 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.919 -6.848 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.532 -7.211 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.086 -7.467 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.983 -6.333 -2.708 1.00 0.00 H new ATOM 1444 N VAL A 94 8.982 -2.998 -3.630 1.00 0.00 N ATOM 1445 CA VAL A 94 9.699 -2.302 -2.575 1.00 0.00 C ATOM 1446 C VAL A 94 8.823 -2.125 -1.343 1.00 0.00 C ATOM 1447 O VAL A 94 7.680 -1.686 -1.449 1.00 0.00 O ATOM 1448 CB VAL A 94 10.188 -0.917 -3.039 1.00 0.00 C ATOM 1449 CG1 VAL A 94 11.206 -0.362 -2.058 1.00 0.00 C ATOM 1450 CG2 VAL A 94 10.773 -0.988 -4.442 1.00 0.00 C ATOM 0 H VAL A 94 8.354 -2.410 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 94 10.562 -2.918 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 94 9.332 -0.243 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.543 0.617 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.748 -0.266 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.059 -1.038 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.111 0.003 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.617 -1.677 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.011 -1.340 -5.137 1.00 0.00 H new ATOM 1460 N ASP A 95 9.358 -2.498 -0.191 1.00 0.00 N ATOM 1461 CA ASP A 95 8.675 -2.294 1.081 1.00 0.00 C ATOM 1462 C ASP A 95 8.738 -0.827 1.466 1.00 0.00 C ATOM 1463 O ASP A 95 9.821 -0.274 1.638 1.00 0.00 O ATOM 1464 CB ASP A 95 9.330 -3.150 2.168 1.00 0.00 C ATOM 1465 CG ASP A 95 8.681 -2.996 3.533 1.00 0.00 C ATOM 1466 OD1 ASP A 95 7.609 -2.367 3.629 1.00 0.00 O ATOM 1467 OD2 ASP A 95 9.230 -3.542 4.510 1.00 0.00 O ATOM 0 H ASP A 95 10.270 -2.947 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 95 7.631 -2.591 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.287 -4.198 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.384 -2.883 2.243 1.00 0.00 H new ATOM 1472 N GLU A 96 7.577 -0.206 1.609 1.00 0.00 N ATOM 1473 CA GLU A 96 7.511 1.211 1.929 1.00 0.00 C ATOM 1474 C GLU A 96 7.873 1.459 3.394 1.00 0.00 C ATOM 1475 O GLU A 96 8.003 2.605 3.826 1.00 0.00 O ATOM 1476 CB GLU A 96 6.118 1.765 1.623 1.00 0.00 C ATOM 1477 CG GLU A 96 5.665 1.537 0.188 1.00 0.00 C ATOM 1478 CD GLU A 96 6.624 2.107 -0.841 1.00 0.00 C ATOM 1479 OE1 GLU A 96 6.541 3.317 -1.141 1.00 0.00 O ATOM 1480 OE2 GLU A 96 7.448 1.341 -1.383 1.00 0.00 O ATOM 0 H GLU A 96 6.669 -0.660 1.509 1.00 0.00 H new ATOM 0 HA GLU A 96 8.238 1.732 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.398 1.304 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.110 2.835 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.552 0.467 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.683 1.988 0.048 1.00 0.00 H new ATOM 1487 N GLY A 97 8.022 0.384 4.159 1.00 0.00 N ATOM 1488 CA GLY A 97 8.467 0.516 5.528 1.00 0.00 C ATOM 1489 C GLY A 97 7.829 -0.492 6.460 1.00 0.00 C ATOM 1490 O GLY A 97 6.661 -0.855 6.299 1.00 0.00 O ATOM 0 H GLY A 97 7.843 -0.573 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.550 0.401 5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.242 1.522 5.882 1.00 0.00 H new ATOM 1494 N GLU A 98 8.593 -0.919 7.458 1.00 0.00 N ATOM 1495 CA GLU A 98 8.108 -1.852 8.470 1.00 0.00 C ATOM 1496 C GLU A 98 6.952 -1.233 9.246 1.00 0.00 C ATOM 1497 O GLU A 98 6.048 -1.930 9.709 1.00 0.00 O ATOM 1498 CB GLU A 98 9.247 -2.215 9.428 1.00 0.00 C ATOM 1499 CG GLU A 98 10.400 -2.937 8.755 1.00 0.00 C ATOM 1500 CD GLU A 98 10.312 -4.444 8.890 1.00 0.00 C ATOM 1501 OE1 GLU A 98 9.360 -5.052 8.361 1.00 0.00 O ATOM 1502 OE2 GLU A 98 11.209 -5.038 9.528 1.00 0.00 O ATOM 0 H GLU A 98 9.562 -0.630 7.589 1.00 0.00 H new ATOM 0 HA GLU A 98 7.753 -2.757 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.622 -1.304 9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.853 -2.843 10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.420 -2.673 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.339 -2.593 9.187 1.00 0.00 H new ATOM 1509 N LEU A 99 6.985 0.088 9.371 1.00 0.00 N ATOM 1510 CA LEU A 99 5.922 0.823 10.043 1.00 0.00 C ATOM 1511 C LEU A 99 4.639 0.745 9.224 1.00 0.00 C ATOM 1512 O LEU A 99 3.537 0.697 9.771 1.00 0.00 O ATOM 1513 CB LEU A 99 6.329 2.286 10.248 1.00 0.00 C ATOM 1514 CG LEU A 99 5.322 3.145 11.017 1.00 0.00 C ATOM 1515 CD1 LEU A 99 5.150 2.625 12.437 1.00 0.00 C ATOM 1516 CD2 LEU A 99 5.768 4.600 11.029 1.00 0.00 C ATOM 0 H LEU A 99 7.740 0.674 9.014 1.00 0.00 H new ATOM 0 HA LEU A 99 5.748 0.372 11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.281 2.310 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.497 2.739 9.271 1.00 0.00 H new ATOM 0 HG LEU A 99 4.358 3.084 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.431 3.248 12.968 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.787 1.598 12.407 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.109 2.656 12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.042 5.199 11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.743 4.678 11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.839 4.967 10.005 1.00 0.00 H new ATOM 1528 N ALA A 100 4.799 0.719 7.906 1.00 0.00 N ATOM 1529 CA ALA A 100 3.668 0.606 7.000 1.00 0.00 C ATOM 1530 C ALA A 100 3.080 -0.797 7.069 1.00 0.00 C ATOM 1531 O ALA A 100 1.860 -0.979 7.067 1.00 0.00 O ATOM 1532 CB ALA A 100 4.095 0.943 5.578 1.00 0.00 C ATOM 0 H ALA A 100 5.706 0.775 7.442 1.00 0.00 H new ATOM 0 HA ALA A 100 2.900 1.317 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.238 0.854 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.477 1.963 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.876 0.253 5.259 1.00 0.00 H new ATOM 1538 N ALA A 101 3.961 -1.787 7.143 1.00 0.00 N ATOM 1539 CA ALA A 101 3.543 -3.172 7.302 1.00 0.00 C ATOM 1540 C ALA A 101 2.753 -3.347 8.594 1.00 0.00 C ATOM 1541 O ALA A 101 1.731 -4.029 8.617 1.00 0.00 O ATOM 1542 CB ALA A 101 4.747 -4.101 7.283 1.00 0.00 C ATOM 0 H ALA A 101 4.971 -1.655 7.095 1.00 0.00 H new ATOM 0 HA ALA A 101 2.896 -3.433 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.413 -5.132 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.271 -3.998 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.421 -3.840 8.099 1.00 0.00 H new ATOM 1548 N ALA A 102 3.225 -2.706 9.662 1.00 0.00 N ATOM 1549 CA ALA A 102 2.542 -2.745 10.952 1.00 0.00 C ATOM 1550 C ALA A 102 1.155 -2.112 10.856 1.00 0.00 C ATOM 1551 O ALA A 102 0.173 -2.649 11.380 1.00 0.00 O ATOM 1552 CB ALA A 102 3.377 -2.039 12.012 1.00 0.00 C ATOM 0 H ALA A 102 4.081 -2.152 9.658 1.00 0.00 H new ATOM 0 HA ALA A 102 2.417 -3.789 11.241 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.856 -2.075 12.969 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.343 -2.536 12.105 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.530 -1.000 11.722 1.00 0.00 H new ATOM 1558 N TRP A 103 1.083 -0.982 10.162 1.00 0.00 N ATOM 1559 CA TRP A 103 -0.168 -0.258 9.968 1.00 0.00 C ATOM 1560 C TRP A 103 -1.229 -1.170 9.341 1.00 0.00 C ATOM 1561 O TRP A 103 -2.403 -1.140 9.725 1.00 0.00 O ATOM 1562 CB TRP A 103 0.095 0.965 9.081 1.00 0.00 C ATOM 1563 CG TRP A 103 -1.064 1.909 8.954 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.539 2.760 9.909 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.875 2.118 7.791 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.601 3.477 9.413 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.824 3.102 8.116 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -1.892 1.567 6.508 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.777 3.546 7.206 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -2.838 2.008 5.605 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.768 2.991 5.957 1.00 0.00 C ATOM 0 H TRP A 103 1.889 -0.542 9.718 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.549 0.074 10.934 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.948 1.511 9.483 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.377 0.621 8.086 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.139 2.856 10.908 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.136 4.176 9.928 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.177 0.808 6.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.499 4.303 7.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.860 1.587 4.611 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.494 3.318 5.227 1.00 0.00 H new ATOM 1582 N ILE A 104 -0.808 -2.005 8.400 1.00 0.00 N ATOM 1583 CA ILE A 104 -1.730 -2.915 7.732 1.00 0.00 C ATOM 1584 C ILE A 104 -1.850 -4.255 8.464 1.00 0.00 C ATOM 1585 O ILE A 104 -2.893 -4.911 8.406 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.347 -3.101 6.245 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -1.762 -1.852 5.470 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -1.985 -4.340 5.631 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.226 -1.488 5.656 1.00 0.00 C ATOM 0 H ILE A 104 0.159 -2.071 8.083 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.719 -2.458 7.763 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.268 -3.244 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.143 -1.013 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.566 -2.009 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -1.684 -4.424 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.658 -5.226 6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.070 -4.258 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.454 -0.592 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.852 -2.311 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.423 -1.300 6.711 1.00 0.00 H new ATOM 1601 N SER A 105 -0.823 -4.651 9.205 1.00 0.00 N ATOM 1602 CA SER A 105 -0.947 -5.837 10.041 1.00 0.00 C ATOM 1603 C SER A 105 -1.983 -5.580 11.134 1.00 0.00 C ATOM 1604 O SER A 105 -2.454 -6.502 11.794 1.00 0.00 O ATOM 1605 CB SER A 105 0.401 -6.249 10.644 1.00 0.00 C ATOM 1606 OG SER A 105 0.949 -5.225 11.452 1.00 0.00 O ATOM 0 H SER A 105 0.082 -4.183 9.245 1.00 0.00 H new ATOM 0 HA SER A 105 -1.280 -6.668 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.272 -7.153 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.099 -6.493 9.843 1.00 0.00 H new ATOM 0 HG SER A 105 0.380 -4.429 11.402 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.323 -4.306 11.319 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.436 -3.923 12.172 1.00 0.00 C ATOM 1614 C ASN A 106 -4.731 -3.850 11.361 1.00 0.00 C ATOM 1615 O ASN A 106 -5.730 -4.468 11.718 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.170 -2.570 12.842 1.00 0.00 C ATOM 1617 CG ASN A 106 -2.089 -2.633 13.901 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -1.883 -3.664 14.543 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -1.403 -1.520 14.102 1.00 0.00 N ATOM 0 H ASN A 106 -1.838 -3.521 10.885 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.542 -4.683 12.947 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.883 -1.845 12.081 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.093 -2.208 13.295 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.671 -1.493 14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.606 -0.688 13.548 1.00 0.00 H new ATOM 1626 N HIS A 107 -4.699 -3.093 10.258 1.00 0.00 N ATOM 1627 CA HIS A 107 -5.894 -2.859 9.435 1.00 0.00 C ATOM 1628 C HIS A 107 -6.401 -4.145 8.776 1.00 0.00 C ATOM 1629 O HIS A 107 -7.606 -4.369 8.688 1.00 0.00 O ATOM 1630 CB HIS A 107 -5.604 -1.796 8.364 1.00 0.00 C ATOM 1631 CG HIS A 107 -6.758 -1.516 7.442 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -7.948 -0.965 7.865 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -6.898 -1.716 6.108 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -8.764 -0.831 6.835 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.151 -1.280 5.757 1.00 0.00 N ATOM 0 H HIS A 107 -3.858 -2.631 9.913 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.680 -2.499 10.099 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.316 -0.868 8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.749 -2.119 7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.159 -2.140 5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.763 -0.423 6.870 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.544 -1.300 4.816 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.485 -4.968 8.293 1.00 0.00 N ATOM 1645 CA ALA A 108 -5.845 -6.240 7.689 1.00 0.00 C ATOM 1646 C ALA A 108 -5.814 -7.345 8.736 1.00 0.00 C ATOM 1647 O ALA A 108 -6.595 -8.298 8.681 1.00 0.00 O ATOM 1648 CB ALA A 108 -4.912 -6.568 6.532 1.00 0.00 C ATOM 0 H ALA A 108 -4.483 -4.777 8.308 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.858 -6.164 7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.198 -7.524 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.982 -5.786 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.887 -6.629 6.897 1.00 0.00 H new ATOM 1654 N GLY A 109 -4.892 -7.217 9.681 1.00 0.00 N ATOM 1655 CA GLY A 109 -4.838 -8.148 10.795 1.00 0.00 C ATOM 1656 C GLY A 109 -3.802 -9.235 10.597 1.00 0.00 C ATOM 1657 O GLY A 109 -3.238 -9.754 11.561 1.00 0.00 O ATOM 0 H GLY A 109 -4.180 -6.486 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.614 -7.600 11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.818 -8.606 10.929 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.556 -9.579 9.346 1.00 0.00 N ATOM 1662 CA VAL A 110 -2.559 -10.581 9.010 1.00 0.00 C ATOM 1663 C VAL A 110 -1.328 -9.904 8.423 1.00 0.00 C ATOM 1664 O VAL A 110 -1.424 -8.780 7.925 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.116 -11.623 8.013 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.211 -12.452 8.663 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.639 -10.946 6.754 1.00 0.00 C ATOM 0 H VAL A 110 -4.036 -9.177 8.541 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.287 -11.108 9.925 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.300 -12.287 7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.591 -13.180 7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.806 -12.974 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.023 -11.798 8.980 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.025 -11.701 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.438 -10.253 7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.829 -10.399 6.272 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.153 -10.558 8.494 1.00 0.00 N ATOM 1678 CA PRO A 111 1.101 -9.997 7.979 1.00 0.00 C ATOM 1679 C PRO A 111 1.004 -9.593 6.509 1.00 0.00 C ATOM 1680 O PRO A 111 1.107 -10.428 5.606 1.00 0.00 O ATOM 1681 CB PRO A 111 2.112 -11.130 8.159 1.00 0.00 C ATOM 1682 CG PRO A 111 1.543 -11.975 9.243 1.00 0.00 C ATOM 1683 CD PRO A 111 0.050 -11.889 9.093 1.00 0.00 C ATOM 0 HA PRO A 111 1.375 -9.082 8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.237 -11.699 7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 111 3.094 -10.745 8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.885 -13.006 9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.858 -11.617 10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.337 -12.682 8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.457 -11.980 10.054 1.00 0.00 H new ATOM 1691 N CYS A 112 0.772 -8.311 6.288 1.00 0.00 N ATOM 1692 CA CYS A 112 0.718 -7.751 4.952 1.00 0.00 C ATOM 1693 C CYS A 112 1.629 -6.538 4.890 1.00 0.00 C ATOM 1694 O CYS A 112 1.799 -5.832 5.885 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.714 -7.363 4.588 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.907 -8.708 4.760 1.00 0.00 S ATOM 0 H CYS A 112 0.616 -7.630 7.031 1.00 0.00 H new ATOM 0 HA CYS A 112 1.054 -8.498 4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.026 -6.532 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.732 -7.005 3.559 1.00 0.00 H new ATOM 0 HG CYS A 112 -2.692 -8.465 5.767 1.00 0.00 H new ATOM 1702 N ARG A 113 2.219 -6.301 3.739 1.00 0.00 N ATOM 1703 CA ARG A 113 3.239 -5.283 3.614 1.00 0.00 C ATOM 1704 C ARG A 113 2.906 -4.304 2.494 1.00 0.00 C ATOM 1705 O ARG A 113 2.562 -4.716 1.383 1.00 0.00 O ATOM 1706 CB ARG A 113 4.581 -5.971 3.361 1.00 0.00 C ATOM 1707 CG ARG A 113 5.779 -5.050 3.440 1.00 0.00 C ATOM 1708 CD ARG A 113 7.075 -5.842 3.443 1.00 0.00 C ATOM 1709 NE ARG A 113 7.101 -6.851 4.506 1.00 0.00 N ATOM 1710 CZ ARG A 113 7.739 -6.702 5.668 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.393 -5.578 5.945 1.00 0.00 N ATOM 1712 NH2 ARG A 113 7.727 -7.690 6.557 1.00 0.00 N ATOM 0 H ARG A 113 2.009 -6.800 2.875 1.00 0.00 H new ATOM 0 HA ARG A 113 3.291 -4.704 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.707 -6.774 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.558 -6.434 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 113 5.770 -4.363 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.717 -4.444 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.203 -6.330 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.916 -5.160 3.570 1.00 0.00 H new ATOM 0 HE ARG A 113 6.598 -7.724 4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.411 -4.818 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.877 -5.476 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.232 -8.557 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.213 -7.581 7.447 1.00 0.00 H new ATOM 1726 N ILE A 114 2.985 -3.009 2.799 1.00 0.00 N ATOM 1727 CA ILE A 114 2.797 -1.968 1.793 1.00 0.00 C ATOM 1728 C ILE A 114 3.969 -2.010 0.821 1.00 0.00 C ATOM 1729 O ILE A 114 5.116 -1.817 1.225 1.00 0.00 O ATOM 1730 CB ILE A 114 2.719 -0.560 2.432 1.00 0.00 C ATOM 1731 CG1 ILE A 114 1.607 -0.492 3.483 1.00 0.00 C ATOM 1732 CG2 ILE A 114 2.497 0.502 1.364 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.210 -0.557 2.908 1.00 0.00 C ATOM 0 H ILE A 114 3.178 -2.657 3.737 1.00 0.00 H new ATOM 0 HA ILE A 114 1.855 -2.156 1.278 1.00 0.00 H new ATOM 0 HB ILE A 114 3.670 -0.366 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.737 -1.313 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.713 0.433 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.445 1.484 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.324 0.482 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.563 0.301 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.519 -0.503 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.058 0.279 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.083 -1.494 2.367 1.00 0.00 H new ATOM 1745 N LEU A 115 3.692 -2.275 -0.446 1.00 0.00 N ATOM 1746 CA LEU A 115 4.754 -2.484 -1.414 1.00 0.00 C ATOM 1747 C LEU A 115 4.516 -1.698 -2.697 1.00 0.00 C ATOM 1748 O LEU A 115 3.435 -1.737 -3.291 1.00 0.00 O ATOM 1749 CB LEU A 115 4.891 -3.976 -1.720 1.00 0.00 C ATOM 1750 CG LEU A 115 5.408 -4.832 -0.560 1.00 0.00 C ATOM 1751 CD1 LEU A 115 4.949 -6.262 -0.720 1.00 0.00 C ATOM 1752 CD2 LEU A 115 6.923 -4.785 -0.489 1.00 0.00 C ATOM 0 H LEU A 115 2.748 -2.350 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 115 5.682 -2.117 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.918 -4.359 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.564 -4.097 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 115 5.003 -4.427 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.323 -6.859 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.860 -6.296 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.332 -6.664 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.268 -5.400 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.343 -5.165 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.248 -3.756 -0.338 1.00 0.00 H new ATOM 1764 N LYS A 116 5.540 -0.976 -3.108 1.00 0.00 N ATOM 1765 CA LYS A 116 5.511 -0.227 -4.349 1.00 0.00 C ATOM 1766 C LYS A 116 6.326 -0.966 -5.403 1.00 0.00 C ATOM 1767 O LYS A 116 7.515 -1.222 -5.205 1.00 0.00 O ATOM 1768 CB LYS A 116 6.072 1.177 -4.109 1.00 0.00 C ATOM 1769 CG LYS A 116 6.151 2.052 -5.348 1.00 0.00 C ATOM 1770 CD LYS A 116 6.670 3.451 -5.025 1.00 0.00 C ATOM 1771 CE LYS A 116 8.136 3.454 -4.589 1.00 0.00 C ATOM 1772 NZ LYS A 116 8.326 3.081 -3.156 1.00 0.00 N ATOM 0 H LYS A 116 6.415 -0.892 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 116 4.486 -0.133 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.452 1.679 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.071 1.086 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.805 1.583 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.163 2.127 -5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.555 4.087 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.060 3.886 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.696 2.759 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.556 4.445 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.232 3.462 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.549 3.476 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.330 2.045 -3.064 1.00 0.00 H new ATOM 1786 N VAL A 117 5.682 -1.335 -6.507 1.00 0.00 N ATOM 1787 CA VAL A 117 6.354 -2.083 -7.563 1.00 0.00 C ATOM 1788 C VAL A 117 7.489 -1.255 -8.160 1.00 0.00 C ATOM 1789 O VAL A 117 7.313 -0.073 -8.465 1.00 0.00 O ATOM 1790 CB VAL A 117 5.373 -2.507 -8.683 1.00 0.00 C ATOM 1791 CG1 VAL A 117 6.068 -3.401 -9.702 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.159 -3.210 -8.095 1.00 0.00 C ATOM 0 H VAL A 117 4.700 -1.129 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 117 6.760 -2.988 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 117 5.034 -1.607 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.359 -3.686 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.901 -2.861 -10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.442 -4.296 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.482 -3.500 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.481 -4.099 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.643 -2.535 -7.412 1.00 0.00 H new ATOM 1802 N HIS A 118 8.657 -1.872 -8.293 1.00 0.00 N ATOM 1803 CA HIS A 118 9.816 -1.194 -8.850 1.00 0.00 C ATOM 1804 C HIS A 118 9.582 -0.942 -10.337 1.00 0.00 C ATOM 1805 O HIS A 118 9.046 -1.810 -11.026 1.00 0.00 O ATOM 1806 CB HIS A 118 11.079 -2.038 -8.642 1.00 0.00 C ATOM 1807 CG HIS A 118 12.330 -1.228 -8.472 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.341 -1.177 -9.409 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.729 -0.429 -7.455 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.304 -0.390 -8.972 1.00 0.00 C ATOM 1811 NE2 HIS A 118 13.957 0.077 -7.789 1.00 0.00 N ATOM 0 H HIS A 118 8.824 -2.841 -8.022 1.00 0.00 H new ATOM 0 HA HIS A 118 9.958 -0.241 -8.340 1.00 0.00 H new ATOM 0 HB2 HIS A 118 10.943 -2.667 -7.762 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.203 -2.705 -9.495 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.343 -1.671 -10.301 1.00 0.00 H new ATOM 0 HD2 HIS A 118 12.180 -0.228 -6.547 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.222 -0.166 -9.495 1.00 0.00 H new ATOM 1820 N PRO A 119 9.973 0.246 -10.844 1.00 0.00 N ATOM 1821 CA PRO A 119 9.758 0.644 -12.250 1.00 0.00 C ATOM 1822 C PRO A 119 10.236 -0.388 -13.275 1.00 0.00 C ATOM 1823 O PRO A 119 9.872 -0.316 -14.447 1.00 0.00 O ATOM 1824 CB PRO A 119 10.578 1.928 -12.377 1.00 0.00 C ATOM 1825 CG PRO A 119 10.585 2.497 -11.005 1.00 0.00 C ATOM 1826 CD PRO A 119 10.629 1.320 -10.074 1.00 0.00 C ATOM 0 HA PRO A 119 8.695 0.755 -12.463 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.589 1.721 -12.727 1.00 0.00 H new ATOM 0 HB3 PRO A 119 10.129 2.618 -13.091 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.448 3.146 -10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.696 3.102 -10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.653 1.056 -9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 119 10.102 1.525 -9.142 1.00 0.00 H new ATOM 1834 N ASP A 120 11.059 -1.339 -12.838 1.00 0.00 N ATOM 1835 CA ASP A 120 11.498 -2.431 -13.703 1.00 0.00 C ATOM 1836 C ASP A 120 10.306 -3.236 -14.194 1.00 0.00 C ATOM 1837 O ASP A 120 10.294 -3.733 -15.319 1.00 0.00 O ATOM 1838 CB ASP A 120 12.471 -3.356 -12.971 1.00 0.00 C ATOM 1839 CG ASP A 120 13.827 -2.728 -12.781 1.00 0.00 C ATOM 1840 OD1 ASP A 120 14.679 -2.861 -13.686 1.00 0.00 O ATOM 1841 OD2 ASP A 120 14.039 -2.091 -11.734 1.00 0.00 O ATOM 0 H ASP A 120 11.435 -1.375 -11.890 1.00 0.00 H new ATOM 0 HA ASP A 120 12.010 -1.989 -14.557 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.056 -3.619 -11.998 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.579 -4.284 -13.533 1.00 0.00 H new ATOM 1846 N MET A 121 9.301 -3.355 -13.343 1.00 0.00 N ATOM 1847 CA MET A 121 8.095 -4.069 -13.696 1.00 0.00 C ATOM 1848 C MET A 121 6.928 -3.108 -13.800 1.00 0.00 C ATOM 1849 O MET A 121 6.626 -2.368 -12.869 1.00 0.00 O ATOM 1850 CB MET A 121 7.777 -5.174 -12.687 1.00 0.00 C ATOM 1851 CG MET A 121 8.775 -6.317 -12.706 1.00 0.00 C ATOM 1852 SD MET A 121 10.252 -5.983 -11.725 1.00 0.00 S ATOM 1853 CE MET A 121 11.227 -7.445 -12.076 1.00 0.00 C ATOM 0 H MET A 121 9.301 -2.964 -12.401 1.00 0.00 H new ATOM 0 HA MET A 121 8.262 -4.540 -14.665 1.00 0.00 H new ATOM 0 HB2 MET A 121 7.749 -4.744 -11.686 1.00 0.00 H new ATOM 0 HB3 MET A 121 6.782 -5.568 -12.893 1.00 0.00 H new ATOM 0 HG2 MET A 121 8.292 -7.219 -12.330 1.00 0.00 H new ATOM 0 HG3 MET A 121 9.068 -6.518 -13.736 1.00 0.00 H new ATOM 0 HE1 MET A 121 11.899 -7.643 -11.241 1.00 0.00 H new ATOM 0 HE2 MET A 121 10.564 -8.299 -12.219 1.00 0.00 H new ATOM 0 HE3 MET A 121 11.811 -7.284 -12.982 1.00 0.00 H new ATOM 1863 N ALA A 122 6.282 -3.125 -14.944 1.00 0.00 N ATOM 1864 CA ALA A 122 5.121 -2.282 -15.182 1.00 0.00 C ATOM 1865 C ALA A 122 3.972 -3.138 -15.674 1.00 0.00 C ATOM 1866 O ALA A 122 3.173 -2.722 -16.510 1.00 0.00 O ATOM 1867 CB ALA A 122 5.456 -1.189 -16.189 1.00 0.00 C ATOM 0 H ALA A 122 6.540 -3.717 -15.733 1.00 0.00 H new ATOM 0 HA ALA A 122 4.827 -1.798 -14.251 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.577 -0.567 -16.356 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.268 -0.574 -15.801 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.763 -1.644 -17.131 1.00 0.00 H new ATOM 1873 N GLU A 123 3.897 -4.336 -15.126 1.00 0.00 N ATOM 1874 CA GLU A 123 2.892 -5.302 -15.517 1.00 0.00 C ATOM 1875 C GLU A 123 2.394 -6.026 -14.266 1.00 0.00 C ATOM 1876 O GLU A 123 2.158 -5.384 -13.242 1.00 0.00 O ATOM 1877 CB GLU A 123 3.500 -6.279 -16.530 1.00 0.00 C ATOM 1878 CG GLU A 123 2.495 -6.866 -17.511 1.00 0.00 C ATOM 1879 CD GLU A 123 3.164 -7.700 -18.583 1.00 0.00 C ATOM 1880 OE1 GLU A 123 3.652 -7.117 -19.576 1.00 0.00 O ATOM 1881 OE2 GLU A 123 3.225 -8.938 -18.433 1.00 0.00 O ATOM 0 H GLU A 123 4.531 -4.665 -14.398 1.00 0.00 H new ATOM 0 HA GLU A 123 2.043 -4.810 -15.991 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.280 -5.765 -17.091 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.981 -7.094 -15.989 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.777 -7.482 -16.969 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.932 -6.058 -17.979 1.00 0.00 H new ATOM 1888 N VAL A 124 2.271 -7.350 -14.340 1.00 0.00 N ATOM 1889 CA VAL A 124 1.774 -8.162 -13.229 1.00 0.00 C ATOM 1890 C VAL A 124 0.301 -7.857 -12.976 1.00 0.00 C ATOM 1891 O VAL A 124 -0.045 -6.913 -12.269 1.00 0.00 O ATOM 1892 CB VAL A 124 2.582 -7.967 -11.919 1.00 0.00 C ATOM 1893 CG1 VAL A 124 2.272 -9.087 -10.941 1.00 0.00 C ATOM 1894 CG2 VAL A 124 4.078 -7.892 -12.200 1.00 0.00 C ATOM 0 H VAL A 124 2.513 -7.890 -15.171 1.00 0.00 H new ATOM 0 HA VAL A 124 1.898 -9.203 -13.526 1.00 0.00 H new ATOM 0 HB VAL A 124 2.283 -7.019 -11.471 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.845 -8.940 -10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.207 -9.082 -10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.541 -10.044 -11.387 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.618 -7.755 -11.263 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.406 -8.816 -12.676 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.282 -7.051 -12.862 1.00 0.00 H new ATOM 1904 N ARG A 125 -0.562 -8.659 -13.575 1.00 0.00 N ATOM 1905 CA ARG A 125 -2.000 -8.428 -13.511 1.00 0.00 C ATOM 1906 C ARG A 125 -2.642 -9.321 -12.445 1.00 0.00 C ATOM 1907 O ARG A 125 -3.853 -9.547 -12.462 1.00 0.00 O ATOM 1908 CB ARG A 125 -2.616 -8.696 -14.894 1.00 0.00 C ATOM 1909 CG ARG A 125 -4.078 -8.292 -15.025 1.00 0.00 C ATOM 1910 CD ARG A 125 -4.626 -8.617 -16.407 1.00 0.00 C ATOM 1911 NE ARG A 125 -4.453 -10.029 -16.751 1.00 0.00 N ATOM 1912 CZ ARG A 125 -5.411 -10.790 -17.285 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -6.626 -10.292 -17.494 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -5.151 -12.054 -17.601 1.00 0.00 N ATOM 0 H ARG A 125 -0.293 -9.481 -14.115 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.189 -7.392 -13.231 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -2.036 -8.161 -15.646 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.525 -9.759 -15.118 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.668 -8.808 -14.268 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.180 -7.224 -14.834 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -5.685 -8.362 -16.445 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.122 -7.999 -17.150 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.545 -10.458 -16.572 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -6.830 -9.324 -17.246 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -7.354 -10.878 -17.902 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.222 -12.440 -17.435 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.881 -12.638 -18.009 1.00 0.00 H new ATOM 1928 N TRP A 126 -1.815 -9.808 -11.510 1.00 0.00 N ATOM 1929 CA TRP A 126 -2.266 -10.733 -10.460 1.00 0.00 C ATOM 1930 C TRP A 126 -2.576 -12.102 -11.097 1.00 0.00 C ATOM 1931 O TRP A 126 -2.873 -12.164 -12.292 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.497 -10.147 -9.731 1.00 0.00 C ATOM 1933 CG TRP A 126 -3.734 -10.700 -8.357 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.059 -10.376 -7.214 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -4.717 -11.671 -7.979 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -3.549 -11.099 -6.154 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.569 -11.898 -6.597 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.704 -12.376 -8.675 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.367 -12.799 -5.901 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -6.496 -13.271 -7.981 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -6.322 -13.473 -6.607 1.00 0.00 C ATOM 0 H TRP A 126 -0.823 -9.575 -11.459 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.482 -10.869 -9.715 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.378 -9.066 -9.657 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.383 -10.329 -10.339 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.257 -9.656 -7.153 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.209 -11.049 -5.194 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -5.845 -12.224 -9.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.236 -12.960 -4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -7.261 -13.823 -8.507 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -6.958 -14.179 -6.093 1.00 0.00 H new ATOM 1952 N PRO A 127 -2.440 -13.225 -10.344 1.00 0.00 N ATOM 1953 CA PRO A 127 -2.769 -14.565 -10.837 1.00 0.00 C ATOM 1954 C PRO A 127 -3.997 -14.568 -11.746 1.00 0.00 C ATOM 1955 O PRO A 127 -5.099 -14.183 -11.343 1.00 0.00 O ATOM 1956 CB PRO A 127 -3.032 -15.372 -9.553 1.00 0.00 C ATOM 1957 CG PRO A 127 -2.748 -14.440 -8.413 1.00 0.00 C ATOM 1958 CD PRO A 127 -1.936 -13.306 -8.976 1.00 0.00 C ATOM 0 HA PRO A 127 -1.969 -14.979 -11.451 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -4.062 -15.727 -9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.390 -16.252 -9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.675 -14.072 -7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.201 -14.952 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.095 -12.378 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.867 -13.515 -8.946 1.00 0.00 H new