USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1110 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -139:sc= 0.0666 (180deg=0) USER MOD Single : A 13 TYR OH : rot -4:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0454) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 1.29 (180deg=1.02) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.023) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0.695 (180deg=0.695) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00625) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 59 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.021) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.301) USER MOD Single : A 69 HIS : no HE2:sc= -0.28 K(o=-0.28,f=-3.2!) USER MOD Single : A 81 ASN : amide:sc= -0.0891 K(o=-0.089,f=-0.88) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 70:sc= 0.175 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 177:sc= -0.819 (180deg=-0.903) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.22) USER MOD Single : A 99 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0.46 USER MOD Single : A 106 TYR OH : rot 18:sc= 1.22 USER MOD Single : A 109 TYR OH : rot 180:sc= 0.622 USER MOD Single : A 110 SER OG : rot -124:sc= 1.26 USER MOD Single : A 113 SER OG : rot 48:sc= 0.0602 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl 156:sc= -0.486 (180deg=-2.04) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0.0463 USER MOD Single : B 729 SER OG : rot -160:sc= 0 USER MOD Single : B 732 TYR OH : rot 22:sc= 1.29 USER MOD Single : B 739 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 4.079 10.174 -17.220 1.00 0.00 N ATOM 2 CA GLY A -3 2.932 11.066 -17.432 1.00 0.00 C ATOM 3 C GLY A -3 2.888 12.082 -16.319 1.00 0.00 C ATOM 4 O GLY A -3 3.939 12.531 -15.864 1.00 0.00 O ATOM 0 H1 GLY A -3 4.545 9.986 -18.130 1.00 0.00 H new ATOM 0 H2 GLY A -3 4.755 10.626 -16.572 1.00 0.00 H new ATOM 0 H3 GLY A -3 3.750 9.278 -16.808 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.018 11.567 -18.396 1.00 0.00 H new ATOM 0 HA3 GLY A -3 2.006 10.491 -17.453 1.00 0.00 H new ATOM 8 N SER A -2 1.688 12.520 -15.937 1.00 0.00 N ATOM 9 CA SER A -2 1.549 13.460 -14.838 1.00 0.00 C ATOM 10 C SER A -2 1.911 12.623 -13.595 1.00 0.00 C ATOM 11 O SER A -2 1.348 11.528 -13.454 1.00 0.00 O ATOM 12 CB SER A -2 0.113 13.972 -14.785 1.00 0.00 C ATOM 13 OG SER A -2 -0.353 14.413 -16.047 1.00 0.00 O ATOM 0 H SER A -2 0.809 12.239 -16.371 1.00 0.00 H new ATOM 0 HA SER A -2 2.181 14.344 -14.925 1.00 0.00 H new ATOM 0 HB2 SER A -2 -0.539 13.179 -14.418 1.00 0.00 H new ATOM 0 HB3 SER A -2 0.050 14.793 -14.071 1.00 0.00 H new ATOM 0 HG SER A -2 -1.277 14.730 -15.962 1.00 0.00 H new ATOM 19 N PRO A -1 2.770 13.108 -12.680 1.00 0.00 N ATOM 20 CA PRO A -1 3.204 12.347 -11.513 1.00 0.00 C ATOM 21 C PRO A -1 2.130 11.779 -10.582 1.00 0.00 C ATOM 22 O PRO A -1 2.449 10.845 -9.844 1.00 0.00 O ATOM 23 CB PRO A -1 4.253 13.195 -10.791 1.00 0.00 C ATOM 24 CG PRO A -1 4.043 14.598 -11.342 1.00 0.00 C ATOM 25 CD PRO A -1 3.475 14.376 -12.742 1.00 0.00 C ATOM 0 HA PRO A -1 3.620 11.411 -11.885 1.00 0.00 H new ATOM 0 HB2 PRO A -1 4.113 13.167 -9.710 1.00 0.00 H new ATOM 0 HB3 PRO A -1 5.262 12.835 -10.991 1.00 0.00 H new ATOM 0 HG2 PRO A -1 3.354 15.170 -10.720 1.00 0.00 H new ATOM 0 HG3 PRO A -1 4.979 15.155 -11.377 1.00 0.00 H new ATOM 0 HD2 PRO A -1 2.802 15.185 -13.025 1.00 0.00 H new ATOM 0 HD3 PRO A -1 4.270 14.347 -13.487 1.00 0.00 H new ATOM 33 N GLU A 0 0.891 12.287 -10.636 1.00 0.00 N ATOM 34 CA GLU A 0 -0.274 11.878 -9.847 1.00 0.00 C ATOM 35 C GLU A 0 -0.097 12.177 -8.352 1.00 0.00 C ATOM 36 O GLU A 0 1.016 12.210 -7.833 1.00 0.00 O ATOM 37 CB GLU A 0 -0.564 10.380 -10.101 1.00 0.00 C ATOM 38 CG GLU A 0 -1.969 9.888 -9.717 1.00 0.00 C ATOM 39 CD GLU A 0 -3.103 10.431 -10.588 1.00 0.00 C ATOM 40 OE1 GLU A 0 -2.861 10.989 -11.682 1.00 0.00 O ATOM 41 OE2 GLU A 0 -4.275 10.286 -10.158 1.00 0.00 O ATOM 0 H GLU A 0 0.663 13.047 -11.277 1.00 0.00 H new ATOM 0 HA GLU A 0 -1.133 12.466 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -0.406 10.175 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 0 0.168 9.791 -9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -1.983 8.799 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 0 -2.163 10.163 -8.680 1.00 0.00 H new ATOM 48 N PHE A 1 -1.204 12.403 -7.645 1.00 0.00 N ATOM 49 CA PHE A 1 -1.218 12.674 -6.215 1.00 0.00 C ATOM 50 C PHE A 1 -2.473 12.017 -5.663 1.00 0.00 C ATOM 51 O PHE A 1 -3.586 12.385 -6.043 1.00 0.00 O ATOM 52 CB PHE A 1 -1.182 14.180 -5.923 1.00 0.00 C ATOM 53 CG PHE A 1 0.180 14.790 -6.177 1.00 0.00 C ATOM 54 CD1 PHE A 1 1.238 14.529 -5.286 1.00 0.00 C ATOM 55 CD2 PHE A 1 0.411 15.574 -7.321 1.00 0.00 C ATOM 56 CE1 PHE A 1 2.523 15.033 -5.541 1.00 0.00 C ATOM 57 CE2 PHE A 1 1.700 16.070 -7.581 1.00 0.00 C ATOM 58 CZ PHE A 1 2.759 15.795 -6.696 1.00 0.00 C ATOM 0 H PHE A 1 -2.134 12.402 -8.063 1.00 0.00 H new ATOM 0 HA PHE A 1 -0.329 12.267 -5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -1.923 14.684 -6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.465 14.352 -4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.060 13.937 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -0.401 15.795 -7.999 1.00 0.00 H new ATOM 0 HE1 PHE A 1 3.329 14.835 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 1 1.879 16.665 -8.464 1.00 0.00 H new ATOM 0 HZ PHE A 1 3.750 16.169 -6.905 1.00 0.00 H new ATOM 68 N LYS A 2 -2.302 11.024 -4.793 1.00 0.00 N ATOM 69 CA LYS A 2 -3.395 10.279 -4.167 1.00 0.00 C ATOM 70 C LYS A 2 -3.085 10.052 -2.679 1.00 0.00 C ATOM 71 O LYS A 2 -3.557 9.083 -2.089 1.00 0.00 O ATOM 72 CB LYS A 2 -3.608 8.982 -4.973 1.00 0.00 C ATOM 73 CG LYS A 2 -4.968 8.294 -4.772 1.00 0.00 C ATOM 74 CD LYS A 2 -6.104 8.744 -5.695 1.00 0.00 C ATOM 75 CE LYS A 2 -6.455 10.215 -5.496 1.00 0.00 C ATOM 76 NZ LYS A 2 -7.737 10.555 -6.129 1.00 0.00 N ATOM 0 H LYS A 2 -1.379 10.707 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.333 10.834 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.488 9.209 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.821 8.276 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.829 7.220 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.282 8.454 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.815 8.578 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.987 8.132 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.505 10.437 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.665 10.838 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.944 11.562 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.681 10.366 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.494 9.977 -5.711 1.00 0.00 H new ATOM 90 N PHE A 3 -2.282 10.942 -2.084 1.00 0.00 N ATOM 91 CA PHE A 3 -1.879 10.870 -0.687 1.00 0.00 C ATOM 92 C PHE A 3 -3.112 10.806 0.207 1.00 0.00 C ATOM 93 O PHE A 3 -4.119 11.473 -0.070 1.00 0.00 O ATOM 94 CB PHE A 3 -1.045 12.109 -0.298 1.00 0.00 C ATOM 95 CG PHE A 3 0.431 12.023 -0.624 1.00 0.00 C ATOM 96 CD1 PHE A 3 0.907 12.370 -1.901 1.00 0.00 C ATOM 97 CD2 PHE A 3 1.341 11.628 0.374 1.00 0.00 C ATOM 98 CE1 PHE A 3 2.285 12.307 -2.177 1.00 0.00 C ATOM 99 CE2 PHE A 3 2.713 11.545 0.091 1.00 0.00 C ATOM 100 CZ PHE A 3 3.186 11.884 -1.185 1.00 0.00 C ATOM 0 H PHE A 3 -1.890 11.745 -2.575 1.00 0.00 H new ATOM 0 HA PHE A 3 -1.275 9.973 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -1.462 12.980 -0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.155 12.279 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.216 12.684 -2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.981 11.387 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.652 12.585 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.404 11.220 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.241 11.820 -1.405 1.00 0.00 H new ATOM 110 N GLN A 4 -2.946 10.147 1.356 1.00 0.00 N ATOM 111 CA GLN A 4 -3.939 9.909 2.393 1.00 0.00 C ATOM 112 C GLN A 4 -4.550 11.230 2.853 1.00 0.00 C ATOM 113 O GLN A 4 -5.735 11.271 3.161 1.00 0.00 O ATOM 114 CB GLN A 4 -3.222 9.207 3.559 1.00 0.00 C ATOM 115 CG GLN A 4 -4.164 8.751 4.680 1.00 0.00 C ATOM 116 CD GLN A 4 -3.400 8.272 5.914 1.00 0.00 C ATOM 117 OE1 GLN A 4 -2.335 7.666 5.836 1.00 0.00 O ATOM 118 NE2 GLN A 4 -3.918 8.512 7.102 1.00 0.00 N ATOM 0 H GLN A 4 -2.044 9.737 1.599 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.751 9.287 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.684 8.341 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.477 9.885 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.821 9.575 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.800 7.946 4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.802 9.014 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.435 8.195 7.943 1.00 0.00 H new ATOM 127 N TYR A 5 -3.784 12.320 2.806 1.00 0.00 N ATOM 128 CA TYR A 5 -4.216 13.658 3.183 1.00 0.00 C ATOM 129 C TYR A 5 -5.532 14.033 2.475 1.00 0.00 C ATOM 130 O TYR A 5 -6.350 14.764 3.028 1.00 0.00 O ATOM 131 CB TYR A 5 -3.077 14.633 2.843 1.00 0.00 C ATOM 132 CG TYR A 5 -3.127 15.940 3.604 1.00 0.00 C ATOM 133 CD1 TYR A 5 -4.063 16.931 3.253 1.00 0.00 C ATOM 134 CD2 TYR A 5 -2.232 16.167 4.668 1.00 0.00 C ATOM 135 CE1 TYR A 5 -4.134 18.124 3.988 1.00 0.00 C ATOM 136 CE2 TYR A 5 -2.278 17.372 5.387 1.00 0.00 C ATOM 137 CZ TYR A 5 -3.238 18.351 5.059 1.00 0.00 C ATOM 138 OH TYR A 5 -3.268 19.514 5.754 1.00 0.00 O ATOM 0 H TYR A 5 -2.814 12.290 2.493 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.425 13.705 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.124 14.145 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.105 14.847 1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.728 16.773 2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.507 15.411 4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.873 18.870 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.579 17.549 6.191 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.583 19.494 6.454 1.00 0.00 H new ATOM 148 N LYS A 6 -5.729 13.580 1.230 1.00 0.00 N ATOM 149 CA LYS A 6 -6.939 13.843 0.455 1.00 0.00 C ATOM 150 C LYS A 6 -7.957 12.738 0.691 1.00 0.00 C ATOM 151 O LYS A 6 -9.127 13.051 0.884 1.00 0.00 O ATOM 152 CB LYS A 6 -6.622 13.930 -1.044 1.00 0.00 C ATOM 153 CG LYS A 6 -5.931 15.247 -1.436 1.00 0.00 C ATOM 154 CD LYS A 6 -6.784 16.509 -1.267 1.00 0.00 C ATOM 155 CE LYS A 6 -8.129 16.398 -2.001 1.00 0.00 C ATOM 156 NZ LYS A 6 -8.902 17.648 -1.912 1.00 0.00 N ATOM 0 H LYS A 6 -5.042 13.015 0.731 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.350 14.798 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.982 13.093 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.547 13.828 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.027 15.356 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.617 15.177 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.963 16.686 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.235 17.371 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.953 16.153 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.710 15.580 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.803 17.536 -2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.091 17.869 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.358 18.424 -2.341 1.00 0.00 H new ATOM 170 N GLU A 7 -7.519 11.478 0.697 1.00 0.00 N ATOM 171 CA GLU A 7 -8.380 10.311 0.893 1.00 0.00 C ATOM 172 C GLU A 7 -9.060 10.303 2.272 1.00 0.00 C ATOM 173 O GLU A 7 -10.053 9.603 2.442 1.00 0.00 O ATOM 174 CB GLU A 7 -7.605 9.002 0.641 1.00 0.00 C ATOM 175 CG GLU A 7 -6.724 8.975 -0.625 1.00 0.00 C ATOM 176 CD GLU A 7 -7.444 9.368 -1.921 1.00 0.00 C ATOM 177 OE1 GLU A 7 -8.089 8.497 -2.552 1.00 0.00 O ATOM 178 OE2 GLU A 7 -7.335 10.549 -2.338 1.00 0.00 O ATOM 0 H GLU A 7 -6.537 11.236 0.563 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.179 10.381 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.971 8.805 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.322 8.184 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.880 9.648 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.315 7.972 -0.744 1.00 0.00 H new ATOM 185 N ASP A 8 -8.588 11.111 3.229 1.00 0.00 N ATOM 186 CA ASP A 8 -9.150 11.225 4.574 1.00 0.00 C ATOM 187 C ASP A 8 -10.495 11.970 4.560 1.00 0.00 C ATOM 188 O ASP A 8 -11.383 11.662 5.358 1.00 0.00 O ATOM 189 CB ASP A 8 -8.161 11.959 5.489 1.00 0.00 C ATOM 190 CG ASP A 8 -8.741 12.172 6.892 1.00 0.00 C ATOM 191 OD1 ASP A 8 -8.552 11.284 7.755 1.00 0.00 O ATOM 192 OD2 ASP A 8 -9.394 13.219 7.122 1.00 0.00 O ATOM 0 H ASP A 8 -7.782 11.719 3.082 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.325 10.218 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.236 11.386 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.905 12.923 5.050 1.00 0.00 H new ATOM 197 N HIS A 9 -10.668 12.969 3.686 1.00 0.00 N ATOM 198 CA HIS A 9 -11.917 13.731 3.592 1.00 0.00 C ATOM 199 C HIS A 9 -13.130 12.836 3.263 1.00 0.00 C ATOM 200 O HIS A 9 -14.116 12.899 3.999 1.00 0.00 O ATOM 201 CB HIS A 9 -11.811 14.869 2.567 1.00 0.00 C ATOM 202 CG HIS A 9 -11.440 16.222 3.116 1.00 0.00 C ATOM 203 ND1 HIS A 9 -10.289 16.576 3.780 1.00 0.00 N ATOM 204 CD2 HIS A 9 -12.160 17.364 2.908 1.00 0.00 C ATOM 205 CE1 HIS A 9 -10.287 17.914 3.908 1.00 0.00 C ATOM 206 NE2 HIS A 9 -11.406 18.445 3.384 1.00 0.00 N ATOM 0 H HIS A 9 -9.949 13.270 3.028 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.080 14.164 4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.071 14.588 1.818 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.768 14.958 2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.139 17.423 2.456 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.495 18.485 4.369 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -11.655 19.433 3.342 1.00 0.00 H new ATOM 214 N PRO A 10 -13.133 12.016 2.189 1.00 0.00 N ATOM 215 CA PRO A 10 -14.257 11.148 1.844 1.00 0.00 C ATOM 216 C PRO A 10 -14.413 9.947 2.803 1.00 0.00 C ATOM 217 O PRO A 10 -14.462 8.811 2.346 1.00 0.00 O ATOM 218 CB PRO A 10 -13.994 10.746 0.383 1.00 0.00 C ATOM 219 CG PRO A 10 -12.476 10.670 0.316 1.00 0.00 C ATOM 220 CD PRO A 10 -12.066 11.838 1.208 1.00 0.00 C ATOM 0 HA PRO A 10 -15.215 11.656 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.457 9.790 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.392 11.482 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.097 9.718 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.105 10.784 -0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.117 11.632 1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.928 12.744 0.619 1.00 0.00 H new ATOM 228 N PHE A 11 -14.550 10.174 4.113 1.00 0.00 N ATOM 229 CA PHE A 11 -14.715 9.165 5.157 1.00 0.00 C ATOM 230 C PHE A 11 -15.840 8.188 4.805 1.00 0.00 C ATOM 231 O PHE A 11 -15.642 6.976 4.880 1.00 0.00 O ATOM 232 CB PHE A 11 -14.950 9.893 6.496 1.00 0.00 C ATOM 233 CG PHE A 11 -15.045 9.042 7.756 1.00 0.00 C ATOM 234 CD1 PHE A 11 -13.885 8.498 8.343 1.00 0.00 C ATOM 235 CD2 PHE A 11 -16.283 8.870 8.407 1.00 0.00 C ATOM 236 CE1 PHE A 11 -13.953 7.784 9.553 1.00 0.00 C ATOM 237 CE2 PHE A 11 -16.348 8.171 9.626 1.00 0.00 C ATOM 238 CZ PHE A 11 -15.187 7.628 10.203 1.00 0.00 C ATOM 0 H PHE A 11 -14.548 11.121 4.492 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.816 8.556 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.140 10.609 6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.872 10.467 6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.930 8.631 7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.183 9.275 7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.058 7.357 9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.299 8.050 10.123 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.244 7.094 11.140 1.00 0.00 H new ATOM 248 N GLU A 12 -17.005 8.693 4.376 1.00 0.00 N ATOM 249 CA GLU A 12 -18.135 7.839 4.009 1.00 0.00 C ATOM 250 C GLU A 12 -17.781 6.935 2.818 1.00 0.00 C ATOM 251 O GLU A 12 -18.110 5.750 2.810 1.00 0.00 O ATOM 252 CB GLU A 12 -19.398 8.689 3.718 1.00 0.00 C ATOM 253 CG GLU A 12 -19.291 9.655 2.518 1.00 0.00 C ATOM 254 CD GLU A 12 -20.568 10.463 2.259 1.00 0.00 C ATOM 255 OE1 GLU A 12 -21.466 9.978 1.535 1.00 0.00 O ATOM 256 OE2 GLU A 12 -20.671 11.630 2.716 1.00 0.00 O ATOM 0 H GLU A 12 -17.186 9.692 4.276 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.359 7.192 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.236 8.014 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.636 9.270 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.465 10.344 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.047 9.083 1.623 1.00 0.00 H new ATOM 263 N TYR A 13 -17.103 7.492 1.810 1.00 0.00 N ATOM 264 CA TYR A 13 -16.721 6.774 0.603 1.00 0.00 C ATOM 265 C TYR A 13 -15.620 5.756 0.861 1.00 0.00 C ATOM 266 O TYR A 13 -15.775 4.594 0.488 1.00 0.00 O ATOM 267 CB TYR A 13 -16.350 7.761 -0.517 1.00 0.00 C ATOM 268 CG TYR A 13 -17.258 7.633 -1.721 1.00 0.00 C ATOM 269 CD1 TYR A 13 -17.404 6.382 -2.346 1.00 0.00 C ATOM 270 CD2 TYR A 13 -17.985 8.744 -2.188 1.00 0.00 C ATOM 271 CE1 TYR A 13 -18.326 6.230 -3.390 1.00 0.00 C ATOM 272 CE2 TYR A 13 -18.841 8.609 -3.295 1.00 0.00 C ATOM 273 CZ TYR A 13 -19.043 7.341 -3.877 1.00 0.00 C ATOM 274 OH TYR A 13 -19.939 7.196 -4.888 1.00 0.00 O ATOM 0 H TYR A 13 -16.803 8.467 1.815 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.586 6.200 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -16.402 8.780 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.318 7.588 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.808 5.542 -2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -17.885 9.700 -1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.488 5.255 -3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -19.343 9.476 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 13 -19.923 6.270 -5.209 1.00 0.00 H new ATOM 284 N ARG A 14 -14.527 6.170 1.504 1.00 0.00 N ATOM 285 CA ARG A 14 -13.388 5.320 1.828 1.00 0.00 C ATOM 286 C ARG A 14 -13.884 4.102 2.605 1.00 0.00 C ATOM 287 O ARG A 14 -13.471 2.986 2.300 1.00 0.00 O ATOM 288 CB ARG A 14 -12.353 6.146 2.607 1.00 0.00 C ATOM 289 CG ARG A 14 -11.043 5.378 2.859 1.00 0.00 C ATOM 290 CD ARG A 14 -10.104 6.106 3.829 1.00 0.00 C ATOM 291 NE ARG A 14 -10.729 6.250 5.149 1.00 0.00 N ATOM 292 CZ ARG A 14 -10.135 6.412 6.331 1.00 0.00 C ATOM 293 NH1 ARG A 14 -8.823 6.393 6.480 1.00 0.00 N ATOM 294 NH2 ARG A 14 -10.892 6.588 7.395 1.00 0.00 N ATOM 0 H ARG A 14 -14.410 7.132 1.821 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.897 4.953 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.133 7.059 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.781 6.448 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.277 4.391 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.529 5.224 1.910 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.170 5.552 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.853 7.089 3.431 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.749 6.223 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.220 6.250 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.413 6.522 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.908 6.598 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.462 6.714 8.311 1.00 0.00 H new ATOM 308 N LYS A 15 -14.813 4.289 3.556 1.00 0.00 N ATOM 309 CA LYS A 15 -15.345 3.164 4.318 1.00 0.00 C ATOM 310 C LYS A 15 -16.142 2.273 3.373 1.00 0.00 C ATOM 311 O LYS A 15 -15.926 1.058 3.352 1.00 0.00 O ATOM 312 CB LYS A 15 -16.211 3.650 5.496 1.00 0.00 C ATOM 313 CG LYS A 15 -16.242 2.672 6.686 1.00 0.00 C ATOM 314 CD LYS A 15 -16.675 1.259 6.355 1.00 0.00 C ATOM 315 CE LYS A 15 -17.117 0.592 7.656 1.00 0.00 C ATOM 316 NZ LYS A 15 -18.472 0.971 8.113 1.00 0.00 N ATOM 0 H LYS A 15 -15.202 5.197 3.808 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.523 2.592 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.835 4.614 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.230 3.813 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.247 2.634 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.914 3.071 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.492 1.268 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.854 0.704 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.081 -0.489 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.401 0.842 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.779 0.322 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.455 1.944 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.136 0.915 7.315 1.00 0.00 H new ATOM 330 N LYS A 16 -17.072 2.844 2.608 1.00 0.00 N ATOM 331 CA LYS A 16 -17.908 2.103 1.673 1.00 0.00 C ATOM 332 C LYS A 16 -17.089 1.234 0.726 1.00 0.00 C ATOM 333 O LYS A 16 -17.369 0.038 0.643 1.00 0.00 O ATOM 334 CB LYS A 16 -18.817 3.066 0.902 1.00 0.00 C ATOM 335 CG LYS A 16 -20.061 3.448 1.719 1.00 0.00 C ATOM 336 CD LYS A 16 -20.835 4.614 1.086 1.00 0.00 C ATOM 337 CE LYS A 16 -21.239 4.395 -0.379 1.00 0.00 C ATOM 338 NZ LYS A 16 -22.058 3.182 -0.582 1.00 0.00 N ATOM 0 H LYS A 16 -17.266 3.845 2.623 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.531 1.422 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.259 3.967 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.125 2.604 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.718 2.582 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.760 3.721 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.735 4.797 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.225 5.515 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.796 5.264 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.339 4.325 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.298 3.090 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.521 2.345 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.932 3.256 -0.023 1.00 0.00 H new ATOM 352 N GLU A 17 -16.113 1.800 0.014 1.00 0.00 N ATOM 353 CA GLU A 17 -15.281 1.074 -0.944 1.00 0.00 C ATOM 354 C GLU A 17 -14.387 0.040 -0.260 1.00 0.00 C ATOM 355 O GLU A 17 -14.412 -1.125 -0.663 1.00 0.00 O ATOM 356 CB GLU A 17 -14.547 2.047 -1.890 1.00 0.00 C ATOM 357 CG GLU A 17 -13.468 2.921 -1.232 1.00 0.00 C ATOM 358 CD GLU A 17 -13.203 4.253 -1.953 1.00 0.00 C ATOM 359 OE1 GLU A 17 -14.163 4.966 -2.319 1.00 0.00 O ATOM 360 OE2 GLU A 17 -12.020 4.642 -2.115 1.00 0.00 O ATOM 0 H GLU A 17 -15.876 2.789 0.088 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.929 0.480 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.084 1.469 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.285 2.700 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.764 3.131 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.537 2.355 -1.186 1.00 0.00 H new ATOM 367 N GLY A 18 -13.690 0.419 0.817 1.00 0.00 N ATOM 368 CA GLY A 18 -12.808 -0.477 1.552 1.00 0.00 C ATOM 369 C GLY A 18 -13.572 -1.673 2.102 1.00 0.00 C ATOM 370 O GLY A 18 -13.115 -2.817 2.001 1.00 0.00 O ATOM 0 H GLY A 18 -13.726 1.363 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.009 -0.823 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.336 0.065 2.372 1.00 0.00 H new ATOM 374 N GLU A 19 -14.756 -1.433 2.660 1.00 0.00 N ATOM 375 CA GLU A 19 -15.612 -2.471 3.198 1.00 0.00 C ATOM 376 C GLU A 19 -16.066 -3.388 2.061 1.00 0.00 C ATOM 377 O GLU A 19 -16.076 -4.608 2.223 1.00 0.00 O ATOM 378 CB GLU A 19 -16.827 -1.827 3.877 1.00 0.00 C ATOM 379 CG GLU A 19 -17.843 -2.870 4.351 1.00 0.00 C ATOM 380 CD GLU A 19 -19.109 -2.240 4.919 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.712 -1.348 4.272 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.579 -2.710 5.975 1.00 0.00 O ATOM 0 H GLU A 19 -15.148 -0.496 2.749 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.066 -3.060 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.494 -1.234 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.310 -1.142 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.108 -3.519 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.383 -3.501 5.112 1.00 0.00 H new ATOM 389 N LYS A 20 -16.390 -2.832 0.888 1.00 0.00 N ATOM 390 CA LYS A 20 -16.857 -3.642 -0.229 1.00 0.00 C ATOM 391 C LYS A 20 -15.723 -4.531 -0.721 1.00 0.00 C ATOM 392 O LYS A 20 -15.961 -5.721 -0.987 1.00 0.00 O ATOM 393 CB LYS A 20 -17.357 -2.724 -1.370 1.00 0.00 C ATOM 394 CG LYS A 20 -18.259 -3.471 -2.365 1.00 0.00 C ATOM 395 CD LYS A 20 -19.648 -3.789 -1.789 1.00 0.00 C ATOM 396 CE LYS A 20 -20.557 -4.328 -2.897 1.00 0.00 C ATOM 397 NZ LYS A 20 -21.988 -4.212 -2.561 1.00 0.00 N ATOM 0 H LYS A 20 -16.336 -1.832 0.694 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.684 -4.272 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.907 -1.885 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.501 -2.308 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.374 -2.869 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.773 -4.400 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.560 -4.523 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.085 -2.891 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.359 -3.785 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.315 -5.374 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.560 -4.590 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.186 -4.752 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.229 -3.212 -2.408 1.00 0.00 H new ATOM 411 N ILE A 21 -14.507 -4.018 -0.803 1.00 0.00 N ATOM 412 CA ILE A 21 -13.376 -4.800 -1.264 1.00 0.00 C ATOM 413 C ILE A 21 -12.988 -5.861 -0.235 1.00 0.00 C ATOM 414 O ILE A 21 -12.740 -6.984 -0.653 1.00 0.00 O ATOM 415 CB ILE A 21 -12.244 -3.820 -1.643 1.00 0.00 C ATOM 416 CG1 ILE A 21 -12.547 -3.190 -3.022 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.826 -4.410 -1.618 1.00 0.00 C ATOM 418 CD1 ILE A 21 -12.400 -4.151 -4.209 1.00 0.00 C ATOM 0 H ILE A 21 -14.278 -3.056 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.624 -5.374 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.237 -3.061 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.564 -2.798 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.880 -2.341 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.107 -3.641 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.599 -4.769 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.764 -5.239 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.632 -3.624 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.377 -4.524 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.087 -4.988 -4.087 1.00 0.00 H new ATOM 430 N ARG A 22 -13.155 -5.629 1.079 1.00 0.00 N ATOM 431 CA ARG A 22 -12.784 -6.651 2.066 1.00 0.00 C ATOM 432 C ARG A 22 -13.855 -7.711 2.178 1.00 0.00 C ATOM 433 O ARG A 22 -13.554 -8.895 2.272 1.00 0.00 O ATOM 434 CB ARG A 22 -12.330 -6.034 3.387 1.00 0.00 C ATOM 435 CG ARG A 22 -13.421 -5.683 4.387 1.00 0.00 C ATOM 436 CD ARG A 22 -13.653 -6.819 5.377 1.00 0.00 C ATOM 437 NE ARG A 22 -14.462 -6.323 6.499 1.00 0.00 N ATOM 438 CZ ARG A 22 -15.398 -6.977 7.186 1.00 0.00 C ATOM 439 NH1 ARG A 22 -15.722 -8.224 6.876 1.00 0.00 N ATOM 440 NH2 ARG A 22 -16.043 -6.351 8.164 1.00 0.00 N ATOM 0 H ARG A 22 -13.534 -4.767 1.472 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.900 -7.181 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.639 -6.727 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.768 -5.127 3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.144 -4.778 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.348 -5.466 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.161 -7.648 4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.699 -7.201 5.741 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.286 -5.361 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.253 -8.696 6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.440 -8.712 7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.820 -5.380 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.761 -6.841 8.697 1.00 0.00 H new ATOM 454 N LYS A 23 -15.128 -7.314 2.142 1.00 0.00 N ATOM 455 CA LYS A 23 -16.206 -8.282 2.226 1.00 0.00 C ATOM 456 C LYS A 23 -16.186 -9.145 0.960 1.00 0.00 C ATOM 457 O LYS A 23 -16.556 -10.321 1.061 1.00 0.00 O ATOM 458 CB LYS A 23 -17.539 -7.578 2.541 1.00 0.00 C ATOM 459 CG LYS A 23 -17.490 -7.057 3.992 1.00 0.00 C ATOM 460 CD LYS A 23 -18.811 -6.469 4.494 1.00 0.00 C ATOM 461 CE LYS A 23 -18.638 -6.072 5.971 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.812 -5.369 6.528 1.00 0.00 N ATOM 0 H LYS A 23 -15.428 -6.343 2.056 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.071 -8.971 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.704 -6.753 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.371 -8.271 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.196 -7.875 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.715 -6.294 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.090 -5.600 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.614 -7.198 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.446 -6.968 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.761 -5.433 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.915 -5.609 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.681 -4.342 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.667 -5.660 6.013 1.00 0.00 H new ATOM 476 N LYS A 24 -15.715 -8.620 -0.187 1.00 0.00 N ATOM 477 CA LYS A 24 -15.632 -9.381 -1.432 1.00 0.00 C ATOM 478 C LYS A 24 -14.370 -10.258 -1.460 1.00 0.00 C ATOM 479 O LYS A 24 -14.471 -11.438 -1.789 1.00 0.00 O ATOM 480 CB LYS A 24 -15.630 -8.462 -2.674 1.00 0.00 C ATOM 481 CG LYS A 24 -15.712 -9.396 -3.886 1.00 0.00 C ATOM 482 CD LYS A 24 -16.110 -8.703 -5.176 1.00 0.00 C ATOM 483 CE LYS A 24 -15.864 -9.644 -6.362 1.00 0.00 C ATOM 484 NZ LYS A 24 -16.606 -10.925 -6.274 1.00 0.00 N ATOM 0 H LYS A 24 -15.384 -7.659 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.520 -10.013 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.475 -7.774 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.726 -7.854 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.744 -9.876 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.432 -10.187 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.161 -8.417 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.534 -7.786 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.146 -9.134 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.797 -9.857 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.459 -11.472 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.260 -11.471 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.621 -10.731 -6.155 1.00 0.00 H new ATOM 498 N TYR A 25 -13.209 -9.717 -1.091 1.00 0.00 N ATOM 499 CA TYR A 25 -11.921 -10.399 -1.084 1.00 0.00 C ATOM 500 C TYR A 25 -11.348 -10.359 0.336 1.00 0.00 C ATOM 501 O TYR A 25 -10.471 -9.542 0.629 1.00 0.00 O ATOM 502 CB TYR A 25 -10.961 -9.726 -2.088 1.00 0.00 C ATOM 503 CG TYR A 25 -11.479 -9.429 -3.486 1.00 0.00 C ATOM 504 CD1 TYR A 25 -12.084 -10.431 -4.272 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.273 -8.147 -4.034 1.00 0.00 C ATOM 506 CE1 TYR A 25 -12.494 -10.144 -5.587 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.711 -7.845 -5.332 1.00 0.00 C ATOM 508 CZ TYR A 25 -12.327 -8.842 -6.116 1.00 0.00 C ATOM 509 OH TYR A 25 -12.774 -8.548 -7.369 1.00 0.00 O ATOM 0 H TYR A 25 -13.141 -8.749 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.046 -11.438 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.626 -8.786 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.082 -10.363 -2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.233 -11.420 -3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.773 -7.390 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.937 -10.919 -6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.577 -6.850 -5.730 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.580 -7.610 -7.574 1.00 0.00 H new ATOM 519 N PRO A 26 -11.819 -11.210 1.259 1.00 0.00 N ATOM 520 CA PRO A 26 -11.302 -11.198 2.622 1.00 0.00 C ATOM 521 C PRO A 26 -9.856 -11.704 2.710 1.00 0.00 C ATOM 522 O PRO A 26 -9.180 -11.439 3.705 1.00 0.00 O ATOM 523 CB PRO A 26 -12.263 -12.087 3.412 1.00 0.00 C ATOM 524 CG PRO A 26 -12.771 -13.082 2.366 1.00 0.00 C ATOM 525 CD PRO A 26 -12.845 -12.228 1.099 1.00 0.00 C ATOM 0 HA PRO A 26 -11.257 -10.184 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.757 -12.593 4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.079 -11.509 3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.092 -13.926 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.744 -13.492 2.636 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.665 -12.830 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.831 -11.778 0.986 1.00 0.00 H new ATOM 533 N ASP A 27 -9.397 -12.408 1.670 1.00 0.00 N ATOM 534 CA ASP A 27 -8.089 -13.031 1.470 1.00 0.00 C ATOM 535 C ASP A 27 -7.016 -12.073 0.946 1.00 0.00 C ATOM 536 O ASP A 27 -5.836 -12.429 0.898 1.00 0.00 O ATOM 537 CB ASP A 27 -8.199 -14.231 0.476 1.00 0.00 C ATOM 538 CG ASP A 27 -9.590 -14.510 -0.133 1.00 0.00 C ATOM 539 OD1 ASP A 27 -10.226 -13.584 -0.696 1.00 0.00 O ATOM 540 OD2 ASP A 27 -10.074 -15.655 -0.002 1.00 0.00 O ATOM 0 H ASP A 27 -9.999 -12.571 0.863 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.779 -13.365 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.499 -14.059 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.869 -15.132 0.994 1.00 0.00 H new ATOM 545 N ARG A 28 -7.413 -10.893 0.477 1.00 0.00 N ATOM 546 CA ARG A 28 -6.547 -9.863 -0.085 1.00 0.00 C ATOM 547 C ARG A 28 -6.774 -8.573 0.691 1.00 0.00 C ATOM 548 O ARG A 28 -7.767 -8.467 1.411 1.00 0.00 O ATOM 549 CB ARG A 28 -6.817 -9.705 -1.596 1.00 0.00 C ATOM 550 CG ARG A 28 -6.033 -10.658 -2.523 1.00 0.00 C ATOM 551 CD ARG A 28 -6.436 -12.142 -2.516 1.00 0.00 C ATOM 552 NE ARG A 28 -5.661 -12.929 -3.500 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.772 -12.887 -4.839 1.00 0.00 C ATOM 554 NH1 ARG A 28 -6.647 -12.101 -5.448 1.00 0.00 N ATOM 555 NH2 ARG A 28 -5.004 -13.633 -5.615 1.00 0.00 N ATOM 0 H ARG A 28 -8.395 -10.617 0.479 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.498 -10.141 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.882 -9.852 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.585 -8.679 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.127 -10.288 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.978 -10.594 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.283 -12.555 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.500 -12.230 -2.737 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.967 -13.574 -3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.264 -11.502 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.704 -12.094 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.311 -14.256 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.105 -13.586 -6.629 1.00 0.00 H new ATOM 569 N VAL A 29 -5.844 -7.623 0.602 1.00 0.00 N ATOM 570 CA VAL A 29 -5.941 -6.353 1.303 1.00 0.00 C ATOM 571 C VAL A 29 -5.408 -5.195 0.433 1.00 0.00 C ATOM 572 O VAL A 29 -4.330 -5.322 -0.182 1.00 0.00 O ATOM 573 CB VAL A 29 -5.247 -6.506 2.676 1.00 0.00 C ATOM 574 CG1 VAL A 29 -3.783 -6.967 2.586 1.00 0.00 C ATOM 575 CG2 VAL A 29 -5.333 -5.215 3.495 1.00 0.00 C ATOM 0 H VAL A 29 -5.000 -7.718 0.038 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.980 -6.085 1.493 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.798 -7.298 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.366 -7.051 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.737 -7.937 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.207 -6.240 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.835 -5.359 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.846 -4.406 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.379 -4.960 3.664 1.00 0.00 H new ATOM 585 N PRO A 30 -6.134 -4.057 0.347 1.00 0.00 N ATOM 586 CA PRO A 30 -5.710 -2.899 -0.415 1.00 0.00 C ATOM 587 C PRO A 30 -4.729 -2.069 0.434 1.00 0.00 C ATOM 588 O PRO A 30 -4.990 -1.747 1.599 1.00 0.00 O ATOM 589 CB PRO A 30 -6.987 -2.133 -0.744 1.00 0.00 C ATOM 590 CG PRO A 30 -7.858 -2.381 0.482 1.00 0.00 C ATOM 591 CD PRO A 30 -7.418 -3.763 0.977 1.00 0.00 C ATOM 0 HA PRO A 30 -5.184 -3.158 -1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.794 -1.071 -0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.457 -2.503 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.703 -1.616 1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.918 -2.367 0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.325 -3.771 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.158 -4.519 0.715 1.00 0.00 H new ATOM 599 N VAL A 31 -3.599 -1.689 -0.159 1.00 0.00 N ATOM 600 CA VAL A 31 -2.552 -0.923 0.499 1.00 0.00 C ATOM 601 C VAL A 31 -2.323 0.381 -0.254 1.00 0.00 C ATOM 602 O VAL A 31 -2.378 0.430 -1.489 1.00 0.00 O ATOM 603 CB VAL A 31 -1.275 -1.779 0.606 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.114 -1.023 1.251 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.498 -3.044 1.454 1.00 0.00 C ATOM 0 H VAL A 31 -3.385 -1.912 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.852 -0.662 1.514 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.031 -2.039 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.760 -1.673 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.123 -0.142 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.395 -0.714 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.572 -3.617 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.801 -2.758 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.279 -3.654 1.000 1.00 0.00 H new ATOM 615 N ILE A 32 -2.111 1.445 0.512 1.00 0.00 N ATOM 616 CA ILE A 32 -1.824 2.800 0.062 1.00 0.00 C ATOM 617 C ILE A 32 -0.297 2.844 0.155 1.00 0.00 C ATOM 618 O ILE A 32 0.238 2.508 1.210 1.00 0.00 O ATOM 619 CB ILE A 32 -2.513 3.822 0.999 1.00 0.00 C ATOM 620 CG1 ILE A 32 -4.049 3.671 0.894 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.080 5.259 0.655 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.829 4.457 1.948 1.00 0.00 C ATOM 0 H ILE A 32 -2.137 1.379 1.530 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.188 3.047 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.208 3.621 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.368 3.997 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.306 2.615 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.577 5.959 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.000 5.351 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.356 5.486 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.898 4.297 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.542 4.116 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.605 5.519 1.850 1.00 0.00 H new ATOM 634 N VAL A 33 0.415 3.194 -0.920 1.00 0.00 N ATOM 635 CA VAL A 33 1.877 3.234 -0.907 1.00 0.00 C ATOM 636 C VAL A 33 2.310 4.665 -1.239 1.00 0.00 C ATOM 637 O VAL A 33 2.118 5.108 -2.370 1.00 0.00 O ATOM 638 CB VAL A 33 2.397 2.152 -1.883 1.00 0.00 C ATOM 639 CG1 VAL A 33 3.926 2.117 -1.975 1.00 0.00 C ATOM 640 CG2 VAL A 33 1.939 0.741 -1.471 1.00 0.00 C ATOM 0 H VAL A 33 -0.002 3.455 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 33 2.309 2.998 0.065 1.00 0.00 H new ATOM 0 HB VAL A 33 1.977 2.429 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.231 1.338 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.292 3.082 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.345 1.905 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.325 0.011 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.317 0.512 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.850 0.700 -1.464 1.00 0.00 H new ATOM 650 N GLU A 34 3.008 5.345 -0.320 1.00 0.00 N ATOM 651 CA GLU A 34 3.467 6.733 -0.482 1.00 0.00 C ATOM 652 C GLU A 34 4.979 6.878 -0.344 1.00 0.00 C ATOM 653 O GLU A 34 5.609 6.176 0.449 1.00 0.00 O ATOM 654 CB GLU A 34 2.810 7.610 0.591 1.00 0.00 C ATOM 655 CG GLU A 34 1.342 7.877 0.264 1.00 0.00 C ATOM 656 CD GLU A 34 0.559 8.560 1.384 1.00 0.00 C ATOM 657 OE1 GLU A 34 1.144 9.059 2.377 1.00 0.00 O ATOM 658 OE2 GLU A 34 -0.686 8.570 1.261 1.00 0.00 O ATOM 0 H GLU A 34 3.276 4.938 0.576 1.00 0.00 H new ATOM 0 HA GLU A 34 3.186 7.042 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.886 7.120 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.346 8.556 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.289 8.498 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.858 6.930 0.024 1.00 0.00 H new ATOM 665 N LYS A 35 5.566 7.813 -1.094 1.00 0.00 N ATOM 666 CA LYS A 35 7.005 8.060 -1.065 1.00 0.00 C ATOM 667 C LYS A 35 7.335 9.044 0.054 1.00 0.00 C ATOM 668 O LYS A 35 6.586 10.002 0.291 1.00 0.00 O ATOM 669 CB LYS A 35 7.510 8.473 -2.461 1.00 0.00 C ATOM 670 CG LYS A 35 7.347 9.947 -2.884 1.00 0.00 C ATOM 671 CD LYS A 35 8.453 10.909 -2.412 1.00 0.00 C ATOM 672 CE LYS A 35 9.846 10.372 -2.769 1.00 0.00 C ATOM 673 NZ LYS A 35 10.923 11.356 -2.555 1.00 0.00 N ATOM 0 H LYS A 35 5.056 8.418 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 35 7.548 7.145 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.570 8.224 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.996 7.856 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.296 9.989 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.391 10.310 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.309 11.887 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.380 11.050 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.050 9.484 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.851 10.060 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.835 10.938 -2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.741 12.201 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.954 11.624 -1.551 1.00 0.00 H new ATOM 687 N ALA A 36 8.430 8.811 0.764 1.00 0.00 N ATOM 688 CA ALA A 36 8.890 9.652 1.860 1.00 0.00 C ATOM 689 C ALA A 36 9.852 10.726 1.341 1.00 0.00 C ATOM 690 O ALA A 36 10.431 10.583 0.253 1.00 0.00 O ATOM 691 CB ALA A 36 9.629 8.735 2.840 1.00 0.00 C ATOM 0 H ALA A 36 9.039 8.011 0.589 1.00 0.00 H new ATOM 0 HA ALA A 36 8.049 10.155 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.994 9.322 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.948 7.965 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.472 8.264 2.333 1.00 0.00 H new ATOM 697 N PRO A 37 10.018 11.831 2.079 1.00 0.00 N ATOM 698 CA PRO A 37 10.941 12.888 1.700 1.00 0.00 C ATOM 699 C PRO A 37 12.367 12.338 1.886 1.00 0.00 C ATOM 700 O PRO A 37 12.561 11.316 2.542 1.00 0.00 O ATOM 701 CB PRO A 37 10.598 14.051 2.631 1.00 0.00 C ATOM 702 CG PRO A 37 10.058 13.368 3.888 1.00 0.00 C ATOM 703 CD PRO A 37 9.386 12.115 3.357 1.00 0.00 C ATOM 0 HA PRO A 37 10.871 13.226 0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.476 14.658 2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.856 14.714 2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.858 13.127 4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.352 14.007 4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.513 11.282 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.314 12.269 3.236 1.00 0.00 H new ATOM 711 N LYS A 38 13.381 13.013 1.336 1.00 0.00 N ATOM 712 CA LYS A 38 14.792 12.593 1.419 1.00 0.00 C ATOM 713 C LYS A 38 15.038 11.211 0.770 1.00 0.00 C ATOM 714 O LYS A 38 16.129 10.663 0.902 1.00 0.00 O ATOM 715 CB LYS A 38 15.352 12.698 2.862 1.00 0.00 C ATOM 716 CG LYS A 38 15.558 14.120 3.417 1.00 0.00 C ATOM 717 CD LYS A 38 14.283 14.958 3.564 1.00 0.00 C ATOM 718 CE LYS A 38 14.480 16.220 4.412 1.00 0.00 C ATOM 719 NZ LYS A 38 14.472 15.952 5.864 1.00 0.00 N ATOM 0 H LYS A 38 13.248 13.878 0.813 1.00 0.00 H new ATOM 0 HA LYS A 38 15.365 13.303 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.675 12.166 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.309 12.177 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.038 14.045 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.248 14.651 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.930 15.246 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.503 14.344 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.426 16.688 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.692 16.935 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.609 16.843 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.560 15.531 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.241 15.292 6.100 1.00 0.00 H new ATOM 733 N ALA A 39 14.077 10.646 0.028 1.00 0.00 N ATOM 734 CA ALA A 39 14.197 9.353 -0.636 1.00 0.00 C ATOM 735 C ALA A 39 14.494 9.541 -2.127 1.00 0.00 C ATOM 736 O ALA A 39 13.708 10.187 -2.834 1.00 0.00 O ATOM 737 CB ALA A 39 12.893 8.567 -0.473 1.00 0.00 C ATOM 0 H ALA A 39 13.173 11.092 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 39 15.019 8.802 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.986 7.601 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.692 8.412 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.072 9.128 -0.920 1.00 0.00 H new ATOM 743 N ARG A 40 15.593 8.962 -2.616 1.00 0.00 N ATOM 744 CA ARG A 40 16.021 9.026 -4.011 1.00 0.00 C ATOM 745 C ARG A 40 15.548 7.753 -4.717 1.00 0.00 C ATOM 746 O ARG A 40 16.293 6.788 -4.838 1.00 0.00 O ATOM 747 CB ARG A 40 17.552 9.205 -4.054 1.00 0.00 C ATOM 748 CG ARG A 40 18.132 9.712 -5.388 1.00 0.00 C ATOM 749 CD ARG A 40 18.109 8.736 -6.571 1.00 0.00 C ATOM 750 NE ARG A 40 18.914 7.539 -6.294 1.00 0.00 N ATOM 751 CZ ARG A 40 18.676 6.300 -6.735 1.00 0.00 C ATOM 752 NH1 ARG A 40 17.771 6.060 -7.679 1.00 0.00 N ATOM 753 NH2 ARG A 40 19.388 5.303 -6.238 1.00 0.00 N ATOM 0 H ARG A 40 16.228 8.419 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 40 15.583 9.877 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 40 17.839 9.902 -3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.017 8.248 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 40 17.584 10.608 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.166 10.012 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.081 8.444 -6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.490 9.234 -7.463 1.00 0.00 H new ATOM 0 HE ARG A 40 19.738 7.666 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.240 6.831 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.608 5.105 -7.998 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.102 5.488 -5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.224 4.349 -6.560 1.00 0.00 H new ATOM 767 N VAL A 41 14.287 7.726 -5.132 1.00 0.00 N ATOM 768 CA VAL A 41 13.669 6.603 -5.841 1.00 0.00 C ATOM 769 C VAL A 41 12.881 7.186 -7.020 1.00 0.00 C ATOM 770 O VAL A 41 12.511 8.362 -6.936 1.00 0.00 O ATOM 771 CB VAL A 41 12.777 5.791 -4.872 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.624 4.942 -3.919 1.00 0.00 C ATOM 773 CG2 VAL A 41 11.824 6.663 -4.032 1.00 0.00 C ATOM 0 H VAL A 41 13.645 8.505 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 41 14.416 5.907 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 41 12.170 5.154 -5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.969 4.383 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.233 4.246 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.273 5.592 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.230 6.026 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.405 7.361 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.161 7.220 -4.694 1.00 0.00 H new ATOM 783 N PRO A 42 12.609 6.447 -8.114 1.00 0.00 N ATOM 784 CA PRO A 42 11.835 7.016 -9.208 1.00 0.00 C ATOM 785 C PRO A 42 10.403 7.215 -8.716 1.00 0.00 C ATOM 786 O PRO A 42 9.952 6.543 -7.785 1.00 0.00 O ATOM 787 CB PRO A 42 11.930 6.027 -10.367 1.00 0.00 C ATOM 788 CG PRO A 42 12.204 4.688 -9.684 1.00 0.00 C ATOM 789 CD PRO A 42 12.964 5.062 -8.401 1.00 0.00 C ATOM 0 HA PRO A 42 12.202 7.986 -9.544 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.007 5.999 -10.945 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.730 6.295 -11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.277 4.160 -9.458 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.797 4.031 -10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 42 12.682 4.408 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.040 4.955 -8.539 1.00 0.00 H new ATOM 797 N ASP A 43 9.673 8.137 -9.330 1.00 0.00 N ATOM 798 CA ASP A 43 8.299 8.442 -8.948 1.00 0.00 C ATOM 799 C ASP A 43 7.325 7.489 -9.646 1.00 0.00 C ATOM 800 O ASP A 43 7.711 6.779 -10.585 1.00 0.00 O ATOM 801 CB ASP A 43 7.988 9.914 -9.241 1.00 0.00 C ATOM 802 CG ASP A 43 7.865 10.227 -10.731 1.00 0.00 C ATOM 803 OD1 ASP A 43 8.805 9.915 -11.500 1.00 0.00 O ATOM 804 OD2 ASP A 43 6.865 10.865 -11.118 1.00 0.00 O ATOM 0 H ASP A 43 10.018 8.697 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 43 8.177 8.290 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.058 10.186 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.774 10.535 -8.811 1.00 0.00 H new ATOM 809 N LEU A 44 6.101 7.382 -9.115 1.00 0.00 N ATOM 810 CA LEU A 44 5.055 6.510 -9.640 1.00 0.00 C ATOM 811 C LEU A 44 3.696 7.177 -9.703 1.00 0.00 C ATOM 812 O LEU A 44 3.349 7.981 -8.840 1.00 0.00 O ATOM 813 CB LEU A 44 4.914 5.266 -8.743 1.00 0.00 C ATOM 814 CG LEU A 44 5.762 4.078 -9.207 1.00 0.00 C ATOM 815 CD1 LEU A 44 5.773 3.021 -8.101 1.00 0.00 C ATOM 816 CD2 LEU A 44 5.198 3.481 -10.506 1.00 0.00 C ATOM 0 H LEU A 44 5.809 7.911 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 44 5.361 6.251 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.198 5.529 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.867 4.965 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 44 6.779 4.416 -9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.374 2.169 -8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.200 3.448 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.753 2.692 -7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.816 2.639 -10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.177 3.139 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.201 4.241 -11.287 1.00 0.00 H new ATOM 828 N ASP A 45 2.887 6.744 -10.666 1.00 0.00 N ATOM 829 CA ASP A 45 1.520 7.217 -10.862 1.00 0.00 C ATOM 830 C ASP A 45 0.601 6.351 -9.987 1.00 0.00 C ATOM 831 O ASP A 45 -0.459 6.778 -9.534 1.00 0.00 O ATOM 832 CB ASP A 45 1.022 7.072 -12.322 1.00 0.00 C ATOM 833 CG ASP A 45 2.086 7.038 -13.416 1.00 0.00 C ATOM 834 OD1 ASP A 45 2.931 6.111 -13.416 1.00 0.00 O ATOM 835 OD2 ASP A 45 2.028 7.886 -14.340 1.00 0.00 O ATOM 0 H ASP A 45 3.170 6.039 -11.347 1.00 0.00 H new ATOM 0 HA ASP A 45 1.502 8.276 -10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.436 6.156 -12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.345 7.900 -12.533 1.00 0.00 H new ATOM 840 N LYS A 46 0.969 5.077 -9.803 1.00 0.00 N ATOM 841 CA LYS A 46 0.232 4.085 -9.033 1.00 0.00 C ATOM 842 C LYS A 46 0.465 4.313 -7.546 1.00 0.00 C ATOM 843 O LYS A 46 1.609 4.303 -7.096 1.00 0.00 O ATOM 844 CB LYS A 46 0.671 2.663 -9.426 1.00 0.00 C ATOM 845 CG LYS A 46 0.105 2.192 -10.778 1.00 0.00 C ATOM 846 CD LYS A 46 0.779 2.812 -12.009 1.00 0.00 C ATOM 847 CE LYS A 46 0.243 2.196 -13.303 1.00 0.00 C ATOM 848 NZ LYS A 46 -1.106 2.681 -13.669 1.00 0.00 N ATOM 0 H LYS A 46 1.826 4.700 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.831 4.189 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.760 2.626 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.356 1.967 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.199 1.108 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.960 2.422 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.607 3.888 -12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.857 2.662 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.934 2.418 -14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.215 1.112 -13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.410 2.226 -14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.777 2.446 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.080 3.712 -13.801 1.00 0.00 H new ATOM 862 N ARG A 47 -0.627 4.455 -6.791 1.00 0.00 N ATOM 863 CA ARG A 47 -0.588 4.678 -5.343 1.00 0.00 C ATOM 864 C ARG A 47 -1.417 3.686 -4.528 1.00 0.00 C ATOM 865 O ARG A 47 -1.243 3.620 -3.313 1.00 0.00 O ATOM 866 CB ARG A 47 -1.056 6.120 -5.062 1.00 0.00 C ATOM 867 CG ARG A 47 -0.065 7.200 -5.538 1.00 0.00 C ATOM 868 CD ARG A 47 1.178 7.223 -4.643 1.00 0.00 C ATOM 869 NE ARG A 47 2.384 7.627 -5.378 1.00 0.00 N ATOM 870 CZ ARG A 47 3.603 7.088 -5.253 1.00 0.00 C ATOM 871 NH1 ARG A 47 3.821 6.055 -4.449 1.00 0.00 N ATOM 872 NH2 ARG A 47 4.642 7.598 -5.903 1.00 0.00 N ATOM 0 H ARG A 47 -1.573 4.418 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 47 0.441 4.520 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.017 6.282 -5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.219 6.237 -3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.227 7.004 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.548 8.177 -5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.013 7.910 -3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.332 6.234 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 47 2.283 8.390 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.052 5.656 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.758 5.660 -4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.517 8.411 -6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.565 7.177 -5.799 1.00 0.00 H new ATOM 886 N LYS A 48 -2.290 2.904 -5.174 1.00 0.00 N ATOM 887 CA LYS A 48 -3.166 1.930 -4.535 1.00 0.00 C ATOM 888 C LYS A 48 -2.923 0.560 -5.142 1.00 0.00 C ATOM 889 O LYS A 48 -3.053 0.392 -6.355 1.00 0.00 O ATOM 890 CB LYS A 48 -4.645 2.367 -4.588 1.00 0.00 C ATOM 891 CG LYS A 48 -5.205 2.982 -5.885 1.00 0.00 C ATOM 892 CD LYS A 48 -4.671 4.390 -6.206 1.00 0.00 C ATOM 893 CE LYS A 48 -5.664 5.244 -6.995 1.00 0.00 C ATOM 894 NZ LYS A 48 -6.074 4.636 -8.274 1.00 0.00 N ATOM 0 H LYS A 48 -2.405 2.937 -6.187 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.926 1.870 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.253 1.494 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.801 3.091 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.969 2.319 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.292 3.027 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.423 4.899 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.746 4.300 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.549 5.417 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.217 6.219 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.706 5.288 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.232 4.448 -8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.573 3.743 -8.089 1.00 0.00 H new ATOM 908 N TYR A 49 -2.602 -0.406 -4.292 1.00 0.00 N ATOM 909 CA TYR A 49 -2.306 -1.776 -4.672 1.00 0.00 C ATOM 910 C TYR A 49 -3.214 -2.734 -3.922 1.00 0.00 C ATOM 911 O TYR A 49 -3.833 -2.352 -2.933 1.00 0.00 O ATOM 912 CB TYR A 49 -0.849 -2.072 -4.312 1.00 0.00 C ATOM 913 CG TYR A 49 0.195 -1.331 -5.123 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.720 -1.919 -6.287 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.706 -0.102 -4.667 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.790 -1.313 -6.965 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.779 0.510 -5.337 1.00 0.00 C ATOM 918 CZ TYR A 49 2.339 -0.108 -6.476 1.00 0.00 C ATOM 919 OH TYR A 49 3.423 0.432 -7.086 1.00 0.00 O ATOM 0 H TYR A 49 -2.539 -0.250 -3.286 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.469 -1.904 -5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.699 -1.834 -3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.677 -3.142 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.299 -2.840 -6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.272 0.373 -3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.192 -1.768 -7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.174 1.450 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 49 3.677 1.261 -6.629 1.00 0.00 H new ATOM 929 N LEU A 50 -3.241 -4.001 -4.326 1.00 0.00 N ATOM 930 CA LEU A 50 -4.025 -5.087 -3.750 1.00 0.00 C ATOM 931 C LEU A 50 -3.097 -6.305 -3.691 1.00 0.00 C ATOM 932 O LEU A 50 -2.551 -6.679 -4.730 1.00 0.00 O ATOM 933 CB LEU A 50 -5.279 -5.272 -4.616 1.00 0.00 C ATOM 934 CG LEU A 50 -6.216 -6.392 -4.136 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.613 -6.163 -4.729 1.00 0.00 C ATOM 936 CD2 LEU A 50 -5.714 -7.791 -4.510 1.00 0.00 C ATOM 0 H LEU A 50 -2.678 -4.316 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.384 -4.900 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.834 -4.334 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.972 -5.484 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.247 -6.352 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.285 -6.953 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.995 -5.197 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.553 -6.176 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.417 -8.540 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.631 -7.870 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.737 -7.960 -4.058 1.00 0.00 H new ATOM 948 N VAL A 51 -2.905 -6.899 -2.504 1.00 0.00 N ATOM 949 CA VAL A 51 -2.019 -8.060 -2.306 1.00 0.00 C ATOM 950 C VAL A 51 -2.664 -9.105 -1.381 1.00 0.00 C ATOM 951 O VAL A 51 -3.514 -8.715 -0.578 1.00 0.00 O ATOM 952 CB VAL A 51 -0.672 -7.590 -1.690 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.065 -6.558 -2.554 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.826 -7.008 -0.275 1.00 0.00 C ATOM 0 H VAL A 51 -3.362 -6.587 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.846 -8.522 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.078 -8.503 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.997 -6.273 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.285 -6.991 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.562 -5.676 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.150 -6.698 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.493 -6.146 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.244 -7.766 0.387 1.00 0.00 H new ATOM 964 N PRO A 52 -2.283 -10.396 -1.450 1.00 0.00 N ATOM 965 CA PRO A 52 -2.819 -11.442 -0.582 1.00 0.00 C ATOM 966 C PRO A 52 -2.211 -11.307 0.821 1.00 0.00 C ATOM 967 O PRO A 52 -1.064 -10.872 0.957 1.00 0.00 O ATOM 968 CB PRO A 52 -2.418 -12.759 -1.246 1.00 0.00 C ATOM 969 CG PRO A 52 -1.111 -12.419 -1.953 1.00 0.00 C ATOM 970 CD PRO A 52 -1.308 -10.963 -2.372 1.00 0.00 C ATOM 0 HA PRO A 52 -3.901 -11.381 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.282 -13.553 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.177 -13.101 -1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.253 -12.535 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.939 -13.066 -2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.367 -10.415 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.664 -10.900 -3.400 1.00 0.00 H new ATOM 978 N SER A 53 -2.939 -11.716 1.865 1.00 0.00 N ATOM 979 CA SER A 53 -2.443 -11.611 3.240 1.00 0.00 C ATOM 980 C SER A 53 -1.265 -12.549 3.565 1.00 0.00 C ATOM 981 O SER A 53 -0.356 -12.158 4.297 1.00 0.00 O ATOM 982 CB SER A 53 -3.596 -11.756 4.247 1.00 0.00 C ATOM 983 OG SER A 53 -4.709 -12.458 3.727 1.00 0.00 O ATOM 0 H SER A 53 -3.871 -12.122 1.784 1.00 0.00 H new ATOM 0 HA SER A 53 -2.024 -10.609 3.334 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.231 -12.274 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.917 -10.764 4.566 1.00 0.00 H new ATOM 0 HG SER A 53 -5.407 -12.519 4.412 1.00 0.00 H new ATOM 989 N ASP A 54 -1.199 -13.736 2.961 1.00 0.00 N ATOM 990 CA ASP A 54 -0.136 -14.719 3.213 1.00 0.00 C ATOM 991 C ASP A 54 1.258 -14.312 2.705 1.00 0.00 C ATOM 992 O ASP A 54 2.236 -15.011 2.978 1.00 0.00 O ATOM 993 CB ASP A 54 -0.538 -16.080 2.607 1.00 0.00 C ATOM 994 CG ASP A 54 -1.498 -16.903 3.467 1.00 0.00 C ATOM 995 OD1 ASP A 54 -1.744 -16.564 4.642 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.081 -17.880 2.933 1.00 0.00 O ATOM 0 H ASP A 54 -1.887 -14.048 2.276 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.042 -14.781 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.000 -15.907 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.365 -16.665 2.432 1.00 0.00 H new ATOM 1001 N LEU A 55 1.397 -13.207 1.968 1.00 0.00 N ATOM 1002 CA LEU A 55 2.686 -12.773 1.431 1.00 0.00 C ATOM 1003 C LEU A 55 3.576 -12.114 2.494 1.00 0.00 C ATOM 1004 O LEU A 55 3.180 -11.105 3.080 1.00 0.00 O ATOM 1005 CB LEU A 55 2.417 -11.824 0.254 1.00 0.00 C ATOM 1006 CG LEU A 55 3.672 -11.438 -0.545 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.287 -12.661 -1.231 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.307 -10.393 -1.604 1.00 0.00 C ATOM 0 H LEU A 55 0.621 -12.591 1.728 1.00 0.00 H new ATOM 0 HA LEU A 55 3.241 -13.647 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.701 -12.294 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.949 -10.916 0.634 1.00 0.00 H new ATOM 0 HG LEU A 55 4.404 -11.026 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.173 -12.358 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.566 -13.398 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.560 -13.099 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.198 -10.121 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.560 -10.807 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.902 -9.506 -1.116 1.00 0.00 H new ATOM 1020 N THR A 56 4.798 -12.617 2.699 1.00 0.00 N ATOM 1021 CA THR A 56 5.787 -12.109 3.660 1.00 0.00 C ATOM 1022 C THR A 56 6.264 -10.700 3.265 1.00 0.00 C ATOM 1023 O THR A 56 6.365 -10.419 2.064 1.00 0.00 O ATOM 1024 CB THR A 56 6.987 -13.080 3.692 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.567 -14.431 3.599 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.846 -12.917 4.947 1.00 0.00 C ATOM 0 H THR A 56 5.141 -13.424 2.178 1.00 0.00 H new ATOM 0 HA THR A 56 5.328 -12.043 4.646 1.00 0.00 H new ATOM 0 HB THR A 56 7.593 -12.823 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.350 -15.019 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.674 -13.625 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.238 -11.901 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.238 -13.109 5.831 1.00 0.00 H new ATOM 1034 N VAL A 57 6.620 -9.828 4.223 1.00 0.00 N ATOM 1035 CA VAL A 57 7.093 -8.474 3.931 1.00 0.00 C ATOM 1036 C VAL A 57 8.323 -8.537 3.016 1.00 0.00 C ATOM 1037 O VAL A 57 8.378 -7.821 2.020 1.00 0.00 O ATOM 1038 CB VAL A 57 7.367 -7.650 5.217 1.00 0.00 C ATOM 1039 CG1 VAL A 57 6.139 -7.423 6.101 1.00 0.00 C ATOM 1040 CG2 VAL A 57 8.432 -8.240 6.138 1.00 0.00 C ATOM 0 H VAL A 57 6.586 -10.046 5.219 1.00 0.00 H new ATOM 0 HA VAL A 57 6.297 -7.945 3.406 1.00 0.00 H new ATOM 0 HB VAL A 57 7.711 -6.710 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.424 -6.839 6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.379 -6.884 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.739 -8.385 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.556 -7.597 7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.123 -9.234 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.378 -8.310 5.602 1.00 0.00 H new ATOM 1050 N GLY A 58 9.257 -9.464 3.272 1.00 0.00 N ATOM 1051 CA GLY A 58 10.481 -9.631 2.493 1.00 0.00 C ATOM 1052 C GLY A 58 10.214 -9.832 1.001 1.00 0.00 C ATOM 1053 O GLY A 58 10.898 -9.240 0.164 1.00 0.00 O ATOM 0 H GLY A 58 9.176 -10.128 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.114 -8.754 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.036 -10.487 2.876 1.00 0.00 H new ATOM 1057 N GLN A 59 9.226 -10.666 0.656 1.00 0.00 N ATOM 1058 CA GLN A 59 8.880 -10.919 -0.737 1.00 0.00 C ATOM 1059 C GLN A 59 8.396 -9.618 -1.378 1.00 0.00 C ATOM 1060 O GLN A 59 8.837 -9.279 -2.476 1.00 0.00 O ATOM 1061 CB GLN A 59 7.791 -12.001 -0.810 1.00 0.00 C ATOM 1062 CG GLN A 59 8.360 -13.425 -0.894 1.00 0.00 C ATOM 1063 CD GLN A 59 8.871 -13.743 -2.301 1.00 0.00 C ATOM 1064 OE1 GLN A 59 10.060 -13.955 -2.523 1.00 0.00 O ATOM 1065 NE2 GLN A 59 7.978 -13.781 -3.278 1.00 0.00 N ATOM 0 H GLN A 59 8.654 -11.176 1.329 1.00 0.00 H new ATOM 0 HA GLN A 59 9.755 -11.275 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.151 -11.923 0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.161 -11.816 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.173 -13.536 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.589 -14.143 -0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.994 -13.603 -3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.274 -13.989 -4.232 1.00 0.00 H new ATOM 1074 N PHE A 60 7.510 -8.884 -0.700 1.00 0.00 N ATOM 1075 CA PHE A 60 6.984 -7.617 -1.191 1.00 0.00 C ATOM 1076 C PHE A 60 8.134 -6.618 -1.361 1.00 0.00 C ATOM 1077 O PHE A 60 8.229 -5.975 -2.412 1.00 0.00 O ATOM 1078 CB PHE A 60 5.833 -7.163 -0.277 1.00 0.00 C ATOM 1079 CG PHE A 60 5.415 -5.710 -0.352 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.045 -5.138 -1.582 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.366 -4.930 0.820 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.670 -3.787 -1.641 1.00 0.00 C ATOM 1083 CE2 PHE A 60 4.973 -3.580 0.756 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.645 -3.002 -0.479 1.00 0.00 C ATOM 0 H PHE A 60 7.138 -9.157 0.210 1.00 0.00 H new ATOM 0 HA PHE A 60 6.544 -7.711 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.961 -7.776 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.116 -7.379 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.049 -5.738 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.631 -5.369 1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.398 -3.348 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.924 -2.989 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.375 -1.958 -0.535 1.00 0.00 H new ATOM 1094 N TYR A 61 9.077 -6.566 -0.412 1.00 0.00 N ATOM 1095 CA TYR A 61 10.213 -5.659 -0.490 1.00 0.00 C ATOM 1096 C TYR A 61 11.019 -5.934 -1.761 1.00 0.00 C ATOM 1097 O TYR A 61 11.468 -5.004 -2.438 1.00 0.00 O ATOM 1098 CB TYR A 61 11.163 -5.806 0.716 1.00 0.00 C ATOM 1099 CG TYR A 61 10.653 -5.553 2.125 1.00 0.00 C ATOM 1100 CD1 TYR A 61 9.478 -4.819 2.376 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.428 -6.010 3.211 1.00 0.00 C ATOM 1102 CE1 TYR A 61 9.094 -4.524 3.696 1.00 0.00 C ATOM 1103 CE2 TYR A 61 11.040 -5.732 4.534 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.876 -4.973 4.785 1.00 0.00 C ATOM 1105 OH TYR A 61 9.528 -4.686 6.068 1.00 0.00 O ATOM 0 H TYR A 61 9.068 -7.150 0.424 1.00 0.00 H new ATOM 0 HA TYR A 61 9.805 -4.648 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.560 -6.821 0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.003 -5.131 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.869 -4.481 1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.327 -6.578 3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.197 -3.951 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.633 -6.099 5.359 1.00 0.00 H new ATOM 0 HH TYR A 61 10.184 -5.079 6.681 1.00 0.00 H new ATOM 1115 N PHE A 62 11.268 -7.213 -2.063 1.00 0.00 N ATOM 1116 CA PHE A 62 12.009 -7.635 -3.243 1.00 0.00 C ATOM 1117 C PHE A 62 11.235 -7.267 -4.509 1.00 0.00 C ATOM 1118 O PHE A 62 11.830 -6.701 -5.425 1.00 0.00 O ATOM 1119 CB PHE A 62 12.325 -9.138 -3.189 1.00 0.00 C ATOM 1120 CG PHE A 62 13.620 -9.505 -2.477 1.00 0.00 C ATOM 1121 CD1 PHE A 62 13.895 -9.055 -1.169 1.00 0.00 C ATOM 1122 CD2 PHE A 62 14.563 -10.324 -3.129 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.080 -9.443 -0.519 1.00 0.00 C ATOM 1124 CE2 PHE A 62 15.738 -10.722 -2.473 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.993 -10.295 -1.160 1.00 0.00 C ATOM 0 H PHE A 62 10.953 -7.990 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 62 12.963 -7.108 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.500 -9.649 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.369 -9.520 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.192 -8.409 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.380 -10.648 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.289 -9.084 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.448 -11.359 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.886 -10.620 -0.647 1.00 0.00 H new ATOM 1135 N LEU A 63 9.929 -7.566 -4.562 1.00 0.00 N ATOM 1136 CA LEU A 63 9.052 -7.279 -5.701 1.00 0.00 C ATOM 1137 C LEU A 63 9.101 -5.790 -6.037 1.00 0.00 C ATOM 1138 O LEU A 63 9.239 -5.423 -7.208 1.00 0.00 O ATOM 1139 CB LEU A 63 7.598 -7.703 -5.401 1.00 0.00 C ATOM 1140 CG LEU A 63 7.344 -9.223 -5.446 1.00 0.00 C ATOM 1141 CD1 LEU A 63 6.002 -9.562 -4.788 1.00 0.00 C ATOM 1142 CD2 LEU A 63 7.320 -9.754 -6.881 1.00 0.00 C ATOM 0 H LEU A 63 9.443 -8.026 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 63 9.407 -7.854 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.323 -7.332 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.937 -7.217 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 63 8.164 -9.695 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.839 -10.639 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.014 -9.236 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.198 -9.053 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.138 -10.829 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.526 -9.258 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.279 -9.554 -7.359 1.00 0.00 H new ATOM 1154 N ILE A 64 9.004 -4.913 -5.036 1.00 0.00 N ATOM 1155 CA ILE A 64 9.059 -3.478 -5.280 1.00 0.00 C ATOM 1156 C ILE A 64 10.458 -3.100 -5.769 1.00 0.00 C ATOM 1157 O ILE A 64 10.539 -2.419 -6.788 1.00 0.00 O ATOM 1158 CB ILE A 64 8.595 -2.681 -4.044 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.075 -2.837 -3.809 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.946 -1.188 -4.163 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.162 -2.118 -4.817 1.00 0.00 C ATOM 0 H ILE A 64 8.888 -5.173 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 64 8.358 -3.209 -6.070 1.00 0.00 H new ATOM 0 HB ILE A 64 9.129 -3.096 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.832 -3.900 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.842 -2.469 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.602 -0.661 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.026 -1.075 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.459 -0.769 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.119 -2.296 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.364 -1.047 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.355 -2.500 -5.819 1.00 0.00 H new ATOM 1173 N ARG A 65 11.544 -3.562 -5.125 1.00 0.00 N ATOM 1174 CA ARG A 65 12.911 -3.219 -5.542 1.00 0.00 C ATOM 1175 C ARG A 65 13.124 -3.458 -7.033 1.00 0.00 C ATOM 1176 O ARG A 65 13.553 -2.544 -7.737 1.00 0.00 O ATOM 1177 CB ARG A 65 13.944 -4.035 -4.740 1.00 0.00 C ATOM 1178 CG ARG A 65 15.388 -3.552 -4.983 1.00 0.00 C ATOM 1179 CD ARG A 65 16.442 -4.590 -4.592 1.00 0.00 C ATOM 1180 NE ARG A 65 16.406 -4.917 -3.156 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.465 -5.121 -2.364 1.00 0.00 C ATOM 1182 NH1 ARG A 65 18.697 -5.007 -2.842 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.268 -5.437 -1.089 1.00 0.00 N ATOM 0 H ARG A 65 11.499 -4.176 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 65 13.050 -2.157 -5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.714 -3.964 -3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.864 -5.087 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.508 -3.300 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.559 -2.637 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.285 -5.499 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.432 -4.214 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 65 15.485 -4.995 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.843 -4.762 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.498 -5.164 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.319 -5.521 -0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.066 -5.595 -0.474 1.00 0.00 H new ATOM 1197 N LYS A 66 12.797 -4.655 -7.529 1.00 0.00 N ATOM 1198 CA LYS A 66 12.985 -4.952 -8.944 1.00 0.00 C ATOM 1199 C LYS A 66 12.051 -4.126 -9.822 1.00 0.00 C ATOM 1200 O LYS A 66 12.465 -3.680 -10.890 1.00 0.00 O ATOM 1201 CB LYS A 66 12.885 -6.463 -9.220 1.00 0.00 C ATOM 1202 CG LYS A 66 11.519 -7.080 -8.887 1.00 0.00 C ATOM 1203 CD LYS A 66 11.434 -8.586 -9.155 1.00 0.00 C ATOM 1204 CE LYS A 66 11.935 -9.498 -8.026 1.00 0.00 C ATOM 1205 NZ LYS A 66 13.396 -9.716 -8.035 1.00 0.00 N ATOM 0 H LYS A 66 12.407 -5.420 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 66 13.998 -4.655 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.104 -6.643 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.653 -6.977 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.295 -6.895 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.751 -6.573 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.395 -8.840 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.006 -8.808 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.648 -9.064 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.433 -10.463 -8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.626 -10.554 -7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.719 -9.865 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.874 -8.883 -7.636 1.00 0.00 H new ATOM 1219 N ARG A 67 10.806 -3.883 -9.398 1.00 0.00 N ATOM 1220 CA ARG A 67 9.860 -3.106 -10.191 1.00 0.00 C ATOM 1221 C ARG A 67 10.302 -1.646 -10.331 1.00 0.00 C ATOM 1222 O ARG A 67 10.106 -1.073 -11.398 1.00 0.00 O ATOM 1223 CB ARG A 67 8.452 -3.268 -9.592 1.00 0.00 C ATOM 1224 CG ARG A 67 7.307 -2.675 -10.426 1.00 0.00 C ATOM 1225 CD ARG A 67 6.917 -3.454 -11.696 1.00 0.00 C ATOM 1226 NE ARG A 67 7.850 -3.243 -12.816 1.00 0.00 N ATOM 1227 CZ ARG A 67 8.050 -2.089 -13.468 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.237 -1.046 -13.319 1.00 0.00 N ATOM 1229 NH2 ARG A 67 9.081 -1.987 -14.294 1.00 0.00 N ATOM 0 H ARG A 67 10.434 -4.216 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 67 9.833 -3.488 -11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.259 -4.331 -9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.439 -2.802 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.426 -2.594 -9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.584 -1.662 -10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.874 -4.518 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.915 -3.155 -12.005 1.00 0.00 H new ATOM 0 HE ARG A 67 8.394 -4.049 -13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.434 -1.111 -12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.417 -0.182 -13.830 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.709 -2.780 -14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.247 -1.116 -14.798 1.00 0.00 H new ATOM 1243 N ILE A 68 10.900 -1.037 -9.302 1.00 0.00 N ATOM 1244 CA ILE A 68 11.346 0.358 -9.366 1.00 0.00 C ATOM 1245 C ILE A 68 12.789 0.503 -9.888 1.00 0.00 C ATOM 1246 O ILE A 68 13.239 1.629 -10.088 1.00 0.00 O ATOM 1247 CB ILE A 68 11.051 1.118 -8.050 1.00 0.00 C ATOM 1248 CG1 ILE A 68 11.991 0.721 -6.897 1.00 0.00 C ATOM 1249 CG2 ILE A 68 9.562 0.970 -7.676 1.00 0.00 C ATOM 1250 CD1 ILE A 68 11.729 1.479 -5.590 1.00 0.00 C ATOM 0 H ILE A 68 11.087 -1.493 -8.409 1.00 0.00 H new ATOM 0 HA ILE A 68 10.743 0.859 -10.124 1.00 0.00 H new ATOM 0 HB ILE A 68 11.256 2.174 -8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.890 -0.348 -6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.022 0.895 -7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.365 1.508 -6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.944 1.382 -8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.324 -0.085 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.432 1.143 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 68 11.859 2.548 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 68 10.710 1.285 -5.255 1.00 0.00 H new ATOM 1262 N HIS A 69 13.484 -0.609 -10.167 1.00 0.00 N ATOM 1263 CA HIS A 69 14.850 -0.708 -10.687 1.00 0.00 C ATOM 1264 C HIS A 69 15.876 0.136 -9.921 1.00 0.00 C ATOM 1265 O HIS A 69 16.068 1.315 -10.218 1.00 0.00 O ATOM 1266 CB HIS A 69 14.879 -0.369 -12.185 1.00 0.00 C ATOM 1267 CG HIS A 69 13.861 -1.099 -13.014 1.00 0.00 C ATOM 1268 ND1 HIS A 69 14.068 -2.265 -13.710 1.00 0.00 N ATOM 1269 CD2 HIS A 69 12.580 -0.681 -13.248 1.00 0.00 C ATOM 1270 CE1 HIS A 69 12.933 -2.538 -14.368 1.00 0.00 C ATOM 1271 NE2 HIS A 69 11.994 -1.608 -14.120 1.00 0.00 N ATOM 0 H HIS A 69 13.072 -1.531 -10.023 1.00 0.00 H new ATOM 0 HA HIS A 69 15.152 -1.745 -10.538 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.723 0.703 -12.304 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.872 -0.592 -12.575 1.00 0.00 H new ATOM 0 HD1 HIS A 69 14.924 -2.819 -13.723 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.108 0.199 -12.837 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.791 -3.393 -15.013 1.00 0.00 H new ATOM 1279 N LEU A 70 16.554 -0.463 -8.945 1.00 0.00 N ATOM 1280 CA LEU A 70 17.568 0.210 -8.133 1.00 0.00 C ATOM 1281 C LEU A 70 18.925 -0.461 -8.300 1.00 0.00 C ATOM 1282 O LEU A 70 19.008 -1.618 -8.728 1.00 0.00 O ATOM 1283 CB LEU A 70 17.188 0.220 -6.651 1.00 0.00 C ATOM 1284 CG LEU A 70 15.829 0.848 -6.321 1.00 0.00 C ATOM 1285 CD1 LEU A 70 15.567 0.676 -4.827 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.759 2.338 -6.685 1.00 0.00 C ATOM 0 H LEU A 70 16.414 -1.441 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 70 17.626 1.241 -8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.192 -0.807 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 70 17.960 0.757 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 70 15.071 0.340 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.603 1.117 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.556 -0.385 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.354 1.173 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.774 2.729 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.522 2.884 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.931 2.460 -7.754 1.00 0.00 H new ATOM 1298 N ARG A 71 19.983 0.307 -8.039 1.00 0.00 N ATOM 1299 CA ARG A 71 21.373 -0.145 -8.117 1.00 0.00 C ATOM 1300 C ARG A 71 21.609 -1.137 -6.975 1.00 0.00 C ATOM 1301 O ARG A 71 20.847 -1.153 -6.005 1.00 0.00 O ATOM 1302 CB ARG A 71 22.343 1.046 -7.970 1.00 0.00 C ATOM 1303 CG ARG A 71 22.579 1.887 -9.229 1.00 0.00 C ATOM 1304 CD ARG A 71 21.409 2.805 -9.588 1.00 0.00 C ATOM 1305 NE ARG A 71 21.773 3.701 -10.699 1.00 0.00 N ATOM 1306 CZ ARG A 71 22.370 4.893 -10.605 1.00 0.00 C ATOM 1307 NH1 ARG A 71 22.678 5.398 -9.419 1.00 0.00 N ATOM 1308 NH2 ARG A 71 22.643 5.598 -11.694 1.00 0.00 N ATOM 0 H ARG A 71 19.895 1.284 -7.761 1.00 0.00 H new ATOM 0 HA ARG A 71 21.554 -0.613 -9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.964 1.702 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.305 0.664 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 71 23.474 2.493 -9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 71 22.776 1.220 -10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.542 2.206 -9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.122 3.395 -8.717 1.00 0.00 H new ATOM 0 HE ARG A 71 21.545 3.378 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.459 4.876 -8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.134 6.308 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.397 5.232 -12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 71 23.099 6.507 -11.612 1.00 0.00 H new ATOM 1322 N PRO A 72 22.696 -1.917 -7.011 1.00 0.00 N ATOM 1323 CA PRO A 72 22.982 -2.879 -5.955 1.00 0.00 C ATOM 1324 C PRO A 72 23.336 -2.197 -4.632 1.00 0.00 C ATOM 1325 O PRO A 72 23.080 -2.757 -3.570 1.00 0.00 O ATOM 1326 CB PRO A 72 24.117 -3.751 -6.488 1.00 0.00 C ATOM 1327 CG PRO A 72 24.754 -2.932 -7.608 1.00 0.00 C ATOM 1328 CD PRO A 72 23.666 -1.987 -8.088 1.00 0.00 C ATOM 0 HA PRO A 72 22.105 -3.482 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.841 -3.978 -5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.741 -4.704 -6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.622 -2.380 -7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.100 -3.575 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.075 -1.001 -8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.206 -2.355 -9.005 1.00 0.00 H new ATOM 1336 N GLU A 73 23.885 -0.985 -4.683 1.00 0.00 N ATOM 1337 CA GLU A 73 24.274 -0.226 -3.501 1.00 0.00 C ATOM 1338 C GLU A 73 23.077 0.491 -2.857 1.00 0.00 C ATOM 1339 O GLU A 73 23.155 0.909 -1.703 1.00 0.00 O ATOM 1340 CB GLU A 73 25.326 0.825 -3.912 1.00 0.00 C ATOM 1341 CG GLU A 73 26.470 0.311 -4.808 1.00 0.00 C ATOM 1342 CD GLU A 73 27.154 -0.976 -4.331 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.322 -1.182 -3.107 1.00 0.00 O ATOM 1344 OE2 GLU A 73 27.540 -1.789 -5.205 1.00 0.00 O ATOM 0 H GLU A 73 24.074 -0.498 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 73 24.679 -0.924 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.818 1.636 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.761 1.250 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.076 0.142 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.224 1.094 -4.890 1.00 0.00 H new ATOM 1351 N ASP A 74 21.963 0.637 -3.576 1.00 0.00 N ATOM 1352 CA ASP A 74 20.764 1.334 -3.110 1.00 0.00 C ATOM 1353 C ASP A 74 20.030 0.584 -2.017 1.00 0.00 C ATOM 1354 O ASP A 74 19.693 -0.597 -2.183 1.00 0.00 O ATOM 1355 CB ASP A 74 19.780 1.565 -4.261 1.00 0.00 C ATOM 1356 CG ASP A 74 20.275 2.555 -5.307 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.256 3.291 -5.036 1.00 0.00 O ATOM 1358 OD2 ASP A 74 19.715 2.597 -6.425 1.00 0.00 O ATOM 0 H ASP A 74 21.868 0.265 -4.521 1.00 0.00 H new ATOM 0 HA ASP A 74 21.119 2.282 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.574 0.611 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.836 1.925 -3.852 1.00 0.00 H new ATOM 1363 N ALA A 75 19.808 1.262 -0.891 1.00 0.00 N ATOM 1364 CA ALA A 75 19.080 0.696 0.229 1.00 0.00 C ATOM 1365 C ALA A 75 17.584 0.776 -0.077 1.00 0.00 C ATOM 1366 O ALA A 75 17.165 1.414 -1.046 1.00 0.00 O ATOM 1367 CB ALA A 75 19.387 1.465 1.503 1.00 0.00 C ATOM 0 H ALA A 75 20.130 2.217 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 75 19.380 -0.342 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 75 18.833 1.028 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 75 20.456 1.412 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.093 2.507 1.379 1.00 0.00 H new ATOM 1373 N LEU A 76 16.760 0.123 0.736 1.00 0.00 N ATOM 1374 CA LEU A 76 15.322 0.145 0.543 1.00 0.00 C ATOM 1375 C LEU A 76 14.652 -0.277 1.839 1.00 0.00 C ATOM 1376 O LEU A 76 14.914 -1.383 2.312 1.00 0.00 O ATOM 1377 CB LEU A 76 14.954 -0.818 -0.608 1.00 0.00 C ATOM 1378 CG LEU A 76 13.550 -0.548 -1.159 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.462 0.855 -1.781 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.198 -1.592 -2.221 1.00 0.00 C ATOM 0 H LEU A 76 17.069 -0.429 1.536 1.00 0.00 H new ATOM 0 HA LEU A 76 14.981 1.146 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.684 -0.718 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.012 -1.847 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 76 12.845 -0.609 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.455 1.021 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.689 1.604 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.179 0.936 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.199 -1.394 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.920 -1.540 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.224 -2.587 -1.776 1.00 0.00 H new ATOM 1392 N PHE A 77 13.776 0.568 2.384 1.00 0.00 N ATOM 1393 CA PHE A 77 13.054 0.297 3.622 1.00 0.00 C ATOM 1394 C PHE A 77 11.618 0.789 3.489 1.00 0.00 C ATOM 1395 O PHE A 77 11.347 1.718 2.717 1.00 0.00 O ATOM 1396 CB PHE A 77 13.748 0.939 4.823 1.00 0.00 C ATOM 1397 CG PHE A 77 15.217 0.596 4.991 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.597 -0.525 5.751 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.212 1.402 4.403 1.00 0.00 C ATOM 1400 CE1 PHE A 77 16.957 -0.826 5.932 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.570 1.126 4.621 1.00 0.00 C ATOM 1402 CZ PHE A 77 17.946 0.006 5.380 1.00 0.00 C ATOM 0 H PHE A 77 13.547 1.472 1.970 1.00 0.00 H new ATOM 0 HA PHE A 77 13.046 -0.779 3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.653 2.022 4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.218 0.642 5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.842 -1.155 6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.927 2.237 3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.244 -1.700 6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.326 1.775 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.991 -0.215 5.539 1.00 0.00 H new ATOM 1412 N PHE A 78 10.694 0.139 4.199 1.00 0.00 N ATOM 1413 CA PHE A 78 9.272 0.460 4.194 1.00 0.00 C ATOM 1414 C PHE A 78 8.779 0.640 5.622 1.00 0.00 C ATOM 1415 O PHE A 78 9.314 0.020 6.542 1.00 0.00 O ATOM 1416 CB PHE A 78 8.471 -0.656 3.510 1.00 0.00 C ATOM 1417 CG PHE A 78 8.844 -0.908 2.064 1.00 0.00 C ATOM 1418 CD1 PHE A 78 9.960 -1.706 1.755 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.086 -0.336 1.026 1.00 0.00 C ATOM 1420 CE1 PHE A 78 10.330 -1.926 0.420 1.00 0.00 C ATOM 1421 CE2 PHE A 78 8.452 -0.556 -0.313 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.581 -1.342 -0.614 1.00 0.00 C ATOM 0 H PHE A 78 10.924 -0.646 4.809 1.00 0.00 H new ATOM 0 HA PHE A 78 9.127 1.387 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.608 -1.580 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.411 -0.406 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.536 -2.153 2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.224 0.272 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.187 -2.542 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.867 -0.122 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 78 9.871 -1.496 -1.643 1.00 0.00 H new ATOM 1432 N PHE A 79 7.717 1.421 5.798 1.00 0.00 N ATOM 1433 CA PHE A 79 7.122 1.713 7.098 1.00 0.00 C ATOM 1434 C PHE A 79 5.612 1.542 6.997 1.00 0.00 C ATOM 1435 O PHE A 79 5.059 1.598 5.897 1.00 0.00 O ATOM 1436 CB PHE A 79 7.525 3.136 7.524 1.00 0.00 C ATOM 1437 CG PHE A 79 9.001 3.416 7.293 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.952 2.883 8.177 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.432 4.073 6.123 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.326 2.987 7.894 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.805 4.176 5.838 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.754 3.632 6.721 1.00 0.00 C ATOM 0 H PHE A 79 7.236 1.878 5.024 1.00 0.00 H new ATOM 0 HA PHE A 79 7.484 1.025 7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.930 3.861 6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.293 3.275 8.580 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.627 2.390 9.081 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.707 4.498 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.051 2.571 8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.132 4.675 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.808 3.709 6.499 1.00 0.00 H new ATOM 1452 N VAL A 80 4.943 1.268 8.110 1.00 0.00 N ATOM 1453 CA VAL A 80 3.495 1.081 8.246 1.00 0.00 C ATOM 1454 C VAL A 80 3.199 1.711 9.602 1.00 0.00 C ATOM 1455 O VAL A 80 3.933 1.394 10.535 1.00 0.00 O ATOM 1456 CB VAL A 80 3.114 -0.415 8.138 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.037 -1.381 8.905 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.670 -0.653 8.585 1.00 0.00 C ATOM 0 H VAL A 80 5.425 1.163 9.003 1.00 0.00 H new ATOM 0 HA VAL A 80 2.901 1.543 7.457 1.00 0.00 H new ATOM 0 HB VAL A 80 3.235 -0.642 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.688 -2.404 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.055 -1.291 8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.023 -1.132 9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.432 -1.713 8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.554 -0.339 9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.994 -0.076 7.954 1.00 0.00 H new ATOM 1468 N ASN A 81 2.209 2.607 9.737 1.00 0.00 N ATOM 1469 CA ASN A 81 1.892 3.291 11.004 1.00 0.00 C ATOM 1470 C ASN A 81 3.174 3.818 11.675 1.00 0.00 C ATOM 1471 O ASN A 81 3.374 3.754 12.890 1.00 0.00 O ATOM 1472 CB ASN A 81 0.993 2.423 11.894 1.00 0.00 C ATOM 1473 CG ASN A 81 0.443 3.163 13.113 1.00 0.00 C ATOM 1474 OD1 ASN A 81 0.570 4.377 13.278 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -0.233 2.439 13.986 1.00 0.00 N ATOM 0 H ASN A 81 1.601 2.880 8.965 1.00 0.00 H new ATOM 0 HA ASN A 81 1.295 4.180 10.802 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.159 2.049 11.300 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.559 1.555 12.231 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.653 2.885 14.802 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.335 1.434 13.845 1.00 0.00 H new ATOM 1482 N ASN A 82 4.079 4.329 10.831 1.00 0.00 N ATOM 1483 CA ASN A 82 5.382 4.898 11.157 1.00 0.00 C ATOM 1484 C ASN A 82 6.285 3.944 11.973 1.00 0.00 C ATOM 1485 O ASN A 82 7.253 4.381 12.595 1.00 0.00 O ATOM 1486 CB ASN A 82 5.202 6.304 11.769 1.00 0.00 C ATOM 1487 CG ASN A 82 4.071 7.128 11.135 1.00 0.00 C ATOM 1488 OD1 ASN A 82 4.175 7.613 10.012 1.00 0.00 O ATOM 1489 ND2 ASN A 82 2.941 7.270 11.809 1.00 0.00 N ATOM 0 H ASN A 82 3.901 4.355 9.827 1.00 0.00 H new ATOM 0 HA ASN A 82 5.944 5.025 10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.007 6.201 12.836 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.138 6.854 11.668 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.161 7.781 11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.850 6.869 12.742 1.00 0.00 H new ATOM 1496 N THR A 83 6.005 2.639 11.946 1.00 0.00 N ATOM 1497 CA THR A 83 6.671 1.531 12.627 1.00 0.00 C ATOM 1498 C THR A 83 7.482 0.668 11.645 1.00 0.00 C ATOM 1499 O THR A 83 7.167 0.602 10.451 1.00 0.00 O ATOM 1500 CB THR A 83 5.554 0.711 13.313 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.983 1.480 14.356 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.980 -0.649 13.876 1.00 0.00 C ATOM 0 H THR A 83 5.223 2.299 11.387 1.00 0.00 H new ATOM 0 HA THR A 83 7.391 1.899 13.358 1.00 0.00 H new ATOM 0 HB THR A 83 4.838 0.488 12.522 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.463 2.216 13.972 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.121 -1.138 14.334 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.365 -1.272 13.069 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.758 -0.505 14.626 1.00 0.00 H new ATOM 1510 N ILE A 84 8.522 0.001 12.169 1.00 0.00 N ATOM 1511 CA ILE A 84 9.435 -0.904 11.476 1.00 0.00 C ATOM 1512 C ILE A 84 9.126 -2.328 11.996 1.00 0.00 C ATOM 1513 O ILE A 84 9.609 -2.704 13.070 1.00 0.00 O ATOM 1514 CB ILE A 84 10.910 -0.489 11.709 1.00 0.00 C ATOM 1515 CG1 ILE A 84 11.121 0.985 11.305 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.829 -1.415 10.890 1.00 0.00 C ATOM 1517 CD1 ILE A 84 12.559 1.497 11.433 1.00 0.00 C ATOM 0 H ILE A 84 8.758 0.090 13.157 1.00 0.00 H new ATOM 0 HA ILE A 84 9.292 -0.867 10.396 1.00 0.00 H new ATOM 0 HB ILE A 84 11.155 -0.586 12.767 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.798 1.112 10.272 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.474 1.610 11.920 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.869 -1.129 11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.684 -2.447 11.209 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.586 -1.325 9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.602 2.542 11.126 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.885 1.410 12.469 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.214 0.904 10.795 1.00 0.00 H new ATOM 1529 N PRO A 85 8.304 -3.127 11.294 1.00 0.00 N ATOM 1530 CA PRO A 85 7.942 -4.487 11.706 1.00 0.00 C ATOM 1531 C PRO A 85 9.011 -5.546 11.344 1.00 0.00 C ATOM 1532 O PRO A 85 9.911 -5.257 10.545 1.00 0.00 O ATOM 1533 CB PRO A 85 6.641 -4.741 10.946 1.00 0.00 C ATOM 1534 CG PRO A 85 6.849 -4.001 9.628 1.00 0.00 C ATOM 1535 CD PRO A 85 7.668 -2.783 10.030 1.00 0.00 C ATOM 0 HA PRO A 85 7.850 -4.569 12.789 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.471 -5.806 10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.777 -4.358 11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.377 -4.617 8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.900 -3.715 9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 85 8.413 -2.545 9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.033 -1.904 10.139 1.00 0.00 H new ATOM 1543 N PRO A 86 8.917 -6.787 11.872 1.00 0.00 N ATOM 1544 CA PRO A 86 9.871 -7.861 11.580 1.00 0.00 C ATOM 1545 C PRO A 86 9.793 -8.327 10.121 1.00 0.00 C ATOM 1546 O PRO A 86 8.722 -8.334 9.511 1.00 0.00 O ATOM 1547 CB PRO A 86 9.527 -9.013 12.530 1.00 0.00 C ATOM 1548 CG PRO A 86 8.094 -8.746 12.980 1.00 0.00 C ATOM 1549 CD PRO A 86 7.918 -7.236 12.836 1.00 0.00 C ATOM 0 HA PRO A 86 10.891 -7.505 11.726 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.609 -9.976 12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.208 -9.039 13.380 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.378 -9.289 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.936 -9.067 14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.912 -6.995 12.492 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.055 -6.737 13.796 1.00 0.00 H new ATOM 1557 N THR A 87 10.920 -8.795 9.582 1.00 0.00 N ATOM 1558 CA THR A 87 11.066 -9.276 8.209 1.00 0.00 C ATOM 1559 C THR A 87 10.277 -10.549 7.904 1.00 0.00 C ATOM 1560 O THR A 87 9.996 -10.793 6.726 1.00 0.00 O ATOM 1561 CB THR A 87 12.565 -9.423 7.892 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.226 -10.080 8.954 1.00 0.00 O ATOM 1563 CG2 THR A 87 13.207 -8.045 7.724 1.00 0.00 C ATOM 0 H THR A 87 11.790 -8.851 10.112 1.00 0.00 H new ATOM 0 HA THR A 87 10.622 -8.532 7.547 1.00 0.00 H new ATOM 0 HB THR A 87 12.659 -10.000 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.178 -10.170 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.267 -8.162 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.720 -7.514 6.906 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.092 -7.475 8.646 1.00 0.00 H new ATOM 1571 N SER A 88 9.884 -11.336 8.907 1.00 0.00 N ATOM 1572 CA SER A 88 9.094 -12.544 8.688 1.00 0.00 C ATOM 1573 C SER A 88 7.590 -12.251 8.781 1.00 0.00 C ATOM 1574 O SER A 88 6.781 -13.169 8.614 1.00 0.00 O ATOM 1575 CB SER A 88 9.523 -13.641 9.653 1.00 0.00 C ATOM 1576 OG SER A 88 10.836 -14.057 9.327 1.00 0.00 O ATOM 0 H SER A 88 10.103 -11.154 9.886 1.00 0.00 H new ATOM 0 HA SER A 88 9.282 -12.901 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.489 -13.274 10.679 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.835 -14.485 9.593 1.00 0.00 H new ATOM 0 HG SER A 88 11.119 -14.762 9.946 1.00 0.00 H new ATOM 1582 N ALA A 89 7.186 -11.005 9.079 1.00 0.00 N ATOM 1583 CA ALA A 89 5.771 -10.666 9.145 1.00 0.00 C ATOM 1584 C ALA A 89 5.162 -10.868 7.750 1.00 0.00 C ATOM 1585 O ALA A 89 5.872 -10.893 6.740 1.00 0.00 O ATOM 1586 CB ALA A 89 5.582 -9.218 9.608 1.00 0.00 C ATOM 0 H ALA A 89 7.818 -10.229 9.275 1.00 0.00 H new ATOM 0 HA ALA A 89 5.270 -11.310 9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.518 -8.985 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.021 -9.092 10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.073 -8.544 8.906 1.00 0.00 H new ATOM 1592 N THR A 90 3.844 -10.976 7.688 1.00 0.00 N ATOM 1593 CA THR A 90 3.089 -11.165 6.461 1.00 0.00 C ATOM 1594 C THR A 90 2.046 -10.052 6.371 1.00 0.00 C ATOM 1595 O THR A 90 1.719 -9.405 7.374 1.00 0.00 O ATOM 1596 CB THR A 90 2.471 -12.585 6.442 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.964 -12.952 7.713 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.489 -13.665 6.058 1.00 0.00 C ATOM 0 H THR A 90 3.252 -10.933 8.518 1.00 0.00 H new ATOM 0 HA THR A 90 3.729 -11.099 5.581 1.00 0.00 H new ATOM 0 HB THR A 90 1.675 -12.532 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.580 -13.852 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.003 -14.641 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.882 -13.458 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.308 -13.666 6.778 1.00 0.00 H new ATOM 1606 N MET A 91 1.488 -9.858 5.177 1.00 0.00 N ATOM 1607 CA MET A 91 0.464 -8.848 4.922 1.00 0.00 C ATOM 1608 C MET A 91 -0.735 -9.044 5.859 1.00 0.00 C ATOM 1609 O MET A 91 -1.352 -8.059 6.257 1.00 0.00 O ATOM 1610 CB MET A 91 0.052 -8.873 3.440 1.00 0.00 C ATOM 1611 CG MET A 91 1.042 -8.105 2.560 1.00 0.00 C ATOM 1612 SD MET A 91 1.230 -6.312 2.840 1.00 0.00 S ATOM 1613 CE MET A 91 -0.463 -5.804 3.229 1.00 0.00 C ATOM 0 H MET A 91 1.737 -10.403 4.352 1.00 0.00 H new ATOM 0 HA MET A 91 0.876 -7.861 5.132 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.012 -9.906 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.942 -8.439 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.022 -8.566 2.681 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.747 -8.251 1.521 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.477 -4.742 3.473 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.105 -5.987 2.367 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.828 -6.377 4.082 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.042 -10.286 6.245 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.131 -10.608 7.150 1.00 0.00 C ATOM 1625 C GLY A 92 -1.798 -10.153 8.568 1.00 0.00 C ATOM 1626 O GLY A 92 -2.666 -9.606 9.238 1.00 0.00 O ATOM 0 H GLY A 92 -0.526 -11.106 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.048 -10.125 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.315 -11.682 7.140 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.549 -10.341 9.026 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.135 -9.952 10.368 1.00 0.00 C ATOM 1632 C GLN A 93 -0.336 -8.452 10.564 1.00 0.00 C ATOM 1633 O GLN A 93 -0.973 -8.049 11.532 1.00 0.00 O ATOM 1634 CB GLN A 93 1.343 -10.332 10.595 1.00 0.00 C ATOM 1635 CG GLN A 93 1.878 -10.008 12.005 1.00 0.00 C ATOM 1636 CD GLN A 93 1.311 -10.930 13.081 1.00 0.00 C ATOM 1637 OE1 GLN A 93 1.270 -12.146 12.904 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.874 -10.403 14.211 1.00 0.00 N ATOM 0 H GLN A 93 0.194 -10.766 8.472 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.747 -10.483 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.463 -11.400 10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.956 -9.811 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.965 -10.086 12.003 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.633 -8.975 12.253 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.911 -9.393 14.351 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.499 -11.006 14.944 1.00 0.00 H new ATOM 1647 N LEU A 94 0.182 -7.624 9.653 1.00 0.00 N ATOM 1648 CA LEU A 94 0.061 -6.173 9.763 1.00 0.00 C ATOM 1649 C LEU A 94 -1.371 -5.707 9.533 1.00 0.00 C ATOM 1650 O LEU A 94 -1.809 -4.782 10.214 1.00 0.00 O ATOM 1651 CB LEU A 94 1.085 -5.452 8.868 1.00 0.00 C ATOM 1652 CG LEU A 94 0.845 -5.586 7.353 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.029 -4.420 6.792 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.165 -5.611 6.592 1.00 0.00 C ATOM 0 H LEU A 94 0.692 -7.939 8.827 1.00 0.00 H new ATOM 0 HA LEU A 94 0.305 -5.894 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.087 -4.393 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.078 -5.838 9.097 1.00 0.00 H new ATOM 0 HG LEU A 94 0.297 -6.519 7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.114 -4.559 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.942 -4.384 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.561 -3.485 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.968 -5.706 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.710 -4.686 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.762 -6.459 6.928 1.00 0.00 H new ATOM 1666 N TYR A 95 -2.108 -6.310 8.602 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.490 -5.923 8.337 1.00 0.00 C ATOM 1668 C TYR A 95 -4.325 -6.164 9.592 1.00 0.00 C ATOM 1669 O TYR A 95 -5.184 -5.350 9.922 1.00 0.00 O ATOM 1670 CB TYR A 95 -4.008 -6.694 7.118 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.492 -6.635 6.788 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -6.278 -5.494 7.052 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.080 -7.733 6.132 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.638 -5.462 6.684 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.428 -7.698 5.735 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.218 -6.558 6.009 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.519 -6.492 5.613 1.00 0.00 O ATOM 0 H TYR A 95 -1.768 -7.073 8.016 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.561 -4.862 8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.462 -6.336 6.245 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.742 -7.742 7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.834 -4.639 7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.488 -8.614 5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.239 -4.596 6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.861 -8.543 5.220 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.766 -7.326 5.161 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.126 -7.292 10.266 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.827 -7.637 11.491 1.00 0.00 C ATOM 1689 C GLU A 96 -4.379 -6.751 12.667 1.00 0.00 C ATOM 1690 O GLU A 96 -5.178 -6.431 13.541 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.580 -9.124 11.769 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.612 -9.733 12.717 1.00 0.00 C ATOM 1693 CD GLU A 96 -6.964 -9.868 12.022 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -7.096 -10.690 11.085 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -7.918 -9.145 12.372 1.00 0.00 O ATOM 0 H GLU A 96 -3.459 -8.004 9.968 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.896 -7.457 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.593 -9.671 10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.585 -9.248 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.271 -10.712 13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.713 -9.107 13.604 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.104 -6.357 12.712 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.524 -5.535 13.781 1.00 0.00 C ATOM 1704 C ASP A 97 -2.921 -4.062 13.708 1.00 0.00 C ATOM 1705 O ASP A 97 -3.178 -3.434 14.733 1.00 0.00 O ATOM 1706 CB ASP A 97 -0.996 -5.640 13.692 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.286 -4.949 14.853 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -0.057 -5.641 15.868 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.162 -3.787 14.694 1.00 0.00 O ATOM 0 H ASP A 97 -2.429 -6.606 11.989 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.910 -5.916 14.726 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.709 -6.691 13.671 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.660 -5.199 12.753 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.990 -3.508 12.500 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.319 -2.109 12.208 1.00 0.00 C ATOM 1716 C ASN A 98 -4.773 -1.895 11.766 1.00 0.00 C ATOM 1717 O ASN A 98 -5.118 -0.777 11.375 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.319 -1.529 11.187 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.868 -1.535 11.658 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.039 -1.973 10.955 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.574 -1.041 12.850 1.00 0.00 N ATOM 0 H ASN A 98 -2.809 -4.047 11.653 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.226 -1.561 13.146 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.391 -2.100 10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.609 -0.505 10.953 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.394 -1.028 13.172 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.315 -0.673 13.447 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.580 -2.961 11.735 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.981 -2.982 11.323 1.00 0.00 C ATOM 1730 C HIS A 99 -7.808 -1.756 11.743 1.00 0.00 C ATOM 1731 O HIS A 99 -7.883 -1.395 12.919 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.654 -4.304 11.745 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.051 -4.504 13.188 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -9.048 -5.360 13.593 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -7.475 -3.982 14.316 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -9.100 -5.337 14.930 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -8.162 -4.508 15.421 1.00 0.00 N ATOM 0 H HIS A 99 -5.250 -3.885 12.014 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.961 -2.923 10.235 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.552 -4.422 11.139 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.978 -5.116 11.476 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.645 -3.292 14.349 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.797 -5.904 15.530 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.985 -4.302 16.404 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.452 -1.117 10.767 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.294 0.053 10.958 1.00 0.00 C ATOM 1747 C GLU A 100 -10.702 -0.197 10.379 1.00 0.00 C ATOM 1748 O GLU A 100 -10.969 -1.275 9.836 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.545 1.300 10.455 1.00 0.00 C ATOM 1750 CG GLU A 100 -9.031 2.557 11.185 1.00 0.00 C ATOM 1751 CD GLU A 100 -8.044 3.722 11.106 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -7.776 4.275 10.019 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.562 4.143 12.179 1.00 0.00 O ATOM 0 H GLU A 100 -8.397 -1.412 9.792 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.488 0.251 12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.474 1.174 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.699 1.414 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.985 2.869 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.212 2.314 12.232 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.638 0.747 10.530 1.00 0.00 N ATOM 1761 CA GLU A 101 -13.017 0.626 10.043 1.00 0.00 C ATOM 1762 C GLU A 101 -13.136 0.810 8.535 1.00 0.00 C ATOM 1763 O GLU A 101 -14.093 0.348 7.927 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.900 1.692 10.708 1.00 0.00 C ATOM 1765 CG GLU A 101 -14.256 1.364 12.158 1.00 0.00 C ATOM 1766 CD GLU A 101 -14.998 0.034 12.242 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -16.139 -0.054 11.742 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -14.407 -0.938 12.776 1.00 0.00 O ATOM 0 H GLU A 101 -11.455 1.632 11.003 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.340 -0.384 10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.385 2.652 10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.819 1.804 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.348 1.318 12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.875 2.159 12.575 1.00 0.00 H new ATOM 1775 N ASP A 102 -12.203 1.529 7.930 1.00 0.00 N ATOM 1776 CA ASP A 102 -12.132 1.807 6.493 1.00 0.00 C ATOM 1777 C ASP A 102 -11.572 0.617 5.720 1.00 0.00 C ATOM 1778 O ASP A 102 -11.761 0.556 4.514 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.244 3.024 6.225 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.971 2.910 7.040 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -9.012 2.267 6.565 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -10.060 3.300 8.227 1.00 0.00 O ATOM 0 H ASP A 102 -11.435 1.958 8.447 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.149 2.004 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.004 3.086 5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.775 3.939 6.486 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.962 -0.355 6.399 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.397 -1.556 5.798 1.00 0.00 C ATOM 1789 C TYR A 103 -9.242 -1.323 4.815 1.00 0.00 C ATOM 1790 O TYR A 103 -8.961 -2.202 3.992 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.504 -2.466 5.258 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.517 -2.849 6.311 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.170 -3.826 7.261 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.794 -2.256 6.327 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.064 -4.146 8.288 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.709 -2.606 7.336 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.318 -3.503 8.353 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.171 -3.794 9.368 1.00 0.00 O ATOM 0 H TYR A 103 -10.846 -0.324 7.412 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.898 -2.088 6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.014 -1.961 4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.055 -3.370 4.847 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.216 -4.328 7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.069 -1.537 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.795 -4.884 9.030 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.706 -2.190 7.333 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.990 -3.266 9.268 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.577 -0.172 4.834 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.425 0.119 3.981 1.00 0.00 C ATOM 1810 C PHE A 104 -6.179 0.053 4.876 1.00 0.00 C ATOM 1811 O PHE A 104 -6.292 0.242 6.090 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.556 1.499 3.330 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.345 1.568 2.039 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.735 1.221 0.820 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.646 2.100 2.036 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -8.401 1.451 -0.400 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -10.302 2.354 0.818 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.668 2.061 -0.401 1.00 0.00 C ATOM 0 H PHE A 104 -8.826 0.600 5.453 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.357 -0.604 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.021 2.172 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.554 1.881 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.751 0.776 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -10.143 2.314 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.940 1.160 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -11.296 2.776 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.152 2.303 -1.336 1.00 0.00 H new ATOM 1828 N LEU A 105 -5.007 -0.251 4.300 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.757 -0.317 5.063 1.00 0.00 C ATOM 1830 C LEU A 105 -2.757 0.666 4.463 1.00 0.00 C ATOM 1831 O LEU A 105 -2.739 0.881 3.246 1.00 0.00 O ATOM 1832 CB LEU A 105 -3.234 -1.763 5.149 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.912 -2.252 6.580 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.696 -1.529 7.175 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -4.077 -2.141 7.571 1.00 0.00 C ATOM 0 H LEU A 105 -4.901 -0.455 3.306 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.929 -0.017 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.977 -2.430 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.333 -1.845 4.541 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.695 -3.312 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.506 -1.904 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.822 -1.711 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.895 -0.458 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.760 -2.506 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.385 -1.099 7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.916 -2.739 7.215 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.885 1.213 5.304 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.890 2.200 4.936 1.00 0.00 C ATOM 1849 C TYR A 106 0.550 1.702 4.874 1.00 0.00 C ATOM 1850 O TYR A 106 1.009 0.992 5.767 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.963 3.300 5.987 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.132 4.486 5.588 1.00 0.00 C ATOM 1853 CD1 TYR A 106 -0.621 5.347 4.596 1.00 0.00 C ATOM 1854 CD2 TYR A 106 1.158 4.660 6.119 1.00 0.00 C ATOM 1855 CE1 TYR A 106 0.190 6.377 4.109 1.00 0.00 C ATOM 1856 CE2 TYR A 106 1.983 5.685 5.632 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.501 6.533 4.610 1.00 0.00 C ATOM 1858 OH TYR A 106 2.305 7.494 4.096 1.00 0.00 O ATOM 0 H TYR A 106 -1.855 0.969 6.294 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.126 2.521 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.000 3.608 6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.616 2.915 6.946 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.621 5.215 4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.514 4.005 6.901 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.185 7.051 3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.976 5.824 6.034 1.00 0.00 H new ATOM 0 HH TYR A 106 1.762 8.151 3.613 1.00 0.00 H new ATOM 1868 N VAL A 107 1.272 2.077 3.818 1.00 0.00 N ATOM 1869 CA VAL A 107 2.668 1.743 3.598 1.00 0.00 C ATOM 1870 C VAL A 107 3.400 2.988 3.066 1.00 0.00 C ATOM 1871 O VAL A 107 2.904 3.686 2.181 1.00 0.00 O ATOM 1872 CB VAL A 107 2.748 0.500 2.686 1.00 0.00 C ATOM 1873 CG1 VAL A 107 4.117 0.268 2.040 1.00 0.00 C ATOM 1874 CG2 VAL A 107 2.395 -0.778 3.470 1.00 0.00 C ATOM 0 H VAL A 107 0.879 2.644 3.066 1.00 0.00 H new ATOM 0 HA VAL A 107 3.178 1.468 4.521 1.00 0.00 H new ATOM 0 HB VAL A 107 2.030 0.706 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.079 -0.626 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.379 1.128 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.869 0.137 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.458 -1.641 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.095 -0.903 4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.382 -0.696 3.863 1.00 0.00 H new ATOM 1884 N ALA A 108 4.603 3.258 3.568 1.00 0.00 N ATOM 1885 CA ALA A 108 5.465 4.368 3.166 1.00 0.00 C ATOM 1886 C ALA A 108 6.808 3.770 2.740 1.00 0.00 C ATOM 1887 O ALA A 108 7.160 2.694 3.233 1.00 0.00 O ATOM 1888 CB ALA A 108 5.627 5.386 4.295 1.00 0.00 C ATOM 0 H ALA A 108 5.023 2.683 4.299 1.00 0.00 H new ATOM 0 HA ALA A 108 5.020 4.915 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.274 6.198 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.650 5.787 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.073 4.899 5.163 1.00 0.00 H new ATOM 1894 N TYR A 109 7.558 4.425 1.845 1.00 0.00 N ATOM 1895 CA TYR A 109 8.849 3.925 1.370 1.00 0.00 C ATOM 1896 C TYR A 109 9.931 5.000 1.268 1.00 0.00 C ATOM 1897 O TYR A 109 9.635 6.138 0.892 1.00 0.00 O ATOM 1898 CB TYR A 109 8.675 3.226 0.016 1.00 0.00 C ATOM 1899 CG TYR A 109 8.172 4.010 -1.183 1.00 0.00 C ATOM 1900 CD1 TYR A 109 6.796 4.211 -1.363 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.061 4.392 -2.208 1.00 0.00 C ATOM 1902 CE1 TYR A 109 6.307 4.795 -2.541 1.00 0.00 C ATOM 1903 CE2 TYR A 109 8.574 4.921 -3.418 1.00 0.00 C ATOM 1904 CZ TYR A 109 7.188 5.119 -3.595 1.00 0.00 C ATOM 1905 OH TYR A 109 6.695 5.571 -4.782 1.00 0.00 O ATOM 0 H TYR A 109 7.285 5.316 1.431 1.00 0.00 H new ATOM 0 HA TYR A 109 9.195 3.216 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.641 2.801 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.991 2.391 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.106 3.913 -0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.125 4.278 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.251 4.998 -2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.261 5.175 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 109 7.436 5.748 -5.398 1.00 0.00 H new ATOM 1915 N SER A 110 11.184 4.623 1.566 1.00 0.00 N ATOM 1916 CA SER A 110 12.333 5.513 1.513 1.00 0.00 C ATOM 1917 C SER A 110 13.640 4.761 1.207 1.00 0.00 C ATOM 1918 O SER A 110 13.760 3.553 1.437 1.00 0.00 O ATOM 1919 CB SER A 110 12.454 6.254 2.854 1.00 0.00 C ATOM 1920 OG SER A 110 13.386 7.313 2.757 1.00 0.00 O ATOM 0 H SER A 110 11.421 3.674 1.854 1.00 0.00 H new ATOM 0 HA SER A 110 12.175 6.221 0.700 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.480 6.646 3.148 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.766 5.558 3.633 1.00 0.00 H new ATOM 0 HG SER A 110 14.076 7.205 3.444 1.00 0.00 H new ATOM 1926 N ASP A 111 14.617 5.527 0.710 1.00 0.00 N ATOM 1927 CA ASP A 111 15.989 5.154 0.335 1.00 0.00 C ATOM 1928 C ASP A 111 16.957 5.520 1.470 1.00 0.00 C ATOM 1929 O ASP A 111 18.054 4.975 1.571 1.00 0.00 O ATOM 1930 CB ASP A 111 16.395 5.966 -0.908 1.00 0.00 C ATOM 1931 CG ASP A 111 17.889 5.883 -1.250 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.376 4.798 -1.635 1.00 0.00 O ATOM 1933 OD2 ASP A 111 18.582 6.923 -1.154 1.00 0.00 O ATOM 0 H ASP A 111 14.453 6.520 0.543 1.00 0.00 H new ATOM 0 HA ASP A 111 16.030 4.083 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.817 5.615 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.127 7.011 -0.750 1.00 0.00 H new ATOM 1938 N GLU A 112 16.538 6.438 2.344 1.00 0.00 N ATOM 1939 CA GLU A 112 17.294 6.943 3.478 1.00 0.00 C ATOM 1940 C GLU A 112 16.461 6.736 4.742 1.00 0.00 C ATOM 1941 O GLU A 112 15.228 6.686 4.656 1.00 0.00 O ATOM 1942 CB GLU A 112 17.579 8.420 3.203 1.00 0.00 C ATOM 1943 CG GLU A 112 18.571 9.059 4.174 1.00 0.00 C ATOM 1944 CD GLU A 112 18.580 10.569 3.978 1.00 0.00 C ATOM 1945 OE1 GLU A 112 19.203 11.074 3.019 1.00 0.00 O ATOM 1946 OE2 GLU A 112 17.951 11.281 4.795 1.00 0.00 O ATOM 0 H GLU A 112 15.615 6.867 2.271 1.00 0.00 H new ATOM 0 HA GLU A 112 18.241 6.423 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.965 8.521 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.641 8.973 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.297 8.817 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.570 8.655 4.007 1.00 0.00 H new ATOM 1953 N SER A 113 17.089 6.651 5.908 1.00 0.00 N ATOM 1954 CA SER A 113 16.438 6.441 7.196 1.00 0.00 C ATOM 1955 C SER A 113 15.550 7.644 7.548 1.00 0.00 C ATOM 1956 O SER A 113 16.041 8.677 8.020 1.00 0.00 O ATOM 1957 CB SER A 113 17.530 6.155 8.241 1.00 0.00 C ATOM 1958 OG SER A 113 18.617 7.068 8.138 1.00 0.00 O ATOM 0 H SER A 113 18.103 6.729 5.986 1.00 0.00 H new ATOM 0 HA SER A 113 15.768 5.582 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.100 6.214 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.898 5.137 8.112 1.00 0.00 H new ATOM 0 HG SER A 113 18.271 7.984 8.086 1.00 0.00 H new ATOM 1964 N VAL A 114 14.245 7.526 7.313 1.00 0.00 N ATOM 1965 CA VAL A 114 13.244 8.558 7.554 1.00 0.00 C ATOM 1966 C VAL A 114 11.990 7.899 8.140 1.00 0.00 C ATOM 1967 O VAL A 114 11.589 6.816 7.701 1.00 0.00 O ATOM 1968 CB VAL A 114 12.957 9.284 6.213 1.00 0.00 C ATOM 1969 CG1 VAL A 114 11.916 10.398 6.365 1.00 0.00 C ATOM 1970 CG2 VAL A 114 14.199 9.933 5.579 1.00 0.00 C ATOM 0 H VAL A 114 13.841 6.670 6.933 1.00 0.00 H new ATOM 0 HA VAL A 114 13.594 9.300 8.271 1.00 0.00 H new ATOM 0 HB VAL A 114 12.590 8.486 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.750 10.875 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.979 9.974 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.277 11.139 7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.918 10.420 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.613 10.673 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 114 14.947 9.166 5.377 1.00 0.00 H new ATOM 1980 N TYR A 115 11.413 8.532 9.164 1.00 0.00 N ATOM 1981 CA TYR A 115 10.205 8.083 9.851 1.00 0.00 C ATOM 1982 C TYR A 115 8.949 8.448 9.067 1.00 0.00 C ATOM 1983 O TYR A 115 7.827 8.177 9.555 1.00 0.00 O ATOM 1984 CB TYR A 115 10.201 8.585 11.305 1.00 0.00 C ATOM 1985 CG TYR A 115 10.347 10.076 11.594 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.885 11.069 10.706 1.00 0.00 C ATOM 1987 CD2 TYR A 115 10.969 10.478 12.792 1.00 0.00 C ATOM 1988 CE1 TYR A 115 10.059 12.432 10.998 1.00 0.00 C ATOM 1989 CE2 TYR A 115 11.161 11.839 13.091 1.00 0.00 C ATOM 1990 CZ TYR A 115 10.701 12.827 12.194 1.00 0.00 C ATOM 1991 OH TYR A 115 10.834 14.145 12.500 1.00 0.00 O ATOM 0 H TYR A 115 11.788 9.399 9.549 1.00 0.00 H new ATOM 0 HA TYR A 115 10.204 6.994 9.900 1.00 0.00 H new ATOM 0 HB2 TYR A 115 9.267 8.256 11.760 1.00 0.00 H new ATOM 0 HB3 TYR A 115 11.008 8.072 11.828 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.391 10.778 9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 115 11.304 9.728 13.493 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.701 13.181 10.307 1.00 0.00 H new ATOM 0 HE2 TYR A 115 11.659 12.127 14.005 1.00 0.00 H new ATOM 0 HH TYR A 115 11.298 14.236 13.358 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -12.520 5.809 -7.419 1.00 0.00 N ATOM 2003 CA GLY B 722 -13.410 6.871 -7.911 1.00 0.00 C ATOM 2004 C GLY B 722 -14.747 6.818 -7.197 1.00 0.00 C ATOM 2005 O GLY B 722 -14.844 6.255 -6.106 1.00 0.00 O ATOM 0 HA2 GLY B 722 -12.946 7.844 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -13.560 6.759 -8.985 1.00 0.00 H new ATOM 2009 N ALA B 723 -15.781 7.445 -7.768 1.00 0.00 N ATOM 2010 CA ALA B 723 -17.095 7.438 -7.148 1.00 0.00 C ATOM 2011 C ALA B 723 -17.775 6.098 -7.454 1.00 0.00 C ATOM 2012 O ALA B 723 -18.350 5.897 -8.524 1.00 0.00 O ATOM 2013 CB ALA B 723 -17.914 8.632 -7.661 1.00 0.00 C ATOM 0 H ALA B 723 -15.728 7.956 -8.649 1.00 0.00 H new ATOM 0 HA ALA B 723 -17.014 7.541 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -18.899 8.625 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -17.401 9.560 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -18.024 8.560 -8.743 1.00 0.00 H new ATOM 2019 N MET B 724 -17.755 5.189 -6.480 1.00 0.00 N ATOM 2020 CA MET B 724 -18.378 3.877 -6.606 1.00 0.00 C ATOM 2021 C MET B 724 -19.886 4.100 -6.420 1.00 0.00 C ATOM 2022 O MET B 724 -20.298 4.568 -5.352 1.00 0.00 O ATOM 2023 CB MET B 724 -17.759 2.941 -5.559 1.00 0.00 C ATOM 2024 CG MET B 724 -18.452 1.581 -5.439 1.00 0.00 C ATOM 2025 SD MET B 724 -17.857 0.582 -4.047 1.00 0.00 S ATOM 2026 CE MET B 724 -18.277 1.686 -2.666 1.00 0.00 C ATOM 0 H MET B 724 -17.304 5.345 -5.579 1.00 0.00 H new ATOM 0 HA MET B 724 -18.213 3.403 -7.574 1.00 0.00 H new ATOM 0 HB2 MET B 724 -16.710 2.780 -5.808 1.00 0.00 H new ATOM 0 HB3 MET B 724 -17.784 3.435 -4.588 1.00 0.00 H new ATOM 0 HG2 MET B 724 -19.525 1.738 -5.330 1.00 0.00 H new ATOM 0 HG3 MET B 724 -18.304 1.024 -6.364 1.00 0.00 H new ATOM 0 HE1 MET B 724 -18.386 1.101 -1.753 1.00 0.00 H new ATOM 0 HE2 MET B 724 -17.483 2.421 -2.534 1.00 0.00 H new ATOM 0 HE3 MET B 724 -19.214 2.199 -2.882 1.00 0.00 H new ATOM 2036 N GLY B 725 -20.703 3.796 -7.428 1.00 0.00 N ATOM 2037 CA GLY B 725 -22.156 3.975 -7.391 1.00 0.00 C ATOM 2038 C GLY B 725 -22.926 2.828 -8.042 1.00 0.00 C ATOM 2039 O GLY B 725 -24.095 2.994 -8.401 1.00 0.00 O ATOM 0 H GLY B 725 -20.368 3.411 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -22.476 4.075 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -22.413 4.907 -7.895 1.00 0.00 H new ATOM 2043 N SER B 726 -22.292 1.670 -8.223 1.00 0.00 N ATOM 2044 CA SER B 726 -22.880 0.477 -8.825 1.00 0.00 C ATOM 2045 C SER B 726 -22.762 -0.680 -7.829 1.00 0.00 C ATOM 2046 O SER B 726 -22.069 -0.543 -6.819 1.00 0.00 O ATOM 2047 CB SER B 726 -22.166 0.207 -10.155 1.00 0.00 C ATOM 2048 OG SER B 726 -22.207 1.370 -10.973 1.00 0.00 O ATOM 0 H SER B 726 -21.320 1.533 -7.944 1.00 0.00 H new ATOM 0 HA SER B 726 -23.940 0.605 -9.044 1.00 0.00 H new ATOM 0 HB2 SER B 726 -21.131 -0.081 -9.970 1.00 0.00 H new ATOM 0 HB3 SER B 726 -22.642 -0.627 -10.670 1.00 0.00 H new ATOM 0 HG SER B 726 -21.748 1.191 -11.820 1.00 0.00 H new ATOM 2054 N ALA B 727 -23.420 -1.815 -8.090 1.00 0.00 N ATOM 2055 CA ALA B 727 -23.394 -2.995 -7.214 1.00 0.00 C ATOM 2056 C ALA B 727 -22.000 -3.637 -7.114 1.00 0.00 C ATOM 2057 O ALA B 727 -21.727 -4.418 -6.201 1.00 0.00 O ATOM 2058 CB ALA B 727 -24.404 -4.024 -7.732 1.00 0.00 C ATOM 0 H ALA B 727 -23.992 -1.943 -8.924 1.00 0.00 H new ATOM 0 HA ALA B 727 -23.659 -2.664 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -24.391 -4.903 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -25.403 -3.587 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -24.138 -4.315 -8.748 1.00 0.00 H new ATOM 2064 N SER B 728 -21.124 -3.284 -8.048 1.00 0.00 N ATOM 2065 CA SER B 728 -19.751 -3.707 -8.241 1.00 0.00 C ATOM 2066 C SER B 728 -18.815 -3.361 -7.074 1.00 0.00 C ATOM 2067 O SER B 728 -19.238 -2.925 -5.997 1.00 0.00 O ATOM 2068 CB SER B 728 -19.278 -2.969 -9.507 1.00 0.00 C ATOM 2069 OG SER B 728 -20.253 -3.073 -10.529 1.00 0.00 O ATOM 0 H SER B 728 -21.396 -2.616 -8.769 1.00 0.00 H new ATOM 0 HA SER B 728 -19.718 -4.794 -8.318 1.00 0.00 H new ATOM 0 HB2 SER B 728 -19.093 -1.920 -9.277 1.00 0.00 H new ATOM 0 HB3 SER B 728 -18.334 -3.391 -9.851 1.00 0.00 H new ATOM 0 HG SER B 728 -19.941 -2.598 -11.328 1.00 0.00 H new ATOM 2075 N SER B 729 -17.536 -3.671 -7.267 1.00 0.00 N ATOM 2076 CA SER B 729 -16.419 -3.411 -6.372 1.00 0.00 C ATOM 2077 C SER B 729 -15.456 -2.518 -7.185 1.00 0.00 C ATOM 2078 O SER B 729 -15.716 -2.229 -8.359 1.00 0.00 O ATOM 2079 CB SER B 729 -15.785 -4.717 -5.855 1.00 0.00 C ATOM 2080 OG SER B 729 -16.521 -5.236 -4.762 1.00 0.00 O ATOM 0 H SER B 729 -17.234 -4.146 -8.118 1.00 0.00 H new ATOM 0 HA SER B 729 -16.722 -2.902 -5.457 1.00 0.00 H new ATOM 0 HB2 SER B 729 -15.751 -5.453 -6.658 1.00 0.00 H new ATOM 0 HB3 SER B 729 -14.755 -4.531 -5.550 1.00 0.00 H new ATOM 0 HG SER B 729 -15.958 -5.857 -4.254 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.384 -2.030 -6.568 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.411 -1.164 -7.227 1.00 0.00 C ATOM 2088 C GLU B 730 -12.227 -1.988 -7.760 1.00 0.00 C ATOM 2089 O GLU B 730 -12.149 -3.199 -7.524 1.00 0.00 O ATOM 2090 CB GLU B 730 -13.009 -0.070 -6.219 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.185 1.030 -6.911 1.00 0.00 C ATOM 2092 CD GLU B 730 -12.501 2.436 -6.428 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -11.954 2.841 -5.383 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -13.235 3.141 -7.171 1.00 0.00 O ATOM 0 H GLU B 730 -14.164 -2.225 -5.591 1.00 0.00 H new ATOM 0 HA GLU B 730 -13.833 -0.678 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.902 0.365 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -12.429 -0.511 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -11.125 0.831 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -12.359 0.978 -7.986 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.295 -1.346 -8.466 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.099 -1.935 -9.053 1.00 0.00 C ATOM 2103 C ASP B 731 -8.884 -1.159 -8.551 1.00 0.00 C ATOM 2104 O ASP B 731 -8.894 0.077 -8.530 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.094 -1.840 -10.586 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.342 -2.379 -11.267 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -12.270 -1.584 -11.511 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -11.387 -3.563 -11.666 1.00 0.00 O ATOM 0 H ASP B 731 -11.362 -0.345 -8.652 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.075 -2.986 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -9.966 -0.795 -10.870 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.228 -2.382 -10.966 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.833 -1.879 -8.168 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.544 -1.383 -7.685 1.00 0.00 C ATOM 2115 C TYR B 732 -5.457 -2.177 -8.414 1.00 0.00 C ATOM 2116 O TYR B 732 -5.782 -3.026 -9.250 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.451 -1.493 -6.151 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.541 -0.749 -5.395 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.860 0.586 -5.711 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -8.277 -1.407 -4.397 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.950 1.235 -5.106 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -9.368 -0.767 -3.787 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.736 0.548 -4.158 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.852 1.127 -3.629 1.00 0.00 O ATOM 0 H TYR B 732 -7.860 -2.898 -8.188 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.418 -0.322 -7.901 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.488 -2.546 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.481 -1.113 -5.831 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.257 1.120 -6.430 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -8.003 -2.408 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -9.185 2.257 -5.366 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.933 -1.285 -3.026 1.00 0.00 H new ATOM 0 HH TYR B 732 -11.170 1.833 -4.230 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.181 -1.956 -8.114 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.107 -2.671 -8.783 1.00 0.00 C ATOM 2136 C ILE B 733 -2.927 -4.009 -8.059 1.00 0.00 C ATOM 2137 O ILE B 733 -2.324 -4.067 -6.990 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.826 -1.803 -8.784 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.038 -0.391 -9.370 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.668 -2.500 -9.516 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.451 -0.348 -10.839 1.00 0.00 C ATOM 0 H ILE B 733 -3.868 -1.286 -7.411 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.339 -2.872 -9.829 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.566 -1.681 -7.733 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -2.801 0.118 -8.781 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.114 0.175 -9.253 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.214 -1.859 -9.495 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.442 -3.445 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -0.954 -2.691 -10.550 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -2.574 0.689 -11.152 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -1.681 -0.822 -11.447 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -3.394 -0.880 -10.968 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.451 -5.095 -8.632 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.340 -6.441 -8.072 1.00 0.00 C ATOM 2155 C ILE B 734 -1.901 -6.858 -8.372 1.00 0.00 C ATOM 2156 O ILE B 734 -1.470 -6.827 -9.532 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.364 -7.408 -8.724 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.815 -6.999 -8.374 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.099 -8.865 -8.282 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.886 -7.788 -9.140 1.00 0.00 C ATOM 0 H ILE B 734 -3.971 -5.062 -9.509 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.560 -6.467 -7.005 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.241 -7.344 -9.805 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.973 -7.136 -7.304 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.943 -5.937 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.828 -9.526 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.094 -9.160 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.187 -8.938 -7.198 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.876 -7.444 -8.840 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.757 -7.632 -10.211 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.787 -8.850 -8.914 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.128 -7.197 -7.345 1.00 0.00 N ATOM 2173 CA ILE B 735 0.259 -7.597 -7.501 1.00 0.00 C ATOM 2174 C ILE B 735 0.565 -8.662 -6.450 1.00 0.00 C ATOM 2175 O ILE B 735 0.155 -8.550 -5.298 1.00 0.00 O ATOM 2176 CB ILE B 735 1.131 -6.322 -7.450 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.571 -6.591 -7.922 1.00 0.00 C ATOM 2178 CG2 ILE B 735 1.099 -5.631 -6.078 1.00 0.00 C ATOM 2179 CD1 ILE B 735 3.276 -5.294 -8.348 1.00 0.00 C ATOM 0 H ILE B 735 -1.452 -7.201 -6.378 1.00 0.00 H new ATOM 0 HA ILE B 735 0.480 -8.064 -8.461 1.00 0.00 H new ATOM 0 HB ILE B 735 0.684 -5.621 -8.155 1.00 0.00 H new ATOM 0 HG12 ILE B 735 3.135 -7.066 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE B 735 2.556 -7.290 -8.758 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.730 -4.742 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE B 735 0.075 -5.343 -5.840 1.00 0.00 H new ATOM 0 HG23 ILE B 735 1.469 -6.317 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE B 735 4.290 -5.522 -8.675 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.725 -4.833 -9.168 1.00 0.00 H new ATOM 0 HD13 ILE B 735 3.313 -4.606 -7.504 1.00 0.00 H new ATOM 2191 N LEU B 736 1.235 -9.732 -6.861 1.00 0.00 N ATOM 2192 CA LEU B 736 1.613 -10.866 -6.029 1.00 0.00 C ATOM 2193 C LEU B 736 2.650 -11.685 -6.807 1.00 0.00 C ATOM 2194 O LEU B 736 2.716 -11.539 -8.035 1.00 0.00 O ATOM 2195 CB LEU B 736 0.370 -11.692 -5.620 1.00 0.00 C ATOM 2196 CG LEU B 736 -0.519 -12.306 -6.722 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -1.566 -13.199 -6.048 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -1.299 -11.278 -7.557 1.00 0.00 C ATOM 0 H LEU B 736 1.543 -9.837 -7.828 1.00 0.00 H new ATOM 0 HA LEU B 736 2.058 -10.533 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU B 736 0.712 -12.507 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -0.263 -11.051 -5.006 1.00 0.00 H new ATOM 0 HG LEU B 736 0.156 -12.837 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -2.207 -13.645 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU B 736 -1.065 -13.988 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -2.172 -12.600 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -1.897 -11.796 -8.307 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -1.955 -10.702 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -0.599 -10.605 -8.053 1.00 0.00 H new ATOM 2210 N PRO B 737 3.517 -12.474 -6.149 1.00 0.00 N ATOM 2211 CA PRO B 737 4.504 -13.277 -6.856 1.00 0.00 C ATOM 2212 C PRO B 737 3.813 -14.465 -7.532 1.00 0.00 C ATOM 2213 O PRO B 737 2.707 -14.861 -7.163 1.00 0.00 O ATOM 2214 CB PRO B 737 5.484 -13.752 -5.785 1.00 0.00 C ATOM 2215 CG PRO B 737 4.576 -13.902 -4.570 1.00 0.00 C ATOM 2216 CD PRO B 737 3.587 -12.745 -4.719 1.00 0.00 C ATOM 0 HA PRO B 737 5.016 -12.716 -7.638 1.00 0.00 H new ATOM 0 HB2 PRO B 737 5.961 -14.694 -6.057 1.00 0.00 H new ATOM 0 HB3 PRO B 737 6.281 -13.029 -5.612 1.00 0.00 H new ATOM 0 HG2 PRO B 737 4.068 -14.866 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO B 737 5.137 -13.833 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO B 737 2.608 -13.012 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO B 737 3.925 -11.867 -4.169 1.00 0.00 H new ATOM 2224 N GLU B 738 4.507 -15.078 -8.480 1.00 0.00 N ATOM 2225 CA GLU B 738 4.030 -16.226 -9.246 1.00 0.00 C ATOM 2226 C GLU B 738 4.791 -17.505 -8.881 1.00 0.00 C ATOM 2227 O GLU B 738 4.629 -18.517 -9.564 1.00 0.00 O ATOM 2228 CB GLU B 738 4.231 -15.915 -10.741 1.00 0.00 C ATOM 2229 CG GLU B 738 5.723 -15.781 -11.095 1.00 0.00 C ATOM 2230 CD GLU B 738 5.930 -15.588 -12.588 1.00 0.00 C ATOM 2231 OE1 GLU B 738 5.953 -14.417 -13.033 1.00 0.00 O ATOM 2232 OE2 GLU B 738 6.148 -16.598 -13.293 1.00 0.00 O ATOM 0 H GLU B 738 5.446 -14.783 -8.747 1.00 0.00 H new ATOM 0 HA GLU B 738 2.978 -16.395 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU B 738 3.783 -16.707 -11.342 1.00 0.00 H new ATOM 0 HB3 GLU B 738 3.712 -14.991 -10.994 1.00 0.00 H new ATOM 0 HG2 GLU B 738 6.151 -14.936 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU B 738 6.257 -16.672 -10.766 1.00 0.00 H new ATOM 2239 N SER B 739 5.661 -17.463 -7.870 1.00 0.00 N ATOM 2240 CA SER B 739 6.482 -18.586 -7.452 1.00 0.00 C ATOM 2241 C SER B 739 6.602 -18.681 -5.950 1.00 0.00 C ATOM 2242 O SER B 739 7.139 -19.703 -5.461 1.00 0.00 O ATOM 2243 CB SER B 739 7.849 -18.400 -8.115 1.00 0.00 C ATOM 2244 OG SER B 739 8.411 -17.125 -7.834 1.00 0.00 O ATOM 0 H SER B 739 5.813 -16.624 -7.310 1.00 0.00 H new ATOM 0 HA SER B 739 6.022 -19.525 -7.761 1.00 0.00 H new ATOM 0 HB2 SER B 739 8.528 -19.179 -7.769 1.00 0.00 H new ATOM 0 HB3 SER B 739 7.748 -18.521 -9.193 1.00 0.00 H new ATOM 0 HG SER B 739 9.283 -17.048 -8.274 1.00 0.00 H new TER 2250 SER B 739