USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= -0.0929 X(o=0.94,f=0.54) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.999) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0178 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0.763 (180deg=0.561) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0851 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.017) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.2!) USER MOD Single : A 26 HIS : no HE2:sc= -0.836 K(o=-0.84,f=-8.9!) USER MOD Single : A 28 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.016) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot 78:sc= -1.51! USER MOD Single : A 40 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.3!) USER MOD Single : A 50 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.9) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00961 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.059 16.967 9.211 1.00 0.00 N ATOM 2 CA GLY A 1 -12.648 17.351 9.296 1.00 0.00 C ATOM 3 C GLY A 1 -11.919 16.391 10.215 1.00 0.00 C ATOM 4 O GLY A 1 -12.096 15.181 10.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.381 17.046 8.225 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.172 15.985 9.535 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.627 17.597 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.196 17.337 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.559 18.370 9.672 1.00 0.00 H new ATOM 8 N SER A 2 -11.118 16.930 11.141 1.00 0.00 N ATOM 9 CA SER A 2 -10.250 16.282 12.132 1.00 0.00 C ATOM 10 C SER A 2 -9.185 17.312 12.557 1.00 0.00 C ATOM 11 O SER A 2 -9.303 18.491 12.200 1.00 0.00 O ATOM 12 CB SER A 2 -9.641 14.969 11.605 1.00 0.00 C ATOM 13 OG SER A 2 -9.010 15.155 10.349 1.00 0.00 O ATOM 0 H SER A 2 -11.055 17.945 11.223 1.00 0.00 H new ATOM 0 HA SER A 2 -10.832 15.980 13.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.916 14.589 12.325 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.423 14.216 11.512 1.00 0.00 H new ATOM 0 HG SER A 2 -8.633 14.304 10.043 1.00 0.00 H new ATOM 19 N SER A 3 -8.153 16.910 13.302 1.00 0.00 N ATOM 20 CA SER A 3 -6.968 17.730 13.554 1.00 0.00 C ATOM 21 C SER A 3 -5.693 16.882 13.408 1.00 0.00 C ATOM 22 O SER A 3 -5.738 15.653 13.541 1.00 0.00 O ATOM 23 CB SER A 3 -7.106 18.419 14.925 1.00 0.00 C ATOM 24 OG SER A 3 -7.702 17.580 15.903 1.00 0.00 O ATOM 0 H SER A 3 -8.117 15.995 13.752 1.00 0.00 H new ATOM 0 HA SER A 3 -6.884 18.523 12.811 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.120 18.730 15.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.705 19.323 14.814 1.00 0.00 H new ATOM 0 HG SER A 3 -7.765 18.063 16.754 1.00 0.00 H new ATOM 30 N GLY A 4 -4.550 17.526 13.144 1.00 0.00 N ATOM 31 CA GLY A 4 -3.229 16.912 13.021 1.00 0.00 C ATOM 32 C GLY A 4 -2.800 16.665 11.570 1.00 0.00 C ATOM 33 O GLY A 4 -1.604 16.737 11.282 1.00 0.00 O ATOM 0 H GLY A 4 -4.523 18.536 13.004 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.493 17.554 13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.227 15.964 13.558 1.00 0.00 H new ATOM 37 N SER A 5 -3.738 16.414 10.646 1.00 0.00 N ATOM 38 CA SER A 5 -3.470 16.020 9.259 1.00 0.00 C ATOM 39 C SER A 5 -2.408 14.908 9.127 1.00 0.00 C ATOM 40 O SER A 5 -1.614 14.910 8.183 1.00 0.00 O ATOM 41 CB SER A 5 -3.110 17.260 8.430 1.00 0.00 C ATOM 42 OG SER A 5 -4.216 18.117 8.189 1.00 0.00 O ATOM 0 H SER A 5 -4.735 16.482 10.851 1.00 0.00 H new ATOM 0 HA SER A 5 -4.385 15.579 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.331 17.820 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.692 16.941 7.475 1.00 0.00 H new ATOM 0 HG SER A 5 -3.923 18.888 7.659 1.00 0.00 H new ATOM 48 N SER A 6 -2.380 13.952 10.057 1.00 0.00 N ATOM 49 CA SER A 6 -1.407 12.871 10.093 1.00 0.00 C ATOM 50 C SER A 6 -2.111 11.517 10.248 1.00 0.00 C ATOM 51 O SER A 6 -3.305 11.440 10.565 1.00 0.00 O ATOM 52 CB SER A 6 -0.379 13.190 11.188 1.00 0.00 C ATOM 53 OG SER A 6 -0.974 13.369 12.462 1.00 0.00 O ATOM 0 H SER A 6 -3.052 13.912 10.823 1.00 0.00 H new ATOM 0 HA SER A 6 -0.861 12.790 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.350 12.382 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.167 14.094 10.916 1.00 0.00 H new ATOM 0 HG SER A 6 -0.278 13.568 13.123 1.00 0.00 H new ATOM 59 N GLY A 7 -1.385 10.429 10.020 1.00 0.00 N ATOM 60 CA GLY A 7 -1.932 9.085 10.032 1.00 0.00 C ATOM 61 C GLY A 7 -1.260 8.289 8.939 1.00 0.00 C ATOM 62 O GLY A 7 -1.785 8.211 7.829 1.00 0.00 O ATOM 0 H GLY A 7 -0.385 10.460 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.764 8.616 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.010 9.113 9.873 1.00 0.00 H new ATOM 66 N VAL A 8 -0.093 7.722 9.237 1.00 0.00 N ATOM 67 CA VAL A 8 0.509 6.742 8.348 1.00 0.00 C ATOM 68 C VAL A 8 -0.377 5.497 8.288 1.00 0.00 C ATOM 69 O VAL A 8 -1.290 5.303 9.098 1.00 0.00 O ATOM 70 CB VAL A 8 1.941 6.392 8.792 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.803 7.652 8.897 1.00 0.00 C ATOM 72 CG2 VAL A 8 1.977 5.610 10.111 1.00 0.00 C ATOM 0 H VAL A 8 0.447 7.924 10.079 1.00 0.00 H new ATOM 0 HA VAL A 8 0.583 7.169 7.348 1.00 0.00 H new ATOM 0 HB VAL A 8 2.354 5.741 8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.810 7.379 9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.848 8.144 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.366 8.332 9.628 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.011 5.390 10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.519 6.206 10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.426 4.677 9.996 1.00 0.00 H new ATOM 82 N GLU A 9 -0.050 4.596 7.376 1.00 0.00 N ATOM 83 CA GLU A 9 -0.684 3.301 7.282 1.00 0.00 C ATOM 84 C GLU A 9 0.355 2.275 6.827 1.00 0.00 C ATOM 85 O GLU A 9 1.485 2.623 6.464 1.00 0.00 O ATOM 86 CB GLU A 9 -1.859 3.435 6.308 1.00 0.00 C ATOM 87 CG GLU A 9 -2.828 2.249 6.369 1.00 0.00 C ATOM 88 CD GLU A 9 -3.989 2.392 5.382 1.00 0.00 C ATOM 89 OE1 GLU A 9 -3.903 3.215 4.435 1.00 0.00 O ATOM 90 OE2 GLU A 9 -4.965 1.613 5.491 1.00 0.00 O ATOM 0 H GLU A 9 0.673 4.750 6.673 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.072 2.956 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.403 4.353 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.473 3.529 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.285 1.328 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.224 2.159 7.381 1.00 0.00 H new ATOM 97 N ASN A 10 -0.036 1.006 6.832 1.00 0.00 N ATOM 98 CA ASN A 10 0.574 -0.036 6.031 1.00 0.00 C ATOM 99 C ASN A 10 0.606 0.365 4.547 1.00 0.00 C ATOM 100 O ASN A 10 -0.084 1.292 4.099 1.00 0.00 O ATOM 101 CB ASN A 10 -0.238 -1.337 6.170 1.00 0.00 C ATOM 102 CG ASN A 10 -0.445 -1.840 7.587 1.00 0.00 C ATOM 103 OD1 ASN A 10 0.512 -2.205 8.269 1.00 0.00 O ATOM 104 ND2 ASN A 10 -1.683 -1.893 8.054 1.00 0.00 N ATOM 0 H ASN A 10 -0.806 0.670 7.410 1.00 0.00 H new ATOM 0 HA ASN A 10 1.594 -0.185 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.216 -1.183 5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.262 -2.118 5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.858 -2.242 8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.462 -1.585 7.471 1.00 0.00 H new ATOM 111 N LEU A 11 1.341 -0.417 3.757 1.00 0.00 N ATOM 112 CA LEU A 11 1.376 -0.320 2.312 1.00 0.00 C ATOM 113 C LEU A 11 -0.011 -0.677 1.752 1.00 0.00 C ATOM 114 O LEU A 11 -0.761 -1.458 2.340 1.00 0.00 O ATOM 115 CB LEU A 11 2.554 -1.189 1.828 1.00 0.00 C ATOM 116 CG LEU A 11 2.579 -1.470 0.336 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.821 -0.206 -0.487 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.688 -2.501 0.102 1.00 0.00 C ATOM 0 H LEU A 11 1.943 -1.154 4.123 1.00 0.00 H new ATOM 0 HA LEU A 11 1.565 0.687 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.486 -0.696 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.526 -2.140 2.360 1.00 0.00 H new ATOM 0 HG LEU A 11 1.611 -1.850 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.830 -0.458 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.025 0.513 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.780 0.231 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.747 -2.738 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.642 -2.092 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.466 -3.408 0.664 1.00 0.00 H new ATOM 130 N LYS A 12 -0.385 -0.115 0.600 1.00 0.00 N ATOM 131 CA LYS A 12 -1.477 -0.616 -0.225 1.00 0.00 C ATOM 132 C LYS A 12 -0.914 -0.903 -1.603 1.00 0.00 C ATOM 133 O LYS A 12 0.046 -0.264 -2.045 1.00 0.00 O ATOM 134 CB LYS A 12 -2.655 0.372 -0.264 1.00 0.00 C ATOM 135 CG LYS A 12 -3.398 0.413 1.083 1.00 0.00 C ATOM 136 CD LYS A 12 -4.913 0.515 0.914 1.00 0.00 C ATOM 137 CE LYS A 12 -5.703 0.758 2.207 1.00 0.00 C ATOM 138 NZ LYS A 12 -5.684 2.143 2.706 1.00 0.00 N ATOM 0 H LYS A 12 0.071 0.711 0.213 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.885 -1.533 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.288 1.369 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.348 0.084 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.159 -0.485 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.043 1.264 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.130 1.325 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.274 -0.406 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.739 0.464 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.306 0.104 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.374 2.244 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.733 2.371 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.931 2.794 1.933 1.00 0.00 H new ATOM 152 N ALA A 13 -1.504 -1.876 -2.284 1.00 0.00 N ATOM 153 CA ALA A 13 -1.188 -2.217 -3.652 1.00 0.00 C ATOM 154 C ALA A 13 -2.518 -2.431 -4.356 1.00 0.00 C ATOM 155 O ALA A 13 -3.402 -3.112 -3.839 1.00 0.00 O ATOM 156 CB ALA A 13 -0.267 -3.438 -3.723 1.00 0.00 C ATOM 0 H ALA A 13 -2.236 -2.463 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.631 -1.422 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.048 -3.669 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.663 -3.224 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.759 -4.292 -3.258 1.00 0.00 H new ATOM 162 N GLN A 14 -2.679 -1.807 -5.518 1.00 0.00 N ATOM 163 CA GLN A 14 -3.860 -1.985 -6.331 1.00 0.00 C ATOM 164 C GLN A 14 -3.650 -3.241 -7.181 1.00 0.00 C ATOM 165 O GLN A 14 -2.600 -3.395 -7.813 1.00 0.00 O ATOM 166 CB GLN A 14 -4.066 -0.738 -7.194 1.00 0.00 C ATOM 167 CG GLN A 14 -5.446 -0.790 -7.860 1.00 0.00 C ATOM 168 CD GLN A 14 -5.589 0.275 -8.928 1.00 0.00 C ATOM 169 OE1 GLN A 14 -4.882 0.229 -9.932 1.00 0.00 O ATOM 170 NE2 GLN A 14 -6.460 1.247 -8.758 1.00 0.00 N ATOM 0 H GLN A 14 -1.992 -1.167 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.756 -2.114 -5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.982 0.159 -6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.287 -0.678 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.600 -1.774 -8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.221 -0.656 -7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.040 1.271 -7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.555 1.976 -9.465 1.00 0.00 H new ATOM 179 N ALA A 15 -4.626 -4.142 -7.205 1.00 0.00 N ATOM 180 CA ALA A 15 -4.618 -5.305 -8.072 1.00 0.00 C ATOM 181 C ALA A 15 -4.724 -4.912 -9.546 1.00 0.00 C ATOM 182 O ALA A 15 -5.422 -3.964 -9.921 1.00 0.00 O ATOM 183 CB ALA A 15 -5.734 -6.257 -7.643 1.00 0.00 C ATOM 0 H ALA A 15 -5.454 -4.080 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.664 -5.822 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.734 -7.134 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.570 -6.568 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.695 -5.749 -7.720 1.00 0.00 H new ATOM 189 N LEU A 16 -4.021 -5.668 -10.391 1.00 0.00 N ATOM 190 CA LEU A 16 -3.948 -5.485 -11.840 1.00 0.00 C ATOM 191 C LEU A 16 -4.849 -6.470 -12.584 1.00 0.00 C ATOM 192 O LEU A 16 -5.132 -6.253 -13.763 1.00 0.00 O ATOM 193 CB LEU A 16 -2.510 -5.710 -12.340 1.00 0.00 C ATOM 194 CG LEU A 16 -1.430 -4.801 -11.738 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.060 -5.212 -12.274 1.00 0.00 C ATOM 196 CD2 LEU A 16 -1.678 -3.326 -12.034 1.00 0.00 C ATOM 0 H LEU A 16 -3.463 -6.459 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.276 -4.465 -12.040 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.236 -6.746 -12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.500 -5.582 -13.422 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.465 -4.923 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.707 -4.566 -11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.143 -6.247 -11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.050 -5.116 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.885 -2.727 -11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.687 -3.168 -13.112 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.639 -3.028 -11.616 1.00 0.00 H new ATOM 208 N CYS A 17 -5.291 -7.550 -11.937 1.00 0.00 N ATOM 209 CA CYS A 17 -6.127 -8.604 -12.501 1.00 0.00 C ATOM 210 C CYS A 17 -7.144 -9.015 -11.431 1.00 0.00 C ATOM 211 O CYS A 17 -7.006 -8.604 -10.278 1.00 0.00 O ATOM 212 CB CYS A 17 -5.233 -9.791 -12.917 1.00 0.00 C ATOM 213 SG CYS A 17 -5.885 -10.556 -14.427 1.00 0.00 S ATOM 0 H CYS A 17 -5.063 -7.719 -10.957 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.659 -8.261 -13.388 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.212 -9.447 -13.085 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.194 -10.527 -12.114 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.125 -11.553 -14.771 1.00 0.00 H new ATOM 219 N SER A 18 -8.134 -9.831 -11.784 1.00 0.00 N ATOM 220 CA SER A 18 -8.932 -10.562 -10.808 1.00 0.00 C ATOM 221 C SER A 18 -8.146 -11.802 -10.357 1.00 0.00 C ATOM 222 O SER A 18 -7.242 -12.249 -11.074 1.00 0.00 O ATOM 223 CB SER A 18 -10.287 -10.921 -11.443 1.00 0.00 C ATOM 224 OG SER A 18 -10.169 -11.263 -12.819 1.00 0.00 O ATOM 0 H SER A 18 -8.404 -10.003 -12.753 1.00 0.00 H new ATOM 0 HA SER A 18 -9.133 -9.957 -9.923 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.729 -11.757 -10.901 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.969 -10.077 -11.339 1.00 0.00 H new ATOM 0 HG SER A 18 -11.054 -11.485 -13.178 1.00 0.00 H new ATOM 230 N TRP A 19 -8.474 -12.395 -9.204 1.00 0.00 N ATOM 231 CA TRP A 19 -7.981 -13.711 -8.820 1.00 0.00 C ATOM 232 C TRP A 19 -8.902 -14.404 -7.821 1.00 0.00 C ATOM 233 O TRP A 19 -9.398 -13.784 -6.882 1.00 0.00 O ATOM 234 CB TRP A 19 -6.562 -13.622 -8.250 1.00 0.00 C ATOM 235 CG TRP A 19 -5.799 -14.911 -8.230 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.839 -15.896 -9.160 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.886 -15.376 -7.200 1.00 0.00 C ATOM 238 NE1 TRP A 19 -5.053 -16.952 -8.748 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.437 -16.681 -7.546 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.410 -14.833 -5.993 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -3.558 -17.405 -6.730 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.538 -15.547 -5.162 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.087 -16.817 -5.548 1.00 0.00 C ATOM 0 H TRP A 19 -9.091 -11.970 -8.512 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.962 -14.314 -9.728 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.998 -12.894 -8.834 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.620 -13.237 -7.232 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.400 -15.860 -10.082 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.942 -17.823 -9.267 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.724 -13.842 -5.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.248 -18.402 -7.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.213 -15.120 -4.225 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.374 -17.345 -4.932 1.00 0.00 H new ATOM 254 N THR A 20 -9.028 -15.722 -7.985 1.00 0.00 N ATOM 255 CA THR A 20 -9.977 -16.614 -7.326 1.00 0.00 C ATOM 256 C THR A 20 -9.343 -17.395 -6.174 1.00 0.00 C ATOM 257 O THR A 20 -9.719 -18.528 -5.887 1.00 0.00 O ATOM 258 CB THR A 20 -10.589 -17.531 -8.398 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.657 -17.944 -9.395 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.670 -16.773 -9.134 1.00 0.00 C ATOM 0 H THR A 20 -8.423 -16.229 -8.631 1.00 0.00 H new ATOM 0 HA THR A 20 -10.767 -16.027 -6.858 1.00 0.00 H new ATOM 0 HB THR A 20 -10.955 -18.410 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.107 -18.524 -10.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.110 -17.416 -9.897 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.442 -16.465 -8.429 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.238 -15.891 -9.607 1.00 0.00 H new ATOM 268 N ALA A 21 -8.362 -16.780 -5.520 1.00 0.00 N ATOM 269 CA ALA A 21 -7.552 -17.350 -4.447 1.00 0.00 C ATOM 270 C ALA A 21 -7.004 -18.736 -4.796 1.00 0.00 C ATOM 271 O ALA A 21 -6.009 -18.799 -5.515 1.00 0.00 O ATOM 272 CB ALA A 21 -8.331 -17.321 -3.123 1.00 0.00 C ATOM 0 H ALA A 21 -8.096 -15.819 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.667 -16.726 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.717 -17.749 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.583 -16.291 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.247 -17.903 -3.227 1.00 0.00 H new ATOM 278 N LYS A 22 -7.582 -19.826 -4.267 1.00 0.00 N ATOM 279 CA LYS A 22 -7.352 -21.256 -4.536 1.00 0.00 C ATOM 280 C LYS A 22 -6.782 -21.984 -3.322 1.00 0.00 C ATOM 281 O LYS A 22 -7.431 -22.927 -2.868 1.00 0.00 O ATOM 282 CB LYS A 22 -6.601 -21.573 -5.847 1.00 0.00 C ATOM 283 CG LYS A 22 -7.483 -21.202 -7.056 1.00 0.00 C ATOM 284 CD LYS A 22 -6.692 -21.022 -8.351 1.00 0.00 C ATOM 285 CE LYS A 22 -7.613 -20.604 -9.509 1.00 0.00 C ATOM 286 NZ LYS A 22 -8.589 -21.643 -9.899 1.00 0.00 N ATOM 0 H LYS A 22 -8.306 -19.714 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.346 -21.663 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.664 -21.017 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.345 -22.632 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.233 -21.980 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.020 -20.279 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.919 -20.267 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.185 -21.953 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.152 -19.701 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.001 -20.350 -10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.117 -21.326 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.086 -22.526 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.251 -21.809 -9.115 1.00 0.00 H new ATOM 300 N LYS A 23 -5.600 -21.629 -2.798 1.00 0.00 N ATOM 301 CA LYS A 23 -5.116 -22.231 -1.544 1.00 0.00 C ATOM 302 C LYS A 23 -5.975 -21.708 -0.395 1.00 0.00 C ATOM 303 O LYS A 23 -6.637 -20.678 -0.542 1.00 0.00 O ATOM 304 CB LYS A 23 -3.646 -21.885 -1.248 1.00 0.00 C ATOM 305 CG LYS A 23 -2.599 -22.444 -2.221 1.00 0.00 C ATOM 306 CD LYS A 23 -2.188 -23.892 -1.951 1.00 0.00 C ATOM 307 CE LYS A 23 -1.085 -24.286 -2.942 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.386 -25.517 -2.530 1.00 0.00 N ATOM 0 H LYS A 23 -4.971 -20.941 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.187 -23.314 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.549 -20.800 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.407 -22.244 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.991 -22.375 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.710 -21.814 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.831 -23.998 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.047 -24.554 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.521 -24.430 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.366 -23.472 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.351 -25.748 -3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.052 -25.372 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.067 -26.301 -2.474 1.00 0.00 H new ATOM 322 N ASP A 24 -5.877 -22.360 0.765 1.00 0.00 N ATOM 323 CA ASP A 24 -6.565 -21.964 1.996 1.00 0.00 C ATOM 324 C ASP A 24 -6.327 -20.478 2.289 1.00 0.00 C ATOM 325 O ASP A 24 -7.300 -19.729 2.378 1.00 0.00 O ATOM 326 CB ASP A 24 -6.177 -22.892 3.167 1.00 0.00 C ATOM 327 CG ASP A 24 -5.868 -22.139 4.464 1.00 0.00 C ATOM 328 OD1 ASP A 24 -6.781 -21.833 5.259 1.00 0.00 O ATOM 329 OD2 ASP A 24 -4.671 -21.865 4.701 1.00 0.00 O ATOM 0 H ASP A 24 -5.304 -23.197 0.878 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.640 -22.084 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.990 -23.595 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.305 -23.480 2.881 1.00 0.00 H new ATOM 334 N ASN A 25 -5.061 -20.042 2.351 1.00 0.00 N ATOM 335 CA ASN A 25 -4.683 -18.686 2.765 1.00 0.00 C ATOM 336 C ASN A 25 -4.302 -17.788 1.584 1.00 0.00 C ATOM 337 O ASN A 25 -3.498 -16.874 1.754 1.00 0.00 O ATOM 338 CB ASN A 25 -3.590 -18.704 3.871 1.00 0.00 C ATOM 339 CG ASN A 25 -4.024 -17.932 5.120 1.00 0.00 C ATOM 340 OD1 ASN A 25 -5.207 -17.890 5.473 1.00 0.00 O ATOM 341 ND2 ASN A 25 -3.101 -17.329 5.852 1.00 0.00 N ATOM 0 H ASN A 25 -4.262 -20.629 2.112 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.574 -18.237 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.366 -19.736 4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.670 -18.271 3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.368 -16.833 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.122 -17.360 5.566 1.00 0.00 H new ATOM 348 N HIS A 26 -4.796 -18.052 0.368 1.00 0.00 N ATOM 349 CA HIS A 26 -4.681 -17.068 -0.710 1.00 0.00 C ATOM 350 C HIS A 26 -5.745 -15.973 -0.516 1.00 0.00 C ATOM 351 O HIS A 26 -6.893 -16.268 -0.166 1.00 0.00 O ATOM 352 CB HIS A 26 -4.869 -17.718 -2.088 1.00 0.00 C ATOM 353 CG HIS A 26 -3.736 -18.531 -2.671 1.00 0.00 C ATOM 354 ND1 HIS A 26 -3.841 -19.269 -3.829 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.436 -18.618 -2.243 1.00 0.00 C ATOM 356 CE1 HIS A 26 -2.649 -19.822 -4.084 1.00 0.00 C ATOM 357 NE2 HIS A 26 -1.756 -19.451 -3.147 1.00 0.00 N ATOM 0 H HIS A 26 -5.268 -18.919 0.111 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.680 -16.637 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.744 -18.365 -2.031 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.105 -16.925 -2.797 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.683 -19.376 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.014 -18.136 -1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.435 -20.471 -4.920 1.00 0.00 H new ATOM 365 N LEU A 27 -5.379 -14.721 -0.807 1.00 0.00 N ATOM 366 CA LEU A 27 -6.292 -13.594 -1.008 1.00 0.00 C ATOM 367 C LEU A 27 -7.038 -13.822 -2.334 1.00 0.00 C ATOM 368 O LEU A 27 -6.561 -14.565 -3.192 1.00 0.00 O ATOM 369 CB LEU A 27 -5.460 -12.285 -1.019 1.00 0.00 C ATOM 370 CG LEU A 27 -6.130 -10.937 -0.659 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.956 -10.382 -1.807 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.955 -11.006 0.635 1.00 0.00 C ATOM 0 H LEU A 27 -4.400 -14.455 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.029 -13.513 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.626 -12.426 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.036 -12.179 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.311 -10.241 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.406 -9.436 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.313 -10.220 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.742 -11.092 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.400 -10.031 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.744 -11.749 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.307 -11.286 1.465 1.00 0.00 H new ATOM 384 N ASN A 28 -8.191 -13.180 -2.516 1.00 0.00 N ATOM 385 CA ASN A 28 -8.976 -13.135 -3.753 1.00 0.00 C ATOM 386 C ASN A 28 -9.401 -11.689 -3.944 1.00 0.00 C ATOM 387 O ASN A 28 -9.808 -11.054 -2.979 1.00 0.00 O ATOM 388 CB ASN A 28 -10.234 -14.021 -3.690 1.00 0.00 C ATOM 389 CG ASN A 28 -11.143 -13.742 -2.493 1.00 0.00 C ATOM 390 OD1 ASN A 28 -12.219 -13.178 -2.630 1.00 0.00 O ATOM 391 ND2 ASN A 28 -10.766 -14.185 -1.303 1.00 0.00 N ATOM 0 H ASN A 28 -8.628 -12.647 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.368 -13.510 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.808 -13.882 -4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.926 -15.066 -3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.375 -14.056 -0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.867 -14.655 -1.195 1.00 0.00 H new ATOM 398 N PHE A 29 -9.254 -11.155 -5.153 1.00 0.00 N ATOM 399 CA PHE A 29 -9.623 -9.783 -5.490 1.00 0.00 C ATOM 400 C PHE A 29 -10.157 -9.746 -6.909 1.00 0.00 C ATOM 401 O PHE A 29 -10.100 -10.734 -7.643 1.00 0.00 O ATOM 402 CB PHE A 29 -8.443 -8.798 -5.307 1.00 0.00 C ATOM 403 CG PHE A 29 -7.062 -9.188 -5.833 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.869 -9.564 -7.177 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.937 -9.139 -4.981 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.591 -9.912 -7.650 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.655 -9.466 -5.455 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.482 -9.862 -6.790 1.00 0.00 C ATOM 0 H PHE A 29 -8.867 -11.674 -5.942 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.402 -9.455 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.723 -7.858 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.344 -8.598 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.712 -9.585 -7.852 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.064 -8.846 -3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.462 -10.219 -8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.804 -9.413 -4.792 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.501 -10.127 -7.154 1.00 0.00 H new ATOM 418 N SER A 30 -10.636 -8.586 -7.312 1.00 0.00 N ATOM 419 CA SER A 30 -10.950 -8.225 -8.667 1.00 0.00 C ATOM 420 C SER A 30 -9.959 -7.164 -9.174 1.00 0.00 C ATOM 421 O SER A 30 -9.200 -6.550 -8.419 1.00 0.00 O ATOM 422 CB SER A 30 -12.392 -7.739 -8.684 1.00 0.00 C ATOM 423 OG SER A 30 -13.275 -8.801 -9.009 1.00 0.00 O ATOM 0 H SER A 30 -10.826 -7.828 -6.656 1.00 0.00 H new ATOM 0 HA SER A 30 -10.855 -9.075 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.654 -7.327 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.501 -6.933 -9.410 1.00 0.00 H new ATOM 0 HG SER A 30 -14.197 -8.470 -9.013 1.00 0.00 H new ATOM 429 N LYS A 31 -9.976 -6.931 -10.490 1.00 0.00 N ATOM 430 CA LYS A 31 -9.198 -5.884 -11.148 1.00 0.00 C ATOM 431 C LYS A 31 -9.478 -4.545 -10.483 1.00 0.00 C ATOM 432 O LYS A 31 -10.635 -4.191 -10.263 1.00 0.00 O ATOM 433 CB LYS A 31 -9.542 -5.890 -12.639 1.00 0.00 C ATOM 434 CG LYS A 31 -8.411 -5.208 -13.398 1.00 0.00 C ATOM 435 CD LYS A 31 -8.685 -5.087 -14.896 1.00 0.00 C ATOM 436 CE LYS A 31 -7.546 -4.233 -15.451 1.00 0.00 C ATOM 437 NZ LYS A 31 -7.882 -3.576 -16.732 1.00 0.00 N ATOM 0 H LYS A 31 -10.543 -7.477 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.128 -6.066 -11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.674 -6.912 -12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.483 -5.369 -12.813 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.250 -4.213 -12.982 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.489 -5.770 -13.247 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.708 -6.068 -15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.652 -4.620 -15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.281 -3.471 -14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.666 -4.860 -15.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.070 -3.012 -17.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.108 -4.299 -17.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.704 -2.954 -16.598 1.00 0.00 H new ATOM 451 N HIS A 32 -8.405 -3.807 -10.206 1.00 0.00 N ATOM 452 CA HIS A 32 -8.381 -2.467 -9.655 1.00 0.00 C ATOM 453 C HIS A 32 -8.738 -2.405 -8.172 1.00 0.00 C ATOM 454 O HIS A 32 -8.762 -1.298 -7.627 1.00 0.00 O ATOM 455 CB HIS A 32 -9.223 -1.483 -10.477 1.00 0.00 C ATOM 456 CG HIS A 32 -8.971 -1.560 -11.954 1.00 0.00 C ATOM 457 ND1 HIS A 32 -9.858 -1.995 -12.907 1.00 0.00 N ATOM 458 CD2 HIS A 32 -7.815 -1.206 -12.586 1.00 0.00 C ATOM 459 CE1 HIS A 32 -9.260 -1.855 -14.097 1.00 0.00 C ATOM 460 NE2 HIS A 32 -8.014 -1.384 -13.955 1.00 0.00 N ATOM 0 H HIS A 32 -7.464 -4.162 -10.376 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.340 -2.151 -9.727 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.279 -1.676 -10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.017 -0.469 -10.135 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.911 -0.852 -12.113 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.721 -2.090 -15.045 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.344 -1.193 -14.700 1.00 0.00 H new ATOM 468 N ASP A 33 -8.987 -3.539 -7.511 1.00 0.00 N ATOM 469 CA ASP A 33 -9.226 -3.557 -6.071 1.00 0.00 C ATOM 470 C ASP A 33 -7.992 -3.012 -5.365 1.00 0.00 C ATOM 471 O ASP A 33 -6.864 -3.199 -5.824 1.00 0.00 O ATOM 472 CB ASP A 33 -9.479 -4.976 -5.553 1.00 0.00 C ATOM 473 CG ASP A 33 -10.873 -5.529 -5.834 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.719 -4.875 -6.493 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.143 -6.660 -5.386 1.00 0.00 O ATOM 0 H ASP A 33 -9.028 -4.457 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.109 -2.950 -5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.743 -5.645 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.310 -4.988 -4.476 1.00 0.00 H new ATOM 480 N ILE A 34 -8.191 -2.359 -4.227 1.00 0.00 N ATOM 481 CA ILE A 34 -7.130 -1.805 -3.404 1.00 0.00 C ATOM 482 C ILE A 34 -6.996 -2.705 -2.193 1.00 0.00 C ATOM 483 O ILE A 34 -7.940 -2.827 -1.404 1.00 0.00 O ATOM 484 CB ILE A 34 -7.470 -0.346 -3.033 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.461 0.575 -4.273 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.559 0.173 -1.905 1.00 0.00 C ATOM 487 CD1 ILE A 34 -6.072 1.072 -4.663 1.00 0.00 C ATOM 0 H ILE A 34 -9.122 -2.197 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.175 -1.772 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.489 -0.331 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.894 0.037 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.103 1.435 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.825 1.203 -1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.688 -0.448 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.519 0.132 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.148 1.712 -5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.643 1.639 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.431 0.220 -4.889 1.00 0.00 H new ATOM 499 N ILE A 35 -5.833 -3.332 -2.046 1.00 0.00 N ATOM 500 CA ILE A 35 -5.579 -4.292 -0.993 1.00 0.00 C ATOM 501 C ILE A 35 -4.493 -3.688 -0.123 1.00 0.00 C ATOM 502 O ILE A 35 -3.493 -3.163 -0.621 1.00 0.00 O ATOM 503 CB ILE A 35 -5.209 -5.660 -1.604 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.200 -6.091 -2.703 1.00 0.00 C ATOM 505 CG2 ILE A 35 -5.017 -6.771 -0.556 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.620 -5.965 -4.104 1.00 0.00 C ATOM 0 H ILE A 35 -5.036 -3.182 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.455 -4.489 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.235 -5.512 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.499 -7.125 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.101 -5.482 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.759 -7.704 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.215 -6.492 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.941 -6.905 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.363 -6.283 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.346 -4.927 -4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.735 -6.595 -4.189 1.00 0.00 H new ATOM 518 N THR A 36 -4.714 -3.756 1.179 1.00 0.00 N ATOM 519 CA THR A 36 -3.739 -3.413 2.181 1.00 0.00 C ATOM 520 C THR A 36 -2.669 -4.481 2.161 1.00 0.00 C ATOM 521 O THR A 36 -2.953 -5.631 2.458 1.00 0.00 O ATOM 522 CB THR A 36 -4.476 -3.263 3.515 1.00 0.00 C ATOM 523 OG1 THR A 36 -4.960 -1.944 3.522 1.00 0.00 O ATOM 524 CG2 THR A 36 -3.584 -3.380 4.728 1.00 0.00 C ATOM 0 H THR A 36 -5.605 -4.061 1.572 1.00 0.00 H new ATOM 0 HA THR A 36 -3.234 -2.464 2.000 1.00 0.00 H new ATOM 0 HB THR A 36 -5.227 -4.051 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.759 -1.886 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.182 -3.262 5.632 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.105 -4.359 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.820 -2.603 4.694 1.00 0.00 H new ATOM 532 N VAL A 37 -1.460 -4.121 1.753 1.00 0.00 N ATOM 533 CA VAL A 37 -0.299 -4.973 1.899 1.00 0.00 C ATOM 534 C VAL A 37 0.081 -4.956 3.375 1.00 0.00 C ATOM 535 O VAL A 37 -0.088 -3.938 4.046 1.00 0.00 O ATOM 536 CB VAL A 37 0.839 -4.434 1.026 1.00 0.00 C ATOM 537 CG1 VAL A 37 2.068 -5.355 1.113 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.416 -4.367 -0.452 1.00 0.00 C ATOM 0 H VAL A 37 -1.261 -3.224 1.310 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.503 -5.995 1.579 1.00 0.00 H new ATOM 0 HB VAL A 37 1.079 -3.436 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.866 -4.957 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.410 -5.409 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.800 -6.353 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.242 -3.981 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.151 -5.365 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.445 -3.707 -0.554 1.00 0.00 H new ATOM 548 N LEU A 38 0.593 -6.075 3.879 1.00 0.00 N ATOM 549 CA LEU A 38 0.909 -6.242 5.286 1.00 0.00 C ATOM 550 C LEU A 38 2.275 -6.899 5.386 1.00 0.00 C ATOM 551 O LEU A 38 3.262 -6.225 5.685 1.00 0.00 O ATOM 552 CB LEU A 38 -0.189 -7.077 5.960 1.00 0.00 C ATOM 553 CG LEU A 38 -1.567 -6.395 5.974 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.608 -7.450 6.337 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.627 -5.178 6.915 1.00 0.00 C ATOM 0 H LEU A 38 0.801 -6.897 3.313 1.00 0.00 H new ATOM 0 HA LEU A 38 0.946 -5.283 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.273 -8.034 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.110 -7.293 6.986 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.773 -5.989 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.598 -6.994 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.590 -8.249 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.381 -7.862 7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.625 -4.740 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.405 -5.495 7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.894 -4.436 6.598 1.00 0.00 H new ATOM 567 N GLU A 39 2.362 -8.181 5.043 1.00 0.00 N ATOM 568 CA GLU A 39 3.588 -8.964 5.124 1.00 0.00 C ATOM 569 C GLU A 39 4.085 -9.188 3.702 1.00 0.00 C ATOM 570 O GLU A 39 3.287 -9.180 2.764 1.00 0.00 O ATOM 571 CB GLU A 39 3.304 -10.292 5.835 1.00 0.00 C ATOM 572 CG GLU A 39 4.534 -10.806 6.579 1.00 0.00 C ATOM 573 CD GLU A 39 4.159 -11.961 7.509 1.00 0.00 C ATOM 574 OE1 GLU A 39 3.940 -13.097 7.039 1.00 0.00 O ATOM 575 OE2 GLU A 39 4.181 -11.756 8.743 1.00 0.00 O ATOM 0 H GLU A 39 1.565 -8.714 4.694 1.00 0.00 H new ATOM 0 HA GLU A 39 4.354 -8.443 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.482 -10.160 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.983 -11.035 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.286 -11.138 5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.980 -9.997 7.157 1.00 0.00 H new ATOM 582 N GLN A 40 5.392 -9.345 3.503 1.00 0.00 N ATOM 583 CA GLN A 40 5.947 -9.396 2.160 1.00 0.00 C ATOM 584 C GLN A 40 7.058 -10.442 2.111 1.00 0.00 C ATOM 585 O GLN A 40 8.184 -10.152 2.523 1.00 0.00 O ATOM 586 CB GLN A 40 6.413 -7.987 1.727 1.00 0.00 C ATOM 587 CG GLN A 40 5.297 -6.926 1.703 1.00 0.00 C ATOM 588 CD GLN A 40 5.809 -5.581 1.192 1.00 0.00 C ATOM 589 OE1 GLN A 40 6.324 -4.767 1.954 1.00 0.00 O ATOM 590 NE2 GLN A 40 5.699 -5.297 -0.099 1.00 0.00 N ATOM 0 H GLN A 40 6.079 -9.438 4.251 1.00 0.00 H new ATOM 0 HA GLN A 40 5.187 -9.703 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.199 -7.654 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.855 -8.054 0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.481 -7.270 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.890 -6.803 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.272 -5.971 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.042 -4.405 -0.456 1.00 0.00 H new ATOM 599 N GLN A 41 6.762 -11.623 1.561 1.00 0.00 N ATOM 600 CA GLN A 41 7.768 -12.551 1.058 1.00 0.00 C ATOM 601 C GLN A 41 8.408 -11.945 -0.192 1.00 0.00 C ATOM 602 O GLN A 41 8.007 -10.888 -0.688 1.00 0.00 O ATOM 603 CB GLN A 41 7.147 -13.925 0.701 1.00 0.00 C ATOM 604 CG GLN A 41 6.605 -14.693 1.907 1.00 0.00 C ATOM 605 CD GLN A 41 7.753 -15.229 2.769 1.00 0.00 C ATOM 606 OE1 GLN A 41 8.890 -15.368 2.318 1.00 0.00 O ATOM 607 NE2 GLN A 41 7.520 -15.490 4.036 1.00 0.00 N ATOM 0 H GLN A 41 5.806 -11.961 1.453 1.00 0.00 H new ATOM 0 HA GLN A 41 8.513 -12.713 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.338 -13.772 -0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.901 -14.535 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.969 -14.040 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.982 -15.520 1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.580 -15.377 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.279 -15.806 4.640 1.00 0.00 H new ATOM 616 N GLU A 42 9.386 -12.662 -0.730 1.00 0.00 N ATOM 617 CA GLU A 42 10.121 -12.384 -1.950 1.00 0.00 C ATOM 618 C GLU A 42 9.203 -11.904 -3.080 1.00 0.00 C ATOM 619 O GLU A 42 9.361 -10.793 -3.600 1.00 0.00 O ATOM 620 CB GLU A 42 10.925 -13.649 -2.286 1.00 0.00 C ATOM 621 CG GLU A 42 10.121 -14.927 -2.570 1.00 0.00 C ATOM 622 CD GLU A 42 10.987 -16.181 -2.672 1.00 0.00 C ATOM 623 OE1 GLU A 42 12.019 -16.301 -1.972 1.00 0.00 O ATOM 624 OE2 GLU A 42 10.593 -17.074 -3.456 1.00 0.00 O ATOM 0 H GLU A 42 9.709 -13.522 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 42 10.811 -11.551 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.544 -13.436 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.602 -13.851 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.385 -15.067 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.568 -14.800 -3.501 1.00 0.00 H new ATOM 631 N ASN A 43 8.207 -12.721 -3.425 1.00 0.00 N ATOM 632 CA ASN A 43 7.313 -12.512 -4.555 1.00 0.00 C ATOM 633 C ASN A 43 5.850 -12.672 -4.174 1.00 0.00 C ATOM 634 O ASN A 43 5.003 -12.413 -5.021 1.00 0.00 O ATOM 635 CB ASN A 43 7.689 -13.446 -5.722 1.00 0.00 C ATOM 636 CG ASN A 43 8.163 -12.630 -6.910 1.00 0.00 C ATOM 637 OD1 ASN A 43 7.385 -12.311 -7.809 1.00 0.00 O ATOM 638 ND2 ASN A 43 9.414 -12.198 -6.909 1.00 0.00 N ATOM 0 H ASN A 43 7.997 -13.573 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 43 7.439 -11.479 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.473 -14.135 -5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.828 -14.051 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.745 -11.592 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.047 -12.471 -6.157 1.00 0.00 H new ATOM 645 N TRP A 44 5.543 -13.046 -2.932 1.00 0.00 N ATOM 646 CA TRP A 44 4.177 -13.183 -2.438 1.00 0.00 C ATOM 647 C TRP A 44 3.978 -12.200 -1.304 1.00 0.00 C ATOM 648 O TRP A 44 4.854 -12.125 -0.454 1.00 0.00 O ATOM 649 CB TRP A 44 3.939 -14.615 -1.955 1.00 0.00 C ATOM 650 CG TRP A 44 3.799 -15.598 -3.070 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.792 -16.132 -3.818 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.562 -16.117 -3.622 1.00 0.00 C ATOM 653 NE1 TRP A 44 4.243 -16.918 -4.812 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.863 -16.920 -4.757 1.00 0.00 C ATOM 655 CE3 TRP A 44 1.209 -15.954 -3.278 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.851 -17.494 -5.546 1.00 0.00 C ATOM 657 CZ3 TRP A 44 0.188 -16.526 -4.049 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.506 -17.276 -5.196 1.00 0.00 C ATOM 0 H TRP A 44 6.250 -13.266 -2.231 1.00 0.00 H new ATOM 0 HA TRP A 44 3.464 -12.971 -3.235 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.768 -14.918 -1.315 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.038 -14.640 -1.343 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.848 -15.969 -3.662 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.789 -17.434 -5.502 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.951 -15.377 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.102 -18.094 -6.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.844 -16.391 -3.762 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.284 -17.685 -5.809 1.00 0.00 H new ATOM 669 N TRP A 45 2.870 -11.466 -1.237 1.00 0.00 N ATOM 670 CA TRP A 45 2.601 -10.503 -0.176 1.00 0.00 C ATOM 671 C TRP A 45 1.301 -10.906 0.493 1.00 0.00 C ATOM 672 O TRP A 45 0.363 -11.317 -0.186 1.00 0.00 O ATOM 673 CB TRP A 45 2.551 -9.074 -0.734 1.00 0.00 C ATOM 674 CG TRP A 45 3.809 -8.560 -1.380 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.035 -9.114 -1.273 1.00 0.00 C ATOM 676 CD2 TRP A 45 3.992 -7.389 -2.227 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.947 -8.422 -2.038 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.358 -7.338 -2.641 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.142 -6.371 -2.702 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.850 -6.348 -3.498 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.627 -5.362 -3.555 1.00 0.00 C ATOM 682 CH2 TRP A 45 4.980 -5.341 -3.950 1.00 0.00 C ATOM 0 H TRP A 45 2.123 -11.526 -1.929 1.00 0.00 H new ATOM 0 HA TRP A 45 3.402 -10.508 0.563 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.746 -9.022 -1.467 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.285 -8.399 0.080 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.268 -9.980 -0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.928 -8.680 -2.143 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.103 -6.365 -2.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.884 -6.357 -3.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.955 -4.595 -3.911 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.346 -4.556 -4.596 1.00 0.00 H new ATOM 693 N PHE A 46 1.265 -10.839 1.817 1.00 0.00 N ATOM 694 CA PHE A 46 0.062 -11.021 2.589 1.00 0.00 C ATOM 695 C PHE A 46 -0.646 -9.678 2.586 1.00 0.00 C ATOM 696 O PHE A 46 0.004 -8.636 2.735 1.00 0.00 O ATOM 697 CB PHE A 46 0.459 -11.417 4.011 1.00 0.00 C ATOM 698 CG PHE A 46 -0.632 -11.868 4.955 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.343 -13.056 4.694 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.830 -11.183 6.171 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.260 -13.548 5.642 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.733 -11.687 7.121 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.450 -12.869 6.859 1.00 0.00 C ATOM 0 H PHE A 46 2.090 -10.653 2.387 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.587 -11.797 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.192 -12.220 3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.963 -10.564 4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.185 -13.589 3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.287 -10.271 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.819 -14.449 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.878 -11.166 8.056 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.145 -13.254 7.591 1.00 0.00 H new ATOM 713 N GLY A 47 -1.963 -9.674 2.451 1.00 0.00 N ATOM 714 CA GLY A 47 -2.703 -8.439 2.503 1.00 0.00 C ATOM 715 C GLY A 47 -4.196 -8.650 2.631 1.00 0.00 C ATOM 716 O GLY A 47 -4.695 -9.774 2.563 1.00 0.00 O ATOM 0 H GLY A 47 -2.531 -10.509 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.352 -7.846 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.499 -7.861 1.601 1.00 0.00 H new ATOM 720 N GLU A 48 -4.904 -7.551 2.850 1.00 0.00 N ATOM 721 CA GLU A 48 -6.275 -7.512 3.296 1.00 0.00 C ATOM 722 C GLU A 48 -7.098 -6.620 2.380 1.00 0.00 C ATOM 723 O GLU A 48 -6.780 -5.453 2.155 1.00 0.00 O ATOM 724 CB GLU A 48 -6.313 -7.017 4.746 1.00 0.00 C ATOM 725 CG GLU A 48 -7.722 -7.115 5.327 1.00 0.00 C ATOM 726 CD GLU A 48 -7.852 -6.458 6.710 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.009 -6.679 7.610 1.00 0.00 O ATOM 728 OE2 GLU A 48 -8.801 -5.657 6.873 1.00 0.00 O ATOM 0 H GLU A 48 -4.511 -6.620 2.712 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.710 -8.511 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.625 -7.606 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.970 -5.983 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.425 -6.644 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.005 -8.165 5.402 1.00 0.00 H new ATOM 735 N VAL A 49 -8.171 -7.197 1.862 1.00 0.00 N ATOM 736 CA VAL A 49 -9.273 -6.523 1.210 1.00 0.00 C ATOM 737 C VAL A 49 -10.492 -7.383 1.514 1.00 0.00 C ATOM 738 O VAL A 49 -10.345 -8.605 1.633 1.00 0.00 O ATOM 739 CB VAL A 49 -8.919 -6.354 -0.287 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.796 -7.683 -1.027 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.809 -5.420 -1.104 1.00 0.00 C ATOM 0 H VAL A 49 -8.299 -8.209 1.889 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.481 -5.511 1.558 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.948 -5.864 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.546 -7.496 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.011 -8.284 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.743 -8.220 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.455 -5.389 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.836 -5.786 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.772 -4.417 -0.678 1.00 0.00 H new ATOM 751 N HIS A 50 -11.644 -6.736 1.708 1.00 0.00 N ATOM 752 CA HIS A 50 -12.939 -7.316 2.053 1.00 0.00 C ATOM 753 C HIS A 50 -12.811 -8.585 2.911 1.00 0.00 C ATOM 754 O HIS A 50 -13.244 -9.683 2.541 1.00 0.00 O ATOM 755 CB HIS A 50 -13.799 -7.455 0.789 1.00 0.00 C ATOM 756 CG HIS A 50 -13.144 -8.200 -0.346 1.00 0.00 C ATOM 757 ND1 HIS A 50 -12.747 -9.512 -0.322 1.00 0.00 N ATOM 758 CD2 HIS A 50 -12.930 -7.730 -1.612 1.00 0.00 C ATOM 759 CE1 HIS A 50 -12.311 -9.823 -1.553 1.00 0.00 C ATOM 760 NE2 HIS A 50 -12.441 -8.779 -2.385 1.00 0.00 N ATOM 0 H HIS A 50 -11.697 -5.721 1.621 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.477 -6.634 2.712 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.726 -7.965 1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.071 -6.459 0.441 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.777 -10.137 0.483 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.109 -6.721 -1.953 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.909 -10.785 -1.836 1.00 0.00 H new ATOM 768 N GLY A 51 -12.142 -8.426 4.053 1.00 0.00 N ATOM 769 CA GLY A 51 -12.104 -9.429 5.112 1.00 0.00 C ATOM 770 C GLY A 51 -11.037 -10.502 4.926 1.00 0.00 C ATOM 771 O GLY A 51 -10.927 -11.376 5.780 1.00 0.00 O ATOM 0 H GLY A 51 -11.605 -7.586 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.935 -8.927 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.080 -9.911 5.174 1.00 0.00 H new ATOM 775 N GLY A 52 -10.232 -10.440 3.862 1.00 0.00 N ATOM 776 CA GLY A 52 -9.249 -11.453 3.514 1.00 0.00 C ATOM 777 C GLY A 52 -8.174 -11.655 4.583 1.00 0.00 C ATOM 778 O GLY A 52 -8.295 -12.557 5.410 1.00 0.00 O ATOM 0 H GLY A 52 -10.252 -9.660 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.761 -12.400 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.769 -11.175 2.576 1.00 0.00 H new ATOM 782 N ARG A 53 -7.095 -10.863 4.548 1.00 0.00 N ATOM 783 CA ARG A 53 -5.790 -11.220 5.124 1.00 0.00 C ATOM 784 C ARG A 53 -5.350 -12.578 4.566 1.00 0.00 C ATOM 785 O ARG A 53 -5.563 -13.615 5.187 1.00 0.00 O ATOM 786 CB ARG A 53 -5.740 -11.103 6.669 1.00 0.00 C ATOM 787 CG ARG A 53 -5.382 -9.684 7.139 1.00 0.00 C ATOM 788 CD ARG A 53 -4.591 -9.605 8.451 1.00 0.00 C ATOM 789 NE ARG A 53 -5.402 -9.713 9.670 1.00 0.00 N ATOM 790 CZ ARG A 53 -4.883 -9.858 10.898 1.00 0.00 C ATOM 791 NH1 ARG A 53 -3.585 -10.056 11.078 1.00 0.00 N ATOM 792 NH2 ARG A 53 -5.682 -9.799 11.951 1.00 0.00 N ATOM 0 H ARG A 53 -7.103 -9.941 4.112 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.051 -10.482 4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.707 -11.387 7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.007 -11.808 7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.803 -9.195 6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.304 -9.115 7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.845 -10.400 8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.049 -8.659 8.475 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.417 -9.676 9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.960 -10.101 10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.211 -10.164 12.021 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.682 -9.645 11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.298 -9.908 12.890 1.00 0.00 H new ATOM 806 N GLY A 54 -4.767 -12.565 3.367 1.00 0.00 N ATOM 807 CA GLY A 54 -4.295 -13.739 2.645 1.00 0.00 C ATOM 808 C GLY A 54 -3.114 -13.378 1.751 1.00 0.00 C ATOM 809 O GLY A 54 -2.863 -12.199 1.502 1.00 0.00 O ATOM 0 H GLY A 54 -4.606 -11.698 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.999 -14.514 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.103 -14.151 2.041 1.00 0.00 H new ATOM 813 N TRP A 55 -2.388 -14.382 1.260 1.00 0.00 N ATOM 814 CA TRP A 55 -1.222 -14.231 0.398 1.00 0.00 C ATOM 815 C TRP A 55 -1.635 -14.020 -1.044 1.00 0.00 C ATOM 816 O TRP A 55 -2.627 -14.592 -1.497 1.00 0.00 O ATOM 817 CB TRP A 55 -0.339 -15.479 0.496 1.00 0.00 C ATOM 818 CG TRP A 55 0.366 -15.555 1.799 1.00 0.00 C ATOM 819 CD1 TRP A 55 -0.023 -16.262 2.885 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.540 -14.790 2.191 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.825 -15.952 3.929 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.811 -15.062 3.560 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.390 -13.866 1.545 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.867 -14.444 4.244 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.388 -13.199 2.238 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.655 -13.486 3.586 1.00 0.00 C ATOM 0 H TRP A 55 -2.606 -15.358 1.461 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.665 -13.356 0.731 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.953 -16.370 0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.392 -15.471 -0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.854 -16.950 2.928 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.732 -16.338 4.868 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.260 -13.675 0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.073 -14.703 5.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.971 -12.444 1.731 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.453 -12.979 4.108 1.00 0.00 H new ATOM 837 N PHE A 56 -0.823 -13.286 -1.801 1.00 0.00 N ATOM 838 CA PHE A 56 -1.038 -13.172 -3.243 1.00 0.00 C ATOM 839 C PHE A 56 0.287 -12.933 -3.957 1.00 0.00 C ATOM 840 O PHE A 56 1.203 -12.373 -3.350 1.00 0.00 O ATOM 841 CB PHE A 56 -2.071 -12.077 -3.552 1.00 0.00 C ATOM 842 CG PHE A 56 -1.742 -10.718 -2.976 1.00 0.00 C ATOM 843 CD1 PHE A 56 -0.827 -9.870 -3.626 1.00 0.00 C ATOM 844 CD2 PHE A 56 -2.335 -10.313 -1.769 1.00 0.00 C ATOM 845 CE1 PHE A 56 -0.509 -8.622 -3.064 1.00 0.00 C ATOM 846 CE2 PHE A 56 -2.045 -9.051 -1.230 1.00 0.00 C ATOM 847 CZ PHE A 56 -1.131 -8.203 -1.875 1.00 0.00 C ATOM 0 H PHE A 56 -0.020 -12.767 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.446 -14.110 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.169 -11.984 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.041 -12.394 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.370 -10.177 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.016 -10.975 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.215 -7.983 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.526 -8.731 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.906 -7.232 -1.459 1.00 0.00 H new ATOM 857 N PRO A 57 0.425 -13.345 -5.228 1.00 0.00 N ATOM 858 CA PRO A 57 1.637 -13.094 -5.983 1.00 0.00 C ATOM 859 C PRO A 57 1.711 -11.606 -6.290 1.00 0.00 C ATOM 860 O PRO A 57 0.799 -11.050 -6.909 1.00 0.00 O ATOM 861 CB PRO A 57 1.538 -13.927 -7.255 1.00 0.00 C ATOM 862 CG PRO A 57 0.105 -14.444 -7.320 1.00 0.00 C ATOM 863 CD PRO A 57 -0.596 -13.958 -6.065 1.00 0.00 C ATOM 0 HA PRO A 57 2.540 -13.368 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.774 -13.325 -8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.249 -14.753 -7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.399 -14.073 -8.212 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.089 -15.533 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.377 -13.239 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.077 -14.786 -5.545 1.00 0.00 H new ATOM 871 N LYS A 58 2.790 -10.943 -5.879 1.00 0.00 N ATOM 872 CA LYS A 58 2.911 -9.507 -6.058 1.00 0.00 C ATOM 873 C LYS A 58 2.856 -9.128 -7.538 1.00 0.00 C ATOM 874 O LYS A 58 2.537 -7.976 -7.826 1.00 0.00 O ATOM 875 CB LYS A 58 4.167 -8.942 -5.364 1.00 0.00 C ATOM 876 CG LYS A 58 5.355 -8.841 -6.329 1.00 0.00 C ATOM 877 CD LYS A 58 6.699 -8.471 -5.690 1.00 0.00 C ATOM 878 CE LYS A 58 7.799 -8.986 -6.601 1.00 0.00 C ATOM 879 NZ LYS A 58 9.105 -9.203 -5.934 1.00 0.00 N ATOM 0 H LYS A 58 3.589 -11.381 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 58 2.053 -9.045 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.945 -7.956 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.436 -9.581 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.467 -9.797 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.119 -8.098 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.779 -7.391 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.786 -8.913 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.473 -9.926 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.937 -8.278 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.761 -9.664 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.499 -8.288 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.972 -9.810 -5.100 1.00 0.00 H new ATOM 893 N SER A 59 3.187 -10.021 -8.484 1.00 0.00 N ATOM 894 CA SER A 59 3.221 -9.616 -9.880 1.00 0.00 C ATOM 895 C SER A 59 1.795 -9.271 -10.366 1.00 0.00 C ATOM 896 O SER A 59 1.620 -8.579 -11.373 1.00 0.00 O ATOM 897 CB SER A 59 3.877 -10.712 -10.730 1.00 0.00 C ATOM 898 OG SER A 59 4.546 -10.135 -11.831 1.00 0.00 O ATOM 0 H SER A 59 3.427 -10.997 -8.307 1.00 0.00 H new ATOM 0 HA SER A 59 3.827 -8.716 -9.987 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.582 -11.281 -10.123 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.120 -11.413 -11.081 1.00 0.00 H new ATOM 0 HG SER A 59 4.963 -10.841 -12.367 1.00 0.00 H new ATOM 904 N TYR A 60 0.761 -9.722 -9.642 1.00 0.00 N ATOM 905 CA TYR A 60 -0.644 -9.527 -9.974 1.00 0.00 C ATOM 906 C TYR A 60 -1.150 -8.164 -9.479 1.00 0.00 C ATOM 907 O TYR A 60 -2.304 -7.820 -9.732 1.00 0.00 O ATOM 908 CB TYR A 60 -1.480 -10.671 -9.366 1.00 0.00 C ATOM 909 CG TYR A 60 -1.326 -12.057 -9.989 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.088 -12.531 -10.477 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.451 -12.903 -10.064 1.00 0.00 C ATOM 912 CE1 TYR A 60 0.030 -13.799 -11.052 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.352 -14.171 -10.664 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.111 -14.621 -11.177 1.00 0.00 C ATOM 915 OH TYR A 60 -1.004 -15.865 -11.724 1.00 0.00 O ATOM 0 H TYR A 60 0.892 -10.251 -8.780 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.751 -9.540 -11.059 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.229 -10.747 -8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.531 -10.389 -9.425 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.786 -11.900 -10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.396 -12.575 -9.658 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.991 -14.149 -11.400 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.225 -14.803 -10.734 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.884 -16.295 -11.733 1.00 0.00 H new ATOM 925 N VAL A 61 -0.320 -7.379 -8.788 1.00 0.00 N ATOM 926 CA VAL A 61 -0.682 -6.094 -8.204 1.00 0.00 C ATOM 927 C VAL A 61 0.360 -5.041 -8.606 1.00 0.00 C ATOM 928 O VAL A 61 1.330 -5.349 -9.311 1.00 0.00 O ATOM 929 CB VAL A 61 -0.865 -6.234 -6.672 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.767 -7.414 -6.270 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.472 -6.380 -5.915 1.00 0.00 C ATOM 0 H VAL A 61 0.653 -7.632 -8.616 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.643 -5.754 -8.591 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.347 -5.300 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.852 -7.453 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.757 -7.281 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.332 -8.345 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.277 -6.474 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.995 -7.269 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.090 -5.500 -6.095 1.00 0.00 H new ATOM 941 N LYS A 62 0.206 -3.800 -8.140 1.00 0.00 N ATOM 942 CA LYS A 62 1.293 -2.830 -8.075 1.00 0.00 C ATOM 943 C LYS A 62 1.191 -2.026 -6.787 1.00 0.00 C ATOM 944 O LYS A 62 0.082 -1.693 -6.369 1.00 0.00 O ATOM 945 CB LYS A 62 1.302 -1.922 -9.312 1.00 0.00 C ATOM 946 CG LYS A 62 0.015 -1.098 -9.521 1.00 0.00 C ATOM 947 CD LYS A 62 0.184 -0.117 -10.687 1.00 0.00 C ATOM 948 CE LYS A 62 1.093 1.038 -10.248 1.00 0.00 C ATOM 949 NZ LYS A 62 2.262 1.230 -11.126 1.00 0.00 N ATOM 0 H LYS A 62 -0.684 -3.441 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 62 2.242 -3.365 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.146 -1.237 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.470 -2.538 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.823 -1.766 -9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.224 -0.550 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.615 -0.628 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.787 0.267 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.511 1.959 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.438 0.852 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.834 2.024 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.838 0.364 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.940 1.437 -12.093 1.00 0.00 H new ATOM 963 N ILE A 63 2.329 -1.679 -6.184 1.00 0.00 N ATOM 964 CA ILE A 63 2.384 -0.721 -5.079 1.00 0.00 C ATOM 965 C ILE A 63 1.900 0.627 -5.614 1.00 0.00 C ATOM 966 O ILE A 63 2.010 0.906 -6.815 1.00 0.00 O ATOM 967 CB ILE A 63 3.827 -0.675 -4.511 1.00 0.00 C ATOM 968 CG1 ILE A 63 4.045 -1.882 -3.579 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.231 0.669 -3.871 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.244 -1.808 -2.618 1.00 0.00 C ATOM 0 H ILE A 63 3.240 -2.055 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 63 1.738 -1.009 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 63 4.509 -0.750 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.142 -2.020 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.159 -2.772 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.255 0.604 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.163 1.462 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.561 0.893 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.286 -2.717 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.165 -1.709 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.131 -0.945 -1.961 1.00 0.00 H new ATOM 982 N ILE A 64 1.357 1.458 -4.725 1.00 0.00 N ATOM 983 CA ILE A 64 0.769 2.742 -5.068 1.00 0.00 C ATOM 984 C ILE A 64 1.537 3.848 -4.309 1.00 0.00 C ATOM 985 O ILE A 64 1.987 3.612 -3.184 1.00 0.00 O ATOM 986 CB ILE A 64 -0.743 2.768 -4.754 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.458 1.402 -4.785 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.472 3.689 -5.746 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.845 1.506 -4.162 1.00 0.00 C ATOM 0 H ILE A 64 1.315 1.249 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 64 0.858 2.916 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.792 3.127 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.541 1.053 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.866 0.663 -4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.537 3.701 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.072 4.700 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.324 3.320 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.332 0.531 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.755 1.833 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.441 2.228 -4.720 1.00 0.00 H new ATOM 1001 N PRO A 65 1.729 5.034 -4.912 1.00 0.00 N ATOM 1002 CA PRO A 65 2.557 6.104 -4.356 1.00 0.00 C ATOM 1003 C PRO A 65 1.971 6.893 -3.184 1.00 0.00 C ATOM 1004 O PRO A 65 2.705 7.660 -2.561 1.00 0.00 O ATOM 1005 CB PRO A 65 2.889 7.058 -5.504 1.00 0.00 C ATOM 1006 CG PRO A 65 2.112 6.558 -6.715 1.00 0.00 C ATOM 1007 CD PRO A 65 1.505 5.223 -6.327 1.00 0.00 C ATOM 0 HA PRO A 65 3.430 5.617 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.604 8.080 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.960 7.066 -5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.335 7.269 -6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.770 6.447 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.438 5.208 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.962 4.415 -6.898 1.00 0.00 H new ATOM 1015 N GLY A 66 0.692 6.751 -2.854 1.00 0.00 N ATOM 1016 CA GLY A 66 0.114 7.367 -1.664 1.00 0.00 C ATOM 1017 C GLY A 66 -0.480 8.755 -1.882 1.00 0.00 C ATOM 1018 O GLY A 66 -1.068 9.292 -0.937 1.00 0.00 O ATOM 0 H GLY A 66 0.027 6.206 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.665 6.711 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.885 7.434 -0.897 1.00 0.00 H new ATOM 1022 N SER A 67 -0.395 9.332 -3.084 1.00 0.00 N ATOM 1023 CA SER A 67 -1.073 10.529 -3.489 1.00 0.00 C ATOM 1024 C SER A 67 -2.481 10.137 -3.927 1.00 0.00 C ATOM 1025 O SER A 67 -2.937 8.997 -3.788 1.00 0.00 O ATOM 1026 CB SER A 67 -0.300 11.164 -4.654 1.00 0.00 C ATOM 1027 OG SER A 67 1.046 11.387 -4.305 1.00 0.00 O ATOM 0 H SER A 67 0.184 8.942 -3.828 1.00 0.00 H new ATOM 0 HA SER A 67 -1.130 11.252 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.350 10.512 -5.526 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.768 12.108 -4.934 1.00 0.00 H new ATOM 0 HG SER A 67 1.518 11.790 -5.063 1.00 0.00 H new ATOM 1033 N GLU A 68 -3.170 11.129 -4.435 1.00 0.00 N ATOM 1034 CA GLU A 68 -4.541 11.145 -4.919 1.00 0.00 C ATOM 1035 C GLU A 68 -4.717 12.498 -5.597 1.00 0.00 C ATOM 1036 O GLU A 68 -4.434 13.518 -4.968 1.00 0.00 O ATOM 1037 CB GLU A 68 -5.504 11.018 -3.729 1.00 0.00 C ATOM 1038 CG GLU A 68 -6.953 10.752 -4.162 1.00 0.00 C ATOM 1039 CD GLU A 68 -7.237 9.270 -4.413 1.00 0.00 C ATOM 1040 OE1 GLU A 68 -6.307 8.447 -4.582 1.00 0.00 O ATOM 1041 OE2 GLU A 68 -8.424 8.884 -4.373 1.00 0.00 O ATOM 0 H GLU A 68 -2.742 12.050 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.748 10.323 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.169 10.208 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.468 11.934 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.630 11.121 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.165 11.316 -5.070 1.00 0.00 H new ATOM 1048 N SER A 69 -5.133 12.539 -6.862 1.00 0.00 N ATOM 1049 CA SER A 69 -5.245 13.792 -7.599 1.00 0.00 C ATOM 1050 C SER A 69 -6.453 13.743 -8.528 1.00 0.00 C ATOM 1051 O SER A 69 -6.373 13.240 -9.654 1.00 0.00 O ATOM 1052 CB SER A 69 -3.922 14.113 -8.307 1.00 0.00 C ATOM 1053 OG SER A 69 -2.888 14.351 -7.374 1.00 0.00 O ATOM 0 H SER A 69 -5.399 11.713 -7.398 1.00 0.00 H new ATOM 0 HA SER A 69 -5.423 14.620 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.644 13.284 -8.958 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.050 14.989 -8.943 1.00 0.00 H new ATOM 0 HG SER A 69 -2.056 14.551 -7.852 1.00 0.00 H new ATOM 1059 N GLY A 70 -7.581 14.256 -8.043 1.00 0.00 N ATOM 1060 CA GLY A 70 -8.859 14.278 -8.735 1.00 0.00 C ATOM 1061 C GLY A 70 -9.868 15.133 -7.965 1.00 0.00 C ATOM 1062 O GLY A 70 -10.269 16.181 -8.477 1.00 0.00 O ATOM 0 H GLY A 70 -7.627 14.684 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.728 14.676 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.240 13.262 -8.841 1.00 0.00 H new ATOM 1066 N PRO A 71 -10.290 14.732 -6.750 1.00 0.00 N ATOM 1067 CA PRO A 71 -11.111 15.571 -5.885 1.00 0.00 C ATOM 1068 C PRO A 71 -10.243 16.722 -5.353 1.00 0.00 C ATOM 1069 O PRO A 71 -9.560 16.591 -4.338 1.00 0.00 O ATOM 1070 CB PRO A 71 -11.642 14.628 -4.798 1.00 0.00 C ATOM 1071 CG PRO A 71 -10.559 13.558 -4.679 1.00 0.00 C ATOM 1072 CD PRO A 71 -10.000 13.457 -6.098 1.00 0.00 C ATOM 0 HA PRO A 71 -11.955 16.047 -6.384 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.792 15.151 -3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.602 14.195 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.788 13.845 -3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.970 12.607 -4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.927 13.266 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.462 12.631 -6.639 1.00 0.00 H new ATOM 1080 N SER A 72 -10.177 17.826 -6.094 1.00 0.00 N ATOM 1081 CA SER A 72 -9.360 18.990 -5.786 1.00 0.00 C ATOM 1082 C SER A 72 -10.274 20.023 -5.124 1.00 0.00 C ATOM 1083 O SER A 72 -11.168 20.571 -5.778 1.00 0.00 O ATOM 1084 CB SER A 72 -8.691 19.455 -7.084 1.00 0.00 C ATOM 1085 OG SER A 72 -7.973 20.669 -6.944 1.00 0.00 O ATOM 0 H SER A 72 -10.712 17.935 -6.956 1.00 0.00 H new ATOM 0 HA SER A 72 -8.550 18.790 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.011 18.678 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.454 19.579 -7.853 1.00 0.00 H new ATOM 0 HG SER A 72 -7.569 20.911 -7.803 1.00 0.00 H new ATOM 1091 N SER A 73 -10.091 20.244 -3.823 1.00 0.00 N ATOM 1092 CA SER A 73 -11.007 20.977 -2.959 1.00 0.00 C ATOM 1093 C SER A 73 -10.302 22.161 -2.291 1.00 0.00 C ATOM 1094 O SER A 73 -10.299 23.260 -2.847 1.00 0.00 O ATOM 1095 CB SER A 73 -11.647 19.992 -1.973 1.00 0.00 C ATOM 1096 OG SER A 73 -10.686 19.089 -1.447 1.00 0.00 O ATOM 0 H SER A 73 -9.268 19.903 -3.326 1.00 0.00 H new ATOM 0 HA SER A 73 -11.813 21.423 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.115 20.543 -1.158 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.437 19.434 -2.475 1.00 0.00 H new ATOM 0 HG SER A 73 -11.123 18.475 -0.821 1.00 0.00 H new ATOM 1102 N GLY A 74 -9.690 21.958 -1.123 1.00 0.00 N ATOM 1103 CA GLY A 74 -9.109 23.006 -0.298 1.00 0.00 C ATOM 1104 C GLY A 74 -9.388 22.657 1.141 1.00 0.00 C ATOM 1105 O GLY A 74 -10.353 23.192 1.723 1.00 0.00 O ATOM 0 H GLY A 74 -9.584 21.028 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.036 23.081 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.541 23.975 -0.548 1.00 0.00 H new TER 1109 GLY A 74