USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 871 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.758 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 13 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.51) USER MOD Single : A 17 ASN : amide:sc= -0.893 X(o=-0.89,f=-0.74) USER MOD Single : A 18 GLN : amide:sc= 0.224 K(o=0.22,f=-0.31) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -26:sc= 0.343! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.166) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00867 USER MOD Single : A 52 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.00018) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 61 ASN : amide:sc= -1.43! C(o=-1.4!,f=-1.1!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 97:sc= 1.14 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.379 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 30:sc= -0.424 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 36:sc= 0.191 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0316 USER MOD Single : A 97 GLN : amide:sc= -0.0385 K(o=-0.038,f=-0.59) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.619 44.794 6.386 1.00 0.00 N ATOM 2 CA GLY A 1 3.682 43.807 6.434 1.00 0.00 C ATOM 3 C GLY A 1 3.710 42.924 5.203 1.00 0.00 C ATOM 4 O GLY A 1 4.324 43.272 4.195 1.00 0.00 O ATOM 0 H1 GLY A 1 2.643 45.372 7.250 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.751 45.406 5.556 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.700 44.312 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.641 44.315 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.556 43.185 7.320 1.00 0.00 H new ATOM 8 N SER A 2 3.044 41.776 5.285 1.00 0.00 N ATOM 9 CA SER A 2 3.000 40.837 4.170 1.00 0.00 C ATOM 10 C SER A 2 1.630 40.172 4.075 1.00 0.00 C ATOM 11 O SER A 2 1.210 39.457 4.984 1.00 0.00 O ATOM 12 CB SER A 2 4.087 39.772 4.329 1.00 0.00 C ATOM 13 OG SER A 2 3.854 38.974 5.476 1.00 0.00 O ATOM 0 H SER A 2 2.528 41.474 6.111 1.00 0.00 H new ATOM 0 HA SER A 2 3.179 41.394 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.114 39.140 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.062 40.252 4.408 1.00 0.00 H new ATOM 0 HG SER A 2 2.889 38.884 5.621 1.00 0.00 H new ATOM 19 N SER A 3 0.938 40.413 2.966 1.00 0.00 N ATOM 20 CA SER A 3 -0.386 39.841 2.751 1.00 0.00 C ATOM 21 C SER A 3 -0.486 39.204 1.369 1.00 0.00 C ATOM 22 O SER A 3 0.257 39.559 0.455 1.00 0.00 O ATOM 23 CB SER A 3 -1.462 40.918 2.908 1.00 0.00 C ATOM 24 OG SER A 3 -1.461 41.453 4.220 1.00 0.00 O ATOM 0 H SER A 3 1.272 41.001 2.202 1.00 0.00 H new ATOM 0 HA SER A 3 -0.545 39.066 3.501 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.290 41.716 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.441 40.493 2.686 1.00 0.00 H new ATOM 0 HG SER A 3 -2.156 42.140 4.294 1.00 0.00 H new ATOM 30 N GLY A 4 -1.411 38.260 1.224 1.00 0.00 N ATOM 31 CA GLY A 4 -1.591 37.588 -0.050 1.00 0.00 C ATOM 32 C GLY A 4 -2.975 37.807 -0.630 1.00 0.00 C ATOM 33 O GLY A 4 -3.295 38.901 -1.094 1.00 0.00 O ATOM 0 H GLY A 4 -2.039 37.949 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.843 37.948 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.419 36.519 0.079 1.00 0.00 H new ATOM 37 N SER A 5 -3.797 36.762 -0.605 1.00 0.00 N ATOM 38 CA SER A 5 -5.152 36.844 -1.137 1.00 0.00 C ATOM 39 C SER A 5 -6.173 36.957 -0.009 1.00 0.00 C ATOM 40 O SER A 5 -6.483 35.975 0.664 1.00 0.00 O ATOM 41 CB SER A 5 -5.460 35.616 -1.997 1.00 0.00 C ATOM 42 OG SER A 5 -4.603 35.556 -3.125 1.00 0.00 O ATOM 0 H SER A 5 -3.548 35.850 -0.222 1.00 0.00 H new ATOM 0 HA SER A 5 -5.219 37.739 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.344 34.711 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.498 35.650 -2.327 1.00 0.00 H new ATOM 0 HG SER A 5 -4.818 34.762 -3.658 1.00 0.00 H new ATOM 48 N SER A 6 -6.692 38.165 0.191 1.00 0.00 N ATOM 49 CA SER A 6 -7.676 38.409 1.239 1.00 0.00 C ATOM 50 C SER A 6 -8.968 37.647 0.961 1.00 0.00 C ATOM 51 O SER A 6 -9.855 38.140 0.267 1.00 0.00 O ATOM 52 CB SER A 6 -7.968 39.907 1.354 1.00 0.00 C ATOM 53 OG SER A 6 -9.009 40.153 2.284 1.00 0.00 O ATOM 0 H SER A 6 -6.447 38.989 -0.359 1.00 0.00 H new ATOM 0 HA SER A 6 -7.262 38.053 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.066 40.434 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.247 40.302 0.377 1.00 0.00 H new ATOM 0 HG SER A 6 -9.176 41.117 2.341 1.00 0.00 H new ATOM 59 N GLY A 7 -9.065 36.440 1.510 1.00 0.00 N ATOM 60 CA GLY A 7 -10.251 35.628 1.309 1.00 0.00 C ATOM 61 C GLY A 7 -10.186 34.312 2.060 1.00 0.00 C ATOM 62 O GLY A 7 -9.263 34.060 2.835 1.00 0.00 O ATOM 0 H GLY A 7 -8.344 36.010 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.129 36.186 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.376 35.430 0.244 1.00 0.00 H new ATOM 66 N PRO A 8 -11.186 33.447 1.833 1.00 0.00 N ATOM 67 CA PRO A 8 -11.262 32.137 2.485 1.00 0.00 C ATOM 68 C PRO A 8 -10.188 31.177 1.985 1.00 0.00 C ATOM 69 O PRO A 8 -9.516 31.427 0.984 1.00 0.00 O ATOM 70 CB PRO A 8 -12.654 31.629 2.100 1.00 0.00 C ATOM 71 CG PRO A 8 -12.975 32.332 0.827 1.00 0.00 C ATOM 72 CD PRO A 8 -12.319 33.682 0.923 1.00 0.00 C ATOM 0 HA PRO A 8 -11.101 32.208 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.658 30.547 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.387 31.857 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.599 31.776 -0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.053 32.430 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.984 34.036 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.002 34.434 1.318 1.00 0.00 H new ATOM 80 N PRO A 9 -10.021 30.052 2.696 1.00 0.00 N ATOM 81 CA PRO A 9 -9.030 29.032 2.342 1.00 0.00 C ATOM 82 C PRO A 9 -9.397 28.286 1.064 1.00 0.00 C ATOM 83 O PRO A 9 -10.547 27.889 0.873 1.00 0.00 O ATOM 84 CB PRO A 9 -9.055 28.081 3.541 1.00 0.00 C ATOM 85 CG PRO A 9 -10.412 28.251 4.131 1.00 0.00 C ATOM 86 CD PRO A 9 -10.787 29.689 3.900 1.00 0.00 C ATOM 0 HA PRO A 9 -8.050 29.467 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.884 27.050 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.276 28.331 4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.130 27.580 3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.407 28.015 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.860 29.804 3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.519 30.316 4.751 1.00 0.00 H new ATOM 94 N VAL A 10 -8.413 28.097 0.190 1.00 0.00 N ATOM 95 CA VAL A 10 -8.632 27.397 -1.070 1.00 0.00 C ATOM 96 C VAL A 10 -7.549 26.353 -1.314 1.00 0.00 C ATOM 97 O VAL A 10 -6.357 26.651 -1.237 1.00 0.00 O ATOM 98 CB VAL A 10 -8.663 28.377 -2.258 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.333 29.105 -2.385 1.00 0.00 C ATOM 100 CG2 VAL A 10 -9.002 27.641 -3.546 1.00 0.00 C ATOM 0 H VAL A 10 -7.456 28.419 0.332 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.599 26.901 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.440 29.119 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.374 29.793 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.136 29.664 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.535 28.380 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.020 28.348 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.249 26.876 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.980 27.170 -3.449 1.00 0.00 H new ATOM 110 N ILE A 11 -7.972 25.128 -1.610 1.00 0.00 N ATOM 111 CA ILE A 11 -7.038 24.039 -1.867 1.00 0.00 C ATOM 112 C ILE A 11 -6.548 24.066 -3.311 1.00 0.00 C ATOM 113 O ILE A 11 -7.241 23.611 -4.221 1.00 0.00 O ATOM 114 CB ILE A 11 -7.678 22.669 -1.579 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.004 22.536 -0.090 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.752 21.547 -2.026 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.019 21.456 0.213 1.00 0.00 C ATOM 0 H ILE A 11 -8.955 24.865 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.192 24.183 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.608 22.594 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.085 22.324 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.381 23.491 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.219 20.585 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.566 21.634 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.808 21.618 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.201 21.419 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.952 21.677 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.636 20.492 -0.124 1.00 0.00 H new ATOM 129 N ARG A 12 -5.347 24.600 -3.513 1.00 0.00 N ATOM 130 CA ARG A 12 -4.763 24.685 -4.846 1.00 0.00 C ATOM 131 C ARG A 12 -4.525 23.293 -5.425 1.00 0.00 C ATOM 132 O ARG A 12 -4.931 23.001 -6.549 1.00 0.00 O ATOM 133 CB ARG A 12 -3.446 25.462 -4.800 1.00 0.00 C ATOM 134 CG ARG A 12 -3.616 26.925 -4.425 1.00 0.00 C ATOM 135 CD ARG A 12 -4.092 27.752 -5.608 1.00 0.00 C ATOM 136 NE ARG A 12 -3.746 29.164 -5.464 1.00 0.00 N ATOM 137 CZ ARG A 12 -4.265 30.128 -6.216 1.00 0.00 C ATOM 138 NH1 ARG A 12 -5.149 29.835 -7.159 1.00 0.00 N ATOM 139 NH2 ARG A 12 -3.899 31.389 -6.024 1.00 0.00 N ATOM 0 H ARG A 12 -4.760 24.980 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.466 25.213 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.778 24.987 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.962 25.399 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.332 27.011 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.668 27.321 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.649 27.362 -6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.173 27.652 -5.709 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.069 29.424 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.433 28.867 -7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.546 30.578 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.219 31.618 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.298 32.129 -6.602 1.00 0.00 H new ATOM 153 N GLN A 13 -3.865 22.440 -4.648 1.00 0.00 N ATOM 154 CA GLN A 13 -3.572 21.080 -5.085 1.00 0.00 C ATOM 155 C GLN A 13 -4.553 20.087 -4.470 1.00 0.00 C ATOM 156 O GLN A 13 -5.461 19.600 -5.142 1.00 0.00 O ATOM 157 CB GLN A 13 -2.139 20.698 -4.709 1.00 0.00 C ATOM 158 CG GLN A 13 -1.086 21.327 -5.606 1.00 0.00 C ATOM 159 CD GLN A 13 -1.496 21.340 -7.066 1.00 0.00 C ATOM 160 OE1 GLN A 13 -1.981 22.349 -7.578 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.301 20.216 -7.746 1.00 0.00 N ATOM 0 H GLN A 13 -3.523 22.666 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.678 21.043 -6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.951 20.997 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.038 19.613 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.897 22.349 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.150 20.779 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.896 19.403 -7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.556 20.166 -8.732 1.00 0.00 H new ATOM 170 N GLY A 14 -4.363 19.792 -3.188 1.00 0.00 N ATOM 171 CA GLY A 14 -5.239 18.858 -2.504 1.00 0.00 C ATOM 172 C GLY A 14 -4.936 17.415 -2.856 1.00 0.00 C ATOM 173 O GLY A 14 -4.184 17.125 -3.786 1.00 0.00 O ATOM 0 H GLY A 14 -3.618 20.183 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.141 18.994 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.275 19.082 -2.760 1.00 0.00 H new ATOM 177 N PRO A 15 -5.529 16.480 -2.098 1.00 0.00 N ATOM 178 CA PRO A 15 -5.332 15.044 -2.314 1.00 0.00 C ATOM 179 C PRO A 15 -5.988 14.556 -3.601 1.00 0.00 C ATOM 180 O PRO A 15 -7.151 14.858 -3.870 1.00 0.00 O ATOM 181 CB PRO A 15 -6.005 14.406 -1.096 1.00 0.00 C ATOM 182 CG PRO A 15 -7.021 15.404 -0.659 1.00 0.00 C ATOM 183 CD PRO A 15 -6.437 16.754 -0.971 1.00 0.00 C ATOM 0 HA PRO A 15 -4.277 14.789 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.470 13.454 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.283 14.204 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.964 15.256 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.231 15.306 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.210 17.473 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.903 17.168 -0.116 1.00 0.00 H new ATOM 191 N VAL A 16 -5.235 13.800 -4.394 1.00 0.00 N ATOM 192 CA VAL A 16 -5.745 13.269 -5.653 1.00 0.00 C ATOM 193 C VAL A 16 -6.055 11.781 -5.537 1.00 0.00 C ATOM 194 O VAL A 16 -5.367 11.048 -4.828 1.00 0.00 O ATOM 195 CB VAL A 16 -4.740 13.485 -6.801 1.00 0.00 C ATOM 196 CG1 VAL A 16 -4.512 14.970 -7.038 1.00 0.00 C ATOM 197 CG2 VAL A 16 -3.428 12.777 -6.500 1.00 0.00 C ATOM 0 H VAL A 16 -4.270 13.542 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.663 13.812 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.157 13.056 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.800 15.103 -7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.457 15.446 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.116 15.427 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.730 12.940 -7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.003 13.174 -5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.609 11.708 -6.385 1.00 0.00 H new ATOM 207 N ASN A 17 -7.094 11.342 -6.238 1.00 0.00 N ATOM 208 CA ASN A 17 -7.496 9.940 -6.214 1.00 0.00 C ATOM 209 C ASN A 17 -6.450 9.063 -6.895 1.00 0.00 C ATOM 210 O ASN A 17 -6.176 9.218 -8.084 1.00 0.00 O ATOM 211 CB ASN A 17 -8.852 9.765 -6.901 1.00 0.00 C ATOM 212 CG ASN A 17 -8.775 9.994 -8.398 1.00 0.00 C ATOM 213 OD1 ASN A 17 -8.663 9.047 -9.177 1.00 0.00 O ATOM 214 ND2 ASN A 17 -8.835 11.256 -8.807 1.00 0.00 N ATOM 0 H ASN A 17 -7.674 11.937 -6.830 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.582 9.630 -5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.227 8.760 -6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.569 10.461 -6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.788 11.472 -9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.928 12.009 -8.125 1.00 0.00 H new ATOM 221 N GLN A 18 -5.872 8.141 -6.132 1.00 0.00 N ATOM 222 CA GLN A 18 -4.856 7.239 -6.662 1.00 0.00 C ATOM 223 C GLN A 18 -5.131 5.800 -6.238 1.00 0.00 C ATOM 224 O GLN A 18 -5.705 5.553 -5.177 1.00 0.00 O ATOM 225 CB GLN A 18 -3.466 7.666 -6.188 1.00 0.00 C ATOM 226 CG GLN A 18 -3.321 7.691 -4.675 1.00 0.00 C ATOM 227 CD GLN A 18 -2.107 8.477 -4.218 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.107 8.567 -4.931 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.189 9.051 -3.024 1.00 0.00 N ATOM 0 H GLN A 18 -6.090 7.999 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.892 7.291 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.724 6.985 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.245 8.658 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.218 8.127 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.248 6.669 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.037 8.950 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.404 9.593 -2.664 1.00 0.00 H new ATOM 238 N THR A 19 -4.719 4.852 -7.074 1.00 0.00 N ATOM 239 CA THR A 19 -4.922 3.438 -6.787 1.00 0.00 C ATOM 240 C THR A 19 -3.648 2.799 -6.244 1.00 0.00 C ATOM 241 O THR A 19 -2.555 3.036 -6.758 1.00 0.00 O ATOM 242 CB THR A 19 -5.374 2.669 -8.042 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.520 3.304 -8.619 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.706 1.224 -7.701 1.00 0.00 C ATOM 0 H THR A 19 -4.242 5.039 -7.956 1.00 0.00 H new ATOM 0 HA THR A 19 -5.706 3.378 -6.032 1.00 0.00 H new ATOM 0 HB THR A 19 -4.555 2.677 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.800 2.810 -9.418 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.023 0.701 -8.603 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.823 0.735 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.510 1.199 -6.966 1.00 0.00 H new ATOM 252 N VAL A 20 -3.797 1.987 -5.202 1.00 0.00 N ATOM 253 CA VAL A 20 -2.659 1.312 -4.591 1.00 0.00 C ATOM 254 C VAL A 20 -3.001 -0.131 -4.236 1.00 0.00 C ATOM 255 O VAL A 20 -4.151 -0.451 -3.937 1.00 0.00 O ATOM 256 CB VAL A 20 -2.189 2.044 -3.319 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.311 1.134 -2.473 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.450 3.323 -3.683 1.00 0.00 C ATOM 0 H VAL A 20 -4.695 1.781 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.854 1.321 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.066 2.313 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.989 1.668 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.877 0.249 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.437 0.832 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.125 3.827 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.580 3.080 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.114 3.980 -4.244 1.00 0.00 H new ATOM 268 N ALA A 21 -1.994 -0.998 -4.272 1.00 0.00 N ATOM 269 CA ALA A 21 -2.188 -2.407 -3.952 1.00 0.00 C ATOM 270 C ALA A 21 -2.214 -2.629 -2.444 1.00 0.00 C ATOM 271 O ALA A 21 -1.749 -1.788 -1.674 1.00 0.00 O ATOM 272 CB ALA A 21 -1.093 -3.248 -4.592 1.00 0.00 C ATOM 0 H ALA A 21 -1.036 -0.749 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.152 -2.717 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.250 -4.298 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.123 -3.121 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.121 -2.928 -4.216 1.00 0.00 H new ATOM 278 N VAL A 22 -2.762 -3.766 -2.027 1.00 0.00 N ATOM 279 CA VAL A 22 -2.850 -4.098 -0.610 1.00 0.00 C ATOM 280 C VAL A 22 -1.512 -3.882 0.088 1.00 0.00 C ATOM 281 O VAL A 22 -0.454 -3.964 -0.536 1.00 0.00 O ATOM 282 CB VAL A 22 -3.295 -5.558 -0.403 1.00 0.00 C ATOM 283 CG1 VAL A 22 -2.963 -6.022 1.007 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.782 -5.706 -0.686 1.00 0.00 C ATOM 0 H VAL A 22 -3.152 -4.473 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.596 -3.433 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.750 -6.189 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.285 -7.056 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.887 -5.954 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.479 -5.389 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.080 -6.744 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.347 -5.064 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.987 -5.416 -1.717 1.00 0.00 H new ATOM 294 N ASP A 23 -1.566 -3.607 1.387 1.00 0.00 N ATOM 295 CA ASP A 23 -0.358 -3.381 2.172 1.00 0.00 C ATOM 296 C ASP A 23 0.657 -2.561 1.382 1.00 0.00 C ATOM 297 O ASP A 23 1.865 -2.723 1.548 1.00 0.00 O ATOM 298 CB ASP A 23 0.260 -4.715 2.591 1.00 0.00 C ATOM 299 CG ASP A 23 -0.579 -5.444 3.622 1.00 0.00 C ATOM 300 OD1 ASP A 23 -0.922 -4.827 4.652 1.00 0.00 O ATOM 301 OD2 ASP A 23 -0.893 -6.632 3.398 1.00 0.00 O ATOM 0 H ASP A 23 -2.434 -3.535 1.918 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.634 -2.821 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.381 -5.348 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.256 -4.539 2.996 1.00 0.00 H new ATOM 306 N GLY A 24 0.157 -1.679 0.521 1.00 0.00 N ATOM 307 CA GLY A 24 1.034 -0.847 -0.282 1.00 0.00 C ATOM 308 C GLY A 24 1.466 0.411 0.444 1.00 0.00 C ATOM 309 O GLY A 24 1.833 0.365 1.619 1.00 0.00 O ATOM 0 H GLY A 24 -0.839 -1.526 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.917 -1.421 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.524 -0.573 -1.205 1.00 0.00 H new ATOM 313 N THR A 25 1.424 1.541 -0.255 1.00 0.00 N ATOM 314 CA THR A 25 1.816 2.817 0.329 1.00 0.00 C ATOM 315 C THR A 25 1.196 3.984 -0.432 1.00 0.00 C ATOM 316 O THR A 25 1.480 4.190 -1.612 1.00 0.00 O ATOM 317 CB THR A 25 3.347 2.983 0.340 1.00 0.00 C ATOM 318 OG1 THR A 25 3.966 1.781 0.813 1.00 0.00 O ATOM 319 CG2 THR A 25 3.759 4.152 1.222 1.00 0.00 C ATOM 0 H THR A 25 1.122 1.598 -1.228 1.00 0.00 H new ATOM 0 HA THR A 25 1.450 2.820 1.356 1.00 0.00 H new ATOM 0 HB THR A 25 3.676 3.185 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.341 1.298 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.845 4.249 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.310 5.070 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.418 3.976 2.242 1.00 0.00 H new ATOM 327 N PHE A 26 0.348 4.745 0.251 1.00 0.00 N ATOM 328 CA PHE A 26 -0.313 5.892 -0.361 1.00 0.00 C ATOM 329 C PHE A 26 -0.285 7.098 0.573 1.00 0.00 C ATOM 330 O PHE A 26 -0.696 7.012 1.730 1.00 0.00 O ATOM 331 CB PHE A 26 -1.759 5.543 -0.718 1.00 0.00 C ATOM 332 CG PHE A 26 -2.659 5.419 0.478 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.658 4.265 1.245 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.505 6.456 0.836 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.485 4.147 2.346 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.335 6.344 1.936 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.324 5.189 2.693 1.00 0.00 C ATOM 0 H PHE A 26 0.102 4.588 1.228 1.00 0.00 H new ATOM 0 HA PHE A 26 0.228 6.148 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.156 6.310 -1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.772 4.604 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.003 3.448 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.516 7.362 0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.476 3.242 2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.991 7.159 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.970 5.100 3.554 1.00 0.00 H new ATOM 347 N VAL A 27 0.205 8.224 0.062 1.00 0.00 N ATOM 348 CA VAL A 27 0.287 9.448 0.849 1.00 0.00 C ATOM 349 C VAL A 27 -0.628 10.528 0.282 1.00 0.00 C ATOM 350 O VAL A 27 -0.760 10.671 -0.934 1.00 0.00 O ATOM 351 CB VAL A 27 1.729 9.988 0.898 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.300 10.116 -0.506 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.773 11.323 1.624 1.00 0.00 C ATOM 0 H VAL A 27 0.551 8.313 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.034 9.196 1.860 1.00 0.00 H new ATOM 0 HB VAL A 27 2.345 9.279 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.319 10.499 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.305 9.138 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.685 10.803 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.799 11.690 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.143 12.043 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.408 11.195 2.643 1.00 0.00 H new ATOM 363 N LEU A 28 -1.259 11.286 1.172 1.00 0.00 N ATOM 364 CA LEU A 28 -2.163 12.355 0.761 1.00 0.00 C ATOM 365 C LEU A 28 -1.687 13.704 1.289 1.00 0.00 C ATOM 366 O LEU A 28 -1.523 13.887 2.495 1.00 0.00 O ATOM 367 CB LEU A 28 -3.581 12.071 1.261 1.00 0.00 C ATOM 368 CG LEU A 28 -4.150 10.694 0.917 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.205 10.284 1.933 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.732 10.692 -0.489 1.00 0.00 C ATOM 0 H LEU A 28 -1.162 11.181 2.182 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.169 12.393 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.593 12.187 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.248 12.830 0.852 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.338 9.968 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.599 9.302 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.758 10.244 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.016 11.012 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.132 9.704 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.531 11.430 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.950 10.940 -1.207 1.00 0.00 H new ATOM 382 N SER A 29 -1.469 14.647 0.378 1.00 0.00 N ATOM 383 CA SER A 29 -1.010 15.980 0.752 1.00 0.00 C ATOM 384 C SER A 29 -2.017 17.042 0.322 1.00 0.00 C ATOM 385 O SER A 29 -2.369 17.140 -0.854 1.00 0.00 O ATOM 386 CB SER A 29 0.354 16.268 0.121 1.00 0.00 C ATOM 387 OG SER A 29 1.305 15.286 0.490 1.00 0.00 O ATOM 0 H SER A 29 -1.603 14.513 -0.624 1.00 0.00 H new ATOM 0 HA SER A 29 -0.915 16.014 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.257 16.295 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.703 17.252 0.435 1.00 0.00 H new ATOM 0 HG SER A 29 2.167 15.492 0.072 1.00 0.00 H new ATOM 393 N CYS A 30 -2.477 17.835 1.283 1.00 0.00 N ATOM 394 CA CYS A 30 -3.445 18.891 1.007 1.00 0.00 C ATOM 395 C CYS A 30 -2.846 20.265 1.291 1.00 0.00 C ATOM 396 O CYS A 30 -2.426 20.552 2.412 1.00 0.00 O ATOM 397 CB CYS A 30 -4.706 18.688 1.847 1.00 0.00 C ATOM 398 SG CYS A 30 -6.029 19.894 1.507 1.00 0.00 S ATOM 0 H CYS A 30 -2.195 17.767 2.261 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.709 18.841 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.090 17.684 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.440 18.745 2.902 1.00 0.00 H new ATOM 403 N VAL A 31 -2.811 21.113 0.267 1.00 0.00 N ATOM 404 CA VAL A 31 -2.266 22.458 0.407 1.00 0.00 C ATOM 405 C VAL A 31 -3.336 23.513 0.153 1.00 0.00 C ATOM 406 O VAL A 31 -3.996 23.507 -0.886 1.00 0.00 O ATOM 407 CB VAL A 31 -1.091 22.690 -0.562 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.536 24.097 -0.400 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.004 21.650 -0.340 1.00 0.00 C ATOM 0 H VAL A 31 -3.154 20.892 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.906 22.550 1.432 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.458 22.585 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.293 24.243 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.319 24.824 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.183 24.234 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.818 21.829 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.363 21.720 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.413 20.654 -0.512 1.00 0.00 H new ATOM 419 N ALA A 32 -3.503 24.421 1.110 1.00 0.00 N ATOM 420 CA ALA A 32 -4.491 25.485 0.990 1.00 0.00 C ATOM 421 C ALA A 32 -3.910 26.826 1.427 1.00 0.00 C ATOM 422 O ALA A 32 -2.958 26.877 2.207 1.00 0.00 O ATOM 423 CB ALA A 32 -5.729 25.151 1.809 1.00 0.00 C ATOM 0 H ALA A 32 -2.966 24.440 1.977 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.775 25.567 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.459 25.955 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.164 24.219 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.452 25.039 2.857 1.00 0.00 H new ATOM 429 N THR A 33 -4.489 27.910 0.920 1.00 0.00 N ATOM 430 CA THR A 33 -4.027 29.251 1.257 1.00 0.00 C ATOM 431 C THR A 33 -4.768 29.798 2.472 1.00 0.00 C ATOM 432 O THR A 33 -5.721 29.189 2.956 1.00 0.00 O ATOM 433 CB THR A 33 -4.214 30.222 0.076 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.570 30.682 0.030 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.856 29.549 -1.240 1.00 0.00 C ATOM 0 H THR A 33 -5.279 27.886 0.275 1.00 0.00 H new ATOM 0 HA THR A 33 -2.965 29.171 1.488 1.00 0.00 H new ATOM 0 HB THR A 33 -3.547 31.072 0.224 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.680 31.300 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.996 30.254 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.815 29.227 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.500 28.683 -1.393 1.00 0.00 H new ATOM 443 N GLY A 34 -4.322 30.951 2.961 1.00 0.00 N ATOM 444 CA GLY A 34 -4.955 31.561 4.116 1.00 0.00 C ATOM 445 C GLY A 34 -3.953 31.966 5.180 1.00 0.00 C ATOM 446 O GLY A 34 -2.949 31.284 5.388 1.00 0.00 O ATOM 0 H GLY A 34 -3.534 31.473 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.517 32.439 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.673 30.862 4.545 1.00 0.00 H new ATOM 450 N SER A 35 -4.225 33.079 5.853 1.00 0.00 N ATOM 451 CA SER A 35 -3.337 33.577 6.897 1.00 0.00 C ATOM 452 C SER A 35 -4.101 33.804 8.198 1.00 0.00 C ATOM 453 O SER A 35 -5.095 34.528 8.245 1.00 0.00 O ATOM 454 CB SER A 35 -2.669 34.879 6.450 1.00 0.00 C ATOM 455 OG SER A 35 -1.540 35.175 7.253 1.00 0.00 O ATOM 0 H SER A 35 -5.053 33.653 5.694 1.00 0.00 H new ATOM 0 HA SER A 35 -2.568 32.825 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.365 34.796 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.386 35.698 6.509 1.00 0.00 H new ATOM 0 HG SER A 35 -1.130 36.011 6.946 1.00 0.00 H new ATOM 461 N PRO A 36 -3.626 33.170 9.280 1.00 0.00 N ATOM 462 CA PRO A 36 -2.443 32.305 9.236 1.00 0.00 C ATOM 463 C PRO A 36 -2.700 31.011 8.470 1.00 0.00 C ATOM 464 O PRO A 36 -3.820 30.750 8.030 1.00 0.00 O ATOM 465 CB PRO A 36 -2.166 32.007 10.711 1.00 0.00 C ATOM 466 CG PRO A 36 -3.486 32.165 11.384 1.00 0.00 C ATOM 467 CD PRO A 36 -4.207 33.248 10.631 1.00 0.00 C ATOM 0 HA PRO A 36 -1.609 32.781 8.720 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.772 30.999 10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.427 32.695 11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.050 31.232 11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.360 32.436 12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.284 33.078 10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.045 34.227 11.082 1.00 0.00 H new ATOM 475 N VAL A 37 -1.655 30.205 8.313 1.00 0.00 N ATOM 476 CA VAL A 37 -1.768 28.937 7.602 1.00 0.00 C ATOM 477 C VAL A 37 -2.957 28.127 8.106 1.00 0.00 C ATOM 478 O VAL A 37 -3.133 27.918 9.307 1.00 0.00 O ATOM 479 CB VAL A 37 -0.487 28.094 7.750 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.663 26.735 7.091 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.706 28.831 7.161 1.00 0.00 C ATOM 0 H VAL A 37 -0.721 30.407 8.669 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.917 29.178 6.549 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.298 27.934 8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.252 26.154 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.491 26.206 7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.877 26.870 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.602 28.221 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.529 29.023 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.843 29.778 7.683 1.00 0.00 H new ATOM 491 N PRO A 38 -3.795 27.660 7.169 1.00 0.00 N ATOM 492 CA PRO A 38 -4.982 26.864 7.494 1.00 0.00 C ATOM 493 C PRO A 38 -4.625 25.474 8.008 1.00 0.00 C ATOM 494 O PRO A 38 -3.638 24.876 7.579 1.00 0.00 O ATOM 495 CB PRO A 38 -5.721 26.766 6.157 1.00 0.00 C ATOM 496 CG PRO A 38 -4.659 26.932 5.125 1.00 0.00 C ATOM 497 CD PRO A 38 -3.647 27.871 5.719 1.00 0.00 C ATOM 0 HA PRO A 38 -5.572 27.319 8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.227 25.806 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.484 27.540 6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.203 25.974 4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.072 27.337 4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.637 27.640 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.847 28.906 5.441 1.00 0.00 H new ATOM 505 N THR A 39 -5.435 24.963 8.931 1.00 0.00 N ATOM 506 CA THR A 39 -5.205 23.643 9.504 1.00 0.00 C ATOM 507 C THR A 39 -5.740 22.546 8.592 1.00 0.00 C ATOM 508 O THR A 39 -6.926 22.524 8.262 1.00 0.00 O ATOM 509 CB THR A 39 -5.864 23.510 10.890 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.549 24.652 11.695 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.396 22.244 11.592 1.00 0.00 C ATOM 0 H THR A 39 -6.256 25.444 9.297 1.00 0.00 H new ATOM 0 HA THR A 39 -4.126 23.528 9.610 1.00 0.00 H new ATOM 0 HB THR A 39 -6.943 23.452 10.750 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.973 24.560 12.574 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.874 22.171 12.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.664 21.375 10.991 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.314 22.278 11.720 1.00 0.00 H new ATOM 519 N ILE A 40 -4.859 21.637 8.187 1.00 0.00 N ATOM 520 CA ILE A 40 -5.245 20.536 7.314 1.00 0.00 C ATOM 521 C ILE A 40 -5.665 19.314 8.123 1.00 0.00 C ATOM 522 O ILE A 40 -4.911 18.824 8.965 1.00 0.00 O ATOM 523 CB ILE A 40 -4.098 20.141 6.366 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.707 21.326 5.481 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.503 18.947 5.513 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.830 21.812 4.592 1.00 0.00 C ATOM 0 H ILE A 40 -3.873 21.642 8.450 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.091 20.885 6.722 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.233 19.858 6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.374 22.148 6.115 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.859 21.040 4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.682 18.680 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.737 18.101 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.381 19.204 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.482 22.653 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.148 21.004 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.671 22.129 5.209 1.00 0.00 H new ATOM 538 N LEU A 41 -6.872 18.824 7.862 1.00 0.00 N ATOM 539 CA LEU A 41 -7.392 17.656 8.565 1.00 0.00 C ATOM 540 C LEU A 41 -7.702 16.526 7.589 1.00 0.00 C ATOM 541 O LEU A 41 -7.472 16.652 6.386 1.00 0.00 O ATOM 542 CB LEU A 41 -8.652 18.028 9.349 1.00 0.00 C ATOM 543 CG LEU A 41 -8.426 18.694 10.707 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.471 17.868 11.554 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.894 20.108 10.525 1.00 0.00 C ATOM 0 H LEU A 41 -7.509 19.217 7.169 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.627 17.311 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.254 18.697 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.240 17.123 9.504 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.383 18.751 11.226 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.322 18.357 12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.892 16.875 11.713 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.514 17.779 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.739 20.567 11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.947 20.074 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.614 20.697 9.957 1.00 0.00 H new ATOM 557 N TRP A 42 -8.226 15.425 8.114 1.00 0.00 N ATOM 558 CA TRP A 42 -8.570 14.273 7.288 1.00 0.00 C ATOM 559 C TRP A 42 -9.831 13.589 7.804 1.00 0.00 C ATOM 560 O TRP A 42 -10.173 13.706 8.981 1.00 0.00 O ATOM 561 CB TRP A 42 -7.410 13.277 7.258 1.00 0.00 C ATOM 562 CG TRP A 42 -6.180 13.816 6.593 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.054 14.286 7.208 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.953 13.944 5.185 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.141 14.698 6.267 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.668 14.498 5.019 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.709 13.643 4.049 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.126 14.756 3.763 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.170 13.900 2.803 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.888 14.452 2.668 1.00 0.00 C ATOM 0 H TRP A 42 -8.422 15.305 9.108 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.761 14.628 6.275 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.164 12.986 8.279 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.729 12.374 6.738 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.904 14.328 8.277 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.220 15.089 6.466 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.697 13.217 4.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.139 15.181 3.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.746 13.672 1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.494 14.641 1.680 1.00 0.00 H new ATOM 581 N ARG A 43 -10.517 12.875 6.918 1.00 0.00 N ATOM 582 CA ARG A 43 -11.741 12.173 7.286 1.00 0.00 C ATOM 583 C ARG A 43 -11.965 10.962 6.385 1.00 0.00 C ATOM 584 O ARG A 43 -11.953 11.076 5.159 1.00 0.00 O ATOM 585 CB ARG A 43 -12.941 13.117 7.198 1.00 0.00 C ATOM 586 CG ARG A 43 -12.822 14.339 8.093 1.00 0.00 C ATOM 587 CD ARG A 43 -13.935 15.339 7.822 1.00 0.00 C ATOM 588 NE ARG A 43 -13.991 16.385 8.840 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.052 17.158 9.041 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.140 17.003 8.299 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.027 18.088 9.987 1.00 0.00 N ATOM 0 H ARG A 43 -10.246 12.767 5.940 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.636 11.825 8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.060 13.444 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.844 12.568 7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.855 14.031 9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.855 14.816 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.783 15.794 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.891 14.817 7.786 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.171 16.530 9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.164 16.288 7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.953 17.598 8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.192 18.210 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.842 18.681 10.141 1.00 0.00 H new ATOM 605 N LYS A 44 -12.168 9.803 7.000 1.00 0.00 N ATOM 606 CA LYS A 44 -12.396 8.570 6.255 1.00 0.00 C ATOM 607 C LYS A 44 -13.888 8.286 6.116 1.00 0.00 C ATOM 608 O LYS A 44 -14.501 7.688 7.001 1.00 0.00 O ATOM 609 CB LYS A 44 -11.705 7.395 6.950 1.00 0.00 C ATOM 610 CG LYS A 44 -10.226 7.280 6.625 1.00 0.00 C ATOM 611 CD LYS A 44 -9.609 6.046 7.261 1.00 0.00 C ATOM 612 CE LYS A 44 -9.883 4.798 6.436 1.00 0.00 C ATOM 613 NZ LYS A 44 -9.939 3.574 7.283 1.00 0.00 N ATOM 0 H LYS A 44 -12.179 9.691 8.014 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.973 8.694 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.824 7.501 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.204 6.470 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.092 7.239 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.705 8.171 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.533 6.187 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.010 5.914 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.827 4.915 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.104 4.683 5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.173 2.926 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.827 3.838 8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.856 3.102 7.150 1.00 0.00 H new ATOM 627 N ASP A 45 -14.466 8.717 5.000 1.00 0.00 N ATOM 628 CA ASP A 45 -15.886 8.507 4.744 1.00 0.00 C ATOM 629 C ASP A 45 -16.725 8.948 5.939 1.00 0.00 C ATOM 630 O ASP A 45 -17.777 8.374 6.219 1.00 0.00 O ATOM 631 CB ASP A 45 -16.157 7.034 4.431 1.00 0.00 C ATOM 632 CG ASP A 45 -17.373 6.845 3.545 1.00 0.00 C ATOM 633 OD1 ASP A 45 -18.431 7.431 3.857 1.00 0.00 O ATOM 634 OD2 ASP A 45 -17.267 6.110 2.541 1.00 0.00 O ATOM 0 H ASP A 45 -13.973 9.214 4.258 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.168 9.112 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.284 6.603 3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.302 6.488 5.363 1.00 0.00 H new ATOM 639 N GLY A 46 -16.251 9.972 6.643 1.00 0.00 N ATOM 640 CA GLY A 46 -16.969 10.473 7.800 1.00 0.00 C ATOM 641 C GLY A 46 -16.256 10.165 9.102 1.00 0.00 C ATOM 642 O GLY A 46 -16.401 10.893 10.085 1.00 0.00 O ATOM 0 H GLY A 46 -15.382 10.463 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.097 11.551 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -17.967 10.034 7.823 1.00 0.00 H new ATOM 646 N VAL A 47 -15.484 9.083 9.111 1.00 0.00 N ATOM 647 CA VAL A 47 -14.746 8.681 10.303 1.00 0.00 C ATOM 648 C VAL A 47 -13.468 9.497 10.459 1.00 0.00 C ATOM 649 O VAL A 47 -12.500 9.303 9.723 1.00 0.00 O ATOM 650 CB VAL A 47 -14.385 7.184 10.260 1.00 0.00 C ATOM 651 CG1 VAL A 47 -13.566 6.797 11.482 1.00 0.00 C ATOM 652 CG2 VAL A 47 -15.643 6.335 10.160 1.00 0.00 C ATOM 0 H VAL A 47 -15.353 8.469 8.307 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.398 8.866 11.157 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.779 7.000 9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.320 5.736 11.434 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.646 7.382 11.504 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.144 6.995 12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.369 5.280 10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.277 6.521 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.186 6.594 9.251 1.00 0.00 H new ATOM 662 N LEU A 48 -13.472 10.411 11.423 1.00 0.00 N ATOM 663 CA LEU A 48 -12.312 11.258 11.678 1.00 0.00 C ATOM 664 C LEU A 48 -11.039 10.423 11.777 1.00 0.00 C ATOM 665 O LEU A 48 -10.908 9.574 12.659 1.00 0.00 O ATOM 666 CB LEU A 48 -12.512 12.058 12.967 1.00 0.00 C ATOM 667 CG LEU A 48 -11.782 13.398 13.046 1.00 0.00 C ATOM 668 CD1 LEU A 48 -10.291 13.208 12.811 1.00 0.00 C ATOM 669 CD2 LEU A 48 -12.361 14.382 12.039 1.00 0.00 C ATOM 0 H LEU A 48 -14.265 10.585 12.041 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.208 11.949 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.579 12.240 13.096 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.190 11.442 13.807 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.923 13.808 14.046 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.787 14.173 12.871 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.885 12.539 13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.131 12.776 11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.829 15.331 12.110 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.252 13.979 11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.418 14.542 12.253 1.00 0.00 H new ATOM 681 N VAL A 49 -10.101 10.673 10.869 1.00 0.00 N ATOM 682 CA VAL A 49 -8.837 9.946 10.856 1.00 0.00 C ATOM 683 C VAL A 49 -8.305 9.745 12.270 1.00 0.00 C ATOM 684 O VAL A 49 -8.319 10.665 13.087 1.00 0.00 O ATOM 685 CB VAL A 49 -7.775 10.684 10.019 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.409 10.039 10.200 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.173 10.705 8.551 1.00 0.00 C ATOM 0 H VAL A 49 -10.192 11.373 10.133 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.034 8.974 10.404 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.713 11.714 10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.672 10.574 9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.123 10.082 11.251 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.452 8.999 9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.411 11.230 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.265 9.683 8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.129 11.217 8.440 1.00 0.00 H new ATOM 697 N SER A 50 -7.835 8.534 12.552 1.00 0.00 N ATOM 698 CA SER A 50 -7.300 8.209 13.869 1.00 0.00 C ATOM 699 C SER A 50 -5.790 7.998 13.806 1.00 0.00 C ATOM 700 O SER A 50 -5.313 6.998 13.269 1.00 0.00 O ATOM 701 CB SER A 50 -7.979 6.956 14.424 1.00 0.00 C ATOM 702 OG SER A 50 -7.979 6.960 15.841 1.00 0.00 O ATOM 0 H SER A 50 -7.814 7.762 11.886 1.00 0.00 H new ATOM 0 HA SER A 50 -7.504 9.049 14.534 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.004 6.902 14.058 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.463 6.068 14.060 1.00 0.00 H new ATOM 0 HG SER A 50 -8.420 6.149 16.170 1.00 0.00 H new ATOM 708 N THR A 51 -5.042 8.948 14.359 1.00 0.00 N ATOM 709 CA THR A 51 -3.587 8.868 14.365 1.00 0.00 C ATOM 710 C THR A 51 -3.091 7.961 15.485 1.00 0.00 C ATOM 711 O THR A 51 -2.135 8.292 16.185 1.00 0.00 O ATOM 712 CB THR A 51 -2.949 10.261 14.526 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.570 10.961 15.610 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.087 11.071 13.246 1.00 0.00 C ATOM 0 H THR A 51 -5.420 9.782 14.809 1.00 0.00 H new ATOM 0 HA THR A 51 -3.289 8.449 13.404 1.00 0.00 H new ATOM 0 HB THR A 51 -1.888 10.129 14.740 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.158 11.845 15.707 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.629 12.051 13.384 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.588 10.549 12.430 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.143 11.195 13.006 1.00 0.00 H new ATOM 722 N GLN A 52 -3.746 6.816 15.647 1.00 0.00 N ATOM 723 CA GLN A 52 -3.370 5.861 16.683 1.00 0.00 C ATOM 724 C GLN A 52 -2.660 4.654 16.079 1.00 0.00 C ATOM 725 O GLN A 52 -1.712 4.125 16.659 1.00 0.00 O ATOM 726 CB GLN A 52 -4.606 5.405 17.459 1.00 0.00 C ATOM 727 CG GLN A 52 -4.928 6.280 18.660 1.00 0.00 C ATOM 728 CD GLN A 52 -5.746 5.553 19.709 1.00 0.00 C ATOM 729 OE1 GLN A 52 -6.856 5.967 20.044 1.00 0.00 O ATOM 730 NE2 GLN A 52 -5.200 4.463 20.235 1.00 0.00 N ATOM 0 H GLN A 52 -4.539 6.527 15.075 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.683 6.358 17.368 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.464 5.396 16.787 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.455 4.380 17.797 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.999 6.631 19.108 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.474 7.162 18.326 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.277 4.156 19.928 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.703 3.933 20.946 1.00 0.00 H new ATOM 739 N ASP A 53 -3.125 4.224 14.911 1.00 0.00 N ATOM 740 CA ASP A 53 -2.534 3.079 14.228 1.00 0.00 C ATOM 741 C ASP A 53 -1.287 3.493 13.452 1.00 0.00 C ATOM 742 O ASP A 53 -1.365 4.275 12.504 1.00 0.00 O ATOM 743 CB ASP A 53 -3.552 2.443 13.279 1.00 0.00 C ATOM 744 CG ASP A 53 -3.204 1.009 12.935 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.998 0.690 12.866 1.00 0.00 O ATOM 746 OD2 ASP A 53 -4.138 0.204 12.734 1.00 0.00 O ATOM 0 H ASP A 53 -3.909 4.651 14.418 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.245 2.347 14.982 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.541 2.474 13.737 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.607 3.031 12.363 1.00 0.00 H new ATOM 751 N SER A 54 -0.139 2.965 13.862 1.00 0.00 N ATOM 752 CA SER A 54 1.125 3.283 13.209 1.00 0.00 C ATOM 753 C SER A 54 0.929 3.473 11.708 1.00 0.00 C ATOM 754 O SER A 54 1.529 4.358 11.100 1.00 0.00 O ATOM 755 CB SER A 54 2.149 2.176 13.466 1.00 0.00 C ATOM 756 OG SER A 54 2.837 2.390 14.686 1.00 0.00 O ATOM 0 H SER A 54 -0.058 2.315 14.644 1.00 0.00 H new ATOM 0 HA SER A 54 1.498 4.217 13.629 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.645 1.210 13.494 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.864 2.139 12.644 1.00 0.00 H new ATOM 0 HG SER A 54 3.484 1.668 14.828 1.00 0.00 H new ATOM 762 N ARG A 55 0.084 2.634 11.118 1.00 0.00 N ATOM 763 CA ARG A 55 -0.191 2.707 9.688 1.00 0.00 C ATOM 764 C ARG A 55 -0.235 4.157 9.217 1.00 0.00 C ATOM 765 O ARG A 55 0.394 4.515 8.221 1.00 0.00 O ATOM 766 CB ARG A 55 -1.517 2.014 9.367 1.00 0.00 C ATOM 767 CG ARG A 55 -1.402 0.503 9.251 1.00 0.00 C ATOM 768 CD ARG A 55 -2.593 -0.091 8.514 1.00 0.00 C ATOM 769 NE ARG A 55 -3.851 0.172 9.207 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.635 1.210 8.938 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.291 2.078 7.997 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.765 1.382 9.612 1.00 0.00 N ATOM 0 H ARG A 55 -0.422 1.896 11.608 1.00 0.00 H new ATOM 0 HA ARG A 55 0.615 2.196 9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.241 2.256 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.909 2.413 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.482 0.246 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.333 0.065 10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.640 0.324 7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.455 -1.167 8.409 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.144 -0.477 9.938 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.423 1.950 7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.895 2.874 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.032 0.717 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.366 2.179 9.405 1.00 0.00 H new ATOM 786 N ILE A 56 -0.983 4.986 9.938 1.00 0.00 N ATOM 787 CA ILE A 56 -1.108 6.396 9.593 1.00 0.00 C ATOM 788 C ILE A 56 -0.077 7.238 10.337 1.00 0.00 C ATOM 789 O ILE A 56 0.114 7.082 11.543 1.00 0.00 O ATOM 790 CB ILE A 56 -2.517 6.931 9.912 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.564 6.213 9.058 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.578 8.434 9.681 1.00 0.00 C ATOM 793 CD1 ILE A 56 -4.107 4.955 9.699 1.00 0.00 C ATOM 0 H ILE A 56 -1.511 4.705 10.764 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.932 6.475 8.520 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.735 6.735 10.962 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.390 6.896 8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.123 5.959 8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.580 8.797 9.911 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.855 8.931 10.327 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.343 8.652 8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.844 4.499 9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.291 4.253 9.872 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.578 5.205 10.650 1.00 0.00 H new ATOM 805 N LYS A 57 0.585 8.132 9.610 1.00 0.00 N ATOM 806 CA LYS A 57 1.595 9.002 10.200 1.00 0.00 C ATOM 807 C LYS A 57 1.626 10.355 9.497 1.00 0.00 C ATOM 808 O LYS A 57 1.654 10.425 8.269 1.00 0.00 O ATOM 809 CB LYS A 57 2.974 8.343 10.122 1.00 0.00 C ATOM 810 CG LYS A 57 4.113 9.266 10.519 1.00 0.00 C ATOM 811 CD LYS A 57 4.395 9.194 12.010 1.00 0.00 C ATOM 812 CE LYS A 57 5.860 9.467 12.314 1.00 0.00 C ATOM 813 NZ LYS A 57 6.680 8.225 12.253 1.00 0.00 N ATOM 0 H LYS A 57 0.440 8.273 8.610 1.00 0.00 H new ATOM 0 HA LYS A 57 1.334 9.162 11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.985 7.466 10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.142 7.990 9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.012 8.996 9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.865 10.291 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.772 9.919 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.122 8.208 12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.249 10.195 11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.948 9.912 13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.672 8.453 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.325 7.540 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.616 7.813 11.300 1.00 0.00 H new ATOM 827 N GLN A 58 1.622 11.426 10.284 1.00 0.00 N ATOM 828 CA GLN A 58 1.650 12.777 9.736 1.00 0.00 C ATOM 829 C GLN A 58 3.083 13.283 9.608 1.00 0.00 C ATOM 830 O GLN A 58 3.679 13.744 10.582 1.00 0.00 O ATOM 831 CB GLN A 58 0.839 13.726 10.619 1.00 0.00 C ATOM 832 CG GLN A 58 -0.629 13.811 10.233 1.00 0.00 C ATOM 833 CD GLN A 58 -1.283 15.094 10.705 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.009 15.577 11.804 1.00 0.00 O ATOM 835 NE2 GLN A 58 -2.155 15.656 9.875 1.00 0.00 N ATOM 0 H GLN A 58 1.600 11.384 11.303 1.00 0.00 H new ATOM 0 HA GLN A 58 1.204 12.747 8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.915 13.398 11.656 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.278 14.722 10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.721 13.738 9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.162 12.959 10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.353 15.222 8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.626 16.521 10.140 1.00 0.00 H new ATOM 844 N LEU A 59 3.632 13.192 8.402 1.00 0.00 N ATOM 845 CA LEU A 59 4.996 13.641 8.146 1.00 0.00 C ATOM 846 C LEU A 59 5.125 15.145 8.364 1.00 0.00 C ATOM 847 O LEU A 59 5.902 15.595 9.205 1.00 0.00 O ATOM 848 CB LEU A 59 5.413 13.283 6.718 1.00 0.00 C ATOM 849 CG LEU A 59 5.483 11.791 6.393 1.00 0.00 C ATOM 850 CD1 LEU A 59 6.312 11.056 7.435 1.00 0.00 C ATOM 851 CD2 LEU A 59 4.084 11.197 6.307 1.00 0.00 C ATOM 0 H LEU A 59 3.153 12.811 7.586 1.00 0.00 H new ATOM 0 HA LEU A 59 5.657 13.133 8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.712 13.752 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.392 13.723 6.526 1.00 0.00 H new ATOM 0 HG LEU A 59 5.967 11.673 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.351 9.995 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.323 11.463 7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.857 11.183 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.154 10.134 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.574 11.327 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.521 11.704 5.523 1.00 0.00 H new ATOM 863 N GLU A 60 4.356 15.916 7.602 1.00 0.00 N ATOM 864 CA GLU A 60 4.384 17.370 7.713 1.00 0.00 C ATOM 865 C GLU A 60 2.970 17.944 7.690 1.00 0.00 C ATOM 866 O GLU A 60 1.994 17.211 7.544 1.00 0.00 O ATOM 867 CB GLU A 60 5.211 17.975 6.577 1.00 0.00 C ATOM 868 CG GLU A 60 6.626 17.426 6.496 1.00 0.00 C ATOM 869 CD GLU A 60 7.566 18.088 7.485 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.797 19.309 7.359 1.00 0.00 O ATOM 871 OE2 GLU A 60 8.070 17.384 8.385 1.00 0.00 O ATOM 0 H GLU A 60 3.706 15.559 6.902 1.00 0.00 H new ATOM 0 HA GLU A 60 4.847 17.628 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.703 17.789 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.257 19.056 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.606 16.352 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.009 17.567 5.485 1.00 0.00 H new ATOM 878 N ASN A 61 2.871 19.262 7.836 1.00 0.00 N ATOM 879 CA ASN A 61 1.578 19.936 7.832 1.00 0.00 C ATOM 880 C ASN A 61 0.775 19.567 6.588 1.00 0.00 C ATOM 881 O ASN A 61 1.181 19.861 5.465 1.00 0.00 O ATOM 882 CB ASN A 61 1.769 21.452 7.898 1.00 0.00 C ATOM 883 CG ASN A 61 1.875 22.082 6.523 1.00 0.00 C ATOM 884 OD1 ASN A 61 1.021 22.874 6.124 1.00 0.00 O ATOM 885 ND2 ASN A 61 2.926 21.731 5.790 1.00 0.00 N ATOM 0 H ASN A 61 3.670 19.884 7.958 1.00 0.00 H new ATOM 0 HA ASN A 61 1.023 19.608 8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.932 21.898 8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.670 21.677 8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.050 22.122 4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.609 21.071 6.161 1.00 0.00 H new ATOM 892 N GLY A 62 -0.368 18.920 6.798 1.00 0.00 N ATOM 893 CA GLY A 62 -1.210 18.522 5.685 1.00 0.00 C ATOM 894 C GLY A 62 -0.759 17.219 5.054 1.00 0.00 C ATOM 895 O GLY A 62 -1.573 16.466 4.520 1.00 0.00 O ATOM 0 H GLY A 62 -0.725 18.665 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.239 18.418 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.205 19.308 4.930 1.00 0.00 H new ATOM 899 N VAL A 63 0.542 16.953 5.115 1.00 0.00 N ATOM 900 CA VAL A 63 1.099 15.732 4.545 1.00 0.00 C ATOM 901 C VAL A 63 0.865 14.539 5.464 1.00 0.00 C ATOM 902 O VAL A 63 1.438 14.457 6.551 1.00 0.00 O ATOM 903 CB VAL A 63 2.610 15.875 4.282 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.157 14.622 3.616 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.889 17.105 3.432 1.00 0.00 C ATOM 0 H VAL A 63 1.229 17.566 5.553 1.00 0.00 H new ATOM 0 HA VAL A 63 0.587 15.562 3.598 1.00 0.00 H new ATOM 0 HB VAL A 63 3.117 16.000 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.226 14.742 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.991 13.763 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.647 14.462 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.961 17.190 3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.371 17.013 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.535 17.995 3.952 1.00 0.00 H new ATOM 915 N LEU A 64 0.019 13.615 5.021 1.00 0.00 N ATOM 916 CA LEU A 64 -0.292 12.424 5.804 1.00 0.00 C ATOM 917 C LEU A 64 -0.103 11.161 4.971 1.00 0.00 C ATOM 918 O LEU A 64 -0.735 10.994 3.928 1.00 0.00 O ATOM 919 CB LEU A 64 -1.727 12.494 6.327 1.00 0.00 C ATOM 920 CG LEU A 64 -2.306 11.190 6.876 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.044 11.077 8.370 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.797 11.104 6.586 1.00 0.00 C ATOM 0 H LEU A 64 -0.464 13.668 4.124 1.00 0.00 H new ATOM 0 HA LEU A 64 0.394 12.385 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.769 13.247 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.370 12.842 5.519 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.811 10.357 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.463 10.143 8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.970 11.091 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.511 11.916 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.192 10.169 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.308 11.944 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.961 11.137 5.509 1.00 0.00 H new ATOM 934 N GLN A 65 0.769 10.274 5.439 1.00 0.00 N ATOM 935 CA GLN A 65 1.039 9.024 4.738 1.00 0.00 C ATOM 936 C GLN A 65 0.421 7.841 5.476 1.00 0.00 C ATOM 937 O GLN A 65 0.360 7.828 6.705 1.00 0.00 O ATOM 938 CB GLN A 65 2.547 8.816 4.586 1.00 0.00 C ATOM 939 CG GLN A 65 2.912 7.665 3.662 1.00 0.00 C ATOM 940 CD GLN A 65 4.371 7.685 3.254 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.696 7.822 2.074 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.261 7.548 4.230 1.00 0.00 N ATOM 0 H GLN A 65 1.301 10.398 6.301 1.00 0.00 H new ATOM 0 HA GLN A 65 0.587 9.086 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.995 9.733 4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.981 8.634 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.691 6.721 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.288 7.709 2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.947 7.437 5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.258 7.554 4.015 1.00 0.00 H new ATOM 951 N ILE A 66 -0.035 6.850 4.717 1.00 0.00 N ATOM 952 CA ILE A 66 -0.647 5.662 5.300 1.00 0.00 C ATOM 953 C ILE A 66 -0.033 4.390 4.726 1.00 0.00 C ATOM 954 O ILE A 66 -0.305 4.018 3.584 1.00 0.00 O ATOM 955 CB ILE A 66 -2.168 5.638 5.061 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.823 6.875 5.680 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.774 4.367 5.637 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.907 8.052 4.734 1.00 0.00 C ATOM 0 H ILE A 66 0.008 6.846 3.698 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.457 5.702 6.373 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.353 5.651 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.828 6.615 6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.259 7.170 6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.850 4.364 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.325 3.499 5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.582 4.326 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.382 8.892 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.903 8.338 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.496 7.775 3.860 1.00 0.00 H new ATOM 970 N ARG A 67 0.795 3.726 5.526 1.00 0.00 N ATOM 971 CA ARG A 67 1.446 2.494 5.097 1.00 0.00 C ATOM 972 C ARG A 67 0.574 1.281 5.407 1.00 0.00 C ATOM 973 O ARG A 67 -0.358 1.362 6.208 1.00 0.00 O ATOM 974 CB ARG A 67 2.806 2.346 5.783 1.00 0.00 C ATOM 975 CG ARG A 67 3.945 3.007 5.025 1.00 0.00 C ATOM 976 CD ARG A 67 5.135 3.279 5.933 1.00 0.00 C ATOM 977 NE ARG A 67 6.346 3.578 5.173 1.00 0.00 N ATOM 978 CZ ARG A 67 6.974 2.689 4.412 1.00 0.00 C ATOM 979 NH1 ARG A 67 6.507 1.452 4.308 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.071 3.036 3.751 1.00 0.00 N ATOM 0 H ARG A 67 1.031 4.020 6.474 1.00 0.00 H new ATOM 0 HA ARG A 67 1.594 2.547 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.748 2.776 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.029 1.286 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.255 2.366 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.598 3.943 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.904 4.116 6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.311 2.412 6.569 1.00 0.00 H new ATOM 0 HE ARG A 67 6.730 4.521 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.663 1.181 4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.992 0.771 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.433 3.987 3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.552 2.352 3.167 1.00 0.00 H new ATOM 994 N TYR A 68 0.882 0.158 4.768 1.00 0.00 N ATOM 995 CA TYR A 68 0.125 -1.071 4.973 1.00 0.00 C ATOM 996 C TYR A 68 -1.337 -0.882 4.579 1.00 0.00 C ATOM 997 O TYR A 68 -2.243 -1.329 5.281 1.00 0.00 O ATOM 998 CB TYR A 68 0.217 -1.514 6.434 1.00 0.00 C ATOM 999 CG TYR A 68 1.630 -1.531 6.973 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.215 -0.377 7.479 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.379 -2.701 6.976 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.506 -0.388 7.972 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.670 -2.721 7.468 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.229 -1.562 7.965 1.00 0.00 C ATOM 1005 OH TYR A 68 5.514 -1.578 8.455 1.00 0.00 O ATOM 0 H TYR A 68 1.651 0.073 4.103 1.00 0.00 H new ATOM 0 HA TYR A 68 0.557 -1.844 4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.389 -0.846 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.212 -2.511 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.651 0.544 7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.945 -3.610 6.587 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.946 0.518 8.361 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.238 -3.639 7.463 1.00 0.00 H new ATOM 0 HH TYR A 68 5.882 -2.483 8.378 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.557 -0.217 3.449 1.00 0.00 N ATOM 1016 CA ALA A 69 -2.907 0.029 2.958 1.00 0.00 C ATOM 1017 C ALA A 69 -3.693 -1.272 2.836 1.00 0.00 C ATOM 1018 O ALA A 69 -3.527 -2.022 1.874 1.00 0.00 O ATOM 1019 CB ALA A 69 -2.859 0.746 1.617 1.00 0.00 C ATOM 0 H ALA A 69 -0.817 0.161 2.857 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.418 0.666 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.874 0.923 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.344 1.699 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.325 0.130 0.894 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.549 -1.535 3.818 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.362 -2.746 3.821 1.00 0.00 C ATOM 1027 C LYS A 70 -6.604 -2.570 2.953 1.00 0.00 C ATOM 1028 O LYS A 70 -6.879 -1.475 2.461 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.772 -3.105 5.251 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.597 -3.257 6.201 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.014 -3.923 7.502 1.00 0.00 C ATOM 1032 CE LYS A 70 -5.603 -2.918 8.479 1.00 0.00 C ATOM 1033 NZ LYS A 70 -6.493 -3.571 9.478 1.00 0.00 N ATOM 0 H LYS A 70 -4.698 -0.926 4.622 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.763 -3.557 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.440 -2.333 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.338 -4.036 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.816 -3.848 5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.171 -2.277 6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.747 -4.702 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.151 -4.410 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.796 -2.399 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.166 -2.164 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.874 -2.852 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.277 -4.045 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.950 -4.272 10.021 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.350 -3.653 2.770 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.565 -3.618 1.963 1.00 0.00 C ATOM 1049 C LEU A 71 -9.624 -2.732 2.611 1.00 0.00 C ATOM 1050 O LEU A 71 -10.214 -1.873 1.957 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.114 -5.032 1.771 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.276 -5.965 0.896 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.802 -7.390 0.977 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.266 -5.479 -0.546 1.00 0.00 C ATOM 0 H LEU A 71 -7.135 -4.567 3.169 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.313 -3.198 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.228 -5.492 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.111 -4.957 1.336 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.251 -5.957 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.193 -8.039 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.755 -7.737 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.836 -7.416 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.665 -6.155 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.286 -5.456 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.840 -4.477 -0.589 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.859 -2.947 3.902 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.845 -2.159 4.618 1.00 0.00 C ATOM 1068 C GLY A 72 -10.590 -0.669 4.506 1.00 0.00 C ATOM 1069 O GLY A 72 -11.528 0.127 4.461 1.00 0.00 O ATOM 0 H GLY A 72 -9.384 -3.653 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.838 -2.385 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.842 -2.447 5.669 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.317 -0.291 4.461 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.941 1.114 4.354 1.00 0.00 C ATOM 1075 C ASP A 73 -9.692 1.793 3.213 1.00 0.00 C ATOM 1076 O ASP A 73 -10.085 2.955 3.317 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.432 1.245 4.138 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.648 1.101 5.427 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.428 -0.049 5.862 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.254 2.137 6.002 1.00 0.00 O ATOM 0 H ASP A 73 -8.529 -0.937 4.497 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.211 1.609 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.102 0.486 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.215 2.215 3.691 1.00 0.00 H new ATOM 1085 N THR A 74 -9.887 1.059 2.121 1.00 0.00 N ATOM 1086 CA THR A 74 -10.588 1.590 0.959 1.00 0.00 C ATOM 1087 C THR A 74 -11.728 2.511 1.378 1.00 0.00 C ATOM 1088 O THR A 74 -12.699 2.073 1.994 1.00 0.00 O ATOM 1089 CB THR A 74 -11.153 0.460 0.079 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.108 -0.450 -0.282 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.799 1.023 -1.178 1.00 0.00 C ATOM 0 H THR A 74 -9.569 0.095 2.018 1.00 0.00 H new ATOM 0 HA THR A 74 -9.858 2.159 0.383 1.00 0.00 H new ATOM 0 HB THR A 74 -11.913 -0.070 0.652 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.120 -1.219 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.191 0.205 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.614 1.691 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.056 1.576 -1.752 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.604 3.791 1.040 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.632 4.754 1.389 1.00 0.00 C ATOM 1101 C GLY A 75 -12.458 6.076 0.667 1.00 0.00 C ATOM 1102 O GLY A 75 -11.738 6.157 -0.328 1.00 0.00 O ATOM 0 H GLY A 75 -10.810 4.178 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.611 4.339 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.614 4.926 2.465 1.00 0.00 H new ATOM 1106 N ARG A 76 -13.119 7.113 1.169 1.00 0.00 N ATOM 1107 CA ARG A 76 -13.036 8.437 0.564 1.00 0.00 C ATOM 1108 C ARG A 76 -12.363 9.427 1.511 1.00 0.00 C ATOM 1109 O ARG A 76 -12.957 9.858 2.499 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.433 8.940 0.192 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.427 10.012 -0.885 1.00 0.00 C ATOM 1112 CD ARG A 76 -15.829 10.535 -1.158 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.763 9.457 -1.469 1.00 0.00 N ATOM 1114 CZ ARG A 76 -17.482 8.819 -0.552 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -17.373 9.149 0.728 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -18.311 7.848 -0.913 1.00 0.00 N ATOM 0 H ARG A 76 -13.718 7.062 1.993 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.433 8.358 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.034 8.097 -0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.917 9.336 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.784 10.836 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.004 9.604 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.187 11.085 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.798 11.239 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.869 9.178 -2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.736 9.894 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.926 8.658 1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.397 7.590 -1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.862 7.359 -0.207 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.121 9.781 1.202 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.366 10.717 2.027 1.00 0.00 C ATOM 1132 C TYR A 77 -10.649 12.158 1.614 1.00 0.00 C ATOM 1133 O TYR A 77 -10.420 12.546 0.468 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.867 10.430 1.920 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.446 9.151 2.608 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.628 7.917 1.995 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.866 9.176 3.870 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.245 6.746 2.620 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.479 8.010 4.502 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.670 6.798 3.873 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.287 5.634 4.499 1.00 0.00 O ATOM 0 H TYR A 77 -10.616 9.434 0.387 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.682 10.585 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.590 10.375 0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.314 11.264 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.076 7.873 1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.715 10.124 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.395 5.795 2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.029 8.048 5.483 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.899 5.845 5.374 1.00 0.00 H new ATOM 1151 N THR A 78 -11.150 12.950 2.558 1.00 0.00 N ATOM 1152 CA THR A 78 -11.466 14.348 2.294 1.00 0.00 C ATOM 1153 C THR A 78 -10.618 15.275 3.157 1.00 0.00 C ATOM 1154 O THR A 78 -10.427 15.029 4.348 1.00 0.00 O ATOM 1155 CB THR A 78 -12.955 14.645 2.551 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.770 13.873 1.661 1.00 0.00 O ATOM 1157 CG2 THR A 78 -13.252 16.126 2.362 1.00 0.00 C ATOM 0 H THR A 78 -11.345 12.646 3.512 1.00 0.00 H new ATOM 0 HA THR A 78 -11.243 14.530 1.243 1.00 0.00 H new ATOM 0 HB THR A 78 -13.184 14.373 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.715 14.067 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.310 16.312 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.652 16.709 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.007 16.419 1.341 1.00 0.00 H new ATOM 1165 N CYS A 79 -10.112 16.343 2.549 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.284 17.309 3.262 1.00 0.00 C ATOM 1167 C CYS A 79 -10.124 18.481 3.763 1.00 0.00 C ATOM 1168 O CYS A 79 -11.097 18.879 3.121 1.00 0.00 O ATOM 1169 CB CYS A 79 -8.165 17.821 2.354 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.426 19.394 2.899 1.00 0.00 S ATOM 0 H CYS A 79 -10.261 16.561 1.564 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.843 16.807 4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.382 17.064 2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.559 17.947 1.346 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.741 19.028 4.911 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.457 20.155 5.496 1.00 0.00 C ATOM 1177 C ILE A 80 -9.493 21.253 5.931 1.00 0.00 C ATOM 1178 O ILE A 80 -8.430 20.977 6.486 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.299 19.717 6.709 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.140 18.488 6.358 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.189 20.859 7.176 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.441 17.177 6.641 1.00 0.00 C ATOM 0 H ILE A 80 -8.939 18.709 5.455 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.121 20.543 4.723 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.625 19.451 7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.072 18.523 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.405 18.529 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.778 20.534 8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.570 21.709 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.858 21.153 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.096 16.349 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.523 17.121 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.200 17.115 7.702 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.872 22.501 5.674 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.043 23.642 6.042 1.00 0.00 C ATOM 1196 C ALA A 81 -9.850 24.680 6.815 1.00 0.00 C ATOM 1197 O ALA A 81 -10.732 25.334 6.259 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.426 24.268 4.800 1.00 0.00 C ATOM 0 H ALA A 81 -10.748 22.747 5.212 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.243 23.285 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.809 25.119 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.808 23.530 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.218 24.605 4.131 1.00 0.00 H new ATOM 1204 N SER A 82 -9.541 24.826 8.099 1.00 0.00 N ATOM 1205 CA SER A 82 -10.241 25.782 8.950 1.00 0.00 C ATOM 1206 C SER A 82 -9.403 27.040 9.156 1.00 0.00 C ATOM 1207 O SER A 82 -8.230 26.967 9.524 1.00 0.00 O ATOM 1208 CB SER A 82 -10.571 25.148 10.302 1.00 0.00 C ATOM 1209 OG SER A 82 -11.107 26.106 11.198 1.00 0.00 O ATOM 0 H SER A 82 -8.811 24.295 8.573 1.00 0.00 H new ATOM 0 HA SER A 82 -11.170 26.062 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.286 24.337 10.162 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.670 24.709 10.731 1.00 0.00 H new ATOM 0 HG SER A 82 -11.311 25.675 12.054 1.00 0.00 H new ATOM 1215 N THR A 83 -10.014 28.197 8.917 1.00 0.00 N ATOM 1216 CA THR A 83 -9.326 29.472 9.076 1.00 0.00 C ATOM 1217 C THR A 83 -10.277 30.551 9.580 1.00 0.00 C ATOM 1218 O THR A 83 -11.498 30.441 9.462 1.00 0.00 O ATOM 1219 CB THR A 83 -8.696 29.938 7.750 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.503 29.512 6.647 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.287 29.385 7.596 1.00 0.00 C ATOM 0 H THR A 83 -10.984 28.277 8.613 1.00 0.00 H new ATOM 0 HA THR A 83 -8.536 29.316 9.811 1.00 0.00 H new ATOM 0 HB THR A 83 -8.643 31.027 7.762 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.441 29.467 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.863 29.728 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.667 29.735 8.421 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.321 28.296 7.604 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.708 31.620 10.157 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.488 32.741 10.690 1.00 0.00 C ATOM 1231 C PRO A 84 -11.148 33.563 9.589 1.00 0.00 C ATOM 1232 O PRO A 84 -11.768 34.593 9.857 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.443 33.579 11.430 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.153 33.254 10.761 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.259 31.817 10.331 1.00 0.00 C ATOM 0 HA PRO A 84 -11.309 32.403 11.322 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.668 34.643 11.360 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.413 33.328 12.490 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.983 33.906 9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.314 33.397 11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.714 31.633 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.849 31.141 11.082 1.00 0.00 H new ATOM 1243 N SER A 85 -11.012 33.102 8.350 1.00 0.00 N ATOM 1244 CA SER A 85 -11.593 33.798 7.207 1.00 0.00 C ATOM 1245 C SER A 85 -12.636 32.926 6.514 1.00 0.00 C ATOM 1246 O SER A 85 -13.592 33.431 5.926 1.00 0.00 O ATOM 1247 CB SER A 85 -10.499 34.192 6.214 1.00 0.00 C ATOM 1248 OG SER A 85 -9.709 35.254 6.720 1.00 0.00 O ATOM 0 H SER A 85 -10.505 32.250 8.112 1.00 0.00 H new ATOM 0 HA SER A 85 -12.084 34.700 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.865 33.330 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.952 34.490 5.268 1.00 0.00 H new ATOM 0 HG SER A 85 -9.016 35.486 6.067 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.444 31.613 6.588 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.375 30.691 5.963 1.00 0.00 C ATOM 1256 C GLY A 86 -12.950 29.244 6.118 1.00 0.00 C ATOM 1257 O GLY A 86 -12.131 28.920 6.978 1.00 0.00 O ATOM 0 H GLY A 86 -11.661 31.171 7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.364 30.825 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.461 30.930 4.903 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.510 28.372 5.286 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.186 26.951 5.337 1.00 0.00 C ATOM 1263 C GLU A 87 -13.558 26.260 4.028 1.00 0.00 C ATOM 1264 O GLU A 87 -14.622 26.509 3.464 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.913 26.281 6.505 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.397 24.888 6.825 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.474 23.983 7.392 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -14.717 24.043 8.615 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -15.073 23.214 6.611 1.00 0.00 O ATOM 0 H GLU A 87 -14.190 28.624 4.569 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.110 26.855 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.814 26.908 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.976 26.221 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.990 24.439 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.578 24.963 7.540 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.671 25.392 3.552 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.906 24.664 2.311 1.00 0.00 C ATOM 1278 C ALA A 88 -12.517 23.196 2.454 1.00 0.00 C ATOM 1279 O ALA A 88 -11.913 22.797 3.450 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.135 25.307 1.168 1.00 0.00 C ATOM 0 H ALA A 88 -11.784 25.176 4.007 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.972 24.711 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.320 24.753 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.463 26.339 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.069 25.290 1.394 1.00 0.00 H new ATOM 1286 N THR A 89 -12.868 22.396 1.452 1.00 0.00 N ATOM 1287 CA THR A 89 -12.558 20.972 1.467 1.00 0.00 C ATOM 1288 C THR A 89 -12.261 20.459 0.062 1.00 0.00 C ATOM 1289 O THR A 89 -12.490 21.158 -0.925 1.00 0.00 O ATOM 1290 CB THR A 89 -13.715 20.151 2.067 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.896 20.317 1.274 1.00 0.00 O ATOM 1292 CG2 THR A 89 -13.996 20.579 3.499 1.00 0.00 C ATOM 0 H THR A 89 -13.367 22.710 0.620 1.00 0.00 H new ATOM 0 HA THR A 89 -11.673 20.848 2.091 1.00 0.00 H new ATOM 0 HB THR A 89 -13.423 19.101 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.626 19.791 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.817 19.985 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.104 20.425 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.269 21.634 3.517 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.751 19.236 -0.020 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.424 18.630 -1.306 1.00 0.00 C ATOM 1302 C TRP A 90 -12.008 17.225 -1.410 1.00 0.00 C ATOM 1303 O TRP A 90 -12.325 16.598 -0.399 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.907 18.580 -1.498 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.496 18.311 -2.914 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -9.157 17.102 -3.453 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.380 19.270 -3.970 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.837 17.253 -4.781 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.967 18.573 -5.122 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.587 20.649 -4.056 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.756 19.211 -6.342 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.377 21.281 -5.267 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.965 20.562 -6.397 1.00 0.00 C ATOM 0 H TRP A 90 -11.555 18.645 0.788 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.863 19.245 -2.092 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.476 19.528 -1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.492 17.805 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.143 16.166 -2.915 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.549 16.504 -5.410 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.906 21.212 -3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.439 18.659 -7.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.533 22.347 -5.344 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.809 21.084 -7.329 1.00 0.00 H new ATOM 1324 N SER A 91 -12.147 16.736 -2.638 1.00 0.00 N ATOM 1325 CA SER A 91 -12.696 15.406 -2.873 1.00 0.00 C ATOM 1326 C SER A 91 -11.609 14.444 -3.343 1.00 0.00 C ATOM 1327 O SER A 91 -10.966 14.670 -4.368 1.00 0.00 O ATOM 1328 CB SER A 91 -13.819 15.471 -3.910 1.00 0.00 C ATOM 1329 OG SER A 91 -13.389 16.135 -5.086 1.00 0.00 O ATOM 0 H SER A 91 -11.887 17.241 -3.485 1.00 0.00 H new ATOM 0 HA SER A 91 -13.101 15.036 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.148 14.462 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.678 15.992 -3.488 1.00 0.00 H new ATOM 0 HG SER A 91 -12.451 15.913 -5.263 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.410 13.371 -2.586 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.403 12.373 -2.925 1.00 0.00 C ATOM 1337 C ALA A 92 -10.822 10.986 -2.449 1.00 0.00 C ATOM 1338 O ALA A 92 -11.479 10.845 -1.418 1.00 0.00 O ATOM 1339 CB ALA A 92 -9.058 12.755 -2.324 1.00 0.00 C ATOM 0 H ALA A 92 -11.933 13.170 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.309 12.343 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.315 12.001 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.746 13.723 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.148 12.815 -1.239 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.439 9.965 -3.208 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.778 8.589 -2.866 1.00 0.00 C ATOM 1347 C TYR A 93 -9.638 7.641 -3.225 1.00 0.00 C ATOM 1348 O TYR A 93 -9.092 7.698 -4.327 1.00 0.00 O ATOM 1349 CB TYR A 93 -12.057 8.162 -3.588 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.666 6.891 -3.041 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -11.951 5.700 -3.038 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.956 6.881 -2.526 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.503 4.536 -2.540 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.516 5.722 -2.024 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.786 4.552 -2.034 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.340 3.395 -1.536 1.00 0.00 O ATOM 0 H TYR A 93 -9.894 10.065 -4.064 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.942 8.540 -1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.790 8.966 -3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.838 8.023 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.946 5.684 -3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.531 7.795 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.933 3.619 -2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.520 5.732 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.249 3.578 -1.218 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.283 6.771 -2.286 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.209 5.809 -2.502 1.00 0.00 C ATOM 1368 C ILE A 94 -8.760 4.395 -2.652 1.00 0.00 C ATOM 1369 O ILE A 94 -9.748 4.032 -2.015 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.192 5.832 -1.347 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.577 7.226 -1.207 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.108 4.789 -1.575 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.827 7.682 -2.439 1.00 0.00 C ATOM 0 H ILE A 94 -9.723 6.712 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.705 6.100 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.712 5.591 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.368 7.943 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.897 7.230 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.396 4.818 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.561 3.799 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.589 5.002 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.418 8.678 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.014 6.987 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.508 7.710 -3.290 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.112 3.600 -3.499 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.536 2.225 -3.731 1.00 0.00 C ATOM 1387 C GLU A 95 -7.432 1.243 -3.350 1.00 0.00 C ATOM 1388 O GLU A 95 -6.259 1.462 -3.654 1.00 0.00 O ATOM 1389 CB GLU A 95 -8.925 2.029 -5.198 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.377 0.615 -5.524 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.063 0.518 -6.873 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -11.161 1.095 -7.022 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -9.502 -0.133 -7.779 1.00 0.00 O ATOM 0 H GLU A 95 -7.292 3.885 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.405 2.029 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.726 2.724 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.073 2.284 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.514 -0.050 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.059 0.268 -4.748 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.816 0.159 -2.683 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.860 -0.857 -2.260 1.00 0.00 C ATOM 1402 C VAL A 96 -7.161 -2.201 -2.915 1.00 0.00 C ATOM 1403 O VAL A 96 -8.032 -2.942 -2.461 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.866 -1.032 -0.730 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.808 -2.038 -0.303 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.649 0.307 -0.041 1.00 0.00 C ATOM 0 H VAL A 96 -8.783 -0.038 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.874 -0.514 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.841 -1.417 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.827 -2.148 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.013 -3.002 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.825 -1.686 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.656 0.165 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.688 0.722 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.447 0.994 -0.322 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.435 -2.507 -3.986 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.625 -3.762 -4.704 1.00 0.00 C ATOM 1418 C GLN A 97 -5.704 -4.847 -4.157 1.00 0.00 C ATOM 1419 O GLN A 97 -4.604 -4.560 -3.684 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.367 -3.563 -6.198 1.00 0.00 C ATOM 1421 CG GLN A 97 -4.965 -3.066 -6.513 1.00 0.00 C ATOM 1422 CD GLN A 97 -4.567 -3.315 -7.954 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -4.819 -4.389 -8.502 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -3.943 -2.323 -8.577 1.00 0.00 N ATOM 0 H GLN A 97 -5.711 -1.904 -4.375 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.657 -4.081 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.533 -4.508 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.093 -2.851 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.907 -1.998 -6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.252 -3.560 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.754 -1.450 -8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.652 -2.434 -9.548 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.160 -6.093 -4.224 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.376 -7.221 -3.733 1.00 0.00 C ATOM 1435 C GLU A 98 -4.552 -7.841 -4.858 1.00 0.00 C ATOM 1436 O GLU A 98 -4.997 -7.906 -6.005 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.293 -8.278 -3.115 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.550 -9.338 -2.320 1.00 0.00 C ATOM 1439 CD GLU A 98 -6.464 -10.441 -1.822 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -7.037 -11.163 -2.666 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -6.607 -10.583 -0.590 1.00 0.00 O ATOM 0 H GLU A 98 -7.068 -6.348 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.694 -6.851 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.014 -7.785 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.861 -8.763 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.768 -9.773 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.056 -8.869 -1.469 1.00 0.00 H new ATOM 1448 N PHE A 99 -3.349 -8.295 -4.522 1.00 0.00 N ATOM 1449 CA PHE A 99 -2.462 -8.908 -5.503 1.00 0.00 C ATOM 1450 C PHE A 99 -2.758 -10.398 -5.647 1.00 0.00 C ATOM 1451 O PHE A 99 -1.901 -11.175 -6.069 1.00 0.00 O ATOM 1452 CB PHE A 99 -1.001 -8.704 -5.099 1.00 0.00 C ATOM 1453 CG PHE A 99 -0.063 -8.607 -6.269 1.00 0.00 C ATOM 1454 CD1 PHE A 99 0.476 -9.749 -6.838 1.00 0.00 C ATOM 1455 CD2 PHE A 99 0.278 -7.373 -6.800 1.00 0.00 C ATOM 1456 CE1 PHE A 99 1.339 -9.662 -7.914 1.00 0.00 C ATOM 1457 CE2 PHE A 99 1.141 -7.280 -7.875 1.00 0.00 C ATOM 1458 CZ PHE A 99 1.671 -8.426 -8.434 1.00 0.00 C ATOM 0 H PHE A 99 -2.966 -8.250 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.636 -8.426 -6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.921 -7.795 -4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.690 -9.532 -4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.219 -10.718 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.136 -6.474 -6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.754 -10.560 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.401 -6.312 -8.278 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.344 -8.356 -9.276 1.00 0.00 H new ATOM 1468 N GLY A 100 -3.978 -10.791 -5.293 1.00 0.00 N ATOM 1469 CA GLY A 100 -4.366 -12.186 -5.389 1.00 0.00 C ATOM 1470 C GLY A 100 -4.109 -12.948 -4.104 1.00 0.00 C ATOM 1471 O GLY A 100 -4.917 -13.783 -3.697 1.00 0.00 O ATOM 0 H GLY A 100 -4.705 -10.168 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.425 -12.249 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.817 -12.658 -6.204 1.00 0.00 H new ATOM 1475 N VAL A 101 -2.979 -12.663 -3.464 1.00 0.00 N ATOM 1476 CA VAL A 101 -2.617 -13.329 -2.218 1.00 0.00 C ATOM 1477 C VAL A 101 -3.853 -13.638 -1.381 1.00 0.00 C ATOM 1478 O VAL A 101 -4.680 -12.769 -1.105 1.00 0.00 O ATOM 1479 CB VAL A 101 -1.648 -12.470 -1.384 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -2.260 -11.110 -1.086 1.00 0.00 C ATOM 1481 CG2 VAL A 101 -1.273 -13.189 -0.097 1.00 0.00 C ATOM 0 H VAL A 101 -2.299 -11.976 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.123 -14.262 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.739 -12.312 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.561 -10.518 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.473 -10.594 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.186 -11.242 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.588 -12.568 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.172 -13.379 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.790 -14.136 -0.337 1.00 0.00 H new ATOM 1491 N PRO A 102 -3.984 -14.907 -0.966 1.00 0.00 N ATOM 1492 CA PRO A 102 -5.116 -15.360 -0.153 1.00 0.00 C ATOM 1493 C PRO A 102 -5.075 -14.797 1.264 1.00 0.00 C ATOM 1494 O PRO A 102 -4.002 -14.567 1.820 1.00 0.00 O ATOM 1495 CB PRO A 102 -4.949 -16.882 -0.129 1.00 0.00 C ATOM 1496 CG PRO A 102 -3.493 -17.106 -0.351 1.00 0.00 C ATOM 1497 CD PRO A 102 -3.037 -15.995 -1.257 1.00 0.00 C ATOM 0 HA PRO A 102 -6.070 -15.028 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.273 -17.301 0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.546 -17.358 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.947 -17.089 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.313 -18.080 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.009 -15.700 -1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.074 -16.291 -2.305 1.00 0.00 H new ATOM 1505 N VAL A 103 -6.252 -14.578 1.843 1.00 0.00 N ATOM 1506 CA VAL A 103 -6.350 -14.044 3.196 1.00 0.00 C ATOM 1507 C VAL A 103 -5.375 -14.744 4.136 1.00 0.00 C ATOM 1508 O VAL A 103 -5.452 -15.956 4.335 1.00 0.00 O ATOM 1509 CB VAL A 103 -7.778 -14.189 3.755 1.00 0.00 C ATOM 1510 CG1 VAL A 103 -7.855 -13.644 5.172 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -8.778 -13.486 2.849 1.00 0.00 C ATOM 0 H VAL A 103 -7.150 -14.762 1.396 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.096 -12.986 3.137 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.032 -15.249 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.871 -13.755 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.167 -14.197 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.582 -12.589 5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.782 -13.598 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.529 -12.427 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.741 -13.929 1.854 1.00 0.00 H new ATOM 1521 N GLN A 104 -4.458 -13.972 4.710 1.00 0.00 N ATOM 1522 CA GLN A 104 -3.467 -14.519 5.629 1.00 0.00 C ATOM 1523 C GLN A 104 -3.235 -13.575 6.805 1.00 0.00 C ATOM 1524 O GLN A 104 -2.764 -12.449 6.645 1.00 0.00 O ATOM 1525 CB GLN A 104 -2.148 -14.774 4.898 1.00 0.00 C ATOM 1526 CG GLN A 104 -2.167 -16.021 4.028 1.00 0.00 C ATOM 1527 CD GLN A 104 -0.843 -16.265 3.329 1.00 0.00 C ATOM 1528 OE1 GLN A 104 0.153 -15.598 3.611 1.00 0.00 O ATOM 1529 NE2 GLN A 104 -0.826 -17.225 2.413 1.00 0.00 N ATOM 0 H GLN A 104 -4.381 -12.967 4.555 1.00 0.00 H new ATOM 0 HA GLN A 104 -3.850 -15.464 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.914 -13.910 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.347 -14.865 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.413 -16.886 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -2.956 -15.927 3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.675 -17.753 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.036 -17.435 1.910 1.00 0.00 H new ATOM 1538 N PRO A 105 -3.574 -14.043 8.015 1.00 0.00 N ATOM 1539 CA PRO A 105 -3.411 -13.256 9.242 1.00 0.00 C ATOM 1540 C PRO A 105 -1.946 -13.064 9.618 1.00 0.00 C ATOM 1541 O PRO A 105 -1.070 -13.826 9.207 1.00 0.00 O ATOM 1542 CB PRO A 105 -4.130 -14.097 10.300 1.00 0.00 C ATOM 1543 CG PRO A 105 -4.074 -15.491 9.778 1.00 0.00 C ATOM 1544 CD PRO A 105 -4.141 -15.375 8.280 1.00 0.00 C ATOM 0 HA PRO A 105 -3.810 -12.247 9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.639 -14.017 11.270 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -5.160 -13.766 10.436 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.156 -15.988 10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.904 -16.085 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.566 -16.161 7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.165 -15.455 7.916 1.00 0.00 H new ATOM 1552 N PRO A 106 -1.671 -12.023 10.417 1.00 0.00 N ATOM 1553 CA PRO A 106 -0.312 -11.708 10.867 1.00 0.00 C ATOM 1554 C PRO A 106 0.224 -12.736 11.857 1.00 0.00 C ATOM 1555 O PRO A 106 -0.460 -13.703 12.194 1.00 0.00 O ATOM 1556 CB PRO A 106 -0.470 -10.345 11.545 1.00 0.00 C ATOM 1557 CG PRO A 106 -1.894 -10.299 11.977 1.00 0.00 C ATOM 1558 CD PRO A 106 -2.666 -11.074 10.945 1.00 0.00 C ATOM 0 HA PRO A 106 0.401 -11.709 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.205 -10.245 12.395 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.239 -9.532 10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -2.016 -10.739 12.967 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.250 -9.271 12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -3.519 -11.590 11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.056 -10.423 10.162 1.00 0.00 H new ATOM 1566 N ARG A 107 1.451 -12.521 12.321 1.00 0.00 N ATOM 1567 CA ARG A 107 2.079 -13.430 13.272 1.00 0.00 C ATOM 1568 C ARG A 107 1.088 -13.857 14.351 1.00 0.00 C ATOM 1569 O ARG A 107 0.317 -13.051 14.874 1.00 0.00 O ATOM 1570 CB ARG A 107 3.297 -12.766 13.917 1.00 0.00 C ATOM 1571 CG ARG A 107 2.955 -11.908 15.124 1.00 0.00 C ATOM 1572 CD ARG A 107 4.085 -10.949 15.464 1.00 0.00 C ATOM 1573 NE ARG A 107 4.074 -9.764 14.611 1.00 0.00 N ATOM 1574 CZ ARG A 107 3.319 -8.697 14.845 1.00 0.00 C ATOM 1575 NH1 ARG A 107 2.518 -8.666 15.901 1.00 0.00 N ATOM 1576 NH2 ARG A 107 3.364 -7.657 14.021 1.00 0.00 N ATOM 0 H ARG A 107 2.030 -11.725 12.053 1.00 0.00 H new ATOM 0 HA ARG A 107 2.403 -14.317 12.728 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.004 -13.539 14.220 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.800 -12.148 13.173 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.045 -11.343 14.924 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.750 -12.549 15.981 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.001 -10.645 16.507 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.040 -11.463 15.358 1.00 0.00 H new ATOM 0 HE ARG A 107 4.680 -9.755 13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.481 -9.463 16.536 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.939 -7.845 16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.979 -7.677 13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.784 -6.838 14.202 1.00 0.00 H new ATOM 1590 N PRO A 108 1.107 -15.153 14.693 1.00 0.00 N ATOM 1591 CA PRO A 108 0.216 -15.716 15.713 1.00 0.00 C ATOM 1592 C PRO A 108 0.569 -15.240 17.118 1.00 0.00 C ATOM 1593 O PRO A 108 1.716 -14.888 17.396 1.00 0.00 O ATOM 1594 CB PRO A 108 0.443 -17.225 15.587 1.00 0.00 C ATOM 1595 CG PRO A 108 1.813 -17.356 15.016 1.00 0.00 C ATOM 1596 CD PRO A 108 1.999 -16.170 14.111 1.00 0.00 C ATOM 0 HA PRO A 108 -0.820 -15.412 15.562 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.369 -17.719 16.556 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.302 -17.685 14.938 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.565 -17.367 15.805 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.918 -18.289 14.463 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.036 -15.834 14.097 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.725 -16.403 13.082 1.00 0.00 H new ATOM 1604 N THR A 109 -0.424 -15.230 18.001 1.00 0.00 N ATOM 1605 CA THR A 109 -0.219 -14.796 19.377 1.00 0.00 C ATOM 1606 C THR A 109 -0.173 -15.987 20.328 1.00 0.00 C ATOM 1607 O THR A 109 -1.175 -16.675 20.526 1.00 0.00 O ATOM 1608 CB THR A 109 -1.330 -13.832 19.834 1.00 0.00 C ATOM 1609 OG1 THR A 109 -1.351 -12.675 18.990 1.00 0.00 O ATOM 1610 CG2 THR A 109 -1.117 -13.407 21.279 1.00 0.00 C ATOM 0 H THR A 109 -1.379 -15.518 17.788 1.00 0.00 H new ATOM 0 HA THR A 109 0.738 -14.275 19.404 1.00 0.00 H new ATOM 0 HB THR A 109 -2.285 -14.352 19.762 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.061 -12.067 19.285 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.914 -12.727 21.579 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.129 -14.287 21.923 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.155 -12.903 21.372 1.00 0.00 H new ATOM 1618 N ASP A 110 0.995 -16.224 20.915 1.00 0.00 N ATOM 1619 CA ASP A 110 1.170 -17.331 21.848 1.00 0.00 C ATOM 1620 C ASP A 110 1.052 -16.850 23.291 1.00 0.00 C ATOM 1621 O ASP A 110 1.557 -15.790 23.661 1.00 0.00 O ATOM 1622 CB ASP A 110 2.529 -18.000 21.630 1.00 0.00 C ATOM 1623 CG ASP A 110 2.882 -18.127 20.161 1.00 0.00 C ATOM 1624 OD1 ASP A 110 2.221 -18.921 19.458 1.00 0.00 O ATOM 1625 OD2 ASP A 110 3.818 -17.432 19.714 1.00 0.00 O ATOM 0 H ASP A 110 1.834 -15.665 20.761 1.00 0.00 H new ATOM 0 HA ASP A 110 0.381 -18.059 21.661 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.301 -17.422 22.138 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.521 -18.990 22.086 1.00 0.00 H new ATOM 1630 N PRO A 111 0.369 -17.647 24.127 1.00 0.00 N ATOM 1631 CA PRO A 111 0.168 -17.323 25.542 1.00 0.00 C ATOM 1632 C PRO A 111 1.459 -17.420 26.348 1.00 0.00 C ATOM 1633 O PRO A 111 1.818 -16.496 27.077 1.00 0.00 O ATOM 1634 CB PRO A 111 -0.835 -18.380 26.009 1.00 0.00 C ATOM 1635 CG PRO A 111 -0.637 -19.527 25.079 1.00 0.00 C ATOM 1636 CD PRO A 111 -0.259 -18.925 23.754 1.00 0.00 C ATOM 0 HA PRO A 111 -0.177 -16.298 25.681 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -0.650 -18.672 27.043 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -1.857 -18.004 25.962 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.145 -20.193 25.442 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.547 -20.121 24.993 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.430 -19.566 23.203 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.131 -18.774 23.118 1.00 0.00 H new ATOM 1644 N ASN A 112 2.154 -18.545 26.211 1.00 0.00 N ATOM 1645 CA ASN A 112 3.405 -18.763 26.927 1.00 0.00 C ATOM 1646 C ASN A 112 4.603 -18.436 26.040 1.00 0.00 C ATOM 1647 O ASN A 112 5.597 -19.164 26.027 1.00 0.00 O ATOM 1648 CB ASN A 112 3.495 -20.211 27.411 1.00 0.00 C ATOM 1649 CG ASN A 112 2.599 -20.478 28.605 1.00 0.00 C ATOM 1650 OD1 ASN A 112 1.397 -20.213 28.565 1.00 0.00 O ATOM 1651 ND2 ASN A 112 3.181 -21.006 29.675 1.00 0.00 N ATOM 0 H ASN A 112 1.871 -19.320 25.610 1.00 0.00 H new ATOM 0 HA ASN A 112 3.421 -18.097 27.790 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.220 -20.881 26.597 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.527 -20.439 27.677 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.629 -21.208 30.508 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.180 -21.209 29.664 1.00 0.00 H new ATOM 1658 N LEU A 113 4.502 -17.337 25.301 1.00 0.00 N ATOM 1659 CA LEU A 113 5.578 -16.913 24.411 1.00 0.00 C ATOM 1660 C LEU A 113 6.884 -16.742 25.179 1.00 0.00 C ATOM 1661 O LEU A 113 6.881 -16.569 26.398 1.00 0.00 O ATOM 1662 CB LEU A 113 5.205 -15.601 23.718 1.00 0.00 C ATOM 1663 CG LEU A 113 4.618 -14.511 24.615 1.00 0.00 C ATOM 1664 CD1 LEU A 113 5.636 -14.071 25.656 1.00 0.00 C ATOM 1665 CD2 LEU A 113 4.157 -13.324 23.781 1.00 0.00 C ATOM 0 H LEU A 113 3.687 -16.724 25.300 1.00 0.00 H new ATOM 0 HA LEU A 113 5.720 -17.688 23.657 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.097 -15.203 23.233 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.485 -15.822 22.930 1.00 0.00 H new ATOM 0 HG LEU A 113 3.752 -14.922 25.134 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.201 -13.295 26.285 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.917 -14.924 26.274 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.521 -13.678 25.156 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.742 -12.558 24.436 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.005 -12.913 23.234 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.393 -13.650 23.075 1.00 0.00 H new ATOM 1677 N ILE A 114 7.999 -16.788 24.457 1.00 0.00 N ATOM 1678 CA ILE A 114 9.312 -16.635 25.070 1.00 0.00 C ATOM 1679 C ILE A 114 9.550 -17.700 26.135 1.00 0.00 C ATOM 1680 O ILE A 114 9.858 -17.403 27.289 1.00 0.00 O ATOM 1681 CB ILE A 114 9.477 -15.243 25.708 1.00 0.00 C ATOM 1682 CG1 ILE A 114 9.371 -14.153 24.639 1.00 0.00 C ATOM 1683 CG2 ILE A 114 10.809 -15.149 26.438 1.00 0.00 C ATOM 1684 CD1 ILE A 114 9.132 -12.771 25.207 1.00 0.00 C ATOM 0 H ILE A 114 8.019 -16.930 23.447 1.00 0.00 H new ATOM 0 HA ILE A 114 10.047 -16.751 24.273 1.00 0.00 H new ATOM 0 HB ILE A 114 8.677 -15.094 26.433 1.00 0.00 H new ATOM 0 HG12 ILE A 114 10.289 -14.142 24.051 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.558 -14.402 23.957 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.911 -14.159 26.883 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.849 -15.906 27.222 1.00 0.00 H new ATOM 0 HG23 ILE A 114 11.623 -15.315 25.732 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.068 -12.049 24.393 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.199 -12.766 25.771 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.957 -12.501 25.867 1.00 0.00 H new ATOM 1696 N PRO A 115 9.405 -18.974 25.740 1.00 0.00 N ATOM 1697 CA PRO A 115 9.601 -20.111 26.644 1.00 0.00 C ATOM 1698 C PRO A 115 11.064 -20.295 27.034 1.00 0.00 C ATOM 1699 O PRO A 115 11.843 -20.892 26.292 1.00 0.00 O ATOM 1700 CB PRO A 115 9.112 -21.306 25.823 1.00 0.00 C ATOM 1701 CG PRO A 115 9.282 -20.886 24.404 1.00 0.00 C ATOM 1702 CD PRO A 115 9.039 -19.403 24.379 1.00 0.00 C ATOM 0 HA PRO A 115 9.070 -19.979 27.587 1.00 0.00 H new ATOM 0 HB2 PRO A 115 9.693 -22.202 26.043 1.00 0.00 H new ATOM 0 HB3 PRO A 115 8.071 -21.539 26.045 1.00 0.00 H new ATOM 0 HG2 PRO A 115 10.283 -21.123 24.044 1.00 0.00 H new ATOM 0 HG3 PRO A 115 8.578 -21.408 23.756 1.00 0.00 H new ATOM 0 HD2 PRO A 115 9.650 -18.908 23.624 1.00 0.00 H new ATOM 0 HD3 PRO A 115 7.999 -19.170 24.150 1.00 0.00 H new ATOM 1710 N SER A 116 11.429 -19.780 28.204 1.00 0.00 N ATOM 1711 CA SER A 116 12.800 -19.886 28.691 1.00 0.00 C ATOM 1712 C SER A 116 12.906 -19.382 30.127 1.00 0.00 C ATOM 1713 O SER A 116 11.987 -18.748 30.644 1.00 0.00 O ATOM 1714 CB SER A 116 13.746 -19.092 27.789 1.00 0.00 C ATOM 1715 OG SER A 116 13.484 -17.702 27.872 1.00 0.00 O ATOM 0 H SER A 116 10.795 -19.286 28.832 1.00 0.00 H new ATOM 0 HA SER A 116 13.087 -20.937 28.671 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.779 -19.288 28.078 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.635 -19.425 26.757 1.00 0.00 H new ATOM 0 HG SER A 116 14.103 -17.217 27.287 1.00 0.00 H new ATOM 1721 N ALA A 117 14.035 -19.671 30.766 1.00 0.00 N ATOM 1722 CA ALA A 117 14.264 -19.246 32.142 1.00 0.00 C ATOM 1723 C ALA A 117 15.755 -19.130 32.440 1.00 0.00 C ATOM 1724 O ALA A 117 16.568 -19.932 31.981 1.00 0.00 O ATOM 1725 CB ALA A 117 13.604 -20.217 33.110 1.00 0.00 C ATOM 0 H ALA A 117 14.805 -20.197 30.353 1.00 0.00 H new ATOM 0 HA ALA A 117 13.817 -18.260 32.271 1.00 0.00 H new ATOM 0 HB1 ALA A 117 13.783 -19.888 34.134 1.00 0.00 H new ATOM 0 HB2 ALA A 117 12.531 -20.247 32.920 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.025 -21.213 32.970 1.00 0.00 H new ATOM 1731 N PRO A 118 16.124 -18.108 33.226 1.00 0.00 N ATOM 1732 CA PRO A 118 17.520 -17.863 33.602 1.00 0.00 C ATOM 1733 C PRO A 118 18.056 -18.922 34.560 1.00 0.00 C ATOM 1734 O PRO A 118 17.432 -19.964 34.761 1.00 0.00 O ATOM 1735 CB PRO A 118 17.467 -16.497 34.291 1.00 0.00 C ATOM 1736 CG PRO A 118 16.071 -16.383 34.800 1.00 0.00 C ATOM 1737 CD PRO A 118 15.208 -17.114 33.809 1.00 0.00 C ATOM 0 HA PRO A 118 18.186 -17.895 32.740 1.00 0.00 H new ATOM 0 HB2 PRO A 118 18.191 -16.435 35.104 1.00 0.00 H new ATOM 0 HB3 PRO A 118 17.701 -15.693 33.594 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.981 -16.821 35.794 1.00 0.00 H new ATOM 0 HG3 PRO A 118 15.770 -15.339 34.884 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.355 -17.589 34.293 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.810 -16.441 33.050 1.00 0.00 H new TER 1745 PRO A 118