USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 764 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 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 31:sc= 0.47 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 85:sc= 0.0123 USER MOD Single : A 40 THR OG1 : rot -56:sc= 0.1 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -2.88! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 0.849 (180deg=-0.0176) USER MOD Single : A 53 GLN : amide:sc= 0.543 K(o=0.54,f=-5.1!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.37) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -57:sc= 0.793! USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.296 USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= -0.131 (180deg=-2.43!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -113:sc= 0.761 USER MOD Single : A 79 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -77:sc= 0.216! USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0472) USER MOD Single : A 97 MET CE :methyl -160:sc= -0.0636 (180deg=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0394) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.178 -28.191 4.435 1.00 0.00 N ATOM 2 CA GLY A 1 -6.423 -28.306 3.699 1.00 0.00 C ATOM 3 C GLY A 1 -7.380 -27.169 3.997 1.00 0.00 C ATOM 4 O GLY A 1 -8.483 -27.392 4.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.559 -28.992 4.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.706 -27.300 4.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.376 -28.199 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.209 -28.326 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.901 -29.254 3.946 1.00 0.00 H new ATOM 8 N SER A 2 -6.957 -25.946 3.693 1.00 0.00 N ATOM 9 CA SER A 2 -7.783 -24.769 3.937 1.00 0.00 C ATOM 10 C SER A 2 -8.889 -24.655 2.892 1.00 0.00 C ATOM 11 O SER A 2 -8.635 -24.748 1.691 1.00 0.00 O ATOM 12 CB SER A 2 -6.921 -23.504 3.925 1.00 0.00 C ATOM 13 OG SER A 2 -6.359 -23.258 5.202 1.00 0.00 O ATOM 0 H SER A 2 -6.048 -25.744 3.277 1.00 0.00 H new ATOM 0 HA SER A 2 -8.245 -24.876 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.125 -23.610 3.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.526 -22.650 3.620 1.00 0.00 H new ATOM 0 HG SER A 2 -5.812 -22.446 5.168 1.00 0.00 H new ATOM 19 N SER A 3 -10.117 -24.452 3.359 1.00 0.00 N ATOM 20 CA SER A 3 -11.263 -24.328 2.467 1.00 0.00 C ATOM 21 C SER A 3 -12.178 -23.191 2.911 1.00 0.00 C ATOM 22 O SER A 3 -12.248 -22.863 4.095 1.00 0.00 O ATOM 23 CB SER A 3 -12.047 -25.641 2.424 1.00 0.00 C ATOM 24 OG SER A 3 -12.870 -25.782 3.569 1.00 0.00 O ATOM 0 H SER A 3 -10.343 -24.370 4.350 1.00 0.00 H new ATOM 0 HA SER A 3 -10.891 -24.102 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.662 -25.672 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.354 -26.480 2.365 1.00 0.00 H new ATOM 0 HG SER A 3 -13.362 -26.628 3.516 1.00 0.00 H new ATOM 30 N GLY A 4 -12.878 -22.593 1.952 1.00 0.00 N ATOM 31 CA GLY A 4 -13.779 -21.499 2.263 1.00 0.00 C ATOM 32 C GLY A 4 -14.367 -20.861 1.020 1.00 0.00 C ATOM 33 O GLY A 4 -13.760 -20.895 -0.050 1.00 0.00 O ATOM 0 H GLY A 4 -12.837 -22.847 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.587 -21.866 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.243 -20.743 2.837 1.00 0.00 H new ATOM 37 N SER A 5 -15.554 -20.278 1.161 1.00 0.00 N ATOM 38 CA SER A 5 -16.227 -19.635 0.039 1.00 0.00 C ATOM 39 C SER A 5 -17.343 -18.718 0.529 1.00 0.00 C ATOM 40 O SER A 5 -18.318 -19.173 1.128 1.00 0.00 O ATOM 41 CB SER A 5 -16.797 -20.687 -0.913 1.00 0.00 C ATOM 42 OG SER A 5 -16.899 -20.180 -2.232 1.00 0.00 O ATOM 0 H SER A 5 -16.069 -20.238 2.041 1.00 0.00 H new ATOM 0 HA SER A 5 -15.493 -19.032 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.158 -21.570 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.780 -21.003 -0.564 1.00 0.00 H new ATOM 0 HG SER A 5 -17.264 -20.873 -2.821 1.00 0.00 H new ATOM 48 N SER A 6 -17.194 -17.423 0.270 1.00 0.00 N ATOM 49 CA SER A 6 -18.187 -16.440 0.688 1.00 0.00 C ATOM 50 C SER A 6 -18.762 -15.703 -0.518 1.00 0.00 C ATOM 51 O SER A 6 -18.173 -15.702 -1.598 1.00 0.00 O ATOM 52 CB SER A 6 -17.565 -15.438 1.663 1.00 0.00 C ATOM 53 OG SER A 6 -16.442 -14.794 1.086 1.00 0.00 O ATOM 0 H SER A 6 -16.395 -17.030 -0.227 1.00 0.00 H new ATOM 0 HA SER A 6 -18.997 -16.969 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.308 -14.693 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.264 -15.953 2.575 1.00 0.00 H new ATOM 0 HG SER A 6 -16.064 -14.158 1.728 1.00 0.00 H new ATOM 59 N GLY A 7 -19.919 -15.077 -0.324 1.00 0.00 N ATOM 60 CA GLY A 7 -20.556 -14.345 -1.403 1.00 0.00 C ATOM 61 C GLY A 7 -21.546 -13.314 -0.899 1.00 0.00 C ATOM 62 O GLY A 7 -22.758 -13.508 -0.994 1.00 0.00 O ATOM 0 H GLY A 7 -20.426 -15.064 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.792 -13.849 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.070 -15.047 -2.060 1.00 0.00 H new ATOM 66 N ALA A 8 -21.030 -12.215 -0.359 1.00 0.00 N ATOM 67 CA ALA A 8 -21.877 -11.149 0.162 1.00 0.00 C ATOM 68 C ALA A 8 -21.520 -9.806 -0.467 1.00 0.00 C ATOM 69 O ALA A 8 -20.513 -9.685 -1.165 1.00 0.00 O ATOM 70 CB ALA A 8 -21.758 -11.073 1.677 1.00 0.00 C ATOM 0 H ALA A 8 -20.029 -12.039 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 8 -22.910 -11.379 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -22.396 -10.273 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -22.070 -12.021 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.723 -10.870 1.951 1.00 0.00 H new ATOM 76 N SER A 9 -22.351 -8.800 -0.215 1.00 0.00 N ATOM 77 CA SER A 9 -22.125 -7.467 -0.761 1.00 0.00 C ATOM 78 C SER A 9 -20.803 -6.892 -0.259 1.00 0.00 C ATOM 79 O SER A 9 -20.247 -7.361 0.733 1.00 0.00 O ATOM 80 CB SER A 9 -23.277 -6.535 -0.380 1.00 0.00 C ATOM 81 OG SER A 9 -23.518 -6.567 1.016 1.00 0.00 O ATOM 0 H SER A 9 -23.187 -8.883 0.364 1.00 0.00 H new ATOM 0 HA SER A 9 -22.077 -7.549 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 9 -23.042 -5.516 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 9 -24.180 -6.830 -0.915 1.00 0.00 H new ATOM 0 HG SER A 9 -24.257 -5.962 1.234 1.00 0.00 H new ATOM 87 N SER A 10 -20.307 -5.873 -0.954 1.00 0.00 N ATOM 88 CA SER A 10 -19.049 -5.236 -0.583 1.00 0.00 C ATOM 89 C SER A 10 -19.295 -3.847 -0.001 1.00 0.00 C ATOM 90 O SER A 10 -20.340 -3.239 -0.236 1.00 0.00 O ATOM 91 CB SER A 10 -18.125 -5.136 -1.798 1.00 0.00 C ATOM 92 OG SER A 10 -18.646 -4.237 -2.762 1.00 0.00 O ATOM 0 H SER A 10 -20.757 -5.471 -1.777 1.00 0.00 H new ATOM 0 HA SER A 10 -18.570 -5.851 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.137 -4.802 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.000 -6.122 -2.246 1.00 0.00 H new ATOM 0 HG SER A 10 -18.036 -4.189 -3.528 1.00 0.00 H new ATOM 98 N SER A 11 -18.325 -3.350 0.759 1.00 0.00 N ATOM 99 CA SER A 11 -18.436 -2.035 1.378 1.00 0.00 C ATOM 100 C SER A 11 -17.826 -0.960 0.484 1.00 0.00 C ATOM 101 O SER A 11 -16.969 -1.245 -0.353 1.00 0.00 O ATOM 102 CB SER A 11 -17.746 -2.030 2.744 1.00 0.00 C ATOM 103 OG SER A 11 -18.601 -2.545 3.749 1.00 0.00 O ATOM 0 H SER A 11 -17.453 -3.839 0.961 1.00 0.00 H new ATOM 0 HA SER A 11 -19.495 -1.813 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.835 -2.626 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.449 -1.013 3.001 1.00 0.00 H new ATOM 0 HG SER A 11 -18.136 -2.533 4.612 1.00 0.00 H new ATOM 109 N PHE A 12 -18.274 0.278 0.667 1.00 0.00 N ATOM 110 CA PHE A 12 -17.773 1.397 -0.123 1.00 0.00 C ATOM 111 C PHE A 12 -17.952 2.714 0.625 1.00 0.00 C ATOM 112 O PHE A 12 -19.076 3.148 0.880 1.00 0.00 O ATOM 113 CB PHE A 12 -18.496 1.460 -1.471 1.00 0.00 C ATOM 114 CG PHE A 12 -17.682 2.102 -2.557 1.00 0.00 C ATOM 115 CD1 PHE A 12 -17.395 3.457 -2.518 1.00 0.00 C ATOM 116 CD2 PHE A 12 -17.205 1.351 -3.619 1.00 0.00 C ATOM 117 CE1 PHE A 12 -16.646 4.051 -3.516 1.00 0.00 C ATOM 118 CE2 PHE A 12 -16.455 1.940 -4.620 1.00 0.00 C ATOM 119 CZ PHE A 12 -16.177 3.292 -4.569 1.00 0.00 C ATOM 0 H PHE A 12 -18.983 0.532 1.355 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.708 1.240 -0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.764 0.449 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.427 2.014 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.761 4.056 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.421 0.294 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.428 5.108 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.087 1.343 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.594 3.754 -5.352 1.00 0.00 H new ATOM 129 N SER A 13 -16.836 3.345 0.975 1.00 0.00 N ATOM 130 CA SER A 13 -16.868 4.611 1.699 1.00 0.00 C ATOM 131 C SER A 13 -15.858 5.595 1.117 1.00 0.00 C ATOM 132 O SER A 13 -14.651 5.448 1.306 1.00 0.00 O ATOM 133 CB SER A 13 -16.577 4.382 3.183 1.00 0.00 C ATOM 134 OG SER A 13 -17.000 5.488 3.962 1.00 0.00 O ATOM 0 H SER A 13 -15.898 3.001 0.769 1.00 0.00 H new ATOM 0 HA SER A 13 -17.866 5.036 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.085 3.479 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.509 4.219 3.327 1.00 0.00 H new ATOM 0 HG SER A 13 -16.805 5.316 4.907 1.00 0.00 H new ATOM 140 N VAL A 14 -16.362 6.600 0.407 1.00 0.00 N ATOM 141 CA VAL A 14 -15.505 7.610 -0.203 1.00 0.00 C ATOM 142 C VAL A 14 -14.711 8.368 0.855 1.00 0.00 C ATOM 143 O VAL A 14 -15.261 8.805 1.865 1.00 0.00 O ATOM 144 CB VAL A 14 -16.326 8.616 -1.032 1.00 0.00 C ATOM 145 CG1 VAL A 14 -15.421 9.690 -1.616 1.00 0.00 C ATOM 146 CG2 VAL A 14 -17.094 7.898 -2.132 1.00 0.00 C ATOM 0 H VAL A 14 -17.359 6.736 0.240 1.00 0.00 H new ATOM 0 HA VAL A 14 -14.815 7.084 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 14 -17.047 9.101 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.018 10.392 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.921 10.223 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.675 9.226 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.668 8.624 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.393 7.386 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.772 7.170 -1.687 1.00 0.00 H new ATOM 156 N VAL A 15 -13.412 8.520 0.615 1.00 0.00 N ATOM 157 CA VAL A 15 -12.541 9.227 1.546 1.00 0.00 C ATOM 158 C VAL A 15 -11.487 10.041 0.803 1.00 0.00 C ATOM 159 O VAL A 15 -10.839 9.543 -0.117 1.00 0.00 O ATOM 160 CB VAL A 15 -11.837 8.251 2.508 1.00 0.00 C ATOM 161 CG1 VAL A 15 -10.898 9.003 3.439 1.00 0.00 C ATOM 162 CG2 VAL A 15 -12.861 7.453 3.300 1.00 0.00 C ATOM 0 H VAL A 15 -12.940 8.163 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.175 9.900 2.123 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.243 7.552 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.410 8.297 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.143 9.525 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.467 9.726 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.346 6.769 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.484 8.134 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.488 6.883 2.614 1.00 0.00 H new ATOM 172 N SER A 16 -11.320 11.295 1.210 1.00 0.00 N ATOM 173 CA SER A 16 -10.347 12.179 0.581 1.00 0.00 C ATOM 174 C SER A 16 -8.923 11.729 0.891 1.00 0.00 C ATOM 175 O SER A 16 -8.480 11.780 2.038 1.00 0.00 O ATOM 176 CB SER A 16 -10.553 13.619 1.055 1.00 0.00 C ATOM 177 OG SER A 16 -11.644 14.226 0.385 1.00 0.00 O ATOM 0 H SER A 16 -11.846 11.721 1.973 1.00 0.00 H new ATOM 0 HA SER A 16 -10.497 12.134 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.732 13.629 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.646 14.197 0.877 1.00 0.00 H new ATOM 0 HG SER A 16 -11.755 15.145 0.707 1.00 0.00 H new ATOM 183 N SER A 17 -8.210 11.287 -0.141 1.00 0.00 N ATOM 184 CA SER A 17 -6.838 10.823 0.021 1.00 0.00 C ATOM 185 C SER A 17 -5.865 11.737 -0.718 1.00 0.00 C ATOM 186 O SER A 17 -5.553 11.514 -1.888 1.00 0.00 O ATOM 187 CB SER A 17 -6.698 9.388 -0.492 1.00 0.00 C ATOM 188 OG SER A 17 -5.335 9.018 -0.607 1.00 0.00 O ATOM 0 H SER A 17 -8.561 11.241 -1.098 1.00 0.00 H new ATOM 0 HA SER A 17 -6.596 10.846 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.208 8.704 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.186 9.296 -1.462 1.00 0.00 H new ATOM 0 HG SER A 17 -5.261 8.041 -0.619 1.00 0.00 H new ATOM 194 N SER A 18 -5.388 12.766 -0.026 1.00 0.00 N ATOM 195 CA SER A 18 -4.453 13.717 -0.616 1.00 0.00 C ATOM 196 C SER A 18 -3.127 13.041 -0.948 1.00 0.00 C ATOM 197 O SER A 18 -2.648 12.187 -0.201 1.00 0.00 O ATOM 198 CB SER A 18 -4.216 14.890 0.337 1.00 0.00 C ATOM 199 OG SER A 18 -3.752 14.437 1.597 1.00 0.00 O ATOM 0 H SER A 18 -5.633 12.963 0.944 1.00 0.00 H new ATOM 0 HA SER A 18 -4.891 14.092 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.488 15.575 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.142 15.450 0.467 1.00 0.00 H new ATOM 0 HG SER A 18 -3.606 15.205 2.188 1.00 0.00 H new ATOM 205 N TYR A 19 -2.538 13.428 -2.074 1.00 0.00 N ATOM 206 CA TYR A 19 -1.268 12.857 -2.508 1.00 0.00 C ATOM 207 C TYR A 19 -0.195 13.041 -1.439 1.00 0.00 C ATOM 208 O TYR A 19 -0.224 13.986 -0.649 1.00 0.00 O ATOM 209 CB TYR A 19 -0.815 13.505 -3.818 1.00 0.00 C ATOM 210 CG TYR A 19 0.043 14.734 -3.620 1.00 0.00 C ATOM 211 CD1 TYR A 19 -0.522 15.946 -3.242 1.00 0.00 C ATOM 212 CD2 TYR A 19 1.418 14.684 -3.813 1.00 0.00 C ATOM 213 CE1 TYR A 19 0.258 17.072 -3.061 1.00 0.00 C ATOM 214 CE2 TYR A 19 2.205 15.804 -3.633 1.00 0.00 C ATOM 215 CZ TYR A 19 1.621 16.996 -3.258 1.00 0.00 C ATOM 216 OH TYR A 19 2.402 18.115 -3.079 1.00 0.00 O ATOM 0 H TYR A 19 -2.919 14.135 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.415 11.789 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.257 12.773 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.694 13.776 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.589 16.009 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.879 13.753 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.197 18.006 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.273 15.747 -3.785 1.00 0.00 H new ATOM 0 HH TYR A 19 3.340 17.891 -3.256 1.00 0.00 H new ATOM 226 N PRO A 20 0.776 12.117 -1.412 1.00 0.00 N ATOM 227 CA PRO A 20 1.878 12.154 -0.447 1.00 0.00 C ATOM 228 C PRO A 20 2.844 13.303 -0.714 1.00 0.00 C ATOM 229 O PRO A 20 3.170 13.600 -1.864 1.00 0.00 O ATOM 230 CB PRO A 20 2.578 10.809 -0.654 1.00 0.00 C ATOM 231 CG PRO A 20 2.251 10.424 -2.056 1.00 0.00 C ATOM 232 CD PRO A 20 0.874 10.964 -2.323 1.00 0.00 C ATOM 0 HA PRO A 20 1.522 12.312 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.655 10.896 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.220 10.063 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.976 10.841 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.276 9.341 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.755 11.264 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.104 10.221 -2.115 1.00 0.00 H new ATOM 240 N THR A 21 3.301 13.948 0.356 1.00 0.00 N ATOM 241 CA THR A 21 4.230 15.065 0.236 1.00 0.00 C ATOM 242 C THR A 21 5.610 14.692 0.765 1.00 0.00 C ATOM 243 O THR A 21 5.755 13.742 1.533 1.00 0.00 O ATOM 244 CB THR A 21 3.719 16.304 0.996 1.00 0.00 C ATOM 245 OG1 THR A 21 3.456 15.966 2.362 1.00 0.00 O ATOM 246 CG2 THR A 21 2.454 16.850 0.351 1.00 0.00 C ATOM 0 H THR A 21 3.043 13.716 1.315 1.00 0.00 H new ATOM 0 HA THR A 21 4.303 15.303 -0.825 1.00 0.00 H new ATOM 0 HB THR A 21 4.490 17.073 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.133 16.759 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.112 17.724 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.664 17.133 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.678 16.084 0.366 1.00 0.00 H new ATOM 254 N GLY A 22 6.622 15.447 0.350 1.00 0.00 N ATOM 255 CA GLY A 22 7.978 15.180 0.793 1.00 0.00 C ATOM 256 C GLY A 22 8.404 13.750 0.526 1.00 0.00 C ATOM 257 O GLY A 22 8.781 13.024 1.446 1.00 0.00 O ATOM 0 H GLY A 22 6.527 16.239 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.663 15.860 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.055 15.386 1.861 1.00 0.00 H new ATOM 261 N LEU A 23 8.342 13.342 -0.737 1.00 0.00 N ATOM 262 CA LEU A 23 8.723 11.988 -1.124 1.00 0.00 C ATOM 263 C LEU A 23 10.241 11.844 -1.176 1.00 0.00 C ATOM 264 O LEU A 23 10.874 12.174 -2.179 1.00 0.00 O ATOM 265 CB LEU A 23 8.120 11.636 -2.485 1.00 0.00 C ATOM 266 CG LEU A 23 6.609 11.402 -2.508 1.00 0.00 C ATOM 267 CD1 LEU A 23 5.868 12.714 -2.713 1.00 0.00 C ATOM 268 CD2 LEU A 23 6.241 10.403 -3.596 1.00 0.00 C ATOM 0 H LEU A 23 8.031 13.930 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 23 8.336 11.300 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.354 12.440 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.613 10.738 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 23 6.310 10.987 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.794 12.527 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.107 13.398 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.171 13.159 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.162 10.248 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.554 10.790 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.743 9.455 -3.404 1.00 0.00 H new ATOM 280 N THR A 24 10.820 11.346 -0.087 1.00 0.00 N ATOM 281 CA THR A 24 12.263 11.156 -0.009 1.00 0.00 C ATOM 282 C THR A 24 12.620 10.057 0.986 1.00 0.00 C ATOM 283 O THR A 24 12.360 10.180 2.182 1.00 0.00 O ATOM 284 CB THR A 24 12.979 12.456 0.402 1.00 0.00 C ATOM 285 OG1 THR A 24 12.443 12.941 1.639 1.00 0.00 O ATOM 286 CG2 THR A 24 12.828 13.521 -0.674 1.00 0.00 C ATOM 0 H THR A 24 10.312 11.067 0.752 1.00 0.00 H new ATOM 0 HA THR A 24 12.598 10.864 -1.005 1.00 0.00 H new ATOM 0 HB THR A 24 14.039 12.236 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.149 12.184 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.342 14.430 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.263 13.161 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.770 13.736 -0.827 1.00 0.00 H new ATOM 294 N GLY A 25 13.217 8.981 0.482 1.00 0.00 N ATOM 295 CA GLY A 25 13.600 7.875 1.341 1.00 0.00 C ATOM 296 C GLY A 25 13.551 6.541 0.625 1.00 0.00 C ATOM 297 O GLY A 25 13.973 6.429 -0.526 1.00 0.00 O ATOM 0 H GLY A 25 13.442 8.855 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.608 8.044 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.937 7.844 2.206 1.00 0.00 H new ATOM 301 N GLY A 26 13.035 5.523 1.307 1.00 0.00 N ATOM 302 CA GLY A 26 12.943 4.202 0.713 1.00 0.00 C ATOM 303 C GLY A 26 11.563 3.593 0.863 1.00 0.00 C ATOM 304 O GLY A 26 11.427 2.432 1.248 1.00 0.00 O ATOM 0 H GLY A 26 12.679 5.590 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.196 4.265 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.679 3.546 1.178 1.00 0.00 H new ATOM 308 N VAL A 27 10.535 4.380 0.559 1.00 0.00 N ATOM 309 CA VAL A 27 9.158 3.912 0.662 1.00 0.00 C ATOM 310 C VAL A 27 8.466 3.937 -0.696 1.00 0.00 C ATOM 311 O VAL A 27 8.635 4.876 -1.475 1.00 0.00 O ATOM 312 CB VAL A 27 8.348 4.767 1.655 1.00 0.00 C ATOM 313 CG1 VAL A 27 6.935 4.224 1.798 1.00 0.00 C ATOM 314 CG2 VAL A 27 9.047 4.821 3.005 1.00 0.00 C ATOM 0 H VAL A 27 10.630 5.344 0.240 1.00 0.00 H new ATOM 0 HA VAL A 27 9.199 2.886 1.027 1.00 0.00 H new ATOM 0 HB VAL A 27 8.283 5.783 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.378 4.841 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.438 4.243 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.975 3.199 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.461 5.429 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.145 3.812 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.037 5.261 2.885 1.00 0.00 H new ATOM 324 N THR A 28 7.684 2.899 -0.975 1.00 0.00 N ATOM 325 CA THR A 28 6.966 2.800 -2.239 1.00 0.00 C ATOM 326 C THR A 28 5.466 2.971 -2.034 1.00 0.00 C ATOM 327 O THR A 28 4.879 2.362 -1.140 1.00 0.00 O ATOM 328 CB THR A 28 7.228 1.449 -2.930 1.00 0.00 C ATOM 329 OG1 THR A 28 8.633 1.176 -2.957 1.00 0.00 O ATOM 330 CG2 THR A 28 6.680 1.451 -4.349 1.00 0.00 C ATOM 0 H THR A 28 7.532 2.114 -0.341 1.00 0.00 H new ATOM 0 HA THR A 28 7.336 3.603 -2.876 1.00 0.00 H new ATOM 0 HB THR A 28 6.718 0.671 -2.361 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.790 0.314 -3.397 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.877 0.486 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.605 1.629 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.165 2.239 -4.925 1.00 0.00 H new ATOM 338 N ILE A 29 4.850 3.803 -2.868 1.00 0.00 N ATOM 339 CA ILE A 29 3.417 4.052 -2.778 1.00 0.00 C ATOM 340 C ILE A 29 2.618 2.860 -3.296 1.00 0.00 C ATOM 341 O ILE A 29 2.953 2.276 -4.327 1.00 0.00 O ATOM 342 CB ILE A 29 3.013 5.309 -3.571 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.386 6.572 -2.791 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.522 5.288 -3.874 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.731 6.656 -1.430 1.00 0.00 C ATOM 0 H ILE A 29 5.321 4.316 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 29 3.190 4.209 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 29 3.556 5.314 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.468 6.607 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.104 7.447 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.252 6.183 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.283 4.404 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.961 5.262 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.040 7.576 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.647 6.653 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.033 5.799 -0.827 1.00 0.00 H new ATOM 357 N PHE A 30 1.560 2.506 -2.575 1.00 0.00 N ATOM 358 CA PHE A 30 0.713 1.384 -2.961 1.00 0.00 C ATOM 359 C PHE A 30 -0.762 1.720 -2.757 1.00 0.00 C ATOM 360 O PHE A 30 -1.129 2.390 -1.792 1.00 0.00 O ATOM 361 CB PHE A 30 1.080 0.137 -2.153 1.00 0.00 C ATOM 362 CG PHE A 30 2.181 -0.676 -2.772 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.485 -0.207 -2.781 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.912 -1.908 -3.344 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.499 -0.952 -3.351 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.923 -2.659 -3.915 1.00 0.00 C ATOM 367 CZ PHE A 30 4.218 -2.181 -3.917 1.00 0.00 C ATOM 0 H PHE A 30 1.269 2.980 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 30 0.879 1.184 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.382 0.439 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.194 -0.489 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.711 0.751 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.901 -2.287 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.511 -0.574 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.700 -3.618 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.010 -2.766 -4.360 1.00 0.00 H new ATOM 377 N VAL A 31 -1.602 1.250 -3.673 1.00 0.00 N ATOM 378 CA VAL A 31 -3.037 1.500 -3.594 1.00 0.00 C ATOM 379 C VAL A 31 -3.815 0.196 -3.464 1.00 0.00 C ATOM 380 O VAL A 31 -3.445 -0.821 -4.050 1.00 0.00 O ATOM 381 CB VAL A 31 -3.542 2.265 -4.832 1.00 0.00 C ATOM 382 CG1 VAL A 31 -5.025 2.009 -5.049 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.265 3.754 -4.686 1.00 0.00 C ATOM 0 H VAL A 31 -1.314 0.694 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.204 2.110 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.004 1.902 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.364 2.557 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.192 0.942 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.584 2.343 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.628 4.280 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.776 4.134 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.192 3.916 -4.583 1.00 0.00 H new ATOM 393 N ALA A 32 -4.897 0.233 -2.692 1.00 0.00 N ATOM 394 CA ALA A 32 -5.730 -0.945 -2.487 1.00 0.00 C ATOM 395 C ALA A 32 -6.833 -1.027 -3.537 1.00 0.00 C ATOM 396 O ALA A 32 -7.715 -0.170 -3.593 1.00 0.00 O ATOM 397 CB ALA A 32 -6.329 -0.931 -1.089 1.00 0.00 C ATOM 0 H ALA A 32 -5.217 1.067 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.099 -1.828 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.949 -1.817 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.528 -0.929 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.940 -0.037 -0.964 1.00 0.00 H new ATOM 403 N LEU A 33 -6.777 -2.063 -4.367 1.00 0.00 N ATOM 404 CA LEU A 33 -7.772 -2.257 -5.416 1.00 0.00 C ATOM 405 C LEU A 33 -9.038 -2.895 -4.855 1.00 0.00 C ATOM 406 O LEU A 33 -10.146 -2.596 -5.300 1.00 0.00 O ATOM 407 CB LEU A 33 -7.199 -3.130 -6.534 1.00 0.00 C ATOM 408 CG LEU A 33 -5.773 -2.803 -6.977 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.289 -3.813 -8.006 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.699 -1.390 -7.538 1.00 0.00 C ATOM 0 H LEU A 33 -6.053 -2.781 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.030 -1.279 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.227 -4.169 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.855 -3.051 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.120 -2.861 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.272 -3.564 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.303 -4.812 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.944 -3.788 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.676 -1.175 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.364 -1.304 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.003 -0.678 -6.771 1.00 0.00 H new ATOM 422 N TYR A 34 -8.866 -3.774 -3.874 1.00 0.00 N ATOM 423 CA TYR A 34 -9.995 -4.456 -3.251 1.00 0.00 C ATOM 424 C TYR A 34 -10.092 -4.107 -1.769 1.00 0.00 C ATOM 425 O TYR A 34 -9.080 -4.016 -1.074 1.00 0.00 O ATOM 426 CB TYR A 34 -9.862 -5.970 -3.423 1.00 0.00 C ATOM 427 CG TYR A 34 -9.220 -6.377 -4.730 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.971 -6.476 -5.894 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.862 -6.664 -4.800 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.389 -6.848 -7.091 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.272 -7.035 -5.992 1.00 0.00 C ATOM 432 CZ TYR A 34 -8.039 -7.126 -7.135 1.00 0.00 C ATOM 433 OH TYR A 34 -7.455 -7.497 -8.324 1.00 0.00 O ATOM 0 H TYR A 34 -7.956 -4.031 -3.493 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.907 -4.120 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.273 -6.370 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.851 -6.423 -3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.028 -6.258 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.258 -6.596 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.988 -6.921 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.215 -7.253 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.498 -7.656 -8.183 1.00 0.00 H new ATOM 443 N ASP A 35 -11.316 -3.913 -1.292 1.00 0.00 N ATOM 444 CA ASP A 35 -11.548 -3.576 0.107 1.00 0.00 C ATOM 445 C ASP A 35 -11.291 -4.782 1.006 1.00 0.00 C ATOM 446 O ASP A 35 -11.795 -5.876 0.752 1.00 0.00 O ATOM 447 CB ASP A 35 -12.979 -3.073 0.303 1.00 0.00 C ATOM 448 CG ASP A 35 -13.983 -3.847 -0.528 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.907 -3.772 -1.772 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.846 -4.528 0.066 1.00 0.00 O ATOM 0 H ASP A 35 -12.164 -3.983 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.853 -2.784 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.247 -3.150 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.029 -2.017 0.038 1.00 0.00 H new ATOM 455 N TYR A 36 -10.505 -4.574 2.056 1.00 0.00 N ATOM 456 CA TYR A 36 -10.178 -5.644 2.991 1.00 0.00 C ATOM 457 C TYR A 36 -10.423 -5.204 4.430 1.00 0.00 C ATOM 458 O TYR A 36 -10.640 -4.023 4.701 1.00 0.00 O ATOM 459 CB TYR A 36 -8.721 -6.074 2.817 1.00 0.00 C ATOM 460 CG TYR A 36 -8.246 -7.045 3.875 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.585 -8.391 3.813 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.459 -6.616 4.937 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.154 -9.281 4.778 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.022 -7.499 5.905 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.373 -8.831 5.821 1.00 0.00 C ATOM 466 OH TYR A 36 -6.941 -9.714 6.784 1.00 0.00 O ATOM 0 H TYR A 36 -10.082 -3.674 2.281 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.828 -6.492 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.601 -6.532 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.085 -5.189 2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.196 -8.748 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.184 -5.574 5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.428 -10.324 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.409 -7.149 6.723 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.120 -10.154 6.480 1.00 0.00 H new ATOM 476 N GLU A 37 -10.384 -6.163 5.351 1.00 0.00 N ATOM 477 CA GLU A 37 -10.602 -5.874 6.763 1.00 0.00 C ATOM 478 C GLU A 37 -9.587 -6.613 7.632 1.00 0.00 C ATOM 479 O GLU A 37 -9.518 -7.841 7.616 1.00 0.00 O ATOM 480 CB GLU A 37 -12.022 -6.266 7.174 1.00 0.00 C ATOM 481 CG GLU A 37 -12.406 -5.795 8.567 1.00 0.00 C ATOM 482 CD GLU A 37 -11.672 -6.547 9.660 1.00 0.00 C ATOM 483 OE1 GLU A 37 -11.274 -7.706 9.418 1.00 0.00 O ATOM 484 OE2 GLU A 37 -11.495 -5.977 10.757 1.00 0.00 O ATOM 0 H GLU A 37 -10.204 -7.145 5.144 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.472 -4.802 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.727 -5.852 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.118 -7.351 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.193 -4.730 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.480 -5.918 8.705 1.00 0.00 H new ATOM 491 N ALA A 38 -8.801 -5.854 8.388 1.00 0.00 N ATOM 492 CA ALA A 38 -7.792 -6.435 9.264 1.00 0.00 C ATOM 493 C ALA A 38 -8.396 -7.510 10.161 1.00 0.00 C ATOM 494 O ALA A 38 -9.128 -7.207 11.103 1.00 0.00 O ATOM 495 CB ALA A 38 -7.136 -5.350 10.107 1.00 0.00 C ATOM 0 H ALA A 38 -8.844 -4.835 8.411 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.032 -6.904 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.384 -5.799 10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.661 -4.619 9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.893 -4.855 10.716 1.00 0.00 H new ATOM 501 N ARG A 39 -8.085 -8.767 9.861 1.00 0.00 N ATOM 502 CA ARG A 39 -8.600 -9.888 10.638 1.00 0.00 C ATOM 503 C ARG A 39 -8.161 -9.785 12.096 1.00 0.00 C ATOM 504 O ARG A 39 -8.970 -9.935 13.012 1.00 0.00 O ATOM 505 CB ARG A 39 -8.120 -11.213 10.043 1.00 0.00 C ATOM 506 CG ARG A 39 -8.912 -11.654 8.823 1.00 0.00 C ATOM 507 CD ARG A 39 -8.088 -12.560 7.921 1.00 0.00 C ATOM 508 NE ARG A 39 -8.187 -13.962 8.316 1.00 0.00 N ATOM 509 CZ ARG A 39 -7.818 -14.973 7.537 1.00 0.00 C ATOM 510 NH1 ARG A 39 -7.328 -14.738 6.328 1.00 0.00 N ATOM 511 NH2 ARG A 39 -7.939 -16.223 7.968 1.00 0.00 N ATOM 0 H ARG A 39 -7.479 -9.035 9.085 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.689 -9.854 10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.069 -11.119 9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.183 -11.988 10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.812 -12.179 9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.236 -10.777 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.425 -12.449 6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.044 -12.248 7.950 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.560 -14.177 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.233 -13.779 5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.045 -15.516 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.316 -16.408 8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.655 -16.999 7.369 1.00 0.00 H new ATOM 525 N THR A 40 -6.873 -9.528 12.304 1.00 0.00 N ATOM 526 CA THR A 40 -6.326 -9.407 13.650 1.00 0.00 C ATOM 527 C THR A 40 -5.552 -8.103 13.813 1.00 0.00 C ATOM 528 O THR A 40 -5.049 -7.541 12.840 1.00 0.00 O ATOM 529 CB THR A 40 -5.396 -10.588 13.987 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.160 -10.456 13.277 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.053 -11.912 13.630 1.00 0.00 C ATOM 0 H THR A 40 -6.190 -9.400 11.558 1.00 0.00 H new ATOM 0 HA THR A 40 -7.172 -9.413 14.337 1.00 0.00 H new ATOM 0 HB THR A 40 -5.201 -10.575 15.059 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.340 -10.395 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.378 -12.731 13.877 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.979 -12.022 14.194 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.274 -11.933 12.563 1.00 0.00 H new ATOM 539 N THR A 41 -5.460 -7.626 15.051 1.00 0.00 N ATOM 540 CA THR A 41 -4.748 -6.389 15.342 1.00 0.00 C ATOM 541 C THR A 41 -3.415 -6.334 14.603 1.00 0.00 C ATOM 542 O THR A 41 -2.878 -5.256 14.354 1.00 0.00 O ATOM 543 CB THR A 41 -4.492 -6.230 16.852 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.846 -4.978 17.111 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.630 -7.368 17.378 1.00 0.00 C ATOM 0 H THR A 41 -5.870 -8.079 15.868 1.00 0.00 H new ATOM 0 HA THR A 41 -5.383 -5.571 15.001 1.00 0.00 H new ATOM 0 HB THR A 41 -5.453 -6.256 17.365 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.688 -4.884 18.074 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.463 -7.234 18.447 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.137 -8.318 17.206 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.672 -7.369 16.858 1.00 0.00 H new ATOM 553 N GLU A 42 -2.889 -7.504 14.255 1.00 0.00 N ATOM 554 CA GLU A 42 -1.618 -7.588 13.545 1.00 0.00 C ATOM 555 C GLU A 42 -1.768 -7.111 12.103 1.00 0.00 C ATOM 556 O GLU A 42 -0.896 -6.424 11.571 1.00 0.00 O ATOM 557 CB GLU A 42 -1.090 -9.024 13.566 1.00 0.00 C ATOM 558 CG GLU A 42 -1.091 -9.653 14.950 1.00 0.00 C ATOM 559 CD GLU A 42 -0.021 -10.715 15.108 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.133 -10.353 15.418 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.338 -11.909 14.922 1.00 0.00 O ATOM 0 H GLU A 42 -3.323 -8.406 14.453 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.904 -6.939 14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.697 -9.635 12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.074 -9.034 13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.939 -8.875 15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.068 -10.095 15.143 1.00 0.00 H new ATOM 568 N ASP A 43 -2.880 -7.481 11.477 1.00 0.00 N ATOM 569 CA ASP A 43 -3.146 -7.091 10.097 1.00 0.00 C ATOM 570 C ASP A 43 -3.542 -5.620 10.015 1.00 0.00 C ATOM 571 O ASP A 43 -3.974 -5.026 11.004 1.00 0.00 O ATOM 572 CB ASP A 43 -4.251 -7.964 9.502 1.00 0.00 C ATOM 573 CG ASP A 43 -3.819 -9.407 9.328 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.988 -9.674 8.435 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.312 -10.269 10.086 1.00 0.00 O ATOM 0 H ASP A 43 -3.611 -8.050 11.903 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.231 -7.235 9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.128 -7.926 10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.550 -7.558 8.535 1.00 0.00 H new ATOM 580 N LEU A 44 -3.392 -5.038 8.830 1.00 0.00 N ATOM 581 CA LEU A 44 -3.734 -3.635 8.619 1.00 0.00 C ATOM 582 C LEU A 44 -5.078 -3.503 7.910 1.00 0.00 C ATOM 583 O LEU A 44 -5.323 -4.156 6.896 1.00 0.00 O ATOM 584 CB LEU A 44 -2.643 -2.942 7.800 1.00 0.00 C ATOM 585 CG LEU A 44 -2.444 -1.451 8.073 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.806 -0.769 6.873 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.771 -0.791 8.420 1.00 0.00 C ATOM 0 H LEU A 44 -3.036 -5.515 8.001 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.809 -3.154 9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.698 -3.454 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.874 -3.070 6.742 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.773 -1.344 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.672 0.292 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.836 -1.223 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.451 -0.886 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.611 0.270 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.465 -0.909 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.189 -1.261 9.310 1.00 0.00 H new ATOM 599 N SER A 45 -5.945 -2.652 8.450 1.00 0.00 N ATOM 600 CA SER A 45 -7.265 -2.435 7.871 1.00 0.00 C ATOM 601 C SER A 45 -7.204 -1.399 6.753 1.00 0.00 C ATOM 602 O SER A 45 -6.851 -0.242 6.982 1.00 0.00 O ATOM 603 CB SER A 45 -8.251 -1.982 8.949 1.00 0.00 C ATOM 604 OG SER A 45 -8.374 -2.957 9.970 1.00 0.00 O ATOM 0 H SER A 45 -5.756 -2.102 9.288 1.00 0.00 H new ATOM 0 HA SER A 45 -7.609 -3.379 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.915 -1.039 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.226 -1.797 8.499 1.00 0.00 H new ATOM 0 HG SER A 45 -9.008 -2.643 10.648 1.00 0.00 H new ATOM 610 N PHE A 46 -7.551 -1.823 5.542 1.00 0.00 N ATOM 611 CA PHE A 46 -7.535 -0.933 4.387 1.00 0.00 C ATOM 612 C PHE A 46 -8.779 -1.137 3.526 1.00 0.00 C ATOM 613 O PHE A 46 -9.464 -2.154 3.635 1.00 0.00 O ATOM 614 CB PHE A 46 -6.277 -1.172 3.550 1.00 0.00 C ATOM 615 CG PHE A 46 -6.108 -2.600 3.115 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.499 -3.524 3.949 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.560 -3.018 1.874 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.341 -4.838 3.551 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.406 -4.332 1.471 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.796 -5.243 2.311 1.00 0.00 C ATOM 0 H PHE A 46 -7.847 -2.777 5.335 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.531 0.094 4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.311 -0.533 2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.403 -0.871 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.144 -3.214 4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.038 -2.310 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.862 -5.548 4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.762 -4.645 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.675 -6.270 1.999 1.00 0.00 H new ATOM 630 N LYS A 47 -9.066 -0.161 2.671 1.00 0.00 N ATOM 631 CA LYS A 47 -10.225 -0.231 1.790 1.00 0.00 C ATOM 632 C LYS A 47 -9.836 0.090 0.351 1.00 0.00 C ATOM 633 O LYS A 47 -8.728 0.558 0.086 1.00 0.00 O ATOM 634 CB LYS A 47 -11.311 0.738 2.264 1.00 0.00 C ATOM 635 CG LYS A 47 -11.787 0.473 3.682 1.00 0.00 C ATOM 636 CD LYS A 47 -12.883 -0.580 3.714 1.00 0.00 C ATOM 637 CE LYS A 47 -13.528 -0.671 5.088 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.560 0.384 5.287 1.00 0.00 N ATOM 0 H LYS A 47 -8.511 0.689 2.570 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.614 -1.249 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.929 1.757 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.163 0.676 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.947 0.144 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.158 1.399 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.642 -0.339 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.466 -1.549 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.984 -1.653 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.761 -0.578 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.976 0.288 6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.120 1.322 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.306 0.280 4.570 1.00 0.00 H new ATOM 652 N LYS A 48 -10.753 -0.164 -0.576 1.00 0.00 N ATOM 653 CA LYS A 48 -10.508 0.100 -1.989 1.00 0.00 C ATOM 654 C LYS A 48 -10.336 1.594 -2.241 1.00 0.00 C ATOM 655 O LYS A 48 -11.256 2.380 -2.023 1.00 0.00 O ATOM 656 CB LYS A 48 -11.660 -0.443 -2.838 1.00 0.00 C ATOM 657 CG LYS A 48 -11.597 -0.013 -4.293 1.00 0.00 C ATOM 658 CD LYS A 48 -12.547 -0.826 -5.156 1.00 0.00 C ATOM 659 CE LYS A 48 -12.521 -0.362 -6.604 1.00 0.00 C ATOM 660 NZ LYS A 48 -11.467 -1.061 -7.392 1.00 0.00 N ATOM 0 H LYS A 48 -11.674 -0.553 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.586 -0.407 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.655 -1.532 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.605 -0.109 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.847 1.045 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.578 -0.128 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.274 -1.880 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.560 -0.740 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.494 -0.541 -7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.346 0.713 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.845 -0.358 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.906 -1.668 -6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.914 -1.646 -8.127 1.00 0.00 H new ATOM 674 N GLY A 49 -9.150 1.979 -2.704 1.00 0.00 N ATOM 675 CA GLY A 49 -8.880 3.378 -2.980 1.00 0.00 C ATOM 676 C GLY A 49 -8.129 4.057 -1.852 1.00 0.00 C ATOM 677 O GLY A 49 -8.192 5.277 -1.702 1.00 0.00 O ATOM 0 H GLY A 49 -8.372 1.347 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.299 3.458 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.822 3.900 -3.151 1.00 0.00 H new ATOM 681 N GLU A 50 -7.418 3.265 -1.056 1.00 0.00 N ATOM 682 CA GLU A 50 -6.654 3.798 0.066 1.00 0.00 C ATOM 683 C GLU A 50 -5.161 3.542 -0.122 1.00 0.00 C ATOM 684 O GLU A 50 -4.753 2.453 -0.527 1.00 0.00 O ATOM 685 CB GLU A 50 -7.128 3.171 1.379 1.00 0.00 C ATOM 686 CG GLU A 50 -6.975 4.088 2.581 1.00 0.00 C ATOM 687 CD GLU A 50 -7.511 3.469 3.858 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.573 2.816 3.801 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.867 3.639 4.914 1.00 0.00 O ATOM 0 H GLU A 50 -7.355 2.253 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.819 4.875 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.176 2.888 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.566 2.254 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.921 4.333 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.498 5.025 2.388 1.00 0.00 H new ATOM 696 N ARG A 51 -4.352 4.554 0.175 1.00 0.00 N ATOM 697 CA ARG A 51 -2.905 4.440 0.037 1.00 0.00 C ATOM 698 C ARG A 51 -2.265 4.010 1.354 1.00 0.00 C ATOM 699 O ARG A 51 -2.884 4.100 2.415 1.00 0.00 O ATOM 700 CB ARG A 51 -2.308 5.772 -0.422 1.00 0.00 C ATOM 701 CG ARG A 51 -2.836 6.244 -1.766 1.00 0.00 C ATOM 702 CD ARG A 51 -1.866 7.203 -2.440 1.00 0.00 C ATOM 703 NE ARG A 51 -2.554 8.166 -3.296 1.00 0.00 N ATOM 704 CZ ARG A 51 -2.949 7.896 -4.535 1.00 0.00 C ATOM 705 NH1 ARG A 51 -2.727 6.698 -5.060 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.570 8.824 -5.252 1.00 0.00 N ATOM 0 H ARG A 51 -4.674 5.461 0.512 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.696 3.678 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.519 6.533 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.224 5.674 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.008 5.384 -2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.799 6.736 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.296 7.737 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.150 6.636 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.741 9.096 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.252 5.981 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.032 6.494 -6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.744 9.746 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.873 8.615 -6.203 1.00 0.00 H new ATOM 720 N PHE A 52 -1.023 3.544 1.279 1.00 0.00 N ATOM 721 CA PHE A 52 -0.300 3.099 2.465 1.00 0.00 C ATOM 722 C PHE A 52 1.204 3.076 2.208 1.00 0.00 C ATOM 723 O PHE A 52 1.656 2.639 1.149 1.00 0.00 O ATOM 724 CB PHE A 52 -0.778 1.709 2.888 1.00 0.00 C ATOM 725 CG PHE A 52 -2.272 1.599 3.006 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.049 1.312 1.896 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.898 1.783 4.229 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.423 1.209 2.002 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.272 1.682 4.340 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.035 1.396 3.225 1.00 0.00 C ATOM 0 H PHE A 52 -0.496 3.465 0.409 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.503 3.805 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.424 0.976 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.326 1.454 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.575 1.167 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.306 2.008 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.017 0.982 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.749 1.827 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.109 1.319 3.310 1.00 0.00 H new ATOM 740 N GLN A 53 1.972 3.549 3.183 1.00 0.00 N ATOM 741 CA GLN A 53 3.425 3.584 3.062 1.00 0.00 C ATOM 742 C GLN A 53 4.033 2.229 3.411 1.00 0.00 C ATOM 743 O GLN A 53 3.986 1.795 4.562 1.00 0.00 O ATOM 744 CB GLN A 53 4.008 4.667 3.972 1.00 0.00 C ATOM 745 CG GLN A 53 3.893 6.070 3.399 1.00 0.00 C ATOM 746 CD GLN A 53 3.950 7.144 4.467 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.358 7.003 5.537 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.667 8.225 4.183 1.00 0.00 N ATOM 0 H GLN A 53 1.613 3.913 4.066 1.00 0.00 H new ATOM 0 HA GLN A 53 3.673 3.817 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.498 4.634 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.059 4.445 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.698 6.233 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.955 6.158 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.142 8.300 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.743 8.980 4.865 1.00 0.00 H new ATOM 757 N ILE A 54 4.602 1.567 2.409 1.00 0.00 N ATOM 758 CA ILE A 54 5.219 0.262 2.611 1.00 0.00 C ATOM 759 C ILE A 54 6.462 0.371 3.488 1.00 0.00 C ATOM 760 O ILE A 54 7.497 0.877 3.054 1.00 0.00 O ATOM 761 CB ILE A 54 5.606 -0.391 1.270 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.405 -0.412 0.323 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.132 -1.800 1.500 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.238 -1.221 0.845 1.00 0.00 C ATOM 0 H ILE A 54 4.648 1.912 1.450 1.00 0.00 H new ATOM 0 HA ILE A 54 4.479 -0.363 3.110 1.00 0.00 H new ATOM 0 HB ILE A 54 6.397 0.200 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.076 0.612 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.718 -0.819 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.401 -2.248 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.012 -1.760 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.360 -2.403 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.423 -1.192 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.551 -2.254 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.899 -0.801 1.792 1.00 0.00 H new ATOM 776 N ILE A 55 6.352 -0.109 4.722 1.00 0.00 N ATOM 777 CA ILE A 55 7.468 -0.068 5.659 1.00 0.00 C ATOM 778 C ILE A 55 8.418 -1.239 5.434 1.00 0.00 C ATOM 779 O ILE A 55 9.624 -1.052 5.279 1.00 0.00 O ATOM 780 CB ILE A 55 6.978 -0.091 7.119 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.972 1.035 7.360 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.156 0.029 8.074 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.945 0.711 8.423 1.00 0.00 C ATOM 0 H ILE A 55 5.502 -0.531 5.096 1.00 0.00 H new ATOM 0 HA ILE A 55 7.999 0.867 5.477 1.00 0.00 H new ATOM 0 HB ILE A 55 6.480 -1.042 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.511 1.937 7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.458 1.258 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.794 0.011 9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.839 -0.805 7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.680 0.967 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.265 1.554 8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.380 -0.172 8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.450 0.517 9.369 1.00 0.00 H new ATOM 795 N ASN A 56 7.865 -2.447 5.415 1.00 0.00 N ATOM 796 CA ASN A 56 8.663 -3.650 5.208 1.00 0.00 C ATOM 797 C ASN A 56 8.045 -4.534 4.128 1.00 0.00 C ATOM 798 O ASN A 56 6.854 -4.840 4.169 1.00 0.00 O ATOM 799 CB ASN A 56 8.789 -4.436 6.515 1.00 0.00 C ATOM 800 CG ASN A 56 10.081 -5.225 6.593 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.714 -5.504 5.574 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.480 -5.588 7.806 1.00 0.00 N ATOM 0 H ASN A 56 6.867 -2.619 5.540 1.00 0.00 H new ATOM 0 HA ASN A 56 9.656 -3.344 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.737 -3.746 7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.944 -5.118 6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.343 -6.120 7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.924 -5.335 8.623 1.00 0.00 H new ATOM 809 N ASN A 57 8.863 -4.940 3.164 1.00 0.00 N ATOM 810 CA ASN A 57 8.397 -5.789 2.073 1.00 0.00 C ATOM 811 C ASN A 57 9.209 -7.079 2.002 1.00 0.00 C ATOM 812 O ASN A 57 9.600 -7.521 0.921 1.00 0.00 O ATOM 813 CB ASN A 57 8.491 -5.041 0.741 1.00 0.00 C ATOM 814 CG ASN A 57 9.919 -4.683 0.377 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.633 -5.478 -0.234 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.342 -3.482 0.754 1.00 0.00 N ATOM 0 H ASN A 57 9.852 -4.695 3.115 1.00 0.00 H new ATOM 0 HA ASN A 57 7.355 -6.046 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.061 -5.657 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.894 -4.131 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.294 -3.186 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.715 -2.856 1.259 1.00 0.00 H new ATOM 823 N THR A 58 9.460 -7.678 3.162 1.00 0.00 N ATOM 824 CA THR A 58 10.225 -8.917 3.232 1.00 0.00 C ATOM 825 C THR A 58 9.330 -10.130 3.005 1.00 0.00 C ATOM 826 O THR A 58 9.683 -11.041 2.257 1.00 0.00 O ATOM 827 CB THR A 58 10.933 -9.063 4.592 1.00 0.00 C ATOM 828 OG1 THR A 58 11.720 -10.259 4.609 1.00 0.00 O ATOM 829 CG2 THR A 58 9.921 -9.100 5.728 1.00 0.00 C ATOM 0 H THR A 58 9.145 -7.325 4.066 1.00 0.00 H new ATOM 0 HA THR A 58 10.975 -8.870 2.443 1.00 0.00 H new ATOM 0 HB THR A 58 11.583 -8.199 4.733 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.168 -10.344 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.445 -9.204 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.343 -8.176 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.249 -9.947 5.590 1.00 0.00 H new ATOM 837 N GLU A 59 8.170 -10.134 3.654 1.00 0.00 N ATOM 838 CA GLU A 59 7.225 -11.236 3.522 1.00 0.00 C ATOM 839 C GLU A 59 6.278 -11.003 2.348 1.00 0.00 C ATOM 840 O GLU A 59 5.346 -10.205 2.437 1.00 0.00 O ATOM 841 CB GLU A 59 6.422 -11.407 4.813 1.00 0.00 C ATOM 842 CG GLU A 59 7.265 -11.837 6.002 1.00 0.00 C ATOM 843 CD GLU A 59 6.476 -12.644 7.015 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.331 -12.254 7.323 1.00 0.00 O ATOM 845 OE2 GLU A 59 7.005 -13.667 7.499 1.00 0.00 O ATOM 0 H GLU A 59 7.862 -9.387 4.276 1.00 0.00 H new ATOM 0 HA GLU A 59 7.793 -12.147 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.927 -10.465 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.638 -12.146 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.109 -12.430 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.677 -10.953 6.489 1.00 0.00 H new ATOM 852 N GLY A 60 6.525 -11.707 1.247 1.00 0.00 N ATOM 853 CA GLY A 60 5.688 -11.562 0.071 1.00 0.00 C ATOM 854 C GLY A 60 4.217 -11.759 0.379 1.00 0.00 C ATOM 855 O GLY A 60 3.361 -11.071 -0.178 1.00 0.00 O ATOM 0 H GLY A 60 7.290 -12.375 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.837 -10.571 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.998 -12.285 -0.683 1.00 0.00 H new ATOM 859 N ASP A 61 3.921 -12.702 1.268 1.00 0.00 N ATOM 860 CA ASP A 61 2.543 -12.988 1.649 1.00 0.00 C ATOM 861 C ASP A 61 1.849 -11.731 2.163 1.00 0.00 C ATOM 862 O ASP A 61 0.764 -11.376 1.701 1.00 0.00 O ATOM 863 CB ASP A 61 2.503 -14.081 2.718 1.00 0.00 C ATOM 864 CG ASP A 61 3.343 -15.287 2.345 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.511 -15.096 1.948 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.831 -16.421 2.449 1.00 0.00 O ATOM 0 H ASP A 61 4.617 -13.281 1.738 1.00 0.00 H new ATOM 0 HA ASP A 61 2.013 -13.338 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.859 -13.673 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.471 -14.395 2.874 1.00 0.00 H new ATOM 871 N TRP A 62 2.481 -11.062 3.121 1.00 0.00 N ATOM 872 CA TRP A 62 1.923 -9.845 3.698 1.00 0.00 C ATOM 873 C TRP A 62 3.011 -8.801 3.923 1.00 0.00 C ATOM 874 O TRP A 62 4.098 -9.118 4.406 1.00 0.00 O ATOM 875 CB TRP A 62 1.220 -10.158 5.020 1.00 0.00 C ATOM 876 CG TRP A 62 0.119 -11.166 4.883 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.257 -12.502 4.636 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.288 -10.917 4.982 1.00 0.00 C ATOM 879 NE1 TRP A 62 -0.979 -13.099 4.576 1.00 0.00 N ATOM 880 CE2 TRP A 62 -1.943 -12.148 4.786 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.057 -9.775 5.220 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.330 -12.266 4.819 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.433 -9.894 5.252 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.058 -11.132 5.054 1.00 0.00 C ATOM 0 H TRP A 62 3.380 -11.342 3.514 1.00 0.00 H new ATOM 0 HA TRP A 62 1.196 -9.440 2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.955 -10.528 5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.810 -9.236 5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.199 -13.014 4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.151 -14.089 4.403 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.584 -8.817 5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.814 -13.219 4.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.037 -9.017 5.433 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.136 -11.192 5.088 1.00 0.00 H new ATOM 895 N TRP A 63 2.713 -7.556 3.568 1.00 0.00 N ATOM 896 CA TRP A 63 3.667 -6.465 3.732 1.00 0.00 C ATOM 897 C TRP A 63 3.219 -5.509 4.832 1.00 0.00 C ATOM 898 O TRP A 63 2.024 -5.272 5.010 1.00 0.00 O ATOM 899 CB TRP A 63 3.834 -5.705 2.415 1.00 0.00 C ATOM 900 CG TRP A 63 4.490 -6.516 1.340 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.341 -7.570 1.512 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.350 -6.338 -0.074 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.739 -8.058 0.291 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.144 -7.320 -0.698 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.630 -5.446 -0.873 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.237 -7.432 -2.083 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.724 -5.559 -2.248 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.521 -6.546 -2.841 1.00 0.00 C ATOM 0 H TRP A 63 1.819 -7.277 3.165 1.00 0.00 H new ATOM 0 HA TRP A 63 4.626 -6.895 4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.855 -5.377 2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.425 -4.807 2.595 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.655 -7.962 2.468 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.374 -8.842 0.145 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.011 -4.682 -0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.852 -8.191 -2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.173 -4.874 -2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.572 -6.609 -3.918 1.00 0.00 H new ATOM 919 N GLU A 64 4.183 -4.964 5.566 1.00 0.00 N ATOM 920 CA GLU A 64 3.885 -4.035 6.649 1.00 0.00 C ATOM 921 C GLU A 64 3.882 -2.594 6.145 1.00 0.00 C ATOM 922 O GLU A 64 4.907 -2.079 5.700 1.00 0.00 O ATOM 923 CB GLU A 64 4.906 -4.189 7.779 1.00 0.00 C ATOM 924 CG GLU A 64 4.573 -3.370 9.015 1.00 0.00 C ATOM 925 CD GLU A 64 5.347 -3.822 10.239 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.579 -3.994 10.133 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.719 -4.003 11.303 1.00 0.00 O ATOM 0 H GLU A 64 5.177 -5.150 5.431 1.00 0.00 H new ATOM 0 HA GLU A 64 2.892 -4.270 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.972 -5.241 8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.889 -3.894 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.790 -2.320 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.505 -3.443 9.218 1.00 0.00 H new ATOM 934 N ALA A 65 2.721 -1.951 6.217 1.00 0.00 N ATOM 935 CA ALA A 65 2.584 -0.571 5.769 1.00 0.00 C ATOM 936 C ALA A 65 1.883 0.281 6.822 1.00 0.00 C ATOM 937 O ALA A 65 1.221 -0.244 7.718 1.00 0.00 O ATOM 938 CB ALA A 65 1.825 -0.516 4.452 1.00 0.00 C ATOM 0 H ALA A 65 1.862 -2.364 6.581 1.00 0.00 H new ATOM 0 HA ALA A 65 3.584 -0.164 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.730 0.521 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.367 -1.083 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.833 -0.946 4.586 1.00 0.00 H new ATOM 944 N ARG A 66 2.032 1.596 6.708 1.00 0.00 N ATOM 945 CA ARG A 66 1.414 2.520 7.652 1.00 0.00 C ATOM 946 C ARG A 66 0.518 3.519 6.927 1.00 0.00 C ATOM 947 O ARG A 66 1.001 4.468 6.309 1.00 0.00 O ATOM 948 CB ARG A 66 2.488 3.265 8.446 1.00 0.00 C ATOM 949 CG ARG A 66 1.927 4.305 9.402 1.00 0.00 C ATOM 950 CD ARG A 66 2.990 5.310 9.818 1.00 0.00 C ATOM 951 NE ARG A 66 3.560 6.010 8.670 1.00 0.00 N ATOM 952 CZ ARG A 66 4.717 6.661 8.707 1.00 0.00 C ATOM 953 NH1 ARG A 66 5.424 6.701 9.829 1.00 0.00 N ATOM 954 NH2 ARG A 66 5.171 7.274 7.621 1.00 0.00 N ATOM 0 H ARG A 66 2.575 2.046 5.971 1.00 0.00 H new ATOM 0 HA ARG A 66 0.800 1.940 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.076 2.543 9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.169 3.754 7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.097 4.828 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.527 3.809 10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.554 6.035 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.784 4.795 10.359 1.00 0.00 H new ATOM 0 HE ARG A 66 3.041 5.998 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.079 6.231 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.312 7.202 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.631 7.246 6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.060 7.774 7.651 1.00 0.00 H new ATOM 968 N SER A 67 -0.791 3.299 7.006 1.00 0.00 N ATOM 969 CA SER A 67 -1.755 4.177 6.354 1.00 0.00 C ATOM 970 C SER A 67 -1.342 5.639 6.498 1.00 0.00 C ATOM 971 O SER A 67 -0.841 6.053 7.544 1.00 0.00 O ATOM 972 CB SER A 67 -3.150 3.968 6.947 1.00 0.00 C ATOM 973 OG SER A 67 -3.467 2.590 7.032 1.00 0.00 O ATOM 0 H SER A 67 -1.208 2.520 7.515 1.00 0.00 H new ATOM 0 HA SER A 67 -1.778 3.927 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.198 4.417 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.891 4.477 6.330 1.00 0.00 H new ATOM 0 HG SER A 67 -3.404 2.184 6.142 1.00 0.00 H new ATOM 979 N ILE A 68 -1.557 6.414 5.441 1.00 0.00 N ATOM 980 CA ILE A 68 -1.209 7.830 5.449 1.00 0.00 C ATOM 981 C ILE A 68 -2.399 8.686 5.867 1.00 0.00 C ATOM 982 O ILE A 68 -2.279 9.552 6.734 1.00 0.00 O ATOM 983 CB ILE A 68 -0.716 8.296 4.066 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.333 7.325 3.520 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.146 9.704 4.155 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.678 7.563 2.067 1.00 0.00 C ATOM 0 H ILE A 68 -1.970 6.086 4.568 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.404 7.953 6.173 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.563 8.309 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.240 7.408 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.033 6.305 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.198 10.020 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.919 10.388 4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.691 9.714 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.427 6.839 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.218 7.451 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.074 8.571 1.948 1.00 0.00 H new ATOM 998 N ALA A 69 -3.548 8.437 5.247 1.00 0.00 N ATOM 999 CA ALA A 69 -4.761 9.182 5.558 1.00 0.00 C ATOM 1000 C ALA A 69 -5.137 9.031 7.028 1.00 0.00 C ATOM 1001 O ALA A 69 -5.173 10.009 7.775 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.906 8.722 4.668 1.00 0.00 C ATOM 0 H ALA A 69 -3.664 7.725 4.526 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.568 10.238 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.806 9.287 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.644 8.889 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.089 7.660 4.831 1.00 0.00 H new ATOM 1008 N THR A 70 -5.419 7.798 7.438 1.00 0.00 N ATOM 1009 CA THR A 70 -5.794 7.518 8.818 1.00 0.00 C ATOM 1010 C THR A 70 -4.574 7.526 9.732 1.00 0.00 C ATOM 1011 O THR A 70 -4.512 8.290 10.694 1.00 0.00 O ATOM 1012 CB THR A 70 -6.506 6.158 8.942 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.615 5.103 8.565 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.749 6.116 8.067 1.00 0.00 C ATOM 0 H THR A 70 -5.395 6.977 6.833 1.00 0.00 H new ATOM 0 HA THR A 70 -6.480 8.308 9.125 1.00 0.00 H new ATOM 0 HB THR A 70 -6.808 6.024 9.981 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.105 4.431 8.046 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.235 5.146 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.438 6.902 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.466 6.270 7.026 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.604 6.670 9.425 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.398 6.595 10.229 1.00 0.00 C ATOM 1024 C GLY A 71 -2.234 5.248 10.904 1.00 0.00 C ATOM 1025 O GLY A 71 -1.398 5.088 11.793 1.00 0.00 O ATOM 0 H GLY A 71 -3.632 6.027 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.531 6.789 9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.421 7.378 10.987 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.036 4.276 10.483 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.977 2.935 11.052 1.00 0.00 C ATOM 1031 C LYS A 72 -1.702 2.216 10.621 1.00 0.00 C ATOM 1032 O LYS A 72 -0.921 2.740 9.827 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.202 2.123 10.626 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.513 2.678 11.153 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.678 1.755 10.836 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.312 2.098 9.497 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.647 1.458 9.335 1.00 0.00 N ATOM 0 H LYS A 72 -3.735 4.392 9.749 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.971 3.029 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.244 2.088 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.086 1.097 10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.442 2.818 12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.696 3.659 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.331 0.722 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.427 1.829 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.415 3.180 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.654 1.775 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.677 0.940 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.812 0.796 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.386 2.190 9.338 1.00 0.00 H new ATOM 1051 N SER A 73 -1.499 1.013 11.148 1.00 0.00 N ATOM 1052 CA SER A 73 -0.318 0.223 10.820 1.00 0.00 C ATOM 1053 C SER A 73 -0.576 -1.263 11.052 1.00 0.00 C ATOM 1054 O SER A 73 -1.226 -1.647 12.023 1.00 0.00 O ATOM 1055 CB SER A 73 0.877 0.682 11.657 1.00 0.00 C ATOM 1056 OG SER A 73 0.549 0.721 13.035 1.00 0.00 O ATOM 0 H SER A 73 -2.138 0.564 11.804 1.00 0.00 H new ATOM 0 HA SER A 73 -0.092 0.374 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.717 0.006 11.499 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.197 1.671 11.328 1.00 0.00 H new ATOM 0 HG SER A 73 1.330 1.016 13.549 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.061 -2.094 10.151 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.246 -3.528 10.274 1.00 0.00 C ATOM 1064 C GLY A 74 0.334 -4.290 9.099 1.00 0.00 C ATOM 1065 O GLY A 74 1.420 -3.969 8.617 1.00 0.00 O ATOM 0 H GLY A 74 0.481 -1.800 9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.223 -3.874 11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.310 -3.748 10.356 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.391 -5.303 8.637 1.00 0.00 N ATOM 1070 CA TYR A 75 0.059 -6.116 7.514 1.00 0.00 C ATOM 1071 C TYR A 75 -1.027 -6.222 6.448 1.00 0.00 C ATOM 1072 O TYR A 75 -2.172 -6.563 6.744 1.00 0.00 O ATOM 1073 CB TYR A 75 0.456 -7.513 7.995 1.00 0.00 C ATOM 1074 CG TYR A 75 1.529 -7.505 9.059 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.616 -6.643 8.971 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.459 -8.360 10.152 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.600 -6.632 9.941 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.437 -8.355 11.127 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.506 -7.490 11.017 1.00 0.00 C ATOM 1080 OH TYR A 75 4.483 -7.483 11.985 1.00 0.00 O ATOM 0 H TYR A 75 -1.293 -5.580 9.023 1.00 0.00 H new ATOM 0 HA TYR A 75 0.929 -5.630 7.073 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.427 -8.018 8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.806 -8.096 7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.693 -5.970 8.130 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.625 -9.040 10.241 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.438 -5.956 9.857 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.365 -9.025 11.971 1.00 0.00 H new ATOM 0 HH TYR A 75 4.266 -8.146 12.674 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.658 -5.928 5.205 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.599 -5.992 4.094 1.00 0.00 C ATOM 1092 C ILE A 76 -1.102 -6.937 3.006 1.00 0.00 C ATOM 1093 O ILE A 76 0.089 -6.998 2.698 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.839 -4.600 3.479 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.512 -3.977 3.040 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.551 -3.697 4.474 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.673 -2.653 2.327 1.00 0.00 C ATOM 0 H ILE A 76 0.286 -5.643 4.943 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.539 -6.369 4.498 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.475 -4.712 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.120 -3.834 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.007 -4.674 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.713 -2.717 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.512 -4.137 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.939 -3.589 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.308 -2.270 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.279 -2.793 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.164 -1.940 2.990 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.034 -7.693 2.408 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.715 -8.648 1.343 1.00 0.00 C ATOM 1111 C PRO A 77 -1.305 -7.956 0.047 1.00 0.00 C ATOM 1112 O PRO A 77 -2.067 -7.171 -0.517 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.027 -9.413 1.148 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.086 -8.473 1.609 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.472 -7.673 2.725 1.00 0.00 C ATOM 0 HA PRO A 77 -0.869 -9.284 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.172 -9.691 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.037 -10.336 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.412 -7.823 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.966 -9.016 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.863 -6.656 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.675 -8.119 3.698 1.00 0.00 H new ATOM 1123 N SER A 78 -0.096 -8.253 -0.419 1.00 0.00 N ATOM 1124 CA SER A 78 0.417 -7.657 -1.647 1.00 0.00 C ATOM 1125 C SER A 78 -0.380 -8.133 -2.857 1.00 0.00 C ATOM 1126 O SER A 78 -0.150 -7.687 -3.980 1.00 0.00 O ATOM 1127 CB SER A 78 1.896 -8.003 -1.828 1.00 0.00 C ATOM 1128 OG SER A 78 2.067 -9.381 -2.109 1.00 0.00 O ATOM 0 H SER A 78 0.546 -8.902 0.035 1.00 0.00 H new ATOM 0 HA SER A 78 0.311 -6.575 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.315 -7.408 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.447 -7.742 -0.924 1.00 0.00 H new ATOM 0 HG SER A 78 2.523 -9.814 -1.357 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.318 -9.044 -2.618 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.150 -9.583 -3.688 1.00 0.00 C ATOM 1136 C ASN A 79 -3.394 -8.724 -3.896 1.00 0.00 C ATOM 1137 O ASN A 79 -4.169 -8.950 -4.825 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.559 -11.023 -3.369 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.554 -12.036 -3.881 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.944 -11.845 -4.934 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.377 -13.122 -3.138 1.00 0.00 N ATOM 0 H ASN A 79 -1.521 -9.424 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.565 -9.573 -4.608 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.668 -11.136 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.534 -11.227 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.714 -13.839 -3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.904 -13.239 -2.272 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.577 -7.738 -3.024 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.727 -6.846 -3.111 1.00 0.00 C ATOM 1150 C TYR A 80 -4.287 -5.419 -3.422 1.00 0.00 C ATOM 1151 O TYR A 80 -4.976 -4.685 -4.131 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.520 -6.874 -1.803 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.609 -7.922 -1.777 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.396 -9.187 -2.310 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.851 -7.647 -1.218 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.389 -10.147 -2.289 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.849 -8.602 -1.191 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.614 -9.850 -1.728 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.605 -10.805 -1.704 1.00 0.00 O ATOM 0 H TYR A 80 -2.944 -7.537 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.365 -7.195 -3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.834 -7.055 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.967 -5.894 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.438 -9.424 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.039 -6.670 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.207 -11.125 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.808 -8.372 -0.751 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.404 -10.436 -1.274 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.134 -5.032 -2.886 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.599 -3.694 -3.107 1.00 0.00 C ATOM 1171 C VAL A 81 -1.483 -3.712 -4.146 1.00 0.00 C ATOM 1172 O VAL A 81 -0.638 -4.607 -4.150 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.058 -3.083 -1.800 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.175 -2.934 -0.778 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.925 -3.932 -1.244 1.00 0.00 C ATOM 0 H VAL A 81 -2.552 -5.626 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.422 -3.081 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.664 -2.091 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.774 -2.501 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.950 -2.281 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.602 -3.913 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.555 -3.486 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.291 -4.938 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.116 -3.981 -1.973 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.486 -2.717 -5.027 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.474 -2.617 -6.071 1.00 0.00 C ATOM 1187 C VAL A 82 0.166 -1.233 -6.086 1.00 0.00 C ATOM 1188 O VAL A 82 -0.439 -0.238 -5.687 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.070 -2.910 -7.461 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.102 -4.024 -7.375 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.680 -1.650 -8.055 1.00 0.00 C ATOM 0 H VAL A 82 -2.179 -1.968 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 82 0.287 -3.364 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.267 -3.242 -8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.512 -4.217 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.629 -4.930 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.905 -3.725 -6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.096 -1.875 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.471 -1.285 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.910 -0.885 -8.154 1.00 0.00 H new ATOM 1201 N PRO A 83 1.420 -1.166 -6.558 1.00 0.00 N ATOM 1202 CA PRO A 83 2.169 0.092 -6.637 1.00 0.00 C ATOM 1203 C PRO A 83 1.613 1.031 -7.702 1.00 0.00 C ATOM 1204 O PRO A 83 1.359 0.620 -8.834 1.00 0.00 O ATOM 1205 CB PRO A 83 3.583 -0.361 -7.009 1.00 0.00 C ATOM 1206 CG PRO A 83 3.393 -1.666 -7.702 1.00 0.00 C ATOM 1207 CD PRO A 83 2.202 -2.312 -7.050 1.00 0.00 C ATOM 0 HA PRO A 83 2.118 0.656 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.073 0.364 -7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.209 -0.470 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.223 -1.520 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.279 -2.293 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.632 -2.913 -7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.499 -2.975 -6.237 1.00 0.00 H new ATOM 1215 N ALA A 84 1.428 2.294 -7.332 1.00 0.00 N ATOM 1216 CA ALA A 84 0.905 3.292 -8.256 1.00 0.00 C ATOM 1217 C ALA A 84 1.837 3.478 -9.449 1.00 0.00 C ATOM 1218 O ALA A 84 1.506 4.180 -10.404 1.00 0.00 O ATOM 1219 CB ALA A 84 0.692 4.616 -7.538 1.00 0.00 C ATOM 0 H ALA A 84 1.633 2.650 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.055 2.936 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.301 5.352 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.019 4.478 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.641 4.968 -7.135 1.00 0.00 H new ATOM 1225 N ASP A 85 3.004 2.846 -9.385 1.00 0.00 N ATOM 1226 CA ASP A 85 3.984 2.942 -10.460 1.00 0.00 C ATOM 1227 C ASP A 85 3.838 1.777 -11.435 1.00 0.00 C ATOM 1228 O ASP A 85 3.916 1.957 -12.650 1.00 0.00 O ATOM 1229 CB ASP A 85 5.402 2.968 -9.886 1.00 0.00 C ATOM 1230 CG ASP A 85 5.493 3.777 -8.607 1.00 0.00 C ATOM 1231 OD1 ASP A 85 4.849 4.844 -8.532 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.209 3.342 -7.681 1.00 0.00 O ATOM 0 H ASP A 85 3.294 2.262 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 85 3.802 3.870 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.731 1.947 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.083 3.387 -10.627 1.00 0.00 H new ATOM 1237 N SER A 86 3.627 0.582 -10.893 1.00 0.00 N ATOM 1238 CA SER A 86 3.474 -0.614 -11.714 1.00 0.00 C ATOM 1239 C SER A 86 2.032 -1.111 -11.687 1.00 0.00 C ATOM 1240 O SER A 86 1.774 -2.306 -11.831 1.00 0.00 O ATOM 1241 CB SER A 86 4.415 -1.717 -11.225 1.00 0.00 C ATOM 1242 OG SER A 86 5.660 -1.661 -11.899 1.00 0.00 O ATOM 0 H SER A 86 3.558 0.416 -9.889 1.00 0.00 H new ATOM 0 HA SER A 86 3.731 -0.355 -12.741 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.574 -1.614 -10.152 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.954 -2.691 -11.387 1.00 0.00 H new ATOM 0 HG SER A 86 6.244 -2.375 -11.567 1.00 0.00 H new ATOM 1248 N ILE A 87 1.097 -0.185 -11.503 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.319 -0.528 -11.459 1.00 0.00 C ATOM 1250 C ILE A 87 -0.667 -1.564 -12.523 1.00 0.00 C ATOM 1251 O ILE A 87 -0.780 -1.239 -13.705 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.206 0.715 -11.660 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.523 1.955 -11.078 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.568 0.503 -11.016 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.480 3.086 -10.776 1.00 0.00 C ATOM 0 H ILE A 87 1.295 0.808 -11.382 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.512 -0.946 -10.471 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.351 0.871 -12.729 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.002 1.677 -10.162 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.233 2.307 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.184 1.390 -11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.056 -0.359 -11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.442 0.326 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.927 3.931 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.983 3.392 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.221 2.752 -10.050 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.837 -2.810 -12.094 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.173 -3.893 -13.010 1.00 0.00 C ATOM 1269 C GLN A 88 -2.650 -3.846 -13.389 1.00 0.00 C ATOM 1270 O GLN A 88 -3.070 -4.467 -14.365 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.840 -5.246 -12.378 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.466 -5.449 -11.008 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.157 -6.812 -10.421 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -0.365 -6.932 -9.485 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -1.782 -7.848 -10.968 1.00 0.00 N ATOM 0 H GLN A 88 -0.748 -3.094 -11.119 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.579 -3.767 -13.915 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.177 -6.041 -13.043 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.242 -5.340 -12.291 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.106 -4.675 -10.330 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.546 -5.327 -11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.430 -7.702 -11.742 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.614 -8.790 -10.614 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.432 -3.107 -12.611 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.862 -2.977 -12.866 1.00 0.00 C ATOM 1286 C ALA A 89 -5.259 -1.515 -13.039 1.00 0.00 C ATOM 1287 O ALA A 89 -6.407 -1.143 -12.803 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.659 -3.613 -11.737 1.00 0.00 C ATOM 0 H ALA A 89 -3.100 -2.588 -11.798 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.089 -3.499 -13.795 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.725 -3.509 -11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.405 -4.671 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.419 -3.116 -10.797 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.300 -0.691 -13.452 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.551 0.731 -13.654 1.00 0.00 C ATOM 1296 C GLU A 90 -5.963 0.964 -14.185 1.00 0.00 C ATOM 1297 O GLU A 90 -6.574 1.998 -13.918 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.525 1.319 -14.625 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.148 0.378 -15.756 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.696 0.514 -16.169 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.281 1.638 -16.522 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -0.973 -0.504 -16.138 1.00 0.00 O ATOM 0 H GLU A 90 -3.344 -0.984 -13.653 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.457 1.232 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.925 2.240 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.625 1.587 -14.071 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.339 -0.650 -15.447 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.787 0.576 -16.617 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.473 -0.005 -14.938 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.811 0.095 -15.508 1.00 0.00 C ATOM 1311 C GLU A 91 -8.775 0.748 -14.521 1.00 0.00 C ATOM 1312 O GLU A 91 -9.677 1.488 -14.915 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.328 -1.290 -15.901 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.377 -2.061 -16.801 1.00 0.00 C ATOM 1315 CD GLU A 91 -6.408 -2.927 -16.020 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -6.858 -3.915 -15.404 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -5.198 -2.616 -16.026 1.00 0.00 O ATOM 0 H GLU A 91 -5.980 -0.868 -15.167 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.752 0.719 -16.400 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.510 -1.871 -14.997 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.287 -1.180 -16.408 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.954 -2.689 -17.480 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.815 -1.358 -17.417 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.578 0.468 -13.238 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.429 1.028 -12.194 1.00 0.00 C ATOM 1326 C TRP A 92 -9.378 2.551 -12.208 1.00 0.00 C ATOM 1327 O TRP A 92 -10.409 3.218 -12.116 1.00 0.00 O ATOM 1328 CB TRP A 92 -9.001 0.503 -10.823 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.636 0.962 -10.411 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.491 0.218 -10.394 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.273 2.270 -9.954 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.438 0.984 -9.954 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.892 2.247 -9.679 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.980 3.458 -9.753 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.207 3.366 -9.212 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.299 4.568 -9.290 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.924 4.516 -9.024 1.00 0.00 C ATOM 0 H TRP A 92 -7.837 -0.143 -12.895 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.455 0.717 -12.390 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.726 0.826 -10.076 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -9.021 -0.587 -10.837 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.423 -0.820 -10.684 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.475 0.664 -9.849 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.040 3.508 -9.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.148 3.327 -9.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.836 5.491 -9.130 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.421 5.401 -8.664 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.172 3.097 -12.323 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.987 4.543 -12.347 1.00 0.00 C ATOM 1350 C TYR A 93 -8.278 5.107 -13.734 1.00 0.00 C ATOM 1351 O TYR A 93 -8.761 6.232 -13.871 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.561 4.903 -11.927 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.612 5.073 -13.091 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.804 6.080 -14.029 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.521 4.227 -13.253 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.940 6.239 -15.095 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.650 4.380 -14.315 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.865 5.386 -15.234 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.000 5.542 -16.293 1.00 0.00 O ATOM 0 H TYR A 93 -7.308 2.560 -12.401 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.689 4.985 -11.640 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.584 5.827 -11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.178 4.124 -11.267 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.644 6.751 -13.923 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.351 3.437 -12.537 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.105 7.027 -15.815 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.806 3.716 -14.425 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.411 5.183 -17.107 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.982 4.318 -14.761 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.211 4.737 -16.139 1.00 0.00 C ATOM 1371 C PHE A 94 -9.686 5.048 -16.374 1.00 0.00 C ATOM 1372 O PHE A 94 -10.028 6.052 -16.999 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.746 3.648 -17.109 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.314 3.797 -17.535 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.953 4.740 -18.484 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.327 2.993 -16.986 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.636 4.879 -18.878 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.008 3.128 -17.376 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.662 4.071 -18.324 1.00 0.00 C ATOM 0 H PHE A 94 -7.583 3.384 -14.665 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.634 5.644 -16.318 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.877 2.673 -16.639 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.383 3.664 -17.993 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.710 5.374 -18.921 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.592 2.253 -16.245 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.368 5.618 -19.618 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.248 2.496 -16.940 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.632 4.176 -18.632 1.00 0.00 H new ATOM 1389 N GLY A 95 -10.556 4.179 -15.870 1.00 0.00 N ATOM 1390 CA GLY A 95 -11.984 4.378 -16.036 1.00 0.00 C ATOM 1391 C GLY A 95 -12.641 4.933 -14.788 1.00 0.00 C ATOM 1392 O GLY A 95 -13.370 5.923 -14.848 1.00 0.00 O ATOM 0 H GLY A 95 -10.298 3.341 -15.350 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.158 5.060 -16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.452 3.429 -16.298 1.00 0.00 H new ATOM 1396 N LYS A 96 -12.385 4.293 -13.652 1.00 0.00 N ATOM 1397 CA LYS A 96 -12.957 4.727 -12.383 1.00 0.00 C ATOM 1398 C LYS A 96 -11.991 5.640 -11.634 1.00 0.00 C ATOM 1399 O LYS A 96 -11.110 5.169 -10.915 1.00 0.00 O ATOM 1400 CB LYS A 96 -13.306 3.516 -11.516 1.00 0.00 C ATOM 1401 CG LYS A 96 -14.144 3.861 -10.296 1.00 0.00 C ATOM 1402 CD LYS A 96 -15.593 4.120 -10.671 1.00 0.00 C ATOM 1403 CE LYS A 96 -16.433 4.456 -9.448 1.00 0.00 C ATOM 1404 NZ LYS A 96 -16.619 3.274 -8.561 1.00 0.00 N ATOM 0 H LYS A 96 -11.785 3.471 -13.584 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.867 5.287 -12.597 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.845 2.789 -12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.384 3.036 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.094 3.044 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.730 4.743 -9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.644 4.941 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -16.005 3.241 -11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.954 5.259 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.407 4.827 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.305 3.505 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.974 2.472 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.709 3.018 -8.128 1.00 0.00 H new ATOM 1418 N MET A 97 -12.162 6.946 -11.808 1.00 0.00 N ATOM 1419 CA MET A 97 -11.306 7.924 -11.146 1.00 0.00 C ATOM 1420 C MET A 97 -11.980 9.291 -11.097 1.00 0.00 C ATOM 1421 O MET A 97 -13.053 9.486 -11.666 1.00 0.00 O ATOM 1422 CB MET A 97 -9.963 8.029 -11.870 1.00 0.00 C ATOM 1423 CG MET A 97 -10.063 8.666 -13.247 1.00 0.00 C ATOM 1424 SD MET A 97 -8.458 9.164 -13.901 1.00 0.00 S ATOM 1425 CE MET A 97 -8.076 10.554 -12.837 1.00 0.00 C ATOM 0 H MET A 97 -12.885 7.352 -12.402 1.00 0.00 H new ATOM 0 HA MET A 97 -11.134 7.588 -10.124 1.00 0.00 H new ATOM 0 HB2 MET A 97 -9.274 8.612 -11.258 1.00 0.00 H new ATOM 0 HB3 MET A 97 -9.535 7.032 -11.970 1.00 0.00 H new ATOM 0 HG2 MET A 97 -10.529 7.961 -13.936 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.715 9.538 -13.193 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.322 11.181 -13.314 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.979 11.140 -12.665 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.694 10.188 -11.884 1.00 0.00 H new ATOM 1435 N GLY A 98 -11.342 10.236 -10.413 1.00 0.00 N ATOM 1436 CA GLY A 98 -11.895 11.573 -10.302 1.00 0.00 C ATOM 1437 C GLY A 98 -11.702 12.387 -11.566 1.00 0.00 C ATOM 1438 O GLY A 98 -12.165 11.999 -12.639 1.00 0.00 O ATOM 0 H GLY A 98 -10.452 10.099 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.959 11.505 -10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.424 12.089 -9.466 1.00 0.00 H new ATOM 1442 N ARG A 99 -11.018 13.520 -11.440 1.00 0.00 N ATOM 1443 CA ARG A 99 -10.767 14.392 -12.581 1.00 0.00 C ATOM 1444 C ARG A 99 -9.804 13.736 -13.566 1.00 0.00 C ATOM 1445 O ARG A 99 -8.599 13.667 -13.320 1.00 0.00 O ATOM 1446 CB ARG A 99 -10.198 15.732 -12.110 1.00 0.00 C ATOM 1447 CG ARG A 99 -11.139 16.508 -11.203 1.00 0.00 C ATOM 1448 CD ARG A 99 -10.836 17.998 -11.230 1.00 0.00 C ATOM 1449 NE ARG A 99 -9.575 18.312 -10.563 1.00 0.00 N ATOM 1450 CZ ARG A 99 -9.452 18.442 -9.247 1.00 0.00 C ATOM 1451 NH1 ARG A 99 -10.508 18.285 -8.461 1.00 0.00 N ATOM 1452 NH2 ARG A 99 -8.271 18.729 -8.715 1.00 0.00 N ATOM 0 H ARG A 99 -10.628 13.855 -10.559 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.716 14.566 -13.089 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.262 15.554 -11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.961 16.343 -12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.169 16.339 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.051 16.136 -10.182 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.794 18.341 -12.264 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.647 18.542 -10.746 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.743 18.438 -11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.417 18.064 -8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.411 18.385 -7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.456 18.850 -9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.178 18.829 -7.704 1.00 0.00 H new ATOM 1466 N LYS A 100 -10.343 13.254 -14.681 1.00 0.00 N ATOM 1467 CA LYS A 100 -9.532 12.604 -15.704 1.00 0.00 C ATOM 1468 C LYS A 100 -8.488 13.565 -16.263 1.00 0.00 C ATOM 1469 O LYS A 100 -8.817 14.668 -16.700 1.00 0.00 O ATOM 1470 CB LYS A 100 -10.422 12.085 -16.835 1.00 0.00 C ATOM 1471 CG LYS A 100 -11.157 10.801 -16.492 1.00 0.00 C ATOM 1472 CD LYS A 100 -12.120 10.397 -17.595 1.00 0.00 C ATOM 1473 CE LYS A 100 -13.480 11.054 -17.416 1.00 0.00 C ATOM 1474 NZ LYS A 100 -14.270 10.408 -16.331 1.00 0.00 N ATOM 0 H LYS A 100 -11.338 13.301 -14.899 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.014 11.763 -15.242 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.151 12.853 -17.093 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.809 11.917 -17.720 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.435 10.001 -16.327 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.706 10.933 -15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.704 10.677 -18.563 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.236 9.313 -17.599 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.345 12.111 -17.187 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.036 10.999 -18.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.241 10.779 -16.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.291 9.379 -16.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.830 10.614 -15.411 1.00 0.00 H new ATOM 1488 N ASP A 101 -7.230 13.139 -16.248 1.00 0.00 N ATOM 1489 CA ASP A 101 -6.138 13.961 -16.756 1.00 0.00 C ATOM 1490 C ASP A 101 -4.838 13.165 -16.809 1.00 0.00 C ATOM 1491 O ASP A 101 -4.304 12.761 -15.776 1.00 0.00 O ATOM 1492 CB ASP A 101 -5.956 15.202 -15.882 1.00 0.00 C ATOM 1493 CG ASP A 101 -5.154 16.286 -16.575 1.00 0.00 C ATOM 1494 OD1 ASP A 101 -3.999 16.012 -16.964 1.00 0.00 O ATOM 1495 OD2 ASP A 101 -5.681 17.407 -16.728 1.00 0.00 O ATOM 0 H ASP A 101 -6.941 12.229 -15.889 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.392 14.274 -17.769 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.934 15.597 -15.608 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.456 14.920 -14.956 1.00 0.00 H new ATOM 1500 N ALA A 102 -4.335 12.943 -18.019 1.00 0.00 N ATOM 1501 CA ALA A 102 -3.097 12.196 -18.206 1.00 0.00 C ATOM 1502 C ALA A 102 -2.398 12.607 -19.497 1.00 0.00 C ATOM 1503 O ALA A 102 -2.917 12.386 -20.591 1.00 0.00 O ATOM 1504 CB ALA A 102 -3.377 10.701 -18.207 1.00 0.00 C ATOM 0 H ALA A 102 -4.766 13.270 -18.884 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.432 12.428 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.444 10.156 -18.348 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.825 10.414 -17.256 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.064 10.460 -19.019 1.00 0.00 H new ATOM 1510 N GLU A 103 -1.219 13.205 -19.363 1.00 0.00 N ATOM 1511 CA GLU A 103 -0.450 13.647 -20.520 1.00 0.00 C ATOM 1512 C GLU A 103 0.120 12.455 -21.283 1.00 0.00 C ATOM 1513 O GLU A 103 0.885 11.662 -20.734 1.00 0.00 O ATOM 1514 CB GLU A 103 0.684 14.576 -20.083 1.00 0.00 C ATOM 1515 CG GLU A 103 0.230 15.997 -19.795 1.00 0.00 C ATOM 1516 CD GLU A 103 -0.624 16.095 -18.546 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -0.124 15.744 -17.457 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -1.793 16.521 -18.657 1.00 0.00 O ATOM 0 H GLU A 103 -0.775 13.395 -18.464 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.122 14.193 -21.182 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.154 14.166 -19.189 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.445 14.598 -20.863 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.104 16.638 -19.684 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.335 16.374 -20.648 1.00 0.00 H new ATOM 1525 N SER A 104 -0.259 12.335 -22.551 1.00 0.00 N ATOM 1526 CA SER A 104 0.210 11.237 -23.389 1.00 0.00 C ATOM 1527 C SER A 104 1.332 11.701 -24.313 1.00 0.00 C ATOM 1528 O SER A 104 1.380 12.862 -24.715 1.00 0.00 O ATOM 1529 CB SER A 104 -0.945 10.668 -24.215 1.00 0.00 C ATOM 1530 OG SER A 104 -1.496 11.656 -25.069 1.00 0.00 O ATOM 0 H SER A 104 -0.890 12.984 -23.021 1.00 0.00 H new ATOM 0 HA SER A 104 0.600 10.455 -22.737 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.591 9.826 -24.809 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.719 10.286 -23.549 1.00 0.00 H new ATOM 0 HG SER A 104 -2.231 11.267 -25.587 1.00 0.00 H new ATOM 1536 N GLY A 105 2.233 10.781 -24.647 1.00 0.00 N ATOM 1537 CA GLY A 105 3.342 11.114 -25.522 1.00 0.00 C ATOM 1538 C GLY A 105 3.587 10.053 -26.577 1.00 0.00 C ATOM 1539 O GLY A 105 3.272 8.878 -26.390 1.00 0.00 O ATOM 0 H GLY A 105 2.214 9.813 -24.328 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.142 12.068 -26.010 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.245 11.244 -24.926 1.00 0.00 H new ATOM 1543 N PRO A 106 4.160 10.467 -27.716 1.00 0.00 N ATOM 1544 CA PRO A 106 4.458 9.560 -28.828 1.00 0.00 C ATOM 1545 C PRO A 106 5.587 8.590 -28.498 1.00 0.00 C ATOM 1546 O PRO A 106 6.764 8.939 -28.585 1.00 0.00 O ATOM 1547 CB PRO A 106 4.879 10.506 -29.955 1.00 0.00 C ATOM 1548 CG PRO A 106 5.383 11.723 -29.260 1.00 0.00 C ATOM 1549 CD PRO A 106 4.562 11.854 -28.007 1.00 0.00 C ATOM 0 HA PRO A 106 3.605 8.929 -29.079 1.00 0.00 H new ATOM 0 HB2 PRO A 106 5.652 10.058 -30.580 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.039 10.742 -30.608 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.443 11.627 -29.024 1.00 0.00 H new ATOM 0 HG3 PRO A 106 5.276 12.605 -29.891 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.141 12.284 -27.190 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.697 12.500 -28.159 1.00 0.00 H new ATOM 1557 N SER A 107 5.221 7.369 -28.118 1.00 0.00 N ATOM 1558 CA SER A 107 6.204 6.350 -27.771 1.00 0.00 C ATOM 1559 C SER A 107 5.731 4.967 -28.211 1.00 0.00 C ATOM 1560 O SER A 107 4.593 4.799 -28.649 1.00 0.00 O ATOM 1561 CB SER A 107 6.466 6.355 -26.264 1.00 0.00 C ATOM 1562 OG SER A 107 7.773 5.892 -25.972 1.00 0.00 O ATOM 0 H SER A 107 4.251 7.062 -28.043 1.00 0.00 H new ATOM 0 HA SER A 107 7.131 6.582 -28.295 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.339 7.364 -25.873 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.733 5.724 -25.762 1.00 0.00 H new ATOM 0 HG SER A 107 7.916 5.906 -25.003 1.00 0.00 H new ATOM 1568 N SER A 108 6.613 3.981 -28.091 1.00 0.00 N ATOM 1569 CA SER A 108 6.288 2.613 -28.479 1.00 0.00 C ATOM 1570 C SER A 108 5.333 1.975 -27.475 1.00 0.00 C ATOM 1571 O SER A 108 5.700 1.720 -26.329 1.00 0.00 O ATOM 1572 CB SER A 108 7.564 1.776 -28.591 1.00 0.00 C ATOM 1573 OG SER A 108 7.270 0.450 -28.997 1.00 0.00 O ATOM 0 H SER A 108 7.558 4.103 -27.728 1.00 0.00 H new ATOM 0 HA SER A 108 5.796 2.644 -29.451 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.243 2.237 -29.308 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.078 1.760 -27.630 1.00 0.00 H new ATOM 0 HG SER A 108 8.102 -0.064 -29.063 1.00 0.00 H new ATOM 1579 N GLY A 109 4.105 1.721 -27.915 1.00 0.00 N ATOM 1580 CA GLY A 109 3.115 1.116 -27.043 1.00 0.00 C ATOM 1581 C GLY A 109 1.771 1.813 -27.119 1.00 0.00 C ATOM 1582 O GLY A 109 1.700 3.041 -27.096 1.00 0.00 O ATOM 0 H GLY A 109 3.778 1.923 -28.860 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.992 0.067 -27.311 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.477 1.142 -26.015 1.00 0.00 H new TER 1586 GLY A 109