USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 686 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 69:sc= 0.561 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.49) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.37 (180deg=-2.3!) USER MOD Single : A 18 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.05) USER MOD Single : A 19 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -112:sc= 0.622 USER MOD Single : A 34 GLN : amide:sc= -0.941 K(o=-0.94,f=-1.9!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.21 (180deg=0.208) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 59 THR OG1 : rot 81:sc= -0.323 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00908 K(o=-0.0091,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.27) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -0.797 (180deg=-1.49) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 24:sc= 1.06 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.454 13.705 -15.327 1.00 0.00 N ATOM 2 CA GLY A 1 -18.111 12.408 -14.772 1.00 0.00 C ATOM 3 C GLY A 1 -19.314 11.688 -14.196 1.00 0.00 C ATOM 4 O GLY A 1 -19.781 12.018 -13.105 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.598 14.157 -15.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.150 13.583 -16.090 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.860 14.305 -14.581 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.660 11.791 -15.549 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.361 12.537 -13.992 1.00 0.00 H new ATOM 8 N SER A 2 -19.819 10.701 -14.930 1.00 0.00 N ATOM 9 CA SER A 2 -20.979 9.936 -14.488 1.00 0.00 C ATOM 10 C SER A 2 -20.703 8.437 -14.568 1.00 0.00 C ATOM 11 O SER A 2 -20.845 7.825 -15.627 1.00 0.00 O ATOM 12 CB SER A 2 -22.202 10.288 -15.337 1.00 0.00 C ATOM 13 OG SER A 2 -22.842 11.454 -14.850 1.00 0.00 O ATOM 0 H SER A 2 -19.443 10.413 -15.833 1.00 0.00 H new ATOM 0 HA SER A 2 -21.181 10.196 -13.449 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.898 10.442 -16.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.904 9.455 -15.332 1.00 0.00 H new ATOM 0 HG SER A 2 -23.619 11.659 -15.411 1.00 0.00 H new ATOM 19 N SER A 3 -20.309 7.853 -13.442 1.00 0.00 N ATOM 20 CA SER A 3 -20.009 6.427 -13.384 1.00 0.00 C ATOM 21 C SER A 3 -21.115 5.669 -12.655 1.00 0.00 C ATOM 22 O SER A 3 -21.918 6.260 -11.935 1.00 0.00 O ATOM 23 CB SER A 3 -18.669 6.194 -12.685 1.00 0.00 C ATOM 24 OG SER A 3 -17.585 6.497 -13.546 1.00 0.00 O ATOM 0 H SER A 3 -20.190 8.345 -12.557 1.00 0.00 H new ATOM 0 HA SER A 3 -19.947 6.052 -14.406 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.610 6.813 -11.789 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.600 5.156 -12.360 1.00 0.00 H new ATOM 0 HG SER A 3 -16.740 6.342 -13.075 1.00 0.00 H new ATOM 30 N GLY A 4 -21.149 4.354 -12.849 1.00 0.00 N ATOM 31 CA GLY A 4 -22.159 3.535 -12.204 1.00 0.00 C ATOM 32 C GLY A 4 -21.924 2.052 -12.414 1.00 0.00 C ATOM 33 O GLY A 4 -21.263 1.651 -13.372 1.00 0.00 O ATOM 0 H GLY A 4 -20.495 3.841 -13.441 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.169 3.750 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.142 3.803 -12.592 1.00 0.00 H new ATOM 37 N SER A 5 -22.464 1.236 -11.515 1.00 0.00 N ATOM 38 CA SER A 5 -22.305 -0.211 -11.603 1.00 0.00 C ATOM 39 C SER A 5 -20.914 -0.574 -12.114 1.00 0.00 C ATOM 40 O SER A 5 -20.763 -1.452 -12.963 1.00 0.00 O ATOM 41 CB SER A 5 -23.371 -0.808 -12.523 1.00 0.00 C ATOM 42 OG SER A 5 -23.075 -0.545 -13.884 1.00 0.00 O ATOM 0 H SER A 5 -23.015 1.552 -10.717 1.00 0.00 H new ATOM 0 HA SER A 5 -22.426 -0.627 -10.603 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.433 -1.884 -12.362 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.347 -0.392 -12.273 1.00 0.00 H new ATOM 0 HG SER A 5 -22.285 -1.059 -14.152 1.00 0.00 H new ATOM 48 N SER A 6 -19.901 0.108 -11.589 1.00 0.00 N ATOM 49 CA SER A 6 -18.522 -0.139 -11.994 1.00 0.00 C ATOM 50 C SER A 6 -17.551 0.262 -10.888 1.00 0.00 C ATOM 51 O SER A 6 -17.885 1.059 -10.012 1.00 0.00 O ATOM 52 CB SER A 6 -18.199 0.631 -13.276 1.00 0.00 C ATOM 53 OG SER A 6 -18.100 2.022 -13.024 1.00 0.00 O ATOM 0 H SER A 6 -20.009 0.836 -10.882 1.00 0.00 H new ATOM 0 HA SER A 6 -18.410 -1.207 -12.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.262 0.267 -13.696 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.975 0.447 -14.020 1.00 0.00 H new ATOM 0 HG SER A 6 -17.891 2.492 -13.859 1.00 0.00 H new ATOM 59 N GLY A 7 -16.346 -0.298 -10.936 1.00 0.00 N ATOM 60 CA GLY A 7 -15.344 0.012 -9.933 1.00 0.00 C ATOM 61 C GLY A 7 -14.522 1.234 -10.293 1.00 0.00 C ATOM 62 O GLY A 7 -14.036 1.355 -11.418 1.00 0.00 O ATOM 0 H GLY A 7 -16.046 -0.960 -11.651 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.834 0.177 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.681 -0.844 -9.809 1.00 0.00 H new ATOM 66 N VAL A 8 -14.366 2.144 -9.336 1.00 0.00 N ATOM 67 CA VAL A 8 -13.598 3.363 -9.559 1.00 0.00 C ATOM 68 C VAL A 8 -12.237 3.287 -8.875 1.00 0.00 C ATOM 69 O VAL A 8 -12.151 3.098 -7.662 1.00 0.00 O ATOM 70 CB VAL A 8 -14.351 4.603 -9.042 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.515 5.858 -9.242 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.698 4.735 -9.736 1.00 0.00 C ATOM 0 H VAL A 8 -14.761 2.060 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.456 3.456 -10.636 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.528 4.480 -7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.064 6.724 -8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.577 5.761 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.305 5.990 -10.303 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.217 5.616 -9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.545 4.836 -10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.299 3.847 -9.537 1.00 0.00 H new ATOM 82 N GLN A 9 -11.176 3.437 -9.662 1.00 0.00 N ATOM 83 CA GLN A 9 -9.819 3.385 -9.131 1.00 0.00 C ATOM 84 C GLN A 9 -9.039 4.640 -9.509 1.00 0.00 C ATOM 85 O GLN A 9 -9.443 5.389 -10.399 1.00 0.00 O ATOM 86 CB GLN A 9 -9.093 2.143 -9.650 1.00 0.00 C ATOM 87 CG GLN A 9 -8.769 2.204 -11.134 1.00 0.00 C ATOM 88 CD GLN A 9 -8.184 0.906 -11.657 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.097 0.891 -12.234 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.904 -0.191 -11.457 1.00 0.00 N ATOM 0 H GLN A 9 -11.230 3.595 -10.668 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.882 3.332 -8.044 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.167 2.013 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.709 1.265 -9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.676 2.440 -11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.064 3.015 -11.315 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.800 -0.132 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.561 -1.093 -11.787 1.00 0.00 H new ATOM 99 N ARG A 10 -7.920 4.863 -8.828 1.00 0.00 N ATOM 100 CA ARG A 10 -7.084 6.028 -9.091 1.00 0.00 C ATOM 101 C ARG A 10 -5.612 5.634 -9.168 1.00 0.00 C ATOM 102 O ARG A 10 -5.095 4.951 -8.284 1.00 0.00 O ATOM 103 CB ARG A 10 -7.285 7.083 -8.002 1.00 0.00 C ATOM 104 CG ARG A 10 -6.868 6.616 -6.617 1.00 0.00 C ATOM 105 CD ARG A 10 -6.958 7.741 -5.598 1.00 0.00 C ATOM 106 NE ARG A 10 -8.337 8.008 -5.198 1.00 0.00 N ATOM 107 CZ ARG A 10 -8.669 8.816 -4.198 1.00 0.00 C ATOM 108 NH1 ARG A 10 -7.726 9.434 -3.500 1.00 0.00 N ATOM 109 NH2 ARG A 10 -9.946 9.009 -3.894 1.00 0.00 N ATOM 0 H ARG A 10 -7.571 4.252 -8.090 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.381 6.448 -10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.715 7.975 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.336 7.372 -7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.505 5.789 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.847 6.237 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.369 7.481 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.521 8.647 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.086 7.548 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.743 9.289 -3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.984 10.054 -2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.675 8.536 -4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.199 9.630 -3.125 1.00 0.00 H new ATOM 123 N CYS A 11 -4.943 6.070 -10.230 1.00 0.00 N ATOM 124 CA CYS A 11 -3.531 5.762 -10.423 1.00 0.00 C ATOM 125 C CYS A 11 -2.649 6.788 -9.718 1.00 0.00 C ATOM 126 O CYS A 11 -2.576 7.946 -10.128 1.00 0.00 O ATOM 127 CB CYS A 11 -3.195 5.724 -11.915 1.00 0.00 C ATOM 128 SG CYS A 11 -1.851 4.591 -12.340 1.00 0.00 S ATOM 0 H CYS A 11 -5.356 6.638 -10.970 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.336 4.782 -9.988 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.088 5.436 -12.470 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.926 6.729 -12.242 1.00 0.00 H new ATOM 0 HG CYS A 11 -1.642 4.627 -13.623 1.00 0.00 H new ATOM 134 N VAL A 12 -1.983 6.354 -8.652 1.00 0.00 N ATOM 135 CA VAL A 12 -1.106 7.234 -7.889 1.00 0.00 C ATOM 136 C VAL A 12 0.359 6.870 -8.100 1.00 0.00 C ATOM 137 O VAL A 12 0.717 5.692 -8.134 1.00 0.00 O ATOM 138 CB VAL A 12 -1.426 7.176 -6.383 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.127 5.792 -5.827 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.644 8.242 -5.631 1.00 0.00 C ATOM 0 H VAL A 12 -2.034 5.399 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.281 8.247 -8.252 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.489 7.374 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.359 5.770 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.736 5.052 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.072 5.561 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.882 8.187 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.424 8.077 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.913 9.227 -6.012 1.00 0.00 H new ATOM 150 N ILE A 13 1.201 7.887 -8.242 1.00 0.00 N ATOM 151 CA ILE A 13 2.628 7.674 -8.449 1.00 0.00 C ATOM 152 C ILE A 13 3.452 8.392 -7.385 1.00 0.00 C ATOM 153 O ILE A 13 3.408 9.618 -7.275 1.00 0.00 O ATOM 154 CB ILE A 13 3.074 8.158 -9.841 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.321 7.398 -10.935 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.577 7.983 -10.006 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.778 7.743 -12.335 1.00 0.00 C ATOM 0 H ILE A 13 0.920 8.867 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 13 2.800 6.600 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 13 2.838 9.218 -9.933 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.446 6.327 -10.774 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.256 7.611 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.877 8.329 -10.995 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.097 8.564 -9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.835 6.930 -9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.201 7.167 -13.058 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.627 8.807 -12.515 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.836 7.504 -12.442 1.00 0.00 H new ATOM 169 N ILE A 14 4.203 7.622 -6.605 1.00 0.00 N ATOM 170 CA ILE A 14 5.038 8.186 -5.553 1.00 0.00 C ATOM 171 C ILE A 14 6.509 8.180 -5.956 1.00 0.00 C ATOM 172 O ILE A 14 7.032 7.165 -6.415 1.00 0.00 O ATOM 173 CB ILE A 14 4.877 7.412 -4.231 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.399 7.315 -3.848 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.674 8.085 -3.123 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.069 6.099 -3.011 1.00 0.00 C ATOM 0 H ILE A 14 4.250 6.606 -6.682 1.00 0.00 H new ATOM 0 HA ILE A 14 4.708 9.214 -5.406 1.00 0.00 H new ATOM 0 HB ILE A 14 5.264 6.402 -4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.115 8.212 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.797 7.294 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.550 7.527 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.729 8.107 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.314 9.104 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.004 6.096 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.321 5.196 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.644 6.128 -2.085 1.00 0.00 H new ATOM 188 N GLN A 15 7.170 9.320 -5.779 1.00 0.00 N ATOM 189 CA GLN A 15 8.581 9.445 -6.124 1.00 0.00 C ATOM 190 C GLN A 15 9.454 9.382 -4.875 1.00 0.00 C ATOM 191 O GLN A 15 9.282 10.168 -3.944 1.00 0.00 O ATOM 192 CB GLN A 15 8.831 10.757 -6.870 1.00 0.00 C ATOM 193 CG GLN A 15 9.096 11.938 -5.950 1.00 0.00 C ATOM 194 CD GLN A 15 8.966 13.271 -6.660 1.00 0.00 C ATOM 195 OE1 GLN A 15 9.509 13.463 -7.749 1.00 0.00 O ATOM 196 NE2 GLN A 15 8.243 14.201 -6.047 1.00 0.00 N ATOM 0 H GLN A 15 6.751 10.169 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 15 8.846 8.610 -6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.683 10.629 -7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.966 10.981 -7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.397 11.906 -5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.099 11.850 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.811 13.999 -5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.120 15.117 -6.478 1.00 0.00 H new ATOM 205 N LYS A 16 10.392 8.440 -4.862 1.00 0.00 N ATOM 206 CA LYS A 16 11.293 8.274 -3.728 1.00 0.00 C ATOM 207 C LYS A 16 12.008 9.582 -3.404 1.00 0.00 C ATOM 208 O LYS A 16 12.008 10.515 -4.208 1.00 0.00 O ATOM 209 CB LYS A 16 12.320 7.179 -4.023 1.00 0.00 C ATOM 210 CG LYS A 16 13.144 7.438 -5.273 1.00 0.00 C ATOM 211 CD LYS A 16 14.481 6.719 -5.219 1.00 0.00 C ATOM 212 CE LYS A 16 14.351 5.267 -5.653 1.00 0.00 C ATOM 213 NZ LYS A 16 14.456 5.118 -7.131 1.00 0.00 N ATOM 0 H LYS A 16 10.548 7.780 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 16 10.698 7.982 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.991 7.082 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.802 6.226 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.588 7.109 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.310 8.509 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.196 7.230 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.878 6.763 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.128 4.673 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.393 4.871 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.602 4.649 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.548 6.057 -7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.292 4.544 -7.364 1.00 0.00 H new ATOM 227 N ASP A 17 12.616 9.642 -2.225 1.00 0.00 N ATOM 228 CA ASP A 17 13.337 10.836 -1.797 1.00 0.00 C ATOM 229 C ASP A 17 14.768 10.491 -1.394 1.00 0.00 C ATOM 230 O ASP A 17 15.200 9.346 -1.526 1.00 0.00 O ATOM 231 CB ASP A 17 12.612 11.504 -0.628 1.00 0.00 C ATOM 232 CG ASP A 17 12.321 10.536 0.502 1.00 0.00 C ATOM 233 OD1 ASP A 17 11.312 9.804 0.412 1.00 0.00 O ATOM 234 OD2 ASP A 17 13.101 10.509 1.476 1.00 0.00 O ATOM 0 H ASP A 17 12.624 8.879 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 17 13.372 11.530 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.219 12.327 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.676 11.935 -0.983 1.00 0.00 H new ATOM 239 N GLN A 18 15.495 11.489 -0.903 1.00 0.00 N ATOM 240 CA GLN A 18 16.878 11.290 -0.483 1.00 0.00 C ATOM 241 C GLN A 18 16.997 10.087 0.447 1.00 0.00 C ATOM 242 O GLN A 18 18.077 9.519 0.609 1.00 0.00 O ATOM 243 CB GLN A 18 17.405 12.545 0.216 1.00 0.00 C ATOM 244 CG GLN A 18 18.874 12.456 0.598 1.00 0.00 C ATOM 245 CD GLN A 18 19.773 12.199 -0.595 1.00 0.00 C ATOM 246 OE1 GLN A 18 20.259 11.085 -0.791 1.00 0.00 O ATOM 247 NE2 GLN A 18 19.998 13.230 -1.400 1.00 0.00 N ATOM 0 H GLN A 18 15.151 12.442 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 18 17.478 11.098 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.260 13.404 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.815 12.726 1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 18 19.176 13.384 1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.008 11.657 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.574 14.136 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.595 13.116 -2.220 1.00 0.00 H new ATOM 256 N HIS A 19 15.879 9.704 1.057 1.00 0.00 N ATOM 257 CA HIS A 19 15.859 8.568 1.971 1.00 0.00 C ATOM 258 C HIS A 19 15.090 7.397 1.366 1.00 0.00 C ATOM 259 O HIS A 19 15.439 6.237 1.578 1.00 0.00 O ATOM 260 CB HIS A 19 15.229 8.971 3.305 1.00 0.00 C ATOM 261 CG HIS A 19 16.083 9.898 4.114 1.00 0.00 C ATOM 262 ND1 HIS A 19 15.568 10.775 5.046 1.00 0.00 N ATOM 263 CD2 HIS A 19 17.424 10.081 4.129 1.00 0.00 C ATOM 264 CE1 HIS A 19 16.555 11.458 5.597 1.00 0.00 C ATOM 265 NE2 HIS A 19 17.692 11.055 5.058 1.00 0.00 N ATOM 0 H HIS A 19 14.977 10.163 0.935 1.00 0.00 H new ATOM 0 HA HIS A 19 16.888 8.254 2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.268 9.449 3.114 1.00 0.00 H new ATOM 0 HB3 HIS A 19 15.028 8.073 3.889 1.00 0.00 H new ATOM 0 HD2 HIS A 19 18.148 9.558 3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 19 16.451 12.217 6.358 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.619 11.410 5.294 1.00 0.00 H new ATOM 274 N GLY A 20 14.041 7.711 0.611 1.00 0.00 N ATOM 275 CA GLY A 20 13.239 6.675 -0.012 1.00 0.00 C ATOM 276 C GLY A 20 11.809 6.667 0.490 1.00 0.00 C ATOM 277 O GLY A 20 11.482 7.346 1.464 1.00 0.00 O ATOM 0 H GLY A 20 13.733 8.664 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.241 6.819 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.694 5.703 0.180 1.00 0.00 H new ATOM 281 N PHE A 21 10.953 5.899 -0.177 1.00 0.00 N ATOM 282 CA PHE A 21 9.549 5.808 0.206 1.00 0.00 C ATOM 283 C PHE A 21 9.407 5.638 1.715 1.00 0.00 C ATOM 284 O PHE A 21 10.371 5.316 2.409 1.00 0.00 O ATOM 285 CB PHE A 21 8.876 4.639 -0.516 1.00 0.00 C ATOM 286 CG PHE A 21 9.251 4.535 -1.967 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.729 5.421 -2.896 1.00 0.00 C ATOM 288 CD2 PHE A 21 10.126 3.553 -2.402 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.072 5.327 -4.232 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.473 3.454 -3.736 1.00 0.00 C ATOM 291 CZ PHE A 21 9.946 4.343 -4.652 1.00 0.00 C ATOM 0 H PHE A 21 11.207 5.331 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 21 9.058 6.737 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.142 3.710 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.794 4.747 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.047 6.193 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.542 2.856 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.657 6.022 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.155 2.683 -4.062 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.217 4.269 -5.695 1.00 0.00 H new ATOM 301 N GLY A 22 8.196 5.858 2.218 1.00 0.00 N ATOM 302 CA GLY A 22 7.948 5.725 3.642 1.00 0.00 C ATOM 303 C GLY A 22 6.599 5.102 3.940 1.00 0.00 C ATOM 304 O GLY A 22 5.821 5.638 4.730 1.00 0.00 O ATOM 0 H GLY A 22 7.382 6.126 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.733 5.115 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.002 6.708 4.110 1.00 0.00 H new ATOM 308 N PHE A 23 6.319 3.968 3.307 1.00 0.00 N ATOM 309 CA PHE A 23 5.053 3.273 3.506 1.00 0.00 C ATOM 310 C PHE A 23 5.278 1.775 3.686 1.00 0.00 C ATOM 311 O PHE A 23 6.110 1.173 3.006 1.00 0.00 O ATOM 312 CB PHE A 23 4.118 3.521 2.321 1.00 0.00 C ATOM 313 CG PHE A 23 4.464 2.711 1.104 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.518 3.082 0.285 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.736 1.578 0.780 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.838 2.338 -0.835 1.00 0.00 C ATOM 317 CE2 PHE A 23 4.051 0.830 -0.338 1.00 0.00 C ATOM 318 CZ PHE A 23 5.105 1.210 -1.146 1.00 0.00 C ATOM 0 H PHE A 23 6.952 3.510 2.651 1.00 0.00 H new ATOM 0 HA PHE A 23 4.591 3.665 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.095 3.292 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.145 4.580 2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.096 3.962 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.912 1.276 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.661 2.639 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.474 -0.050 -0.580 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.355 0.626 -2.019 1.00 0.00 H new ATOM 328 N THR A 24 4.529 1.176 4.608 1.00 0.00 N ATOM 329 CA THR A 24 4.647 -0.251 4.879 1.00 0.00 C ATOM 330 C THR A 24 3.333 -0.973 4.604 1.00 0.00 C ATOM 331 O THR A 24 2.273 -0.350 4.536 1.00 0.00 O ATOM 332 CB THR A 24 5.067 -0.512 6.338 1.00 0.00 C ATOM 333 OG1 THR A 24 4.057 -0.033 7.232 1.00 0.00 O ATOM 334 CG2 THR A 24 6.391 0.168 6.650 1.00 0.00 C ATOM 0 H THR A 24 3.835 1.658 5.179 1.00 0.00 H new ATOM 0 HA THR A 24 5.417 -0.637 4.212 1.00 0.00 H new ATOM 0 HB THR A 24 5.189 -1.587 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.331 -0.204 8.157 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.667 -0.031 7.686 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.165 -0.221 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.292 1.243 6.501 1.00 0.00 H new ATOM 342 N VAL A 25 3.409 -2.290 4.445 1.00 0.00 N ATOM 343 CA VAL A 25 2.225 -3.098 4.179 1.00 0.00 C ATOM 344 C VAL A 25 2.323 -4.459 4.860 1.00 0.00 C ATOM 345 O VAL A 25 3.405 -4.889 5.258 1.00 0.00 O ATOM 346 CB VAL A 25 2.017 -3.307 2.667 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.685 -1.988 1.986 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.250 -3.944 2.043 1.00 0.00 C ATOM 0 H VAL A 25 4.279 -2.821 4.496 1.00 0.00 H new ATOM 0 HA VAL A 25 1.372 -2.553 4.584 1.00 0.00 H new ATOM 0 HB VAL A 25 1.175 -3.984 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.542 -2.156 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.771 -1.577 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.504 -1.285 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.086 -4.084 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.112 -3.294 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.437 -4.910 2.511 1.00 0.00 H new ATOM 358 N SER A 26 1.184 -5.132 4.991 1.00 0.00 N ATOM 359 CA SER A 26 1.140 -6.443 5.628 1.00 0.00 C ATOM 360 C SER A 26 1.396 -7.550 4.610 1.00 0.00 C ATOM 361 O SER A 26 1.538 -8.718 4.969 1.00 0.00 O ATOM 362 CB SER A 26 -0.215 -6.660 6.304 1.00 0.00 C ATOM 363 OG SER A 26 -0.171 -7.764 7.191 1.00 0.00 O ATOM 0 H SER A 26 0.280 -4.791 4.665 1.00 0.00 H new ATOM 0 HA SER A 26 1.925 -6.479 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.500 -5.761 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.980 -6.828 5.546 1.00 0.00 H new ATOM 0 HG SER A 26 -0.732 -8.487 6.841 1.00 0.00 H new ATOM 369 N GLY A 27 1.455 -7.172 3.336 1.00 0.00 N ATOM 370 CA GLY A 27 1.693 -8.144 2.285 1.00 0.00 C ATOM 371 C GLY A 27 0.865 -9.401 2.458 1.00 0.00 C ATOM 372 O GLY A 27 1.198 -10.452 1.910 1.00 0.00 O ATOM 0 H GLY A 27 1.342 -6.211 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.465 -7.693 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.750 -8.408 2.272 1.00 0.00 H new ATOM 376 N ASP A 28 -0.215 -9.295 3.224 1.00 0.00 N ATOM 377 CA ASP A 28 -1.093 -10.433 3.469 1.00 0.00 C ATOM 378 C ASP A 28 -2.109 -10.588 2.342 1.00 0.00 C ATOM 379 O ASP A 28 -2.060 -9.868 1.345 1.00 0.00 O ATOM 380 CB ASP A 28 -1.817 -10.268 4.806 1.00 0.00 C ATOM 381 CG ASP A 28 -1.044 -10.872 5.962 1.00 0.00 C ATOM 382 OD1 ASP A 28 -0.303 -11.851 5.733 1.00 0.00 O ATOM 383 OD2 ASP A 28 -1.180 -10.366 7.095 1.00 0.00 O ATOM 0 H ASP A 28 -0.504 -8.433 3.686 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.479 -11.333 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.982 -9.208 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.799 -10.738 4.745 1.00 0.00 H new ATOM 388 N ARG A 29 -3.029 -11.533 2.507 1.00 0.00 N ATOM 389 CA ARG A 29 -4.056 -11.784 1.503 1.00 0.00 C ATOM 390 C ARG A 29 -4.477 -10.486 0.820 1.00 0.00 C ATOM 391 O ARG A 29 -4.568 -10.420 -0.406 1.00 0.00 O ATOM 392 CB ARG A 29 -5.273 -12.455 2.143 1.00 0.00 C ATOM 393 CG ARG A 29 -6.115 -13.252 1.161 1.00 0.00 C ATOM 394 CD ARG A 29 -7.166 -14.086 1.878 1.00 0.00 C ATOM 395 NE ARG A 29 -6.658 -15.405 2.248 1.00 0.00 N ATOM 396 CZ ARG A 29 -6.308 -16.333 1.365 1.00 0.00 C ATOM 397 NH1 ARG A 29 -6.410 -16.087 0.066 1.00 0.00 N ATOM 398 NH2 ARG A 29 -5.855 -17.509 1.780 1.00 0.00 N ATOM 0 H ARG A 29 -3.084 -12.138 3.327 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.637 -12.451 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.935 -13.117 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.897 -11.691 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.603 -12.572 0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.470 -13.905 0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.497 -13.560 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.039 -14.201 1.235 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.567 -15.625 3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.758 -15.184 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.141 -16.801 -0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.775 -17.701 2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.587 -18.221 1.101 1.00 0.00 H new ATOM 412 N ILE A 30 -4.734 -9.458 1.622 1.00 0.00 N ATOM 413 CA ILE A 30 -5.145 -8.163 1.095 1.00 0.00 C ATOM 414 C ILE A 30 -4.132 -7.079 1.448 1.00 0.00 C ATOM 415 O ILE A 30 -4.266 -6.396 2.463 1.00 0.00 O ATOM 416 CB ILE A 30 -6.529 -7.751 1.631 1.00 0.00 C ATOM 417 CG1 ILE A 30 -7.577 -8.803 1.262 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.924 -6.387 1.083 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.556 -9.191 -0.200 1.00 0.00 C ATOM 0 H ILE A 30 -4.665 -9.497 2.639 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.200 -8.266 0.011 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.476 -7.684 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.414 -9.694 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.567 -8.422 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.904 -6.109 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.188 -5.644 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.963 -6.430 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.325 -9.940 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.749 -8.311 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.579 -9.602 -0.453 1.00 0.00 H new ATOM 431 N VAL A 31 -3.118 -6.926 0.602 1.00 0.00 N ATOM 432 CA VAL A 31 -2.083 -5.923 0.822 1.00 0.00 C ATOM 433 C VAL A 31 -2.695 -4.559 1.120 1.00 0.00 C ATOM 434 O VAL A 31 -3.235 -3.900 0.230 1.00 0.00 O ATOM 435 CB VAL A 31 -1.152 -5.800 -0.399 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.039 -4.912 -0.074 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.693 -7.176 -0.858 1.00 0.00 C ATOM 0 H VAL A 31 -2.991 -7.484 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.500 -6.253 1.682 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.708 -5.337 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.686 -4.837 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.313 -3.919 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.599 -5.344 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.036 -7.071 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.153 -7.668 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.561 -7.776 -1.133 1.00 0.00 H new ATOM 447 N LEU A 32 -2.607 -4.139 2.377 1.00 0.00 N ATOM 448 CA LEU A 32 -3.151 -2.852 2.794 1.00 0.00 C ATOM 449 C LEU A 32 -2.111 -2.044 3.564 1.00 0.00 C ATOM 450 O LEU A 32 -1.403 -2.578 4.418 1.00 0.00 O ATOM 451 CB LEU A 32 -4.395 -3.058 3.660 1.00 0.00 C ATOM 452 CG LEU A 32 -5.598 -3.697 2.964 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.489 -4.399 3.977 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.387 -2.649 2.193 1.00 0.00 C ATOM 0 H LEU A 32 -2.164 -4.672 3.126 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.427 -2.295 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.121 -3.680 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.702 -2.090 4.057 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.232 -4.440 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.340 -4.848 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.919 -5.177 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.847 -3.676 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.239 -3.122 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.743 -1.882 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.745 -2.191 1.440 1.00 0.00 H new ATOM 466 N VAL A 33 -2.025 -0.754 3.256 1.00 0.00 N ATOM 467 CA VAL A 33 -1.073 0.129 3.921 1.00 0.00 C ATOM 468 C VAL A 33 -1.300 0.146 5.429 1.00 0.00 C ATOM 469 O VAL A 33 -2.354 0.570 5.902 1.00 0.00 O ATOM 470 CB VAL A 33 -1.172 1.568 3.382 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.229 2.489 4.142 1.00 0.00 C ATOM 472 CG2 VAL A 33 -0.873 1.600 1.891 1.00 0.00 C ATOM 0 H VAL A 33 -2.603 -0.297 2.551 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.078 -0.262 3.711 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.191 1.925 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.313 3.502 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.494 2.489 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.796 2.137 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.948 2.625 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.135 1.224 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.592 0.974 1.362 1.00 0.00 H new ATOM 482 N GLN A 34 -0.305 -0.317 6.177 1.00 0.00 N ATOM 483 CA GLN A 34 -0.396 -0.355 7.632 1.00 0.00 C ATOM 484 C GLN A 34 -0.110 1.018 8.231 1.00 0.00 C ATOM 485 O GLN A 34 -0.805 1.465 9.143 1.00 0.00 O ATOM 486 CB GLN A 34 0.581 -1.386 8.199 1.00 0.00 C ATOM 487 CG GLN A 34 0.260 -1.810 9.623 1.00 0.00 C ATOM 488 CD GLN A 34 -1.199 -2.179 9.806 1.00 0.00 C ATOM 489 OE1 GLN A 34 -2.065 -1.309 9.903 1.00 0.00 O ATOM 490 NE2 GLN A 34 -1.480 -3.476 9.855 1.00 0.00 N ATOM 0 H GLN A 34 0.574 -0.671 5.800 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.412 -0.643 7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.579 -2.267 7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.589 -0.973 8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.883 -2.662 9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.514 -0.999 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.731 -4.164 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.444 -3.785 9.977 1.00 0.00 H new ATOM 499 N SER A 35 0.918 1.682 7.712 1.00 0.00 N ATOM 500 CA SER A 35 1.299 3.003 8.199 1.00 0.00 C ATOM 501 C SER A 35 1.890 3.847 7.074 1.00 0.00 C ATOM 502 O SER A 35 2.366 3.318 6.070 1.00 0.00 O ATOM 503 CB SER A 35 2.307 2.877 9.342 1.00 0.00 C ATOM 504 OG SER A 35 1.791 2.077 10.392 1.00 0.00 O ATOM 0 H SER A 35 1.502 1.327 6.955 1.00 0.00 H new ATOM 0 HA SER A 35 0.402 3.500 8.569 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.232 2.439 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.555 3.868 9.723 1.00 0.00 H new ATOM 0 HG SER A 35 2.455 2.011 11.110 1.00 0.00 H new ATOM 510 N VAL A 36 1.858 5.164 7.251 1.00 0.00 N ATOM 511 CA VAL A 36 2.391 6.083 6.252 1.00 0.00 C ATOM 512 C VAL A 36 3.236 7.172 6.904 1.00 0.00 C ATOM 513 O VAL A 36 2.722 8.015 7.639 1.00 0.00 O ATOM 514 CB VAL A 36 1.263 6.742 5.437 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.840 7.689 4.396 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.391 5.683 4.781 1.00 0.00 C ATOM 0 H VAL A 36 1.469 5.619 8.077 1.00 0.00 H new ATOM 0 HA VAL A 36 3.017 5.494 5.581 1.00 0.00 H new ATOM 0 HB VAL A 36 0.639 7.323 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.028 8.145 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.418 8.468 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.488 7.133 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.401 6.167 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.000 5.073 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.052 5.049 5.549 1.00 0.00 H new ATOM 526 N ARG A 37 4.536 7.149 6.628 1.00 0.00 N ATOM 527 CA ARG A 37 5.453 8.134 7.188 1.00 0.00 C ATOM 528 C ARG A 37 4.804 9.514 7.239 1.00 0.00 C ATOM 529 O ARG A 37 4.173 9.966 6.284 1.00 0.00 O ATOM 530 CB ARG A 37 6.738 8.194 6.360 1.00 0.00 C ATOM 531 CG ARG A 37 7.916 8.800 7.106 1.00 0.00 C ATOM 532 CD ARG A 37 8.423 7.870 8.197 1.00 0.00 C ATOM 533 NE ARG A 37 9.407 6.918 7.690 1.00 0.00 N ATOM 534 CZ ARG A 37 10.651 7.249 7.364 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.062 8.504 7.492 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.488 6.326 6.909 1.00 0.00 N ATOM 0 H ARG A 37 4.978 6.459 6.020 1.00 0.00 H new ATOM 0 HA ARG A 37 5.698 7.828 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.001 7.186 6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.552 8.776 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.722 9.012 6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.618 9.751 7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.868 8.460 8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.583 7.327 8.630 1.00 0.00 H new ATOM 0 HE ARG A 37 9.123 5.944 7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.422 9.217 7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.018 8.756 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.176 5.360 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.443 6.582 6.659 1.00 0.00 H new ATOM 550 N PRO A 38 4.961 10.199 8.381 1.00 0.00 N ATOM 551 CA PRO A 38 4.397 11.537 8.585 1.00 0.00 C ATOM 552 C PRO A 38 5.096 12.596 7.739 1.00 0.00 C ATOM 553 O PRO A 38 6.171 13.078 8.094 1.00 0.00 O ATOM 554 CB PRO A 38 4.636 11.800 10.074 1.00 0.00 C ATOM 555 CG PRO A 38 5.806 10.948 10.426 1.00 0.00 C ATOM 556 CD PRO A 38 5.700 9.722 9.562 1.00 0.00 C ATOM 0 HA PRO A 38 3.348 11.586 8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.843 12.854 10.262 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.761 11.536 10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.742 11.475 10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.792 10.683 11.483 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.682 9.335 9.292 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.169 8.917 10.070 1.00 0.00 H new ATOM 564 N GLY A 39 4.479 12.953 6.617 1.00 0.00 N ATOM 565 CA GLY A 39 5.057 13.953 5.738 1.00 0.00 C ATOM 566 C GLY A 39 6.268 13.434 4.987 1.00 0.00 C ATOM 567 O GLY A 39 7.213 14.178 4.732 1.00 0.00 O ATOM 0 H GLY A 39 3.589 12.568 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.304 14.283 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.344 14.826 6.324 1.00 0.00 H new ATOM 571 N GLY A 40 6.240 12.152 4.635 1.00 0.00 N ATOM 572 CA GLY A 40 7.350 11.557 3.915 1.00 0.00 C ATOM 573 C GLY A 40 7.173 11.633 2.411 1.00 0.00 C ATOM 574 O GLY A 40 7.293 12.705 1.819 1.00 0.00 O ATOM 0 H GLY A 40 5.469 11.516 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.274 12.063 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.455 10.514 4.213 1.00 0.00 H new ATOM 578 N ALA A 41 6.890 10.491 1.792 1.00 0.00 N ATOM 579 CA ALA A 41 6.697 10.433 0.349 1.00 0.00 C ATOM 580 C ALA A 41 5.308 9.905 0.002 1.00 0.00 C ATOM 581 O ALA A 41 4.570 10.528 -0.761 1.00 0.00 O ATOM 582 CB ALA A 41 7.769 9.565 -0.293 1.00 0.00 C ATOM 0 H ALA A 41 6.789 9.594 2.268 1.00 0.00 H new ATOM 0 HA ALA A 41 6.782 11.446 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.612 9.531 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.752 9.986 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.712 8.555 0.114 1.00 0.00 H new ATOM 588 N ALA A 42 4.961 8.753 0.566 1.00 0.00 N ATOM 589 CA ALA A 42 3.661 8.143 0.317 1.00 0.00 C ATOM 590 C ALA A 42 2.531 9.135 0.570 1.00 0.00 C ATOM 591 O ALA A 42 1.591 9.235 -0.219 1.00 0.00 O ATOM 592 CB ALA A 42 3.483 6.906 1.185 1.00 0.00 C ATOM 0 H ALA A 42 5.562 8.224 1.198 1.00 0.00 H new ATOM 0 HA ALA A 42 3.622 7.847 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.508 6.461 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.265 6.183 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.548 7.187 2.236 1.00 0.00 H new ATOM 598 N MET A 43 2.628 9.866 1.675 1.00 0.00 N ATOM 599 CA MET A 43 1.613 10.852 2.031 1.00 0.00 C ATOM 600 C MET A 43 1.531 11.952 0.978 1.00 0.00 C ATOM 601 O MET A 43 0.453 12.263 0.472 1.00 0.00 O ATOM 602 CB MET A 43 1.921 11.461 3.400 1.00 0.00 C ATOM 603 CG MET A 43 0.710 12.083 4.075 1.00 0.00 C ATOM 604 SD MET A 43 0.985 12.419 5.825 1.00 0.00 S ATOM 605 CE MET A 43 0.452 10.872 6.554 1.00 0.00 C ATOM 0 H MET A 43 3.398 9.795 2.340 1.00 0.00 H new ATOM 0 HA MET A 43 0.649 10.345 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.331 10.687 4.049 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.693 12.222 3.285 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.453 13.012 3.567 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.144 11.414 3.967 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.562 10.923 7.637 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.594 10.693 6.304 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.063 10.057 6.165 1.00 0.00 H new ATOM 615 N LYS A 44 2.678 12.540 0.652 1.00 0.00 N ATOM 616 CA LYS A 44 2.737 13.606 -0.341 1.00 0.00 C ATOM 617 C LYS A 44 1.890 13.259 -1.561 1.00 0.00 C ATOM 618 O LYS A 44 1.087 14.070 -2.022 1.00 0.00 O ATOM 619 CB LYS A 44 4.186 13.855 -0.766 1.00 0.00 C ATOM 620 CG LYS A 44 5.000 14.617 0.265 1.00 0.00 C ATOM 621 CD LYS A 44 6.144 15.380 -0.380 1.00 0.00 C ATOM 622 CE LYS A 44 7.164 14.436 -0.999 1.00 0.00 C ATOM 623 NZ LYS A 44 8.395 15.154 -1.430 1.00 0.00 N ATOM 0 H LYS A 44 3.580 12.296 1.062 1.00 0.00 H new ATOM 0 HA LYS A 44 2.337 14.513 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.668 12.897 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.190 14.411 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.353 15.313 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.397 13.920 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.751 16.047 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.632 16.006 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.428 13.663 -0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.719 13.932 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.065 14.476 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.147 15.874 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.835 15.614 -0.607 1.00 0.00 H new ATOM 637 N ALA A 45 2.075 12.050 -2.080 1.00 0.00 N ATOM 638 CA ALA A 45 1.325 11.595 -3.245 1.00 0.00 C ATOM 639 C ALA A 45 -0.172 11.561 -2.955 1.00 0.00 C ATOM 640 O ALA A 45 -0.991 11.778 -3.847 1.00 0.00 O ATOM 641 CB ALA A 45 1.811 10.222 -3.682 1.00 0.00 C ATOM 0 H ALA A 45 2.738 11.367 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 45 1.496 12.303 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.242 9.895 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.869 10.275 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.670 9.510 -2.868 1.00 0.00 H new ATOM 647 N GLY A 46 -0.522 11.287 -1.702 1.00 0.00 N ATOM 648 CA GLY A 46 -1.920 11.229 -1.318 1.00 0.00 C ATOM 649 C GLY A 46 -2.345 9.839 -0.886 1.00 0.00 C ATOM 650 O GLY A 46 -3.438 9.383 -1.224 1.00 0.00 O ATOM 0 H GLY A 46 0.138 11.104 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.099 11.930 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.538 11.550 -2.157 1.00 0.00 H new ATOM 654 N VAL A 47 -1.480 9.163 -0.138 1.00 0.00 N ATOM 655 CA VAL A 47 -1.771 7.817 0.340 1.00 0.00 C ATOM 656 C VAL A 47 -2.034 7.812 1.842 1.00 0.00 C ATOM 657 O VAL A 47 -1.259 8.366 2.621 1.00 0.00 O ATOM 658 CB VAL A 47 -0.614 6.848 0.029 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.910 5.465 0.590 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.363 6.782 -1.470 1.00 0.00 C ATOM 0 H VAL A 47 -0.571 9.525 0.150 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.666 7.482 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 47 0.290 7.223 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.082 4.794 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.036 5.530 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.825 5.078 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.457 6.093 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.263 6.432 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.103 7.774 -1.839 1.00 0.00 H new ATOM 670 N LYS A 48 -3.133 7.181 2.242 1.00 0.00 N ATOM 671 CA LYS A 48 -3.499 7.102 3.651 1.00 0.00 C ATOM 672 C LYS A 48 -3.291 5.689 4.188 1.00 0.00 C ATOM 673 O LYS A 48 -2.796 4.813 3.480 1.00 0.00 O ATOM 674 CB LYS A 48 -4.958 7.522 3.845 1.00 0.00 C ATOM 675 CG LYS A 48 -5.309 8.832 3.161 1.00 0.00 C ATOM 676 CD LYS A 48 -5.664 8.621 1.699 1.00 0.00 C ATOM 677 CE LYS A 48 -6.281 9.870 1.089 1.00 0.00 C ATOM 678 NZ LYS A 48 -6.470 9.735 -0.382 1.00 0.00 N ATOM 0 H LYS A 48 -3.786 6.717 1.610 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.854 7.783 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.608 6.736 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.163 7.612 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.148 9.299 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.467 9.520 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.768 8.347 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.362 7.788 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.243 10.068 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.642 10.729 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.924 10.594 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.545 9.606 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.073 8.911 -0.580 1.00 0.00 H new ATOM 692 N GLU A 49 -3.672 5.476 5.444 1.00 0.00 N ATOM 693 CA GLU A 49 -3.526 4.170 6.075 1.00 0.00 C ATOM 694 C GLU A 49 -4.821 3.368 5.971 1.00 0.00 C ATOM 695 O GLU A 49 -5.790 3.639 6.678 1.00 0.00 O ATOM 696 CB GLU A 49 -3.129 4.329 7.543 1.00 0.00 C ATOM 697 CG GLU A 49 -1.899 5.197 7.751 1.00 0.00 C ATOM 698 CD GLU A 49 -1.896 5.891 9.099 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.802 6.715 9.343 1.00 0.00 O ATOM 700 OE2 GLU A 49 -0.987 5.612 9.908 1.00 0.00 O ATOM 0 H GLU A 49 -4.084 6.191 6.044 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.739 3.628 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.965 4.762 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.944 3.343 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.005 4.580 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.850 5.946 6.961 1.00 0.00 H new ATOM 707 N GLY A 50 -4.828 2.379 5.082 1.00 0.00 N ATOM 708 CA GLY A 50 -6.008 1.554 4.900 1.00 0.00 C ATOM 709 C GLY A 50 -6.428 1.455 3.447 1.00 0.00 C ATOM 710 O GLY A 50 -7.608 1.275 3.146 1.00 0.00 O ATOM 0 H GLY A 50 -4.038 2.135 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.812 0.554 5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.830 1.967 5.485 1.00 0.00 H new ATOM 714 N ASP A 51 -5.461 1.574 2.544 1.00 0.00 N ATOM 715 CA ASP A 51 -5.737 1.498 1.114 1.00 0.00 C ATOM 716 C ASP A 51 -5.339 0.135 0.556 1.00 0.00 C ATOM 717 O ASP A 51 -4.467 -0.540 1.103 1.00 0.00 O ATOM 718 CB ASP A 51 -4.991 2.606 0.369 1.00 0.00 C ATOM 719 CG ASP A 51 -3.540 2.252 0.108 1.00 0.00 C ATOM 720 OD1 ASP A 51 -3.289 1.203 -0.520 1.00 0.00 O ATOM 721 OD2 ASP A 51 -2.655 3.024 0.534 1.00 0.00 O ATOM 0 H ASP A 51 -4.479 1.723 2.777 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.809 1.632 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.491 2.802 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.039 3.527 0.951 1.00 0.00 H new ATOM 726 N ARG A 52 -5.985 -0.263 -0.535 1.00 0.00 N ATOM 727 CA ARG A 52 -5.701 -1.546 -1.166 1.00 0.00 C ATOM 728 C ARG A 52 -4.999 -1.349 -2.507 1.00 0.00 C ATOM 729 O ARG A 52 -5.454 -0.574 -3.348 1.00 0.00 O ATOM 730 CB ARG A 52 -6.994 -2.338 -1.367 1.00 0.00 C ATOM 731 CG ARG A 52 -6.798 -3.845 -1.326 1.00 0.00 C ATOM 732 CD ARG A 52 -8.012 -4.580 -1.873 1.00 0.00 C ATOM 733 NE ARG A 52 -9.263 -4.014 -1.375 1.00 0.00 N ATOM 734 CZ ARG A 52 -10.436 -4.632 -1.466 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.517 -5.828 -2.031 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.531 -4.052 -0.990 1.00 0.00 N ATOM 0 H ARG A 52 -6.709 0.285 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.038 -2.107 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.709 -2.052 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.433 -2.063 -2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.916 -4.114 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.612 -4.161 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.002 -4.536 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.954 -5.633 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.235 -3.095 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.678 -6.277 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.419 -6.300 -2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.472 -3.132 -0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.431 -4.527 -1.060 1.00 0.00 H new ATOM 750 N ILE A 53 -3.890 -2.055 -2.698 1.00 0.00 N ATOM 751 CA ILE A 53 -3.127 -1.958 -3.936 1.00 0.00 C ATOM 752 C ILE A 53 -3.403 -3.150 -4.847 1.00 0.00 C ATOM 753 O ILE A 53 -3.024 -4.280 -4.538 1.00 0.00 O ATOM 754 CB ILE A 53 -1.614 -1.877 -3.660 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.296 -0.652 -2.799 1.00 0.00 C ATOM 756 CG2 ILE A 53 -0.839 -1.827 -4.968 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.063 -0.822 -1.940 1.00 0.00 C ATOM 0 H ILE A 53 -3.500 -2.700 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.447 -1.042 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.310 -2.770 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.160 0.213 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.150 -0.438 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.229 -1.770 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.046 -2.726 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.143 -0.949 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.102 0.084 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.203 -1.667 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.802 -1.006 -2.577 1.00 0.00 H new ATOM 769 N ILE A 54 -4.062 -2.888 -5.970 1.00 0.00 N ATOM 770 CA ILE A 54 -4.386 -3.939 -6.927 1.00 0.00 C ATOM 771 C ILE A 54 -3.210 -4.215 -7.859 1.00 0.00 C ATOM 772 O ILE A 54 -2.733 -5.346 -7.956 1.00 0.00 O ATOM 773 CB ILE A 54 -5.620 -3.571 -7.772 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.721 -2.994 -6.880 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.127 -4.789 -8.529 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.003 -2.688 -7.624 1.00 0.00 C ATOM 0 H ILE A 54 -4.382 -1.958 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.607 -4.836 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.331 -2.812 -8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.935 -3.701 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.356 -2.081 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.999 -4.512 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.343 -5.159 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.403 -5.569 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.739 -2.282 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.803 -1.958 -8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.392 -3.603 -8.071 1.00 0.00 H new ATOM 788 N LYS A 55 -2.746 -3.174 -8.541 1.00 0.00 N ATOM 789 CA LYS A 55 -1.624 -3.302 -9.463 1.00 0.00 C ATOM 790 C LYS A 55 -0.430 -2.482 -8.984 1.00 0.00 C ATOM 791 O LYS A 55 -0.588 -1.505 -8.252 1.00 0.00 O ATOM 792 CB LYS A 55 -2.035 -2.850 -10.866 1.00 0.00 C ATOM 793 CG LYS A 55 -1.107 -3.345 -11.961 1.00 0.00 C ATOM 794 CD LYS A 55 -1.599 -2.932 -13.338 1.00 0.00 C ATOM 795 CE LYS A 55 -1.490 -1.428 -13.541 1.00 0.00 C ATOM 796 NZ LYS A 55 -1.263 -1.076 -14.970 1.00 0.00 N ATOM 0 H LYS A 55 -3.130 -2.231 -8.473 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.333 -4.352 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.046 -3.203 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.066 -1.761 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.105 -2.948 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.031 -4.431 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.017 -3.447 -14.103 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.636 -3.243 -13.463 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.403 -0.947 -13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.671 -1.038 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.194 -0.043 -15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.379 -1.514 -15.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.057 -1.425 -15.544 1.00 0.00 H new ATOM 810 N VAL A 56 0.766 -2.886 -9.402 1.00 0.00 N ATOM 811 CA VAL A 56 1.986 -2.188 -9.017 1.00 0.00 C ATOM 812 C VAL A 56 3.021 -2.233 -10.136 1.00 0.00 C ATOM 813 O VAL A 56 3.524 -3.300 -10.487 1.00 0.00 O ATOM 814 CB VAL A 56 2.600 -2.792 -7.740 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.929 -2.125 -7.420 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.634 -2.661 -6.572 1.00 0.00 C ATOM 0 H VAL A 56 0.915 -3.693 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 56 1.710 -1.152 -8.823 1.00 0.00 H new ATOM 0 HB VAL A 56 2.785 -3.852 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.348 -2.564 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.620 -2.275 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.773 -1.057 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.084 -3.093 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.416 -1.608 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.709 -3.189 -6.804 1.00 0.00 H new ATOM 826 N ASN A 57 3.335 -1.068 -10.692 1.00 0.00 N ATOM 827 CA ASN A 57 4.311 -0.974 -11.772 1.00 0.00 C ATOM 828 C ASN A 57 3.945 -1.912 -12.918 1.00 0.00 C ATOM 829 O ASN A 57 4.817 -2.409 -13.630 1.00 0.00 O ATOM 830 CB ASN A 57 5.711 -1.307 -11.252 1.00 0.00 C ATOM 831 CG ASN A 57 6.355 -0.137 -10.534 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.729 -0.241 -9.365 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.488 0.985 -11.231 1.00 0.00 N ATOM 0 H ASN A 57 2.928 -0.175 -10.413 1.00 0.00 H new ATOM 0 HA ASN A 57 4.304 0.049 -12.147 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.651 -2.158 -10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.343 -1.610 -12.087 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.914 1.805 -10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.164 1.027 -12.197 1.00 0.00 H new ATOM 840 N GLY A 58 2.649 -2.149 -13.091 1.00 0.00 N ATOM 841 CA GLY A 58 2.190 -3.026 -14.152 1.00 0.00 C ATOM 842 C GLY A 58 2.252 -4.489 -13.763 1.00 0.00 C ATOM 843 O GLY A 58 2.427 -5.360 -14.616 1.00 0.00 O ATOM 0 H GLY A 58 1.908 -1.749 -12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.165 -2.767 -14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.798 -2.864 -15.042 1.00 0.00 H new ATOM 847 N THR A 59 2.110 -4.763 -12.470 1.00 0.00 N ATOM 848 CA THR A 59 2.154 -6.130 -11.968 1.00 0.00 C ATOM 849 C THR A 59 0.928 -6.444 -11.119 1.00 0.00 C ATOM 850 O THR A 59 0.763 -5.902 -10.027 1.00 0.00 O ATOM 851 CB THR A 59 3.422 -6.381 -11.131 1.00 0.00 C ATOM 852 OG1 THR A 59 4.564 -5.823 -11.792 1.00 0.00 O ATOM 853 CG2 THR A 59 3.638 -7.871 -10.908 1.00 0.00 C ATOM 0 H THR A 59 1.963 -4.055 -11.751 1.00 0.00 H new ATOM 0 HA THR A 59 2.167 -6.786 -12.839 1.00 0.00 H new ATOM 0 HB THR A 59 3.291 -5.899 -10.162 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.604 -4.859 -11.618 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.539 -8.023 -10.314 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.781 -8.288 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.749 -8.371 -11.870 1.00 0.00 H new ATOM 861 N MET A 60 0.070 -7.323 -11.627 1.00 0.00 N ATOM 862 CA MET A 60 -1.140 -7.710 -10.913 1.00 0.00 C ATOM 863 C MET A 60 -0.800 -8.317 -9.555 1.00 0.00 C ATOM 864 O MET A 60 -0.348 -9.459 -9.471 1.00 0.00 O ATOM 865 CB MET A 60 -1.951 -8.708 -11.742 1.00 0.00 C ATOM 866 CG MET A 60 -2.909 -8.049 -12.720 1.00 0.00 C ATOM 867 SD MET A 60 -4.243 -9.148 -13.234 1.00 0.00 S ATOM 868 CE MET A 60 -5.440 -8.858 -11.933 1.00 0.00 C ATOM 0 H MET A 60 0.191 -7.780 -12.531 1.00 0.00 H new ATOM 0 HA MET A 60 -1.738 -6.813 -10.751 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.265 -9.350 -12.295 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.518 -9.351 -11.069 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.335 -7.157 -12.260 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.355 -7.720 -13.599 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.325 -9.469 -12.110 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.003 -9.124 -10.971 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.721 -7.805 -11.926 1.00 0.00 H new ATOM 878 N VAL A 61 -1.020 -7.546 -8.495 1.00 0.00 N ATOM 879 CA VAL A 61 -0.737 -8.009 -7.142 1.00 0.00 C ATOM 880 C VAL A 61 -1.913 -7.736 -6.211 1.00 0.00 C ATOM 881 O VAL A 61 -2.135 -6.600 -5.788 1.00 0.00 O ATOM 882 CB VAL A 61 0.524 -7.333 -6.570 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.717 -7.571 -7.482 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.285 -5.845 -6.367 1.00 0.00 C ATOM 0 H VAL A 61 -1.393 -6.598 -8.547 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.568 -9.084 -7.204 1.00 0.00 H new ATOM 0 HB VAL A 61 0.745 -7.777 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.598 -7.086 -7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.899 -8.642 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.510 -7.156 -8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.186 -5.384 -5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.038 -5.382 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.541 -5.701 -5.670 1.00 0.00 H new ATOM 894 N THR A 62 -2.666 -8.785 -5.894 1.00 0.00 N ATOM 895 CA THR A 62 -3.820 -8.659 -5.013 1.00 0.00 C ATOM 896 C THR A 62 -3.760 -9.676 -3.879 1.00 0.00 C ATOM 897 O THR A 62 -4.203 -9.403 -2.764 1.00 0.00 O ATOM 898 CB THR A 62 -5.139 -8.846 -5.786 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.955 -9.787 -6.850 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.627 -7.521 -6.353 1.00 0.00 C ATOM 0 H THR A 62 -2.497 -9.731 -6.235 1.00 0.00 H new ATOM 0 HA THR A 62 -3.791 -7.652 -4.596 1.00 0.00 H new ATOM 0 HB THR A 62 -5.890 -9.225 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.799 -9.901 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.560 -7.678 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.795 -6.816 -5.538 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.876 -7.118 -7.033 1.00 0.00 H new ATOM 908 N ASN A 63 -3.210 -10.850 -4.172 1.00 0.00 N ATOM 909 CA ASN A 63 -3.092 -11.908 -3.176 1.00 0.00 C ATOM 910 C ASN A 63 -1.668 -12.455 -3.128 1.00 0.00 C ATOM 911 O ASN A 63 -1.454 -13.665 -3.192 1.00 0.00 O ATOM 912 CB ASN A 63 -4.074 -13.040 -3.485 1.00 0.00 C ATOM 913 CG ASN A 63 -4.173 -13.330 -4.971 1.00 0.00 C ATOM 914 OD1 ASN A 63 -3.160 -13.436 -5.662 1.00 0.00 O ATOM 915 ND2 ASN A 63 -5.398 -13.459 -5.468 1.00 0.00 N ATOM 0 H ASN A 63 -2.839 -11.092 -5.091 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.332 -11.483 -2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.760 -13.943 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.060 -12.777 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.528 -13.654 -6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.209 -13.363 -4.857 1.00 0.00 H new ATOM 922 N SER A 64 -0.698 -11.553 -3.015 1.00 0.00 N ATOM 923 CA SER A 64 0.706 -11.944 -2.962 1.00 0.00 C ATOM 924 C SER A 64 1.315 -11.599 -1.607 1.00 0.00 C ATOM 925 O SER A 64 0.758 -10.807 -0.847 1.00 0.00 O ATOM 926 CB SER A 64 1.492 -11.252 -4.078 1.00 0.00 C ATOM 927 OG SER A 64 1.303 -11.910 -5.318 1.00 0.00 O ATOM 0 H SER A 64 -0.858 -10.547 -2.958 1.00 0.00 H new ATOM 0 HA SER A 64 0.763 -13.023 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.173 -10.213 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.553 -11.240 -3.827 1.00 0.00 H new ATOM 0 HG SER A 64 1.814 -11.448 -6.015 1.00 0.00 H new ATOM 933 N SER A 65 2.463 -12.200 -1.310 1.00 0.00 N ATOM 934 CA SER A 65 3.147 -11.961 -0.045 1.00 0.00 C ATOM 935 C SER A 65 3.959 -10.671 -0.102 1.00 0.00 C ATOM 936 O SER A 65 4.402 -10.249 -1.171 1.00 0.00 O ATOM 937 CB SER A 65 4.062 -13.138 0.295 1.00 0.00 C ATOM 938 OG SER A 65 5.145 -13.222 -0.615 1.00 0.00 O ATOM 0 H SER A 65 2.939 -12.856 -1.929 1.00 0.00 H new ATOM 0 HA SER A 65 2.392 -11.861 0.734 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.444 -13.025 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.490 -14.066 0.271 1.00 0.00 H new ATOM 0 HG SER A 65 5.716 -13.981 -0.375 1.00 0.00 H new ATOM 944 N HIS A 66 4.150 -10.047 1.057 1.00 0.00 N ATOM 945 CA HIS A 66 4.909 -8.805 1.140 1.00 0.00 C ATOM 946 C HIS A 66 6.135 -8.855 0.234 1.00 0.00 C ATOM 947 O HIS A 66 6.182 -8.191 -0.802 1.00 0.00 O ATOM 948 CB HIS A 66 5.337 -8.540 2.584 1.00 0.00 C ATOM 949 CG HIS A 66 5.875 -7.160 2.805 1.00 0.00 C ATOM 950 ND1 HIS A 66 6.702 -6.835 3.860 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.701 -6.018 2.100 1.00 0.00 C ATOM 952 CE1 HIS A 66 7.012 -5.552 3.795 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.417 -5.034 2.735 1.00 0.00 N ATOM 0 H HIS A 66 3.790 -10.382 1.951 1.00 0.00 H new ATOM 0 HA HIS A 66 4.265 -7.992 0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.483 -8.698 3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.097 -9.267 2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.109 -5.902 1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.644 -5.018 4.490 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.480 -4.061 2.437 1.00 0.00 H new ATOM 962 N LEU A 67 7.126 -9.646 0.631 1.00 0.00 N ATOM 963 CA LEU A 67 8.353 -9.783 -0.145 1.00 0.00 C ATOM 964 C LEU A 67 8.061 -9.728 -1.641 1.00 0.00 C ATOM 965 O LEU A 67 8.459 -8.787 -2.326 1.00 0.00 O ATOM 966 CB LEU A 67 9.054 -11.098 0.201 1.00 0.00 C ATOM 967 CG LEU A 67 10.578 -11.100 0.073 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.997 -10.672 -1.325 1.00 0.00 C ATOM 969 CD2 LEU A 67 11.202 -10.190 1.121 1.00 0.00 C ATOM 0 H LEU A 67 7.103 -10.202 1.486 1.00 0.00 H new ATOM 0 HA LEU A 67 9.009 -8.950 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.795 -11.366 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.654 -11.880 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 67 10.936 -12.115 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.085 -10.679 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.580 -11.363 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.627 -9.666 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.287 -10.204 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.837 -9.172 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.930 -10.541 2.116 1.00 0.00 H new ATOM 981 N GLU A 68 7.361 -10.742 -2.140 1.00 0.00 N ATOM 982 CA GLU A 68 7.014 -10.807 -3.555 1.00 0.00 C ATOM 983 C GLU A 68 6.640 -9.427 -4.087 1.00 0.00 C ATOM 984 O GLU A 68 6.982 -9.070 -5.215 1.00 0.00 O ATOM 985 CB GLU A 68 5.856 -11.782 -3.775 1.00 0.00 C ATOM 986 CG GLU A 68 6.292 -13.234 -3.868 1.00 0.00 C ATOM 987 CD GLU A 68 6.912 -13.573 -5.209 1.00 0.00 C ATOM 988 OE1 GLU A 68 7.814 -12.831 -5.651 1.00 0.00 O ATOM 989 OE2 GLU A 68 6.495 -14.581 -5.818 1.00 0.00 O ATOM 0 H GLU A 68 7.023 -11.529 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 68 7.887 -11.163 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.144 -11.677 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.332 -11.510 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.011 -13.445 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.431 -13.880 -3.697 1.00 0.00 H new ATOM 996 N VAL A 69 5.934 -8.654 -3.268 1.00 0.00 N ATOM 997 CA VAL A 69 5.513 -7.313 -3.654 1.00 0.00 C ATOM 998 C VAL A 69 6.655 -6.314 -3.504 1.00 0.00 C ATOM 999 O VAL A 69 6.766 -5.361 -4.275 1.00 0.00 O ATOM 1000 CB VAL A 69 4.314 -6.836 -2.813 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.875 -5.446 -3.248 1.00 0.00 C ATOM 1002 CG2 VAL A 69 3.164 -7.825 -2.919 1.00 0.00 C ATOM 0 H VAL A 69 5.641 -8.934 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 69 5.214 -7.365 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 69 4.623 -6.782 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.027 -5.126 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.700 -4.746 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.583 -5.469 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.325 -7.473 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.854 -7.912 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.488 -8.800 -2.554 1.00 0.00 H new ATOM 1012 N VAL A 70 7.503 -6.538 -2.505 1.00 0.00 N ATOM 1013 CA VAL A 70 8.638 -5.658 -2.253 1.00 0.00 C ATOM 1014 C VAL A 70 9.464 -5.452 -3.517 1.00 0.00 C ATOM 1015 O VAL A 70 9.724 -4.319 -3.925 1.00 0.00 O ATOM 1016 CB VAL A 70 9.548 -6.219 -1.144 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.740 -5.303 -0.917 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.761 -6.413 0.143 1.00 0.00 C ATOM 0 H VAL A 70 7.425 -7.322 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 70 8.230 -4.701 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 70 9.924 -7.191 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.371 -5.716 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.316 -5.220 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.388 -4.315 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.419 -6.810 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.355 -5.455 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.944 -7.113 -0.032 1.00 0.00 H new ATOM 1028 N LYS A 71 9.875 -6.554 -4.135 1.00 0.00 N ATOM 1029 CA LYS A 71 10.671 -6.496 -5.356 1.00 0.00 C ATOM 1030 C LYS A 71 10.128 -5.437 -6.310 1.00 0.00 C ATOM 1031 O LYS A 71 10.891 -4.710 -6.947 1.00 0.00 O ATOM 1032 CB LYS A 71 10.683 -7.861 -6.046 1.00 0.00 C ATOM 1033 CG LYS A 71 11.813 -8.766 -5.585 1.00 0.00 C ATOM 1034 CD LYS A 71 11.394 -9.619 -4.398 1.00 0.00 C ATOM 1035 CE LYS A 71 10.577 -10.824 -4.838 1.00 0.00 C ATOM 1036 NZ LYS A 71 11.444 -11.946 -5.293 1.00 0.00 N ATOM 0 H LYS A 71 9.670 -7.499 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 71 11.691 -6.225 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.731 -8.360 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.763 -7.714 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.122 -9.411 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.677 -8.161 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.280 -9.956 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.809 -9.016 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.952 -11.161 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.906 -10.532 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.849 -12.748 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.022 -11.633 -6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.066 -12.242 -4.514 1.00 0.00 H new ATOM 1050 N LEU A 72 8.805 -5.353 -6.403 1.00 0.00 N ATOM 1051 CA LEU A 72 8.159 -4.381 -7.278 1.00 0.00 C ATOM 1052 C LEU A 72 8.317 -2.966 -6.731 1.00 0.00 C ATOM 1053 O LEU A 72 8.666 -2.042 -7.465 1.00 0.00 O ATOM 1054 CB LEU A 72 6.675 -4.716 -7.438 1.00 0.00 C ATOM 1055 CG LEU A 72 6.355 -6.127 -7.933 1.00 0.00 C ATOM 1056 CD1 LEU A 72 4.909 -6.485 -7.626 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.630 -6.244 -9.425 1.00 0.00 C ATOM 0 H LEU A 72 8.159 -5.947 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 72 8.643 -4.429 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.184 -4.570 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.234 -4.000 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 72 7.001 -6.831 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.699 -7.492 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.744 -6.442 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.246 -5.777 -8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.397 -7.255 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.009 -5.530 -9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.681 -6.031 -9.619 1.00 0.00 H new ATOM 1069 N ILE A 73 8.061 -2.806 -5.437 1.00 0.00 N ATOM 1070 CA ILE A 73 8.178 -1.504 -4.791 1.00 0.00 C ATOM 1071 C ILE A 73 9.567 -0.910 -4.999 1.00 0.00 C ATOM 1072 O ILE A 73 9.707 0.255 -5.371 1.00 0.00 O ATOM 1073 CB ILE A 73 7.893 -1.598 -3.280 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.404 -1.852 -3.035 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.342 -0.326 -2.577 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.082 -2.218 -1.603 1.00 0.00 C ATOM 0 H ILE A 73 7.771 -3.561 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 73 7.435 -0.854 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 73 8.457 -2.435 -2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.841 -0.959 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.068 -2.655 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.134 -0.407 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.412 -0.185 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.802 0.527 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.009 -2.384 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.617 -3.128 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.387 -1.406 -0.943 1.00 0.00 H new ATOM 1088 N LYS A 74 10.593 -1.720 -4.758 1.00 0.00 N ATOM 1089 CA LYS A 74 11.972 -1.277 -4.922 1.00 0.00 C ATOM 1090 C LYS A 74 12.421 -1.420 -6.373 1.00 0.00 C ATOM 1091 O LYS A 74 13.445 -2.041 -6.657 1.00 0.00 O ATOM 1092 CB LYS A 74 12.900 -2.081 -4.008 1.00 0.00 C ATOM 1093 CG LYS A 74 12.900 -3.571 -4.301 1.00 0.00 C ATOM 1094 CD LYS A 74 14.190 -4.229 -3.843 1.00 0.00 C ATOM 1095 CE LYS A 74 14.113 -4.651 -2.383 1.00 0.00 C ATOM 1096 NZ LYS A 74 13.577 -6.032 -2.233 1.00 0.00 N ATOM 0 H LYS A 74 10.495 -2.687 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 74 12.024 -0.224 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.916 -1.699 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.602 -1.923 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.053 -4.041 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.768 -3.732 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.396 -5.101 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.021 -3.537 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.106 -4.596 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.478 -3.954 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.223 -6.164 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.800 -6.178 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.333 -6.720 -2.422 1.00 0.00 H new ATOM 1110 N SER A 75 11.649 -0.841 -7.286 1.00 0.00 N ATOM 1111 CA SER A 75 11.967 -0.906 -8.708 1.00 0.00 C ATOM 1112 C SER A 75 11.371 0.285 -9.453 1.00 0.00 C ATOM 1113 O SER A 75 10.157 0.379 -9.627 1.00 0.00 O ATOM 1114 CB SER A 75 11.444 -2.212 -9.310 1.00 0.00 C ATOM 1115 OG SER A 75 12.018 -2.454 -10.582 1.00 0.00 O ATOM 0 H SER A 75 10.799 -0.322 -7.067 1.00 0.00 H new ATOM 0 HA SER A 75 13.051 -0.874 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.673 -3.041 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.359 -2.165 -9.400 1.00 0.00 H new ATOM 0 HG SER A 75 11.669 -3.295 -10.944 1.00 0.00 H new ATOM 1121 N GLY A 76 12.237 1.193 -9.892 1.00 0.00 N ATOM 1122 CA GLY A 76 11.779 2.367 -10.613 1.00 0.00 C ATOM 1123 C GLY A 76 11.781 3.614 -9.751 1.00 0.00 C ATOM 1124 O GLY A 76 11.500 3.550 -8.555 1.00 0.00 O ATOM 0 H GLY A 76 13.247 1.137 -9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.418 2.528 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.771 2.189 -10.987 1.00 0.00 H new ATOM 1128 N ALA A 77 12.099 4.751 -10.360 1.00 0.00 N ATOM 1129 CA ALA A 77 12.135 6.019 -9.641 1.00 0.00 C ATOM 1130 C ALA A 77 10.903 6.185 -8.759 1.00 0.00 C ATOM 1131 O ALA A 77 10.946 6.873 -7.739 1.00 0.00 O ATOM 1132 CB ALA A 77 12.246 7.178 -10.620 1.00 0.00 C ATOM 0 H ALA A 77 12.336 4.821 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 77 13.014 6.018 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.272 8.118 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.160 7.074 -11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.385 7.173 -11.289 1.00 0.00 H new ATOM 1138 N TYR A 78 9.806 5.551 -9.158 1.00 0.00 N ATOM 1139 CA TYR A 78 8.560 5.631 -8.405 1.00 0.00 C ATOM 1140 C TYR A 78 7.778 4.325 -8.504 1.00 0.00 C ATOM 1141 O TYR A 78 8.215 3.373 -9.151 1.00 0.00 O ATOM 1142 CB TYR A 78 7.704 6.791 -8.916 1.00 0.00 C ATOM 1143 CG TYR A 78 7.894 7.080 -10.388 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.492 6.165 -11.354 1.00 0.00 C ATOM 1145 CD2 TYR A 78 8.476 8.268 -10.813 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.665 6.425 -12.699 1.00 0.00 C ATOM 1147 CE2 TYR A 78 8.650 8.537 -12.157 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.244 7.612 -13.096 1.00 0.00 C ATOM 1149 OH TYR A 78 8.417 7.876 -14.436 1.00 0.00 O ATOM 0 H TYR A 78 9.754 4.976 -9.999 1.00 0.00 H new ATOM 0 HA TYR A 78 8.809 5.806 -7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.654 6.566 -8.731 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.943 7.688 -8.344 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.037 5.235 -11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.798 8.993 -10.080 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.348 5.702 -13.436 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.102 9.467 -12.471 1.00 0.00 H new ATOM 0 HH TYR A 78 8.838 8.754 -14.545 1.00 0.00 H new ATOM 1159 N VAL A 79 6.617 4.287 -7.858 1.00 0.00 N ATOM 1160 CA VAL A 79 5.772 3.099 -7.874 1.00 0.00 C ATOM 1161 C VAL A 79 4.316 3.464 -8.141 1.00 0.00 C ATOM 1162 O VAL A 79 3.665 4.108 -7.318 1.00 0.00 O ATOM 1163 CB VAL A 79 5.860 2.329 -6.542 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.755 3.286 -5.364 1.00 0.00 C ATOM 1165 CG2 VAL A 79 4.778 1.262 -6.472 1.00 0.00 C ATOM 0 H VAL A 79 6.240 5.065 -7.317 1.00 0.00 H new ATOM 0 HA VAL A 79 6.138 2.461 -8.679 1.00 0.00 H new ATOM 0 HB VAL A 79 6.830 1.834 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.819 2.724 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.570 4.009 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.801 3.811 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.855 0.728 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.798 1.733 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.906 0.560 -7.296 1.00 0.00 H new ATOM 1175 N ALA A 80 3.810 3.049 -9.298 1.00 0.00 N ATOM 1176 CA ALA A 80 2.430 3.330 -9.673 1.00 0.00 C ATOM 1177 C ALA A 80 1.466 2.377 -8.974 1.00 0.00 C ATOM 1178 O ALA A 80 1.327 1.218 -9.369 1.00 0.00 O ATOM 1179 CB ALA A 80 2.264 3.238 -11.183 1.00 0.00 C ATOM 0 H ALA A 80 4.336 2.517 -9.992 1.00 0.00 H new ATOM 0 HA ALA A 80 2.192 4.345 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.228 3.450 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.919 3.964 -11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.526 2.234 -11.517 1.00 0.00 H new ATOM 1185 N LEU A 81 0.802 2.870 -7.935 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.149 2.062 -7.180 1.00 0.00 C ATOM 1187 C LEU A 81 -1.577 2.326 -7.646 1.00 0.00 C ATOM 1188 O LEU A 81 -1.946 3.463 -7.941 1.00 0.00 O ATOM 1189 CB LEU A 81 -0.025 2.357 -5.684 1.00 0.00 C ATOM 1190 CG LEU A 81 1.382 2.254 -5.094 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.507 3.131 -3.857 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.716 0.808 -4.761 1.00 0.00 C ATOM 0 H LEU A 81 0.905 3.826 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 81 0.083 1.012 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.402 3.363 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.675 1.669 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 81 2.095 2.608 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.515 3.045 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.311 4.169 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.785 2.808 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.721 0.754 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.999 0.427 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.668 0.205 -5.668 1.00 0.00 H new ATOM 1204 N THR A 82 -2.379 1.267 -7.707 1.00 0.00 N ATOM 1205 CA THR A 82 -3.767 1.383 -8.136 1.00 0.00 C ATOM 1206 C THR A 82 -4.724 1.120 -6.978 1.00 0.00 C ATOM 1207 O THR A 82 -5.059 -0.029 -6.686 1.00 0.00 O ATOM 1208 CB THR A 82 -4.085 0.405 -9.283 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.356 0.776 -10.458 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.576 0.394 -9.586 1.00 0.00 C ATOM 0 H THR A 82 -2.090 0.319 -7.465 1.00 0.00 H new ATOM 0 HA THR A 82 -3.903 2.404 -8.492 1.00 0.00 H new ATOM 0 HB THR A 82 -3.787 -0.596 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.562 0.149 -11.182 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.777 -0.304 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.126 0.084 -8.697 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.895 1.394 -9.879 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.160 2.189 -6.323 1.00 0.00 N ATOM 1219 CA LEU A 83 -6.080 2.073 -5.196 1.00 0.00 C ATOM 1220 C LEU A 83 -7.528 2.060 -5.675 1.00 0.00 C ATOM 1221 O LEU A 83 -7.911 2.837 -6.550 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.865 3.228 -4.216 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.437 3.765 -4.114 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -4.380 4.950 -3.162 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.486 2.667 -3.660 1.00 0.00 C ATOM 0 H LEU A 83 -4.892 3.146 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.876 1.131 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.521 4.049 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.180 2.901 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.124 4.103 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.356 5.319 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.031 5.743 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.712 4.638 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.474 3.067 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.796 2.298 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.506 1.848 -4.379 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.329 1.173 -5.094 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.737 1.060 -5.460 1.00 0.00 C ATOM 1239 C LEU A 84 -10.624 1.756 -4.433 1.00 0.00 C ATOM 1240 O LEU A 84 -10.459 1.572 -3.228 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.136 -0.412 -5.580 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.421 -0.697 -6.359 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -12.584 0.090 -5.776 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -11.236 -0.367 -7.832 1.00 0.00 C ATOM 0 H LEU A 84 -8.028 0.522 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.877 1.548 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.318 -0.952 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.245 -0.821 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.648 -1.759 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.490 -0.125 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.731 -0.196 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.366 1.157 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.160 -0.576 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.984 0.688 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.431 -0.976 -8.243 1.00 0.00 H new ATOM 1256 N GLY A 85 -11.568 2.557 -4.919 1.00 0.00 N ATOM 1257 CA GLY A 85 -12.469 3.267 -4.030 1.00 0.00 C ATOM 1258 C GLY A 85 -12.819 2.462 -2.795 1.00 0.00 C ATOM 1259 O GLY A 85 -13.585 1.501 -2.868 1.00 0.00 O ATOM 0 H GLY A 85 -11.725 2.727 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.010 4.208 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.383 3.517 -4.568 1.00 0.00 H new ATOM 1263 N SER A 86 -12.255 2.852 -1.656 1.00 0.00 N ATOM 1264 CA SER A 86 -12.508 2.156 -0.400 1.00 0.00 C ATOM 1265 C SER A 86 -14.003 2.101 -0.100 1.00 0.00 C ATOM 1266 O SER A 86 -14.804 2.764 -0.759 1.00 0.00 O ATOM 1267 CB SER A 86 -11.772 2.850 0.749 1.00 0.00 C ATOM 1268 OG SER A 86 -10.452 2.352 0.883 1.00 0.00 O ATOM 0 H SER A 86 -11.620 3.646 -1.577 1.00 0.00 H new ATOM 0 HA SER A 86 -12.137 1.136 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.742 3.925 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.318 2.697 1.680 1.00 0.00 H new ATOM 0 HG SER A 86 -10.002 2.812 1.622 1.00 0.00 H new ATOM 1274 N SER A 87 -14.371 1.303 0.898 1.00 0.00 N ATOM 1275 CA SER A 87 -15.769 1.157 1.283 1.00 0.00 C ATOM 1276 C SER A 87 -15.930 1.259 2.796 1.00 0.00 C ATOM 1277 O SER A 87 -15.447 0.407 3.542 1.00 0.00 O ATOM 1278 CB SER A 87 -16.318 -0.183 0.790 1.00 0.00 C ATOM 1279 OG SER A 87 -17.612 -0.428 1.313 1.00 0.00 O ATOM 0 H SER A 87 -13.720 0.748 1.454 1.00 0.00 H new ATOM 0 HA SER A 87 -16.334 1.966 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.356 -0.185 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 87 -15.644 -0.987 1.087 1.00 0.00 H new ATOM 0 HG SER A 87 -17.941 -1.290 0.982 1.00 0.00 H new ATOM 1285 N SER A 88 -16.611 2.309 3.243 1.00 0.00 N ATOM 1286 CA SER A 88 -16.833 2.527 4.668 1.00 0.00 C ATOM 1287 C SER A 88 -17.842 1.525 5.220 1.00 0.00 C ATOM 1288 O SER A 88 -17.597 0.875 6.236 1.00 0.00 O ATOM 1289 CB SER A 88 -17.325 3.954 4.917 1.00 0.00 C ATOM 1290 OG SER A 88 -16.515 4.898 4.240 1.00 0.00 O ATOM 0 H SER A 88 -17.019 3.023 2.639 1.00 0.00 H new ATOM 0 HA SER A 88 -15.884 2.383 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.358 4.050 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.316 4.164 5.987 1.00 0.00 H new ATOM 0 HG SER A 88 -16.851 5.802 4.414 1.00 0.00 H new ATOM 1296 N GLY A 89 -18.980 1.405 4.542 1.00 0.00 N ATOM 1297 CA GLY A 89 -20.010 0.481 4.978 1.00 0.00 C ATOM 1298 C GLY A 89 -20.189 -0.682 4.023 1.00 0.00 C ATOM 1299 O GLY A 89 -21.064 -0.673 3.157 1.00 0.00 O ATOM 0 H GLY A 89 -19.206 1.932 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.756 0.099 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.955 1.015 5.076 1.00 0.00 H new ATOM 1303 N PRO A 90 -19.343 -1.712 4.174 1.00 0.00 N ATOM 1304 CA PRO A 90 -19.391 -2.906 3.325 1.00 0.00 C ATOM 1305 C PRO A 90 -20.629 -3.757 3.590 1.00 0.00 C ATOM 1306 O PRO A 90 -20.866 -4.754 2.909 1.00 0.00 O ATOM 1307 CB PRO A 90 -18.124 -3.670 3.716 1.00 0.00 C ATOM 1308 CG PRO A 90 -17.825 -3.223 5.105 1.00 0.00 C ATOM 1309 CD PRO A 90 -18.275 -1.790 5.185 1.00 0.00 C ATOM 0 HA PRO A 90 -19.443 -2.651 2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -18.282 -4.748 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -17.300 -3.441 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -18.351 -3.839 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.760 -3.310 5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -18.644 -1.539 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.461 -1.100 4.964 1.00 0.00 H new ATOM 1317 N SER A 91 -21.415 -3.355 4.583 1.00 0.00 N ATOM 1318 CA SER A 91 -22.628 -4.082 4.940 1.00 0.00 C ATOM 1319 C SER A 91 -23.713 -3.880 3.887 1.00 0.00 C ATOM 1320 O SER A 91 -24.288 -2.798 3.772 1.00 0.00 O ATOM 1321 CB SER A 91 -23.138 -3.625 6.308 1.00 0.00 C ATOM 1322 OG SER A 91 -23.691 -2.322 6.237 1.00 0.00 O ATOM 0 H SER A 91 -21.234 -2.530 5.155 1.00 0.00 H new ATOM 0 HA SER A 91 -22.385 -5.143 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.892 -4.324 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.319 -3.637 7.027 1.00 0.00 H new ATOM 0 HG SER A 91 -23.985 -2.141 5.320 1.00 0.00 H new ATOM 1328 N SER A 92 -23.986 -4.931 3.119 1.00 0.00 N ATOM 1329 CA SER A 92 -24.999 -4.869 2.072 1.00 0.00 C ATOM 1330 C SER A 92 -26.399 -4.798 2.674 1.00 0.00 C ATOM 1331 O SER A 92 -26.925 -5.793 3.170 1.00 0.00 O ATOM 1332 CB SER A 92 -24.888 -6.087 1.153 1.00 0.00 C ATOM 1333 OG SER A 92 -25.869 -6.047 0.131 1.00 0.00 O ATOM 0 H SER A 92 -23.520 -5.835 3.202 1.00 0.00 H new ATOM 0 HA SER A 92 -24.827 -3.965 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 92 -23.894 -6.120 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.005 -6.999 1.738 1.00 0.00 H new ATOM 0 HG SER A 92 -25.775 -6.836 -0.443 1.00 0.00 H new ATOM 1339 N GLY A 93 -26.998 -3.612 2.625 1.00 0.00 N ATOM 1340 CA GLY A 93 -28.332 -3.432 3.169 1.00 0.00 C ATOM 1341 C GLY A 93 -28.381 -2.360 4.239 1.00 0.00 C ATOM 1342 O GLY A 93 -27.979 -1.220 4.005 1.00 0.00 O ATOM 0 H GLY A 93 -26.584 -2.773 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -29.017 -3.169 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -28.681 -4.376 3.588 1.00 0.00 H new TER 1346 GLY A 93