USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -0.236 K(o=-0.24,f=-3.1!) USER MOD Set 1.2: A 76 GLN : amide:sc= 0 K(o=-0.24,f=-2.5) USER MOD Set 2.1: A 60 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.3!) USER MOD Set 2.2: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 20 CYS SG : rot -26:sc= 1.29 USER MOD Set 3.2: A 42 CYS SG : rot 108:sc= -1.25 USER MOD Set 3.3: A 43 CYS SG : rot 115:sc= 0.391 USER MOD Set 4.1: A 15 SER OG : rot 89:sc= 0.027 USER MOD Set 4.2: A 17 SER OG : rot -167:sc= 0.557 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 86:sc= 0.486 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 9 ASN : amide:sc= -0.82 K(o=-0.82,f=-7.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0164) USER MOD Single : A 23 CYS SG : rot 24:sc= 0.29 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0326 USER MOD Single : A 51 MET CE :methyl -136:sc= -1.05 (180deg=-3.09!) USER MOD Single : A 52 ASN : amide:sc= -0.0764 X(o=-0.076,f=0) USER MOD Single : A 53 MET CE :methyl -139:sc= -1.1 (180deg=-2.8!) USER MOD Single : A 54 MET CE :methyl 146:sc= -0.21 (180deg=-1.11) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -1.06 (180deg=-1.32) USER MOD Single : A 64 HIS : no HD1:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -2.73 F(o=-3.9!,f=-2.7) USER MOD Single : A 70 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -5.15! C(o=-5.8!,f=-5.1!) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -4.15! (180deg=-4.57!) USER MOD Single : A 85 ASN : amide:sc= -0.0802 K(o=-0.08,f=-2.9) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -156:sc= -0.0159 (180deg=-0.267) USER MOD Single : A 103 LYS NZ :NH3+ -122:sc= -0.11 (180deg=-1.03) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0281 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.930 16.834 -5.111 1.00 0.00 N ATOM 2 CA MET A 1 5.335 15.850 -5.998 1.00 0.00 C ATOM 3 C MET A 1 5.490 14.436 -5.433 1.00 0.00 C ATOM 4 O MET A 1 6.265 13.636 -5.955 1.00 0.00 O ATOM 5 CB MET A 1 6.005 15.926 -7.371 1.00 0.00 C ATOM 6 CG MET A 1 5.266 15.059 -8.392 1.00 0.00 C ATOM 7 SD MET A 1 4.249 16.082 -9.441 1.00 0.00 S ATOM 8 CE MET A 1 2.628 15.573 -8.895 1.00 0.00 C ATOM 0 H1 MET A 1 5.811 17.784 -5.517 1.00 0.00 H new ATOM 0 H2 MET A 1 5.462 16.793 -4.183 1.00 0.00 H new ATOM 0 H3 MET A 1 6.943 16.630 -4.997 1.00 0.00 H new ATOM 0 HA MET A 1 4.271 16.070 -6.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.024 16.961 -7.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.041 15.597 -7.292 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.983 14.504 -8.997 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.647 14.324 -7.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.868 16.120 -9.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.505 14.504 -9.067 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.519 15.784 -7.831 1.00 0.00 H new ATOM 16 N SER A 2 4.742 14.173 -4.371 1.00 0.00 N ATOM 17 CA SER A 2 4.787 12.870 -3.728 1.00 0.00 C ATOM 18 C SER A 2 3.374 12.296 -3.610 1.00 0.00 C ATOM 19 O SER A 2 2.472 12.957 -3.099 1.00 0.00 O ATOM 20 CB SER A 2 5.441 12.960 -2.348 1.00 0.00 C ATOM 21 OG SER A 2 4.974 14.083 -1.608 1.00 0.00 O ATOM 0 H SER A 2 4.102 14.840 -3.940 1.00 0.00 H new ATOM 0 HA SER A 2 5.392 12.205 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.235 12.047 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.523 13.026 -2.463 1.00 0.00 H new ATOM 0 HG SER A 2 4.148 13.844 -1.138 1.00 0.00 H new ATOM 26 N GLU A 3 3.226 11.070 -4.091 1.00 0.00 N ATOM 27 CA GLU A 3 1.938 10.400 -4.045 1.00 0.00 C ATOM 28 C GLU A 3 2.127 8.906 -3.770 1.00 0.00 C ATOM 29 O GLU A 3 2.897 8.236 -4.456 1.00 0.00 O ATOM 30 CB GLU A 3 1.157 10.622 -5.342 1.00 0.00 C ATOM 31 CG GLU A 3 0.892 12.111 -5.574 1.00 0.00 C ATOM 32 CD GLU A 3 -0.464 12.329 -6.246 1.00 0.00 C ATOM 33 OE1 GLU A 3 -0.710 11.791 -7.335 1.00 0.00 O ATOM 34 OE2 GLU A 3 -1.281 13.088 -5.595 1.00 0.00 O ATOM 0 H GLU A 3 3.976 10.524 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 3 1.356 10.830 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.718 10.213 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.211 10.083 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.919 12.641 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.682 12.532 -6.196 1.00 0.00 H new ATOM 40 N VAL A 4 1.410 8.428 -2.763 1.00 0.00 N ATOM 41 CA VAL A 4 1.489 7.026 -2.388 1.00 0.00 C ATOM 42 C VAL A 4 0.090 6.408 -2.444 1.00 0.00 C ATOM 43 O VAL A 4 -0.841 6.913 -1.819 1.00 0.00 O ATOM 44 CB VAL A 4 2.148 6.889 -1.014 1.00 0.00 C ATOM 45 CG1 VAL A 4 1.905 8.136 -0.162 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.659 5.630 -0.294 1.00 0.00 C ATOM 0 H VAL A 4 0.772 8.986 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 4 2.115 6.477 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 4 3.223 6.792 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.384 8.012 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.324 9.008 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.833 8.278 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.143 5.557 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.579 5.684 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.907 4.751 -0.889 1.00 0.00 H new ATOM 56 N ASN A 5 -0.013 5.324 -3.199 1.00 0.00 N ATOM 57 CA ASN A 5 -1.282 4.633 -3.346 1.00 0.00 C ATOM 58 C ASN A 5 -1.034 3.123 -3.381 1.00 0.00 C ATOM 59 O ASN A 5 -0.307 2.630 -4.243 1.00 0.00 O ATOM 60 CB ASN A 5 -1.979 5.028 -4.649 1.00 0.00 C ATOM 61 CG ASN A 5 -0.996 5.695 -5.614 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.746 6.887 -5.561 1.00 0.00 O ATOM 63 ND2 ASN A 5 -0.456 4.861 -6.498 1.00 0.00 N ATOM 0 H ASN A 5 0.762 4.908 -3.715 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.915 4.908 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.411 4.144 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.802 5.709 -4.434 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.211 5.209 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.709 3.873 -6.488 1.00 0.00 H new ATOM 69 N ILE A 6 -1.651 2.431 -2.435 1.00 0.00 N ATOM 70 CA ILE A 6 -1.506 0.988 -2.348 1.00 0.00 C ATOM 71 C ILE A 6 -2.890 0.337 -2.381 1.00 0.00 C ATOM 72 O ILE A 6 -3.718 0.587 -1.505 1.00 0.00 O ATOM 73 CB ILE A 6 -0.676 0.606 -1.121 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.816 0.576 -1.455 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.156 -0.718 -0.524 1.00 0.00 C ATOM 76 CD1 ILE A 6 1.630 1.336 -0.405 1.00 0.00 C ATOM 0 H ILE A 6 -2.253 2.843 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.955 0.608 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.820 1.373 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.159 -0.457 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.981 1.018 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.549 -0.966 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.200 -0.625 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.062 -1.508 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.687 1.299 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.301 2.375 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.482 0.877 0.572 1.00 0.00 H new ATOM 87 N VAL A 7 -3.100 -0.483 -3.400 1.00 0.00 N ATOM 88 CA VAL A 7 -4.370 -1.171 -3.558 1.00 0.00 C ATOM 89 C VAL A 7 -4.142 -2.681 -3.471 1.00 0.00 C ATOM 90 O VAL A 7 -3.160 -3.196 -4.005 1.00 0.00 O ATOM 91 CB VAL A 7 -5.038 -0.742 -4.866 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.264 -1.269 -6.075 1.00 0.00 C ATOM 93 CG2 VAL A 7 -6.498 -1.196 -4.910 1.00 0.00 C ATOM 0 H VAL A 7 -2.412 -0.687 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.054 -0.899 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.024 0.347 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.760 -0.950 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.248 -0.875 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.232 -2.358 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.950 -0.878 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.544 -2.282 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.043 -0.751 -4.077 1.00 0.00 H new ATOM 103 N VAL A 8 -5.064 -3.349 -2.793 1.00 0.00 N ATOM 104 CA VAL A 8 -4.975 -4.790 -2.628 1.00 0.00 C ATOM 105 C VAL A 8 -6.366 -5.405 -2.801 1.00 0.00 C ATOM 106 O VAL A 8 -7.237 -5.226 -1.953 1.00 0.00 O ATOM 107 CB VAL A 8 -4.337 -5.124 -1.278 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.266 -6.638 -1.066 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.951 -4.488 -1.155 1.00 0.00 C ATOM 0 H VAL A 8 -5.877 -2.919 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.330 -5.223 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.969 -4.705 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.809 -6.849 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.272 -7.056 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.667 -7.088 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.519 -4.741 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.306 -4.865 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.039 -3.405 -1.242 1.00 0.00 H new ATOM 119 N ASN A 9 -6.528 -6.119 -3.906 1.00 0.00 N ATOM 120 CA ASN A 9 -7.798 -6.761 -4.200 1.00 0.00 C ATOM 121 C ASN A 9 -7.572 -8.261 -4.394 1.00 0.00 C ATOM 122 O ASN A 9 -6.967 -8.680 -5.380 1.00 0.00 O ATOM 123 CB ASN A 9 -8.411 -6.206 -5.488 1.00 0.00 C ATOM 124 CG ASN A 9 -7.399 -6.242 -6.636 1.00 0.00 C ATOM 125 OD1 ASN A 9 -6.267 -6.669 -6.487 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.871 -5.769 -7.786 1.00 0.00 N ATOM 0 H ASN A 9 -5.802 -6.267 -4.607 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.474 -6.569 -3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.292 -6.789 -5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.745 -5.181 -5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.274 -5.749 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.830 -5.426 -7.841 1.00 0.00 H new ATOM 132 N GLY A 10 -8.071 -9.031 -3.437 1.00 0.00 N ATOM 133 CA GLY A 10 -7.930 -10.476 -3.490 1.00 0.00 C ATOM 134 C GLY A 10 -6.887 -10.963 -2.482 1.00 0.00 C ATOM 135 O GLY A 10 -6.199 -11.953 -2.725 1.00 0.00 O ATOM 0 H GLY A 10 -8.573 -8.681 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.891 -10.947 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.639 -10.780 -4.495 1.00 0.00 H new ATOM 139 N ARG A 11 -6.803 -10.245 -1.371 1.00 0.00 N ATOM 140 CA ARG A 11 -5.856 -10.591 -0.326 1.00 0.00 C ATOM 141 C ARG A 11 -4.621 -11.262 -0.930 1.00 0.00 C ATOM 142 O ARG A 11 -4.292 -12.395 -0.580 1.00 0.00 O ATOM 143 CB ARG A 11 -6.488 -11.532 0.701 1.00 0.00 C ATOM 144 CG ARG A 11 -6.909 -12.852 0.050 1.00 0.00 C ATOM 145 CD ARG A 11 -8.001 -13.544 0.868 1.00 0.00 C ATOM 146 NE ARG A 11 -8.012 -14.994 0.574 1.00 0.00 N ATOM 147 CZ ARG A 11 -7.269 -15.906 1.237 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.448 -15.523 2.238 1.00 0.00 N ATOM 149 NH2 ARG A 11 -7.356 -17.177 0.891 1.00 0.00 N ATOM 0 H ARG A 11 -7.376 -9.425 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.564 -9.668 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.778 -11.729 1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.356 -11.052 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.271 -12.664 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.044 -13.510 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.828 -13.382 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.973 -13.110 0.633 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.619 -15.325 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.386 -14.539 2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.890 -16.218 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.978 -17.458 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.801 -17.878 1.382 1.00 0.00 H new ATOM 159 N GLU A 12 -3.971 -10.536 -1.827 1.00 0.00 N ATOM 160 CA GLU A 12 -2.780 -11.047 -2.484 1.00 0.00 C ATOM 161 C GLU A 12 -1.552 -10.241 -2.057 1.00 0.00 C ATOM 162 O GLU A 12 -1.518 -9.022 -2.215 1.00 0.00 O ATOM 163 CB GLU A 12 -2.942 -11.033 -4.005 1.00 0.00 C ATOM 164 CG GLU A 12 -3.008 -9.599 -4.536 1.00 0.00 C ATOM 165 CD GLU A 12 -1.723 -9.231 -5.281 1.00 0.00 C ATOM 166 OE1 GLU A 12 -0.742 -8.806 -4.652 1.00 0.00 O ATOM 167 OE2 GLU A 12 -1.767 -9.401 -6.559 1.00 0.00 O ATOM 0 H GLU A 12 -4.247 -9.597 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.637 -12.083 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.107 -11.558 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.849 -11.570 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.863 -9.494 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.163 -8.907 -3.708 1.00 0.00 H new ATOM 173 N ALA A 13 -0.571 -10.956 -1.523 1.00 0.00 N ATOM 174 CA ALA A 13 0.657 -10.322 -1.072 1.00 0.00 C ATOM 175 C ALA A 13 1.824 -11.294 -1.256 1.00 0.00 C ATOM 176 O ALA A 13 1.656 -12.505 -1.121 1.00 0.00 O ATOM 177 CB ALA A 13 0.495 -9.873 0.381 1.00 0.00 C ATOM 0 H ALA A 13 -0.602 -11.967 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 13 0.872 -9.433 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.416 -9.398 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.328 -9.162 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.282 -10.739 1.008 1.00 0.00 H new ATOM 183 N GLY A 14 2.982 -10.727 -1.559 1.00 0.00 N ATOM 184 CA GLY A 14 4.177 -11.528 -1.762 1.00 0.00 C ATOM 185 C GLY A 14 5.425 -10.644 -1.829 1.00 0.00 C ATOM 186 O GLY A 14 6.048 -10.522 -2.883 1.00 0.00 O ATOM 0 H GLY A 14 3.118 -9.722 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.280 -12.247 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.083 -12.101 -2.685 1.00 0.00 H new ATOM 190 N SER A 15 5.753 -10.051 -0.690 1.00 0.00 N ATOM 191 CA SER A 15 6.915 -9.183 -0.607 1.00 0.00 C ATOM 192 C SER A 15 7.474 -9.194 0.817 1.00 0.00 C ATOM 193 O SER A 15 6.942 -9.875 1.692 1.00 0.00 O ATOM 194 CB SER A 15 6.566 -7.754 -1.029 1.00 0.00 C ATOM 195 OG SER A 15 5.324 -7.323 -0.479 1.00 0.00 O ATOM 0 H SER A 15 5.234 -10.155 0.182 1.00 0.00 H new ATOM 0 HA SER A 15 7.674 -9.560 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.358 -7.078 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.520 -7.698 -2.117 1.00 0.00 H new ATOM 0 HG SER A 15 5.479 -6.912 0.397 1.00 0.00 H new ATOM 200 N LYS A 16 8.541 -8.430 1.005 1.00 0.00 N ATOM 201 CA LYS A 16 9.179 -8.344 2.308 1.00 0.00 C ATOM 202 C LYS A 16 8.500 -7.247 3.131 1.00 0.00 C ATOM 203 O LYS A 16 9.041 -6.800 4.141 1.00 0.00 O ATOM 204 CB LYS A 16 10.689 -8.151 2.154 1.00 0.00 C ATOM 205 CG LYS A 16 11.365 -9.450 1.713 1.00 0.00 C ATOM 206 CD LYS A 16 11.899 -9.334 0.284 1.00 0.00 C ATOM 207 CE LYS A 16 13.424 -9.217 0.276 1.00 0.00 C ATOM 208 NZ LYS A 16 13.861 -8.209 -0.716 1.00 0.00 N ATOM 0 H LYS A 16 8.979 -7.866 0.277 1.00 0.00 H new ATOM 0 HA LYS A 16 9.055 -9.278 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.886 -7.367 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.115 -7.818 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.184 -9.687 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.653 -10.273 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.595 -10.207 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.461 -8.462 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.778 -8.937 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.868 -10.184 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.899 -8.142 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.539 -8.492 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.453 -7.284 -0.474 1.00 0.00 H new ATOM 217 N SER A 17 7.326 -6.845 2.668 1.00 0.00 N ATOM 218 CA SER A 17 6.567 -5.810 3.350 1.00 0.00 C ATOM 219 C SER A 17 5.771 -6.419 4.505 1.00 0.00 C ATOM 220 O SER A 17 4.958 -5.739 5.130 1.00 0.00 O ATOM 221 CB SER A 17 5.629 -5.087 2.381 1.00 0.00 C ATOM 222 OG SER A 17 4.433 -5.826 2.145 1.00 0.00 O ATOM 0 H SER A 17 6.881 -7.217 1.829 1.00 0.00 H new ATOM 0 HA SER A 17 7.269 -5.078 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.376 -4.107 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.144 -4.919 1.435 1.00 0.00 H new ATOM 0 HG SER A 17 3.959 -5.445 1.376 1.00 0.00 H new ATOM 227 N LYS A 18 6.033 -7.693 4.756 1.00 0.00 N ATOM 228 CA LYS A 18 5.350 -8.401 5.826 1.00 0.00 C ATOM 229 C LYS A 18 6.171 -8.287 7.112 1.00 0.00 C ATOM 230 O LYS A 18 5.733 -8.727 8.173 1.00 0.00 O ATOM 231 CB LYS A 18 5.055 -9.844 5.410 1.00 0.00 C ATOM 232 CG LYS A 18 3.563 -10.043 5.140 1.00 0.00 C ATOM 233 CD LYS A 18 3.299 -11.405 4.494 1.00 0.00 C ATOM 234 CE LYS A 18 2.329 -11.275 3.317 1.00 0.00 C ATOM 235 NZ LYS A 18 2.892 -11.918 2.109 1.00 0.00 N ATOM 0 H LYS A 18 6.709 -8.254 4.237 1.00 0.00 H new ATOM 0 HA LYS A 18 4.380 -7.946 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.626 -10.092 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.380 -10.526 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.007 -9.966 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.199 -9.250 4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.239 -11.836 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.887 -12.090 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.375 -11.737 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.130 -10.222 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.182 -11.911 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.736 -11.396 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.154 -12.900 2.329 1.00 0.00 H new ATOM 244 N GLY A 19 7.348 -7.694 6.973 1.00 0.00 N ATOM 245 CA GLY A 19 8.234 -7.516 8.111 1.00 0.00 C ATOM 246 C GLY A 19 7.883 -6.245 8.886 1.00 0.00 C ATOM 247 O GLY A 19 6.724 -6.026 9.235 1.00 0.00 O ATOM 0 H GLY A 19 7.708 -7.331 6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.162 -8.380 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.267 -7.463 7.767 1.00 0.00 H new ATOM 251 N CYS A 20 8.906 -5.439 9.133 1.00 0.00 N ATOM 252 CA CYS A 20 8.720 -4.195 9.861 1.00 0.00 C ATOM 253 C CYS A 20 9.142 -3.039 8.952 1.00 0.00 C ATOM 254 O CYS A 20 9.755 -3.258 7.908 1.00 0.00 O ATOM 255 CB CYS A 20 9.491 -4.192 11.183 1.00 0.00 C ATOM 256 SG CYS A 20 8.838 -5.493 12.290 1.00 0.00 S ATOM 0 H CYS A 20 9.866 -5.623 8.842 1.00 0.00 H new ATOM 0 HA CYS A 20 7.670 -4.081 10.129 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.551 -4.361 10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.403 -3.217 11.663 1.00 0.00 H new ATOM 0 HG CYS A 20 7.598 -5.739 11.987 1.00 0.00 H new ATOM 261 N ALA A 21 8.795 -1.835 9.381 1.00 0.00 N ATOM 262 CA ALA A 21 9.131 -0.644 8.618 1.00 0.00 C ATOM 263 C ALA A 21 10.649 -0.461 8.606 1.00 0.00 C ATOM 264 O ALA A 21 11.239 -0.200 7.559 1.00 0.00 O ATOM 265 CB ALA A 21 8.403 0.564 9.211 1.00 0.00 C ATOM 0 H ALA A 21 8.285 -1.658 10.246 1.00 0.00 H new ATOM 0 HA ALA A 21 8.804 -0.747 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.655 1.457 8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.327 0.397 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.708 0.699 10.249 1.00 0.00 H new ATOM 271 N LEU A 22 11.240 -0.605 9.784 1.00 0.00 N ATOM 272 CA LEU A 22 12.679 -0.459 9.922 1.00 0.00 C ATOM 273 C LEU A 22 13.377 -1.582 9.154 1.00 0.00 C ATOM 274 O LEU A 22 14.156 -1.322 8.238 1.00 0.00 O ATOM 275 CB LEU A 22 13.071 -0.389 11.400 1.00 0.00 C ATOM 276 CG LEU A 22 14.221 0.559 11.745 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.549 0.030 11.202 1.00 0.00 C ATOM 278 CD2 LEU A 22 13.926 1.978 11.256 1.00 0.00 C ATOM 0 H LEU A 22 10.748 -0.821 10.651 1.00 0.00 H new ATOM 0 HA LEU A 22 13.010 0.482 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.194 -0.089 11.974 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.341 -1.392 11.732 1.00 0.00 H new ATOM 0 HG LEU A 22 14.313 0.605 12.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.350 0.723 11.461 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.758 -0.946 11.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.487 -0.064 10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.759 2.632 11.514 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.792 1.970 10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.016 2.345 11.731 1.00 0.00 H new ATOM 289 N CYS A 23 13.073 -2.808 9.554 1.00 0.00 N ATOM 290 CA CYS A 23 13.663 -3.972 8.914 1.00 0.00 C ATOM 291 C CYS A 23 12.529 -4.880 8.430 1.00 0.00 C ATOM 292 O CYS A 23 11.568 -5.121 9.159 1.00 0.00 O ATOM 293 CB CYS A 23 14.621 -4.709 9.852 1.00 0.00 C ATOM 294 SG CYS A 23 13.715 -5.321 11.319 1.00 0.00 S ATOM 0 H CYS A 23 12.426 -3.021 10.313 1.00 0.00 H new ATOM 0 HA CYS A 23 14.264 -3.655 8.062 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.086 -5.544 9.327 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.424 -4.041 10.163 1.00 0.00 H new ATOM 0 HG CYS A 23 12.457 -5.463 11.024 1.00 0.00 H new ATOM 299 N GLY A 24 12.679 -5.356 7.202 1.00 0.00 N ATOM 300 CA GLY A 24 11.680 -6.231 6.612 1.00 0.00 C ATOM 301 C GLY A 24 12.259 -7.621 6.344 1.00 0.00 C ATOM 302 O GLY A 24 12.286 -8.077 5.203 1.00 0.00 O ATOM 0 H GLY A 24 13.477 -5.152 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.823 -6.313 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.317 -5.798 5.680 1.00 0.00 H new ATOM 306 N ALA A 25 12.708 -8.257 7.417 1.00 0.00 N ATOM 307 CA ALA A 25 13.285 -9.587 7.312 1.00 0.00 C ATOM 308 C ALA A 25 12.301 -10.610 7.884 1.00 0.00 C ATOM 309 O ALA A 25 12.432 -11.808 7.634 1.00 0.00 O ATOM 310 CB ALA A 25 14.637 -9.615 8.027 1.00 0.00 C ATOM 0 H ALA A 25 12.684 -7.876 8.363 1.00 0.00 H new ATOM 0 HA ALA A 25 13.463 -9.848 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.070 -10.612 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.308 -8.891 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.498 -9.362 9.078 1.00 0.00 H new ATOM 316 N THR A 26 11.339 -10.103 8.639 1.00 0.00 N ATOM 317 CA THR A 26 10.335 -10.957 9.248 1.00 0.00 C ATOM 318 C THR A 26 9.094 -11.039 8.358 1.00 0.00 C ATOM 319 O THR A 26 8.932 -10.240 7.437 1.00 0.00 O ATOM 320 CB THR A 26 10.042 -10.419 10.650 1.00 0.00 C ATOM 321 OG1 THR A 26 9.422 -9.157 10.415 1.00 0.00 O ATOM 322 CG2 THR A 26 11.317 -10.070 11.422 1.00 0.00 C ATOM 0 H THR A 26 11.233 -9.109 8.843 1.00 0.00 H new ATOM 0 HA THR A 26 10.695 -11.981 9.346 1.00 0.00 H new ATOM 0 HB THR A 26 9.470 -11.158 11.210 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.197 -8.739 11.272 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.052 -9.693 12.410 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.934 -10.962 11.527 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.873 -9.306 10.879 1.00 0.00 H new ATOM 330 N TRP A 27 8.249 -12.014 8.662 1.00 0.00 N ATOM 331 CA TRP A 27 7.028 -12.211 7.900 1.00 0.00 C ATOM 332 C TRP A 27 5.887 -12.458 8.891 1.00 0.00 C ATOM 333 O TRP A 27 6.101 -13.031 9.958 1.00 0.00 O ATOM 334 CB TRP A 27 7.192 -13.342 6.884 1.00 0.00 C ATOM 335 CG TRP A 27 7.692 -14.655 7.489 1.00 0.00 C ATOM 336 CD1 TRP A 27 6.975 -15.606 8.103 1.00 0.00 C ATOM 337 CD2 TRP A 27 9.056 -15.126 7.514 1.00 0.00 C ATOM 338 NE1 TRP A 27 7.774 -16.652 8.520 1.00 0.00 N ATOM 339 CE2 TRP A 27 9.079 -16.350 8.151 1.00 0.00 C ATOM 340 CE3 TRP A 27 10.232 -14.537 7.016 1.00 0.00 C ATOM 341 CZ2 TRP A 27 10.252 -17.090 8.347 1.00 0.00 C ATOM 342 CZ3 TRP A 27 11.395 -15.288 7.221 1.00 0.00 C ATOM 343 CH2 TRP A 27 11.435 -16.522 7.858 1.00 0.00 C ATOM 0 H TRP A 27 8.386 -12.676 9.426 1.00 0.00 H new ATOM 0 HA TRP A 27 6.793 -11.324 7.312 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.234 -13.520 6.397 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.889 -13.022 6.109 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.906 -15.560 8.253 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.463 -17.492 9.009 1.00 0.00 H new ATOM 0 HE3 TRP A 27 10.237 -13.580 6.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 10.245 -18.047 8.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 12.327 -14.880 6.859 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.375 -17.041 7.976 1.00 0.00 H new ATOM 353 N GLY A 28 4.702 -12.013 8.502 1.00 0.00 N ATOM 354 CA GLY A 28 3.528 -12.177 9.342 1.00 0.00 C ATOM 355 C GLY A 28 2.268 -12.361 8.494 1.00 0.00 C ATOM 356 O GLY A 28 1.621 -11.384 8.119 1.00 0.00 O ATOM 0 H GLY A 28 4.529 -11.539 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.661 -13.040 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.413 -11.305 9.986 1.00 0.00 H new ATOM 360 N ASP A 29 1.957 -13.618 8.218 1.00 0.00 N ATOM 361 CA ASP A 29 0.786 -13.942 7.421 1.00 0.00 C ATOM 362 C ASP A 29 -0.476 -13.583 8.208 1.00 0.00 C ATOM 363 O ASP A 29 -1.336 -12.857 7.711 1.00 0.00 O ATOM 364 CB ASP A 29 0.734 -15.436 7.099 1.00 0.00 C ATOM 365 CG ASP A 29 1.228 -16.356 8.218 1.00 0.00 C ATOM 366 OD1 ASP A 29 1.315 -15.950 9.386 1.00 0.00 O ATOM 367 OD2 ASP A 29 1.534 -17.552 7.845 1.00 0.00 O ATOM 0 H ASP A 29 2.496 -14.425 8.532 1.00 0.00 H new ATOM 0 HA ASP A 29 0.844 -13.376 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.294 -15.704 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.332 -15.621 6.206 1.00 0.00 H new ATOM 372 N TYR A 30 -0.546 -14.109 9.422 1.00 0.00 N ATOM 373 CA TYR A 30 -1.689 -13.853 10.283 1.00 0.00 C ATOM 374 C TYR A 30 -1.849 -12.355 10.552 1.00 0.00 C ATOM 375 O TYR A 30 -2.931 -11.900 10.918 1.00 0.00 O ATOM 376 CB TYR A 30 -1.390 -14.567 11.603 1.00 0.00 C ATOM 377 CG TYR A 30 -1.001 -16.038 11.441 1.00 0.00 C ATOM 378 CD1 TYR A 30 -1.759 -16.868 10.640 1.00 0.00 C ATOM 379 CD2 TYR A 30 0.108 -16.534 12.095 1.00 0.00 C ATOM 380 CE1 TYR A 30 -1.392 -18.252 10.487 1.00 0.00 C ATOM 381 CE2 TYR A 30 0.474 -17.918 11.943 1.00 0.00 C ATOM 382 CZ TYR A 30 -0.294 -18.710 11.146 1.00 0.00 C ATOM 383 OH TYR A 30 0.052 -20.017 11.003 1.00 0.00 O ATOM 0 H TYR A 30 0.169 -14.711 9.830 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.608 -14.205 9.815 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.582 -14.042 12.113 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.268 -14.503 12.246 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.627 -16.480 10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.701 -15.884 12.721 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.976 -18.912 9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.339 -18.319 12.450 1.00 0.00 H new ATOM 0 HH TYR A 30 0.857 -20.202 11.530 1.00 0.00 H new ATOM 392 N HIS A 31 -0.755 -11.632 10.360 1.00 0.00 N ATOM 393 CA HIS A 31 -0.761 -10.196 10.576 1.00 0.00 C ATOM 394 C HIS A 31 -1.112 -9.481 9.270 1.00 0.00 C ATOM 395 O HIS A 31 -1.126 -10.097 8.205 1.00 0.00 O ATOM 396 CB HIS A 31 0.570 -9.730 11.168 1.00 0.00 C ATOM 397 CG HIS A 31 1.042 -10.555 12.342 1.00 0.00 C ATOM 398 ND1 HIS A 31 0.602 -10.339 13.636 1.00 0.00 N ATOM 399 CD2 HIS A 31 1.920 -11.598 12.403 1.00 0.00 C ATOM 400 CE1 HIS A 31 1.195 -11.217 14.432 1.00 0.00 C ATOM 401 NE2 HIS A 31 2.011 -11.995 13.666 1.00 0.00 N ATOM 0 H HIS A 31 0.141 -12.014 10.057 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.527 -9.938 11.307 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.332 -9.756 10.389 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.472 -8.691 11.483 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.450 -12.027 11.566 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.056 -11.301 15.500 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.596 -12.758 14.008 1.00 0.00 H new ATOM 408 N ALA A 32 -1.385 -8.191 9.393 1.00 0.00 N ATOM 409 CA ALA A 32 -1.735 -7.384 8.236 1.00 0.00 C ATOM 410 C ALA A 32 -0.724 -6.245 8.090 1.00 0.00 C ATOM 411 O ALA A 32 -0.084 -5.849 9.062 1.00 0.00 O ATOM 412 CB ALA A 32 -3.170 -6.876 8.382 1.00 0.00 C ATOM 0 H ALA A 32 -1.371 -7.683 10.278 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.693 -7.981 7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.432 -6.271 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.851 -7.724 8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.251 -6.270 9.285 1.00 0.00 H new ATOM 418 N ASP A 33 -0.613 -5.748 6.866 1.00 0.00 N ATOM 419 CA ASP A 33 0.308 -4.663 6.580 1.00 0.00 C ATOM 420 C ASP A 33 -0.444 -3.536 5.868 1.00 0.00 C ATOM 421 O ASP A 33 -1.240 -3.790 4.966 1.00 0.00 O ATOM 422 CB ASP A 33 1.441 -5.128 5.663 1.00 0.00 C ATOM 423 CG ASP A 33 0.988 -5.806 4.369 1.00 0.00 C ATOM 424 OD1 ASP A 33 0.657 -5.138 3.379 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.983 -7.096 4.403 1.00 0.00 O ATOM 0 H ASP A 33 -1.146 -6.078 6.062 1.00 0.00 H new ATOM 0 HA ASP A 33 0.728 -4.320 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.058 -4.267 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.075 -5.821 6.216 1.00 0.00 H new ATOM 430 N PHE A 34 -0.164 -2.316 6.300 1.00 0.00 N ATOM 431 CA PHE A 34 -0.804 -1.149 5.716 1.00 0.00 C ATOM 432 C PHE A 34 0.020 -0.599 4.549 1.00 0.00 C ATOM 433 O PHE A 34 1.074 -1.141 4.219 1.00 0.00 O ATOM 434 CB PHE A 34 -0.885 -0.087 6.813 1.00 0.00 C ATOM 435 CG PHE A 34 -1.510 -0.585 8.117 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.171 -1.773 8.143 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.403 0.159 9.251 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.751 -2.236 9.355 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.983 -0.304 10.461 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.645 -1.491 10.488 1.00 0.00 C ATOM 0 H PHE A 34 0.498 -2.110 7.048 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.790 -1.416 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.119 0.282 7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.465 0.758 6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.255 -2.364 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.877 1.102 9.231 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.276 -3.180 9.376 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.898 0.287 11.361 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.087 -1.842 11.409 1.00 0.00 H new ATOM 449 N LEU A 35 -0.493 0.469 3.956 1.00 0.00 N ATOM 450 CA LEU A 35 0.182 1.099 2.834 1.00 0.00 C ATOM 451 C LEU A 35 1.649 1.338 3.196 1.00 0.00 C ATOM 452 O LEU A 35 2.498 1.457 2.313 1.00 0.00 O ATOM 453 CB LEU A 35 -0.561 2.366 2.405 1.00 0.00 C ATOM 454 CG LEU A 35 -2.087 2.273 2.380 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.705 3.552 1.812 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.548 1.028 1.620 1.00 0.00 C ATOM 0 H LEU A 35 -1.368 0.914 4.231 1.00 0.00 H new ATOM 0 HA LEU A 35 0.171 0.442 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.277 3.175 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.218 2.645 1.409 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.440 2.173 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.791 3.459 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.417 4.401 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.348 3.708 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.637 0.986 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.184 1.073 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.152 0.137 2.107 1.00 0.00 H new ATOM 467 N GLY A 36 1.902 1.402 4.494 1.00 0.00 N ATOM 468 CA GLY A 36 3.252 1.624 4.983 1.00 0.00 C ATOM 469 C GLY A 36 4.238 0.649 4.336 1.00 0.00 C ATOM 470 O GLY A 36 5.436 0.922 4.274 1.00 0.00 O ATOM 0 H GLY A 36 1.195 1.304 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.556 2.649 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.274 1.504 6.066 1.00 0.00 H new ATOM 474 N GLU A 37 3.697 -0.467 3.870 1.00 0.00 N ATOM 475 CA GLU A 37 4.513 -1.484 3.230 1.00 0.00 C ATOM 476 C GLU A 37 5.363 -2.215 4.271 1.00 0.00 C ATOM 477 O GLU A 37 6.482 -2.635 3.980 1.00 0.00 O ATOM 478 CB GLU A 37 5.392 -0.874 2.136 1.00 0.00 C ATOM 479 CG GLU A 37 5.738 -1.912 1.068 1.00 0.00 C ATOM 480 CD GLU A 37 4.475 -2.585 0.527 1.00 0.00 C ATOM 481 OE1 GLU A 37 3.463 -1.907 0.292 1.00 0.00 O ATOM 482 OE2 GLU A 37 4.568 -3.860 0.352 1.00 0.00 O ATOM 0 H GLU A 37 2.703 -0.689 3.923 1.00 0.00 H new ATOM 0 HA GLU A 37 3.850 -2.208 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.874 -0.032 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.308 -0.482 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.277 -1.432 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.403 -2.665 1.490 1.00 0.00 H new ATOM 488 N ASP A 38 4.800 -2.345 5.463 1.00 0.00 N ATOM 489 CA ASP A 38 5.491 -3.019 6.549 1.00 0.00 C ATOM 490 C ASP A 38 4.464 -3.675 7.473 1.00 0.00 C ATOM 491 O ASP A 38 3.261 -3.476 7.310 1.00 0.00 O ATOM 492 CB ASP A 38 6.309 -2.027 7.380 1.00 0.00 C ATOM 493 CG ASP A 38 5.826 -0.576 7.315 1.00 0.00 C ATOM 494 OD1 ASP A 38 5.022 -0.134 8.148 1.00 0.00 O ATOM 495 OD2 ASP A 38 6.318 0.118 6.346 1.00 0.00 O ATOM 0 H ASP A 38 3.872 -1.995 5.701 1.00 0.00 H new ATOM 0 HA ASP A 38 6.158 -3.763 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.298 -2.352 8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.346 -2.064 7.046 1.00 0.00 H new ATOM 500 N LEU A 39 4.975 -4.445 8.422 1.00 0.00 N ATOM 501 CA LEU A 39 4.118 -5.132 9.372 1.00 0.00 C ATOM 502 C LEU A 39 4.555 -4.780 10.796 1.00 0.00 C ATOM 503 O LEU A 39 5.680 -5.077 11.194 1.00 0.00 O ATOM 504 CB LEU A 39 4.100 -6.636 9.088 1.00 0.00 C ATOM 505 CG LEU A 39 2.740 -7.325 9.205 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.820 -8.780 8.741 1.00 0.00 C ATOM 507 CD2 LEU A 39 2.185 -7.207 10.627 1.00 0.00 C ATOM 0 H LEU A 39 5.973 -4.608 8.553 1.00 0.00 H new ATOM 0 HA LEU A 39 3.086 -4.798 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.482 -6.800 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.792 -7.123 9.775 1.00 0.00 H new ATOM 0 HG LEU A 39 2.041 -6.814 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.839 -9.246 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.139 -8.813 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.539 -9.320 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.217 -7.705 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.876 -7.677 11.327 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.066 -6.155 10.885 1.00 0.00 H new ATOM 518 N PHE A 40 3.642 -4.152 11.523 1.00 0.00 N ATOM 519 CA PHE A 40 3.920 -3.756 12.893 1.00 0.00 C ATOM 520 C PHE A 40 3.204 -4.676 13.884 1.00 0.00 C ATOM 521 O PHE A 40 3.604 -4.777 15.043 1.00 0.00 O ATOM 522 CB PHE A 40 3.389 -2.332 13.063 1.00 0.00 C ATOM 523 CG PHE A 40 2.656 -1.790 11.834 1.00 0.00 C ATOM 524 CD1 PHE A 40 1.369 -2.157 11.594 1.00 0.00 C ATOM 525 CD2 PHE A 40 3.292 -0.940 10.983 1.00 0.00 C ATOM 526 CE1 PHE A 40 0.689 -1.653 10.453 1.00 0.00 C ATOM 527 CE2 PHE A 40 2.612 -0.438 9.842 1.00 0.00 C ATOM 528 CZ PHE A 40 1.325 -0.804 9.602 1.00 0.00 C ATOM 0 H PHE A 40 2.710 -3.908 11.189 1.00 0.00 H new ATOM 0 HA PHE A 40 4.991 -3.817 13.089 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.712 -2.307 13.917 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.223 -1.670 13.297 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.864 -2.831 12.270 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.314 -0.647 11.175 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.333 -1.944 10.261 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.117 0.235 9.165 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.807 -0.420 8.735 1.00 0.00 H new ATOM 537 N PHE A 41 2.158 -5.324 13.392 1.00 0.00 N ATOM 538 CA PHE A 41 1.383 -6.232 14.222 1.00 0.00 C ATOM 539 C PHE A 41 2.247 -7.393 14.718 1.00 0.00 C ATOM 540 O PHE A 41 1.810 -8.185 15.552 1.00 0.00 O ATOM 541 CB PHE A 41 0.258 -6.787 13.346 1.00 0.00 C ATOM 542 CG PHE A 41 -1.146 -6.441 13.843 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.566 -5.147 13.849 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.976 -7.426 14.279 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.869 -4.825 14.311 1.00 0.00 C ATOM 546 CE2 PHE A 41 -3.280 -7.105 14.740 1.00 0.00 C ATOM 547 CZ PHE A 41 -3.699 -5.812 14.747 1.00 0.00 C ATOM 0 H PHE A 41 1.829 -5.239 12.430 1.00 0.00 H new ATOM 0 HA PHE A 41 0.997 -5.703 15.094 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.378 -6.404 12.333 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.356 -7.871 13.291 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.908 -4.364 13.502 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.643 -8.453 14.275 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.202 -3.798 14.317 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.939 -7.888 15.085 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.691 -5.568 15.099 1.00 0.00 H new ATOM 556 N CYS A 42 3.459 -7.458 14.186 1.00 0.00 N ATOM 557 CA CYS A 42 4.388 -8.508 14.566 1.00 0.00 C ATOM 558 C CYS A 42 5.165 -8.041 15.797 1.00 0.00 C ATOM 559 O CYS A 42 5.231 -8.751 16.800 1.00 0.00 O ATOM 560 CB CYS A 42 5.320 -8.883 13.410 1.00 0.00 C ATOM 561 SG CYS A 42 6.094 -7.376 12.717 1.00 0.00 S ATOM 0 H CYS A 42 3.819 -6.800 13.495 1.00 0.00 H new ATOM 0 HA CYS A 42 3.835 -9.415 14.811 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.091 -9.569 13.761 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.759 -9.404 12.634 1.00 0.00 H new ATOM 0 HG CYS A 42 7.348 -7.337 13.056 1.00 0.00 H new ATOM 566 N CYS A 43 5.733 -6.849 15.682 1.00 0.00 N ATOM 567 CA CYS A 43 6.503 -6.279 16.775 1.00 0.00 C ATOM 568 C CYS A 43 5.717 -5.100 17.352 1.00 0.00 C ATOM 569 O CYS A 43 5.366 -5.100 18.530 1.00 0.00 O ATOM 570 CB CYS A 43 7.904 -5.864 16.323 1.00 0.00 C ATOM 571 SG CYS A 43 8.741 -7.274 15.508 1.00 0.00 S ATOM 0 H CYS A 43 5.675 -6.263 14.849 1.00 0.00 H new ATOM 0 HA CYS A 43 6.651 -7.031 17.550 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.838 -5.022 15.634 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.488 -5.530 17.181 1.00 0.00 H new ATOM 0 HG CYS A 43 8.954 -6.989 14.258 1.00 0.00 H new ATOM 576 N ASP A 44 5.466 -4.122 16.494 1.00 0.00 N ATOM 577 CA ASP A 44 4.728 -2.939 16.903 1.00 0.00 C ATOM 578 C ASP A 44 5.558 -2.153 17.921 1.00 0.00 C ATOM 579 O ASP A 44 5.019 -1.340 18.671 1.00 0.00 O ATOM 580 CB ASP A 44 3.402 -3.318 17.567 1.00 0.00 C ATOM 581 CG ASP A 44 2.487 -2.140 17.905 1.00 0.00 C ATOM 582 OD1 ASP A 44 2.261 -1.247 17.073 1.00 0.00 O ATOM 583 OD2 ASP A 44 1.991 -2.158 19.095 1.00 0.00 O ATOM 0 H ASP A 44 5.761 -4.125 15.517 1.00 0.00 H new ATOM 0 HA ASP A 44 4.528 -2.342 16.013 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.864 -3.998 16.907 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.616 -3.867 18.484 1.00 0.00 H new ATOM 588 N ILE A 45 6.854 -2.423 17.914 1.00 0.00 N ATOM 589 CA ILE A 45 7.764 -1.751 18.827 1.00 0.00 C ATOM 590 C ILE A 45 8.554 -0.687 18.062 1.00 0.00 C ATOM 591 O ILE A 45 8.503 0.494 18.402 1.00 0.00 O ATOM 592 CB ILE A 45 8.646 -2.770 19.551 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.378 -2.122 20.728 1.00 0.00 C ATOM 594 CG2 ILE A 45 9.612 -3.449 18.578 1.00 0.00 C ATOM 595 CD1 ILE A 45 9.667 -3.149 21.825 1.00 0.00 C ATOM 0 H ILE A 45 7.297 -3.098 17.291 1.00 0.00 H new ATOM 0 HA ILE A 45 7.207 -1.234 19.608 1.00 0.00 H new ATOM 0 HB ILE A 45 8.003 -3.549 19.961 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.313 -1.681 20.382 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.774 -1.310 21.134 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.227 -4.168 19.119 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.045 -3.966 17.804 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.253 -2.697 18.118 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.188 -2.663 22.650 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.728 -3.570 22.186 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.291 -3.947 21.422 1.00 0.00 H new ATOM 606 N CYS A 46 9.266 -1.144 17.043 1.00 0.00 N ATOM 607 CA CYS A 46 10.066 -0.246 16.227 1.00 0.00 C ATOM 608 C CYS A 46 9.290 0.057 14.944 1.00 0.00 C ATOM 609 O CYS A 46 9.671 0.940 14.177 1.00 0.00 O ATOM 610 CB CYS A 46 11.449 -0.831 15.933 1.00 0.00 C ATOM 611 SG CYS A 46 11.281 -2.406 15.017 1.00 0.00 S ATOM 0 H CYS A 46 9.306 -2.124 16.763 1.00 0.00 H new ATOM 0 HA CYS A 46 10.244 0.682 16.770 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.036 -0.122 15.349 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.988 -0.999 16.866 1.00 0.00 H new ATOM 0 HG CYS A 46 12.461 -2.893 14.771 1.00 0.00 H new ATOM 616 N ALA A 47 8.214 -0.692 14.749 1.00 0.00 N ATOM 617 CA ALA A 47 7.381 -0.516 13.573 1.00 0.00 C ATOM 618 C ALA A 47 6.150 0.313 13.945 1.00 0.00 C ATOM 619 O ALA A 47 5.897 0.560 15.123 1.00 0.00 O ATOM 620 CB ALA A 47 7.011 -1.884 12.998 1.00 0.00 C ATOM 0 H ALA A 47 7.900 -1.423 15.387 1.00 0.00 H new ATOM 0 HA ALA A 47 7.922 0.026 12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.386 -1.751 12.115 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.919 -2.420 12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.464 -2.458 13.747 1.00 0.00 H new ATOM 626 N ALA A 48 5.418 0.719 12.918 1.00 0.00 N ATOM 627 CA ALA A 48 4.219 1.516 13.123 1.00 0.00 C ATOM 628 C ALA A 48 4.615 2.974 13.360 1.00 0.00 C ATOM 629 O ALA A 48 4.380 3.518 14.438 1.00 0.00 O ATOM 630 CB ALA A 48 3.413 0.935 14.286 1.00 0.00 C ATOM 0 H ALA A 48 5.631 0.512 11.942 1.00 0.00 H new ATOM 0 HA ALA A 48 3.583 1.487 12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.514 1.532 14.440 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.131 -0.092 14.056 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.019 0.951 15.192 1.00 0.00 H new ATOM 636 N GLU A 49 5.211 3.567 12.335 1.00 0.00 N ATOM 637 CA GLU A 49 5.641 4.952 12.418 1.00 0.00 C ATOM 638 C GLU A 49 4.490 5.890 12.045 1.00 0.00 C ATOM 639 O GLU A 49 3.730 5.607 11.120 1.00 0.00 O ATOM 640 CB GLU A 49 6.861 5.201 11.528 1.00 0.00 C ATOM 641 CG GLU A 49 6.493 5.081 10.048 1.00 0.00 C ATOM 642 CD GLU A 49 7.749 4.999 9.176 1.00 0.00 C ATOM 643 OE1 GLU A 49 7.670 4.569 8.017 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.834 5.403 9.745 1.00 0.00 O ATOM 0 H GLU A 49 5.406 3.113 11.443 1.00 0.00 H new ATOM 0 HA GLU A 49 5.934 5.160 13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.264 6.194 11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.645 4.484 11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.879 4.194 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.893 5.940 9.748 1.00 0.00 H new ATOM 650 N PHE A 50 4.398 6.984 12.785 1.00 0.00 N ATOM 651 CA PHE A 50 3.353 7.964 12.544 1.00 0.00 C ATOM 652 C PHE A 50 3.692 8.842 11.337 1.00 0.00 C ATOM 653 O PHE A 50 2.941 9.756 11.000 1.00 0.00 O ATOM 654 CB PHE A 50 3.269 8.845 13.793 1.00 0.00 C ATOM 655 CG PHE A 50 3.144 8.061 15.100 1.00 0.00 C ATOM 656 CD1 PHE A 50 2.277 7.018 15.188 1.00 0.00 C ATOM 657 CD2 PHE A 50 3.901 8.408 16.176 1.00 0.00 C ATOM 658 CE1 PHE A 50 2.161 6.289 16.401 1.00 0.00 C ATOM 659 CE2 PHE A 50 3.786 7.680 17.389 1.00 0.00 C ATOM 660 CZ PHE A 50 2.918 6.636 17.477 1.00 0.00 C ATOM 0 H PHE A 50 5.030 7.214 13.552 1.00 0.00 H new ATOM 0 HA PHE A 50 2.409 7.459 12.338 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.158 9.474 13.842 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.412 9.512 13.698 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.675 6.743 14.334 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.589 9.237 16.107 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.472 5.460 16.469 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.388 7.955 18.243 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.830 6.083 18.400 1.00 0.00 H new ATOM 669 N MET A 51 4.822 8.532 10.720 1.00 0.00 N ATOM 670 CA MET A 51 5.269 9.281 9.558 1.00 0.00 C ATOM 671 C MET A 51 4.272 9.151 8.405 1.00 0.00 C ATOM 672 O MET A 51 4.100 10.082 7.621 1.00 0.00 O ATOM 673 CB MET A 51 6.638 8.762 9.111 1.00 0.00 C ATOM 674 CG MET A 51 7.766 9.583 9.738 1.00 0.00 C ATOM 675 SD MET A 51 7.722 9.427 11.515 1.00 0.00 S ATOM 676 CE MET A 51 6.776 10.882 11.930 1.00 0.00 C ATOM 0 H MET A 51 5.442 7.773 11.002 1.00 0.00 H new ATOM 0 HA MET A 51 5.342 10.333 9.833 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.744 7.715 9.395 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.711 8.807 8.024 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.729 9.241 9.359 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.665 10.631 9.454 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.237 11.385 12.780 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.755 11.558 11.075 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.758 10.592 12.189 1.00 0.00 H new ATOM 684 N ASN A 52 3.643 7.987 8.338 1.00 0.00 N ATOM 685 CA ASN A 52 2.667 7.723 7.294 1.00 0.00 C ATOM 686 C ASN A 52 1.285 8.180 7.765 1.00 0.00 C ATOM 687 O ASN A 52 1.151 8.743 8.851 1.00 0.00 O ATOM 688 CB ASN A 52 2.588 6.227 6.979 1.00 0.00 C ATOM 689 CG ASN A 52 3.262 5.912 5.643 1.00 0.00 C ATOM 690 OD1 ASN A 52 4.252 5.203 5.569 1.00 0.00 O ATOM 691 ND2 ASN A 52 2.672 6.477 4.593 1.00 0.00 N ATOM 0 H ASN A 52 3.790 7.216 8.989 1.00 0.00 H new ATOM 0 HA ASN A 52 2.976 8.265 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.068 5.658 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.545 5.913 6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.046 6.327 3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.845 7.060 4.725 1.00 0.00 H new ATOM 697 N MET A 53 0.293 7.921 6.926 1.00 0.00 N ATOM 698 CA MET A 53 -1.073 8.299 7.243 1.00 0.00 C ATOM 699 C MET A 53 -1.795 7.173 7.987 1.00 0.00 C ATOM 700 O MET A 53 -1.557 5.996 7.721 1.00 0.00 O ATOM 701 CB MET A 53 -1.827 8.622 5.951 1.00 0.00 C ATOM 702 CG MET A 53 -2.132 10.117 5.854 1.00 0.00 C ATOM 703 SD MET A 53 -0.613 11.042 5.703 1.00 0.00 S ATOM 704 CE MET A 53 -0.431 11.615 7.384 1.00 0.00 C ATOM 0 H MET A 53 0.408 7.454 6.027 1.00 0.00 H new ATOM 0 HA MET A 53 -1.046 9.177 7.888 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.233 8.312 5.092 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.757 8.054 5.917 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.772 10.311 4.993 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.679 10.443 6.738 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.090 12.650 7.381 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.391 11.550 7.896 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.300 10.994 7.903 1.00 0.00 H new ATOM 712 N MET A 54 -2.662 7.575 8.905 1.00 0.00 N ATOM 713 CA MET A 54 -3.419 6.615 9.690 1.00 0.00 C ATOM 714 C MET A 54 -4.344 5.785 8.797 1.00 0.00 C ATOM 715 O MET A 54 -4.507 4.585 9.013 1.00 0.00 O ATOM 716 CB MET A 54 -4.252 7.355 10.739 1.00 0.00 C ATOM 717 CG MET A 54 -4.935 6.372 11.691 1.00 0.00 C ATOM 718 SD MET A 54 -4.136 6.414 13.287 1.00 0.00 S ATOM 719 CE MET A 54 -4.504 8.091 13.774 1.00 0.00 C ATOM 0 H MET A 54 -2.857 8.552 9.123 1.00 0.00 H new ATOM 0 HA MET A 54 -2.716 5.941 10.181 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.612 8.031 11.306 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.004 7.969 10.244 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.989 6.628 11.796 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.891 5.364 11.279 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.647 8.133 14.854 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.676 8.742 13.492 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.414 8.424 13.274 1.00 0.00 H new ATOM 727 N ASP A 55 -4.923 6.456 7.813 1.00 0.00 N ATOM 728 CA ASP A 55 -5.826 5.795 6.887 1.00 0.00 C ATOM 729 C ASP A 55 -5.197 4.481 6.418 1.00 0.00 C ATOM 730 O ASP A 55 -5.900 3.496 6.198 1.00 0.00 O ATOM 731 CB ASP A 55 -6.082 6.663 5.653 1.00 0.00 C ATOM 732 CG ASP A 55 -6.576 8.080 5.952 1.00 0.00 C ATOM 733 OD1 ASP A 55 -5.804 9.050 5.900 1.00 0.00 O ATOM 734 OD2 ASP A 55 -7.827 8.170 6.251 1.00 0.00 O ATOM 0 H ASP A 55 -4.784 7.451 7.637 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.769 5.617 7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.159 6.730 5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.817 6.163 5.022 1.00 0.00 H new ATOM 739 N GLU A 56 -3.880 4.509 6.277 1.00 0.00 N ATOM 740 CA GLU A 56 -3.149 3.334 5.838 1.00 0.00 C ATOM 741 C GLU A 56 -3.612 2.100 6.614 1.00 0.00 C ATOM 742 O GLU A 56 -3.663 1.000 6.067 1.00 0.00 O ATOM 743 CB GLU A 56 -1.640 3.539 5.986 1.00 0.00 C ATOM 744 CG GLU A 56 -1.199 3.344 7.438 1.00 0.00 C ATOM 745 CD GLU A 56 0.139 4.036 7.703 1.00 0.00 C ATOM 746 OE1 GLU A 56 0.263 4.790 8.679 1.00 0.00 O ATOM 747 OE2 GLU A 56 1.071 3.767 6.853 1.00 0.00 O ATOM 0 H GLU A 56 -3.300 5.328 6.459 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.359 3.175 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.109 2.836 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.371 4.541 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.959 3.745 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.111 2.279 7.655 1.00 0.00 H new ATOM 753 N ALA A 57 -3.939 2.324 7.879 1.00 0.00 N ATOM 754 CA ALA A 57 -4.396 1.244 8.737 1.00 0.00 C ATOM 755 C ALA A 57 -5.731 0.712 8.211 1.00 0.00 C ATOM 756 O ALA A 57 -5.912 -0.497 8.077 1.00 0.00 O ATOM 757 CB ALA A 57 -4.497 1.745 10.179 1.00 0.00 C ATOM 0 H ALA A 57 -3.896 3.238 8.330 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.684 0.419 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.840 0.935 10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.518 2.086 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.205 2.572 10.228 1.00 0.00 H new ATOM 763 N PHE A 58 -6.632 1.641 7.926 1.00 0.00 N ATOM 764 CA PHE A 58 -7.944 1.281 7.418 1.00 0.00 C ATOM 765 C PHE A 58 -7.836 0.221 6.319 1.00 0.00 C ATOM 766 O PHE A 58 -8.631 -0.715 6.274 1.00 0.00 O ATOM 767 CB PHE A 58 -8.559 2.551 6.826 1.00 0.00 C ATOM 768 CG PHE A 58 -9.951 2.881 7.370 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.864 1.889 7.545 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.274 4.166 7.676 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.156 2.195 8.051 1.00 0.00 C ATOM 772 CE2 PHE A 58 -11.565 4.471 8.181 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.479 3.480 8.357 1.00 0.00 C ATOM 0 H PHE A 58 -6.478 2.643 8.038 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.554 0.870 8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.894 3.391 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.620 2.442 5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.607 0.869 7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.549 4.954 7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.881 1.407 8.193 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.821 5.491 8.426 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.462 3.713 8.740 1.00 0.00 H new ATOM 782 N LYS A 59 -6.843 0.405 5.461 1.00 0.00 N ATOM 783 CA LYS A 59 -6.619 -0.523 4.366 1.00 0.00 C ATOM 784 C LYS A 59 -6.707 -1.957 4.893 1.00 0.00 C ATOM 785 O LYS A 59 -7.467 -2.769 4.368 1.00 0.00 O ATOM 786 CB LYS A 59 -5.301 -0.208 3.657 1.00 0.00 C ATOM 787 CG LYS A 59 -4.544 -1.492 3.309 1.00 0.00 C ATOM 788 CD LYS A 59 -5.283 -2.288 2.232 1.00 0.00 C ATOM 789 CE LYS A 59 -4.563 -2.189 0.886 1.00 0.00 C ATOM 790 NZ LYS A 59 -5.521 -1.863 -0.193 1.00 0.00 N ATOM 0 H LYS A 59 -6.185 1.183 5.502 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.395 -0.413 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.500 0.359 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.682 0.422 4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.542 -1.244 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.428 -2.104 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.356 -3.333 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.302 -1.913 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.789 -1.423 0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.064 -3.132 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.999 -1.568 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.095 -2.702 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.143 -1.089 0.117 1.00 0.00 H new ATOM 799 N HIS A 60 -5.917 -2.225 5.923 1.00 0.00 N ATOM 800 CA HIS A 60 -5.897 -3.546 6.527 1.00 0.00 C ATOM 801 C HIS A 60 -7.329 -3.999 6.821 1.00 0.00 C ATOM 802 O HIS A 60 -7.743 -5.077 6.397 1.00 0.00 O ATOM 803 CB HIS A 60 -5.002 -3.563 7.768 1.00 0.00 C ATOM 804 CG HIS A 60 -5.668 -4.135 8.996 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.210 -5.409 9.031 1.00 0.00 N ATOM 806 CD2 HIS A 60 -5.872 -3.596 10.232 1.00 0.00 C ATOM 807 CE1 HIS A 60 -6.715 -5.615 10.238 1.00 0.00 C ATOM 808 NE2 HIS A 60 -6.505 -4.490 10.981 1.00 0.00 N ATOM 0 H HIS A 60 -5.286 -1.549 6.354 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.464 -4.262 5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.106 -4.144 7.549 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.678 -2.545 7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.570 -2.609 10.548 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.207 -6.516 10.575 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.788 -4.358 11.952 1.00 0.00 H new ATOM 815 N THR A 61 -8.045 -3.152 7.546 1.00 0.00 N ATOM 816 CA THR A 61 -9.421 -3.451 7.902 1.00 0.00 C ATOM 817 C THR A 61 -10.275 -3.616 6.644 1.00 0.00 C ATOM 818 O THR A 61 -11.194 -4.432 6.614 1.00 0.00 O ATOM 819 CB THR A 61 -9.920 -2.345 8.834 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.389 -2.698 10.108 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.436 -2.388 9.037 1.00 0.00 C ATOM 0 H THR A 61 -7.698 -2.259 7.896 1.00 0.00 H new ATOM 0 HA THR A 61 -9.494 -4.401 8.432 1.00 0.00 H new ATOM 0 HB THR A 61 -9.636 -1.374 8.428 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.663 -2.032 10.773 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.736 -1.582 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.935 -2.267 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.718 -3.346 9.474 1.00 0.00 H new ATOM 829 N ALA A 62 -9.940 -2.826 5.633 1.00 0.00 N ATOM 830 CA ALA A 62 -10.665 -2.873 4.374 1.00 0.00 C ATOM 831 C ALA A 62 -10.579 -4.286 3.794 1.00 0.00 C ATOM 832 O ALA A 62 -11.601 -4.916 3.530 1.00 0.00 O ATOM 833 CB ALA A 62 -10.102 -1.817 3.422 1.00 0.00 C ATOM 0 H ALA A 62 -9.176 -2.150 5.661 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.719 -2.644 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.645 -1.852 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.213 -0.829 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.046 -2.017 3.241 1.00 0.00 H new ATOM 839 N ARG A 63 -9.349 -4.744 3.614 1.00 0.00 N ATOM 840 CA ARG A 63 -9.115 -6.071 3.071 1.00 0.00 C ATOM 841 C ARG A 63 -9.509 -7.139 4.093 1.00 0.00 C ATOM 842 O ARG A 63 -9.221 -8.320 3.904 1.00 0.00 O ATOM 843 CB ARG A 63 -7.647 -6.259 2.688 1.00 0.00 C ATOM 844 CG ARG A 63 -7.465 -7.489 1.796 1.00 0.00 C ATOM 845 CD ARG A 63 -6.432 -8.449 2.389 1.00 0.00 C ATOM 846 NE ARG A 63 -6.662 -8.606 3.843 1.00 0.00 N ATOM 847 CZ ARG A 63 -5.695 -8.915 4.733 1.00 0.00 C ATOM 848 NH1 ARG A 63 -4.423 -9.105 4.324 1.00 0.00 N ATOM 849 NH2 ARG A 63 -6.013 -9.031 6.009 1.00 0.00 N ATOM 0 H ARG A 63 -8.503 -4.219 3.835 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.728 -6.175 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.287 -5.372 2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.043 -6.367 3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.419 -8.003 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.148 -7.177 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.499 -9.418 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.426 -8.069 2.211 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.610 -8.472 4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.186 -9.015 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.698 -9.338 5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.977 -8.888 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.295 -9.264 6.695 1.00 0.00 H new ATOM 859 N HIS A 64 -10.163 -6.687 5.152 1.00 0.00 N ATOM 860 CA HIS A 64 -10.600 -7.590 6.204 1.00 0.00 C ATOM 861 C HIS A 64 -11.817 -8.384 5.726 1.00 0.00 C ATOM 862 O HIS A 64 -11.760 -9.608 5.618 1.00 0.00 O ATOM 863 CB HIS A 64 -10.864 -6.824 7.502 1.00 0.00 C ATOM 864 CG HIS A 64 -10.835 -7.687 8.741 1.00 0.00 C ATOM 865 ND1 HIS A 64 -10.752 -7.162 10.019 1.00 0.00 N ATOM 866 CD2 HIS A 64 -10.879 -9.042 8.884 1.00 0.00 C ATOM 867 CE1 HIS A 64 -10.746 -8.165 10.884 1.00 0.00 C ATOM 868 NE2 HIS A 64 -10.825 -9.330 10.178 1.00 0.00 N ATOM 0 H HIS A 64 -10.401 -5.707 5.305 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.808 -8.305 6.427 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.119 -6.035 7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.837 -6.337 7.433 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.946 -9.760 8.080 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.689 -8.076 11.959 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.840 -10.268 10.579 1.00 0.00 H new ATOM 875 N ASN A 65 -12.889 -7.655 5.453 1.00 0.00 N ATOM 876 CA ASN A 65 -14.118 -8.276 4.989 1.00 0.00 C ATOM 877 C ASN A 65 -14.409 -7.816 3.559 1.00 0.00 C ATOM 878 O ASN A 65 -14.491 -8.633 2.645 1.00 0.00 O ATOM 879 CB ASN A 65 -15.304 -7.873 5.867 1.00 0.00 C ATOM 880 CG ASN A 65 -15.027 -6.554 6.591 1.00 0.00 C ATOM 881 OD1 ASN A 65 -15.775 -5.538 6.170 1.00 0.00 O flip ATOM 882 ND2 ASN A 65 -14.190 -6.465 7.475 1.00 0.00 N flip ATOM 0 H ASN A 65 -12.932 -6.640 5.544 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.987 -9.357 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.199 -7.774 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.504 -8.658 6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.650 -7.285 7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.031 -5.570 7.939 1.00 0.00 H new ATOM 888 N VAL A 66 -14.559 -6.507 3.412 1.00 0.00 N ATOM 889 CA VAL A 66 -14.839 -5.928 2.110 1.00 0.00 C ATOM 890 C VAL A 66 -13.527 -5.480 1.462 1.00 0.00 C ATOM 891 O VAL A 66 -12.467 -6.033 1.752 1.00 0.00 O ATOM 892 CB VAL A 66 -15.855 -4.792 2.250 1.00 0.00 C ATOM 893 CG1 VAL A 66 -17.130 -5.280 2.941 1.00 0.00 C ATOM 894 CG2 VAL A 66 -15.248 -3.602 2.996 1.00 0.00 C ATOM 0 H VAL A 66 -14.492 -5.832 4.174 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.290 -6.670 1.451 1.00 0.00 H new ATOM 0 HB VAL A 66 -16.124 -4.457 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.836 -4.454 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.579 -6.080 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.885 -5.654 3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.991 -2.809 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.937 -3.917 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.383 -3.231 2.446 1.00 0.00 H new ATOM 904 N ASP A 67 -13.641 -4.481 0.599 1.00 0.00 N ATOM 905 CA ASP A 67 -12.477 -3.952 -0.091 1.00 0.00 C ATOM 906 C ASP A 67 -12.548 -2.424 -0.104 1.00 0.00 C ATOM 907 O ASP A 67 -13.577 -1.850 -0.460 1.00 0.00 O ATOM 908 CB ASP A 67 -12.430 -4.436 -1.542 1.00 0.00 C ATOM 909 CG ASP A 67 -13.332 -3.667 -2.510 1.00 0.00 C ATOM 910 OD1 ASP A 67 -14.521 -3.985 -2.664 1.00 0.00 O ATOM 911 OD2 ASP A 67 -12.760 -2.691 -3.129 1.00 0.00 O ATOM 0 H ASP A 67 -14.522 -4.024 0.362 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.587 -4.299 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.402 -4.371 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.710 -5.489 -1.567 1.00 0.00 H new ATOM 916 N GLU A 68 -11.442 -1.808 0.286 1.00 0.00 N ATOM 917 CA GLU A 68 -11.366 -0.358 0.323 1.00 0.00 C ATOM 918 C GLU A 68 -9.973 0.112 -0.100 1.00 0.00 C ATOM 919 O GLU A 68 -8.970 -0.496 0.268 1.00 0.00 O ATOM 920 CB GLU A 68 -11.724 0.175 1.712 1.00 0.00 C ATOM 921 CG GLU A 68 -12.448 1.519 1.614 1.00 0.00 C ATOM 922 CD GLU A 68 -13.527 1.483 0.529 1.00 0.00 C ATOM 923 OE1 GLU A 68 -14.625 0.957 0.763 1.00 0.00 O ATOM 924 OE2 GLU A 68 -13.190 2.027 -0.592 1.00 0.00 O ATOM 0 H GLU A 68 -10.591 -2.287 0.579 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.094 0.042 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.357 -0.546 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.817 0.289 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.901 1.763 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.729 2.308 1.391 1.00 0.00 H new ATOM 930 N LEU A 69 -9.956 1.190 -0.871 1.00 0.00 N ATOM 931 CA LEU A 69 -8.702 1.748 -1.349 1.00 0.00 C ATOM 932 C LEU A 69 -8.727 3.267 -1.176 1.00 0.00 C ATOM 933 O LEU A 69 -9.751 3.907 -1.413 1.00 0.00 O ATOM 934 CB LEU A 69 -8.429 1.298 -2.785 1.00 0.00 C ATOM 935 CG LEU A 69 -9.629 0.742 -3.554 1.00 0.00 C ATOM 936 CD1 LEU A 69 -9.981 -0.669 -3.078 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.825 1.692 -3.465 1.00 0.00 C ATOM 0 H LEU A 69 -10.790 1.691 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.867 1.372 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.028 2.146 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.651 0.535 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.355 0.667 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.837 -1.040 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.129 -1.330 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.228 -0.644 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.664 1.273 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.109 1.822 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.555 2.658 -3.891 1.00 0.00 H new ATOM 948 N HIS A 70 -7.587 3.802 -0.763 1.00 0.00 N ATOM 949 CA HIS A 70 -7.465 5.235 -0.556 1.00 0.00 C ATOM 950 C HIS A 70 -6.114 5.718 -1.089 1.00 0.00 C ATOM 951 O HIS A 70 -5.099 5.044 -0.921 1.00 0.00 O ATOM 952 CB HIS A 70 -7.682 5.591 0.917 1.00 0.00 C ATOM 953 CG HIS A 70 -8.857 4.886 1.552 1.00 0.00 C ATOM 954 ND1 HIS A 70 -8.749 3.645 2.156 1.00 0.00 N ATOM 955 CD2 HIS A 70 -10.163 5.261 1.672 1.00 0.00 C ATOM 956 CE1 HIS A 70 -9.943 3.299 2.614 1.00 0.00 C ATOM 957 NE2 HIS A 70 -10.818 4.301 2.312 1.00 0.00 N ATOM 0 H HIS A 70 -6.740 3.269 -0.566 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.244 5.754 -1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.779 5.346 1.476 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.828 6.668 1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.591 6.183 1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.182 2.384 3.135 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.812 4.311 2.541 1.00 0.00 H new ATOM 964 N ILE A 71 -6.146 6.882 -1.721 1.00 0.00 N ATOM 965 CA ILE A 71 -4.937 7.463 -2.280 1.00 0.00 C ATOM 966 C ILE A 71 -4.880 8.949 -1.925 1.00 0.00 C ATOM 967 O ILE A 71 -5.849 9.679 -2.130 1.00 0.00 O ATOM 968 CB ILE A 71 -4.855 7.186 -3.783 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.678 7.933 -4.414 1.00 0.00 C ATOM 970 CG2 ILE A 71 -6.180 7.515 -4.474 1.00 0.00 C ATOM 971 CD1 ILE A 71 -4.047 9.388 -4.711 1.00 0.00 C ATOM 0 H ILE A 71 -6.990 7.438 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.053 6.997 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.674 6.121 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.820 7.902 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.379 7.435 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.095 7.309 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.974 6.902 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.416 8.569 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.193 9.896 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.889 9.416 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.322 9.890 -3.784 1.00 0.00 H new ATOM 982 N ASP A 72 -3.733 9.356 -1.399 1.00 0.00 N ATOM 983 CA ASP A 72 -3.537 10.743 -1.013 1.00 0.00 C ATOM 984 C ASP A 72 -2.083 11.140 -1.278 1.00 0.00 C ATOM 985 O ASP A 72 -1.167 10.356 -1.034 1.00 0.00 O ATOM 986 CB ASP A 72 -3.818 10.946 0.476 1.00 0.00 C ATOM 987 CG ASP A 72 -5.180 11.566 0.798 1.00 0.00 C ATOM 988 OD1 ASP A 72 -5.286 12.772 1.064 1.00 0.00 O ATOM 989 OD2 ASP A 72 -6.174 10.744 0.768 1.00 0.00 O ATOM 0 H ASP A 72 -2.930 8.749 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.225 11.356 -1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.747 9.982 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.038 11.582 0.894 1.00 0.00 H new ATOM 994 N GLY A 73 -1.916 12.358 -1.773 1.00 0.00 N ATOM 995 CA GLY A 73 -0.589 12.868 -2.073 1.00 0.00 C ATOM 996 C GLY A 73 -0.426 14.302 -1.565 1.00 0.00 C ATOM 997 O GLY A 73 -1.268 15.158 -1.830 1.00 0.00 O ATOM 0 H GLY A 73 -2.678 13.006 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.163 12.227 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.418 12.838 -3.149 1.00 0.00 H new ATOM 1001 N ASN A 74 0.664 14.519 -0.844 1.00 0.00 N ATOM 1002 CA ASN A 74 0.949 15.835 -0.296 1.00 0.00 C ATOM 1003 C ASN A 74 2.460 16.072 -0.311 1.00 0.00 C ATOM 1004 O ASN A 74 3.237 15.164 -0.020 1.00 0.00 O ATOM 1005 CB ASN A 74 0.467 15.944 1.152 1.00 0.00 C ATOM 1006 CG ASN A 74 -0.168 17.311 1.417 1.00 0.00 C ATOM 1007 OD1 ASN A 74 0.301 18.341 0.963 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.259 17.262 2.175 1.00 0.00 N ATOM 0 H ASN A 74 1.360 13.806 -0.626 1.00 0.00 H new ATOM 0 HA ASN A 74 0.430 16.575 -0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.258 15.156 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.306 15.791 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.757 18.121 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.598 16.365 2.523 1.00 0.00 H new ATOM 1014 N TYR A 75 2.831 17.298 -0.652 1.00 0.00 N ATOM 1015 CA TYR A 75 4.235 17.667 -0.708 1.00 0.00 C ATOM 1016 C TYR A 75 4.868 17.632 0.685 1.00 0.00 C ATOM 1017 O TYR A 75 6.081 17.782 0.823 1.00 0.00 O ATOM 1018 CB TYR A 75 4.274 19.101 -1.237 1.00 0.00 C ATOM 1019 CG TYR A 75 4.061 20.168 -0.161 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.006 20.057 0.721 1.00 0.00 C ATOM 1021 CD2 TYR A 75 4.926 21.240 -0.072 1.00 0.00 C ATOM 1022 CE1 TYR A 75 2.807 21.060 1.735 1.00 0.00 C ATOM 1023 CE2 TYR A 75 4.727 22.244 0.942 1.00 0.00 C ATOM 1024 CZ TYR A 75 3.677 22.104 1.795 1.00 0.00 C ATOM 1025 OH TYR A 75 3.488 23.051 2.752 1.00 0.00 O ATOM 0 H TYR A 75 2.183 18.048 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 75 4.789 16.973 -1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.236 19.273 -1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.508 19.215 -2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.329 19.218 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.752 21.326 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.986 20.985 2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.396 23.088 1.023 1.00 0.00 H new ATOM 0 HH TYR A 75 4.185 23.736 2.677 1.00 0.00 H new ATOM 1034 N GLN A 76 4.017 17.432 1.681 1.00 0.00 N ATOM 1035 CA GLN A 76 4.479 17.376 3.057 1.00 0.00 C ATOM 1036 C GLN A 76 4.307 15.962 3.617 1.00 0.00 C ATOM 1037 O GLN A 76 4.725 15.680 4.739 1.00 0.00 O ATOM 1038 CB GLN A 76 3.743 18.402 3.924 1.00 0.00 C ATOM 1039 CG GLN A 76 2.364 17.884 4.335 1.00 0.00 C ATOM 1040 CD GLN A 76 1.440 19.038 4.728 1.00 0.00 C ATOM 1041 OE1 GLN A 76 0.409 19.275 4.121 1.00 0.00 O ATOM 1042 NE2 GLN A 76 1.866 19.740 5.774 1.00 0.00 N ATOM 0 H GLN A 76 3.012 17.307 1.562 1.00 0.00 H new ATOM 0 HA GLN A 76 5.540 17.627 3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.333 18.621 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.635 19.337 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.922 17.324 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.466 17.193 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.739 19.487 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.319 20.531 6.114 1.00 0.00 H new ATOM 1049 N LEU A 77 3.692 15.111 2.810 1.00 0.00 N ATOM 1050 CA LEU A 77 3.460 13.733 3.210 1.00 0.00 C ATOM 1051 C LEU A 77 4.741 13.162 3.819 1.00 0.00 C ATOM 1052 O LEU A 77 4.777 12.832 5.004 1.00 0.00 O ATOM 1053 CB LEU A 77 2.921 12.917 2.034 1.00 0.00 C ATOM 1054 CG LEU A 77 1.835 11.893 2.370 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.484 12.578 2.584 1.00 0.00 C ATOM 1056 CD2 LEU A 77 1.761 10.801 1.301 1.00 0.00 C ATOM 0 H LEU A 77 3.347 15.349 1.880 1.00 0.00 H new ATOM 0 HA LEU A 77 2.690 13.684 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.524 13.608 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.756 12.393 1.569 1.00 0.00 H new ATOM 0 HG LEU A 77 2.102 11.407 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.271 11.828 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.562 13.288 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.196 13.107 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.981 10.086 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.529 11.252 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.720 10.286 1.240 1.00 0.00 H new ATOM 1067 N GLY A 78 5.763 13.061 2.981 1.00 0.00 N ATOM 1068 CA GLY A 78 7.044 12.534 3.423 1.00 0.00 C ATOM 1069 C GLY A 78 7.863 12.019 2.237 1.00 0.00 C ATOM 1070 O GLY A 78 8.679 11.112 2.389 1.00 0.00 O ATOM 0 H GLY A 78 5.730 13.335 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.601 13.312 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.882 11.726 4.136 1.00 0.00 H new ATOM 1074 N ARG A 79 7.616 12.621 1.083 1.00 0.00 N ATOM 1075 CA ARG A 79 8.321 12.235 -0.127 1.00 0.00 C ATOM 1076 C ARG A 79 8.309 10.713 -0.287 1.00 0.00 C ATOM 1077 O ARG A 79 9.358 10.097 -0.469 1.00 0.00 O ATOM 1078 CB ARG A 79 9.769 12.727 -0.102 1.00 0.00 C ATOM 1079 CG ARG A 79 10.143 13.399 -1.425 1.00 0.00 C ATOM 1080 CD ARG A 79 11.569 13.950 -1.377 1.00 0.00 C ATOM 1081 NE ARG A 79 11.682 14.970 -0.311 1.00 0.00 N ATOM 1082 CZ ARG A 79 11.163 16.213 -0.394 1.00 0.00 C ATOM 1083 NH1 ARG A 79 10.490 16.601 -1.498 1.00 0.00 N ATOM 1084 NH2 ARG A 79 11.324 17.044 0.619 1.00 0.00 N ATOM 0 H ARG A 79 6.938 13.373 0.960 1.00 0.00 H new ATOM 0 HA ARG A 79 7.807 12.696 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.903 13.432 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.439 11.888 0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.054 12.680 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.444 14.208 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.275 13.140 -1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.831 14.388 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 79 12.184 14.718 0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.371 15.953 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.101 17.542 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.835 16.743 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.938 17.987 0.572 1.00 0.00 H new ATOM 1094 N ASN A 80 7.111 10.151 -0.211 1.00 0.00 N ATOM 1095 CA ASN A 80 6.949 8.714 -0.343 1.00 0.00 C ATOM 1096 C ASN A 80 6.110 8.412 -1.587 1.00 0.00 C ATOM 1097 O ASN A 80 4.954 8.822 -1.673 1.00 0.00 O ATOM 1098 CB ASN A 80 6.226 8.126 0.870 1.00 0.00 C ATOM 1099 CG ASN A 80 5.717 9.235 1.795 1.00 0.00 C ATOM 1100 OD1 ASN A 80 4.592 9.810 1.382 1.00 0.00 O flip ATOM 1101 ND2 ASN A 80 6.308 9.547 2.815 1.00 0.00 N flip ATOM 0 H ASN A 80 6.244 10.666 -0.060 1.00 0.00 H new ATOM 0 HA ASN A 80 7.941 8.269 -0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.389 7.512 0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.903 7.471 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.168 9.064 3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.942 10.291 3.409 1.00 0.00 H new ATOM 1107 N VAL A 81 6.725 7.698 -2.517 1.00 0.00 N ATOM 1108 CA VAL A 81 6.048 7.336 -3.752 1.00 0.00 C ATOM 1109 C VAL A 81 5.927 5.813 -3.834 1.00 0.00 C ATOM 1110 O VAL A 81 6.923 5.116 -4.016 1.00 0.00 O ATOM 1111 CB VAL A 81 6.784 7.942 -4.948 1.00 0.00 C ATOM 1112 CG1 VAL A 81 6.909 9.460 -4.804 1.00 0.00 C ATOM 1113 CG2 VAL A 81 8.159 7.295 -5.132 1.00 0.00 C ATOM 0 H VAL A 81 7.684 7.360 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 81 5.037 7.744 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 81 6.194 7.737 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.436 9.865 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.915 9.903 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.465 9.695 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.661 7.744 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.759 7.454 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.038 6.225 -5.302 1.00 0.00 H new ATOM 1123 N LEU A 82 4.695 5.342 -3.696 1.00 0.00 N ATOM 1124 CA LEU A 82 4.430 3.915 -3.752 1.00 0.00 C ATOM 1125 C LEU A 82 3.371 3.640 -4.822 1.00 0.00 C ATOM 1126 O LEU A 82 2.251 4.143 -4.736 1.00 0.00 O ATOM 1127 CB LEU A 82 4.057 3.384 -2.367 1.00 0.00 C ATOM 1128 CG LEU A 82 5.226 2.965 -1.473 1.00 0.00 C ATOM 1129 CD1 LEU A 82 4.800 2.907 -0.004 1.00 0.00 C ATOM 1130 CD2 LEU A 82 5.831 1.641 -1.946 1.00 0.00 C ATOM 0 H LEU A 82 3.871 5.924 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 82 5.329 3.372 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.485 4.152 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.397 2.526 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 82 6.005 3.723 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.649 2.607 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.453 3.890 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.994 2.183 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.660 1.366 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.070 0.861 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.195 1.752 -2.968 1.00 0.00 H new ATOM 1141 N LEU A 83 3.761 2.841 -5.804 1.00 0.00 N ATOM 1142 CA LEU A 83 2.859 2.492 -6.888 1.00 0.00 C ATOM 1143 C LEU A 83 2.567 0.991 -6.840 1.00 0.00 C ATOM 1144 O LEU A 83 3.442 0.175 -7.125 1.00 0.00 O ATOM 1145 CB LEU A 83 3.425 2.966 -8.229 1.00 0.00 C ATOM 1146 CG LEU A 83 2.438 3.004 -9.397 1.00 0.00 C ATOM 1147 CD1 LEU A 83 2.861 4.043 -10.438 1.00 0.00 C ATOM 1148 CD2 LEU A 83 2.263 1.615 -10.013 1.00 0.00 C ATOM 0 H LEU A 83 4.690 2.425 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 83 1.905 3.006 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.836 3.966 -8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.255 2.314 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 83 1.465 3.310 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.143 4.050 -11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.893 5.029 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.849 3.791 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.556 1.671 -10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.224 1.256 -10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.883 0.927 -9.257 1.00 0.00 H new ATOM 1159 N LYS A 84 1.332 0.672 -6.479 1.00 0.00 N ATOM 1160 CA LYS A 84 0.913 -0.716 -6.390 1.00 0.00 C ATOM 1161 C LYS A 84 -0.328 -0.926 -7.259 1.00 0.00 C ATOM 1162 O LYS A 84 -1.359 -0.293 -7.036 1.00 0.00 O ATOM 1163 CB LYS A 84 0.719 -1.125 -4.928 1.00 0.00 C ATOM 1164 CG LYS A 84 2.006 -1.711 -4.346 1.00 0.00 C ATOM 1165 CD LYS A 84 1.764 -3.110 -3.777 1.00 0.00 C ATOM 1166 CE LYS A 84 2.999 -3.620 -3.033 1.00 0.00 C ATOM 1167 NZ LYS A 84 3.507 -2.588 -2.102 1.00 0.00 N ATOM 0 H LYS A 84 0.608 1.352 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 84 1.689 -1.374 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.413 -0.258 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.084 -1.859 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.771 -1.757 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.386 -1.056 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.910 -3.088 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.512 -3.797 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.749 -4.526 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.777 -3.887 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.463 -2.847 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.540 -1.669 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.875 -2.522 -1.278 1.00 0.00 H new ATOM 1176 N ASN A 85 -0.188 -1.817 -8.229 1.00 0.00 N ATOM 1177 CA ASN A 85 -1.287 -2.117 -9.132 1.00 0.00 C ATOM 1178 C ASN A 85 -1.723 -3.571 -8.931 1.00 0.00 C ATOM 1179 O ASN A 85 -0.950 -4.495 -9.180 1.00 0.00 O ATOM 1180 CB ASN A 85 -0.861 -1.950 -10.592 1.00 0.00 C ATOM 1181 CG ASN A 85 -2.080 -1.907 -11.517 1.00 0.00 C ATOM 1182 OD1 ASN A 85 -3.211 -2.106 -11.105 1.00 0.00 O ATOM 1183 ND2 ASN A 85 -1.786 -1.636 -12.785 1.00 0.00 N ATOM 0 H ASN A 85 0.668 -2.341 -8.410 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.102 -1.428 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.283 -1.033 -10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.209 -2.775 -10.881 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.530 -1.584 -13.481 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.817 -1.480 -13.062 1.00 0.00 H new ATOM 1189 N GLY A 86 -2.960 -3.727 -8.482 1.00 0.00 N ATOM 1190 CA GLY A 86 -3.508 -5.052 -8.245 1.00 0.00 C ATOM 1191 C GLY A 86 -4.672 -5.342 -9.194 1.00 0.00 C ATOM 1192 O GLY A 86 -5.675 -4.629 -9.188 1.00 0.00 O ATOM 0 H GLY A 86 -3.598 -2.958 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.728 -5.801 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.848 -5.129 -7.212 1.00 0.00 H new ATOM 1196 N GLU A 87 -4.500 -6.389 -9.988 1.00 0.00 N ATOM 1197 CA GLU A 87 -5.524 -6.782 -10.941 1.00 0.00 C ATOM 1198 C GLU A 87 -5.916 -8.245 -10.726 1.00 0.00 C ATOM 1199 O GLU A 87 -5.078 -9.139 -10.832 1.00 0.00 O ATOM 1200 CB GLU A 87 -5.055 -6.546 -12.378 1.00 0.00 C ATOM 1201 CG GLU A 87 -6.155 -5.885 -13.212 1.00 0.00 C ATOM 1202 CD GLU A 87 -5.557 -4.988 -14.296 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -4.358 -5.094 -14.598 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -6.384 -4.157 -14.834 1.00 0.00 O ATOM 0 H GLU A 87 -3.667 -6.977 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.405 -6.162 -10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.167 -5.915 -12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.770 -7.495 -12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.778 -6.652 -13.672 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.803 -5.295 -12.564 1.00 0.00 H new ATOM 1210 N ASP A 88 -7.191 -8.445 -10.427 1.00 0.00 N ATOM 1211 CA ASP A 88 -7.705 -9.785 -10.196 1.00 0.00 C ATOM 1212 C ASP A 88 -9.148 -9.866 -10.696 1.00 0.00 C ATOM 1213 O ASP A 88 -10.007 -9.106 -10.252 1.00 0.00 O ATOM 1214 CB ASP A 88 -7.702 -10.126 -8.704 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.471 -10.893 -8.219 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -5.518 -11.119 -8.980 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -6.514 -11.270 -6.986 1.00 0.00 O ATOM 0 H ASP A 88 -7.884 -7.702 -10.339 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.065 -10.488 -10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.782 -9.200 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.591 -10.716 -8.480 1.00 0.00 H new ATOM 1222 N ARG A 89 -9.371 -10.795 -11.615 1.00 0.00 N ATOM 1223 CA ARG A 89 -10.695 -10.986 -12.181 1.00 0.00 C ATOM 1224 C ARG A 89 -11.019 -12.477 -12.283 1.00 0.00 C ATOM 1225 O ARG A 89 -10.238 -13.248 -12.839 1.00 0.00 O ATOM 1226 CB ARG A 89 -10.798 -10.352 -13.569 1.00 0.00 C ATOM 1227 CG ARG A 89 -9.476 -9.693 -13.970 1.00 0.00 C ATOM 1228 CD ARG A 89 -9.607 -8.168 -13.986 1.00 0.00 C ATOM 1229 NE ARG A 89 -9.727 -7.656 -12.602 1.00 0.00 N ATOM 1230 CZ ARG A 89 -10.895 -7.297 -12.028 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -12.054 -7.392 -12.713 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -10.886 -6.851 -10.785 1.00 0.00 N ATOM 0 H ARG A 89 -8.656 -11.424 -11.981 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.411 -10.500 -11.519 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.066 -11.113 -14.302 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.596 -9.609 -13.575 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.692 -9.987 -13.272 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.174 -10.046 -14.956 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.738 -7.725 -14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.481 -7.876 -14.568 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.875 -7.569 -12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.052 -7.737 -13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.932 -7.118 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.006 -6.782 -10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.759 -6.575 -10.336 1.00 0.00 H new ATOM 1242 N LEU A 90 -12.171 -12.839 -11.739 1.00 0.00 N ATOM 1243 CA LEU A 90 -12.608 -14.225 -11.763 1.00 0.00 C ATOM 1244 C LEU A 90 -14.024 -14.299 -12.335 1.00 0.00 C ATOM 1245 O LEU A 90 -14.622 -13.274 -12.659 1.00 0.00 O ATOM 1246 CB LEU A 90 -12.472 -14.853 -10.374 1.00 0.00 C ATOM 1247 CG LEU A 90 -11.042 -15.085 -9.880 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -10.181 -15.722 -10.973 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -10.428 -13.789 -9.350 1.00 0.00 C ATOM 0 H LEU A 90 -12.816 -12.197 -11.279 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.968 -14.815 -12.419 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.984 -14.213 -9.656 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.994 -15.810 -10.377 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.078 -15.788 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.170 -15.876 -10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.611 -16.681 -11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.148 -15.063 -11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.412 -13.982 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.406 -13.045 -10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.028 -13.415 -8.520 1.00 0.00 H new ATOM 1260 N ARG A 91 -14.521 -15.523 -12.443 1.00 0.00 N ATOM 1261 CA ARG A 91 -15.857 -15.745 -12.970 1.00 0.00 C ATOM 1262 C ARG A 91 -16.903 -15.528 -11.876 1.00 0.00 C ATOM 1263 O ARG A 91 -18.065 -15.252 -12.168 1.00 0.00 O ATOM 1264 CB ARG A 91 -16.000 -17.161 -13.531 1.00 0.00 C ATOM 1265 CG ARG A 91 -15.650 -18.208 -12.471 1.00 0.00 C ATOM 1266 CD ARG A 91 -16.712 -19.307 -12.412 1.00 0.00 C ATOM 1267 NE ARG A 91 -16.726 -20.065 -13.683 1.00 0.00 N ATOM 1268 CZ ARG A 91 -17.689 -20.946 -14.029 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -18.728 -21.186 -13.200 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -17.600 -21.568 -15.190 1.00 0.00 N ATOM 0 H ARG A 91 -14.022 -16.371 -12.174 1.00 0.00 H new ATOM 0 HA ARG A 91 -16.018 -15.030 -13.777 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -17.021 -17.317 -13.878 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.347 -17.281 -14.396 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.679 -18.648 -12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.564 -17.728 -11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -16.505 -19.980 -11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -17.693 -18.867 -12.230 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.960 -19.912 -14.339 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -18.789 -20.700 -12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -19.451 -21.853 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.812 -21.380 -15.810 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.319 -22.237 -15.467 1.00 0.00 H new ATOM 1280 N PHE A 92 -16.453 -15.664 -10.637 1.00 0.00 N ATOM 1281 CA PHE A 92 -17.336 -15.486 -9.497 1.00 0.00 C ATOM 1282 C PHE A 92 -17.615 -14.003 -9.243 1.00 0.00 C ATOM 1283 O PHE A 92 -18.381 -13.656 -8.346 1.00 0.00 O ATOM 1284 CB PHE A 92 -16.618 -16.072 -8.280 1.00 0.00 C ATOM 1285 CG PHE A 92 -15.663 -15.096 -7.590 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -16.150 -14.162 -6.730 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -14.327 -15.162 -7.837 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.264 -13.256 -6.089 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -13.441 -14.255 -7.197 1.00 0.00 C ATOM 1290 CZ PHE A 92 -13.928 -13.321 -6.337 1.00 0.00 C ATOM 0 H PHE A 92 -15.489 -15.895 -10.398 1.00 0.00 H new ATOM 0 HA PHE A 92 -18.289 -15.980 -9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -17.363 -16.407 -7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -16.058 -16.953 -8.591 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -17.211 -14.109 -6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.940 -15.904 -8.520 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.651 -12.515 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.380 -14.307 -7.393 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.254 -12.631 -5.851 1.00 0.00 H new ATOM 1299 N TYR A 93 -16.977 -13.168 -10.052 1.00 0.00 N ATOM 1300 CA TYR A 93 -17.147 -11.731 -9.927 1.00 0.00 C ATOM 1301 C TYR A 93 -18.307 -11.238 -10.793 1.00 0.00 C ATOM 1302 O TYR A 93 -18.301 -11.424 -12.009 1.00 0.00 O ATOM 1303 CB TYR A 93 -15.845 -11.106 -10.435 1.00 0.00 C ATOM 1304 CG TYR A 93 -15.089 -10.299 -9.380 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -14.516 -10.940 -8.299 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -14.978 -8.929 -9.507 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -13.804 -10.179 -7.306 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -14.265 -8.169 -8.514 1.00 0.00 C ATOM 1309 CZ TYR A 93 -13.713 -8.831 -7.461 1.00 0.00 C ATOM 1310 OH TYR A 93 -13.040 -8.113 -6.523 1.00 0.00 O ATOM 0 H TYR A 93 -16.342 -13.460 -10.795 1.00 0.00 H new ATOM 0 HA TYR A 93 -17.366 -11.459 -8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -15.195 -11.898 -10.806 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -16.072 -10.457 -11.281 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.602 -12.012 -8.199 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.426 -8.427 -10.352 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.352 -10.668 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.170 -7.097 -8.603 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.056 -7.163 -6.765 1.00 0.00 H new ATOM 1319 N VAL A 94 -19.275 -10.619 -10.133 1.00 0.00 N ATOM 1320 CA VAL A 94 -20.440 -10.098 -10.829 1.00 0.00 C ATOM 1321 C VAL A 94 -20.311 -8.580 -10.965 1.00 0.00 C ATOM 1322 O VAL A 94 -20.967 -7.971 -11.809 1.00 0.00 O ATOM 1323 CB VAL A 94 -21.718 -10.527 -10.104 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -22.923 -10.484 -11.045 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -21.555 -11.915 -9.482 1.00 0.00 C ATOM 0 H VAL A 94 -19.277 -10.467 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 94 -20.499 -10.511 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 94 -21.900 -9.818 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -23.818 -10.793 -10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -23.057 -9.469 -11.418 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -22.754 -11.159 -11.884 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -22.477 -12.196 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -21.337 -12.641 -10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.735 -11.898 -8.764 1.00 0.00 H new ATOM 1335 N LYS A 95 -19.460 -8.013 -10.123 1.00 0.00 N ATOM 1336 CA LYS A 95 -19.237 -6.577 -10.139 1.00 0.00 C ATOM 1337 C LYS A 95 -18.209 -6.238 -11.220 1.00 0.00 C ATOM 1338 O LYS A 95 -18.261 -5.162 -11.815 1.00 0.00 O ATOM 1339 CB LYS A 95 -18.850 -6.080 -8.744 1.00 0.00 C ATOM 1340 CG LYS A 95 -19.753 -4.925 -8.304 1.00 0.00 C ATOM 1341 CD LYS A 95 -20.037 -4.994 -6.803 1.00 0.00 C ATOM 1342 CE LYS A 95 -19.694 -3.668 -6.119 1.00 0.00 C ATOM 1343 NZ LYS A 95 -18.240 -3.402 -6.207 1.00 0.00 N ATOM 0 H LYS A 95 -18.917 -8.522 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 95 -20.156 -6.051 -10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -18.926 -6.899 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.810 -5.753 -8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -19.277 -3.974 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -20.691 -4.961 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -21.088 -5.231 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.455 -5.800 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.248 -2.855 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.001 -3.701 -5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.956 -2.764 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.718 -4.298 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.023 -2.957 -7.122 1.00 0.00 H new ATOM 1352 N PHE A 96 -17.298 -7.175 -11.440 1.00 0.00 N ATOM 1353 CA PHE A 96 -16.259 -6.988 -12.439 1.00 0.00 C ATOM 1354 C PHE A 96 -15.625 -5.601 -12.317 1.00 0.00 C ATOM 1355 O PHE A 96 -15.851 -4.735 -13.161 1.00 0.00 O ATOM 1356 CB PHE A 96 -16.929 -7.110 -13.809 1.00 0.00 C ATOM 1357 CG PHE A 96 -17.370 -8.533 -14.160 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -16.471 -9.416 -14.672 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -18.661 -8.914 -13.962 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -16.881 -10.737 -14.998 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -19.070 -10.234 -14.288 1.00 0.00 C ATOM 1362 CZ PHE A 96 -18.171 -11.117 -14.800 1.00 0.00 C ATOM 0 H PHE A 96 -17.258 -8.065 -10.944 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.473 -7.731 -12.302 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -17.799 -6.454 -13.837 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.238 -6.756 -14.573 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.446 -9.113 -14.831 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -19.375 -8.212 -13.557 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -16.167 -11.439 -15.403 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -20.094 -10.537 -14.129 1.00 0.00 H new ATOM 0 HZ PHE A 96 -18.482 -12.121 -15.049 1.00 0.00 H new ATOM 1371 N GLY A 97 -14.842 -5.434 -11.262 1.00 0.00 N ATOM 1372 CA GLY A 97 -14.173 -4.167 -11.018 1.00 0.00 C ATOM 1373 C GLY A 97 -12.653 -4.342 -11.017 1.00 0.00 C ATOM 1374 O GLY A 97 -12.077 -4.792 -10.027 1.00 0.00 O ATOM 0 H GLY A 97 -14.655 -6.155 -10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -14.459 -3.447 -11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -14.497 -3.759 -10.060 1.00 0.00 H new ATOM 1378 N PRO A 98 -12.030 -3.966 -12.166 1.00 0.00 N ATOM 1379 CA PRO A 98 -10.588 -4.077 -12.305 1.00 0.00 C ATOM 1380 C PRO A 98 -9.875 -2.976 -11.518 1.00 0.00 C ATOM 1381 O PRO A 98 -9.819 -1.829 -11.959 1.00 0.00 O ATOM 1382 CB PRO A 98 -10.330 -3.999 -13.801 1.00 0.00 C ATOM 1383 CG PRO A 98 -11.581 -3.384 -14.408 1.00 0.00 C ATOM 1384 CD PRO A 98 -12.678 -3.428 -13.358 1.00 0.00 C ATOM 0 HA PRO A 98 -10.196 -5.008 -11.894 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.452 -3.389 -14.015 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.140 -4.989 -14.217 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.390 -2.356 -14.717 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.883 -3.934 -15.299 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -13.088 -2.435 -13.172 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.507 -4.060 -13.677 1.00 0.00 H new ATOM 1389 N GLY A 99 -9.346 -3.363 -10.366 1.00 0.00 N ATOM 1390 CA GLY A 99 -8.640 -2.423 -9.513 1.00 0.00 C ATOM 1391 C GLY A 99 -7.367 -1.916 -10.193 1.00 0.00 C ATOM 1392 O GLY A 99 -6.282 -2.449 -9.967 1.00 0.00 O ATOM 0 H GLY A 99 -9.393 -4.315 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.291 -1.581 -9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.385 -2.904 -8.568 1.00 0.00 H new ATOM 1396 N ALA A 100 -7.541 -0.891 -11.014 1.00 0.00 N ATOM 1397 CA ALA A 100 -6.421 -0.304 -11.729 1.00 0.00 C ATOM 1398 C ALA A 100 -6.023 1.010 -11.055 1.00 0.00 C ATOM 1399 O ALA A 100 -6.783 1.559 -10.260 1.00 0.00 O ATOM 1400 CB ALA A 100 -6.797 -0.116 -13.201 1.00 0.00 C ATOM 0 H ALA A 100 -8.442 -0.451 -11.200 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.555 -0.965 -11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.957 0.324 -13.738 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.042 -1.083 -13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.661 0.545 -13.274 1.00 0.00 H new ATOM 1406 N VAL A 101 -4.831 1.477 -11.400 1.00 0.00 N ATOM 1407 CA VAL A 101 -4.322 2.717 -10.838 1.00 0.00 C ATOM 1408 C VAL A 101 -5.261 3.865 -11.216 1.00 0.00 C ATOM 1409 O VAL A 101 -5.514 4.755 -10.406 1.00 0.00 O ATOM 1410 CB VAL A 101 -2.881 2.946 -11.296 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -1.966 1.818 -10.815 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -2.807 3.102 -12.817 1.00 0.00 C ATOM 0 H VAL A 101 -4.204 1.019 -12.061 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.297 2.663 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.531 3.875 -10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.947 2.006 -11.155 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.983 1.775 -9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.315 0.869 -11.221 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.771 3.264 -13.116 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.186 2.198 -13.294 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.411 3.955 -13.125 1.00 0.00 H new ATOM 1422 N ILE A 102 -5.749 3.808 -12.446 1.00 0.00 N ATOM 1423 CA ILE A 102 -6.653 4.831 -12.941 1.00 0.00 C ATOM 1424 C ILE A 102 -7.955 4.788 -12.138 1.00 0.00 C ATOM 1425 O ILE A 102 -8.499 5.829 -11.775 1.00 0.00 O ATOM 1426 CB ILE A 102 -6.855 4.684 -14.450 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -7.863 5.711 -14.972 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -7.255 3.252 -14.812 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -7.700 5.922 -16.478 1.00 0.00 C ATOM 0 H ILE A 102 -5.535 3.068 -13.115 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.222 5.822 -12.796 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.905 4.888 -14.943 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.877 5.373 -14.756 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.725 6.659 -14.451 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.393 3.174 -15.890 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.471 2.564 -14.496 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -8.187 2.996 -14.308 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.428 6.656 -16.823 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.693 6.283 -16.688 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.863 4.978 -16.997 1.00 0.00 H new ATOM 1440 N LYS A 103 -8.416 3.572 -11.887 1.00 0.00 N ATOM 1441 CA LYS A 103 -9.644 3.378 -11.134 1.00 0.00 C ATOM 1442 C LYS A 103 -9.447 3.885 -9.704 1.00 0.00 C ATOM 1443 O LYS A 103 -10.373 4.421 -9.099 1.00 0.00 O ATOM 1444 CB LYS A 103 -10.095 1.919 -11.212 1.00 0.00 C ATOM 1445 CG LYS A 103 -11.165 1.731 -12.290 1.00 0.00 C ATOM 1446 CD LYS A 103 -10.679 2.255 -13.642 1.00 0.00 C ATOM 1447 CE LYS A 103 -11.857 2.660 -14.530 1.00 0.00 C ATOM 1448 NZ LYS A 103 -12.536 3.853 -13.977 1.00 0.00 N ATOM 0 H LYS A 103 -7.962 2.711 -12.191 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.454 3.962 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.238 1.281 -11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.489 1.604 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.419 0.674 -12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.076 2.255 -11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.023 3.112 -13.489 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.089 1.487 -14.143 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -11.504 2.870 -15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.564 1.834 -14.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.536 3.632 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.078 4.131 -13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.471 4.636 -14.658 1.00 0.00 H new ATOM 1457 N GLU A 104 -8.233 3.699 -9.207 1.00 0.00 N ATOM 1458 CA GLU A 104 -7.902 4.132 -7.860 1.00 0.00 C ATOM 1459 C GLU A 104 -8.440 5.542 -7.608 1.00 0.00 C ATOM 1460 O GLU A 104 -8.892 5.849 -6.506 1.00 0.00 O ATOM 1461 CB GLU A 104 -6.392 4.070 -7.619 1.00 0.00 C ATOM 1462 CG GLU A 104 -6.059 3.114 -6.472 1.00 0.00 C ATOM 1463 CD GLU A 104 -4.685 3.430 -5.878 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -4.595 4.135 -4.862 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.685 2.913 -6.509 1.00 0.00 O ATOM 0 H GLU A 104 -7.467 3.254 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.378 3.451 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.888 3.742 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.016 5.066 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.821 3.191 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.075 2.086 -6.834 1.00 0.00 H new ATOM 1471 N PHE A 105 -8.373 6.361 -8.647 1.00 0.00 N ATOM 1472 CA PHE A 105 -8.848 7.731 -8.552 1.00 0.00 C ATOM 1473 C PHE A 105 -10.336 7.772 -8.198 1.00 0.00 C ATOM 1474 O PHE A 105 -10.773 8.637 -7.440 1.00 0.00 O ATOM 1475 CB PHE A 105 -8.644 8.371 -9.926 1.00 0.00 C ATOM 1476 CG PHE A 105 -7.260 8.990 -10.127 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -6.818 9.957 -9.279 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -6.470 8.573 -11.152 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -5.533 10.531 -9.463 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -5.184 9.148 -11.338 1.00 0.00 C ATOM 1481 CZ PHE A 105 -4.743 10.114 -10.489 1.00 0.00 C ATOM 0 H PHE A 105 -7.997 6.102 -9.559 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.302 8.261 -7.772 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.808 7.616 -10.695 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -9.400 9.143 -10.071 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.445 10.288 -8.465 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.820 7.804 -11.825 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.183 11.298 -8.789 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.557 8.818 -12.153 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.765 10.550 -10.629 1.00 0.00 H new ATOM 1490 N LYS A 106 -11.072 6.827 -8.764 1.00 0.00 N ATOM 1491 CA LYS A 106 -12.502 6.745 -8.518 1.00 0.00 C ATOM 1492 C LYS A 106 -12.766 6.896 -7.019 1.00 0.00 C ATOM 1493 O LYS A 106 -13.829 7.367 -6.616 1.00 0.00 O ATOM 1494 CB LYS A 106 -13.076 5.459 -9.117 1.00 0.00 C ATOM 1495 CG LYS A 106 -14.325 5.754 -9.950 1.00 0.00 C ATOM 1496 CD LYS A 106 -14.547 4.668 -11.006 1.00 0.00 C ATOM 1497 CE LYS A 106 -14.445 3.272 -10.389 1.00 0.00 C ATOM 1498 NZ LYS A 106 -15.654 2.477 -10.703 1.00 0.00 N ATOM 0 H LYS A 106 -10.705 6.112 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.022 7.562 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.324 4.976 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.324 4.760 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.196 5.816 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.222 6.724 -10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.528 4.796 -11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.809 4.773 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.559 2.764 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.326 3.353 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.569 1.532 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.494 2.956 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.750 2.384 -11.734 1.00 0.00 H new ATOM 1507 N ILE A 107 -11.781 6.486 -6.232 1.00 0.00 N ATOM 1508 CA ILE A 107 -11.893 6.570 -4.786 1.00 0.00 C ATOM 1509 C ILE A 107 -12.594 7.877 -4.408 1.00 0.00 C ATOM 1510 O ILE A 107 -13.440 7.897 -3.516 1.00 0.00 O ATOM 1511 CB ILE A 107 -10.523 6.394 -4.131 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.547 7.473 -4.604 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -9.978 4.984 -4.368 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -9.494 8.638 -3.612 1.00 0.00 C ATOM 0 H ILE A 107 -10.902 6.095 -6.569 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.509 5.756 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.641 6.516 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.552 7.043 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.851 7.839 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.003 4.886 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.665 4.252 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.878 4.808 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.793 9.391 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.485 9.081 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.166 8.273 -2.639 1.00 0.00 H new ATOM 1525 N THR A 108 -12.215 8.937 -5.106 1.00 0.00 N ATOM 1526 CA THR A 108 -12.795 10.245 -4.855 1.00 0.00 C ATOM 1527 C THR A 108 -12.970 11.012 -6.167 1.00 0.00 C ATOM 1528 O THR A 108 -14.020 11.605 -6.409 1.00 0.00 O ATOM 1529 CB THR A 108 -11.907 10.970 -3.841 1.00 0.00 C ATOM 1530 OG1 THR A 108 -12.306 10.432 -2.583 1.00 0.00 O ATOM 1531 CG2 THR A 108 -12.239 12.459 -3.731 1.00 0.00 C ATOM 0 H THR A 108 -11.513 8.917 -5.846 1.00 0.00 H new ATOM 0 HA THR A 108 -13.795 10.159 -4.430 1.00 0.00 H new ATOM 0 HB THR A 108 -10.861 10.851 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.779 10.846 -1.868 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.580 12.926 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.098 12.936 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.275 12.578 -3.415 1.00 0.00 H new ATOM 1539 N ASP A 109 -11.924 10.976 -6.980 1.00 0.00 N ATOM 1540 CA ASP A 109 -11.949 11.659 -8.262 1.00 0.00 C ATOM 1541 C ASP A 109 -13.325 11.479 -8.906 1.00 0.00 C ATOM 1542 O ASP A 109 -13.739 10.356 -9.189 1.00 0.00 O ATOM 1543 CB ASP A 109 -10.901 11.082 -9.216 1.00 0.00 C ATOM 1544 CG ASP A 109 -10.913 11.673 -10.626 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -10.729 12.886 -10.811 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -11.126 10.824 -11.572 1.00 0.00 O ATOM 0 H ASP A 109 -11.054 10.484 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.734 12.713 -8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.913 11.237 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.052 10.005 -9.289 1.00 0.00 H new TER 1551 ASP A 109