USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 792 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 46 GLN : amide:sc= -1.62! K(o=-0.42!,f=-4) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 143:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= -2.48! C(o=-7.6!,f=-2.7!) USER MOD Set 2.2: A 26 TYR OH : rot 100:sc= -0.237 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.28 (180deg=-1.19!) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0148 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0298 (180deg=-0.215) USER MOD Single : A 7 THR OG1 : rot -67:sc= 1.2 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 80:sc= 0.902 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -123:sc= 1.23 USER MOD Single : A 30 CYS SG : rot -150:sc= -2.77! USER MOD Single : A 33 CYS SG : rot -91:sc= 1.08 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -179:sc= -0.331 (180deg=-0.34) USER MOD Single : A 39 MET CE :methyl -145:sc= -6.33! (180deg=-9.6!) USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.18) USER MOD Single : A 44 SER OG : rot 168:sc= 0.0677 USER MOD Single : A 47 TYR OH : rot 119:sc= -6.18! USER MOD Single : A 49 GLN :FLIP amide:sc= -0.204 F(o=-1.1!,f=-0.2) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc=-0.00112 (180deg=-0.838) USER MOD Single : A 67 ASN : amide:sc= -8.59! C(o=-8.6!,f=-27!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 148:sc= -0.277 (180deg=-1) USER MOD Single : A 74 THR OG1 : rot 120:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.25) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.797 F(o=-2.7!,f=-0.8) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -1.31 (180deg=-2.66!) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 0.544 (180deg=0.468) USER MOD Single : A 91 ASN : amide:sc= -2.04! X(o=-2!,f=-1.9) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.185 F(o=-1.2,f=-0.18) USER MOD Single : A 102 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.936 -6.478 10.179 1.00 0.00 N ATOM 2 CA MET A 1 -5.244 -5.205 10.474 1.00 0.00 C ATOM 3 C MET A 1 -3.992 -5.090 9.621 1.00 0.00 C ATOM 4 O MET A 1 -3.270 -6.066 9.438 1.00 0.00 O ATOM 5 CB MET A 1 -4.882 -5.121 11.957 1.00 0.00 C ATOM 6 CG MET A 1 -4.136 -3.851 12.325 1.00 0.00 C ATOM 7 SD MET A 1 -3.965 -3.641 14.107 1.00 0.00 S ATOM 8 CE MET A 1 -5.689 -3.538 14.586 1.00 0.00 C ATOM 0 H1 MET A 1 -6.789 -6.287 9.615 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.300 -7.103 9.644 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.207 -6.941 11.070 1.00 0.00 H new ATOM 0 HA MET A 1 -5.915 -4.379 10.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.794 -5.182 12.550 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.270 -5.983 12.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.146 -3.870 11.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.662 -2.991 11.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.778 -2.955 15.503 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.259 -3.055 13.792 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.080 -4.541 14.755 1.00 0.00 H new ATOM 20 N VAL A 2 -3.740 -3.900 9.106 1.00 0.00 N ATOM 21 CA VAL A 2 -2.625 -3.677 8.205 1.00 0.00 C ATOM 22 C VAL A 2 -1.367 -3.267 8.971 1.00 0.00 C ATOM 23 O VAL A 2 -1.407 -2.384 9.827 1.00 0.00 O ATOM 24 CB VAL A 2 -3.006 -2.620 7.155 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.816 -2.242 6.295 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.140 -3.149 6.294 1.00 0.00 C ATOM 0 H VAL A 2 -4.297 -3.068 9.299 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.399 -4.612 7.693 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.334 -1.718 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.119 -1.493 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.026 -1.834 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.446 -3.127 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.411 -2.401 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.820 -4.062 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.004 -3.365 6.923 1.00 0.00 H new ATOM 36 N THR A 3 -0.259 -3.922 8.645 1.00 0.00 N ATOM 37 CA THR A 3 0.993 -3.772 9.378 1.00 0.00 C ATOM 38 C THR A 3 1.741 -2.496 8.993 1.00 0.00 C ATOM 39 O THR A 3 1.731 -2.074 7.839 1.00 0.00 O ATOM 40 CB THR A 3 1.893 -4.998 9.126 1.00 0.00 C ATOM 41 OG1 THR A 3 1.133 -6.200 9.324 1.00 0.00 O ATOM 42 CG2 THR A 3 3.104 -5.004 10.047 1.00 0.00 C ATOM 0 H THR A 3 -0.203 -4.574 7.863 1.00 0.00 H new ATOM 0 HA THR A 3 0.745 -3.699 10.437 1.00 0.00 H new ATOM 0 HB THR A 3 2.252 -4.946 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.705 -6.979 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.714 -5.883 9.840 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.695 -4.104 9.877 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.772 -5.030 11.085 1.00 0.00 H new ATOM 50 N GLN A 4 2.385 -1.896 9.980 1.00 0.00 N ATOM 51 CA GLN A 4 3.113 -0.651 9.805 1.00 0.00 C ATOM 52 C GLN A 4 4.580 -0.918 9.461 1.00 0.00 C ATOM 53 O GLN A 4 5.242 -1.722 10.117 1.00 0.00 O ATOM 54 CB GLN A 4 3.019 0.152 11.105 1.00 0.00 C ATOM 55 CG GLN A 4 3.650 1.538 11.038 1.00 0.00 C ATOM 56 CD GLN A 4 2.777 2.575 10.351 1.00 0.00 C ATOM 57 OE1 GLN A 4 1.883 2.135 9.485 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 2.889 3.770 10.623 1.00 0.00 N flip ATOM 0 H GLN A 4 2.417 -2.262 10.932 1.00 0.00 H new ATOM 0 HA GLN A 4 2.674 -0.090 8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 4 1.969 0.257 11.377 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.500 -0.414 11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.871 1.876 12.050 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.601 1.469 10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.591 4.076 11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.280 4.454 10.174 1.00 0.00 H new ATOM 67 N PHE A 5 5.075 -0.252 8.424 1.00 0.00 N ATOM 68 CA PHE A 5 6.487 -0.335 8.065 1.00 0.00 C ATOM 69 C PHE A 5 7.322 0.570 8.948 1.00 0.00 C ATOM 70 O PHE A 5 6.795 1.433 9.653 1.00 0.00 O ATOM 71 CB PHE A 5 6.720 0.086 6.620 1.00 0.00 C ATOM 72 CG PHE A 5 6.413 -0.961 5.587 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.558 -2.311 5.864 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.995 -0.583 4.323 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.292 -3.261 4.899 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.731 -1.530 3.355 1.00 0.00 C ATOM 77 CZ PHE A 5 5.879 -2.869 3.643 1.00 0.00 C ATOM 0 H PHE A 5 4.520 0.351 7.817 1.00 0.00 H new ATOM 0 HA PHE A 5 6.782 -1.376 8.199 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.111 0.966 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.762 0.386 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.883 -2.623 6.846 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.874 0.465 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.407 -4.310 5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.408 -1.222 2.372 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.672 -3.611 2.886 1.00 0.00 H new ATOM 87 N LYS A 6 8.635 0.381 8.887 1.00 0.00 N ATOM 88 CA LYS A 6 9.548 1.196 9.663 1.00 0.00 C ATOM 89 C LYS A 6 10.534 1.915 8.752 1.00 0.00 C ATOM 90 O LYS A 6 10.868 3.073 8.987 1.00 0.00 O ATOM 91 CB LYS A 6 10.318 0.338 10.670 1.00 0.00 C ATOM 92 CG LYS A 6 9.459 -0.672 11.416 1.00 0.00 C ATOM 93 CD LYS A 6 8.399 -0.004 12.285 1.00 0.00 C ATOM 94 CE LYS A 6 9.015 0.839 13.393 1.00 0.00 C ATOM 95 NZ LYS A 6 9.884 0.036 14.295 1.00 0.00 N ATOM 0 H LYS A 6 9.085 -0.328 8.309 1.00 0.00 H new ATOM 0 HA LYS A 6 8.957 1.935 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.111 -0.194 10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.800 0.994 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.973 -1.332 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.097 -1.296 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.764 0.625 11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.758 -0.768 12.725 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.600 1.645 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.221 1.305 13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.116 0.594 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.383 -0.830 14.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.761 -0.218 13.797 1.00 0.00 H new ATOM 109 N THR A 7 11.006 1.221 7.720 1.00 0.00 N ATOM 110 CA THR A 7 11.929 1.814 6.750 1.00 0.00 C ATOM 111 C THR A 7 11.663 1.281 5.345 1.00 0.00 C ATOM 112 O THR A 7 10.762 0.458 5.148 1.00 0.00 O ATOM 113 CB THR A 7 13.418 1.561 7.102 1.00 0.00 C ATOM 114 OG1 THR A 7 13.682 0.156 7.198 1.00 0.00 O ATOM 115 CG2 THR A 7 13.816 2.245 8.403 1.00 0.00 C ATOM 0 H THR A 7 10.766 0.248 7.532 1.00 0.00 H new ATOM 0 HA THR A 7 11.747 2.888 6.787 1.00 0.00 H new ATOM 0 HB THR A 7 14.015 1.988 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.200 -0.216 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.866 2.043 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.665 3.320 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.202 1.862 9.218 1.00 0.00 H new ATOM 123 N ALA A 8 12.438 1.743 4.371 1.00 0.00 N ATOM 124 CA ALA A 8 12.300 1.268 3.000 1.00 0.00 C ATOM 125 C ALA A 8 12.689 -0.200 2.892 1.00 0.00 C ATOM 126 O ALA A 8 12.200 -0.911 2.013 1.00 0.00 O ATOM 127 CB ALA A 8 13.131 2.109 2.048 1.00 0.00 C ATOM 0 H ALA A 8 13.167 2.444 4.505 1.00 0.00 H new ATOM 0 HA ALA A 8 11.252 1.366 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.011 1.734 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.799 3.146 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.181 2.052 2.334 1.00 0.00 H new ATOM 133 N SER A 9 13.560 -0.651 3.791 1.00 0.00 N ATOM 134 CA SER A 9 13.928 -2.057 3.849 1.00 0.00 C ATOM 135 C SER A 9 12.675 -2.897 4.061 1.00 0.00 C ATOM 136 O SER A 9 12.434 -3.858 3.330 1.00 0.00 O ATOM 137 CB SER A 9 14.937 -2.306 4.974 1.00 0.00 C ATOM 138 OG SER A 9 15.485 -3.612 4.901 1.00 0.00 O ATOM 0 H SER A 9 14.021 -0.063 4.486 1.00 0.00 H new ATOM 0 HA SER A 9 14.398 -2.342 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.739 -1.570 4.915 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.449 -2.168 5.939 1.00 0.00 H new ATOM 0 HG SER A 9 16.126 -3.739 5.631 1.00 0.00 H new ATOM 144 N GLU A 10 11.873 -2.512 5.056 1.00 0.00 N ATOM 145 CA GLU A 10 10.576 -3.117 5.290 1.00 0.00 C ATOM 146 C GLU A 10 9.733 -3.145 4.020 1.00 0.00 C ATOM 147 O GLU A 10 9.142 -4.173 3.685 1.00 0.00 O ATOM 148 CB GLU A 10 9.843 -2.336 6.373 1.00 0.00 C ATOM 149 CG GLU A 10 10.239 -2.712 7.784 1.00 0.00 C ATOM 150 CD GLU A 10 11.677 -2.404 8.111 1.00 0.00 C ATOM 151 OE1 GLU A 10 11.970 -1.241 8.435 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.516 -3.322 8.056 1.00 0.00 O ATOM 0 H GLU A 10 12.111 -1.773 5.717 1.00 0.00 H new ATOM 0 HA GLU A 10 10.734 -4.147 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.029 -1.272 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.771 -2.492 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.594 -2.183 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.062 -3.778 7.930 1.00 0.00 H new ATOM 159 N PHE A 11 9.690 -2.016 3.314 1.00 0.00 N ATOM 160 CA PHE A 11 8.890 -1.907 2.098 1.00 0.00 C ATOM 161 C PHE A 11 9.329 -2.959 1.087 1.00 0.00 C ATOM 162 O PHE A 11 8.547 -3.820 0.690 1.00 0.00 O ATOM 163 CB PHE A 11 9.009 -0.491 1.500 1.00 0.00 C ATOM 164 CG PHE A 11 8.080 -0.207 0.338 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.382 -0.657 -0.937 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.908 0.520 0.522 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.539 -0.394 -2.000 1.00 0.00 C ATOM 168 CE2 PHE A 11 6.060 0.788 -0.547 1.00 0.00 C ATOM 169 CZ PHE A 11 6.379 0.325 -1.802 1.00 0.00 C ATOM 0 H PHE A 11 10.198 -1.167 3.563 1.00 0.00 H new ATOM 0 HA PHE A 11 7.844 -2.083 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.815 0.237 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.036 -0.337 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.288 -1.221 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.654 0.881 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.789 -0.752 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.155 1.357 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.720 0.525 -2.634 1.00 0.00 H new ATOM 179 N ASP A 12 10.601 -2.909 0.726 1.00 0.00 N ATOM 180 CA ASP A 12 11.162 -3.787 -0.302 1.00 0.00 C ATOM 181 C ASP A 12 11.108 -5.255 0.117 1.00 0.00 C ATOM 182 O ASP A 12 10.866 -6.134 -0.711 1.00 0.00 O ATOM 183 CB ASP A 12 12.606 -3.381 -0.600 1.00 0.00 C ATOM 184 CG ASP A 12 13.232 -4.217 -1.701 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.919 -3.978 -2.886 1.00 0.00 O ATOM 186 OD2 ASP A 12 14.054 -5.104 -1.387 1.00 0.00 O ATOM 0 H ASP A 12 11.277 -2.262 1.133 1.00 0.00 H new ATOM 0 HA ASP A 12 10.557 -3.677 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.632 -2.330 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.201 -3.478 0.308 1.00 0.00 H new ATOM 191 N SER A 13 11.317 -5.521 1.402 1.00 0.00 N ATOM 192 CA SER A 13 11.277 -6.887 1.912 1.00 0.00 C ATOM 193 C SER A 13 9.875 -7.477 1.793 1.00 0.00 C ATOM 194 O SER A 13 9.716 -8.686 1.619 1.00 0.00 O ATOM 195 CB SER A 13 11.757 -6.933 3.363 1.00 0.00 C ATOM 196 OG SER A 13 13.122 -6.552 3.454 1.00 0.00 O ATOM 0 H SER A 13 11.515 -4.811 2.107 1.00 0.00 H new ATOM 0 HA SER A 13 11.950 -7.492 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.147 -6.267 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.628 -7.939 3.762 1.00 0.00 H new ATOM 0 HG SER A 13 13.191 -5.575 3.431 1.00 0.00 H new ATOM 202 N ALA A 14 8.859 -6.628 1.890 1.00 0.00 N ATOM 203 CA ALA A 14 7.495 -7.064 1.674 1.00 0.00 C ATOM 204 C ALA A 14 7.236 -7.234 0.184 1.00 0.00 C ATOM 205 O ALA A 14 6.520 -8.139 -0.236 1.00 0.00 O ATOM 206 CB ALA A 14 6.506 -6.078 2.279 1.00 0.00 C ATOM 0 H ALA A 14 8.958 -5.638 2.116 1.00 0.00 H new ATOM 0 HA ALA A 14 7.355 -8.024 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.489 -6.429 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.682 -5.998 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.638 -5.100 1.816 1.00 0.00 H new ATOM 212 N ILE A 15 7.850 -6.363 -0.606 1.00 0.00 N ATOM 213 CA ILE A 15 7.694 -6.380 -2.057 1.00 0.00 C ATOM 214 C ILE A 15 8.218 -7.677 -2.659 1.00 0.00 C ATOM 215 O ILE A 15 7.609 -8.242 -3.567 1.00 0.00 O ATOM 216 CB ILE A 15 8.445 -5.212 -2.723 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.988 -3.864 -2.188 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.266 -5.237 -4.222 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.491 -3.744 -1.997 1.00 0.00 C ATOM 0 H ILE A 15 8.468 -5.628 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 15 6.625 -6.287 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 15 9.500 -5.342 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.480 -3.680 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.319 -3.083 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.807 -4.402 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.656 -6.174 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.206 -5.153 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.252 -2.752 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.989 -3.894 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.153 -4.499 -1.287 1.00 0.00 H new ATOM 231 N ALA A 16 9.341 -8.151 -2.132 1.00 0.00 N ATOM 232 CA ALA A 16 10.047 -9.296 -2.705 1.00 0.00 C ATOM 233 C ALA A 16 9.317 -10.612 -2.459 1.00 0.00 C ATOM 234 O ALA A 16 9.801 -11.685 -2.826 1.00 0.00 O ATOM 235 CB ALA A 16 11.461 -9.358 -2.153 1.00 0.00 C ATOM 0 H ALA A 16 9.787 -7.758 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 16 10.083 -9.154 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.982 -10.213 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.993 -8.442 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.424 -9.464 -1.069 1.00 0.00 H new ATOM 241 N GLN A 17 8.154 -10.524 -1.846 1.00 0.00 N ATOM 242 CA GLN A 17 7.326 -11.677 -1.605 1.00 0.00 C ATOM 243 C GLN A 17 6.612 -12.086 -2.888 1.00 0.00 C ATOM 244 O GLN A 17 6.172 -11.234 -3.660 1.00 0.00 O ATOM 245 CB GLN A 17 6.330 -11.339 -0.509 1.00 0.00 C ATOM 246 CG GLN A 17 6.988 -11.158 0.850 1.00 0.00 C ATOM 247 CD GLN A 17 6.019 -10.752 1.947 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.002 -9.980 1.602 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 6.203 -11.109 3.109 1.00 0.00 N flip ATOM 0 H GLN A 17 7.760 -9.648 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 17 7.939 -12.519 -1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.800 -10.425 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.585 -12.132 -0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.476 -12.090 1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.769 -10.402 0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.998 -11.705 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.561 -10.809 3.842 1.00 0.00 H new ATOM 258 N ASP A 18 6.487 -13.388 -3.110 1.00 0.00 N ATOM 259 CA ASP A 18 5.932 -13.903 -4.361 1.00 0.00 C ATOM 260 C ASP A 18 4.402 -13.912 -4.327 1.00 0.00 C ATOM 261 O ASP A 18 3.750 -14.765 -4.928 1.00 0.00 O ATOM 262 CB ASP A 18 6.471 -15.309 -4.638 1.00 0.00 C ATOM 263 CG ASP A 18 6.249 -15.749 -6.072 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.837 -15.133 -6.983 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.487 -16.714 -6.301 1.00 0.00 O ATOM 0 H ASP A 18 6.761 -14.109 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 18 6.243 -13.240 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.538 -15.335 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.988 -16.018 -3.966 1.00 0.00 H new ATOM 270 N LYS A 19 3.835 -12.955 -3.617 1.00 0.00 N ATOM 271 CA LYS A 19 2.394 -12.787 -3.565 1.00 0.00 C ATOM 272 C LYS A 19 2.050 -11.311 -3.673 1.00 0.00 C ATOM 273 O LYS A 19 2.946 -10.473 -3.783 1.00 0.00 O ATOM 274 CB LYS A 19 1.791 -13.399 -2.291 1.00 0.00 C ATOM 275 CG LYS A 19 2.528 -13.062 -1.003 1.00 0.00 C ATOM 276 CD LYS A 19 3.475 -14.181 -0.597 1.00 0.00 C ATOM 277 CE LYS A 19 3.982 -13.995 0.824 1.00 0.00 C ATOM 278 NZ LYS A 19 4.815 -15.143 1.270 1.00 0.00 N ATOM 0 H LYS A 19 4.356 -12.276 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 19 1.957 -13.321 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.758 -13.064 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.765 -14.483 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.090 -12.137 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.807 -12.886 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.963 -15.140 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.320 -14.211 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.567 -13.077 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.135 -13.877 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.141 -14.978 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.250 -16.015 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.638 -15.240 0.641 1.00 0.00 H new ATOM 292 N LEU A 20 0.766 -10.994 -3.654 1.00 0.00 N ATOM 293 CA LEU A 20 0.323 -9.627 -3.860 1.00 0.00 C ATOM 294 C LEU A 20 0.564 -8.790 -2.609 1.00 0.00 C ATOM 295 O LEU A 20 -0.001 -9.053 -1.545 1.00 0.00 O ATOM 296 CB LEU A 20 -1.159 -9.608 -4.256 1.00 0.00 C ATOM 297 CG LEU A 20 -1.654 -8.338 -4.963 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.707 -7.154 -4.020 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.762 -8.015 -6.142 1.00 0.00 C ATOM 0 H LEU A 20 0.013 -11.665 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 20 0.903 -9.189 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.351 -10.460 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.756 -9.754 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.667 -8.532 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.062 -6.275 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.387 -7.374 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.710 -6.959 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.123 -7.113 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.258 -7.854 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.777 -8.845 -6.848 1.00 0.00 H new ATOM 311 N VAL A 21 1.410 -7.784 -2.754 1.00 0.00 N ATOM 312 CA VAL A 21 1.719 -6.876 -1.669 1.00 0.00 C ATOM 313 C VAL A 21 0.979 -5.566 -1.870 1.00 0.00 C ATOM 314 O VAL A 21 1.177 -4.891 -2.878 1.00 0.00 O ATOM 315 CB VAL A 21 3.227 -6.564 -1.602 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.641 -6.212 -0.182 1.00 0.00 C ATOM 317 CG2 VAL A 21 4.052 -7.718 -2.154 1.00 0.00 C ATOM 0 H VAL A 21 1.899 -7.576 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 21 1.412 -7.361 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 21 3.422 -5.695 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.709 -5.995 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.085 -5.336 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.426 -7.052 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.112 -7.469 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.857 -8.617 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.779 -7.895 -3.194 1.00 0.00 H new ATOM 327 N VAL A 22 0.119 -5.210 -0.932 1.00 0.00 N ATOM 328 CA VAL A 22 -0.563 -3.929 -0.993 1.00 0.00 C ATOM 329 C VAL A 22 0.017 -3.004 0.050 1.00 0.00 C ATOM 330 O VAL A 22 -0.131 -3.239 1.253 1.00 0.00 O ATOM 331 CB VAL A 22 -2.075 -4.046 -0.747 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.772 -2.736 -1.085 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.666 -5.194 -1.538 1.00 0.00 C ATOM 0 H VAL A 22 -0.123 -5.785 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.416 -3.539 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.234 -4.255 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.842 -2.836 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.372 -1.939 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.602 -2.493 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.737 -5.255 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.497 -5.028 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.190 -6.127 -1.236 1.00 0.00 H new ATOM 343 N VAL A 23 0.693 -1.968 -0.396 1.00 0.00 N ATOM 344 CA VAL A 23 1.294 -1.040 0.529 1.00 0.00 C ATOM 345 C VAL A 23 0.524 0.263 0.561 1.00 0.00 C ATOM 346 O VAL A 23 0.338 0.933 -0.457 1.00 0.00 O ATOM 347 CB VAL A 23 2.771 -0.773 0.222 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.381 0.067 1.327 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.518 -2.084 0.076 1.00 0.00 C ATOM 0 H VAL A 23 0.838 -1.751 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 23 1.248 -1.509 1.512 1.00 0.00 H new ATOM 0 HB VAL A 23 2.849 -0.226 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.431 0.254 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.850 1.016 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.300 -0.465 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.567 -1.883 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.443 -2.651 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.082 -2.662 -0.739 1.00 0.00 H new ATOM 359 N ALA A 24 0.076 0.589 1.750 1.00 0.00 N ATOM 360 CA ALA A 24 -0.737 1.762 1.995 1.00 0.00 C ATOM 361 C ALA A 24 0.131 2.961 2.349 1.00 0.00 C ATOM 362 O ALA A 24 0.551 3.110 3.499 1.00 0.00 O ATOM 363 CB ALA A 24 -1.681 1.478 3.146 1.00 0.00 C ATOM 0 H ALA A 24 0.267 0.040 2.588 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.297 1.993 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.297 2.357 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.322 0.634 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.104 1.239 4.039 1.00 0.00 H new ATOM 369 N PHE A 25 0.422 3.806 1.380 1.00 0.00 N ATOM 370 CA PHE A 25 1.211 4.993 1.659 1.00 0.00 C ATOM 371 C PHE A 25 0.353 6.225 1.885 1.00 0.00 C ATOM 372 O PHE A 25 -0.471 6.603 1.049 1.00 0.00 O ATOM 373 CB PHE A 25 2.233 5.239 0.563 1.00 0.00 C ATOM 374 CG PHE A 25 3.602 4.823 0.990 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.835 3.527 1.396 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.644 5.729 1.015 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.084 3.133 1.816 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.897 5.344 1.438 1.00 0.00 C ATOM 379 CZ PHE A 25 6.115 4.042 1.836 1.00 0.00 C ATOM 0 H PHE A 25 0.131 3.698 0.408 1.00 0.00 H new ATOM 0 HA PHE A 25 1.742 4.803 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.947 4.688 -0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.238 6.297 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.026 2.811 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.475 6.748 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.254 2.113 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.706 6.059 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.097 3.736 2.164 1.00 0.00 H new ATOM 389 N TYR A 26 0.563 6.840 3.037 1.00 0.00 N ATOM 390 CA TYR A 26 -0.143 8.048 3.425 1.00 0.00 C ATOM 391 C TYR A 26 0.705 8.823 4.420 1.00 0.00 C ATOM 392 O TYR A 26 1.666 8.288 4.959 1.00 0.00 O ATOM 393 CB TYR A 26 -1.497 7.696 4.050 1.00 0.00 C ATOM 394 CG TYR A 26 -1.399 6.768 5.249 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.163 7.263 6.528 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.540 5.397 5.099 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.070 6.415 7.615 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.450 4.543 6.177 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.213 5.055 7.434 1.00 0.00 C ATOM 400 OH TYR A 26 -1.116 4.206 8.515 1.00 0.00 O ATOM 0 H TYR A 26 1.233 6.512 3.733 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.321 8.661 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.996 8.616 4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.126 7.229 3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.051 8.327 6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.724 4.989 4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.886 6.815 8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.565 3.478 6.037 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.014 3.955 8.816 1.00 0.00 H new ATOM 410 N ALA A 27 0.365 10.076 4.657 1.00 0.00 N ATOM 411 CA ALA A 27 1.074 10.867 5.649 1.00 0.00 C ATOM 412 C ALA A 27 0.127 11.288 6.757 1.00 0.00 C ATOM 413 O ALA A 27 -1.027 11.632 6.501 1.00 0.00 O ATOM 414 CB ALA A 27 1.715 12.082 5.007 1.00 0.00 C ATOM 0 H ALA A 27 -0.392 10.567 4.181 1.00 0.00 H new ATOM 0 HA ALA A 27 1.865 10.253 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.241 12.660 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.422 11.759 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.944 12.701 4.549 1.00 0.00 H new ATOM 420 N THR A 28 0.626 11.255 7.983 1.00 0.00 N ATOM 421 CA THR A 28 -0.180 11.548 9.161 1.00 0.00 C ATOM 422 C THR A 28 -0.661 13.000 9.200 1.00 0.00 C ATOM 423 O THR A 28 -1.621 13.317 9.904 1.00 0.00 O ATOM 424 CB THR A 28 0.599 11.227 10.449 1.00 0.00 C ATOM 425 OG1 THR A 28 1.960 11.663 10.318 1.00 0.00 O ATOM 426 CG2 THR A 28 0.557 9.734 10.745 1.00 0.00 C ATOM 0 H THR A 28 1.598 11.025 8.191 1.00 0.00 H new ATOM 0 HA THR A 28 -1.061 10.910 9.097 1.00 0.00 H new ATOM 0 HB THR A 28 0.130 11.756 11.279 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.562 10.905 10.471 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.114 9.529 11.659 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.478 9.417 10.871 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.006 9.186 9.916 1.00 0.00 H new ATOM 434 N TRP A 29 -0.001 13.880 8.449 1.00 0.00 N ATOM 435 CA TRP A 29 -0.431 15.272 8.372 1.00 0.00 C ATOM 436 C TRP A 29 -1.588 15.417 7.386 1.00 0.00 C ATOM 437 O TRP A 29 -2.329 16.402 7.416 1.00 0.00 O ATOM 438 CB TRP A 29 0.733 16.202 7.975 1.00 0.00 C ATOM 439 CG TRP A 29 1.287 15.975 6.593 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.429 15.301 6.269 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.736 16.442 5.351 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.615 15.312 4.907 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.589 16.003 4.322 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.400 17.182 5.009 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.344 16.282 2.980 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.644 17.454 3.679 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.222 17.005 2.676 1.00 0.00 C ATOM 0 H TRP A 29 0.824 13.656 7.892 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.771 15.570 9.364 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.394 17.235 8.049 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.539 16.079 8.698 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.090 14.828 6.980 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.393 14.875 4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.076 17.535 5.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.015 15.940 2.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.520 18.024 3.407 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.001 17.233 1.644 1.00 0.00 H new ATOM 458 N CYS A 30 -1.742 14.422 6.524 1.00 0.00 N ATOM 459 CA CYS A 30 -2.738 14.458 5.466 1.00 0.00 C ATOM 460 C CYS A 30 -4.094 14.012 6.008 1.00 0.00 C ATOM 461 O CYS A 30 -4.178 13.106 6.834 1.00 0.00 O ATOM 462 CB CYS A 30 -2.289 13.547 4.318 1.00 0.00 C ATOM 463 SG CYS A 30 -3.323 13.629 2.840 1.00 0.00 S ATOM 0 H CYS A 30 -1.181 13.570 6.539 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.839 15.477 5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.267 13.808 4.044 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.271 12.517 4.675 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.299 12.482 2.229 1.00 0.00 H new ATOM 469 N GLY A 31 -5.150 14.664 5.539 1.00 0.00 N ATOM 470 CA GLY A 31 -6.495 14.362 5.997 1.00 0.00 C ATOM 471 C GLY A 31 -7.062 13.072 5.417 1.00 0.00 C ATOM 472 O GLY A 31 -7.488 12.195 6.171 1.00 0.00 O ATOM 0 H GLY A 31 -5.098 15.406 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.492 14.291 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.154 15.189 5.733 1.00 0.00 H new ATOM 476 N PRO A 32 -7.101 12.923 4.077 1.00 0.00 N ATOM 477 CA PRO A 32 -7.644 11.717 3.426 1.00 0.00 C ATOM 478 C PRO A 32 -6.833 10.440 3.690 1.00 0.00 C ATOM 479 O PRO A 32 -7.144 9.385 3.139 1.00 0.00 O ATOM 480 CB PRO A 32 -7.614 12.064 1.933 1.00 0.00 C ATOM 481 CG PRO A 32 -6.599 13.144 1.807 1.00 0.00 C ATOM 482 CD PRO A 32 -6.674 13.927 3.086 1.00 0.00 C ATOM 0 HA PRO A 32 -8.635 11.487 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.343 11.196 1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.592 12.399 1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.602 12.728 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.809 13.779 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.710 14.364 3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.387 14.748 3.013 1.00 0.00 H new ATOM 490 N CYS A 33 -5.807 10.523 4.535 1.00 0.00 N ATOM 491 CA CYS A 33 -5.028 9.340 4.900 1.00 0.00 C ATOM 492 C CYS A 33 -5.917 8.351 5.647 1.00 0.00 C ATOM 493 O CYS A 33 -5.741 7.130 5.566 1.00 0.00 O ATOM 494 CB CYS A 33 -3.830 9.721 5.778 1.00 0.00 C ATOM 495 SG CYS A 33 -4.269 10.299 7.435 1.00 0.00 S ATOM 0 H CYS A 33 -5.497 11.389 4.977 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.652 8.880 3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.174 8.856 5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.260 10.501 5.274 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.404 11.592 7.422 1.00 0.00 H new ATOM 501 N LYS A 34 -6.901 8.901 6.346 1.00 0.00 N ATOM 502 CA LYS A 34 -7.836 8.108 7.120 1.00 0.00 C ATOM 503 C LYS A 34 -8.749 7.290 6.219 1.00 0.00 C ATOM 504 O LYS A 34 -9.483 6.437 6.704 1.00 0.00 O ATOM 505 CB LYS A 34 -8.674 9.006 8.029 1.00 0.00 C ATOM 506 CG LYS A 34 -7.871 9.724 9.106 1.00 0.00 C ATOM 507 CD LYS A 34 -7.327 8.756 10.149 1.00 0.00 C ATOM 508 CE LYS A 34 -8.446 8.073 10.925 1.00 0.00 C ATOM 509 NZ LYS A 34 -7.925 7.166 11.983 1.00 0.00 N ATOM 0 H LYS A 34 -7.070 9.906 6.390 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.255 7.419 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.185 9.749 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.445 8.402 8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.044 10.262 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.502 10.467 9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.712 8.002 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.680 9.294 10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.085 8.830 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.069 7.504 10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.722 6.724 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.337 6.427 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.352 7.712 12.657 1.00 0.00 H new ATOM 523 N MET A 35 -8.708 7.542 4.911 1.00 0.00 N ATOM 524 CA MET A 35 -9.508 6.760 3.980 1.00 0.00 C ATOM 525 C MET A 35 -8.797 5.442 3.724 1.00 0.00 C ATOM 526 O MET A 35 -9.419 4.389 3.583 1.00 0.00 O ATOM 527 CB MET A 35 -9.701 7.510 2.662 1.00 0.00 C ATOM 528 CG MET A 35 -11.104 7.383 2.073 1.00 0.00 C ATOM 529 SD MET A 35 -11.703 5.679 2.002 1.00 0.00 S ATOM 530 CE MET A 35 -13.059 5.836 0.842 1.00 0.00 C ATOM 0 H MET A 35 -8.138 8.270 4.481 1.00 0.00 H new ATOM 0 HA MET A 35 -10.493 6.583 4.412 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.479 8.565 2.821 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.978 7.138 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.795 7.978 2.669 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.107 7.803 1.067 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.539 4.866 0.710 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.786 6.552 1.227 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.678 6.186 -0.118 1.00 0.00 H new ATOM 540 N ILE A 36 -7.475 5.511 3.706 1.00 0.00 N ATOM 541 CA ILE A 36 -6.654 4.343 3.460 1.00 0.00 C ATOM 542 C ILE A 36 -6.624 3.448 4.684 1.00 0.00 C ATOM 543 O ILE A 36 -6.453 2.236 4.574 1.00 0.00 O ATOM 544 CB ILE A 36 -5.223 4.767 3.046 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.057 4.652 1.534 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.155 3.960 3.764 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.184 5.295 0.767 1.00 0.00 C ATOM 0 H ILE A 36 -6.948 6.371 3.860 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.091 3.776 2.638 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.091 5.807 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.115 5.115 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.993 3.599 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.169 4.293 3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.252 4.104 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.277 2.903 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.008 5.180 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.126 4.815 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.234 6.355 1.014 1.00 0.00 H new ATOM 559 N ALA A 37 -6.839 4.046 5.843 1.00 0.00 N ATOM 560 CA ALA A 37 -6.914 3.284 7.078 1.00 0.00 C ATOM 561 C ALA A 37 -7.957 2.150 6.991 1.00 0.00 C ATOM 562 O ALA A 37 -7.577 0.982 7.007 1.00 0.00 O ATOM 563 CB ALA A 37 -7.163 4.206 8.266 1.00 0.00 C ATOM 0 H ALA A 37 -6.964 5.052 5.955 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.949 2.801 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.216 3.615 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.348 4.925 8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.104 4.738 8.123 1.00 0.00 H new ATOM 569 N PRO A 38 -9.277 2.432 6.865 1.00 0.00 N ATOM 570 CA PRO A 38 -10.281 1.370 6.888 1.00 0.00 C ATOM 571 C PRO A 38 -10.483 0.674 5.544 1.00 0.00 C ATOM 572 O PRO A 38 -10.825 -0.501 5.515 1.00 0.00 O ATOM 573 CB PRO A 38 -11.545 2.117 7.291 1.00 0.00 C ATOM 574 CG PRO A 38 -11.387 3.452 6.660 1.00 0.00 C ATOM 575 CD PRO A 38 -9.908 3.749 6.686 1.00 0.00 C ATOM 0 HA PRO A 38 -9.988 0.562 7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.441 1.609 6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.635 2.195 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.767 3.449 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.947 4.211 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.581 4.224 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.652 4.427 7.500 1.00 0.00 H new ATOM 583 N MET A 39 -10.268 1.380 4.432 1.00 0.00 N ATOM 584 CA MET A 39 -10.537 0.806 3.119 1.00 0.00 C ATOM 585 C MET A 39 -9.500 -0.255 2.798 1.00 0.00 C ATOM 586 O MET A 39 -9.793 -1.276 2.174 1.00 0.00 O ATOM 587 CB MET A 39 -10.559 1.926 2.064 1.00 0.00 C ATOM 588 CG MET A 39 -10.577 1.462 0.612 1.00 0.00 C ATOM 589 SD MET A 39 -8.953 0.966 -0.001 1.00 0.00 S ATOM 590 CE MET A 39 -7.922 2.265 0.677 1.00 0.00 C ATOM 0 H MET A 39 -9.913 2.336 4.416 1.00 0.00 H new ATOM 0 HA MET A 39 -11.514 0.322 3.115 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.437 2.548 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.684 2.559 2.214 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.266 0.623 0.515 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.964 2.266 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.121 2.497 -0.024 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.525 3.157 0.847 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.492 1.933 1.622 1.00 0.00 H new ATOM 600 N ILE A 40 -8.296 -0.026 3.278 1.00 0.00 N ATOM 601 CA ILE A 40 -7.203 -0.936 3.041 1.00 0.00 C ATOM 602 C ILE A 40 -7.211 -2.072 4.053 1.00 0.00 C ATOM 603 O ILE A 40 -6.893 -3.211 3.729 1.00 0.00 O ATOM 604 CB ILE A 40 -5.876 -0.164 3.037 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.478 0.136 1.602 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.766 -0.893 3.776 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.352 1.124 1.487 1.00 0.00 C ATOM 0 H ILE A 40 -8.052 0.790 3.839 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.323 -1.396 2.060 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.028 0.769 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.187 -0.793 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.345 0.521 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.853 -0.299 3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.059 -1.044 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.589 -1.860 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.120 1.291 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.647 2.067 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.471 0.732 1.995 1.00 0.00 H new ATOM 619 N GLU A 41 -7.607 -1.784 5.274 1.00 0.00 N ATOM 620 CA GLU A 41 -7.820 -2.855 6.229 1.00 0.00 C ATOM 621 C GLU A 41 -9.037 -3.680 5.809 1.00 0.00 C ATOM 622 O GLU A 41 -9.188 -4.842 6.194 1.00 0.00 O ATOM 623 CB GLU A 41 -7.960 -2.303 7.651 1.00 0.00 C ATOM 624 CG GLU A 41 -6.671 -1.663 8.149 1.00 0.00 C ATOM 625 CD GLU A 41 -6.645 -1.429 9.641 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.522 -0.705 10.149 1.00 0.00 O ATOM 627 OE2 GLU A 41 -5.737 -1.969 10.311 1.00 0.00 O ATOM 0 H GLU A 41 -7.785 -0.843 5.625 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.950 -3.512 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.763 -1.566 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.247 -3.110 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.830 -2.301 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.528 -0.711 7.638 1.00 0.00 H new ATOM 634 N LYS A 42 -9.880 -3.076 4.977 1.00 0.00 N ATOM 635 CA LYS A 42 -11.067 -3.734 4.461 1.00 0.00 C ATOM 636 C LYS A 42 -10.725 -4.732 3.351 1.00 0.00 C ATOM 637 O LYS A 42 -11.328 -5.808 3.290 1.00 0.00 O ATOM 638 CB LYS A 42 -12.073 -2.701 3.940 1.00 0.00 C ATOM 639 CG LYS A 42 -13.400 -3.302 3.502 1.00 0.00 C ATOM 640 CD LYS A 42 -14.161 -3.876 4.685 1.00 0.00 C ATOM 641 CE LYS A 42 -15.414 -4.612 4.242 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.194 -5.122 5.400 1.00 0.00 N ATOM 0 H LYS A 42 -9.757 -2.120 4.645 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.515 -4.287 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.259 -1.963 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.630 -2.169 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.005 -2.538 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.222 -4.086 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.515 -4.558 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.434 -3.071 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.038 -3.943 3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.137 -5.445 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.032 -5.633 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.601 -5.767 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.495 -4.324 5.995 1.00 0.00 H new ATOM 656 N PHE A 43 -9.771 -4.394 2.470 1.00 0.00 N ATOM 657 CA PHE A 43 -9.446 -5.297 1.361 1.00 0.00 C ATOM 658 C PHE A 43 -9.031 -6.672 1.898 1.00 0.00 C ATOM 659 O PHE A 43 -9.544 -7.694 1.446 1.00 0.00 O ATOM 660 CB PHE A 43 -8.384 -4.715 0.372 1.00 0.00 C ATOM 661 CG PHE A 43 -6.929 -4.753 0.800 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.246 -5.955 0.940 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.240 -3.580 1.035 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.921 -5.982 1.322 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.911 -3.601 1.416 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.253 -4.804 1.563 1.00 0.00 C ATOM 0 H PHE A 43 -9.228 -3.531 2.501 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.355 -5.411 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.471 -5.256 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.647 -3.677 0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.762 -6.884 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.746 -2.633 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.409 -6.926 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.388 -2.674 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.217 -4.821 1.866 1.00 0.00 H new ATOM 676 N SER A 44 -8.151 -6.707 2.897 1.00 0.00 N ATOM 677 CA SER A 44 -7.665 -7.973 3.411 1.00 0.00 C ATOM 678 C SER A 44 -8.625 -8.535 4.448 1.00 0.00 C ATOM 679 O SER A 44 -8.552 -9.709 4.801 1.00 0.00 O ATOM 680 CB SER A 44 -6.269 -7.814 3.989 1.00 0.00 C ATOM 681 OG SER A 44 -6.267 -6.917 5.088 1.00 0.00 O ATOM 0 H SER A 44 -7.768 -5.881 3.358 1.00 0.00 H new ATOM 0 HA SER A 44 -7.610 -8.682 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.892 -8.786 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.592 -7.448 3.217 1.00 0.00 H new ATOM 0 HG SER A 44 -5.409 -6.978 5.558 1.00 0.00 H new ATOM 687 N GLU A 45 -9.526 -7.692 4.941 1.00 0.00 N ATOM 688 CA GLU A 45 -10.621 -8.164 5.773 1.00 0.00 C ATOM 689 C GLU A 45 -11.479 -9.130 4.959 1.00 0.00 C ATOM 690 O GLU A 45 -12.094 -10.052 5.496 1.00 0.00 O ATOM 691 CB GLU A 45 -11.462 -6.985 6.266 1.00 0.00 C ATOM 692 CG GLU A 45 -12.524 -7.369 7.276 1.00 0.00 C ATOM 693 CD GLU A 45 -13.345 -6.183 7.730 1.00 0.00 C ATOM 694 OE1 GLU A 45 -12.877 -5.429 8.609 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.470 -6.004 7.223 1.00 0.00 O ATOM 0 H GLU A 45 -9.518 -6.685 4.779 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.221 -8.680 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.802 -6.242 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.943 -6.511 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.184 -8.118 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.048 -7.831 8.141 1.00 0.00 H new ATOM 702 N GLN A 46 -11.497 -8.911 3.648 1.00 0.00 N ATOM 703 CA GLN A 46 -12.181 -9.795 2.729 1.00 0.00 C ATOM 704 C GLN A 46 -11.254 -10.930 2.310 1.00 0.00 C ATOM 705 O GLN A 46 -11.664 -12.087 2.225 1.00 0.00 O ATOM 706 CB GLN A 46 -12.642 -9.022 1.492 1.00 0.00 C ATOM 707 CG GLN A 46 -13.621 -7.894 1.785 1.00 0.00 C ATOM 708 CD GLN A 46 -15.069 -8.352 1.872 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.981 -7.600 1.537 1.00 0.00 O ATOM 710 NE2 GLN A 46 -15.296 -9.580 2.313 1.00 0.00 N ATOM 0 H GLN A 46 -11.038 -8.118 3.201 1.00 0.00 H new ATOM 0 HA GLN A 46 -13.054 -10.211 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.767 -8.607 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.108 -9.719 0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.342 -7.417 2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.534 -7.137 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.515 -10.178 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.252 -9.928 2.383 1.00 0.00 H new ATOM 719 N TYR A 47 -10.003 -10.588 2.040 1.00 0.00 N ATOM 720 CA TYR A 47 -9.020 -11.566 1.611 1.00 0.00 C ATOM 721 C TYR A 47 -7.659 -11.347 2.274 1.00 0.00 C ATOM 722 O TYR A 47 -6.813 -10.613 1.770 1.00 0.00 O ATOM 723 CB TYR A 47 -8.895 -11.548 0.089 1.00 0.00 C ATOM 724 CG TYR A 47 -8.878 -10.166 -0.531 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.726 -9.385 -0.543 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.027 -9.648 -1.111 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.729 -8.130 -1.119 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.032 -8.396 -1.685 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.882 -7.648 -1.686 1.00 0.00 C ATOM 730 OH TYR A 47 -8.889 -6.402 -2.244 1.00 0.00 O ATOM 0 H TYR A 47 -9.645 -9.635 2.112 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.369 -12.549 1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.979 -12.068 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.725 -12.111 -0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.819 -9.765 -0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.933 -10.236 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.830 -7.532 -1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.935 -8.006 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.104 -6.472 -3.198 1.00 0.00 H new ATOM 740 N PRO A 48 -7.416 -11.997 3.417 1.00 0.00 N ATOM 741 CA PRO A 48 -6.136 -11.893 4.125 1.00 0.00 C ATOM 742 C PRO A 48 -5.006 -12.584 3.358 1.00 0.00 C ATOM 743 O PRO A 48 -3.861 -12.621 3.806 1.00 0.00 O ATOM 744 CB PRO A 48 -6.404 -12.579 5.460 1.00 0.00 C ATOM 745 CG PRO A 48 -7.502 -13.545 5.173 1.00 0.00 C ATOM 746 CD PRO A 48 -8.359 -12.893 4.120 1.00 0.00 C ATOM 0 HA PRO A 48 -5.806 -10.860 4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.514 -13.089 5.829 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.699 -11.859 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.103 -14.496 4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.081 -13.757 6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.794 -13.629 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.186 -12.338 4.562 1.00 0.00 H new ATOM 754 N GLN A 49 -5.357 -13.130 2.196 1.00 0.00 N ATOM 755 CA GLN A 49 -4.416 -13.826 1.325 1.00 0.00 C ATOM 756 C GLN A 49 -3.336 -12.881 0.807 1.00 0.00 C ATOM 757 O GLN A 49 -2.240 -13.309 0.443 1.00 0.00 O ATOM 758 CB GLN A 49 -5.178 -14.414 0.135 1.00 0.00 C ATOM 759 CG GLN A 49 -4.284 -15.053 -0.915 1.00 0.00 C ATOM 760 CD GLN A 49 -4.710 -14.723 -2.332 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.154 -13.495 -2.553 1.00 0.00 O flip ATOM 762 NE2 GLN A 49 -4.592 -15.549 -3.234 1.00 0.00 N flip ATOM 0 H GLN A 49 -6.309 -13.101 1.831 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.934 -14.616 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.883 -15.161 0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.765 -13.624 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.257 -14.720 -0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.291 -16.135 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.246 -16.486 -3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.840 -15.298 -4.191 1.00 0.00 H new ATOM 771 N ALA A 50 -3.633 -11.597 0.799 1.00 0.00 N ATOM 772 CA ALA A 50 -2.697 -10.617 0.285 1.00 0.00 C ATOM 773 C ALA A 50 -1.977 -9.956 1.439 1.00 0.00 C ATOM 774 O ALA A 50 -2.453 -9.997 2.574 1.00 0.00 O ATOM 775 CB ALA A 50 -3.428 -9.586 -0.549 1.00 0.00 C ATOM 0 H ALA A 50 -4.512 -11.209 1.141 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.964 -11.113 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.715 -8.855 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.924 -10.079 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.172 -9.081 0.067 1.00 0.00 H new ATOM 781 N ASP A 51 -0.833 -9.354 1.165 1.00 0.00 N ATOM 782 CA ASP A 51 -0.038 -8.784 2.231 1.00 0.00 C ATOM 783 C ASP A 51 -0.399 -7.340 2.469 1.00 0.00 C ATOM 784 O ASP A 51 -0.384 -6.515 1.556 1.00 0.00 O ATOM 785 CB ASP A 51 1.463 -8.923 1.978 1.00 0.00 C ATOM 786 CG ASP A 51 1.967 -10.321 2.266 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.881 -11.190 1.378 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.449 -10.560 3.396 1.00 0.00 O ATOM 0 H ASP A 51 -0.441 -9.249 0.229 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.271 -9.355 3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.680 -8.668 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.002 -8.209 2.601 1.00 0.00 H new ATOM 793 N PHE A 52 -0.721 -7.056 3.716 1.00 0.00 N ATOM 794 CA PHE A 52 -1.191 -5.749 4.122 1.00 0.00 C ATOM 795 C PHE A 52 -0.102 -4.980 4.854 1.00 0.00 C ATOM 796 O PHE A 52 0.319 -5.364 5.947 1.00 0.00 O ATOM 797 CB PHE A 52 -2.422 -5.907 5.022 1.00 0.00 C ATOM 798 CG PHE A 52 -2.436 -7.182 5.828 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.742 -7.277 7.024 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.148 -8.286 5.384 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.756 -8.447 7.759 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.166 -9.458 6.116 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.470 -9.539 7.305 1.00 0.00 C ATOM 0 H PHE A 52 -0.663 -7.730 4.479 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.460 -5.182 3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.472 -5.058 5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.318 -5.871 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.184 -6.426 7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.695 -8.229 4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.209 -8.508 8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.724 -10.310 5.758 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.484 -10.454 7.879 1.00 0.00 H new ATOM 813 N TYR A 53 0.346 -3.889 4.256 1.00 0.00 N ATOM 814 CA TYR A 53 1.356 -3.048 4.874 1.00 0.00 C ATOM 815 C TYR A 53 1.079 -1.587 4.597 1.00 0.00 C ATOM 816 O TYR A 53 0.483 -1.243 3.585 1.00 0.00 O ATOM 817 CB TYR A 53 2.755 -3.412 4.378 1.00 0.00 C ATOM 818 CG TYR A 53 3.197 -4.819 4.708 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.629 -5.147 5.985 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.195 -5.814 3.739 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.046 -6.426 6.290 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.610 -7.099 4.035 1.00 0.00 C ATOM 823 CZ TYR A 53 4.035 -7.399 5.313 1.00 0.00 C ATOM 824 OH TYR A 53 4.451 -8.675 5.618 1.00 0.00 O ATOM 0 H TYR A 53 0.026 -3.565 3.343 1.00 0.00 H new ATOM 0 HA TYR A 53 1.314 -3.219 5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.788 -3.280 3.297 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.471 -2.711 4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.639 -4.388 6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.864 -5.580 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.380 -6.664 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.602 -7.863 3.271 1.00 0.00 H new ATOM 0 HH TYR A 53 4.381 -9.241 4.821 1.00 0.00 H new ATOM 834 N LYS A 54 1.503 -0.737 5.515 1.00 0.00 N ATOM 835 CA LYS A 54 1.232 0.683 5.430 1.00 0.00 C ATOM 836 C LYS A 54 2.359 1.479 6.084 1.00 0.00 C ATOM 837 O LYS A 54 3.106 0.935 6.900 1.00 0.00 O ATOM 838 CB LYS A 54 -0.111 0.965 6.097 1.00 0.00 C ATOM 839 CG LYS A 54 -0.128 0.738 7.598 1.00 0.00 C ATOM 840 CD LYS A 54 -1.517 0.966 8.174 1.00 0.00 C ATOM 841 CE LYS A 54 -1.537 0.748 9.674 1.00 0.00 C ATOM 842 NZ LYS A 54 -2.887 0.981 10.250 1.00 0.00 N ATOM 0 H LYS A 54 2.042 -1.012 6.336 1.00 0.00 H new ATOM 0 HA LYS A 54 1.181 0.993 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.393 1.998 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.870 0.332 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.197 -0.279 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.582 1.411 8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.844 1.981 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.226 0.289 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.218 -0.270 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.820 1.418 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.858 0.822 11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.181 1.960 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.567 0.324 9.817 1.00 0.00 H new ATOM 856 N LEU A 55 2.487 2.754 5.729 1.00 0.00 N ATOM 857 CA LEU A 55 3.580 3.571 6.233 1.00 0.00 C ATOM 858 C LEU A 55 3.212 5.056 6.200 1.00 0.00 C ATOM 859 O LEU A 55 2.403 5.483 5.374 1.00 0.00 O ATOM 860 CB LEU A 55 4.840 3.289 5.397 1.00 0.00 C ATOM 861 CG LEU A 55 6.055 4.177 5.675 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.344 3.410 5.417 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.000 5.412 4.794 1.00 0.00 C ATOM 0 H LEU A 55 1.850 3.240 5.098 1.00 0.00 H new ATOM 0 HA LEU A 55 3.777 3.314 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.132 2.251 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.580 3.387 4.343 1.00 0.00 H new ATOM 0 HG LEU A 55 6.036 4.481 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.198 4.056 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.385 2.538 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.373 3.086 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.867 6.041 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.005 5.112 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.089 5.971 5.007 1.00 0.00 H new ATOM 875 N ASP A 56 3.809 5.826 7.109 1.00 0.00 N ATOM 876 CA ASP A 56 3.602 7.272 7.164 1.00 0.00 C ATOM 877 C ASP A 56 4.709 8.008 6.410 1.00 0.00 C ATOM 878 O ASP A 56 5.875 7.998 6.817 1.00 0.00 O ATOM 879 CB ASP A 56 3.554 7.751 8.620 1.00 0.00 C ATOM 880 CG ASP A 56 3.446 9.262 8.745 1.00 0.00 C ATOM 881 OD1 ASP A 56 2.994 9.924 7.787 1.00 0.00 O ATOM 882 OD2 ASP A 56 3.809 9.797 9.811 1.00 0.00 O ATOM 0 H ASP A 56 4.445 5.469 7.822 1.00 0.00 H new ATOM 0 HA ASP A 56 2.648 7.495 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.703 7.289 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.451 7.412 9.138 1.00 0.00 H new ATOM 887 N VAL A 57 4.325 8.650 5.310 1.00 0.00 N ATOM 888 CA VAL A 57 5.256 9.377 4.448 1.00 0.00 C ATOM 889 C VAL A 57 5.915 10.532 5.198 1.00 0.00 C ATOM 890 O VAL A 57 7.035 10.935 4.881 1.00 0.00 O ATOM 891 CB VAL A 57 4.534 9.943 3.204 1.00 0.00 C ATOM 892 CG1 VAL A 57 5.517 10.603 2.246 1.00 0.00 C ATOM 893 CG2 VAL A 57 3.745 8.853 2.499 1.00 0.00 C ATOM 0 H VAL A 57 3.357 8.682 4.989 1.00 0.00 H new ATOM 0 HA VAL A 57 6.020 8.666 4.134 1.00 0.00 H new ATOM 0 HB VAL A 57 3.836 10.708 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.978 10.991 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.026 11.422 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.252 9.869 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.245 9.273 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.423 8.060 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.001 8.443 3.182 1.00 0.00 H new ATOM 903 N ASP A 58 5.223 11.056 6.205 1.00 0.00 N ATOM 904 CA ASP A 58 5.732 12.195 6.957 1.00 0.00 C ATOM 905 C ASP A 58 6.981 11.797 7.731 1.00 0.00 C ATOM 906 O ASP A 58 7.897 12.599 7.917 1.00 0.00 O ATOM 907 CB ASP A 58 4.666 12.742 7.907 1.00 0.00 C ATOM 908 CG ASP A 58 5.106 14.021 8.591 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.302 15.040 7.892 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.263 14.019 9.831 1.00 0.00 O ATOM 0 H ASP A 58 4.315 10.712 6.517 1.00 0.00 H new ATOM 0 HA ASP A 58 5.992 12.984 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.747 12.928 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.435 11.990 8.662 1.00 0.00 H new ATOM 915 N GLU A 59 7.019 10.544 8.159 1.00 0.00 N ATOM 916 CA GLU A 59 8.171 10.009 8.871 1.00 0.00 C ATOM 917 C GLU A 59 9.180 9.391 7.906 1.00 0.00 C ATOM 918 O GLU A 59 10.391 9.565 8.057 1.00 0.00 O ATOM 919 CB GLU A 59 7.720 8.960 9.887 1.00 0.00 C ATOM 920 CG GLU A 59 6.903 9.531 11.031 1.00 0.00 C ATOM 921 CD GLU A 59 7.724 10.400 11.959 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.941 11.590 11.640 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.160 9.898 13.014 1.00 0.00 O ATOM 0 H GLU A 59 6.261 9.875 8.025 1.00 0.00 H new ATOM 0 HA GLU A 59 8.656 10.835 9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.130 8.201 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.599 8.460 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.078 10.117 10.626 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.462 8.713 11.601 1.00 0.00 H new ATOM 930 N LEU A 60 8.681 8.660 6.919 1.00 0.00 N ATOM 931 CA LEU A 60 9.548 7.949 5.988 1.00 0.00 C ATOM 932 C LEU A 60 9.354 8.440 4.553 1.00 0.00 C ATOM 933 O LEU A 60 8.901 7.696 3.673 1.00 0.00 O ATOM 934 CB LEU A 60 9.304 6.439 6.075 1.00 0.00 C ATOM 935 CG LEU A 60 9.984 5.699 7.236 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.466 6.036 7.303 1.00 0.00 C ATOM 937 CD2 LEU A 60 9.298 6.003 8.561 1.00 0.00 C ATOM 0 H LEU A 60 7.683 8.543 6.742 1.00 0.00 H new ATOM 0 HA LEU A 60 10.580 8.156 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.229 6.271 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.636 5.986 5.141 1.00 0.00 H new ATOM 0 HG LEU A 60 9.888 4.629 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.924 5.499 8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.948 5.742 6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.589 7.109 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.802 5.465 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.344 7.074 8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.256 5.688 8.512 1.00 0.00 H new ATOM 949 N GLY A 61 9.722 9.693 4.320 1.00 0.00 N ATOM 950 CA GLY A 61 9.594 10.282 3.000 1.00 0.00 C ATOM 951 C GLY A 61 10.536 9.658 1.989 1.00 0.00 C ATOM 952 O GLY A 61 10.211 9.562 0.808 1.00 0.00 O ATOM 0 H GLY A 61 10.110 10.317 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.567 10.167 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.792 11.352 3.063 1.00 0.00 H new ATOM 956 N ASP A 62 11.701 9.217 2.452 1.00 0.00 N ATOM 957 CA ASP A 62 12.687 8.591 1.570 1.00 0.00 C ATOM 958 C ASP A 62 12.193 7.240 1.090 1.00 0.00 C ATOM 959 O ASP A 62 12.636 6.734 0.058 1.00 0.00 O ATOM 960 CB ASP A 62 14.036 8.431 2.276 1.00 0.00 C ATOM 961 CG ASP A 62 13.999 7.389 3.375 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.472 7.689 4.468 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.499 6.267 3.151 1.00 0.00 O ATOM 0 H ASP A 62 11.987 9.280 3.429 1.00 0.00 H new ATOM 0 HA ASP A 62 12.823 9.245 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.794 8.154 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.336 9.390 2.699 1.00 0.00 H new ATOM 968 N VAL A 63 11.269 6.660 1.834 1.00 0.00 N ATOM 969 CA VAL A 63 10.632 5.435 1.405 1.00 0.00 C ATOM 970 C VAL A 63 9.680 5.751 0.274 1.00 0.00 C ATOM 971 O VAL A 63 9.762 5.135 -0.772 1.00 0.00 O ATOM 972 CB VAL A 63 9.889 4.721 2.542 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.386 3.366 2.071 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.799 4.560 3.746 1.00 0.00 C ATOM 0 H VAL A 63 10.946 7.017 2.733 1.00 0.00 H new ATOM 0 HA VAL A 63 11.412 4.751 1.070 1.00 0.00 H new ATOM 0 HB VAL A 63 9.032 5.327 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.861 2.869 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.705 3.503 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.231 2.753 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.259 4.052 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.672 3.970 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.121 5.542 4.093 1.00 0.00 H new ATOM 984 N ALA A 64 8.809 6.739 0.476 1.00 0.00 N ATOM 985 CA ALA A 64 7.934 7.245 -0.583 1.00 0.00 C ATOM 986 C ALA A 64 8.713 7.639 -1.851 1.00 0.00 C ATOM 987 O ALA A 64 8.148 7.714 -2.943 1.00 0.00 O ATOM 988 CB ALA A 64 7.141 8.427 -0.062 1.00 0.00 C ATOM 0 H ALA A 64 8.690 7.210 1.373 1.00 0.00 H new ATOM 0 HA ALA A 64 7.257 6.440 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.489 8.804 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.537 8.113 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.826 9.215 0.250 1.00 0.00 H new ATOM 994 N GLN A 65 10.000 7.899 -1.713 1.00 0.00 N ATOM 995 CA GLN A 65 10.837 8.161 -2.876 1.00 0.00 C ATOM 996 C GLN A 65 11.364 6.859 -3.468 1.00 0.00 C ATOM 997 O GLN A 65 11.617 6.767 -4.669 1.00 0.00 O ATOM 998 CB GLN A 65 11.997 9.077 -2.498 1.00 0.00 C ATOM 999 CG GLN A 65 11.541 10.387 -1.886 1.00 0.00 C ATOM 1000 CD GLN A 65 12.682 11.321 -1.544 1.00 0.00 C ATOM 1001 OE1 GLN A 65 13.840 10.767 -1.223 1.00 0.00 O flip ATOM 1002 NE2 GLN A 65 12.520 12.541 -1.567 1.00 0.00 N flip ATOM 0 H GLN A 65 10.488 7.935 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 65 10.227 8.658 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.647 8.559 -1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.593 9.285 -3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.867 10.888 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.969 10.177 -0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.612 12.930 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.294 13.163 -1.333 1.00 0.00 H new ATOM 1011 N LYS A 66 11.523 5.863 -2.615 1.00 0.00 N ATOM 1012 CA LYS A 66 12.007 4.555 -3.029 1.00 0.00 C ATOM 1013 C LYS A 66 10.954 3.823 -3.871 1.00 0.00 C ATOM 1014 O LYS A 66 11.287 3.025 -4.747 1.00 0.00 O ATOM 1015 CB LYS A 66 12.405 3.727 -1.781 1.00 0.00 C ATOM 1016 CG LYS A 66 11.500 2.536 -1.457 1.00 0.00 C ATOM 1017 CD LYS A 66 11.881 1.282 -2.237 1.00 0.00 C ATOM 1018 CE LYS A 66 13.285 0.809 -1.899 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.626 -0.461 -2.587 1.00 0.00 N ATOM 0 H LYS A 66 11.321 5.936 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 66 12.889 4.685 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.422 3.359 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.422 4.392 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.552 2.325 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.466 2.798 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.168 0.487 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.814 1.485 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.004 1.578 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.371 0.672 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.371 -0.955 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.781 -1.065 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.965 -0.255 -3.548 1.00 0.00 H new ATOM 1033 N ASN A 67 9.689 4.121 -3.613 1.00 0.00 N ATOM 1034 CA ASN A 67 8.577 3.380 -4.206 1.00 0.00 C ATOM 1035 C ASN A 67 7.844 4.195 -5.248 1.00 0.00 C ATOM 1036 O ASN A 67 7.018 3.651 -5.983 1.00 0.00 O ATOM 1037 CB ASN A 67 7.597 2.987 -3.113 1.00 0.00 C ATOM 1038 CG ASN A 67 7.516 4.040 -2.073 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.511 5.206 -2.397 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.521 3.652 -0.820 1.00 0.00 N ATOM 0 H ASN A 67 9.402 4.877 -2.992 1.00 0.00 H new ATOM 0 HA ASN A 67 8.990 2.498 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.611 2.821 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.909 2.046 -2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.521 4.345 -0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.525 2.657 -0.594 1.00 0.00 H new ATOM 1047 N GLU A 68 8.131 5.498 -5.282 1.00 0.00 N ATOM 1048 CA GLU A 68 7.549 6.400 -6.267 1.00 0.00 C ATOM 1049 C GLU A 68 6.125 6.797 -5.880 1.00 0.00 C ATOM 1050 O GLU A 68 5.264 7.032 -6.733 1.00 0.00 O ATOM 1051 CB GLU A 68 7.571 5.758 -7.649 1.00 0.00 C ATOM 1052 CG GLU A 68 7.257 6.707 -8.797 1.00 0.00 C ATOM 1053 CD GLU A 68 8.217 7.875 -8.864 1.00 0.00 C ATOM 1054 OE1 GLU A 68 9.299 7.721 -9.464 1.00 0.00 O ATOM 1055 OE2 GLU A 68 7.892 8.952 -8.322 1.00 0.00 O ATOM 0 H GLU A 68 8.770 5.952 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 68 8.151 7.308 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.556 5.321 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.852 4.939 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.292 6.158 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.240 7.083 -8.685 1.00 0.00 H new ATOM 1062 N VAL A 69 5.863 6.837 -4.592 1.00 0.00 N ATOM 1063 CA VAL A 69 4.618 7.410 -4.110 1.00 0.00 C ATOM 1064 C VAL A 69 4.867 8.773 -3.466 1.00 0.00 C ATOM 1065 O VAL A 69 5.445 8.874 -2.393 1.00 0.00 O ATOM 1066 CB VAL A 69 3.842 6.469 -3.145 1.00 0.00 C ATOM 1067 CG1 VAL A 69 4.766 5.654 -2.254 1.00 0.00 C ATOM 1068 CG2 VAL A 69 2.876 7.266 -2.285 1.00 0.00 C ATOM 0 H VAL A 69 6.485 6.485 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 69 3.978 7.542 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 69 3.288 5.770 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.171 5.015 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.416 5.036 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.374 6.326 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.342 6.591 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.431 7.996 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.161 7.783 -2.925 1.00 0.00 H new ATOM 1078 N SER A 70 4.452 9.825 -4.153 1.00 0.00 N ATOM 1079 CA SER A 70 4.603 11.177 -3.637 1.00 0.00 C ATOM 1080 C SER A 70 3.239 11.769 -3.295 1.00 0.00 C ATOM 1081 O SER A 70 3.093 12.514 -2.321 1.00 0.00 O ATOM 1082 CB SER A 70 5.324 12.049 -4.663 1.00 0.00 C ATOM 1083 OG SER A 70 6.540 11.445 -5.079 1.00 0.00 O ATOM 0 H SER A 70 4.008 9.769 -5.070 1.00 0.00 H new ATOM 0 HA SER A 70 5.200 11.143 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.679 12.209 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.529 13.029 -4.233 1.00 0.00 H new ATOM 0 HG SER A 70 6.983 12.021 -5.737 1.00 0.00 H new ATOM 1089 N ALA A 71 2.239 11.431 -4.099 1.00 0.00 N ATOM 1090 CA ALA A 71 0.874 11.849 -3.834 1.00 0.00 C ATOM 1091 C ALA A 71 0.259 10.937 -2.782 1.00 0.00 C ATOM 1092 O ALA A 71 0.655 9.780 -2.653 1.00 0.00 O ATOM 1093 CB ALA A 71 0.054 11.831 -5.114 1.00 0.00 C ATOM 0 H ALA A 71 2.351 10.867 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 71 0.878 12.871 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.966 12.147 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.498 12.512 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.042 10.821 -5.524 1.00 0.00 H new ATOM 1099 N MET A 72 -0.697 11.450 -2.029 1.00 0.00 N ATOM 1100 CA MET A 72 -1.256 10.700 -0.914 1.00 0.00 C ATOM 1101 C MET A 72 -2.747 10.969 -0.750 1.00 0.00 C ATOM 1102 O MET A 72 -3.222 12.067 -1.042 1.00 0.00 O ATOM 1103 CB MET A 72 -0.510 11.060 0.372 1.00 0.00 C ATOM 1104 CG MET A 72 -0.508 12.551 0.672 1.00 0.00 C ATOM 1105 SD MET A 72 0.544 12.980 2.068 1.00 0.00 S ATOM 1106 CE MET A 72 2.147 12.437 1.473 1.00 0.00 C ATOM 0 H MET A 72 -1.102 12.376 -2.166 1.00 0.00 H new ATOM 0 HA MET A 72 -1.134 9.637 -1.123 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.965 10.529 1.208 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.520 10.711 0.296 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.172 13.094 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.528 12.877 0.878 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.925 13.082 1.882 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.324 11.410 1.791 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.168 12.489 0.384 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.507 9.959 -0.295 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.968 8.627 -0.026 1.00 0.00 C ATOM 1118 C PRO A 73 -2.825 7.783 -1.299 1.00 0.00 C ATOM 1119 O PRO A 73 -3.592 7.937 -2.251 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.996 8.020 0.925 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.289 8.703 0.610 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.948 10.047 0.008 1.00 0.00 C ATOM 0 HA PRO A 73 -1.961 8.666 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.076 6.943 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.711 8.181 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.879 8.108 -0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.889 8.826 1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.532 10.239 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.159 10.859 0.704 1.00 0.00 H new ATOM 1130 N THR A 74 -1.842 6.896 -1.300 1.00 0.00 N ATOM 1131 CA THR A 74 -1.523 6.085 -2.470 1.00 0.00 C ATOM 1132 C THR A 74 -1.345 4.623 -2.091 1.00 0.00 C ATOM 1133 O THR A 74 -0.670 4.293 -1.117 1.00 0.00 O ATOM 1134 CB THR A 74 -0.238 6.595 -3.169 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.517 7.775 -3.933 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.389 5.531 -4.068 1.00 0.00 C ATOM 0 H THR A 74 -1.243 6.717 -0.494 1.00 0.00 H new ATOM 0 HA THR A 74 -2.361 6.173 -3.161 1.00 0.00 H new ATOM 0 HB THR A 74 0.480 6.832 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.034 8.516 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.287 5.934 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.652 4.658 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.324 5.240 -4.840 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.971 3.761 -2.864 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.801 2.334 -2.713 1.00 0.00 C ATOM 1146 C LEU A 75 -0.799 1.831 -3.737 1.00 0.00 C ATOM 1147 O LEU A 75 -0.961 2.077 -4.931 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.118 1.609 -2.947 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.290 2.001 -2.050 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.197 3.024 -2.730 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.066 0.757 -1.675 1.00 0.00 C ATOM 0 H LEU A 75 -2.610 4.030 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.450 2.139 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.415 1.770 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.943 0.540 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.900 2.471 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.020 3.280 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.624 3.922 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.595 2.601 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.904 1.030 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.441 0.276 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.412 0.067 -1.142 1.00 0.00 H new ATOM 1163 N LEU A 76 0.232 1.143 -3.287 1.00 0.00 N ATOM 1164 CA LEU A 76 1.168 0.528 -4.207 1.00 0.00 C ATOM 1165 C LEU A 76 1.101 -0.988 -4.100 1.00 0.00 C ATOM 1166 O LEU A 76 1.436 -1.568 -3.068 1.00 0.00 O ATOM 1167 CB LEU A 76 2.591 1.031 -3.952 1.00 0.00 C ATOM 1168 CG LEU A 76 3.202 1.825 -5.112 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.561 2.394 -4.722 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.324 0.942 -6.350 1.00 0.00 C ATOM 0 H LEU A 76 0.442 0.997 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 76 0.889 0.812 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.587 1.659 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.232 0.176 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 76 2.541 2.660 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.975 2.953 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.445 3.057 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.236 1.579 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.759 1.518 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.964 0.089 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.336 0.587 -6.643 1.00 0.00 H new ATOM 1182 N LEU A 77 0.642 -1.614 -5.172 1.00 0.00 N ATOM 1183 CA LEU A 77 0.532 -3.062 -5.247 1.00 0.00 C ATOM 1184 C LEU A 77 1.778 -3.608 -5.929 1.00 0.00 C ATOM 1185 O LEU A 77 2.144 -3.155 -7.018 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.710 -3.485 -6.058 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.099 -3.324 -5.404 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.241 -1.995 -4.676 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.164 -3.426 -6.477 1.00 0.00 C ATOM 0 H LEU A 77 0.335 -1.131 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 77 0.434 -3.459 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.711 -2.914 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.589 -4.534 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.216 -4.117 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.234 -1.927 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.488 -1.928 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.103 -1.177 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.149 -3.313 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.012 -2.639 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.098 -4.399 -6.964 1.00 0.00 H new ATOM 1201 N PHE A 78 2.427 -4.567 -5.301 1.00 0.00 N ATOM 1202 CA PHE A 78 3.608 -5.188 -5.878 1.00 0.00 C ATOM 1203 C PHE A 78 3.458 -6.701 -5.908 1.00 0.00 C ATOM 1204 O PHE A 78 2.699 -7.265 -5.124 1.00 0.00 O ATOM 1205 CB PHE A 78 4.861 -4.834 -5.080 1.00 0.00 C ATOM 1206 CG PHE A 78 5.379 -3.444 -5.314 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.895 -2.376 -4.586 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.372 -3.214 -6.253 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.391 -1.107 -4.789 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.870 -1.945 -6.463 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.378 -0.889 -5.729 1.00 0.00 C ATOM 0 H PHE A 78 2.158 -4.936 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 78 3.710 -4.808 -6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.645 -4.953 -4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.647 -5.547 -5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.121 -2.537 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.762 -4.041 -6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.006 -0.280 -4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.642 -1.780 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.763 0.107 -5.888 1.00 0.00 H new ATOM 1221 N LYS A 79 4.157 -7.352 -6.826 1.00 0.00 N ATOM 1222 CA LYS A 79 4.284 -8.798 -6.781 1.00 0.00 C ATOM 1223 C LYS A 79 5.715 -9.204 -7.137 1.00 0.00 C ATOM 1224 O LYS A 79 6.247 -8.767 -8.158 1.00 0.00 O ATOM 1225 CB LYS A 79 3.274 -9.459 -7.724 1.00 0.00 C ATOM 1226 CG LYS A 79 3.090 -10.947 -7.474 1.00 0.00 C ATOM 1227 CD LYS A 79 2.012 -11.537 -8.372 1.00 0.00 C ATOM 1228 CE LYS A 79 1.821 -13.023 -8.108 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.787 -13.621 -8.992 1.00 0.00 N ATOM 0 H LYS A 79 4.641 -6.905 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 79 4.067 -9.142 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.311 -8.960 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.599 -9.310 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.033 -11.465 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.824 -11.111 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.071 -11.013 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.282 -11.383 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.768 -13.542 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.536 -13.172 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.678 -14.630 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.120 -13.133 -8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.078 -13.518 -9.985 1.00 0.00 H new ATOM 1243 N ASN A 80 6.329 -10.008 -6.259 1.00 0.00 N ATOM 1244 CA ASN A 80 7.695 -10.548 -6.431 1.00 0.00 C ATOM 1245 C ASN A 80 8.735 -9.477 -6.782 1.00 0.00 C ATOM 1246 O ASN A 80 9.530 -9.645 -7.704 1.00 0.00 O ATOM 1247 CB ASN A 80 7.747 -11.713 -7.450 1.00 0.00 C ATOM 1248 CG ASN A 80 7.292 -11.362 -8.861 1.00 0.00 C ATOM 1249 OD1 ASN A 80 6.029 -11.629 -9.160 1.00 0.00 O flip ATOM 1250 ND2 ASN A 80 8.074 -10.896 -9.687 1.00 0.00 N flip ATOM 0 H ASN A 80 5.887 -10.310 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 80 7.964 -10.944 -5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.770 -12.087 -7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.126 -12.528 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.040 -10.702 -9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.757 -10.703 -10.637 1.00 0.00 H new ATOM 1257 N GLY A 81 8.750 -8.385 -6.022 1.00 0.00 N ATOM 1258 CA GLY A 81 9.759 -7.354 -6.224 1.00 0.00 C ATOM 1259 C GLY A 81 9.441 -6.466 -7.405 1.00 0.00 C ATOM 1260 O GLY A 81 10.192 -5.545 -7.725 1.00 0.00 O ATOM 0 H GLY A 81 8.085 -8.194 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.838 -6.744 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.731 -7.824 -6.376 1.00 0.00 H new ATOM 1264 N LYS A 82 8.318 -6.737 -8.042 1.00 0.00 N ATOM 1265 CA LYS A 82 7.879 -5.969 -9.186 1.00 0.00 C ATOM 1266 C LYS A 82 6.556 -5.325 -8.837 1.00 0.00 C ATOM 1267 O LYS A 82 5.889 -5.773 -7.917 1.00 0.00 O ATOM 1268 CB LYS A 82 7.710 -6.882 -10.403 1.00 0.00 C ATOM 1269 CG LYS A 82 8.932 -7.732 -10.711 1.00 0.00 C ATOM 1270 CD LYS A 82 8.727 -8.590 -11.953 1.00 0.00 C ATOM 1271 CE LYS A 82 9.014 -7.829 -13.244 1.00 0.00 C ATOM 1272 NZ LYS A 82 8.032 -6.743 -13.508 1.00 0.00 N ATOM 0 H LYS A 82 7.687 -7.494 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 82 8.619 -5.207 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.856 -7.538 -10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.477 -6.270 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.797 -7.085 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.152 -8.374 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.377 -9.464 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.701 -8.957 -11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.015 -7.402 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.008 -8.528 -14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.919 -6.619 -14.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.115 -6.994 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.374 -5.856 -13.088 1.00 0.00 H new ATOM 1286 N GLU A 83 6.171 -4.287 -9.548 1.00 0.00 N ATOM 1287 CA GLU A 83 4.880 -3.662 -9.316 1.00 0.00 C ATOM 1288 C GLU A 83 3.773 -4.593 -9.814 1.00 0.00 C ATOM 1289 O GLU A 83 4.049 -5.719 -10.241 1.00 0.00 O ATOM 1290 CB GLU A 83 4.830 -2.311 -10.044 1.00 0.00 C ATOM 1291 CG GLU A 83 3.691 -1.397 -9.610 1.00 0.00 C ATOM 1292 CD GLU A 83 3.798 -0.015 -10.221 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.622 0.792 -9.741 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.074 0.263 -11.201 1.00 0.00 O ATOM 0 H GLU A 83 6.727 -3.858 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 83 4.733 -3.486 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.775 -1.792 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.744 -2.494 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.739 -1.845 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.690 -1.312 -8.523 1.00 0.00 H new ATOM 1301 N VAL A 84 2.534 -4.161 -9.664 1.00 0.00 N ATOM 1302 CA VAL A 84 1.400 -4.750 -10.366 1.00 0.00 C ATOM 1303 C VAL A 84 0.318 -3.702 -10.561 1.00 0.00 C ATOM 1304 O VAL A 84 -0.430 -3.748 -11.536 1.00 0.00 O ATOM 1305 CB VAL A 84 0.790 -5.978 -9.663 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.471 -7.267 -10.091 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.870 -5.823 -8.169 1.00 0.00 C ATOM 0 H VAL A 84 2.281 -3.387 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 84 1.790 -5.101 -11.321 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.257 -6.038 -9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.013 -8.110 -9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.359 -7.398 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.531 -7.220 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.435 -6.699 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.913 -5.725 -7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.320 -4.932 -7.866 1.00 0.00 H new ATOM 1317 N ALA A 85 0.248 -2.749 -9.631 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.710 -1.654 -9.723 1.00 0.00 C ATOM 1319 C ALA A 85 -0.448 -0.603 -8.658 1.00 0.00 C ATOM 1320 O ALA A 85 0.229 -0.866 -7.671 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.135 -2.180 -9.611 1.00 0.00 C ATOM 0 H ALA A 85 0.846 -2.716 -8.805 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.587 -1.183 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.836 -1.349 -9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.327 -2.886 -10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.263 -2.682 -8.652 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.967 0.594 -8.882 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.884 1.666 -7.903 1.00 0.00 C ATOM 1329 C LYS A 86 -2.049 2.630 -8.085 1.00 0.00 C ATOM 1330 O LYS A 86 -2.381 3.008 -9.209 1.00 0.00 O ATOM 1331 CB LYS A 86 0.454 2.408 -8.006 1.00 0.00 C ATOM 1332 CG LYS A 86 0.709 3.071 -9.351 1.00 0.00 C ATOM 1333 CD LYS A 86 2.098 3.688 -9.416 1.00 0.00 C ATOM 1334 CE LYS A 86 2.293 4.779 -8.373 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.657 5.370 -8.444 1.00 0.00 N ATOM 0 H LYS A 86 -1.454 0.849 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.943 1.226 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.493 3.170 -7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.261 1.704 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.600 2.334 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.041 3.842 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.847 2.909 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.262 4.105 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.549 5.562 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.127 4.366 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.844 5.916 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.361 4.609 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.720 5.999 -9.270 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.685 3.002 -6.983 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.858 3.865 -7.028 1.00 0.00 C ATOM 1351 C VAL A 87 -3.729 4.998 -6.022 1.00 0.00 C ATOM 1352 O VAL A 87 -3.584 4.762 -4.825 1.00 0.00 O ATOM 1353 CB VAL A 87 -5.164 3.084 -6.742 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.379 3.986 -6.904 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -5.283 1.866 -7.650 1.00 0.00 C ATOM 0 H VAL A 87 -2.407 2.719 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.912 4.270 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.126 2.737 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.285 3.416 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.309 4.820 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.415 4.369 -7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.209 1.336 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.290 2.188 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.435 1.202 -7.481 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.771 6.223 -6.513 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.733 7.392 -5.651 1.00 0.00 C ATOM 1367 C VAL A 88 -5.158 7.785 -5.226 1.00 0.00 C ATOM 1368 O VAL A 88 -5.664 8.866 -5.541 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.993 8.566 -6.349 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -3.648 8.926 -7.676 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -2.897 9.782 -5.436 1.00 0.00 C ATOM 0 H VAL A 88 -3.832 6.436 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.172 7.149 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.978 8.231 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.105 9.751 -8.138 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.626 8.061 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.682 9.224 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.374 10.586 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.899 10.115 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.349 9.516 -4.532 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.817 6.879 -4.517 1.00 0.00 N ATOM 1382 CA GLY A 89 -7.162 7.143 -4.059 1.00 0.00 C ATOM 1383 C GLY A 89 -7.804 5.927 -3.435 1.00 0.00 C ATOM 1384 O GLY A 89 -7.771 4.834 -4.003 1.00 0.00 O ATOM 0 H GLY A 89 -5.443 5.968 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.143 7.955 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.769 7.481 -4.898 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.374 6.112 -2.256 1.00 0.00 N ATOM 1389 CA ALA A 90 -9.071 5.048 -1.563 1.00 0.00 C ATOM 1390 C ALA A 90 -10.390 4.745 -2.231 1.00 0.00 C ATOM 1391 O ALA A 90 -11.381 5.438 -2.006 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.322 5.452 -0.135 1.00 0.00 C ATOM 0 H ALA A 90 -8.365 7.001 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.448 4.154 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.846 4.649 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.371 5.644 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.931 6.356 -0.114 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.411 3.724 -3.053 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.626 3.375 -3.752 1.00 0.00 C ATOM 1400 C ASN A 91 -12.103 1.995 -3.324 1.00 0.00 C ATOM 1401 O ASN A 91 -11.757 0.999 -3.945 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.370 3.420 -5.256 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.553 3.975 -6.031 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.783 3.605 -7.183 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.303 4.878 -5.413 1.00 0.00 N ATOM 0 H ASN A 91 -9.610 3.125 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.409 4.091 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.491 4.033 -5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.145 2.415 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.103 5.292 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.080 5.159 -4.458 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.919 1.943 -2.251 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.370 0.699 -1.612 1.00 0.00 C ATOM 1414 C PRO A 92 -13.612 -0.466 -2.571 1.00 0.00 C ATOM 1415 O PRO A 92 -12.976 -1.515 -2.454 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.672 1.126 -0.947 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.439 2.546 -0.550 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.456 3.124 -1.543 1.00 0.00 C ATOM 0 HA PRO A 92 -12.609 0.306 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.515 1.038 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.899 0.504 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.373 3.108 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.043 2.604 0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.944 3.813 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.665 3.682 -1.042 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.509 -0.275 -3.528 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.903 -1.354 -4.420 1.00 0.00 C ATOM 1428 C ALA A 93 -13.824 -1.656 -5.452 1.00 0.00 C ATOM 1429 O ALA A 93 -13.471 -2.816 -5.666 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.220 -1.024 -5.105 1.00 0.00 C ATOM 0 H ALA A 93 -14.976 0.614 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.036 -2.250 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.500 -1.842 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.997 -0.885 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.109 -0.108 -5.685 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.288 -0.614 -6.072 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.292 -0.786 -7.123 1.00 0.00 C ATOM 1438 C ALA A 94 -10.981 -1.314 -6.566 1.00 0.00 C ATOM 1439 O ALA A 94 -10.233 -1.982 -7.268 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.055 0.519 -7.861 1.00 0.00 C ATOM 0 H ALA A 94 -13.524 0.357 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.684 -1.522 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.308 0.366 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -12.988 0.856 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.699 1.274 -7.160 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.706 -1.019 -5.304 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.485 -1.494 -4.672 1.00 0.00 C ATOM 1448 C ILE A 95 -9.628 -2.964 -4.317 1.00 0.00 C ATOM 1449 O ILE A 95 -8.740 -3.766 -4.593 1.00 0.00 O ATOM 1450 CB ILE A 95 -9.113 -0.681 -3.412 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.754 0.762 -3.786 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.958 -1.339 -2.673 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.611 0.875 -4.775 1.00 0.00 C ATOM 0 H ILE A 95 -11.307 -0.457 -4.701 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.676 -1.360 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.980 -0.661 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.635 1.247 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.492 1.307 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.710 -0.752 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.246 -2.346 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -7.089 -1.391 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.418 1.926 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.716 0.420 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.876 0.360 -5.698 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.770 -3.312 -3.741 1.00 0.00 N ATOM 1466 CA LYS A 96 -11.069 -4.698 -3.403 1.00 0.00 C ATOM 1467 C LYS A 96 -11.083 -5.567 -4.658 1.00 0.00 C ATOM 1468 O LYS A 96 -10.790 -6.764 -4.614 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.400 -4.766 -2.647 1.00 0.00 C ATOM 1470 CG LYS A 96 -13.050 -6.138 -2.605 1.00 0.00 C ATOM 1471 CD LYS A 96 -14.377 -6.086 -1.868 1.00 0.00 C ATOM 1472 CE LYS A 96 -15.084 -7.429 -1.894 1.00 0.00 C ATOM 1473 NZ LYS A 96 -16.393 -7.381 -1.191 1.00 0.00 N ATOM 0 H LYS A 96 -11.508 -2.651 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.288 -5.090 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.236 -4.428 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.097 -4.065 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.207 -6.502 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.383 -6.846 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.208 -5.783 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.016 -5.329 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.238 -7.738 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.449 -8.182 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.080 -7.977 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.278 -7.732 -0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.738 -6.400 -1.166 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.416 -4.955 -5.778 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.349 -5.635 -7.060 1.00 0.00 C ATOM 1489 C GLN A 97 -9.943 -5.580 -7.651 1.00 0.00 C ATOM 1490 O GLN A 97 -9.548 -6.474 -8.397 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.366 -5.040 -8.036 1.00 0.00 C ATOM 1492 CG GLN A 97 -13.807 -5.378 -7.686 1.00 0.00 C ATOM 1493 CD GLN A 97 -14.084 -6.873 -7.715 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -13.396 -7.591 -8.592 1.00 0.00 O flip ATOM 1495 NE2 GLN A 97 -14.921 -7.376 -6.963 1.00 0.00 N flip ATOM 0 H GLN A 97 -11.736 -3.988 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.596 -6.683 -6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.249 -3.956 -8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.149 -5.402 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.036 -4.990 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.474 -4.876 -8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -15.430 -6.790 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.105 -8.379 -7.002 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.183 -4.551 -7.300 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.840 -4.390 -7.825 1.00 0.00 C ATOM 1506 C ALA A 98 -6.926 -5.439 -7.234 1.00 0.00 C ATOM 1507 O ALA A 98 -6.323 -6.226 -7.952 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.306 -2.996 -7.536 1.00 0.00 C ATOM 0 H ALA A 98 -9.476 -3.818 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.875 -4.518 -8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.298 -2.902 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.955 -2.254 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.282 -2.832 -6.459 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.861 -5.464 -5.916 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.000 -6.393 -5.201 1.00 0.00 C ATOM 1516 C ILE A 99 -6.242 -7.821 -5.682 1.00 0.00 C ATOM 1517 O ILE A 99 -5.302 -8.585 -5.893 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.234 -6.353 -3.674 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.378 -4.919 -3.159 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.092 -7.057 -2.971 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.406 -3.953 -3.772 1.00 0.00 C ATOM 0 H ILE A 99 -7.400 -4.845 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.975 -6.085 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.170 -6.868 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.393 -4.573 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.245 -4.917 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.256 -7.030 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.043 -8.094 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.154 -6.555 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.570 -2.959 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.387 -4.274 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.553 -3.924 -4.852 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.514 -8.154 -5.891 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.893 -9.490 -6.334 1.00 0.00 C ATOM 1535 C ALA A 100 -7.447 -9.740 -7.775 1.00 0.00 C ATOM 1536 O ALA A 100 -7.127 -10.868 -8.152 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.396 -9.680 -6.203 1.00 0.00 C ATOM 0 H ALA A 100 -8.298 -7.515 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.389 -10.216 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.667 -10.682 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.689 -9.553 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.911 -8.941 -6.817 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.419 -8.678 -8.568 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.032 -8.764 -9.970 1.00 0.00 C ATOM 1545 C ALA A 101 -5.527 -8.944 -10.121 1.00 0.00 C ATOM 1546 O ALA A 101 -5.064 -9.725 -10.947 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.482 -7.515 -10.712 1.00 0.00 C ATOM 0 H ALA A 101 -7.663 -7.737 -8.260 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.521 -9.638 -10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.188 -7.588 -11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.566 -7.423 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.015 -6.638 -10.265 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.768 -8.221 -9.313 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.310 -8.225 -9.423 1.00 0.00 C ATOM 1555 C ASN A 102 -2.705 -9.444 -8.740 1.00 0.00 C ATOM 1556 O ASN A 102 -1.577 -9.839 -9.044 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.727 -6.940 -8.831 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.254 -5.700 -9.523 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.755 -5.292 -10.568 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.253 -5.079 -8.920 1.00 0.00 N ATOM 0 H ASN A 102 -5.133 -7.622 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.056 -8.274 -10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.966 -6.890 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.640 -6.965 -8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.640 -4.225 -9.322 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.637 -5.454 -8.053 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.459 -10.038 -7.823 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.004 -11.219 -7.103 1.00 0.00 C ATOM 1569 C ALA A 103 -2.882 -12.417 -8.037 1.00 0.00 C ATOM 1570 O ALA A 103 -3.925 -12.993 -8.411 1.00 0.00 O ATOM 1571 CB ALA A 103 -3.949 -11.536 -5.951 1.00 0.00 C ATOM 1572 OXT ALA A 103 -1.740 -12.784 -8.391 1.00 0.00 O ATOM 0 H ALA A 103 -4.392 -9.719 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.015 -11.007 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.595 -12.421 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.980 -10.691 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.949 -11.723 -6.342 1.00 0.00 H new TER 1578 ALA A 103