USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 30 CYS SG : rot 149:sc= 0.266 USER MOD Set 1.2: A 33 CYS SG : rot 71:sc= -0.979 USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= -1.24 F(o=-5.1,f=-2.7) USER MOD Set 2.2: A 26 TYR OH : rot 1:sc= -1.51 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= 0.0522 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -46:sc= -1.07 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= -0.014 (180deg=-0.12) USER MOD Single : A 28 THR OG1 : rot -17:sc= -1.33 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0.339 (180deg=-0.00179) USER MOD Single : A 35 MET CE :methyl 160:sc= -0.2 (180deg=-0.808) USER MOD Single : A 39 MET CE :methyl 175:sc= 0 (180deg=-0.0535) USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= -2.69! (180deg=-5.54!) USER MOD Single : A 44 SER OG : rot -22:sc= 0.421 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -137:sc= 0.65 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.463 F(o=-2.4,f=-0.46) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -2 (180deg=-2.55!) USER MOD Single : A 65 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.2!) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0342 (180deg=-0.263) USER MOD Single : A 67 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.32) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 144:sc= -8.25! (180deg=-13.9!) USER MOD Single : A 74 THR OG1 : rot -12:sc= -3.37! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= -3.87 (180deg=-4.16) USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 102 ASN : amide:sc= -1.91! C(o=-1.9!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -2.652 9.960 3.480 1.00 0.00 N ATOM 21 CA VAL A 2 -2.912 8.548 3.228 1.00 0.00 C ATOM 22 C VAL A 2 -4.383 8.319 2.892 1.00 0.00 C ATOM 23 O VAL A 2 -5.269 8.912 3.508 1.00 0.00 O ATOM 24 CB VAL A 2 -2.519 7.686 4.447 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.400 8.004 5.647 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.580 6.207 4.102 1.00 0.00 C ATOM 0 HA VAL A 2 -2.302 8.249 2.375 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.491 7.928 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.102 7.383 6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.288 9.055 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.442 7.802 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.299 5.618 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.594 5.946 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.891 5.995 3.285 1.00 0.00 H new ATOM 36 N THR A 3 -4.642 7.461 1.907 1.00 0.00 N ATOM 37 CA THR A 3 -6.012 7.172 1.495 1.00 0.00 C ATOM 38 C THR A 3 -6.143 5.752 0.951 1.00 0.00 C ATOM 39 O THR A 3 -5.153 5.122 0.581 1.00 0.00 O ATOM 40 CB THR A 3 -6.467 8.180 0.436 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.390 9.503 0.938 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.886 7.955 -0.040 1.00 0.00 C ATOM 0 H THR A 3 -3.926 6.958 1.383 1.00 0.00 H new ATOM 0 HA THR A 3 -6.650 7.257 2.375 1.00 0.00 H new ATOM 0 HB THR A 3 -5.792 8.034 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.683 10.133 0.247 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.142 8.705 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.969 6.961 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.570 8.037 0.804 1.00 0.00 H new ATOM 50 N GLN A 4 -7.379 5.261 0.905 1.00 0.00 N ATOM 51 CA GLN A 4 -7.661 3.918 0.405 1.00 0.00 C ATOM 52 C GLN A 4 -8.089 3.975 -1.059 1.00 0.00 C ATOM 53 O GLN A 4 -8.165 5.050 -1.651 1.00 0.00 O ATOM 54 CB GLN A 4 -8.786 3.285 1.222 1.00 0.00 C ATOM 55 CG GLN A 4 -8.558 3.340 2.723 1.00 0.00 C ATOM 56 CD GLN A 4 -9.704 2.753 3.537 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.754 2.279 2.868 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 -9.645 2.726 4.767 1.00 0.00 N flip ATOM 0 H GLN A 4 -8.205 5.776 1.210 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.754 3.321 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.722 3.791 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.901 2.244 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.641 2.802 2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.406 4.377 3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.825 3.098 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.416 2.332 5.306 1.00 0.00 H new ATOM 67 N PHE A 5 -8.389 2.812 -1.632 1.00 0.00 N ATOM 68 CA PHE A 5 -8.835 2.742 -3.018 1.00 0.00 C ATOM 69 C PHE A 5 -10.074 1.867 -3.154 1.00 0.00 C ATOM 70 O PHE A 5 -9.974 0.646 -3.267 1.00 0.00 O ATOM 71 CB PHE A 5 -7.728 2.208 -3.928 1.00 0.00 C ATOM 72 CG PHE A 5 -6.560 3.139 -4.080 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.752 4.512 -4.146 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.272 2.639 -4.190 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.680 5.367 -4.317 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.199 3.491 -4.357 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.403 4.855 -4.422 1.00 0.00 C ATOM 0 H PHE A 5 -8.331 1.910 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.086 3.757 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.372 1.257 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.148 2.005 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.750 4.916 -4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.106 1.573 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.841 6.434 -4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.199 3.090 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.563 5.521 -4.555 1.00 0.00 H new ATOM 87 N LYS A 6 -11.244 2.502 -3.154 1.00 0.00 N ATOM 88 CA LYS A 6 -12.506 1.780 -3.290 1.00 0.00 C ATOM 89 C LYS A 6 -12.789 1.448 -4.754 1.00 0.00 C ATOM 90 O LYS A 6 -13.578 0.554 -5.055 1.00 0.00 O ATOM 91 CB LYS A 6 -13.659 2.603 -2.710 1.00 0.00 C ATOM 92 CG LYS A 6 -13.577 2.790 -1.204 1.00 0.00 C ATOM 93 CD LYS A 6 -13.650 1.458 -0.475 1.00 0.00 C ATOM 94 CE LYS A 6 -13.578 1.644 1.032 1.00 0.00 C ATOM 95 NZ LYS A 6 -13.650 0.345 1.757 1.00 0.00 N ATOM 0 H LYS A 6 -11.344 3.513 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.421 0.847 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.672 3.582 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.602 2.115 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.646 3.296 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.391 3.434 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.578 0.949 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.832 0.817 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.650 2.153 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.396 2.287 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.049 0.498 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.257 -0.314 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.695 -0.057 1.844 1.00 0.00 H new ATOM 109 N THR A 7 -12.132 2.167 -5.661 1.00 0.00 N ATOM 110 CA THR A 7 -12.306 1.940 -7.090 1.00 0.00 C ATOM 111 C THR A 7 -10.953 1.909 -7.791 1.00 0.00 C ATOM 112 O THR A 7 -10.177 2.862 -7.707 1.00 0.00 O ATOM 113 CB THR A 7 -13.191 3.027 -7.701 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.624 4.309 -7.497 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.593 3.050 -7.131 1.00 0.00 C ATOM 0 H THR A 7 -11.474 2.912 -5.430 1.00 0.00 H new ATOM 0 HA THR A 7 -12.794 0.975 -7.228 1.00 0.00 H new ATOM 0 HB THR A 7 -13.252 2.786 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.327 4.391 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.167 3.844 -7.608 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.077 2.091 -7.316 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.546 3.231 -6.057 1.00 0.00 H new ATOM 123 N ALA A 8 -10.669 0.805 -8.475 1.00 0.00 N ATOM 124 CA ALA A 8 -9.402 0.646 -9.182 1.00 0.00 C ATOM 125 C ALA A 8 -9.115 1.833 -10.092 1.00 0.00 C ATOM 126 O ALA A 8 -7.958 2.132 -10.387 1.00 0.00 O ATOM 127 CB ALA A 8 -9.399 -0.651 -9.978 1.00 0.00 C ATOM 0 H ALA A 8 -11.299 0.007 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.608 0.604 -8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.448 -0.755 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.536 -1.494 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.211 -0.634 -10.705 1.00 0.00 H new ATOM 133 N SER A 9 -10.168 2.516 -10.522 1.00 0.00 N ATOM 134 CA SER A 9 -10.015 3.678 -11.384 1.00 0.00 C ATOM 135 C SER A 9 -9.195 4.764 -10.689 1.00 0.00 C ATOM 136 O SER A 9 -8.689 5.681 -11.337 1.00 0.00 O ATOM 137 CB SER A 9 -11.387 4.230 -11.772 1.00 0.00 C ATOM 138 OG SER A 9 -11.262 5.368 -12.608 1.00 0.00 O ATOM 0 H SER A 9 -11.134 2.286 -10.288 1.00 0.00 H new ATOM 0 HA SER A 9 -9.486 3.368 -12.285 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.961 3.459 -12.286 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.943 4.495 -10.873 1.00 0.00 H new ATOM 0 HG SER A 9 -12.153 5.701 -12.843 1.00 0.00 H new ATOM 144 N GLU A 10 -9.069 4.658 -9.366 1.00 0.00 N ATOM 145 CA GLU A 10 -8.320 5.632 -8.591 1.00 0.00 C ATOM 146 C GLU A 10 -6.858 5.232 -8.457 1.00 0.00 C ATOM 147 O GLU A 10 -5.955 6.051 -8.630 1.00 0.00 O ATOM 148 CB GLU A 10 -8.945 5.805 -7.206 1.00 0.00 C ATOM 149 CG GLU A 10 -10.351 6.381 -7.243 1.00 0.00 C ATOM 150 CD GLU A 10 -10.965 6.513 -5.864 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.104 5.481 -5.175 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.307 7.649 -5.472 1.00 0.00 O ATOM 0 H GLU A 10 -9.478 3.905 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.362 6.582 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.970 4.838 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.309 6.458 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.325 7.361 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.985 5.743 -7.859 1.00 0.00 H new ATOM 159 N PHE A 11 -6.638 3.969 -8.139 1.00 0.00 N ATOM 160 CA PHE A 11 -5.291 3.439 -7.967 1.00 0.00 C ATOM 161 C PHE A 11 -4.549 3.379 -9.302 1.00 0.00 C ATOM 162 O PHE A 11 -3.319 3.372 -9.341 1.00 0.00 O ATOM 163 CB PHE A 11 -5.352 2.043 -7.338 1.00 0.00 C ATOM 164 CG PHE A 11 -4.024 1.523 -6.847 1.00 0.00 C ATOM 165 CD1 PHE A 11 -2.891 2.327 -6.849 1.00 0.00 C ATOM 166 CD2 PHE A 11 -3.914 0.224 -6.372 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.681 1.845 -6.392 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.703 -0.260 -5.914 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.587 0.550 -5.924 1.00 0.00 C ATOM 0 H PHE A 11 -7.379 3.284 -7.993 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.744 4.109 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.052 2.064 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.753 1.344 -8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.958 3.342 -7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.784 -0.416 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.808 2.481 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.631 -1.274 -5.548 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.641 0.172 -5.566 1.00 0.00 H new ATOM 179 N ASP A 12 -5.303 3.330 -10.396 1.00 0.00 N ATOM 180 CA ASP A 12 -4.715 3.263 -11.730 1.00 0.00 C ATOM 181 C ASP A 12 -3.783 4.445 -11.988 1.00 0.00 C ATOM 182 O ASP A 12 -2.721 4.289 -12.591 1.00 0.00 O ATOM 183 CB ASP A 12 -5.818 3.229 -12.791 1.00 0.00 C ATOM 184 CG ASP A 12 -5.268 3.128 -14.202 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.028 3.081 -14.356 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.075 3.093 -15.153 1.00 0.00 O ATOM 0 H ASP A 12 -6.323 3.335 -10.385 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.126 2.348 -11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.475 2.381 -12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.427 4.129 -12.706 1.00 0.00 H new ATOM 191 N SER A 13 -4.187 5.627 -11.534 1.00 0.00 N ATOM 192 CA SER A 13 -3.389 6.834 -11.725 1.00 0.00 C ATOM 193 C SER A 13 -2.358 7.006 -10.612 1.00 0.00 C ATOM 194 O SER A 13 -1.335 7.664 -10.799 1.00 0.00 O ATOM 195 CB SER A 13 -4.297 8.064 -11.784 1.00 0.00 C ATOM 196 OG SER A 13 -3.540 9.248 -11.968 1.00 0.00 O ATOM 0 H SER A 13 -5.062 5.775 -11.031 1.00 0.00 H new ATOM 0 HA SER A 13 -2.854 6.731 -12.669 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.011 7.954 -12.601 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.875 8.138 -10.863 1.00 0.00 H new ATOM 0 HG SER A 13 -4.143 10.020 -12.004 1.00 0.00 H new ATOM 202 N ALA A 14 -2.634 6.415 -9.452 1.00 0.00 N ATOM 203 CA ALA A 14 -1.729 6.513 -8.312 1.00 0.00 C ATOM 204 C ALA A 14 -0.332 6.005 -8.660 1.00 0.00 C ATOM 205 O ALA A 14 0.669 6.569 -8.219 1.00 0.00 O ATOM 206 CB ALA A 14 -2.293 5.743 -7.127 1.00 0.00 C ATOM 0 H ALA A 14 -3.475 5.865 -9.278 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.641 7.566 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.609 5.823 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.262 6.159 -6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.413 4.694 -7.398 1.00 0.00 H new ATOM 212 N ILE A 15 -0.269 4.935 -9.446 1.00 0.00 N ATOM 213 CA ILE A 15 1.009 4.353 -9.842 1.00 0.00 C ATOM 214 C ILE A 15 1.567 5.025 -11.092 1.00 0.00 C ATOM 215 O ILE A 15 2.734 5.411 -11.124 1.00 0.00 O ATOM 216 CB ILE A 15 0.891 2.830 -10.076 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.101 2.521 -11.201 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.471 2.136 -8.789 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.324 1.039 -11.419 1.00 0.00 C ATOM 0 H ILE A 15 -1.086 4.454 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 15 1.700 4.525 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 15 1.868 2.453 -10.379 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.056 2.994 -10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.262 2.966 -12.127 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.390 1.063 -8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.216 2.323 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.494 2.524 -8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.038 0.894 -12.230 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.622 0.563 -11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.717 0.592 -10.506 1.00 0.00 H new ATOM 231 N ALA A 16 0.735 5.153 -12.120 1.00 0.00 N ATOM 232 CA ALA A 16 1.153 5.764 -13.380 1.00 0.00 C ATOM 233 C ALA A 16 1.965 7.039 -13.168 1.00 0.00 C ATOM 234 O ALA A 16 1.410 8.107 -12.916 1.00 0.00 O ATOM 235 CB ALA A 16 -0.058 6.050 -14.253 1.00 0.00 C ATOM 0 H ALA A 16 -0.236 4.841 -12.107 1.00 0.00 H new ATOM 0 HA ALA A 16 1.803 5.049 -13.884 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.267 6.505 -15.189 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.582 5.118 -14.466 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.729 6.732 -13.732 1.00 0.00 H new ATOM 241 N GLN A 17 3.287 6.914 -13.285 1.00 0.00 N ATOM 242 CA GLN A 17 4.191 8.049 -13.122 1.00 0.00 C ATOM 243 C GLN A 17 3.819 8.885 -11.906 1.00 0.00 C ATOM 244 O GLN A 17 3.027 9.823 -12.006 1.00 0.00 O ATOM 245 CB GLN A 17 4.173 8.922 -14.377 1.00 0.00 C ATOM 246 CG GLN A 17 4.598 8.187 -15.638 1.00 0.00 C ATOM 247 CD GLN A 17 4.568 9.073 -16.867 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.523 9.608 -17.236 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.719 9.232 -17.510 1.00 0.00 N ATOM 0 H GLN A 17 3.756 6.033 -13.493 1.00 0.00 H new ATOM 0 HA GLN A 17 5.196 7.655 -12.969 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.167 9.318 -14.519 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.833 9.776 -14.225 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.606 7.794 -15.503 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.940 7.332 -15.795 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.562 8.770 -17.169 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.760 9.817 -18.345 1.00 0.00 H new ATOM 258 N ASP A 18 4.393 8.545 -10.757 1.00 0.00 N ATOM 259 CA ASP A 18 4.111 9.278 -9.534 1.00 0.00 C ATOM 260 C ASP A 18 5.002 8.801 -8.391 1.00 0.00 C ATOM 261 O ASP A 18 4.552 8.676 -7.253 1.00 0.00 O ATOM 262 CB ASP A 18 2.635 9.125 -9.157 1.00 0.00 C ATOM 263 CG ASP A 18 2.180 10.164 -8.150 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.759 10.221 -7.047 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.240 10.924 -8.467 1.00 0.00 O ATOM 0 H ASP A 18 5.051 7.773 -10.650 1.00 0.00 H new ATOM 0 HA ASP A 18 4.325 10.332 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.024 9.204 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.470 8.129 -8.746 1.00 0.00 H new ATOM 270 N LYS A 19 6.274 8.542 -8.695 1.00 0.00 N ATOM 271 CA LYS A 19 7.219 8.097 -7.683 1.00 0.00 C ATOM 272 C LYS A 19 6.804 6.739 -7.127 1.00 0.00 C ATOM 273 O LYS A 19 6.085 5.986 -7.782 1.00 0.00 O ATOM 274 CB LYS A 19 7.301 9.148 -6.572 1.00 0.00 C ATOM 275 CG LYS A 19 7.820 10.503 -7.035 1.00 0.00 C ATOM 276 CD LYS A 19 6.825 11.220 -7.936 1.00 0.00 C ATOM 277 CE LYS A 19 7.288 12.628 -8.270 1.00 0.00 C ATOM 278 NZ LYS A 19 8.602 12.628 -8.972 1.00 0.00 N ATOM 0 H LYS A 19 6.668 8.634 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 19 8.206 7.981 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.310 9.280 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.949 8.774 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.035 11.125 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.760 10.367 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.692 10.652 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.853 11.263 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.542 13.117 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.366 13.212 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.819 13.590 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.345 12.310 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.560 11.983 -9.787 1.00 0.00 H new ATOM 292 N LEU A 20 7.265 6.429 -5.925 1.00 0.00 N ATOM 293 CA LEU A 20 6.945 5.160 -5.293 1.00 0.00 C ATOM 294 C LEU A 20 5.796 5.318 -4.309 1.00 0.00 C ATOM 295 O LEU A 20 5.900 6.044 -3.322 1.00 0.00 O ATOM 296 CB LEU A 20 8.166 4.609 -4.559 1.00 0.00 C ATOM 297 CG LEU A 20 7.898 3.345 -3.739 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.437 2.212 -4.639 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.139 2.943 -2.957 1.00 0.00 C ATOM 0 H LEU A 20 7.862 7.040 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 20 6.646 4.463 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.946 4.394 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.554 5.382 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 20 7.101 3.559 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.252 1.322 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.519 2.503 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.209 1.997 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.930 2.042 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.958 2.748 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.420 3.750 -2.280 1.00 0.00 H new ATOM 311 N VAL A 21 4.704 4.624 -4.587 1.00 0.00 N ATOM 312 CA VAL A 21 3.529 4.670 -3.734 1.00 0.00 C ATOM 313 C VAL A 21 3.455 3.426 -2.854 1.00 0.00 C ATOM 314 O VAL A 21 3.702 2.311 -3.316 1.00 0.00 O ATOM 315 CB VAL A 21 2.236 4.781 -4.564 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.018 4.882 -3.657 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.308 5.975 -5.505 1.00 0.00 C ATOM 0 H VAL A 21 4.608 4.019 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 21 3.619 5.556 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 21 2.136 3.876 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.117 4.959 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.957 3.993 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.107 5.766 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.386 6.038 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.435 6.889 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.154 5.854 -6.182 1.00 0.00 H new ATOM 327 N VAL A 22 3.109 3.626 -1.587 1.00 0.00 N ATOM 328 CA VAL A 22 2.997 2.522 -0.644 1.00 0.00 C ATOM 329 C VAL A 22 1.538 2.121 -0.468 1.00 0.00 C ATOM 330 O VAL A 22 0.848 2.617 0.421 1.00 0.00 O ATOM 331 CB VAL A 22 3.590 2.896 0.728 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.546 1.705 1.675 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.013 3.409 0.569 1.00 0.00 C ATOM 0 H VAL A 22 2.902 4.543 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 22 3.561 1.683 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 22 2.985 3.693 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.969 1.990 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.512 1.388 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.125 0.883 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.418 3.669 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.631 2.634 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.012 4.292 -0.070 1.00 0.00 H new ATOM 343 N VAL A 23 1.073 1.227 -1.333 1.00 0.00 N ATOM 344 CA VAL A 23 -0.308 0.768 -1.286 1.00 0.00 C ATOM 345 C VAL A 23 -0.420 -0.585 -0.593 1.00 0.00 C ATOM 346 O VAL A 23 0.188 -1.566 -1.018 1.00 0.00 O ATOM 347 CB VAL A 23 -0.906 0.661 -2.700 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.390 0.331 -2.635 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.664 1.950 -3.477 1.00 0.00 C ATOM 0 H VAL A 23 1.633 0.806 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.868 1.508 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.407 -0.153 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.792 0.260 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.529 -0.621 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.914 1.117 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.093 1.859 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.134 2.783 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.408 2.131 -3.558 1.00 0.00 H new ATOM 359 N ASP A 24 -1.207 -0.628 0.476 1.00 0.00 N ATOM 360 CA ASP A 24 -1.409 -1.856 1.233 1.00 0.00 C ATOM 361 C ASP A 24 -2.732 -2.514 0.847 1.00 0.00 C ATOM 362 O ASP A 24 -3.760 -1.846 0.747 1.00 0.00 O ATOM 363 CB ASP A 24 -1.390 -1.554 2.735 1.00 0.00 C ATOM 364 CG ASP A 24 -1.553 -2.799 3.584 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.591 -3.477 3.450 1.00 0.00 O ATOM 366 OD2 ASP A 24 -0.639 -3.095 4.384 1.00 0.00 O ATOM 0 H ASP A 24 -1.717 0.177 0.838 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.599 -2.546 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.450 -1.065 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.189 -0.851 2.970 1.00 0.00 H new ATOM 371 N PHE A 25 -2.700 -3.826 0.629 1.00 0.00 N ATOM 372 CA PHE A 25 -3.886 -4.570 0.250 1.00 0.00 C ATOM 373 C PHE A 25 -4.489 -5.269 1.461 1.00 0.00 C ATOM 374 O PHE A 25 -4.738 -6.476 1.437 1.00 0.00 O ATOM 375 CB PHE A 25 -3.516 -5.601 -0.812 1.00 0.00 C ATOM 376 CG PHE A 25 -3.269 -5.026 -2.175 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.373 -3.985 -2.367 1.00 0.00 C ATOM 378 CD2 PHE A 25 -3.916 -5.558 -3.275 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.134 -3.484 -3.633 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.684 -5.060 -4.540 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.792 -4.022 -4.720 1.00 0.00 C ATOM 0 H PHE A 25 -1.857 -4.394 0.710 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.626 -3.877 -0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.622 -6.133 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.317 -6.337 -0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.857 -3.561 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.612 -6.373 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.434 -2.673 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.200 -5.482 -5.390 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.609 -3.632 -5.710 1.00 0.00 H new ATOM 391 N TYR A 26 -4.726 -4.505 2.522 1.00 0.00 N ATOM 392 CA TYR A 26 -5.304 -5.054 3.741 1.00 0.00 C ATOM 393 C TYR A 26 -6.575 -5.835 3.434 1.00 0.00 C ATOM 394 O TYR A 26 -7.394 -5.412 2.625 1.00 0.00 O ATOM 395 CB TYR A 26 -5.596 -3.942 4.754 1.00 0.00 C ATOM 396 CG TYR A 26 -6.269 -2.719 4.167 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.478 -2.817 3.490 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.690 -1.463 4.292 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.090 -1.701 2.955 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.297 -0.342 3.762 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.497 -0.466 3.095 1.00 0.00 C ATOM 402 OH TYR A 26 -8.104 0.647 2.562 1.00 0.00 O ATOM 0 H TYR A 26 -4.527 -3.505 2.562 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.576 -5.737 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.229 -4.345 5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.659 -3.637 5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.948 -3.783 3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.749 -1.361 4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.029 -1.796 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.834 0.628 3.869 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.945 0.386 2.131 1.00 0.00 H new ATOM 412 N ALA A 27 -6.733 -6.981 4.081 1.00 0.00 N ATOM 413 CA ALA A 27 -7.910 -7.806 3.865 1.00 0.00 C ATOM 414 C ALA A 27 -9.150 -7.120 4.413 1.00 0.00 C ATOM 415 O ALA A 27 -9.119 -6.534 5.495 1.00 0.00 O ATOM 416 CB ALA A 27 -7.729 -9.172 4.507 1.00 0.00 C ATOM 0 H ALA A 27 -6.066 -7.357 4.755 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.040 -7.945 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.620 -9.776 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.864 -9.669 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.573 -9.052 5.579 1.00 0.00 H new ATOM 422 N THR A 28 -10.241 -7.191 3.660 1.00 0.00 N ATOM 423 CA THR A 28 -11.491 -6.570 4.075 1.00 0.00 C ATOM 424 C THR A 28 -11.965 -7.116 5.423 1.00 0.00 C ATOM 425 O THR A 28 -12.848 -6.541 6.058 1.00 0.00 O ATOM 426 CB THR A 28 -12.570 -6.789 3.015 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.815 -6.278 3.456 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.773 -8.246 2.656 1.00 0.00 C ATOM 0 H THR A 28 -10.285 -7.671 2.761 1.00 0.00 H new ATOM 0 HA THR A 28 -11.309 -5.501 4.187 1.00 0.00 H new ATOM 0 HB THR A 28 -12.216 -6.261 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.788 -6.142 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.553 -8.329 1.899 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.842 -8.658 2.265 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.070 -8.802 3.545 1.00 0.00 H new ATOM 436 N TRP A 29 -11.376 -8.230 5.851 1.00 0.00 N ATOM 437 CA TRP A 29 -11.738 -8.857 7.117 1.00 0.00 C ATOM 438 C TRP A 29 -10.586 -8.759 8.133 1.00 0.00 C ATOM 439 O TRP A 29 -10.117 -7.664 8.440 1.00 0.00 O ATOM 440 CB TRP A 29 -12.151 -10.320 6.868 1.00 0.00 C ATOM 441 CG TRP A 29 -11.210 -11.054 5.956 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.081 -10.874 4.607 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.259 -12.067 6.317 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.114 -11.711 4.109 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.594 -12.451 5.136 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.904 -12.687 7.519 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.596 -13.420 5.125 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.913 -13.646 7.507 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.267 -14.005 6.317 1.00 0.00 C ATOM 0 H TRP A 29 -10.643 -8.718 5.336 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.587 -8.326 7.548 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.203 -10.843 7.823 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.152 -10.340 6.438 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.656 -10.175 4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.829 -11.772 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.398 -12.419 8.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.099 -13.700 4.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.630 -14.128 8.431 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.494 -14.759 6.341 1.00 0.00 H new ATOM 460 N CYS A 30 -10.142 -9.901 8.655 1.00 0.00 N ATOM 461 CA CYS A 30 -9.064 -9.949 9.631 1.00 0.00 C ATOM 462 C CYS A 30 -9.439 -9.172 10.894 1.00 0.00 C ATOM 463 O CYS A 30 -9.898 -9.756 11.876 1.00 0.00 O ATOM 464 CB CYS A 30 -7.777 -9.399 9.024 1.00 0.00 C ATOM 465 SG CYS A 30 -6.406 -9.261 10.197 1.00 0.00 S ATOM 0 H CYS A 30 -10.521 -10.816 8.411 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.900 -10.989 9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.472 -10.044 8.200 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.979 -8.415 8.601 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.280 -9.437 9.571 1.00 0.00 H new ATOM 471 N GLY A 31 -9.245 -7.853 10.864 1.00 0.00 N ATOM 472 CA GLY A 31 -9.580 -7.035 12.016 1.00 0.00 C ATOM 473 C GLY A 31 -8.652 -5.843 12.193 1.00 0.00 C ATOM 474 O GLY A 31 -9.007 -4.720 11.835 1.00 0.00 O ATOM 0 H GLY A 31 -8.865 -7.341 10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.605 -6.678 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.545 -7.652 12.914 1.00 0.00 H new ATOM 478 N PRO A 32 -7.452 -6.055 12.762 1.00 0.00 N ATOM 479 CA PRO A 32 -6.480 -4.978 13.000 1.00 0.00 C ATOM 480 C PRO A 32 -5.993 -4.311 11.716 1.00 0.00 C ATOM 481 O PRO A 32 -5.518 -3.177 11.741 1.00 0.00 O ATOM 482 CB PRO A 32 -5.318 -5.685 13.707 1.00 0.00 C ATOM 483 CG PRO A 32 -5.477 -7.127 13.365 1.00 0.00 C ATOM 484 CD PRO A 32 -6.954 -7.358 13.234 1.00 0.00 C ATOM 0 HA PRO A 32 -6.925 -4.169 13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.356 -5.302 13.365 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.358 -5.528 14.785 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.960 -7.367 12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.050 -7.762 14.141 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.177 -8.156 12.526 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.404 -7.642 14.185 1.00 0.00 H new ATOM 492 N CYS A 33 -6.109 -5.018 10.595 1.00 0.00 N ATOM 493 CA CYS A 33 -5.670 -4.480 9.307 1.00 0.00 C ATOM 494 C CYS A 33 -6.233 -3.080 9.060 1.00 0.00 C ATOM 495 O CYS A 33 -5.633 -2.282 8.339 1.00 0.00 O ATOM 496 CB CYS A 33 -6.092 -5.412 8.171 1.00 0.00 C ATOM 497 SG CYS A 33 -5.209 -6.986 8.145 1.00 0.00 S ATOM 0 H CYS A 33 -6.500 -5.959 10.550 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.583 -4.409 9.335 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.161 -5.608 8.254 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.934 -4.903 7.220 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.604 -7.721 9.142 1.00 0.00 H new ATOM 503 N LYS A 34 -7.391 -2.790 9.651 1.00 0.00 N ATOM 504 CA LYS A 34 -8.031 -1.486 9.480 1.00 0.00 C ATOM 505 C LYS A 34 -7.364 -0.418 10.341 1.00 0.00 C ATOM 506 O LYS A 34 -7.364 0.762 9.989 1.00 0.00 O ATOM 507 CB LYS A 34 -9.522 -1.567 9.816 1.00 0.00 C ATOM 508 CG LYS A 34 -10.343 -2.346 8.799 1.00 0.00 C ATOM 509 CD LYS A 34 -9.876 -3.788 8.673 1.00 0.00 C ATOM 510 CE LYS A 34 -10.773 -4.580 7.736 1.00 0.00 C ATOM 511 NZ LYS A 34 -12.183 -4.617 8.213 1.00 0.00 N ATOM 0 H LYS A 34 -7.904 -3.437 10.250 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.916 -1.202 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.639 -2.032 10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.922 -0.556 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.393 -2.329 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.275 -1.857 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.851 -3.809 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.869 -4.258 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.738 -4.137 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.394 -5.598 7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.707 -5.348 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.200 -4.837 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.628 -3.691 8.052 1.00 0.00 H new ATOM 525 N MET A 35 -6.785 -0.834 11.462 1.00 0.00 N ATOM 526 CA MET A 35 -6.103 0.097 12.359 1.00 0.00 C ATOM 527 C MET A 35 -4.735 0.489 11.799 1.00 0.00 C ATOM 528 O MET A 35 -3.966 1.197 12.449 1.00 0.00 O ATOM 529 CB MET A 35 -5.934 -0.534 13.739 1.00 0.00 C ATOM 530 CG MET A 35 -7.251 -0.898 14.408 1.00 0.00 C ATOM 531 SD MET A 35 -7.022 -1.632 16.039 1.00 0.00 S ATOM 532 CE MET A 35 -6.175 -0.304 16.894 1.00 0.00 C ATOM 0 H MET A 35 -6.773 -1.806 11.772 1.00 0.00 H new ATOM 0 HA MET A 35 -6.713 0.996 12.445 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.323 -1.432 13.646 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.389 0.158 14.381 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.867 -0.003 14.500 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.796 -1.596 13.773 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.276 -0.442 17.971 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.119 -0.313 16.624 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.614 0.652 16.608 1.00 0.00 H new ATOM 542 N ILE A 36 -4.441 0.014 10.593 1.00 0.00 N ATOM 543 CA ILE A 36 -3.178 0.292 9.928 1.00 0.00 C ATOM 544 C ILE A 36 -3.219 1.605 9.145 1.00 0.00 C ATOM 545 O ILE A 36 -2.178 2.189 8.846 1.00 0.00 O ATOM 546 CB ILE A 36 -2.820 -0.867 8.981 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.591 -2.144 9.785 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.600 -0.527 8.147 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.266 -3.345 8.929 1.00 0.00 C ATOM 0 H ILE A 36 -5.074 -0.575 10.051 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.415 0.391 10.700 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.653 -1.029 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.776 -1.979 10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.483 -2.358 10.374 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.367 -1.362 7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.803 0.362 7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.751 -0.337 8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.116 -4.216 9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.090 -3.536 8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.357 -3.151 8.360 1.00 0.00 H new ATOM 561 N ALA A 37 -4.422 2.070 8.822 1.00 0.00 N ATOM 562 CA ALA A 37 -4.584 3.318 8.083 1.00 0.00 C ATOM 563 C ALA A 37 -3.822 4.472 8.739 1.00 0.00 C ATOM 564 O ALA A 37 -3.155 5.245 8.050 1.00 0.00 O ATOM 565 CB ALA A 37 -6.059 3.663 7.949 1.00 0.00 C ATOM 0 H ALA A 37 -5.297 1.603 9.060 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.160 3.171 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.166 4.596 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.573 2.864 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.498 3.777 8.940 1.00 0.00 H new ATOM 571 N PRO A 38 -3.895 4.611 10.078 1.00 0.00 N ATOM 572 CA PRO A 38 -3.190 5.679 10.781 1.00 0.00 C ATOM 573 C PRO A 38 -1.691 5.425 10.817 1.00 0.00 C ATOM 574 O PRO A 38 -0.889 6.354 10.717 1.00 0.00 O ATOM 575 CB PRO A 38 -3.788 5.653 12.188 1.00 0.00 C ATOM 576 CG PRO A 38 -4.297 4.265 12.372 1.00 0.00 C ATOM 577 CD PRO A 38 -4.647 3.739 11.003 1.00 0.00 C ATOM 0 HA PRO A 38 -3.308 6.646 10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.038 5.900 12.939 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.591 6.383 12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.542 3.637 12.845 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.171 4.258 13.023 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.356 2.695 10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.720 3.793 10.818 1.00 0.00 H new ATOM 585 N MET A 39 -1.316 4.154 10.927 1.00 0.00 N ATOM 586 CA MET A 39 0.089 3.778 10.939 1.00 0.00 C ATOM 587 C MET A 39 0.704 4.095 9.584 1.00 0.00 C ATOM 588 O MET A 39 1.714 4.788 9.495 1.00 0.00 O ATOM 589 CB MET A 39 0.246 2.289 11.256 1.00 0.00 C ATOM 590 CG MET A 39 1.680 1.819 11.283 1.00 0.00 C ATOM 591 SD MET A 39 1.834 0.064 11.665 1.00 0.00 S ATOM 592 CE MET A 39 3.613 -0.140 11.610 1.00 0.00 C ATOM 0 H MET A 39 -1.965 3.371 11.009 1.00 0.00 H new ATOM 0 HA MET A 39 0.604 4.345 11.714 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.212 2.083 12.223 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.302 1.709 10.514 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.141 2.017 10.315 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.233 2.397 12.023 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.872 -1.154 11.913 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.968 0.038 10.595 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.082 0.573 12.288 1.00 0.00 H new ATOM 602 N ILE A 40 0.060 3.605 8.526 1.00 0.00 N ATOM 603 CA ILE A 40 0.518 3.856 7.164 1.00 0.00 C ATOM 604 C ILE A 40 0.771 5.347 6.950 1.00 0.00 C ATOM 605 O ILE A 40 1.611 5.738 6.140 1.00 0.00 O ATOM 606 CB ILE A 40 -0.515 3.346 6.130 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.600 1.821 6.176 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.158 3.814 4.724 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.603 1.239 5.201 1.00 0.00 C ATOM 0 H ILE A 40 -0.781 3.031 8.588 1.00 0.00 H new ATOM 0 HA ILE A 40 1.452 3.313 7.020 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.489 3.762 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.384 1.404 5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.866 1.511 7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.900 3.442 4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.144 4.904 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.826 3.432 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.609 0.153 5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.597 1.627 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.326 1.518 4.184 1.00 0.00 H new ATOM 621 N GLU A 41 0.040 6.172 7.694 1.00 0.00 N ATOM 622 CA GLU A 41 0.183 7.618 7.604 1.00 0.00 C ATOM 623 C GLU A 41 1.440 8.073 8.335 1.00 0.00 C ATOM 624 O GLU A 41 2.126 8.999 7.901 1.00 0.00 O ATOM 625 CB GLU A 41 -1.044 8.306 8.202 1.00 0.00 C ATOM 626 CG GLU A 41 -0.973 9.824 8.165 1.00 0.00 C ATOM 627 CD GLU A 41 -2.201 10.482 8.764 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.110 9.751 9.212 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.255 11.729 8.786 1.00 0.00 O ATOM 0 H GLU A 41 -0.659 5.860 8.368 1.00 0.00 H new ATOM 0 HA GLU A 41 0.269 7.894 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.932 7.980 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.163 7.982 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.087 10.156 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.857 10.153 7.132 1.00 0.00 H new ATOM 636 N LYS A 42 1.736 7.410 9.447 1.00 0.00 N ATOM 637 CA LYS A 42 2.911 7.735 10.247 1.00 0.00 C ATOM 638 C LYS A 42 4.190 7.607 9.424 1.00 0.00 C ATOM 639 O LYS A 42 5.217 8.193 9.763 1.00 0.00 O ATOM 640 CB LYS A 42 2.981 6.824 11.474 1.00 0.00 C ATOM 641 CG LYS A 42 1.832 7.031 12.449 1.00 0.00 C ATOM 642 CD LYS A 42 1.863 6.027 13.595 1.00 0.00 C ATOM 643 CE LYS A 42 3.098 6.190 14.472 1.00 0.00 C ATOM 644 NZ LYS A 42 4.341 5.723 13.796 1.00 0.00 N ATOM 0 H LYS A 42 1.176 6.641 9.816 1.00 0.00 H new ATOM 0 HA LYS A 42 2.822 8.771 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.986 5.785 11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.924 6.998 11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.878 8.042 12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.885 6.943 11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.968 6.148 14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.839 5.015 13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.209 7.239 14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.959 5.631 15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.909 5.162 14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.090 5.135 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.893 6.545 13.477 1.00 0.00 H new ATOM 658 N PHE A 43 4.122 6.838 8.339 1.00 0.00 N ATOM 659 CA PHE A 43 5.278 6.640 7.472 1.00 0.00 C ATOM 660 C PHE A 43 5.329 7.688 6.367 1.00 0.00 C ATOM 661 O PHE A 43 6.391 7.960 5.808 1.00 0.00 O ATOM 662 CB PHE A 43 5.259 5.236 6.865 1.00 0.00 C ATOM 663 CG PHE A 43 5.455 4.143 7.876 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.569 3.990 8.930 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.528 3.273 7.775 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.746 2.986 9.862 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.710 2.266 8.705 1.00 0.00 C ATOM 668 CZ PHE A 43 5.819 2.123 9.750 1.00 0.00 C ATOM 0 H PHE A 43 3.281 6.344 8.041 1.00 0.00 H new ATOM 0 HA PHE A 43 6.173 6.749 8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.308 5.082 6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.041 5.165 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.730 4.664 9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.230 3.382 6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.046 2.876 10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.549 1.592 8.614 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.961 1.338 10.478 1.00 0.00 H new ATOM 678 N SER A 44 4.181 8.281 6.062 1.00 0.00 N ATOM 679 CA SER A 44 4.106 9.305 5.027 1.00 0.00 C ATOM 680 C SER A 44 4.892 10.555 5.424 1.00 0.00 C ATOM 681 O SER A 44 5.121 11.440 4.598 1.00 0.00 O ATOM 682 CB SER A 44 2.647 9.672 4.748 1.00 0.00 C ATOM 683 OG SER A 44 2.556 10.664 3.740 1.00 0.00 O ATOM 0 H SER A 44 3.292 8.071 6.515 1.00 0.00 H new ATOM 0 HA SER A 44 4.553 8.896 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.098 8.783 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.178 10.034 5.663 1.00 0.00 H new ATOM 0 HG SER A 44 3.404 11.151 3.683 1.00 0.00 H new ATOM 689 N GLU A 45 5.300 10.630 6.689 1.00 0.00 N ATOM 690 CA GLU A 45 6.055 11.777 7.181 1.00 0.00 C ATOM 691 C GLU A 45 7.552 11.606 6.932 1.00 0.00 C ATOM 692 O GLU A 45 8.289 12.587 6.841 1.00 0.00 O ATOM 693 CB GLU A 45 5.798 11.977 8.677 1.00 0.00 C ATOM 694 CG GLU A 45 4.337 12.229 9.014 1.00 0.00 C ATOM 695 CD GLU A 45 4.107 12.430 10.500 1.00 0.00 C ATOM 696 OE1 GLU A 45 5.091 12.371 11.269 1.00 0.00 O ATOM 697 OE2 GLU A 45 2.943 12.645 10.896 1.00 0.00 O ATOM 0 H GLU A 45 5.120 9.911 7.390 1.00 0.00 H new ATOM 0 HA GLU A 45 5.717 12.657 6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.140 11.094 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.394 12.818 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.990 13.110 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.738 11.387 8.668 1.00 0.00 H new ATOM 704 N GLN A 46 7.997 10.357 6.827 1.00 0.00 N ATOM 705 CA GLN A 46 9.409 10.065 6.593 1.00 0.00 C ATOM 706 C GLN A 46 9.731 9.983 5.105 1.00 0.00 C ATOM 707 O GLN A 46 10.854 10.265 4.690 1.00 0.00 O ATOM 708 CB GLN A 46 9.797 8.760 7.284 1.00 0.00 C ATOM 709 CG GLN A 46 9.638 8.815 8.791 1.00 0.00 C ATOM 710 CD GLN A 46 10.030 7.517 9.469 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.171 7.070 9.364 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.081 6.905 10.168 1.00 0.00 N ATOM 0 H GLN A 46 7.402 9.532 6.900 1.00 0.00 H new ATOM 0 HA GLN A 46 9.990 10.886 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.183 7.950 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.833 8.522 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.249 9.626 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.602 9.049 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.148 7.313 10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.285 6.027 10.645 1.00 0.00 H new ATOM 721 N TYR A 47 8.743 9.594 4.304 1.00 0.00 N ATOM 722 CA TYR A 47 8.936 9.478 2.863 1.00 0.00 C ATOM 723 C TYR A 47 7.940 10.347 2.092 1.00 0.00 C ATOM 724 O TYR A 47 7.337 9.894 1.120 1.00 0.00 O ATOM 725 CB TYR A 47 8.799 8.017 2.440 1.00 0.00 C ATOM 726 CG TYR A 47 9.804 7.102 3.101 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.141 7.120 2.728 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.414 6.226 4.103 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.062 6.286 3.332 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.328 5.387 4.715 1.00 0.00 C ATOM 731 CZ TYR A 47 11.650 5.421 4.325 1.00 0.00 C ATOM 732 OH TYR A 47 12.564 4.588 4.930 1.00 0.00 O ATOM 0 H TYR A 47 7.805 9.355 4.627 1.00 0.00 H new ATOM 0 HA TYR A 47 9.939 9.833 2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.793 7.671 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.913 7.948 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.467 7.797 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.379 6.198 4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.098 6.311 3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.008 4.710 5.493 1.00 0.00 H new ATOM 0 HH TYR A 47 12.175 3.695 5.033 1.00 0.00 H new ATOM 742 N PRO A 48 7.746 11.609 2.526 1.00 0.00 N ATOM 743 CA PRO A 48 6.817 12.543 1.885 1.00 0.00 C ATOM 744 C PRO A 48 6.794 12.434 0.364 1.00 0.00 C ATOM 745 O PRO A 48 5.760 12.647 -0.268 1.00 0.00 O ATOM 746 CB PRO A 48 7.362 13.902 2.315 1.00 0.00 C ATOM 747 CG PRO A 48 7.963 13.663 3.660 1.00 0.00 C ATOM 748 CD PRO A 48 8.410 12.221 3.692 1.00 0.00 C ATOM 0 HA PRO A 48 5.785 12.351 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.106 14.271 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.570 14.649 2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.806 14.332 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.236 13.859 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.495 12.139 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.114 11.733 4.620 1.00 0.00 H new ATOM 756 N GLN A 49 7.937 12.106 -0.215 1.00 0.00 N ATOM 757 CA GLN A 49 8.049 11.970 -1.665 1.00 0.00 C ATOM 758 C GLN A 49 7.171 10.831 -2.170 1.00 0.00 C ATOM 759 O GLN A 49 6.572 10.921 -3.242 1.00 0.00 O ATOM 760 CB GLN A 49 9.503 11.725 -2.073 1.00 0.00 C ATOM 761 CG GLN A 49 10.445 12.860 -1.697 1.00 0.00 C ATOM 762 CD GLN A 49 10.142 14.174 -2.409 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.241 14.150 -3.391 1.00 0.00 O flip ATOM 764 NE2 GLN A 49 10.729 15.206 -2.086 1.00 0.00 N flip ATOM 0 H GLN A 49 8.803 11.928 0.294 1.00 0.00 H new ATOM 0 HA GLN A 49 7.708 12.902 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.852 10.805 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.547 11.570 -3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.393 13.021 -0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.468 12.561 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.413 15.188 -1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.532 16.079 -2.575 1.00 0.00 H new ATOM 773 N ALA A 50 7.098 9.763 -1.386 1.00 0.00 N ATOM 774 CA ALA A 50 6.292 8.604 -1.742 1.00 0.00 C ATOM 775 C ALA A 50 4.873 8.746 -1.204 1.00 0.00 C ATOM 776 O ALA A 50 4.671 9.194 -0.075 1.00 0.00 O ATOM 777 CB ALA A 50 6.936 7.336 -1.202 1.00 0.00 C ATOM 0 H ALA A 50 7.589 9.676 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 50 6.240 8.540 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.326 6.474 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.933 7.224 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.011 7.400 -0.116 1.00 0.00 H new ATOM 783 N ASP A 51 3.892 8.362 -2.014 1.00 0.00 N ATOM 784 CA ASP A 51 2.494 8.449 -1.609 1.00 0.00 C ATOM 785 C ASP A 51 2.056 7.165 -0.919 1.00 0.00 C ATOM 786 O ASP A 51 2.230 6.070 -1.452 1.00 0.00 O ATOM 787 CB ASP A 51 1.602 8.726 -2.819 1.00 0.00 C ATOM 788 CG ASP A 51 1.909 10.060 -3.469 1.00 0.00 C ATOM 789 OD1 ASP A 51 1.778 11.097 -2.785 1.00 0.00 O ATOM 790 OD2 ASP A 51 2.282 10.069 -4.660 1.00 0.00 O ATOM 0 H ASP A 51 4.039 7.989 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 51 2.394 9.275 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.731 7.930 -3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.557 8.708 -2.509 1.00 0.00 H new ATOM 795 N PHE A 52 1.494 7.304 0.276 1.00 0.00 N ATOM 796 CA PHE A 52 1.044 6.153 1.043 1.00 0.00 C ATOM 797 C PHE A 52 -0.455 5.926 0.892 1.00 0.00 C ATOM 798 O PHE A 52 -1.250 6.389 1.709 1.00 0.00 O ATOM 799 CB PHE A 52 1.402 6.325 2.519 1.00 0.00 C ATOM 800 CG PHE A 52 2.880 6.295 2.777 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.718 7.236 2.199 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.432 5.324 3.595 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.080 7.205 2.431 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.792 5.290 3.831 1.00 0.00 C ATOM 805 CZ PHE A 52 5.617 6.230 3.249 1.00 0.00 C ATOM 0 H PHE A 52 1.340 8.203 0.733 1.00 0.00 H new ATOM 0 HA PHE A 52 1.556 5.275 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.997 7.272 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.923 5.535 3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.302 8.001 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.792 4.585 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.724 7.942 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.210 4.527 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.681 6.204 3.433 1.00 0.00 H new ATOM 815 N TYR A 53 -0.829 5.191 -0.148 1.00 0.00 N ATOM 816 CA TYR A 53 -2.228 4.877 -0.397 1.00 0.00 C ATOM 817 C TYR A 53 -2.559 3.505 0.170 1.00 0.00 C ATOM 818 O TYR A 53 -1.719 2.872 0.810 1.00 0.00 O ATOM 819 CB TYR A 53 -2.534 4.918 -1.895 1.00 0.00 C ATOM 820 CG TYR A 53 -2.730 6.316 -2.438 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.826 7.079 -2.055 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.830 6.868 -3.340 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.017 8.352 -2.553 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.012 8.143 -3.841 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.107 8.881 -3.445 1.00 0.00 C ATOM 826 OH TYR A 53 -3.294 10.149 -3.944 1.00 0.00 O ATOM 0 H TYR A 53 -0.181 4.801 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.846 5.626 0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.719 4.439 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.433 4.333 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.540 6.669 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.973 6.291 -3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.875 8.931 -2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.300 8.559 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.563 10.370 -4.558 1.00 0.00 H new ATOM 836 N LYS A 54 -3.781 3.045 -0.059 1.00 0.00 N ATOM 837 CA LYS A 54 -4.195 1.747 0.445 1.00 0.00 C ATOM 838 C LYS A 54 -5.238 1.108 -0.463 1.00 0.00 C ATOM 839 O LYS A 54 -6.139 1.781 -0.964 1.00 0.00 O ATOM 840 CB LYS A 54 -4.720 1.886 1.873 1.00 0.00 C ATOM 841 CG LYS A 54 -3.702 2.513 2.817 1.00 0.00 C ATOM 842 CD LYS A 54 -4.150 2.452 4.270 1.00 0.00 C ATOM 843 CE LYS A 54 -5.497 3.122 4.475 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.492 4.539 4.016 1.00 0.00 N ATOM 0 H LYS A 54 -4.496 3.547 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.327 1.087 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.624 2.494 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.001 0.902 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.747 1.999 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.538 3.552 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.210 1.411 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.404 2.936 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.263 2.568 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.764 3.084 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.471 4.881 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.977 5.125 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.024 4.602 3.089 1.00 0.00 H new ATOM 858 N LEU A 55 -5.098 -0.195 -0.682 1.00 0.00 N ATOM 859 CA LEU A 55 -6.012 -0.934 -1.544 1.00 0.00 C ATOM 860 C LEU A 55 -7.119 -1.598 -0.729 1.00 0.00 C ATOM 861 O LEU A 55 -6.854 -2.276 0.264 1.00 0.00 O ATOM 862 CB LEU A 55 -5.231 -1.978 -2.347 1.00 0.00 C ATOM 863 CG LEU A 55 -6.009 -2.662 -3.476 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.073 -3.591 -2.915 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.635 -1.624 -4.394 1.00 0.00 C ATOM 0 H LEU A 55 -4.357 -0.763 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.485 -0.234 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.351 -1.497 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.873 -2.745 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.309 -3.262 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.612 -4.065 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.600 -4.357 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.772 -3.018 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.184 -2.126 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.319 -0.997 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.852 -1.003 -4.829 1.00 0.00 H new ATOM 877 N ASP A 56 -8.360 -1.385 -1.154 1.00 0.00 N ATOM 878 CA ASP A 56 -9.515 -1.938 -0.477 1.00 0.00 C ATOM 879 C ASP A 56 -9.845 -3.344 -0.971 1.00 0.00 C ATOM 880 O ASP A 56 -10.302 -3.526 -2.099 1.00 0.00 O ATOM 881 CB ASP A 56 -10.706 -1.010 -0.693 1.00 0.00 C ATOM 882 CG ASP A 56 -10.584 0.278 0.098 1.00 0.00 C ATOM 883 OD1 ASP A 56 -10.490 0.205 1.341 1.00 0.00 O ATOM 884 OD2 ASP A 56 -10.582 1.360 -0.526 1.00 0.00 O ATOM 0 H ASP A 56 -8.587 -0.825 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.287 -2.017 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.793 -0.775 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.622 -1.525 -0.405 1.00 0.00 H new ATOM 889 N VAL A 57 -9.626 -4.333 -0.110 1.00 0.00 N ATOM 890 CA VAL A 57 -9.914 -5.724 -0.444 1.00 0.00 C ATOM 891 C VAL A 57 -11.411 -6.020 -0.319 1.00 0.00 C ATOM 892 O VAL A 57 -11.864 -7.117 -0.644 1.00 0.00 O ATOM 893 CB VAL A 57 -9.114 -6.691 0.460 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.502 -8.144 0.205 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.620 -6.495 0.239 1.00 0.00 C ATOM 0 H VAL A 57 -9.249 -4.196 0.828 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.610 -5.880 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.356 -6.461 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.921 -8.796 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.564 -8.279 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.299 -8.398 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.064 -7.180 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.377 -6.696 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.348 -5.468 0.483 1.00 0.00 H new ATOM 905 N ASP A 58 -12.172 -5.032 0.148 1.00 0.00 N ATOM 906 CA ASP A 58 -13.612 -5.189 0.313 1.00 0.00 C ATOM 907 C ASP A 58 -14.342 -4.903 -0.995 1.00 0.00 C ATOM 908 O ASP A 58 -15.108 -5.731 -1.487 1.00 0.00 O ATOM 909 CB ASP A 58 -14.124 -4.249 1.406 1.00 0.00 C ATOM 910 CG ASP A 58 -15.605 -4.426 1.675 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.010 -5.546 2.053 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.360 -3.445 1.508 1.00 0.00 O ATOM 0 H ASP A 58 -11.814 -4.116 0.418 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.810 -6.221 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.567 -4.428 2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.932 -3.217 1.113 1.00 0.00 H new ATOM 917 N GLU A 59 -14.100 -3.720 -1.549 1.00 0.00 N ATOM 918 CA GLU A 59 -14.734 -3.315 -2.798 1.00 0.00 C ATOM 919 C GLU A 59 -13.929 -3.783 -4.009 1.00 0.00 C ATOM 920 O GLU A 59 -14.444 -3.816 -5.128 1.00 0.00 O ATOM 921 CB GLU A 59 -14.895 -1.793 -2.838 1.00 0.00 C ATOM 922 CG GLU A 59 -15.565 -1.283 -4.104 1.00 0.00 C ATOM 923 CD GLU A 59 -16.982 -1.798 -4.270 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.456 -2.536 -3.379 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.619 -1.462 -5.290 1.00 0.00 O ATOM 0 H GLU A 59 -13.469 -3.024 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.716 -3.785 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.480 -1.475 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.913 -1.330 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.579 -0.193 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.972 -1.581 -4.968 1.00 0.00 H new ATOM 932 N LEU A 60 -12.666 -4.139 -3.788 1.00 0.00 N ATOM 933 CA LEU A 60 -11.805 -4.595 -4.874 1.00 0.00 C ATOM 934 C LEU A 60 -11.169 -5.942 -4.542 1.00 0.00 C ATOM 935 O LEU A 60 -9.946 -6.079 -4.533 1.00 0.00 O ATOM 936 CB LEU A 60 -10.709 -3.565 -5.161 1.00 0.00 C ATOM 937 CG LEU A 60 -11.206 -2.163 -5.518 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.903 -1.525 -4.327 1.00 0.00 C ATOM 939 CD2 LEU A 60 -10.051 -1.295 -5.993 1.00 0.00 C ATOM 0 H LEU A 60 -12.219 -4.121 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.427 -4.713 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.064 -3.492 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.093 -3.934 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.928 -2.248 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.250 -0.528 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.755 -2.138 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.205 -1.451 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.422 -0.301 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.306 -1.216 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.596 -1.745 -6.876 1.00 0.00 H new ATOM 951 N GLY A 61 -12.008 -6.939 -4.279 1.00 0.00 N ATOM 952 CA GLY A 61 -11.504 -8.260 -3.962 1.00 0.00 C ATOM 953 C GLY A 61 -10.722 -8.871 -5.110 1.00 0.00 C ATOM 954 O GLY A 61 -9.989 -9.840 -4.923 1.00 0.00 O ATOM 0 H GLY A 61 -13.025 -6.855 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.865 -8.200 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.339 -8.913 -3.706 1.00 0.00 H new ATOM 958 N ASP A 62 -10.883 -8.304 -6.305 1.00 0.00 N ATOM 959 CA ASP A 62 -10.191 -8.802 -7.487 1.00 0.00 C ATOM 960 C ASP A 62 -8.748 -8.310 -7.541 1.00 0.00 C ATOM 961 O ASP A 62 -7.878 -8.983 -8.090 1.00 0.00 O ATOM 962 CB ASP A 62 -10.930 -8.376 -8.746 1.00 0.00 C ATOM 963 CG ASP A 62 -12.354 -8.897 -8.795 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.765 -9.596 -7.844 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.058 -8.608 -9.786 1.00 0.00 O ATOM 0 H ASP A 62 -11.487 -7.500 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.174 -9.890 -7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.944 -7.288 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.386 -8.734 -9.620 1.00 0.00 H new ATOM 970 N VAL A 63 -8.500 -7.132 -6.976 1.00 0.00 N ATOM 971 CA VAL A 63 -7.157 -6.559 -6.976 1.00 0.00 C ATOM 972 C VAL A 63 -6.249 -7.294 -5.990 1.00 0.00 C ATOM 973 O VAL A 63 -5.036 -7.368 -6.181 1.00 0.00 O ATOM 974 CB VAL A 63 -7.187 -5.055 -6.643 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.812 -4.431 -6.832 1.00 0.00 C ATOM 976 CG2 VAL A 63 -8.224 -4.343 -7.498 1.00 0.00 C ATOM 0 H VAL A 63 -9.206 -6.558 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.754 -6.679 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.467 -4.941 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.858 -3.369 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.096 -4.922 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.496 -4.555 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.233 -3.281 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.975 -4.468 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.209 -4.769 -7.305 1.00 0.00 H new ATOM 986 N ALA A 64 -6.846 -7.866 -4.950 1.00 0.00 N ATOM 987 CA ALA A 64 -6.093 -8.632 -3.961 1.00 0.00 C ATOM 988 C ALA A 64 -5.821 -10.027 -4.507 1.00 0.00 C ATOM 989 O ALA A 64 -4.841 -10.672 -4.141 1.00 0.00 O ATOM 990 CB ALA A 64 -6.860 -8.707 -2.650 1.00 0.00 C ATOM 0 H ALA A 64 -7.849 -7.814 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.143 -8.134 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.284 -9.281 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.025 -7.700 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.821 -9.193 -2.818 1.00 0.00 H new ATOM 996 N GLN A 65 -6.699 -10.480 -5.399 1.00 0.00 N ATOM 997 CA GLN A 65 -6.562 -11.790 -6.019 1.00 0.00 C ATOM 998 C GLN A 65 -5.748 -11.698 -7.309 1.00 0.00 C ATOM 999 O GLN A 65 -5.048 -12.641 -7.677 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.940 -12.389 -6.310 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.769 -12.649 -5.061 1.00 0.00 C ATOM 1002 CD GLN A 65 -8.129 -13.663 -4.134 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -7.025 -13.452 -3.630 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -8.821 -14.773 -3.903 1.00 0.00 N ATOM 0 H GLN A 65 -7.516 -9.954 -5.708 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.033 -12.441 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.489 -11.713 -6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.812 -13.326 -6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.912 -11.712 -4.524 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.757 -13.003 -5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.732 -14.907 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.441 -15.492 -3.287 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.844 -10.556 -7.992 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.109 -10.359 -9.240 1.00 0.00 C ATOM 1015 C LYS A 66 -3.609 -10.477 -8.986 1.00 0.00 C ATOM 1016 O LYS A 66 -2.899 -11.187 -9.700 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.439 -8.992 -9.863 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.778 -7.812 -9.169 1.00 0.00 C ATOM 1019 CD LYS A 66 -5.129 -6.498 -9.849 1.00 0.00 C ATOM 1020 CE LYS A 66 -4.631 -6.463 -11.285 1.00 0.00 C ATOM 1021 NZ LYS A 66 -3.154 -6.639 -11.368 1.00 0.00 N ATOM 0 H LYS A 66 -6.417 -9.762 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.413 -11.133 -9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.135 -9.000 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.520 -8.850 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.093 -7.779 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.696 -7.946 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.210 -6.357 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.692 -5.670 -9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.123 -7.249 -11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.909 -5.513 -11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.830 -6.408 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.690 -6.006 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.909 -7.625 -11.148 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.138 -9.785 -7.952 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.739 -9.810 -7.582 1.00 0.00 C ATOM 1037 C ASN A 67 -1.437 -11.009 -6.683 1.00 0.00 C ATOM 1038 O ASN A 67 -0.305 -11.191 -6.236 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.389 -8.514 -6.863 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.496 -7.303 -7.768 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.808 -7.212 -8.787 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.361 -6.364 -7.403 1.00 0.00 N ATOM 0 H ASN A 67 -3.718 -9.196 -7.354 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.134 -9.904 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.053 -8.385 -6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.374 -8.582 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.476 -5.527 -7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.910 -6.480 -6.552 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.459 -11.824 -6.424 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.312 -13.004 -5.583 1.00 0.00 C ATOM 1051 C GLU A 68 -1.982 -12.622 -4.144 1.00 0.00 C ATOM 1052 O GLU A 68 -1.195 -13.298 -3.481 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.226 -13.927 -6.143 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.508 -14.407 -7.556 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.420 -15.319 -8.091 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -0.181 -16.380 -7.476 1.00 0.00 O ATOM 1057 OE2 GLU A 68 0.193 -14.972 -9.122 1.00 0.00 O ATOM 0 H GLU A 68 -3.401 -11.685 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.265 -13.533 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.271 -13.401 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.122 -14.792 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.461 -14.936 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.611 -13.545 -8.215 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.586 -11.538 -3.659 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.346 -11.090 -2.295 1.00 0.00 C ATOM 1066 C VAL A 69 -3.591 -11.270 -1.432 1.00 0.00 C ATOM 1067 O VAL A 69 -4.283 -10.303 -1.114 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.915 -9.615 -2.256 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.609 -9.188 -0.830 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.712 -9.386 -3.159 1.00 0.00 C ATOM 0 H VAL A 69 -3.239 -10.960 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.539 -11.705 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.738 -9.004 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.305 -8.141 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.499 -9.313 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.802 -9.803 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.421 -8.336 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.119 -10.006 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.971 -9.652 -4.184 1.00 0.00 H new ATOM 1080 N SER A 70 -3.869 -12.512 -1.053 1.00 0.00 N ATOM 1081 CA SER A 70 -5.028 -12.811 -0.224 1.00 0.00 C ATOM 1082 C SER A 70 -4.679 -12.728 1.262 1.00 0.00 C ATOM 1083 O SER A 70 -5.505 -13.042 2.118 1.00 0.00 O ATOM 1084 CB SER A 70 -5.575 -14.201 -0.552 1.00 0.00 C ATOM 1085 OG SER A 70 -4.603 -15.203 -0.302 1.00 0.00 O ATOM 0 H SER A 70 -3.309 -13.326 -1.306 1.00 0.00 H new ATOM 0 HA SER A 70 -5.793 -12.066 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.465 -14.396 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.880 -14.238 -1.598 1.00 0.00 H new ATOM 0 HG SER A 70 -4.977 -16.083 -0.518 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.454 -12.297 1.565 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.009 -12.172 2.947 1.00 0.00 C ATOM 1093 C ALA A 71 -3.888 -11.182 3.706 1.00 0.00 C ATOM 1094 O ALA A 71 -5.018 -10.913 3.298 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.552 -11.743 2.993 1.00 0.00 C ATOM 0 H ALA A 71 -2.756 -12.030 0.871 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.098 -13.145 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.232 -11.653 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.937 -12.487 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.440 -10.780 2.494 1.00 0.00 H new ATOM 1101 N MET A 72 -3.375 -10.641 4.810 1.00 0.00 N ATOM 1102 CA MET A 72 -4.146 -9.690 5.598 1.00 0.00 C ATOM 1103 C MET A 72 -3.333 -9.098 6.751 1.00 0.00 C ATOM 1104 O MET A 72 -3.277 -9.671 7.838 1.00 0.00 O ATOM 1105 CB MET A 72 -5.416 -10.358 6.140 1.00 0.00 C ATOM 1106 CG MET A 72 -5.166 -11.482 7.132 1.00 0.00 C ATOM 1107 SD MET A 72 -4.268 -12.879 6.427 1.00 0.00 S ATOM 1108 CE MET A 72 -5.405 -13.413 5.150 1.00 0.00 C ATOM 0 H MET A 72 -2.443 -10.843 5.172 1.00 0.00 H new ATOM 0 HA MET A 72 -4.419 -8.868 4.936 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.034 -9.599 6.620 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.990 -10.752 5.301 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.604 -11.089 7.979 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.122 -11.833 7.519 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.842 -13.758 4.283 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.022 -14.228 5.529 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.044 -12.579 4.860 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.682 -7.934 6.546 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.688 -7.179 5.288 1.00 0.00 C ATOM 1120 C PRO A 73 -1.494 -7.521 4.394 1.00 0.00 C ATOM 1121 O PRO A 73 -0.896 -8.589 4.525 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.555 -5.759 5.813 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.562 -5.911 6.909 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.870 -7.237 7.563 1.00 0.00 C ATOM 0 HA PRO A 73 -3.562 -7.376 4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.206 -5.073 5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.506 -5.371 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.544 -5.894 6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.642 -5.094 7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.961 -7.790 7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.418 -7.108 8.497 1.00 0.00 H new ATOM 1132 N THR A 74 -1.139 -6.596 3.499 1.00 0.00 N ATOM 1133 CA THR A 74 -0.004 -6.787 2.598 1.00 0.00 C ATOM 1134 C THR A 74 0.514 -5.445 2.086 1.00 0.00 C ATOM 1135 O THR A 74 -0.254 -4.499 1.920 1.00 0.00 O ATOM 1136 CB THR A 74 -0.389 -7.668 1.413 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.920 -8.908 1.855 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.779 -7.965 0.493 1.00 0.00 C ATOM 0 H THR A 74 -1.623 -5.706 3.380 1.00 0.00 H new ATOM 0 HA THR A 74 0.785 -7.281 3.165 1.00 0.00 H new ATOM 0 HB THR A 74 -1.137 -7.101 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.743 -9.017 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.443 -8.595 -0.330 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.176 -7.031 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.559 -8.483 1.051 1.00 0.00 H new ATOM 1146 N LEU A 75 1.818 -5.371 1.832 1.00 0.00 N ATOM 1147 CA LEU A 75 2.430 -4.142 1.335 1.00 0.00 C ATOM 1148 C LEU A 75 2.871 -4.294 -0.119 1.00 0.00 C ATOM 1149 O LEU A 75 3.657 -5.182 -0.450 1.00 0.00 O ATOM 1150 CB LEU A 75 3.636 -3.760 2.197 1.00 0.00 C ATOM 1151 CG LEU A 75 3.319 -3.455 3.661 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.587 -3.090 4.413 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.294 -2.337 3.761 1.00 0.00 C ATOM 0 H LEU A 75 2.469 -6.145 1.962 1.00 0.00 H new ATOM 0 HA LEU A 75 1.680 -3.353 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.361 -4.573 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.115 -2.886 1.756 1.00 0.00 H new ATOM 0 HG LEU A 75 2.895 -4.349 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.344 -2.876 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.289 -3.923 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.039 -2.209 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.080 -2.133 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.690 -1.437 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.377 -2.638 3.255 1.00 0.00 H new ATOM 1165 N LEU A 76 2.369 -3.414 -0.983 1.00 0.00 N ATOM 1166 CA LEU A 76 2.722 -3.446 -2.399 1.00 0.00 C ATOM 1167 C LEU A 76 3.320 -2.112 -2.840 1.00 0.00 C ATOM 1168 O LEU A 76 2.744 -1.052 -2.594 1.00 0.00 O ATOM 1169 CB LEU A 76 1.498 -3.782 -3.258 1.00 0.00 C ATOM 1170 CG LEU A 76 0.866 -5.152 -2.985 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.102 -5.528 -4.096 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.940 -6.223 -2.827 1.00 0.00 C ATOM 0 H LEU A 76 1.718 -2.672 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 76 3.470 -4.226 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.742 -3.013 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.787 -3.736 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 76 0.309 -5.087 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.539 -6.503 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.893 -4.781 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.432 -5.569 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.468 -7.186 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.530 -6.285 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.591 -5.965 -1.992 1.00 0.00 H new ATOM 1184 N LEU A 77 4.479 -2.174 -3.487 1.00 0.00 N ATOM 1185 CA LEU A 77 5.159 -0.973 -3.961 1.00 0.00 C ATOM 1186 C LEU A 77 5.117 -0.887 -5.486 1.00 0.00 C ATOM 1187 O LEU A 77 5.171 -1.905 -6.175 1.00 0.00 O ATOM 1188 CB LEU A 77 6.610 -0.959 -3.472 1.00 0.00 C ATOM 1189 CG LEU A 77 6.787 -0.864 -1.954 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.166 -2.068 -1.263 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.260 -0.742 -1.596 1.00 0.00 C ATOM 0 H LEU A 77 4.968 -3.044 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 77 4.639 -0.105 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.103 -1.865 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.124 -0.117 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 77 6.272 0.031 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.303 -1.980 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.101 -2.109 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.648 -2.979 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.367 -0.676 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.797 -1.618 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.673 0.155 -2.057 1.00 0.00 H new ATOM 1203 N PHE A 78 5.003 0.335 -6.003 1.00 0.00 N ATOM 1204 CA PHE A 78 4.935 0.554 -7.448 1.00 0.00 C ATOM 1205 C PHE A 78 5.641 1.854 -7.838 1.00 0.00 C ATOM 1206 O PHE A 78 5.326 2.917 -7.303 1.00 0.00 O ATOM 1207 CB PHE A 78 3.469 0.624 -7.884 1.00 0.00 C ATOM 1208 CG PHE A 78 2.660 -0.567 -7.459 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.785 -1.780 -8.116 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.779 -0.474 -6.393 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.046 -2.877 -7.717 1.00 0.00 C ATOM 1212 CE2 PHE A 78 1.038 -1.570 -5.992 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.173 -2.772 -6.655 1.00 0.00 C ATOM 0 H PHE A 78 4.956 1.187 -5.445 1.00 0.00 H new ATOM 0 HA PHE A 78 5.435 -0.276 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.018 1.526 -7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.425 0.715 -8.969 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.467 -1.869 -8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.670 0.465 -5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.152 -3.817 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.354 -1.485 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.596 -3.630 -6.343 1.00 0.00 H new ATOM 1223 N LYS A 79 6.587 1.778 -8.776 1.00 0.00 N ATOM 1224 CA LYS A 79 7.307 2.974 -9.221 1.00 0.00 C ATOM 1225 C LYS A 79 6.983 3.314 -10.677 1.00 0.00 C ATOM 1226 O LYS A 79 7.008 2.443 -11.546 1.00 0.00 O ATOM 1227 CB LYS A 79 8.819 2.794 -9.053 1.00 0.00 C ATOM 1228 CG LYS A 79 9.296 2.900 -7.612 1.00 0.00 C ATOM 1229 CD LYS A 79 10.807 2.753 -7.514 1.00 0.00 C ATOM 1230 CE LYS A 79 11.274 1.406 -8.036 1.00 0.00 C ATOM 1231 NZ LYS A 79 12.754 1.257 -7.948 1.00 0.00 N ATOM 0 H LYS A 79 6.870 0.914 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 79 6.977 3.802 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.105 1.820 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.333 3.546 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.995 3.862 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.814 2.129 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.288 3.550 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.118 2.869 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.795 0.610 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.959 1.290 -9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.031 0.324 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.212 2.001 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.053 1.342 -6.956 1.00 0.00 H new ATOM 1245 N ASN A 80 6.688 4.591 -10.938 1.00 0.00 N ATOM 1246 CA ASN A 80 6.369 5.051 -12.291 1.00 0.00 C ATOM 1247 C ASN A 80 5.342 4.143 -12.971 1.00 0.00 C ATOM 1248 O ASN A 80 5.563 3.659 -14.081 1.00 0.00 O ATOM 1249 CB ASN A 80 7.642 5.121 -13.137 1.00 0.00 C ATOM 1250 CG ASN A 80 8.668 6.077 -12.558 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.130 5.902 -11.431 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.029 7.094 -13.332 1.00 0.00 N ATOM 0 H ASN A 80 6.664 5.324 -10.229 1.00 0.00 H new ATOM 0 HA ASN A 80 5.932 6.046 -12.206 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.079 4.126 -13.214 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.386 5.436 -14.149 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.716 7.770 -12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.619 7.199 -14.260 1.00 0.00 H new ATOM 1259 N GLY A 81 4.217 3.924 -12.301 1.00 0.00 N ATOM 1260 CA GLY A 81 3.168 3.084 -12.849 1.00 0.00 C ATOM 1261 C GLY A 81 3.631 1.667 -13.132 1.00 0.00 C ATOM 1262 O GLY A 81 2.963 0.922 -13.851 1.00 0.00 O ATOM 0 H GLY A 81 4.011 4.316 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.332 3.055 -12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.797 3.530 -13.772 1.00 0.00 H new ATOM 1266 N LYS A 82 4.768 1.289 -12.561 1.00 0.00 N ATOM 1267 CA LYS A 82 5.313 -0.048 -12.746 1.00 0.00 C ATOM 1268 C LYS A 82 5.231 -0.827 -11.440 1.00 0.00 C ATOM 1269 O LYS A 82 4.380 -0.551 -10.595 1.00 0.00 O ATOM 1270 CB LYS A 82 6.763 0.035 -13.243 1.00 0.00 C ATOM 1271 CG LYS A 82 6.927 0.840 -14.522 1.00 0.00 C ATOM 1272 CD LYS A 82 6.083 0.269 -15.651 1.00 0.00 C ATOM 1273 CE LYS A 82 6.247 1.074 -16.929 1.00 0.00 C ATOM 1274 NZ LYS A 82 5.426 0.524 -18.042 1.00 0.00 N ATOM 0 H LYS A 82 5.332 1.893 -11.963 1.00 0.00 H new ATOM 0 HA LYS A 82 4.725 -0.573 -13.499 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.380 0.480 -12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.139 -0.975 -13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.641 1.876 -14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.976 0.846 -14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.369 -0.767 -15.833 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.034 0.263 -15.355 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.961 2.110 -16.745 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.297 1.080 -17.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.566 1.102 -18.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.716 -0.456 -18.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.421 0.541 -17.774 1.00 0.00 H new ATOM 1288 N GLU A 83 6.115 -1.794 -11.278 1.00 0.00 N ATOM 1289 CA GLU A 83 6.142 -2.610 -10.075 1.00 0.00 C ATOM 1290 C GLU A 83 7.371 -2.249 -9.247 1.00 0.00 C ATOM 1291 O GLU A 83 8.204 -1.451 -9.679 1.00 0.00 O ATOM 1292 CB GLU A 83 6.180 -4.095 -10.460 1.00 0.00 C ATOM 1293 CG GLU A 83 5.560 -5.032 -9.430 1.00 0.00 C ATOM 1294 CD GLU A 83 4.065 -4.837 -9.290 1.00 0.00 C ATOM 1295 OE1 GLU A 83 3.510 -3.960 -9.986 1.00 0.00 O ATOM 1296 OE2 GLU A 83 3.446 -5.564 -8.483 1.00 0.00 O ATOM 0 H GLU A 83 6.827 -2.035 -11.967 1.00 0.00 H new ATOM 0 HA GLU A 83 5.246 -2.423 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.660 -4.224 -11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.217 -4.389 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.763 -6.064 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.036 -4.869 -8.463 1.00 0.00 H new ATOM 1303 N VAL A 84 7.472 -2.818 -8.053 1.00 0.00 N ATOM 1304 CA VAL A 84 8.598 -2.551 -7.171 1.00 0.00 C ATOM 1305 C VAL A 84 8.913 -3.760 -6.300 1.00 0.00 C ATOM 1306 O VAL A 84 9.992 -4.346 -6.399 1.00 0.00 O ATOM 1307 CB VAL A 84 8.337 -1.344 -6.277 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.527 -1.063 -5.369 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.992 -0.123 -7.110 1.00 0.00 C ATOM 0 H VAL A 84 6.785 -3.469 -7.673 1.00 0.00 H new ATOM 0 HA VAL A 84 9.454 -2.336 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 84 7.482 -1.576 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.311 -0.197 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.714 -1.930 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.409 -0.861 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.810 0.727 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.821 0.107 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.097 -0.325 -7.698 1.00 0.00 H new ATOM 1319 N ALA A 85 7.962 -4.132 -5.450 1.00 0.00 N ATOM 1320 CA ALA A 85 8.139 -5.275 -4.564 1.00 0.00 C ATOM 1321 C ALA A 85 6.835 -5.636 -3.863 1.00 0.00 C ATOM 1322 O ALA A 85 5.902 -4.833 -3.809 1.00 0.00 O ATOM 1323 CB ALA A 85 9.226 -4.984 -3.539 1.00 0.00 C ATOM 0 H ALA A 85 7.063 -3.659 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 85 8.443 -6.128 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.348 -5.846 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.166 -4.783 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.943 -4.114 -2.946 1.00 0.00 H new ATOM 1329 N LYS A 86 6.781 -6.846 -3.320 1.00 0.00 N ATOM 1330 CA LYS A 86 5.596 -7.317 -2.613 1.00 0.00 C ATOM 1331 C LYS A 86 5.992 -8.075 -1.351 1.00 0.00 C ATOM 1332 O LYS A 86 6.623 -9.130 -1.419 1.00 0.00 O ATOM 1333 CB LYS A 86 4.747 -8.207 -3.523 1.00 0.00 C ATOM 1334 CG LYS A 86 5.492 -9.418 -4.064 1.00 0.00 C ATOM 1335 CD LYS A 86 4.613 -10.241 -4.992 1.00 0.00 C ATOM 1336 CE LYS A 86 5.360 -11.447 -5.541 1.00 0.00 C ATOM 1337 NZ LYS A 86 4.511 -12.259 -6.456 1.00 0.00 N ATOM 0 H LYS A 86 7.546 -7.520 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 86 5.002 -6.450 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.872 -8.548 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.382 -7.612 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.382 -9.090 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.830 -10.039 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.726 -10.575 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.269 -9.618 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.249 -11.111 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.701 -12.070 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.058 -13.071 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.675 -12.602 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.207 -11.672 -7.259 1.00 0.00 H new ATOM 1351 N VAL A 87 5.625 -7.527 -0.197 1.00 0.00 N ATOM 1352 CA VAL A 87 5.951 -8.150 1.080 1.00 0.00 C ATOM 1353 C VAL A 87 4.758 -8.119 2.028 1.00 0.00 C ATOM 1354 O VAL A 87 4.495 -7.108 2.681 1.00 0.00 O ATOM 1355 CB VAL A 87 7.150 -7.450 1.753 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.532 -8.152 3.049 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.335 -7.389 0.801 1.00 0.00 C ATOM 0 H VAL A 87 5.103 -6.654 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 87 6.215 -9.187 0.870 1.00 0.00 H new ATOM 0 HB VAL A 87 6.855 -6.430 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.380 -7.640 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.686 -8.134 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.805 -9.186 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.171 -6.892 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.628 -8.400 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.056 -6.831 -0.092 1.00 0.00 H new ATOM 1367 N VAL A 88 4.040 -9.235 2.105 1.00 0.00 N ATOM 1368 CA VAL A 88 2.879 -9.341 2.980 1.00 0.00 C ATOM 1369 C VAL A 88 3.257 -9.038 4.429 1.00 0.00 C ATOM 1370 O VAL A 88 4.056 -9.751 5.038 1.00 0.00 O ATOM 1371 CB VAL A 88 2.231 -10.741 2.881 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.289 -11.828 3.000 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.156 -10.929 3.944 1.00 0.00 C ATOM 0 H VAL A 88 4.243 -10.080 1.571 1.00 0.00 H new ATOM 0 HA VAL A 88 2.151 -8.601 2.649 1.00 0.00 H new ATOM 0 HB VAL A 88 1.755 -10.820 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.815 -12.807 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.016 -11.717 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.795 -11.740 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.719 -11.923 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.600 -10.822 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.378 -10.177 3.812 1.00 0.00 H new ATOM 1383 N GLY A 89 2.679 -7.971 4.970 1.00 0.00 N ATOM 1384 CA GLY A 89 2.961 -7.575 6.336 1.00 0.00 C ATOM 1385 C GLY A 89 3.042 -6.069 6.485 1.00 0.00 C ATOM 1386 O GLY A 89 2.258 -5.344 5.875 1.00 0.00 O ATOM 0 H GLY A 89 2.015 -7.370 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.183 -7.963 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.902 -8.022 6.656 1.00 0.00 H new ATOM 1390 N ALA A 90 3.997 -5.608 7.294 1.00 0.00 N ATOM 1391 CA ALA A 90 4.211 -4.174 7.538 1.00 0.00 C ATOM 1392 C ALA A 90 4.717 -3.934 8.956 1.00 0.00 C ATOM 1393 O ALA A 90 4.354 -2.949 9.598 1.00 0.00 O ATOM 1394 CB ALA A 90 2.939 -3.367 7.303 1.00 0.00 C ATOM 0 H ALA A 90 4.644 -6.213 7.799 1.00 0.00 H new ATOM 0 HA ALA A 90 4.966 -3.838 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.137 -2.312 7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.613 -3.494 6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.157 -3.717 7.977 1.00 0.00 H new ATOM 1400 N ASN A 91 5.558 -4.840 9.438 1.00 0.00 N ATOM 1401 CA ASN A 91 6.116 -4.734 10.767 1.00 0.00 C ATOM 1402 C ASN A 91 7.383 -3.887 10.750 1.00 0.00 C ATOM 1403 O ASN A 91 8.159 -3.945 9.797 1.00 0.00 O ATOM 1404 CB ASN A 91 6.425 -6.131 11.291 1.00 0.00 C ATOM 1405 CG ASN A 91 5.175 -6.968 11.489 1.00 0.00 C ATOM 1406 OD1 ASN A 91 4.290 -6.608 12.266 1.00 0.00 O ATOM 1407 ND2 ASN A 91 5.098 -8.090 10.784 1.00 0.00 N ATOM 0 H ASN A 91 5.867 -5.661 8.918 1.00 0.00 H new ATOM 0 HA ASN A 91 5.392 -4.249 11.422 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.091 -6.638 10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.958 -6.050 12.238 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.281 -8.694 10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.856 -8.348 10.152 1.00 0.00 H new ATOM 1414 N PRO A 92 7.609 -3.083 11.804 1.00 0.00 N ATOM 1415 CA PRO A 92 8.793 -2.221 11.901 1.00 0.00 C ATOM 1416 C PRO A 92 10.085 -2.970 11.600 1.00 0.00 C ATOM 1417 O PRO A 92 10.760 -3.454 12.510 1.00 0.00 O ATOM 1418 CB PRO A 92 8.765 -1.762 13.358 1.00 0.00 C ATOM 1419 CG PRO A 92 7.321 -1.763 13.704 1.00 0.00 C ATOM 1420 CD PRO A 92 6.735 -2.946 12.986 1.00 0.00 C ATOM 0 HA PRO A 92 8.769 -1.405 11.178 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.330 -2.437 14.001 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.203 -0.771 13.473 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.176 -1.847 14.781 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.842 -0.836 13.389 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.751 -3.843 13.606 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.697 -2.773 12.703 1.00 0.00 H new ATOM 1428 N ALA A 93 10.426 -3.066 10.318 1.00 0.00 N ATOM 1429 CA ALA A 93 11.637 -3.762 9.901 1.00 0.00 C ATOM 1430 C ALA A 93 11.811 -3.722 8.385 1.00 0.00 C ATOM 1431 O ALA A 93 12.931 -3.609 7.887 1.00 0.00 O ATOM 1432 CB ALA A 93 11.613 -5.203 10.389 1.00 0.00 C ATOM 0 H ALA A 93 9.881 -2.671 9.552 1.00 0.00 H new ATOM 0 HA ALA A 93 12.487 -3.248 10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.524 -5.710 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.551 -5.218 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.747 -5.715 9.970 1.00 0.00 H new ATOM 1438 N ALA A 94 10.703 -3.824 7.651 1.00 0.00 N ATOM 1439 CA ALA A 94 10.762 -3.806 6.193 1.00 0.00 C ATOM 1440 C ALA A 94 9.899 -2.705 5.600 1.00 0.00 C ATOM 1441 O ALA A 94 10.333 -1.997 4.693 1.00 0.00 O ATOM 1442 CB ALA A 94 10.363 -5.162 5.629 1.00 0.00 C ATOM 0 H ALA A 94 9.764 -3.919 8.038 1.00 0.00 H new ATOM 0 HA ALA A 94 11.793 -3.594 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.412 -5.132 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.045 -5.926 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.346 -5.400 5.940 1.00 0.00 H new ATOM 1448 N ILE A 95 8.684 -2.549 6.108 1.00 0.00 N ATOM 1449 CA ILE A 95 7.790 -1.514 5.612 1.00 0.00 C ATOM 1450 C ILE A 95 8.484 -0.150 5.564 1.00 0.00 C ATOM 1451 O ILE A 95 8.034 0.756 4.866 1.00 0.00 O ATOM 1452 CB ILE A 95 6.519 -1.423 6.482 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.637 -0.241 6.064 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.896 -1.305 7.951 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.295 -0.211 4.589 1.00 0.00 C ATOM 0 H ILE A 95 8.298 -3.122 6.858 1.00 0.00 H new ATOM 0 HA ILE A 95 7.506 -1.791 4.597 1.00 0.00 H new ATOM 0 HB ILE A 95 5.945 -2.337 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.712 -0.272 6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.145 0.687 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.991 -1.241 8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.471 -2.181 8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.496 -0.408 8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.669 0.656 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.212 -0.147 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.757 -1.121 4.322 1.00 0.00 H new ATOM 1467 N LYS A 96 9.588 -0.011 6.300 1.00 0.00 N ATOM 1468 CA LYS A 96 10.333 1.246 6.315 1.00 0.00 C ATOM 1469 C LYS A 96 11.425 1.245 5.254 1.00 0.00 C ATOM 1470 O LYS A 96 11.549 2.187 4.472 1.00 0.00 O ATOM 1471 CB LYS A 96 10.934 1.519 7.700 1.00 0.00 C ATOM 1472 CG LYS A 96 11.945 0.481 8.161 1.00 0.00 C ATOM 1473 CD LYS A 96 12.563 0.864 9.497 1.00 0.00 C ATOM 1474 CE LYS A 96 11.509 1.006 10.584 1.00 0.00 C ATOM 1475 NZ LYS A 96 10.793 -0.274 10.831 1.00 0.00 N ATOM 0 H LYS A 96 9.982 -0.746 6.887 1.00 0.00 H new ATOM 0 HA LYS A 96 9.630 2.047 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.415 2.497 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.126 1.571 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.458 -0.490 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.730 0.377 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.290 0.107 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.105 1.803 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.982 1.342 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.791 1.774 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.168 -0.169 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.225 -0.521 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.485 -1.029 11.015 1.00 0.00 H new ATOM 1489 N GLN A 97 12.215 0.177 5.234 1.00 0.00 N ATOM 1490 CA GLN A 97 13.299 0.047 4.271 1.00 0.00 C ATOM 1491 C GLN A 97 12.744 -0.149 2.868 1.00 0.00 C ATOM 1492 O GLN A 97 13.340 0.288 1.884 1.00 0.00 O ATOM 1493 CB GLN A 97 14.205 -1.127 4.642 1.00 0.00 C ATOM 1494 CG GLN A 97 14.844 -0.991 6.017 1.00 0.00 C ATOM 1495 CD GLN A 97 15.753 -2.158 6.385 1.00 0.00 C ATOM 1496 OE1 GLN A 97 15.882 -3.141 5.494 1.00 0.00 O flip ATOM 1497 NE2 GLN A 97 16.337 -2.176 7.470 1.00 0.00 N flip ATOM 0 H GLN A 97 12.124 -0.611 5.875 1.00 0.00 H new ATOM 0 HA GLN A 97 13.886 0.965 4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.624 -2.048 4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.991 -1.220 3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.421 -0.067 6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.058 -0.903 6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.215 -1.406 8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.943 -2.961 7.710 1.00 0.00 H new ATOM 1506 N ALA A 98 11.592 -0.805 2.786 1.00 0.00 N ATOM 1507 CA ALA A 98 10.951 -1.054 1.503 1.00 0.00 C ATOM 1508 C ALA A 98 10.597 0.261 0.818 1.00 0.00 C ATOM 1509 O ALA A 98 10.531 0.340 -0.409 1.00 0.00 O ATOM 1510 CB ALA A 98 9.704 -1.907 1.691 1.00 0.00 C ATOM 0 H ALA A 98 11.085 -1.173 3.591 1.00 0.00 H new ATOM 0 HA ALA A 98 11.651 -1.596 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.235 -2.085 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.980 -2.861 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.003 -1.387 2.344 1.00 0.00 H new ATOM 1516 N ILE A 99 10.370 1.292 1.623 1.00 0.00 N ATOM 1517 CA ILE A 99 10.023 2.610 1.112 1.00 0.00 C ATOM 1518 C ILE A 99 11.270 3.464 0.869 1.00 0.00 C ATOM 1519 O ILE A 99 11.193 4.527 0.253 1.00 0.00 O ATOM 1520 CB ILE A 99 9.093 3.347 2.098 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.874 2.481 2.419 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.656 4.687 1.521 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.971 3.080 3.477 1.00 0.00 C ATOM 0 H ILE A 99 10.421 1.238 2.640 1.00 0.00 H new ATOM 0 HA ILE A 99 9.509 2.461 0.162 1.00 0.00 H new ATOM 0 HB ILE A 99 9.642 3.534 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.298 2.325 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.212 1.500 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.001 5.192 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.533 5.306 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.121 4.523 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.127 2.413 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.532 3.210 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.603 4.048 3.136 1.00 0.00 H new ATOM 1535 N ALA A 100 12.414 3.001 1.364 1.00 0.00 N ATOM 1536 CA ALA A 100 13.668 3.728 1.206 1.00 0.00 C ATOM 1537 C ALA A 100 14.399 3.310 -0.062 1.00 0.00 C ATOM 1538 O ALA A 100 14.433 4.050 -1.046 1.00 0.00 O ATOM 1539 CB ALA A 100 14.557 3.516 2.422 1.00 0.00 C ATOM 0 H ALA A 100 12.498 2.124 1.879 1.00 0.00 H new ATOM 0 HA ALA A 100 13.430 4.788 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.490 4.064 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.046 3.878 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.773 2.454 2.534 1.00 0.00 H new ATOM 1545 N ALA A 101 14.990 2.119 -0.028 1.00 0.00 N ATOM 1546 CA ALA A 101 15.732 1.591 -1.168 1.00 0.00 C ATOM 1547 C ALA A 101 14.958 1.776 -2.469 1.00 0.00 C ATOM 1548 O ALA A 101 15.552 1.916 -3.539 1.00 0.00 O ATOM 1549 CB ALA A 101 16.054 0.121 -0.952 1.00 0.00 C ATOM 0 H ALA A 101 14.969 1.499 0.781 1.00 0.00 H new ATOM 0 HA ALA A 101 16.663 2.151 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.608 -0.260 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.658 0.009 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.127 -0.442 -0.839 1.00 0.00 H new ATOM 1555 N ASN A 102 13.633 1.777 -2.374 1.00 0.00 N ATOM 1556 CA ASN A 102 12.789 1.943 -3.538 1.00 0.00 C ATOM 1557 C ASN A 102 12.478 3.416 -3.791 1.00 0.00 C ATOM 1558 O ASN A 102 12.503 3.878 -4.931 1.00 0.00 O ATOM 1559 CB ASN A 102 11.500 1.154 -3.348 1.00 0.00 C ATOM 1560 CG ASN A 102 11.718 -0.343 -3.461 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.168 -0.840 -4.494 1.00 0.00 O ATOM 1562 ND2 ASN A 102 11.400 -1.071 -2.398 1.00 0.00 N ATOM 0 H ASN A 102 13.125 1.664 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 102 13.322 1.564 -4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.077 1.384 -2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.770 1.470 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.526 -2.083 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.030 -0.618 -1.562 1.00 0.00 H new ATOM 1569 N ALA A 103 12.187 4.150 -2.720 1.00 0.00 N ATOM 1570 CA ALA A 103 11.875 5.568 -2.832 1.00 0.00 C ATOM 1571 C ALA A 103 13.039 6.426 -2.346 1.00 0.00 C ATOM 1572 O ALA A 103 13.804 6.922 -3.200 1.00 0.00 O ATOM 1573 CB ALA A 103 10.612 5.895 -2.049 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.177 6.596 -1.116 1.00 0.00 O ATOM 0 H ALA A 103 12.161 3.785 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 103 11.705 5.795 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.391 6.958 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.778 5.315 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.761 5.646 -0.998 1.00 0.00 H new