USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 989 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 117 ASN : amide:sc= -2.43! K(o=-2.5!,f=-0.038) USER MOD Set 1.2: A 122 THR OG1 : rot 77:sc= -0.0205 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 135 HIS : no HD1:sc= 1.06 K(o=1.1,f=-3.8!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ 158:sc= 0.947 (180deg=-0.519) USER MOD Set 3.2: A 24 THR OG1 : rot 171:sc= 1.04 USER MOD Set 4.1: A 4 SER OG : rot 18:sc= 1.02 USER MOD Set 4.2: A 56 LYS NZ :NH3+ 169:sc= 1.1 (180deg=-0.167) USER MOD Single : A 2 SER OG : rot 29:sc= -0.396 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 29:sc= 0.0242 USER MOD Single : A 8 ASN : amide:sc= -0.553 K(o=-0.55,f=-2.5) USER MOD Single : A 9 SER OG : rot -6:sc= 0.941 USER MOD Single : A 14 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-1.7!) USER MOD Single : A 16 THR OG1 : rot 100:sc= 0.282 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 45:sc= 0.126 USER MOD Single : A 28 THR OG1 : rot 120:sc= 2.03 USER MOD Single : A 30 ASN : amide:sc=-0.00332 K(o=-0.0033,f=-0.51) USER MOD Single : A 31 ASN : amide:sc=-0.00414 K(o=-0.0041,f=-0.9) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.147) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 51 HIS : no HD1:sc= -0.382 X(o=-0.38,f=0.047) USER MOD Single : A 60 LYS NZ :NH3+ -138:sc= 1.15 (180deg=-0.478!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -123:sc= 1.11 USER MOD Single : A 75 SER OG : rot 45:sc= 1.12 USER MOD Single : A 80 GLN : amide:sc= 0.0714 X(o=0.071,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 88 MET CE :methyl -160:sc= -0.111 (180deg=-0.56) USER MOD Single : A 99 MET CE :methyl -175:sc= -2.27 (180deg=-2.32) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 161:sc= -0.0642 (180deg=-0.421) USER MOD Single : A 107 SER OG : rot 126:sc= 1.21 USER MOD Single : A 109 MET CE :methyl -164:sc= -0.0177 (180deg=-0.286) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= 1.15 K(o=1.1,f=-0.52) USER MOD Single : A 133 THR OG1 : rot 31:sc= 0.215 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 21.731 -4.536 8.152 1.00 0.00 N ATOM 21 CA SER A 2 21.519 -3.777 6.934 1.00 0.00 C ATOM 22 C SER A 2 21.539 -2.281 7.213 1.00 0.00 C ATOM 23 O SER A 2 20.503 -1.666 7.477 1.00 0.00 O ATOM 24 CB SER A 2 20.199 -4.180 6.275 1.00 0.00 C ATOM 25 OG SER A 2 20.219 -5.550 5.901 1.00 0.00 O ATOM 0 HA SER A 2 22.335 -4.004 6.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.374 -3.998 6.963 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.023 -3.561 5.395 1.00 0.00 H new ATOM 0 HG SER A 2 20.804 -6.047 6.510 1.00 0.00 H new ATOM 31 N GLU A 3 22.731 -1.709 7.180 1.00 0.00 N ATOM 32 CA GLU A 3 22.887 -0.267 7.275 1.00 0.00 C ATOM 33 C GLU A 3 22.610 0.337 5.910 1.00 0.00 C ATOM 34 O GLU A 3 22.208 1.494 5.778 1.00 0.00 O ATOM 35 CB GLU A 3 24.301 0.080 7.734 1.00 0.00 C ATOM 36 CG GLU A 3 24.676 -0.574 9.049 1.00 0.00 C ATOM 37 CD GLU A 3 26.131 -0.377 9.410 1.00 0.00 C ATOM 38 OE1 GLU A 3 26.468 0.664 10.008 1.00 0.00 O ATOM 39 OE2 GLU A 3 26.951 -1.269 9.104 1.00 0.00 O ATOM 0 H GLU A 3 23.607 -2.223 7.088 1.00 0.00 H new ATOM 0 HA GLU A 3 22.186 0.137 8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.011 -0.227 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.389 1.162 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.051 -0.166 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.462 -1.641 8.992 1.00 0.00 H new ATOM 46 N SER A 4 22.830 -0.489 4.901 1.00 0.00 N ATOM 47 CA SER A 4 22.529 -0.147 3.526 1.00 0.00 C ATOM 48 C SER A 4 21.468 -1.109 2.995 1.00 0.00 C ATOM 49 O SER A 4 21.576 -2.325 3.181 1.00 0.00 O ATOM 50 CB SER A 4 23.800 -0.241 2.680 1.00 0.00 C ATOM 51 OG SER A 4 23.583 0.223 1.358 1.00 0.00 O ATOM 0 H SER A 4 23.226 -1.422 5.017 1.00 0.00 H new ATOM 0 HA SER A 4 22.150 0.874 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.592 0.345 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 4 24.143 -1.275 2.651 1.00 0.00 H new ATOM 0 HG SER A 4 22.769 0.768 1.332 1.00 0.00 H new ATOM 57 N VAL A 5 20.446 -0.569 2.348 1.00 0.00 N ATOM 58 CA VAL A 5 19.371 -1.385 1.811 1.00 0.00 C ATOM 59 C VAL A 5 19.816 -2.073 0.530 1.00 0.00 C ATOM 60 O VAL A 5 20.555 -1.507 -0.275 1.00 0.00 O ATOM 61 CB VAL A 5 18.083 -0.562 1.547 1.00 0.00 C ATOM 62 CG1 VAL A 5 18.319 0.549 0.552 1.00 0.00 C ATOM 63 CG2 VAL A 5 16.951 -1.462 1.079 1.00 0.00 C ATOM 0 H VAL A 5 20.340 0.432 2.183 1.00 0.00 H new ATOM 0 HA VAL A 5 19.134 -2.135 2.565 1.00 0.00 H new ATOM 0 HB VAL A 5 17.796 -0.103 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 5 17.392 1.101 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 5 19.083 1.225 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.653 0.125 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.059 -0.862 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.242 -1.963 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.739 -2.208 1.845 1.00 0.00 H new ATOM 73 N GLN A 6 19.367 -3.296 0.360 1.00 0.00 N ATOM 74 CA GLN A 6 19.699 -4.081 -0.806 1.00 0.00 C ATOM 75 C GLN A 6 18.422 -4.600 -1.437 1.00 0.00 C ATOM 76 O GLN A 6 17.348 -4.480 -0.845 1.00 0.00 O ATOM 77 CB GLN A 6 20.606 -5.237 -0.424 1.00 0.00 C ATOM 78 CG GLN A 6 19.967 -6.167 0.573 1.00 0.00 C ATOM 79 CD GLN A 6 20.990 -6.813 1.470 1.00 0.00 C ATOM 80 OE1 GLN A 6 21.499 -7.891 1.174 1.00 0.00 O ATOM 81 NE2 GLN A 6 21.309 -6.144 2.562 1.00 0.00 N ATOM 0 H GLN A 6 18.761 -3.774 1.027 1.00 0.00 H new ATOM 0 HA GLN A 6 20.229 -3.455 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.872 -5.798 -1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 6 21.533 -4.844 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.250 -5.613 1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.408 -6.939 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.858 -5.252 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 6 22.007 -6.519 3.204 1.00 0.00 H new ATOM 90 N SER A 7 18.526 -5.133 -2.637 1.00 0.00 N ATOM 91 CA SER A 7 17.389 -5.755 -3.282 1.00 0.00 C ATOM 92 C SER A 7 16.814 -6.855 -2.382 1.00 0.00 C ATOM 93 O SER A 7 17.562 -7.685 -1.859 1.00 0.00 O ATOM 94 CB SER A 7 17.818 -6.310 -4.640 1.00 0.00 C ATOM 95 OG SER A 7 18.960 -7.145 -4.516 1.00 0.00 O ATOM 0 H SER A 7 19.386 -5.148 -3.185 1.00 0.00 H new ATOM 0 HA SER A 7 16.605 -5.016 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.997 -6.876 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 7 18.038 -5.486 -5.319 1.00 0.00 H new ATOM 0 HG SER A 7 18.969 -7.557 -3.627 1.00 0.00 H new ATOM 101 N ASN A 8 15.494 -6.815 -2.178 1.00 0.00 N ATOM 102 CA ASN A 8 14.797 -7.747 -1.280 1.00 0.00 C ATOM 103 C ASN A 8 15.167 -7.476 0.186 1.00 0.00 C ATOM 104 O ASN A 8 15.386 -8.395 0.971 1.00 0.00 O ATOM 105 CB ASN A 8 15.094 -9.207 -1.652 1.00 0.00 C ATOM 106 CG ASN A 8 14.185 -10.197 -0.941 1.00 0.00 C ATOM 107 OD1 ASN A 8 13.016 -9.911 -0.684 1.00 0.00 O ATOM 108 ND2 ASN A 8 14.713 -11.370 -0.624 1.00 0.00 N ATOM 0 H ASN A 8 14.878 -6.138 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 8 13.726 -7.582 -1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.985 -9.331 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.132 -9.435 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.146 -12.073 -0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.686 -11.570 -0.854 1.00 0.00 H new ATOM 115 N SER A 9 15.265 -6.201 0.539 1.00 0.00 N ATOM 116 CA SER A 9 15.467 -5.800 1.923 1.00 0.00 C ATOM 117 C SER A 9 14.503 -4.668 2.247 1.00 0.00 C ATOM 118 O SER A 9 14.471 -3.658 1.552 1.00 0.00 O ATOM 119 CB SER A 9 16.919 -5.363 2.136 1.00 0.00 C ATOM 120 OG SER A 9 17.228 -5.158 3.507 1.00 0.00 O ATOM 0 H SER A 9 15.207 -5.424 -0.119 1.00 0.00 H new ATOM 0 HA SER A 9 15.271 -6.639 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.587 -6.120 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 17.103 -4.442 1.583 1.00 0.00 H new ATOM 0 HG SER A 9 16.412 -5.244 4.043 1.00 0.00 H new ATOM 126 N ALA A 10 13.725 -4.838 3.298 1.00 0.00 N ATOM 127 CA ALA A 10 12.641 -3.918 3.595 1.00 0.00 C ATOM 128 C ALA A 10 13.157 -2.706 4.346 1.00 0.00 C ATOM 129 O ALA A 10 14.123 -2.800 5.089 1.00 0.00 O ATOM 130 CB ALA A 10 11.571 -4.630 4.404 1.00 0.00 C ATOM 0 H ALA A 10 13.822 -5.606 3.963 1.00 0.00 H new ATOM 0 HA ALA A 10 12.206 -3.573 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.760 -3.936 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.183 -5.472 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.002 -4.993 5.337 1.00 0.00 H new ATOM 136 N VAL A 11 12.531 -1.561 4.146 1.00 0.00 N ATOM 137 CA VAL A 11 12.959 -0.363 4.843 1.00 0.00 C ATOM 138 C VAL A 11 11.816 0.257 5.629 1.00 0.00 C ATOM 139 O VAL A 11 10.667 0.278 5.184 1.00 0.00 O ATOM 140 CB VAL A 11 13.577 0.697 3.899 1.00 0.00 C ATOM 141 CG1 VAL A 11 14.651 0.073 3.029 1.00 0.00 C ATOM 142 CG2 VAL A 11 12.523 1.381 3.042 1.00 0.00 C ATOM 0 H VAL A 11 11.738 -1.435 3.518 1.00 0.00 H new ATOM 0 HA VAL A 11 13.739 -0.684 5.533 1.00 0.00 H new ATOM 0 HB VAL A 11 14.033 1.464 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.074 0.833 2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.438 -0.339 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.214 -0.724 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.001 2.117 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.013 0.637 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.799 1.880 3.686 1.00 0.00 H new ATOM 152 N LEU A 12 12.148 0.727 6.811 1.00 0.00 N ATOM 153 CA LEU A 12 11.223 1.469 7.640 1.00 0.00 C ATOM 154 C LEU A 12 11.351 2.934 7.271 1.00 0.00 C ATOM 155 O LEU A 12 12.397 3.549 7.503 1.00 0.00 O ATOM 156 CB LEU A 12 11.534 1.287 9.134 1.00 0.00 C ATOM 157 CG LEU A 12 11.390 -0.136 9.701 1.00 0.00 C ATOM 158 CD1 LEU A 12 12.460 -1.067 9.149 1.00 0.00 C ATOM 159 CD2 LEU A 12 11.466 -0.105 11.215 1.00 0.00 C ATOM 0 H LEU A 12 13.071 0.605 7.226 1.00 0.00 H new ATOM 0 HA LEU A 12 10.211 1.103 7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.556 1.623 9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.878 1.947 9.701 1.00 0.00 H new ATOM 0 HG LEU A 12 10.417 -0.519 9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.328 -2.063 9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.373 -1.118 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.446 -0.687 9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.363 -1.117 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.427 0.306 11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.662 0.518 11.607 1.00 0.00 H new ATOM 171 N VAL A 13 10.315 3.492 6.686 1.00 0.00 N ATOM 172 CA VAL A 13 10.395 4.825 6.130 1.00 0.00 C ATOM 173 C VAL A 13 9.303 5.708 6.703 1.00 0.00 C ATOM 174 O VAL A 13 8.271 5.224 7.171 1.00 0.00 O ATOM 175 CB VAL A 13 10.301 4.775 4.580 1.00 0.00 C ATOM 176 CG1 VAL A 13 9.231 3.792 4.128 1.00 0.00 C ATOM 177 CG2 VAL A 13 10.030 6.144 3.977 1.00 0.00 C ATOM 0 H VAL A 13 9.405 3.043 6.583 1.00 0.00 H new ATOM 0 HA VAL A 13 11.360 5.254 6.402 1.00 0.00 H new ATOM 0 HB VAL A 13 11.272 4.436 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.187 3.777 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.475 2.795 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.264 4.099 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.973 6.059 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.086 6.530 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.837 6.826 4.245 1.00 0.00 H new ATOM 187 N HIS A 14 9.533 7.003 6.660 1.00 0.00 N ATOM 188 CA HIS A 14 8.567 7.982 7.095 1.00 0.00 C ATOM 189 C HIS A 14 8.473 9.008 5.977 1.00 0.00 C ATOM 190 O HIS A 14 9.440 9.707 5.688 1.00 0.00 O ATOM 191 CB HIS A 14 9.039 8.592 8.421 1.00 0.00 C ATOM 192 CG HIS A 14 8.267 9.768 8.922 1.00 0.00 C ATOM 193 ND1 HIS A 14 7.224 9.669 9.814 1.00 0.00 N ATOM 194 CD2 HIS A 14 8.443 11.082 8.697 1.00 0.00 C ATOM 195 CE1 HIS A 14 6.791 10.877 10.113 1.00 0.00 C ATOM 196 NE2 HIS A 14 7.513 11.758 9.448 1.00 0.00 N ATOM 0 H HIS A 14 10.405 7.407 6.318 1.00 0.00 H new ATOM 0 HA HIS A 14 7.580 7.558 7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.011 7.814 9.184 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.081 8.890 8.308 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.181 11.525 8.045 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.981 11.107 10.789 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.400 12.771 9.485 1.00 0.00 H new ATOM 205 N PHE A 15 7.323 9.066 5.337 1.00 0.00 N ATOM 206 CA PHE A 15 7.221 9.737 4.050 1.00 0.00 C ATOM 207 C PHE A 15 5.924 10.509 3.875 1.00 0.00 C ATOM 208 O PHE A 15 5.043 10.521 4.735 1.00 0.00 O ATOM 209 CB PHE A 15 7.394 8.727 2.899 1.00 0.00 C ATOM 210 CG PHE A 15 6.304 7.694 2.783 1.00 0.00 C ATOM 211 CD1 PHE A 15 5.153 7.958 2.054 1.00 0.00 C ATOM 212 CD2 PHE A 15 6.437 6.456 3.385 1.00 0.00 C ATOM 213 CE1 PHE A 15 4.158 7.009 1.934 1.00 0.00 C ATOM 214 CE2 PHE A 15 5.447 5.500 3.265 1.00 0.00 C ATOM 215 CZ PHE A 15 4.306 5.778 2.540 1.00 0.00 C ATOM 0 H PHE A 15 6.451 8.662 5.680 1.00 0.00 H new ATOM 0 HA PHE A 15 8.028 10.469 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.453 9.277 1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.347 8.214 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.034 8.918 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.326 6.234 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.266 7.229 1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.566 4.536 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.530 5.033 2.447 1.00 0.00 H new ATOM 225 N THR A 16 5.815 11.104 2.704 1.00 0.00 N ATOM 226 CA THR A 16 4.696 11.957 2.366 1.00 0.00 C ATOM 227 C THR A 16 4.366 11.753 0.896 1.00 0.00 C ATOM 228 O THR A 16 5.171 12.065 0.019 1.00 0.00 O ATOM 229 CB THR A 16 5.012 13.439 2.639 1.00 0.00 C ATOM 230 OG1 THR A 16 5.403 13.605 4.010 1.00 0.00 O ATOM 231 CG2 THR A 16 3.803 14.317 2.343 1.00 0.00 C ATOM 0 H THR A 16 6.504 11.008 1.958 1.00 0.00 H new ATOM 0 HA THR A 16 3.843 11.689 2.989 1.00 0.00 H new ATOM 0 HB THR A 16 5.828 13.743 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.380 13.656 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.052 15.359 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.521 14.207 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.970 14.015 2.977 1.00 0.00 H new ATOM 239 N LEU A 17 3.201 11.186 0.639 1.00 0.00 N ATOM 240 CA LEU A 17 2.797 10.876 -0.719 1.00 0.00 C ATOM 241 C LEU A 17 1.822 11.906 -1.278 1.00 0.00 C ATOM 242 O LEU A 17 0.736 12.113 -0.739 1.00 0.00 O ATOM 243 CB LEU A 17 2.177 9.490 -0.726 1.00 0.00 C ATOM 244 CG LEU A 17 2.460 8.647 -1.957 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.169 7.190 -1.650 1.00 0.00 C ATOM 246 CD2 LEU A 17 1.635 9.132 -3.138 1.00 0.00 C ATOM 0 H LEU A 17 2.519 10.931 1.353 1.00 0.00 H new ATOM 0 HA LEU A 17 3.675 10.903 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.532 8.949 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.097 9.595 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 17 3.512 8.745 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.372 6.584 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.804 6.857 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.122 7.080 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.851 8.516 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.575 9.059 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.886 10.170 -3.356 1.00 0.00 H new ATOM 258 N LYS A 18 2.222 12.527 -2.375 1.00 0.00 N ATOM 259 CA LYS A 18 1.431 13.550 -3.038 1.00 0.00 C ATOM 260 C LYS A 18 1.105 13.136 -4.473 1.00 0.00 C ATOM 261 O LYS A 18 1.916 12.506 -5.150 1.00 0.00 O ATOM 262 CB LYS A 18 2.210 14.869 -3.060 1.00 0.00 C ATOM 263 CG LYS A 18 1.683 15.941 -2.113 1.00 0.00 C ATOM 264 CD LYS A 18 1.585 15.458 -0.674 1.00 0.00 C ATOM 265 CE LYS A 18 1.470 16.631 0.288 1.00 0.00 C ATOM 266 NZ LYS A 18 1.003 16.207 1.632 1.00 0.00 N ATOM 0 H LYS A 18 3.112 12.334 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 18 0.499 13.676 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.251 14.664 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.198 15.264 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.338 16.811 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.699 16.266 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.718 14.806 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.464 14.864 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.439 17.121 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.778 17.368 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.284 16.918 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.033 16.115 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.431 15.291 1.875 1.00 0.00 H new ATOM 280 N LEU A 19 -0.095 13.468 -4.918 1.00 0.00 N ATOM 281 CA LEU A 19 -0.470 13.317 -6.319 1.00 0.00 C ATOM 282 C LEU A 19 -0.009 14.541 -7.092 1.00 0.00 C ATOM 283 O LEU A 19 0.493 15.490 -6.491 1.00 0.00 O ATOM 284 CB LEU A 19 -1.984 13.147 -6.508 1.00 0.00 C ATOM 285 CG LEU A 19 -2.589 11.804 -6.094 1.00 0.00 C ATOM 286 CD1 LEU A 19 -1.861 10.660 -6.772 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.578 11.639 -4.587 1.00 0.00 C ATOM 0 H LEU A 19 -0.834 13.847 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 19 0.012 12.413 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.486 13.933 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.215 13.313 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.629 11.787 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.305 9.713 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.944 10.766 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.810 10.677 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.014 10.675 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.551 11.684 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.161 12.438 -4.129 1.00 0.00 H new ATOM 299 N ASP A 20 -0.150 14.525 -8.411 1.00 0.00 N ATOM 300 CA ASP A 20 0.211 15.690 -9.216 1.00 0.00 C ATOM 301 C ASP A 20 -0.566 16.926 -8.755 1.00 0.00 C ATOM 302 O ASP A 20 -0.043 18.039 -8.769 1.00 0.00 O ATOM 303 CB ASP A 20 -0.040 15.433 -10.706 1.00 0.00 C ATOM 304 CG ASP A 20 0.853 14.345 -11.276 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.089 14.529 -11.294 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.322 13.304 -11.719 1.00 0.00 O ATOM 0 H ASP A 20 -0.507 13.731 -8.943 1.00 0.00 H new ATOM 0 HA ASP A 20 1.276 15.873 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.083 15.153 -10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.122 16.357 -11.261 1.00 0.00 H new ATOM 311 N ASP A 21 -1.802 16.711 -8.307 1.00 0.00 N ATOM 312 CA ASP A 21 -2.659 17.793 -7.811 1.00 0.00 C ATOM 313 C ASP A 21 -2.267 18.202 -6.384 1.00 0.00 C ATOM 314 O ASP A 21 -2.900 19.057 -5.767 1.00 0.00 O ATOM 315 CB ASP A 21 -4.128 17.350 -7.846 1.00 0.00 C ATOM 316 CG ASP A 21 -5.100 18.490 -7.598 1.00 0.00 C ATOM 317 OD1 ASP A 21 -5.264 19.341 -8.498 1.00 0.00 O ATOM 318 OD2 ASP A 21 -5.705 18.543 -6.508 1.00 0.00 O ATOM 0 H ASP A 21 -2.238 15.789 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.525 18.659 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.343 16.902 -8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.286 16.576 -7.095 1.00 0.00 H new ATOM 323 N GLY A 22 -1.202 17.598 -5.875 1.00 0.00 N ATOM 324 CA GLY A 22 -0.740 17.882 -4.526 1.00 0.00 C ATOM 325 C GLY A 22 -1.624 17.280 -3.451 1.00 0.00 C ATOM 326 O GLY A 22 -1.460 17.570 -2.266 1.00 0.00 O ATOM 0 H GLY A 22 -0.643 16.908 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.274 17.500 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.693 18.962 -4.385 1.00 0.00 H new ATOM 330 N THR A 23 -2.557 16.437 -3.861 1.00 0.00 N ATOM 331 CA THR A 23 -3.392 15.710 -2.923 1.00 0.00 C ATOM 332 C THR A 23 -2.557 14.642 -2.217 1.00 0.00 C ATOM 333 O THR A 23 -1.692 14.026 -2.834 1.00 0.00 O ATOM 334 CB THR A 23 -4.574 15.047 -3.657 1.00 0.00 C ATOM 335 OG1 THR A 23 -5.169 15.988 -4.563 1.00 0.00 O ATOM 336 CG2 THR A 23 -5.625 14.556 -2.672 1.00 0.00 C ATOM 0 H THR A 23 -2.755 16.240 -4.842 1.00 0.00 H new ATOM 0 HA THR A 23 -3.787 16.410 -2.187 1.00 0.00 H new ATOM 0 HB THR A 23 -4.194 14.189 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.919 15.564 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.447 14.093 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.179 13.824 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.003 15.399 -2.093 1.00 0.00 H new ATOM 344 N THR A 24 -2.789 14.435 -0.930 1.00 0.00 N ATOM 345 CA THR A 24 -2.017 13.457 -0.181 1.00 0.00 C ATOM 346 C THR A 24 -2.672 12.078 -0.264 1.00 0.00 C ATOM 347 O THR A 24 -3.766 11.864 0.261 1.00 0.00 O ATOM 348 CB THR A 24 -1.863 13.876 1.292 1.00 0.00 C ATOM 349 OG1 THR A 24 -1.512 15.264 1.360 1.00 0.00 O ATOM 350 CG2 THR A 24 -0.784 13.058 1.985 1.00 0.00 C ATOM 0 H THR A 24 -3.499 14.926 -0.387 1.00 0.00 H new ATOM 0 HA THR A 24 -1.024 13.407 -0.629 1.00 0.00 H new ATOM 0 HB THR A 24 -2.813 13.700 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.556 15.567 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.697 13.376 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.049 12.001 1.950 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.169 13.210 1.479 1.00 0.00 H new ATOM 358 N ALA A 25 -2.000 11.153 -0.944 1.00 0.00 N ATOM 359 CA ALA A 25 -2.520 9.802 -1.127 1.00 0.00 C ATOM 360 C ALA A 25 -2.272 8.952 0.104 1.00 0.00 C ATOM 361 O ALA A 25 -3.113 8.142 0.493 1.00 0.00 O ATOM 362 CB ALA A 25 -1.879 9.139 -2.335 1.00 0.00 C ATOM 0 H ALA A 25 -1.092 11.316 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.595 9.883 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.281 8.133 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.096 9.724 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.800 9.084 -2.190 1.00 0.00 H new ATOM 368 N GLU A 26 -1.112 9.145 0.705 1.00 0.00 N ATOM 369 CA GLU A 26 -0.700 8.360 1.852 1.00 0.00 C ATOM 370 C GLU A 26 0.289 9.160 2.692 1.00 0.00 C ATOM 371 O GLU A 26 1.333 9.590 2.198 1.00 0.00 O ATOM 372 CB GLU A 26 -0.077 7.041 1.378 1.00 0.00 C ATOM 373 CG GLU A 26 0.330 6.118 2.507 1.00 0.00 C ATOM 374 CD GLU A 26 0.543 4.690 2.051 1.00 0.00 C ATOM 375 OE1 GLU A 26 -0.459 3.976 1.822 1.00 0.00 O ATOM 376 OE2 GLU A 26 1.706 4.264 1.939 1.00 0.00 O ATOM 0 H GLU A 26 -0.432 9.847 0.413 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.567 8.128 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.790 6.523 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.799 7.262 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.248 6.490 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.438 6.137 3.280 1.00 0.00 H new ATOM 383 N SER A 27 -0.044 9.392 3.951 1.00 0.00 N ATOM 384 CA SER A 27 0.820 10.180 4.808 1.00 0.00 C ATOM 385 C SER A 27 1.405 9.343 5.941 1.00 0.00 C ATOM 386 O SER A 27 0.751 9.073 6.951 1.00 0.00 O ATOM 387 CB SER A 27 0.053 11.386 5.364 1.00 0.00 C ATOM 388 OG SER A 27 -1.199 10.999 5.903 1.00 0.00 O ATOM 0 H SER A 27 -0.896 9.050 4.396 1.00 0.00 H new ATOM 0 HA SER A 27 1.655 10.538 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.648 11.873 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.101 12.118 4.571 1.00 0.00 H new ATOM 0 HG SER A 27 -1.084 10.198 6.455 1.00 0.00 H new ATOM 394 N THR A 28 2.655 8.952 5.775 1.00 0.00 N ATOM 395 CA THR A 28 3.400 8.317 6.819 1.00 0.00 C ATOM 396 C THR A 28 4.109 9.416 7.567 1.00 0.00 C ATOM 397 O THR A 28 5.296 9.685 7.386 1.00 0.00 O ATOM 398 CB THR A 28 4.385 7.288 6.252 1.00 0.00 C ATOM 399 OG1 THR A 28 3.666 6.328 5.478 1.00 0.00 O ATOM 400 CG2 THR A 28 5.140 6.580 7.360 1.00 0.00 C ATOM 0 H THR A 28 3.174 9.071 4.905 1.00 0.00 H new ATOM 0 HA THR A 28 2.743 7.760 7.487 1.00 0.00 H new ATOM 0 HB THR A 28 5.109 7.811 5.628 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.993 6.341 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.830 5.857 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.700 7.311 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.433 6.062 8.009 1.00 0.00 H new ATOM 408 N ARG A 29 3.338 10.016 8.432 1.00 0.00 N ATOM 409 CA ARG A 29 3.663 11.313 8.993 1.00 0.00 C ATOM 410 C ARG A 29 2.659 11.688 10.074 1.00 0.00 C ATOM 411 O ARG A 29 2.975 11.652 11.257 1.00 0.00 O ATOM 412 CB ARG A 29 3.675 12.359 7.870 1.00 0.00 C ATOM 413 CG ARG A 29 4.347 13.667 8.239 1.00 0.00 C ATOM 414 CD ARG A 29 4.490 14.563 7.019 1.00 0.00 C ATOM 415 NE ARG A 29 5.206 15.799 7.321 1.00 0.00 N ATOM 416 CZ ARG A 29 5.926 16.483 6.434 1.00 0.00 C ATOM 417 NH1 ARG A 29 6.059 16.042 5.185 1.00 0.00 N ATOM 418 NH2 ARG A 29 6.523 17.610 6.802 1.00 0.00 N ATOM 0 H ARG A 29 2.461 9.623 8.774 1.00 0.00 H new ATOM 0 HA ARG A 29 4.650 11.275 9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.182 11.937 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.647 12.564 7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.763 14.178 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.330 13.468 8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.018 14.022 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.501 14.804 6.630 1.00 0.00 H new ATOM 0 HE ARG A 29 5.151 16.162 8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.607 15.173 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.613 16.573 4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.429 17.948 7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.076 18.138 6.127 1.00 0.00 H new ATOM 432 N ASN A 30 1.434 11.993 9.658 1.00 0.00 N ATOM 433 CA ASN A 30 0.389 12.434 10.582 1.00 0.00 C ATOM 434 C ASN A 30 0.008 11.324 11.553 1.00 0.00 C ATOM 435 O ASN A 30 -0.402 11.582 12.684 1.00 0.00 O ATOM 436 CB ASN A 30 -0.853 12.887 9.807 1.00 0.00 C ATOM 437 CG ASN A 30 -0.561 14.011 8.833 1.00 0.00 C ATOM 438 OD1 ASN A 30 0.336 14.828 9.055 1.00 0.00 O ATOM 439 ND2 ASN A 30 -1.310 14.053 7.741 1.00 0.00 N ATOM 0 H ASN A 30 1.137 11.943 8.683 1.00 0.00 H new ATOM 0 HA ASN A 30 0.785 13.274 11.153 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.265 12.038 9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.617 13.213 10.513 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.155 14.781 7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.042 13.357 7.597 1.00 0.00 H new ATOM 446 N ASN A 31 0.155 10.085 11.101 1.00 0.00 N ATOM 447 CA ASN A 31 -0.168 8.919 11.919 1.00 0.00 C ATOM 448 C ASN A 31 0.798 8.776 13.089 1.00 0.00 C ATOM 449 O ASN A 31 0.480 8.137 14.092 1.00 0.00 O ATOM 450 CB ASN A 31 -0.139 7.642 11.072 1.00 0.00 C ATOM 451 CG ASN A 31 -1.285 7.561 10.082 1.00 0.00 C ATOM 452 OD1 ASN A 31 -2.375 8.077 10.326 1.00 0.00 O ATOM 453 ND2 ASN A 31 -1.044 6.910 8.958 1.00 0.00 N ATOM 0 H ASN A 31 0.498 9.859 10.167 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.172 9.067 12.316 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.806 7.593 10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.174 6.775 11.731 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.776 6.821 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.126 6.497 8.795 1.00 0.00 H new ATOM 460 N GLY A 32 1.978 9.373 12.960 1.00 0.00 N ATOM 461 CA GLY A 32 2.975 9.276 14.007 1.00 0.00 C ATOM 462 C GLY A 32 3.684 7.942 13.975 1.00 0.00 C ATOM 463 O GLY A 32 4.402 7.581 14.906 1.00 0.00 O ATOM 0 H GLY A 32 2.261 9.922 12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.703 10.079 13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.499 9.413 14.978 1.00 0.00 H new ATOM 467 N LYS A 33 3.485 7.218 12.885 1.00 0.00 N ATOM 468 CA LYS A 33 4.038 5.887 12.728 1.00 0.00 C ATOM 469 C LYS A 33 4.683 5.746 11.359 1.00 0.00 C ATOM 470 O LYS A 33 4.064 6.076 10.345 1.00 0.00 O ATOM 471 CB LYS A 33 2.940 4.827 12.886 1.00 0.00 C ATOM 472 CG LYS A 33 2.385 4.709 14.296 1.00 0.00 C ATOM 473 CD LYS A 33 1.211 3.747 14.348 1.00 0.00 C ATOM 474 CE LYS A 33 0.723 3.531 15.772 1.00 0.00 C ATOM 475 NZ LYS A 33 1.718 2.808 16.606 1.00 0.00 N ATOM 0 H LYS A 33 2.936 7.538 12.087 1.00 0.00 H new ATOM 0 HA LYS A 33 4.792 5.736 13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.123 5.063 12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.339 3.859 12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.169 4.366 14.970 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.069 5.691 14.648 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.395 4.136 13.739 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.505 2.791 13.915 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.502 4.496 16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.210 2.967 15.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.271 2.505 17.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.062 1.973 16.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.518 3.439 16.817 1.00 0.00 H new ATOM 489 N PRO A 34 5.939 5.287 11.300 1.00 0.00 N ATOM 490 CA PRO A 34 6.593 5.003 10.037 1.00 0.00 C ATOM 491 C PRO A 34 6.161 3.646 9.487 1.00 0.00 C ATOM 492 O PRO A 34 5.759 2.758 10.245 1.00 0.00 O ATOM 493 CB PRO A 34 8.072 5.020 10.403 1.00 0.00 C ATOM 494 CG PRO A 34 8.115 4.555 11.812 1.00 0.00 C ATOM 495 CD PRO A 34 6.827 5.018 12.450 1.00 0.00 C ATOM 0 HA PRO A 34 6.345 5.717 9.251 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.649 4.364 9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.494 6.020 10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.205 3.470 11.861 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.978 4.970 12.332 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.410 4.255 13.107 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.979 5.912 13.055 1.00 0.00 H new ATOM 503 N ALA A 35 6.246 3.492 8.180 1.00 0.00 N ATOM 504 CA ALA A 35 5.731 2.313 7.516 1.00 0.00 C ATOM 505 C ALA A 35 6.867 1.511 6.919 1.00 0.00 C ATOM 506 O ALA A 35 7.908 2.064 6.559 1.00 0.00 O ATOM 507 CB ALA A 35 4.736 2.718 6.437 1.00 0.00 C ATOM 0 H ALA A 35 6.671 4.176 7.553 1.00 0.00 H new ATOM 0 HA ALA A 35 5.217 1.689 8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.353 1.826 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.909 3.264 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.233 3.354 5.705 1.00 0.00 H new ATOM 513 N LEU A 36 6.677 0.210 6.832 1.00 0.00 N ATOM 514 CA LEU A 36 7.679 -0.651 6.251 1.00 0.00 C ATOM 515 C LEU A 36 7.392 -0.886 4.780 1.00 0.00 C ATOM 516 O LEU A 36 6.287 -1.283 4.403 1.00 0.00 O ATOM 517 CB LEU A 36 7.731 -1.995 6.968 1.00 0.00 C ATOM 518 CG LEU A 36 8.797 -2.948 6.431 1.00 0.00 C ATOM 519 CD1 LEU A 36 10.146 -2.651 7.059 1.00 0.00 C ATOM 520 CD2 LEU A 36 8.394 -4.388 6.663 1.00 0.00 C ATOM 0 H LEU A 36 5.838 -0.271 7.157 1.00 0.00 H new ATOM 0 HA LEU A 36 8.642 -0.152 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.915 -1.822 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.756 -2.475 6.888 1.00 0.00 H new ATOM 0 HG LEU A 36 8.885 -2.794 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.891 -3.341 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.439 -1.627 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.078 -2.771 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.167 -5.050 6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.271 -4.564 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.453 -4.589 6.152 1.00 0.00 H new ATOM 532 N PHE A 37 8.382 -0.630 3.953 1.00 0.00 N ATOM 533 CA PHE A 37 8.301 -0.972 2.550 1.00 0.00 C ATOM 534 C PHE A 37 8.950 -2.326 2.315 1.00 0.00 C ATOM 535 O PHE A 37 10.169 -2.467 2.391 1.00 0.00 O ATOM 536 CB PHE A 37 8.970 0.108 1.697 1.00 0.00 C ATOM 537 CG PHE A 37 8.065 1.260 1.356 1.00 0.00 C ATOM 538 CD1 PHE A 37 6.941 1.534 2.119 1.00 0.00 C ATOM 539 CD2 PHE A 37 8.337 2.065 0.262 1.00 0.00 C ATOM 540 CE1 PHE A 37 6.108 2.584 1.796 1.00 0.00 C ATOM 541 CE2 PHE A 37 7.508 3.120 -0.065 1.00 0.00 C ATOM 542 CZ PHE A 37 6.391 3.380 0.702 1.00 0.00 C ATOM 0 H PHE A 37 9.257 -0.184 4.230 1.00 0.00 H new ATOM 0 HA PHE A 37 7.253 -1.030 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.842 0.489 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.331 -0.344 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.715 0.918 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.209 1.865 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.234 2.785 2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.734 3.740 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.740 4.203 0.448 1.00 0.00 H new ATOM 552 N ARG A 38 8.116 -3.325 2.060 1.00 0.00 N ATOM 553 CA ARG A 38 8.588 -4.685 1.850 1.00 0.00 C ATOM 554 C ARG A 38 9.077 -4.887 0.425 1.00 0.00 C ATOM 555 O ARG A 38 8.288 -4.943 -0.523 1.00 0.00 O ATOM 556 CB ARG A 38 7.483 -5.690 2.178 1.00 0.00 C ATOM 557 CG ARG A 38 7.406 -6.052 3.652 1.00 0.00 C ATOM 558 CD ARG A 38 8.480 -7.064 4.031 1.00 0.00 C ATOM 559 NE ARG A 38 8.288 -8.337 3.337 1.00 0.00 N ATOM 560 CZ ARG A 38 9.254 -9.228 3.110 1.00 0.00 C ATOM 561 NH1 ARG A 38 10.489 -9.017 3.546 1.00 0.00 N ATOM 562 NH2 ARG A 38 8.978 -10.345 2.450 1.00 0.00 N ATOM 0 H ARG A 38 7.104 -3.217 1.994 1.00 0.00 H new ATOM 0 HA ARG A 38 9.430 -4.853 2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.524 -5.278 1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.646 -6.598 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.522 -5.152 4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.421 -6.462 3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.463 -6.661 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.461 -7.230 5.108 1.00 0.00 H new ATOM 0 HE ARG A 38 7.350 -8.559 3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.709 -8.165 4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.218 -9.707 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.030 -10.520 2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.714 -11.029 2.274 1.00 0.00 H new ATOM 576 N LEU A 39 10.388 -4.998 0.297 1.00 0.00 N ATOM 577 CA LEU A 39 11.028 -5.250 -0.990 1.00 0.00 C ATOM 578 C LEU A 39 10.984 -6.735 -1.328 1.00 0.00 C ATOM 579 O LEU A 39 10.885 -7.573 -0.434 1.00 0.00 O ATOM 580 CB LEU A 39 12.484 -4.765 -0.985 1.00 0.00 C ATOM 581 CG LEU A 39 12.695 -3.271 -1.255 1.00 0.00 C ATOM 582 CD1 LEU A 39 12.168 -2.412 -0.116 1.00 0.00 C ATOM 583 CD2 LEU A 39 14.166 -2.979 -1.510 1.00 0.00 C ATOM 0 H LEU A 39 11.040 -4.917 1.077 1.00 0.00 H new ATOM 0 HA LEU A 39 10.477 -4.694 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.923 -5.004 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.037 -5.331 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 39 12.126 -3.014 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.336 -1.360 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.100 -2.590 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.689 -2.670 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.298 -1.914 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.751 -3.267 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.505 -3.547 -2.377 1.00 0.00 H new ATOM 595 N GLY A 40 11.033 -7.051 -2.614 1.00 0.00 N ATOM 596 CA GLY A 40 11.060 -8.437 -3.035 1.00 0.00 C ATOM 597 C GLY A 40 9.714 -8.930 -3.517 1.00 0.00 C ATOM 598 O GLY A 40 9.368 -10.093 -3.306 1.00 0.00 O ATOM 0 H GLY A 40 11.055 -6.371 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.792 -8.555 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.393 -9.058 -2.203 1.00 0.00 H new ATOM 602 N ASP A 41 8.953 -8.033 -4.153 1.00 0.00 N ATOM 603 CA ASP A 41 7.649 -8.369 -4.746 1.00 0.00 C ATOM 604 C ASP A 41 6.616 -8.758 -3.680 1.00 0.00 C ATOM 605 O ASP A 41 5.492 -9.147 -3.995 1.00 0.00 O ATOM 606 CB ASP A 41 7.818 -9.502 -5.771 1.00 0.00 C ATOM 607 CG ASP A 41 6.569 -9.774 -6.589 1.00 0.00 C ATOM 608 OD1 ASP A 41 6.347 -9.068 -7.597 1.00 0.00 O ATOM 609 OD2 ASP A 41 5.817 -10.712 -6.246 1.00 0.00 O ATOM 0 H ASP A 41 9.220 -7.056 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 41 7.272 -7.479 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.636 -9.251 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.105 -10.414 -5.248 1.00 0.00 H new ATOM 614 N ALA A 42 6.991 -8.618 -2.417 1.00 0.00 N ATOM 615 CA ALA A 42 6.140 -9.034 -1.312 1.00 0.00 C ATOM 616 C ALA A 42 4.908 -8.142 -1.201 1.00 0.00 C ATOM 617 O ALA A 42 3.774 -8.612 -1.286 1.00 0.00 O ATOM 618 CB ALA A 42 6.930 -9.018 -0.015 1.00 0.00 C ATOM 0 H ALA A 42 7.884 -8.217 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 42 5.797 -10.051 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.286 -9.331 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.775 -9.702 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.297 -8.009 0.175 1.00 0.00 H new ATOM 624 N SER A 43 5.140 -6.855 -1.008 1.00 0.00 N ATOM 625 CA SER A 43 4.056 -5.890 -0.928 1.00 0.00 C ATOM 626 C SER A 43 4.154 -4.889 -2.068 1.00 0.00 C ATOM 627 O SER A 43 3.148 -4.385 -2.564 1.00 0.00 O ATOM 628 CB SER A 43 4.109 -5.154 0.412 1.00 0.00 C ATOM 629 OG SER A 43 4.102 -6.068 1.495 1.00 0.00 O ATOM 0 H SER A 43 6.072 -6.453 -0.904 1.00 0.00 H new ATOM 0 HA SER A 43 3.109 -6.423 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.007 -4.538 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.256 -4.480 0.495 1.00 0.00 H new ATOM 0 HG SER A 43 4.138 -5.574 2.340 1.00 0.00 H new ATOM 635 N LEU A 44 5.378 -4.619 -2.489 1.00 0.00 N ATOM 636 CA LEU A 44 5.634 -3.610 -3.500 1.00 0.00 C ATOM 637 C LEU A 44 6.051 -4.261 -4.805 1.00 0.00 C ATOM 638 O LEU A 44 6.523 -5.397 -4.819 1.00 0.00 O ATOM 639 CB LEU A 44 6.732 -2.671 -3.014 1.00 0.00 C ATOM 640 CG LEU A 44 6.485 -2.045 -1.644 1.00 0.00 C ATOM 641 CD1 LEU A 44 7.705 -1.269 -1.198 1.00 0.00 C ATOM 642 CD2 LEU A 44 5.262 -1.141 -1.679 1.00 0.00 C ATOM 0 H LEU A 44 6.215 -5.089 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 44 4.720 -3.042 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.672 -3.222 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.856 -1.872 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 44 6.297 -2.844 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.517 -0.827 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.561 -1.941 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.917 -0.479 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.104 -0.705 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.419 -0.345 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.386 -1.725 -1.963 1.00 0.00 H new ATOM 654 N SER A 45 5.873 -3.532 -5.896 1.00 0.00 N ATOM 655 CA SER A 45 6.234 -4.025 -7.212 1.00 0.00 C ATOM 656 C SER A 45 7.683 -3.683 -7.546 1.00 0.00 C ATOM 657 O SER A 45 8.329 -2.919 -6.820 1.00 0.00 O ATOM 658 CB SER A 45 5.289 -3.436 -8.259 1.00 0.00 C ATOM 659 OG SER A 45 3.940 -3.770 -7.963 1.00 0.00 O ATOM 0 H SER A 45 5.478 -2.592 -5.893 1.00 0.00 H new ATOM 0 HA SER A 45 6.140 -5.111 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.402 -2.352 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.553 -3.812 -9.247 1.00 0.00 H new ATOM 0 HG SER A 45 3.350 -3.383 -8.643 1.00 0.00 H new ATOM 665 N GLU A 46 8.169 -4.244 -8.650 1.00 0.00 N ATOM 666 CA GLU A 46 9.561 -4.093 -9.072 1.00 0.00 C ATOM 667 C GLU A 46 10.024 -2.635 -9.027 1.00 0.00 C ATOM 668 O GLU A 46 11.072 -2.324 -8.461 1.00 0.00 O ATOM 669 CB GLU A 46 9.729 -4.635 -10.485 1.00 0.00 C ATOM 670 CG GLU A 46 9.573 -6.141 -10.585 1.00 0.00 C ATOM 671 CD GLU A 46 10.742 -6.888 -9.983 1.00 0.00 C ATOM 672 OE1 GLU A 46 11.883 -6.676 -10.442 1.00 0.00 O ATOM 673 OE2 GLU A 46 10.528 -7.711 -9.069 1.00 0.00 O ATOM 0 H GLU A 46 7.608 -4.818 -9.280 1.00 0.00 H new ATOM 0 HA GLU A 46 10.178 -4.658 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.996 -4.159 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.715 -4.356 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.655 -6.442 -10.080 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.467 -6.423 -11.633 1.00 0.00 H new ATOM 680 N GLY A 47 9.228 -1.748 -9.608 1.00 0.00 N ATOM 681 CA GLY A 47 9.619 -0.354 -9.716 1.00 0.00 C ATOM 682 C GLY A 47 9.889 0.302 -8.373 1.00 0.00 C ATOM 683 O GLY A 47 10.895 0.992 -8.215 1.00 0.00 O ATOM 0 H GLY A 47 8.316 -1.968 -10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.514 -0.282 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.832 0.198 -10.230 1.00 0.00 H new ATOM 687 N LEU A 48 9.005 0.083 -7.405 1.00 0.00 N ATOM 688 CA LEU A 48 9.157 0.685 -6.085 1.00 0.00 C ATOM 689 C LEU A 48 10.472 0.234 -5.443 1.00 0.00 C ATOM 690 O LEU A 48 11.301 1.061 -5.052 1.00 0.00 O ATOM 691 CB LEU A 48 7.967 0.289 -5.190 1.00 0.00 C ATOM 692 CG LEU A 48 7.649 1.216 -3.997 1.00 0.00 C ATOM 693 CD1 LEU A 48 8.870 1.473 -3.135 1.00 0.00 C ATOM 694 CD2 LEU A 48 7.060 2.532 -4.469 1.00 0.00 C ATOM 0 H LEU A 48 8.178 -0.505 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 48 9.177 1.770 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.078 0.226 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.154 -0.712 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 48 6.910 0.698 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.600 2.130 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.243 0.528 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.646 1.947 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.846 3.165 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.773 3.036 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.138 2.342 -5.018 1.00 0.00 H new ATOM 706 N GLU A 49 10.682 -1.074 -5.387 1.00 0.00 N ATOM 707 CA GLU A 49 11.812 -1.632 -4.653 1.00 0.00 C ATOM 708 C GLU A 49 13.145 -1.291 -5.311 1.00 0.00 C ATOM 709 O GLU A 49 14.147 -1.094 -4.622 1.00 0.00 O ATOM 710 CB GLU A 49 11.678 -3.149 -4.512 1.00 0.00 C ATOM 711 CG GLU A 49 11.552 -3.883 -5.831 1.00 0.00 C ATOM 712 CD GLU A 49 11.749 -5.370 -5.675 1.00 0.00 C ATOM 713 OE1 GLU A 49 10.824 -6.049 -5.185 1.00 0.00 O ATOM 714 OE2 GLU A 49 12.838 -5.868 -6.035 1.00 0.00 O ATOM 0 H GLU A 49 10.087 -1.768 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 49 11.798 -1.178 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.547 -3.532 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.804 -3.371 -3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.568 -3.691 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.287 -3.492 -6.534 1.00 0.00 H new ATOM 721 N GLN A 50 13.152 -1.173 -6.634 1.00 0.00 N ATOM 722 CA GLN A 50 14.397 -1.051 -7.371 1.00 0.00 C ATOM 723 C GLN A 50 14.935 0.369 -7.339 1.00 0.00 C ATOM 724 O GLN A 50 16.057 0.623 -7.767 1.00 0.00 O ATOM 725 CB GLN A 50 14.217 -1.508 -8.814 1.00 0.00 C ATOM 726 CG GLN A 50 13.965 -2.997 -8.948 1.00 0.00 C ATOM 727 CD GLN A 50 14.027 -3.473 -10.382 1.00 0.00 C ATOM 728 OE1 GLN A 50 13.714 -2.729 -11.315 1.00 0.00 O ATOM 729 NE2 GLN A 50 14.431 -4.717 -10.568 1.00 0.00 N ATOM 0 H GLN A 50 12.312 -1.160 -7.213 1.00 0.00 H new ATOM 0 HA GLN A 50 15.125 -1.697 -6.881 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.383 -0.965 -9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.108 -1.245 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 50 14.702 -3.541 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.986 -3.234 -8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.680 -5.297 -9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.494 -5.097 -11.512 1.00 0.00 H new ATOM 738 N HIS A 51 14.143 1.292 -6.821 1.00 0.00 N ATOM 739 CA HIS A 51 14.551 2.688 -6.773 1.00 0.00 C ATOM 740 C HIS A 51 14.854 3.095 -5.346 1.00 0.00 C ATOM 741 O HIS A 51 15.304 4.208 -5.083 1.00 0.00 O ATOM 742 CB HIS A 51 13.473 3.589 -7.380 1.00 0.00 C ATOM 743 CG HIS A 51 13.365 3.457 -8.869 1.00 0.00 C ATOM 744 ND1 HIS A 51 13.582 4.500 -9.738 1.00 0.00 N ATOM 745 CD2 HIS A 51 13.066 2.386 -9.640 1.00 0.00 C ATOM 746 CE1 HIS A 51 13.426 4.076 -10.977 1.00 0.00 C ATOM 747 NE2 HIS A 51 13.112 2.795 -10.946 1.00 0.00 N ATOM 0 H HIS A 51 13.220 1.104 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 51 15.458 2.806 -7.366 1.00 0.00 H new ATOM 0 HB2 HIS A 51 12.510 3.348 -6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 51 13.692 4.627 -7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.834 1.391 -9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.537 4.677 -11.868 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.933 2.207 -11.760 1.00 0.00 H new ATOM 756 N LEU A 52 14.600 2.184 -4.425 1.00 0.00 N ATOM 757 CA LEU A 52 14.898 2.417 -3.026 1.00 0.00 C ATOM 758 C LEU A 52 16.151 1.671 -2.588 1.00 0.00 C ATOM 759 O LEU A 52 16.867 2.129 -1.700 1.00 0.00 O ATOM 760 CB LEU A 52 13.710 2.020 -2.154 1.00 0.00 C ATOM 761 CG LEU A 52 12.609 3.072 -2.041 1.00 0.00 C ATOM 762 CD1 LEU A 52 11.489 2.554 -1.161 1.00 0.00 C ATOM 763 CD2 LEU A 52 13.164 4.368 -1.478 1.00 0.00 C ATOM 0 H LEU A 52 14.186 1.273 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 52 15.087 3.483 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.276 1.104 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.075 1.789 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 52 12.214 3.273 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.707 3.310 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.074 1.645 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.879 2.334 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.364 5.105 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.581 4.185 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.946 4.745 -2.137 1.00 0.00 H new ATOM 775 N LEU A 53 16.422 0.527 -3.211 1.00 0.00 N ATOM 776 CA LEU A 53 17.563 -0.286 -2.821 1.00 0.00 C ATOM 777 C LEU A 53 18.872 0.429 -3.156 1.00 0.00 C ATOM 778 O LEU A 53 18.928 1.234 -4.089 1.00 0.00 O ATOM 779 CB LEU A 53 17.492 -1.673 -3.478 1.00 0.00 C ATOM 780 CG LEU A 53 17.683 -1.723 -4.994 1.00 0.00 C ATOM 781 CD1 LEU A 53 19.101 -2.140 -5.342 1.00 0.00 C ATOM 782 CD2 LEU A 53 16.689 -2.689 -5.602 1.00 0.00 C ATOM 0 H LEU A 53 15.871 0.147 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 53 17.533 -0.432 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.250 -2.307 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 16.523 -2.113 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 53 17.511 -0.727 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.216 -2.169 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 53 19.805 -1.422 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.301 -3.129 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.828 -2.722 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.847 -3.684 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.675 -2.358 -5.377 1.00 0.00 H new ATOM 794 N GLY A 54 19.914 0.142 -2.384 1.00 0.00 N ATOM 795 CA GLY A 54 21.190 0.803 -2.576 1.00 0.00 C ATOM 796 C GLY A 54 21.364 2.031 -1.693 1.00 0.00 C ATOM 797 O GLY A 54 22.435 2.641 -1.677 1.00 0.00 O ATOM 0 H GLY A 54 19.897 -0.540 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 54 21.994 0.096 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.287 1.097 -3.621 1.00 0.00 H new ATOM 801 N LEU A 55 20.321 2.400 -0.958 1.00 0.00 N ATOM 802 CA LEU A 55 20.382 3.551 -0.060 1.00 0.00 C ATOM 803 C LEU A 55 20.788 3.127 1.343 1.00 0.00 C ATOM 804 O LEU A 55 20.763 1.948 1.676 1.00 0.00 O ATOM 805 CB LEU A 55 19.024 4.247 -0.006 1.00 0.00 C ATOM 806 CG LEU A 55 18.652 5.048 -1.251 1.00 0.00 C ATOM 807 CD1 LEU A 55 17.205 5.503 -1.169 1.00 0.00 C ATOM 808 CD2 LEU A 55 19.574 6.248 -1.396 1.00 0.00 C ATOM 0 H LEU A 55 19.421 1.919 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 55 21.132 4.241 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 55 18.255 3.494 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 55 19.011 4.917 0.854 1.00 0.00 H new ATOM 0 HG LEU A 55 18.768 4.410 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 55 16.952 6.073 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 55 16.553 4.632 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.070 6.130 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 55 19.300 6.812 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 55 19.480 6.888 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 55 20.605 5.906 -1.486 1.00 0.00 H new ATOM 820 N LYS A 56 21.180 4.087 2.159 1.00 0.00 N ATOM 821 CA LYS A 56 21.499 3.813 3.546 1.00 0.00 C ATOM 822 C LYS A 56 20.462 4.454 4.433 1.00 0.00 C ATOM 823 O LYS A 56 19.626 5.237 3.982 1.00 0.00 O ATOM 824 CB LYS A 56 22.881 4.343 3.956 1.00 0.00 C ATOM 825 CG LYS A 56 24.065 3.642 3.313 1.00 0.00 C ATOM 826 CD LYS A 56 24.076 3.877 1.824 1.00 0.00 C ATOM 827 CE LYS A 56 25.390 3.464 1.179 1.00 0.00 C ATOM 828 NZ LYS A 56 25.698 2.026 1.388 1.00 0.00 N ATOM 0 H LYS A 56 21.285 5.064 1.885 1.00 0.00 H new ATOM 0 HA LYS A 56 21.508 2.729 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.932 5.404 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.976 4.261 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 56 24.993 4.008 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.016 2.572 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.259 3.320 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.893 4.933 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.347 3.672 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 56 26.199 4.069 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.496 1.750 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.949 1.866 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.864 1.454 1.145 1.00 0.00 H new ATOM 842 N VAL A 57 20.522 4.107 5.690 1.00 0.00 N ATOM 843 CA VAL A 57 19.675 4.733 6.691 1.00 0.00 C ATOM 844 C VAL A 57 20.001 6.223 6.795 1.00 0.00 C ATOM 845 O VAL A 57 21.170 6.620 6.772 1.00 0.00 O ATOM 846 CB VAL A 57 19.833 4.069 8.072 1.00 0.00 C ATOM 847 CG1 VAL A 57 19.155 4.900 9.149 1.00 0.00 C ATOM 848 CG2 VAL A 57 19.267 2.663 8.068 1.00 0.00 C ATOM 0 H VAL A 57 21.150 3.391 6.055 1.00 0.00 H new ATOM 0 HA VAL A 57 18.640 4.603 6.374 1.00 0.00 H new ATOM 0 HB VAL A 57 20.899 4.011 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.279 4.413 10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.607 5.892 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 57 18.093 4.992 8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.392 2.218 9.055 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.207 2.698 7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.795 2.060 7.329 1.00 0.00 H new ATOM 858 N GLY A 58 18.965 7.042 6.917 1.00 0.00 N ATOM 859 CA GLY A 58 19.154 8.475 6.966 1.00 0.00 C ATOM 860 C GLY A 58 19.321 9.083 5.589 1.00 0.00 C ATOM 861 O GLY A 58 19.692 10.249 5.458 1.00 0.00 O ATOM 0 H GLY A 58 17.994 6.736 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 58 18.299 8.935 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 58 20.033 8.702 7.570 1.00 0.00 H new ATOM 865 N ASP A 59 19.052 8.296 4.557 1.00 0.00 N ATOM 866 CA ASP A 59 19.083 8.812 3.195 1.00 0.00 C ATOM 867 C ASP A 59 17.701 9.285 2.779 1.00 0.00 C ATOM 868 O ASP A 59 16.692 8.651 3.102 1.00 0.00 O ATOM 869 CB ASP A 59 19.589 7.769 2.196 1.00 0.00 C ATOM 870 CG ASP A 59 21.082 7.856 1.965 1.00 0.00 C ATOM 871 OD1 ASP A 59 21.590 8.979 1.766 1.00 0.00 O ATOM 872 OD2 ASP A 59 21.758 6.805 1.957 1.00 0.00 O ATOM 0 H ASP A 59 18.812 7.308 4.634 1.00 0.00 H new ATOM 0 HA ASP A 59 19.779 9.651 3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.340 6.772 2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.070 7.900 1.246 1.00 0.00 H new ATOM 877 N LYS A 60 17.662 10.408 2.078 1.00 0.00 N ATOM 878 CA LYS A 60 16.411 11.010 1.650 1.00 0.00 C ATOM 879 C LYS A 60 16.295 10.909 0.133 1.00 0.00 C ATOM 880 O LYS A 60 17.214 11.296 -0.594 1.00 0.00 O ATOM 881 CB LYS A 60 16.373 12.486 2.064 1.00 0.00 C ATOM 882 CG LYS A 60 17.316 12.836 3.211 1.00 0.00 C ATOM 883 CD LYS A 60 16.829 12.307 4.553 1.00 0.00 C ATOM 884 CE LYS A 60 15.625 13.079 5.054 1.00 0.00 C ATOM 885 NZ LYS A 60 15.224 12.654 6.420 1.00 0.00 N ATOM 0 H LYS A 60 18.493 10.925 1.791 1.00 0.00 H new ATOM 0 HA LYS A 60 15.580 10.483 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.625 13.101 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.355 12.745 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.305 12.428 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 60 17.424 13.919 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.571 11.252 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.634 12.373 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.853 14.145 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.790 12.934 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.188 12.585 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.644 11.726 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.559 13.353 7.113 1.00 0.00 H new ATOM 899 N THR A 61 15.186 10.385 -0.346 1.00 0.00 N ATOM 900 CA THR A 61 14.989 10.230 -1.774 1.00 0.00 C ATOM 901 C THR A 61 13.545 10.509 -2.161 1.00 0.00 C ATOM 902 O THR A 61 12.611 10.162 -1.438 1.00 0.00 O ATOM 903 CB THR A 61 15.398 8.814 -2.244 1.00 0.00 C ATOM 904 OG1 THR A 61 15.302 8.712 -3.671 1.00 0.00 O ATOM 905 CG2 THR A 61 14.528 7.746 -1.597 1.00 0.00 C ATOM 0 H THR A 61 14.409 10.060 0.229 1.00 0.00 H new ATOM 0 HA THR A 61 15.629 10.959 -2.271 1.00 0.00 H new ATOM 0 HB THR A 61 16.432 8.651 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.566 7.811 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.840 6.762 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.635 7.797 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.485 7.914 -1.867 1.00 0.00 H new ATOM 913 N THR A 62 13.369 11.158 -3.292 1.00 0.00 N ATOM 914 CA THR A 62 12.049 11.390 -3.832 1.00 0.00 C ATOM 915 C THR A 62 12.012 10.912 -5.274 1.00 0.00 C ATOM 916 O THR A 62 12.904 11.235 -6.063 1.00 0.00 O ATOM 917 CB THR A 62 11.708 12.887 -3.785 1.00 0.00 C ATOM 918 OG1 THR A 62 12.118 13.438 -2.524 1.00 0.00 O ATOM 919 CG2 THR A 62 10.218 13.119 -3.998 1.00 0.00 C ATOM 0 H THR A 62 14.129 11.536 -3.857 1.00 0.00 H new ATOM 0 HA THR A 62 11.319 10.843 -3.236 1.00 0.00 H new ATOM 0 HB THR A 62 12.245 13.387 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.346 13.844 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.007 14.188 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.924 12.726 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.655 12.610 -3.216 1.00 0.00 H new ATOM 927 N PHE A 63 10.999 10.140 -5.616 1.00 0.00 N ATOM 928 CA PHE A 63 10.853 9.643 -6.971 1.00 0.00 C ATOM 929 C PHE A 63 9.388 9.397 -7.295 1.00 0.00 C ATOM 930 O PHE A 63 8.526 9.490 -6.418 1.00 0.00 O ATOM 931 CB PHE A 63 11.710 8.381 -7.205 1.00 0.00 C ATOM 932 CG PHE A 63 11.336 7.164 -6.395 1.00 0.00 C ATOM 933 CD1 PHE A 63 11.764 7.015 -5.083 1.00 0.00 C ATOM 934 CD2 PHE A 63 10.579 6.152 -6.963 1.00 0.00 C ATOM 935 CE1 PHE A 63 11.439 5.885 -4.358 1.00 0.00 C ATOM 936 CE2 PHE A 63 10.251 5.023 -6.240 1.00 0.00 C ATOM 937 CZ PHE A 63 10.681 4.889 -4.936 1.00 0.00 C ATOM 0 H PHE A 63 10.264 9.843 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 63 11.222 10.408 -7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 63 11.654 8.120 -8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.750 8.628 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 63 12.358 7.791 -4.624 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.241 6.248 -7.984 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.779 5.782 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.657 4.244 -6.695 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.424 4.006 -4.369 1.00 0.00 H new ATOM 947 N SER A 64 9.115 9.088 -8.548 1.00 0.00 N ATOM 948 CA SER A 64 7.755 8.991 -9.036 1.00 0.00 C ATOM 949 C SER A 64 7.608 7.698 -9.816 1.00 0.00 C ATOM 950 O SER A 64 8.539 7.276 -10.507 1.00 0.00 O ATOM 951 CB SER A 64 7.415 10.196 -9.919 1.00 0.00 C ATOM 952 OG SER A 64 6.119 10.087 -10.482 1.00 0.00 O ATOM 0 H SER A 64 9.827 8.898 -9.253 1.00 0.00 H new ATOM 0 HA SER A 64 7.062 8.990 -8.194 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.479 11.109 -9.328 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.152 10.281 -10.717 1.00 0.00 H new ATOM 0 HG SER A 64 5.936 10.874 -11.037 1.00 0.00 H new ATOM 958 N LEU A 65 6.453 7.071 -9.709 1.00 0.00 N ATOM 959 CA LEU A 65 6.231 5.790 -10.357 1.00 0.00 C ATOM 960 C LEU A 65 4.843 5.707 -10.964 1.00 0.00 C ATOM 961 O LEU A 65 3.862 6.177 -10.380 1.00 0.00 O ATOM 962 CB LEU A 65 6.411 4.638 -9.366 1.00 0.00 C ATOM 963 CG LEU A 65 7.848 4.314 -8.962 1.00 0.00 C ATOM 964 CD1 LEU A 65 7.850 3.201 -7.936 1.00 0.00 C ATOM 965 CD2 LEU A 65 8.681 3.912 -10.170 1.00 0.00 C ATOM 0 H LEU A 65 5.655 7.425 -9.182 1.00 0.00 H new ATOM 0 HA LEU A 65 6.971 5.705 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.846 4.871 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.966 3.742 -9.798 1.00 0.00 H new ATOM 0 HG LEU A 65 8.294 5.210 -8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.876 2.972 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.290 3.516 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.385 2.312 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.699 3.687 -9.852 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.243 3.029 -10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.698 4.731 -10.889 1.00 0.00 H new ATOM 977 N GLU A 66 4.786 5.129 -12.151 1.00 0.00 N ATOM 978 CA GLU A 66 3.542 4.784 -12.790 1.00 0.00 C ATOM 979 C GLU A 66 2.828 3.713 -11.965 1.00 0.00 C ATOM 980 O GLU A 66 3.474 2.891 -11.317 1.00 0.00 O ATOM 981 CB GLU A 66 3.836 4.254 -14.196 1.00 0.00 C ATOM 982 CG GLU A 66 4.542 5.253 -15.107 1.00 0.00 C ATOM 983 CD GLU A 66 5.945 5.621 -14.662 1.00 0.00 C ATOM 984 OE1 GLU A 66 6.763 4.705 -14.433 1.00 0.00 O ATOM 985 OE2 GLU A 66 6.234 6.828 -14.527 1.00 0.00 O ATOM 0 H GLU A 66 5.612 4.887 -12.698 1.00 0.00 H new ATOM 0 HA GLU A 66 2.901 5.663 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.451 3.358 -14.113 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.898 3.954 -14.663 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.590 4.838 -16.114 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.942 6.161 -15.165 1.00 0.00 H new ATOM 992 N PRO A 67 1.482 3.731 -11.984 1.00 0.00 N ATOM 993 CA PRO A 67 0.633 2.848 -11.162 1.00 0.00 C ATOM 994 C PRO A 67 0.991 1.363 -11.242 1.00 0.00 C ATOM 995 O PRO A 67 0.672 0.603 -10.332 1.00 0.00 O ATOM 996 CB PRO A 67 -0.761 3.074 -11.733 1.00 0.00 C ATOM 997 CG PRO A 67 -0.722 4.453 -12.280 1.00 0.00 C ATOM 998 CD PRO A 67 0.669 4.647 -12.808 1.00 0.00 C ATOM 0 HA PRO A 67 0.746 3.088 -10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.994 2.346 -12.510 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.526 2.974 -10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.461 4.581 -13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.952 5.186 -11.507 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.734 4.399 -13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.998 5.681 -12.702 1.00 0.00 H new ATOM 1006 N ASP A 68 1.633 0.949 -12.326 1.00 0.00 N ATOM 1007 CA ASP A 68 2.059 -0.441 -12.475 1.00 0.00 C ATOM 1008 C ASP A 68 3.145 -0.785 -11.457 1.00 0.00 C ATOM 1009 O ASP A 68 3.292 -1.939 -11.046 1.00 0.00 O ATOM 1010 CB ASP A 68 2.568 -0.694 -13.897 1.00 0.00 C ATOM 1011 CG ASP A 68 3.013 -2.128 -14.110 1.00 0.00 C ATOM 1012 OD1 ASP A 68 2.143 -3.019 -14.202 1.00 0.00 O ATOM 1013 OD2 ASP A 68 4.235 -2.371 -14.189 1.00 0.00 O ATOM 0 H ASP A 68 1.871 1.551 -13.114 1.00 0.00 H new ATOM 0 HA ASP A 68 1.198 -1.083 -12.291 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.779 -0.452 -14.610 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.402 -0.024 -14.105 1.00 0.00 H new ATOM 1018 N ALA A 69 3.881 0.231 -11.028 1.00 0.00 N ATOM 1019 CA ALA A 69 4.978 0.043 -10.089 1.00 0.00 C ATOM 1020 C ALA A 69 4.631 0.588 -8.706 1.00 0.00 C ATOM 1021 O ALA A 69 5.388 0.404 -7.753 1.00 0.00 O ATOM 1022 CB ALA A 69 6.231 0.723 -10.617 1.00 0.00 C ATOM 0 H ALA A 69 3.737 1.199 -11.317 1.00 0.00 H new ATOM 0 HA ALA A 69 5.157 -1.028 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.048 0.579 -9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.503 0.289 -11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.042 1.789 -10.740 1.00 0.00 H new ATOM 1028 N ALA A 70 3.484 1.247 -8.596 1.00 0.00 N ATOM 1029 CA ALA A 70 3.090 1.885 -7.346 1.00 0.00 C ATOM 1030 C ALA A 70 1.574 1.896 -7.188 1.00 0.00 C ATOM 1031 O ALA A 70 0.858 2.312 -8.097 1.00 0.00 O ATOM 1032 CB ALA A 70 3.636 3.305 -7.282 1.00 0.00 C ATOM 0 H ALA A 70 2.812 1.354 -9.356 1.00 0.00 H new ATOM 0 HA ALA A 70 3.512 1.306 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.334 3.769 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.724 3.279 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.241 3.885 -8.117 1.00 0.00 H new ATOM 1095 N SER A 75 -8.503 -2.693 -11.638 1.00 0.00 N ATOM 1096 CA SER A 75 -9.068 -3.698 -12.511 1.00 0.00 C ATOM 1097 C SER A 75 -10.564 -3.447 -12.710 1.00 0.00 C ATOM 1098 O SER A 75 -11.372 -3.742 -11.831 1.00 0.00 O ATOM 1099 CB SER A 75 -8.822 -5.087 -11.912 1.00 0.00 C ATOM 1100 OG SER A 75 -9.451 -6.105 -12.669 1.00 0.00 O ATOM 0 HA SER A 75 -8.586 -3.645 -13.487 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.750 -5.278 -11.866 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.195 -5.112 -10.888 1.00 0.00 H new ATOM 0 HG SER A 75 -9.288 -5.951 -13.623 1.00 0.00 H new ATOM 1106 N PRO A 76 -10.958 -2.874 -13.856 1.00 0.00 N ATOM 1107 CA PRO A 76 -12.373 -2.681 -14.183 1.00 0.00 C ATOM 1108 C PRO A 76 -13.064 -4.012 -14.452 1.00 0.00 C ATOM 1109 O PRO A 76 -14.275 -4.141 -14.290 1.00 0.00 O ATOM 1110 CB PRO A 76 -12.342 -1.814 -15.444 1.00 0.00 C ATOM 1111 CG PRO A 76 -11.005 -2.068 -16.053 1.00 0.00 C ATOM 1112 CD PRO A 76 -10.069 -2.355 -14.911 1.00 0.00 C ATOM 0 HA PRO A 76 -12.932 -2.221 -13.368 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.146 -2.084 -16.129 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.471 -0.759 -15.201 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.046 -2.910 -16.743 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.667 -1.203 -16.625 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.309 -3.085 -15.189 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.544 -1.456 -14.587 1.00 0.00 H new ATOM 1120 N ASP A 77 -12.276 -5.004 -14.848 1.00 0.00 N ATOM 1121 CA ASP A 77 -12.789 -6.346 -15.086 1.00 0.00 C ATOM 1122 C ASP A 77 -13.018 -7.079 -13.769 1.00 0.00 C ATOM 1123 O ASP A 77 -13.594 -8.166 -13.743 1.00 0.00 O ATOM 1124 CB ASP A 77 -11.829 -7.145 -15.971 1.00 0.00 C ATOM 1125 CG ASP A 77 -10.510 -7.442 -15.287 1.00 0.00 C ATOM 1126 OD1 ASP A 77 -9.624 -6.560 -15.281 1.00 0.00 O ATOM 1127 OD2 ASP A 77 -10.344 -8.564 -14.765 1.00 0.00 O ATOM 0 H ASP A 77 -11.274 -4.903 -15.012 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.744 -6.252 -15.603 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.303 -8.083 -16.259 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.640 -6.589 -16.889 1.00 0.00 H new ATOM 1132 N LEU A 78 -12.553 -6.482 -12.673 1.00 0.00 N ATOM 1133 CA LEU A 78 -12.792 -7.026 -11.347 1.00 0.00 C ATOM 1134 C LEU A 78 -14.266 -6.879 -11.003 1.00 0.00 C ATOM 1135 O LEU A 78 -14.805 -7.590 -10.157 1.00 0.00 O ATOM 1136 CB LEU A 78 -11.934 -6.283 -10.319 1.00 0.00 C ATOM 1137 CG LEU A 78 -11.349 -7.136 -9.194 1.00 0.00 C ATOM 1138 CD1 LEU A 78 -10.802 -8.457 -9.719 1.00 0.00 C ATOM 1139 CD2 LEU A 78 -10.259 -6.363 -8.470 1.00 0.00 C ATOM 0 H LEU A 78 -12.008 -5.620 -12.682 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.522 -8.082 -11.330 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.112 -5.797 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.539 -5.493 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.152 -7.367 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.394 -9.037 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.605 -9.020 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.015 -8.261 -10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.847 -6.978 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.467 -6.105 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.680 -5.451 -8.047 1.00 0.00 H new ATOM 1151 N ILE A 79 -14.903 -5.955 -11.704 1.00 0.00 N ATOM 1152 CA ILE A 79 -16.319 -5.682 -11.545 1.00 0.00 C ATOM 1153 C ILE A 79 -17.150 -6.841 -12.095 1.00 0.00 C ATOM 1154 O ILE A 79 -16.916 -7.305 -13.210 1.00 0.00 O ATOM 1155 CB ILE A 79 -16.697 -4.372 -12.275 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -15.952 -3.189 -11.645 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -18.204 -4.144 -12.248 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -16.261 -1.857 -12.294 1.00 0.00 C ATOM 0 H ILE A 79 -14.447 -5.370 -12.404 1.00 0.00 H new ATOM 0 HA ILE A 79 -16.531 -5.570 -10.482 1.00 0.00 H new ATOM 0 HB ILE A 79 -16.397 -4.458 -13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -16.205 -3.134 -10.586 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.879 -3.373 -11.707 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -18.441 -3.216 -12.768 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -18.707 -4.976 -12.742 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -18.543 -4.077 -11.214 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -15.697 -1.069 -11.794 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -15.981 -1.892 -13.347 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -17.328 -1.650 -12.209 1.00 0.00 H new ATOM 1170 N GLN A 80 -18.125 -7.285 -11.310 1.00 0.00 N ATOM 1171 CA GLN A 80 -18.956 -8.430 -11.682 1.00 0.00 C ATOM 1172 C GLN A 80 -20.312 -8.317 -11.029 1.00 0.00 C ATOM 1173 O GLN A 80 -20.416 -8.295 -9.809 1.00 0.00 O ATOM 1174 CB GLN A 80 -18.311 -9.742 -11.258 1.00 0.00 C ATOM 1175 CG GLN A 80 -17.024 -10.068 -11.992 1.00 0.00 C ATOM 1176 CD GLN A 80 -16.234 -11.177 -11.335 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -16.430 -12.356 -11.627 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -15.319 -10.802 -10.455 1.00 0.00 N ATOM 0 H GLN A 80 -18.362 -6.870 -10.409 1.00 0.00 H new ATOM 0 HA GLN A 80 -19.061 -8.425 -12.767 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -18.106 -9.704 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -19.023 -10.552 -11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -17.259 -10.355 -13.017 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.406 -9.172 -12.046 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -15.190 -9.813 -10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -14.742 -11.502 -9.989 1.00 0.00 H new ATOM 1187 N TYR A 81 -21.343 -8.229 -11.843 1.00 0.00 N ATOM 1188 CA TYR A 81 -22.692 -8.115 -11.293 1.00 0.00 C ATOM 1189 C TYR A 81 -23.327 -9.449 -10.913 1.00 0.00 C ATOM 1190 O TYR A 81 -23.477 -10.358 -11.732 1.00 0.00 O ATOM 1191 CB TYR A 81 -23.582 -7.410 -12.324 1.00 0.00 C ATOM 1192 CG TYR A 81 -22.824 -6.492 -13.265 1.00 0.00 C ATOM 1193 CD1 TYR A 81 -22.064 -5.432 -12.783 1.00 0.00 C ATOM 1194 CD2 TYR A 81 -22.868 -6.693 -14.640 1.00 0.00 C ATOM 1195 CE1 TYR A 81 -21.368 -4.604 -13.642 1.00 0.00 C ATOM 1196 CE2 TYR A 81 -22.175 -5.865 -15.504 1.00 0.00 C ATOM 1197 CZ TYR A 81 -21.426 -4.824 -14.998 1.00 0.00 C ATOM 1198 OH TYR A 81 -20.719 -4.005 -15.851 1.00 0.00 O ATOM 0 H TYR A 81 -21.286 -8.233 -12.861 1.00 0.00 H new ATOM 0 HA TYR A 81 -22.607 -7.545 -10.368 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -24.107 -8.163 -12.912 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -24.340 -6.830 -11.798 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -22.017 -5.253 -11.719 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -23.453 -7.509 -15.040 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -20.781 -3.787 -13.250 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -22.220 -6.033 -16.570 1.00 0.00 H new ATOM 0 HH TYR A 81 -20.864 -4.293 -16.776 1.00 0.00 H new ATOM 1208 N PHE A 82 -23.683 -9.531 -9.635 1.00 0.00 N ATOM 1209 CA PHE A 82 -24.405 -10.672 -9.067 1.00 0.00 C ATOM 1210 C PHE A 82 -25.883 -10.326 -8.869 1.00 0.00 C ATOM 1211 O PHE A 82 -26.282 -9.173 -9.038 1.00 0.00 O ATOM 1212 CB PHE A 82 -23.796 -11.054 -7.712 1.00 0.00 C ATOM 1213 CG PHE A 82 -22.418 -11.661 -7.785 1.00 0.00 C ATOM 1214 CD1 PHE A 82 -21.343 -10.946 -8.295 1.00 0.00 C ATOM 1215 CD2 PHE A 82 -22.200 -12.951 -7.328 1.00 0.00 C ATOM 1216 CE1 PHE A 82 -20.083 -11.507 -8.349 1.00 0.00 C ATOM 1217 CE2 PHE A 82 -20.941 -13.515 -7.377 1.00 0.00 C ATOM 1218 CZ PHE A 82 -19.882 -12.792 -7.889 1.00 0.00 C ATOM 0 H PHE A 82 -23.477 -8.800 -8.954 1.00 0.00 H new ATOM 0 HA PHE A 82 -24.321 -11.510 -9.759 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -23.752 -10.163 -7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -24.462 -11.760 -7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -21.494 -9.939 -8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -23.025 -13.522 -6.929 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.256 -10.941 -8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.785 -14.521 -7.015 1.00 0.00 H new ATOM 0 HZ PHE A 82 -18.897 -13.232 -7.929 1.00 0.00 H new ATOM 1228 N SER A 83 -26.694 -11.325 -8.531 1.00 0.00 N ATOM 1229 CA SER A 83 -28.124 -11.116 -8.345 1.00 0.00 C ATOM 1230 C SER A 83 -28.402 -10.392 -7.031 1.00 0.00 C ATOM 1231 O SER A 83 -27.825 -10.708 -5.991 1.00 0.00 O ATOM 1232 CB SER A 83 -28.872 -12.446 -8.351 1.00 0.00 C ATOM 1233 OG SER A 83 -30.270 -12.246 -8.493 1.00 0.00 O ATOM 0 H SER A 83 -26.384 -12.285 -8.381 1.00 0.00 H new ATOM 0 HA SER A 83 -28.475 -10.502 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 83 -28.506 -13.069 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 83 -28.671 -12.984 -7.425 1.00 0.00 H new ATOM 0 HG SER A 83 -30.726 -13.113 -8.496 1.00 0.00 H new ATOM 1239 N ARG A 84 -29.303 -9.422 -7.100 1.00 0.00 N ATOM 1240 CA ARG A 84 -29.668 -8.596 -5.952 1.00 0.00 C ATOM 1241 C ARG A 84 -30.268 -9.383 -4.798 1.00 0.00 C ATOM 1242 O ARG A 84 -30.317 -8.885 -3.676 1.00 0.00 O ATOM 1243 CB ARG A 84 -30.656 -7.524 -6.390 1.00 0.00 C ATOM 1244 CG ARG A 84 -31.876 -8.086 -7.089 1.00 0.00 C ATOM 1245 CD ARG A 84 -32.932 -7.025 -7.269 1.00 0.00 C ATOM 1246 NE ARG A 84 -33.444 -6.572 -5.982 1.00 0.00 N ATOM 1247 CZ ARG A 84 -33.448 -5.296 -5.580 1.00 0.00 C ATOM 1248 NH1 ARG A 84 -32.980 -4.339 -6.377 1.00 0.00 N ATOM 1249 NH2 ARG A 84 -33.924 -4.980 -4.382 1.00 0.00 N ATOM 0 H ARG A 84 -29.804 -9.183 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 84 -28.742 -8.154 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -30.976 -6.955 -5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -30.152 -6.826 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -31.590 -8.488 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -32.283 -8.914 -6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -32.514 -6.180 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -33.750 -7.420 -7.871 1.00 0.00 H new ATOM 0 HE ARG A 84 -33.824 -7.273 -5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -32.616 -4.577 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -32.985 -3.368 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -34.286 -5.710 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -33.927 -4.007 -4.075 1.00 0.00 H new ATOM 1263 N ARG A 85 -30.718 -10.600 -5.047 1.00 0.00 N ATOM 1264 CA ARG A 85 -31.374 -11.373 -4.002 1.00 0.00 C ATOM 1265 C ARG A 85 -30.341 -11.870 -3.008 1.00 0.00 C ATOM 1266 O ARG A 85 -30.607 -11.977 -1.814 1.00 0.00 O ATOM 1267 CB ARG A 85 -32.154 -12.551 -4.587 1.00 0.00 C ATOM 1268 CG ARG A 85 -33.381 -12.147 -5.383 1.00 0.00 C ATOM 1269 CD ARG A 85 -33.017 -11.589 -6.749 1.00 0.00 C ATOM 1270 NE ARG A 85 -34.187 -11.086 -7.465 1.00 0.00 N ATOM 1271 CZ ARG A 85 -34.182 -10.731 -8.749 1.00 0.00 C ATOM 1272 NH1 ARG A 85 -33.095 -10.919 -9.489 1.00 0.00 N ATOM 1273 NH2 ARG A 85 -35.276 -10.214 -9.294 1.00 0.00 N ATOM 0 H ARG A 85 -30.644 -11.071 -5.949 1.00 0.00 H new ATOM 0 HA ARG A 85 -32.086 -10.724 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -31.490 -13.129 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -32.462 -13.209 -3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -34.033 -13.011 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -33.945 -11.400 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -32.291 -10.784 -6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -32.536 -12.367 -7.342 1.00 0.00 H new ATOM 0 HE ARG A 85 -35.063 -11.001 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -32.262 -11.336 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -33.094 -10.646 -10.472 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -36.117 -10.090 -8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -35.276 -9.941 -10.277 1.00 0.00 H new ATOM 1287 N GLU A 86 -29.146 -12.136 -3.521 1.00 0.00 N ATOM 1288 CA GLU A 86 -28.038 -12.641 -2.716 1.00 0.00 C ATOM 1289 C GLU A 86 -27.626 -11.626 -1.652 1.00 0.00 C ATOM 1290 O GLU A 86 -27.024 -11.974 -0.636 1.00 0.00 O ATOM 1291 CB GLU A 86 -26.846 -12.960 -3.621 1.00 0.00 C ATOM 1292 CG GLU A 86 -27.192 -13.886 -4.776 1.00 0.00 C ATOM 1293 CD GLU A 86 -26.011 -14.158 -5.688 1.00 0.00 C ATOM 1294 OE1 GLU A 86 -25.148 -14.982 -5.316 1.00 0.00 O ATOM 1295 OE2 GLU A 86 -25.942 -13.558 -6.779 1.00 0.00 O ATOM 0 H GLU A 86 -28.917 -12.008 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 86 -28.366 -13.549 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -26.444 -12.029 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -26.058 -13.417 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -27.563 -14.831 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -28.001 -13.445 -5.359 1.00 0.00 H new ATOM 1302 N PHE A 87 -27.969 -10.369 -1.890 1.00 0.00 N ATOM 1303 CA PHE A 87 -27.611 -9.292 -0.982 1.00 0.00 C ATOM 1304 C PHE A 87 -28.759 -8.974 -0.038 1.00 0.00 C ATOM 1305 O PHE A 87 -28.555 -8.410 1.034 1.00 0.00 O ATOM 1306 CB PHE A 87 -27.229 -8.043 -1.776 1.00 0.00 C ATOM 1307 CG PHE A 87 -25.993 -8.208 -2.615 1.00 0.00 C ATOM 1308 CD1 PHE A 87 -26.027 -8.919 -3.810 1.00 0.00 C ATOM 1309 CD2 PHE A 87 -24.795 -7.645 -2.211 1.00 0.00 C ATOM 1310 CE1 PHE A 87 -24.888 -9.061 -4.577 1.00 0.00 C ATOM 1311 CE2 PHE A 87 -23.654 -7.784 -2.977 1.00 0.00 C ATOM 1312 CZ PHE A 87 -23.701 -8.492 -4.161 1.00 0.00 C ATOM 0 H PHE A 87 -28.498 -10.070 -2.709 1.00 0.00 H new ATOM 0 HA PHE A 87 -26.757 -9.616 -0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -28.061 -7.768 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -27.077 -7.216 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -26.954 -9.364 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -24.752 -7.090 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -24.926 -9.617 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -22.726 -7.339 -2.650 1.00 0.00 H new ATOM 0 HZ PHE A 87 -22.810 -8.601 -4.761 1.00 0.00 H new ATOM 1322 N MET A 88 -29.957 -9.372 -0.437 1.00 0.00 N ATOM 1323 CA MET A 88 -31.171 -9.067 0.312 1.00 0.00 C ATOM 1324 C MET A 88 -31.128 -9.664 1.717 1.00 0.00 C ATOM 1325 O MET A 88 -31.759 -9.143 2.639 1.00 0.00 O ATOM 1326 CB MET A 88 -32.399 -9.582 -0.438 1.00 0.00 C ATOM 1327 CG MET A 88 -33.707 -9.287 0.274 1.00 0.00 C ATOM 1328 SD MET A 88 -35.151 -9.837 -0.655 1.00 0.00 S ATOM 1329 CE MET A 88 -35.064 -8.764 -2.086 1.00 0.00 C ATOM 0 H MET A 88 -30.117 -9.914 -1.286 1.00 0.00 H new ATOM 0 HA MET A 88 -31.237 -7.983 0.409 1.00 0.00 H new ATOM 0 HB2 MET A 88 -32.425 -9.132 -1.431 1.00 0.00 H new ATOM 0 HB3 MET A 88 -32.305 -10.659 -0.578 1.00 0.00 H new ATOM 0 HG2 MET A 88 -33.702 -9.774 1.249 1.00 0.00 H new ATOM 0 HG3 MET A 88 -33.783 -8.215 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 88 -36.041 -8.720 -2.568 1.00 0.00 H new ATOM 0 HE2 MET A 88 -34.768 -7.763 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 88 -34.330 -9.155 -2.790 1.00 0.00 H new ATOM 1339 N ASP A 89 -30.380 -10.754 1.875 1.00 0.00 N ATOM 1340 CA ASP A 89 -30.198 -11.390 3.174 1.00 0.00 C ATOM 1341 C ASP A 89 -29.712 -10.393 4.223 1.00 0.00 C ATOM 1342 O ASP A 89 -30.085 -10.480 5.393 1.00 0.00 O ATOM 1343 CB ASP A 89 -29.197 -12.538 3.062 1.00 0.00 C ATOM 1344 CG ASP A 89 -29.649 -13.634 2.116 1.00 0.00 C ATOM 1345 OD1 ASP A 89 -30.730 -14.217 2.343 1.00 0.00 O ATOM 1346 OD2 ASP A 89 -28.915 -13.929 1.148 1.00 0.00 O ATOM 0 H ASP A 89 -29.887 -11.217 1.111 1.00 0.00 H new ATOM 0 HA ASP A 89 -31.167 -11.776 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -28.239 -12.145 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -29.032 -12.966 4.051 1.00 0.00 H new ATOM 1351 N ALA A 90 -28.895 -9.443 3.794 1.00 0.00 N ATOM 1352 CA ALA A 90 -28.372 -8.422 4.690 1.00 0.00 C ATOM 1353 C ALA A 90 -28.994 -7.064 4.374 1.00 0.00 C ATOM 1354 O ALA A 90 -28.485 -6.018 4.791 1.00 0.00 O ATOM 1355 CB ALA A 90 -26.856 -8.363 4.585 1.00 0.00 C ATOM 0 H ALA A 90 -28.579 -9.358 2.828 1.00 0.00 H new ATOM 0 HA ALA A 90 -28.637 -8.683 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -26.474 -7.596 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -26.434 -9.330 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -26.571 -8.120 3.561 1.00 0.00 H new ATOM 1361 N GLY A 91 -30.095 -7.088 3.634 1.00 0.00 N ATOM 1362 CA GLY A 91 -30.743 -5.862 3.218 1.00 0.00 C ATOM 1363 C GLY A 91 -30.281 -5.422 1.851 1.00 0.00 C ATOM 1364 O GLY A 91 -29.184 -5.774 1.420 1.00 0.00 O ATOM 0 H GLY A 91 -30.552 -7.941 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -31.823 -6.007 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -30.534 -5.076 3.943 1.00 0.00 H new ATOM 1368 N GLU A 92 -31.114 -4.658 1.164 1.00 0.00 N ATOM 1369 CA GLU A 92 -30.796 -4.178 -0.146 1.00 0.00 C ATOM 1370 C GLU A 92 -29.596 -3.232 -0.078 1.00 0.00 C ATOM 1371 O GLU A 92 -29.560 -2.309 0.740 1.00 0.00 O ATOM 1372 CB GLU A 92 -32.025 -3.496 -0.734 1.00 0.00 C ATOM 1373 CG GLU A 92 -31.679 -2.545 -1.832 1.00 0.00 C ATOM 1374 CD GLU A 92 -32.887 -1.898 -2.470 1.00 0.00 C ATOM 1375 OE1 GLU A 92 -33.665 -2.605 -3.146 1.00 0.00 O ATOM 1376 OE2 GLU A 92 -33.066 -0.675 -2.302 1.00 0.00 O ATOM 0 H GLU A 92 -32.026 -4.360 1.509 1.00 0.00 H new ATOM 0 HA GLU A 92 -30.519 -5.007 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -32.710 -4.254 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -32.551 -2.959 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -31.026 -1.767 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -31.114 -3.076 -2.598 1.00 0.00 H new ATOM 1383 N PRO A 93 -28.578 -3.499 -0.907 1.00 0.00 N ATOM 1384 CA PRO A 93 -27.322 -2.742 -0.913 1.00 0.00 C ATOM 1385 C PRO A 93 -27.479 -1.284 -1.345 1.00 0.00 C ATOM 1386 O PRO A 93 -28.506 -0.890 -1.903 1.00 0.00 O ATOM 1387 CB PRO A 93 -26.454 -3.501 -1.913 1.00 0.00 C ATOM 1388 CG PRO A 93 -27.399 -4.258 -2.766 1.00 0.00 C ATOM 1389 CD PRO A 93 -28.569 -4.591 -1.893 1.00 0.00 C ATOM 0 HA PRO A 93 -26.902 -2.678 0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -25.851 -2.815 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -25.763 -4.172 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -27.710 -3.664 -3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -26.933 -5.163 -3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -29.498 -4.627 -2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -28.450 -5.563 -1.415 1.00 0.00 H new ATOM 1397 N GLU A 94 -26.441 -0.490 -1.084 1.00 0.00 N ATOM 1398 CA GLU A 94 -26.459 0.938 -1.384 1.00 0.00 C ATOM 1399 C GLU A 94 -25.439 1.274 -2.467 1.00 0.00 C ATOM 1400 O GLU A 94 -24.446 0.570 -2.635 1.00 0.00 O ATOM 1401 CB GLU A 94 -26.143 1.751 -0.127 1.00 0.00 C ATOM 1402 CG GLU A 94 -26.809 1.219 1.129 1.00 0.00 C ATOM 1403 CD GLU A 94 -26.631 2.137 2.319 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -25.541 2.122 2.935 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -27.584 2.865 2.659 1.00 0.00 O ATOM 0 H GLU A 94 -25.572 -0.817 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 94 -27.457 1.193 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -25.064 1.765 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -26.457 2.783 -0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -27.873 1.079 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -26.396 0.239 1.367 1.00 0.00 H new ATOM 1412 N ILE A 95 -25.688 2.358 -3.191 1.00 0.00 N ATOM 1413 CA ILE A 95 -24.815 2.769 -4.283 1.00 0.00 C ATOM 1414 C ILE A 95 -23.604 3.553 -3.771 1.00 0.00 C ATOM 1415 O ILE A 95 -23.742 4.501 -3.001 1.00 0.00 O ATOM 1416 CB ILE A 95 -25.586 3.606 -5.329 1.00 0.00 C ATOM 1417 CG1 ILE A 95 -26.737 2.774 -5.889 1.00 0.00 C ATOM 1418 CG2 ILE A 95 -24.663 4.062 -6.450 1.00 0.00 C ATOM 1419 CD1 ILE A 95 -27.444 3.392 -7.073 1.00 0.00 C ATOM 0 H ILE A 95 -26.490 2.970 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 95 -24.453 1.860 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 95 -25.984 4.498 -4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -26.352 1.797 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -27.465 2.605 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -25.230 4.649 -7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -23.861 4.673 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -24.235 3.191 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -28.246 2.732 -7.403 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -27.863 4.356 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -26.733 3.535 -7.887 1.00 0.00 H new ATOM 1431 N GLY A 96 -22.425 3.136 -4.214 1.00 0.00 N ATOM 1432 CA GLY A 96 -21.185 3.786 -3.837 1.00 0.00 C ATOM 1433 C GLY A 96 -20.791 3.531 -2.395 1.00 0.00 C ATOM 1434 O GLY A 96 -20.098 4.342 -1.781 1.00 0.00 O ATOM 0 H GLY A 96 -22.306 2.341 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -20.386 3.438 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -21.282 4.860 -3.996 1.00 0.00 H new ATOM 1438 N ALA A 97 -21.226 2.403 -1.855 1.00 0.00 N ATOM 1439 CA ALA A 97 -20.860 2.019 -0.499 1.00 0.00 C ATOM 1440 C ALA A 97 -19.902 0.836 -0.515 1.00 0.00 C ATOM 1441 O ALA A 97 -20.160 -0.169 -1.171 1.00 0.00 O ATOM 1442 CB ALA A 97 -22.102 1.688 0.319 1.00 0.00 C ATOM 0 H ALA A 97 -21.833 1.737 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 97 -20.354 2.864 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.807 1.403 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -22.752 2.562 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -22.637 0.862 -0.149 1.00 0.00 H new ATOM 1448 N ILE A 98 -18.794 0.968 0.196 1.00 0.00 N ATOM 1449 CA ILE A 98 -17.824 -0.114 0.317 1.00 0.00 C ATOM 1450 C ILE A 98 -18.203 -0.975 1.505 1.00 0.00 C ATOM 1451 O ILE A 98 -18.499 -0.438 2.575 1.00 0.00 O ATOM 1452 CB ILE A 98 -16.392 0.430 0.530 1.00 0.00 C ATOM 1453 CG1 ILE A 98 -16.077 1.500 -0.517 1.00 0.00 C ATOM 1454 CG2 ILE A 98 -15.362 -0.703 0.463 1.00 0.00 C ATOM 1455 CD1 ILE A 98 -15.340 2.693 0.041 1.00 0.00 C ATOM 0 H ILE A 98 -18.541 1.817 0.701 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.836 -0.693 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 98 -16.337 0.879 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -15.480 1.054 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -17.009 1.838 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.363 -0.296 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.577 -1.437 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.413 -1.183 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -15.151 3.410 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -15.945 3.164 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -14.392 2.367 0.469 1.00 0.00 H new ATOM 1467 N MET A 99 -18.216 -2.294 1.355 1.00 0.00 N ATOM 1468 CA MET A 99 -18.509 -3.177 2.459 1.00 0.00 C ATOM 1469 C MET A 99 -17.505 -4.316 2.384 1.00 0.00 C ATOM 1470 O MET A 99 -16.925 -4.565 1.323 1.00 0.00 O ATOM 1471 CB MET A 99 -19.917 -3.775 2.362 1.00 0.00 C ATOM 1472 CG MET A 99 -20.989 -2.848 1.807 1.00 0.00 C ATOM 1473 SD MET A 99 -22.653 -3.488 2.089 1.00 0.00 S ATOM 1474 CE MET A 99 -22.537 -5.111 1.336 1.00 0.00 C ATOM 0 H MET A 99 -18.025 -2.770 0.473 1.00 0.00 H new ATOM 0 HA MET A 99 -18.450 -2.616 3.392 1.00 0.00 H new ATOM 0 HB2 MET A 99 -19.872 -4.665 1.735 1.00 0.00 H new ATOM 0 HB3 MET A 99 -20.223 -4.101 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 99 -20.895 -1.867 2.272 1.00 0.00 H new ATOM 0 HG3 MET A 99 -20.830 -2.711 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 99 -23.515 -5.591 1.354 1.00 0.00 H new ATOM 0 HE2 MET A 99 -22.201 -5.010 0.304 1.00 0.00 H new ATOM 0 HE3 MET A 99 -21.824 -5.720 1.892 1.00 0.00 H new ATOM 1484 N LEU A 100 -17.270 -4.983 3.490 1.00 0.00 N ATOM 1485 CA LEU A 100 -16.414 -6.154 3.448 1.00 0.00 C ATOM 1486 C LEU A 100 -17.116 -7.312 2.748 1.00 0.00 C ATOM 1487 O LEU A 100 -17.984 -7.989 3.300 1.00 0.00 O ATOM 1488 CB LEU A 100 -15.930 -6.547 4.840 1.00 0.00 C ATOM 1489 CG LEU A 100 -14.462 -6.219 5.110 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -13.588 -6.944 4.112 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -14.214 -4.724 5.023 1.00 0.00 C ATOM 0 H LEU A 100 -17.646 -4.747 4.408 1.00 0.00 H new ATOM 0 HA LEU A 100 -15.529 -5.900 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -16.546 -6.040 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -16.082 -7.618 4.976 1.00 0.00 H new ATOM 0 HG LEU A 100 -14.215 -6.547 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.542 -6.709 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.742 -8.019 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.849 -6.628 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.162 -4.518 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -14.473 -4.370 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.828 -4.210 5.762 1.00 0.00 H new ATOM 1503 N PHE A 101 -16.689 -7.510 1.512 1.00 0.00 N ATOM 1504 CA PHE A 101 -17.273 -8.466 0.585 1.00 0.00 C ATOM 1505 C PHE A 101 -16.621 -9.833 0.675 1.00 0.00 C ATOM 1506 O PHE A 101 -15.606 -10.020 1.338 1.00 0.00 O ATOM 1507 CB PHE A 101 -17.138 -7.950 -0.849 1.00 0.00 C ATOM 1508 CG PHE A 101 -18.346 -7.218 -1.360 1.00 0.00 C ATOM 1509 CD1 PHE A 101 -18.936 -6.213 -0.618 1.00 0.00 C ATOM 1510 CD2 PHE A 101 -18.892 -7.547 -2.591 1.00 0.00 C ATOM 1511 CE1 PHE A 101 -20.048 -5.546 -1.092 1.00 0.00 C ATOM 1512 CE2 PHE A 101 -20.004 -6.886 -3.069 1.00 0.00 C ATOM 1513 CZ PHE A 101 -20.583 -5.883 -2.320 1.00 0.00 C ATOM 0 H PHE A 101 -15.904 -6.995 1.114 1.00 0.00 H new ATOM 0 HA PHE A 101 -18.322 -8.573 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -16.275 -7.286 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -16.933 -8.794 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -18.523 -5.946 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -18.441 -8.330 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -20.499 -4.761 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -20.421 -7.153 -4.029 1.00 0.00 H new ATOM 0 HZ PHE A 101 -21.453 -5.362 -2.693 1.00 0.00 H new ATOM 1523 N THR A 102 -17.250 -10.777 0.006 1.00 0.00 N ATOM 1524 CA THR A 102 -16.750 -12.134 -0.046 1.00 0.00 C ATOM 1525 C THR A 102 -16.619 -12.580 -1.497 1.00 0.00 C ATOM 1526 O THR A 102 -17.463 -12.255 -2.333 1.00 0.00 O ATOM 1527 CB THR A 102 -17.645 -13.114 0.731 1.00 0.00 C ATOM 1528 OG1 THR A 102 -18.171 -12.469 1.899 1.00 0.00 O ATOM 1529 CG2 THR A 102 -16.835 -14.331 1.159 1.00 0.00 C ATOM 0 H THR A 102 -18.115 -10.627 -0.513 1.00 0.00 H new ATOM 0 HA THR A 102 -15.771 -12.143 0.432 1.00 0.00 H new ATOM 0 HB THR A 102 -18.464 -13.430 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.742 -13.096 2.390 1.00 0.00 H new ATOM 0 HG21 THR A 102 -17.476 -15.020 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 102 -16.437 -14.832 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 102 -16.011 -14.013 1.799 1.00 0.00 H new ATOM 1537 N ALA A 103 -15.555 -13.305 -1.792 1.00 0.00 N ATOM 1538 CA ALA A 103 -15.302 -13.789 -3.139 1.00 0.00 C ATOM 1539 C ALA A 103 -15.804 -15.214 -3.295 1.00 0.00 C ATOM 1540 O ALA A 103 -16.055 -15.909 -2.305 1.00 0.00 O ATOM 1541 CB ALA A 103 -13.816 -13.727 -3.452 1.00 0.00 C ATOM 0 H ALA A 103 -14.846 -13.574 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 103 -15.838 -13.149 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.642 -14.093 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.470 -12.696 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.269 -14.348 -2.743 1.00 0.00 H new ATOM 1547 N MET A 104 -15.935 -15.647 -4.542 1.00 0.00 N ATOM 1548 CA MET A 104 -16.420 -16.985 -4.853 1.00 0.00 C ATOM 1549 C MET A 104 -15.426 -18.047 -4.392 1.00 0.00 C ATOM 1550 O MET A 104 -15.783 -19.211 -4.224 1.00 0.00 O ATOM 1551 CB MET A 104 -16.679 -17.127 -6.355 1.00 0.00 C ATOM 1552 CG MET A 104 -17.714 -16.153 -6.896 1.00 0.00 C ATOM 1553 SD MET A 104 -17.090 -14.466 -7.037 1.00 0.00 S ATOM 1554 CE MET A 104 -15.940 -14.638 -8.400 1.00 0.00 C ATOM 0 H MET A 104 -15.709 -15.084 -5.362 1.00 0.00 H new ATOM 0 HA MET A 104 -17.358 -17.134 -4.317 1.00 0.00 H new ATOM 0 HB2 MET A 104 -15.741 -16.980 -6.891 1.00 0.00 H new ATOM 0 HB3 MET A 104 -17.009 -18.145 -6.562 1.00 0.00 H new ATOM 0 HG2 MET A 104 -18.048 -16.494 -7.876 1.00 0.00 H new ATOM 0 HG3 MET A 104 -18.586 -16.158 -6.242 1.00 0.00 H new ATOM 0 HE1 MET A 104 -15.731 -13.657 -8.826 1.00 0.00 H new ATOM 0 HE2 MET A 104 -15.012 -15.082 -8.039 1.00 0.00 H new ATOM 0 HE3 MET A 104 -16.376 -15.280 -9.165 1.00 0.00 H new ATOM 1564 N ASP A 105 -14.180 -17.637 -4.182 1.00 0.00 N ATOM 1565 CA ASP A 105 -13.132 -18.558 -3.755 1.00 0.00 C ATOM 1566 C ASP A 105 -12.983 -18.569 -2.234 1.00 0.00 C ATOM 1567 O ASP A 105 -11.975 -19.038 -1.699 1.00 0.00 O ATOM 1568 CB ASP A 105 -11.797 -18.214 -4.420 1.00 0.00 C ATOM 1569 CG ASP A 105 -11.217 -16.892 -3.957 1.00 0.00 C ATOM 1570 OD1 ASP A 105 -11.666 -15.838 -4.451 1.00 0.00 O ATOM 1571 OD2 ASP A 105 -10.307 -16.905 -3.106 1.00 0.00 O ATOM 0 H ASP A 105 -13.870 -16.672 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.428 -19.558 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.081 -19.009 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.935 -18.183 -5.501 1.00 0.00 H new ATOM 1576 N GLY A 106 -13.990 -18.046 -1.537 1.00 0.00 N ATOM 1577 CA GLY A 106 -14.012 -18.109 -0.088 1.00 0.00 C ATOM 1578 C GLY A 106 -13.250 -16.984 0.569 1.00 0.00 C ATOM 1579 O GLY A 106 -13.345 -16.782 1.779 1.00 0.00 O ATOM 0 H GLY A 106 -14.794 -17.578 -1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.047 -18.087 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -13.590 -19.061 0.234 1.00 0.00 H new ATOM 1583 N SER A 107 -12.497 -16.253 -0.225 1.00 0.00 N ATOM 1584 CA SER A 107 -11.711 -15.150 0.281 1.00 0.00 C ATOM 1585 C SER A 107 -12.579 -13.927 0.516 1.00 0.00 C ATOM 1586 O SER A 107 -13.578 -13.719 -0.161 1.00 0.00 O ATOM 1587 CB SER A 107 -10.607 -14.816 -0.708 1.00 0.00 C ATOM 1588 OG SER A 107 -9.710 -15.902 -0.857 1.00 0.00 O ATOM 0 H SER A 107 -12.413 -16.405 -1.230 1.00 0.00 H new ATOM 0 HA SER A 107 -11.273 -15.446 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.044 -14.566 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.063 -13.935 -0.367 1.00 0.00 H new ATOM 0 HG SER A 107 -9.635 -16.137 -1.806 1.00 0.00 H new ATOM 1594 N GLU A 108 -12.191 -13.137 1.489 1.00 0.00 N ATOM 1595 CA GLU A 108 -12.873 -11.892 1.767 1.00 0.00 C ATOM 1596 C GLU A 108 -12.204 -10.772 0.975 1.00 0.00 C ATOM 1597 O GLU A 108 -10.992 -10.804 0.750 1.00 0.00 O ATOM 1598 CB GLU A 108 -12.844 -11.622 3.267 1.00 0.00 C ATOM 1599 CG GLU A 108 -13.711 -10.466 3.695 1.00 0.00 C ATOM 1600 CD GLU A 108 -13.753 -10.295 5.200 1.00 0.00 C ATOM 1601 OE1 GLU A 108 -12.746 -9.844 5.783 1.00 0.00 O ATOM 1602 OE2 GLU A 108 -14.795 -10.617 5.806 1.00 0.00 O ATOM 0 H GLU A 108 -11.403 -13.334 2.105 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.917 -11.949 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -13.166 -12.520 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.816 -11.425 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.338 -9.549 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.724 -10.619 3.322 1.00 0.00 H new ATOM 1609 N MET A 109 -12.992 -9.788 0.540 1.00 0.00 N ATOM 1610 CA MET A 109 -12.552 -8.861 -0.496 1.00 0.00 C ATOM 1611 C MET A 109 -13.025 -7.483 -0.055 1.00 0.00 C ATOM 1612 O MET A 109 -14.032 -7.403 0.649 1.00 0.00 O ATOM 1613 CB MET A 109 -13.178 -9.192 -1.851 1.00 0.00 C ATOM 1614 CG MET A 109 -12.728 -10.510 -2.444 1.00 0.00 C ATOM 1615 SD MET A 109 -11.030 -10.475 -3.049 1.00 0.00 S ATOM 1616 CE MET A 109 -11.225 -9.473 -4.522 1.00 0.00 C ATOM 0 H MET A 109 -13.935 -9.615 0.889 1.00 0.00 H new ATOM 0 HA MET A 109 -11.470 -8.917 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 109 -14.262 -9.208 -1.742 1.00 0.00 H new ATOM 0 HB3 MET A 109 -12.940 -8.392 -2.552 1.00 0.00 H new ATOM 0 HG2 MET A 109 -12.822 -11.291 -1.690 1.00 0.00 H new ATOM 0 HG3 MET A 109 -13.394 -10.778 -3.265 1.00 0.00 H new ATOM 0 HE1 MET A 109 -10.348 -9.587 -5.159 1.00 0.00 H new ATOM 0 HE2 MET A 109 -12.113 -9.795 -5.066 1.00 0.00 H new ATOM 0 HE3 MET A 109 -11.334 -8.426 -4.238 1.00 0.00 H new ATOM 1626 N PRO A 110 -12.368 -6.379 -0.404 1.00 0.00 N ATOM 1627 CA PRO A 110 -13.026 -5.096 -0.293 1.00 0.00 C ATOM 1628 C PRO A 110 -13.914 -4.868 -1.510 1.00 0.00 C ATOM 1629 O PRO A 110 -13.420 -4.729 -2.631 1.00 0.00 O ATOM 1630 CB PRO A 110 -11.883 -4.080 -0.238 1.00 0.00 C ATOM 1631 CG PRO A 110 -10.615 -4.850 -0.510 1.00 0.00 C ATOM 1632 CD PRO A 110 -11.000 -6.260 -0.902 1.00 0.00 C ATOM 0 HA PRO A 110 -13.671 -5.019 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -12.026 -3.294 -0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -11.841 -3.595 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.044 -4.375 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.978 -4.861 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -10.949 -6.407 -1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.340 -6.999 -0.448 1.00 0.00 H new ATOM 1640 N GLY A 111 -15.216 -4.836 -1.292 1.00 0.00 N ATOM 1641 CA GLY A 111 -16.126 -4.609 -2.379 1.00 0.00 C ATOM 1642 C GLY A 111 -16.983 -3.399 -2.160 1.00 0.00 C ATOM 1643 O GLY A 111 -17.638 -3.267 -1.127 1.00 0.00 O ATOM 0 H GLY A 111 -15.655 -4.964 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -15.561 -4.489 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.763 -5.484 -2.506 1.00 0.00 H new ATOM 1647 N VAL A 112 -16.974 -2.507 -3.119 1.00 0.00 N ATOM 1648 CA VAL A 112 -17.855 -1.368 -3.076 1.00 0.00 C ATOM 1649 C VAL A 112 -18.970 -1.587 -4.061 1.00 0.00 C ATOM 1650 O VAL A 112 -18.761 -2.115 -5.145 1.00 0.00 O ATOM 1651 CB VAL A 112 -17.122 -0.010 -3.310 1.00 0.00 C ATOM 1652 CG1 VAL A 112 -15.731 -0.224 -3.888 1.00 0.00 C ATOM 1653 CG2 VAL A 112 -17.936 0.940 -4.195 1.00 0.00 C ATOM 0 H VAL A 112 -16.367 -2.548 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 112 -18.265 -1.288 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 112 -17.017 0.463 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -15.247 0.741 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -15.138 -0.823 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -15.810 -0.744 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -17.387 1.872 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -18.107 0.476 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -18.894 1.150 -3.719 1.00 0.00 H new ATOM 1663 N ILE A 113 -20.160 -1.211 -3.678 1.00 0.00 N ATOM 1664 CA ILE A 113 -21.305 -1.489 -4.491 1.00 0.00 C ATOM 1665 C ILE A 113 -21.485 -0.335 -5.445 1.00 0.00 C ATOM 1666 O ILE A 113 -21.862 0.759 -5.049 1.00 0.00 O ATOM 1667 CB ILE A 113 -22.548 -1.671 -3.619 1.00 0.00 C ATOM 1668 CG1 ILE A 113 -22.191 -2.538 -2.413 1.00 0.00 C ATOM 1669 CG2 ILE A 113 -23.662 -2.308 -4.425 1.00 0.00 C ATOM 1670 CD1 ILE A 113 -23.348 -2.822 -1.495 1.00 0.00 C ATOM 0 H ILE A 113 -20.358 -0.713 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 113 -21.159 -2.415 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 113 -22.896 -0.699 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -21.782 -3.484 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -21.403 -2.044 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -24.542 -2.433 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -23.910 -1.668 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -23.336 -3.282 -4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -23.010 -3.443 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -23.744 -1.883 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -24.129 -3.346 -2.046 1.00 0.00 H new ATOM 1682 N ARG A 114 -21.196 -0.595 -6.703 1.00 0.00 N ATOM 1683 CA ARG A 114 -21.136 0.448 -7.705 1.00 0.00 C ATOM 1684 C ARG A 114 -22.499 1.090 -7.925 1.00 0.00 C ATOM 1685 O ARG A 114 -22.608 2.313 -7.951 1.00 0.00 O ATOM 1686 CB ARG A 114 -20.566 -0.129 -9.009 1.00 0.00 C ATOM 1687 CG ARG A 114 -20.980 0.618 -10.273 1.00 0.00 C ATOM 1688 CD ARG A 114 -20.537 2.068 -10.254 1.00 0.00 C ATOM 1689 NE ARG A 114 -19.091 2.204 -10.440 1.00 0.00 N ATOM 1690 CZ ARG A 114 -18.363 3.208 -9.953 1.00 0.00 C ATOM 1691 NH1 ARG A 114 -18.943 4.198 -9.283 1.00 0.00 N ATOM 1692 NH2 ARG A 114 -17.054 3.224 -10.153 1.00 0.00 N ATOM 0 H ARG A 114 -20.997 -1.530 -7.058 1.00 0.00 H new ATOM 0 HA ARG A 114 -20.474 1.238 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -19.478 -0.130 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -20.881 -1.169 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -20.552 0.121 -11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -22.064 0.573 -10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -21.056 2.616 -11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -20.825 2.522 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 114 -18.610 1.483 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -19.953 4.193 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -18.379 4.963 -8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -16.609 2.471 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.491 3.990 -9.783 1.00 0.00 H new ATOM 1706 N GLU A 115 -23.522 0.276 -8.083 1.00 0.00 N ATOM 1707 CA GLU A 115 -24.844 0.781 -8.399 1.00 0.00 C ATOM 1708 C GLU A 115 -25.886 -0.287 -8.078 1.00 0.00 C ATOM 1709 O GLU A 115 -25.542 -1.460 -7.923 1.00 0.00 O ATOM 1710 CB GLU A 115 -24.893 1.186 -9.876 1.00 0.00 C ATOM 1711 CG GLU A 115 -25.810 2.361 -10.157 1.00 0.00 C ATOM 1712 CD GLU A 115 -25.920 2.658 -11.635 1.00 0.00 C ATOM 1713 OE1 GLU A 115 -26.773 2.049 -12.311 1.00 0.00 O ATOM 1714 OE2 GLU A 115 -25.140 3.494 -12.137 1.00 0.00 O ATOM 0 H GLU A 115 -23.465 -0.739 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 115 -25.065 1.662 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -23.885 1.435 -10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -25.221 0.331 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -26.801 2.150 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -25.437 3.244 -9.637 1.00 0.00 H new ATOM 1721 N ILE A 116 -27.148 0.104 -7.963 1.00 0.00 N ATOM 1722 CA ILE A 116 -28.209 -0.861 -7.715 1.00 0.00 C ATOM 1723 C ILE A 116 -29.113 -0.968 -8.931 1.00 0.00 C ATOM 1724 O ILE A 116 -29.817 -0.024 -9.286 1.00 0.00 O ATOM 1725 CB ILE A 116 -29.076 -0.516 -6.484 1.00 0.00 C ATOM 1726 CG1 ILE A 116 -28.212 -0.199 -5.261 1.00 0.00 C ATOM 1727 CG2 ILE A 116 -30.014 -1.677 -6.170 1.00 0.00 C ATOM 1728 CD1 ILE A 116 -27.229 -1.288 -4.899 1.00 0.00 C ATOM 0 H ILE A 116 -27.459 1.072 -8.037 1.00 0.00 H new ATOM 0 HA ILE A 116 -27.712 -1.810 -7.513 1.00 0.00 H new ATOM 0 HB ILE A 116 -29.660 0.373 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -27.663 0.724 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -28.864 -0.015 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -30.623 -1.428 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -30.662 -1.863 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -29.428 -2.571 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -26.656 -0.985 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -27.770 -2.208 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -26.550 -1.458 -5.735 1.00 0.00 H new ATOM 1740 N ASN A 117 -29.071 -2.117 -9.570 1.00 0.00 N ATOM 1741 CA ASN A 117 -29.892 -2.386 -10.743 1.00 0.00 C ATOM 1742 C ASN A 117 -31.156 -3.130 -10.336 1.00 0.00 C ATOM 1743 O ASN A 117 -31.199 -3.727 -9.257 1.00 0.00 O ATOM 1744 CB ASN A 117 -29.119 -3.183 -11.799 1.00 0.00 C ATOM 1745 CG ASN A 117 -28.073 -2.359 -12.533 1.00 0.00 C ATOM 1746 OD1 ASN A 117 -27.759 -2.632 -13.691 1.00 0.00 O ATOM 1747 ND2 ASN A 117 -27.534 -1.346 -11.877 1.00 0.00 N ATOM 0 H ASN A 117 -28.469 -2.894 -9.296 1.00 0.00 H new ATOM 0 HA ASN A 117 -30.168 -1.430 -11.188 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -28.631 -4.031 -11.318 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -29.824 -3.590 -12.524 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -26.833 -0.760 -12.330 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -27.819 -1.150 -10.918 1.00 0.00 H new ATOM 1754 N GLY A 118 -32.184 -3.076 -11.169 1.00 0.00 N ATOM 1755 CA GLY A 118 -33.475 -3.618 -10.786 1.00 0.00 C ATOM 1756 C GLY A 118 -33.420 -5.086 -10.401 1.00 0.00 C ATOM 1757 O GLY A 118 -33.997 -5.480 -9.389 1.00 0.00 O ATOM 0 H GLY A 118 -32.150 -2.667 -12.103 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -33.868 -3.044 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -34.174 -3.492 -11.613 1.00 0.00 H new ATOM 1761 N ASP A 119 -32.734 -5.890 -11.202 1.00 0.00 N ATOM 1762 CA ASP A 119 -32.579 -7.316 -10.920 1.00 0.00 C ATOM 1763 C ASP A 119 -31.129 -7.670 -10.605 1.00 0.00 C ATOM 1764 O ASP A 119 -30.845 -8.736 -10.055 1.00 0.00 O ATOM 1765 CB ASP A 119 -33.057 -8.162 -12.104 1.00 0.00 C ATOM 1766 CG ASP A 119 -34.558 -8.119 -12.299 1.00 0.00 C ATOM 1767 OD1 ASP A 119 -35.266 -8.931 -11.668 1.00 0.00 O ATOM 1768 OD2 ASP A 119 -35.037 -7.280 -13.091 1.00 0.00 O ATOM 0 H ASP A 119 -32.273 -5.580 -12.057 1.00 0.00 H new ATOM 0 HA ASP A 119 -33.192 -7.536 -10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -32.569 -7.812 -13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -32.746 -9.196 -11.953 1.00 0.00 H new ATOM 1773 N SER A 120 -30.214 -6.775 -10.938 1.00 0.00 N ATOM 1774 CA SER A 120 -28.791 -7.069 -10.839 1.00 0.00 C ATOM 1775 C SER A 120 -28.110 -6.153 -9.825 1.00 0.00 C ATOM 1776 O SER A 120 -28.622 -5.086 -9.498 1.00 0.00 O ATOM 1777 CB SER A 120 -28.144 -6.903 -12.218 1.00 0.00 C ATOM 1778 OG SER A 120 -26.812 -7.387 -12.233 1.00 0.00 O ATOM 0 H SER A 120 -30.429 -5.838 -11.279 1.00 0.00 H new ATOM 0 HA SER A 120 -28.668 -8.096 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 120 -28.734 -7.437 -12.963 1.00 0.00 H new ATOM 0 HB3 SER A 120 -28.152 -5.850 -12.499 1.00 0.00 H new ATOM 0 HG SER A 120 -26.430 -7.267 -13.128 1.00 0.00 H new ATOM 1784 N ILE A 121 -26.972 -6.587 -9.309 1.00 0.00 N ATOM 1785 CA ILE A 121 -26.176 -5.754 -8.427 1.00 0.00 C ATOM 1786 C ILE A 121 -24.872 -5.364 -9.087 1.00 0.00 C ATOM 1787 O ILE A 121 -24.121 -6.201 -9.577 1.00 0.00 O ATOM 1788 CB ILE A 121 -25.884 -6.435 -7.074 1.00 0.00 C ATOM 1789 CG1 ILE A 121 -27.182 -6.637 -6.307 1.00 0.00 C ATOM 1790 CG2 ILE A 121 -24.902 -5.615 -6.244 1.00 0.00 C ATOM 1791 CD1 ILE A 121 -27.912 -5.348 -5.986 1.00 0.00 C ATOM 0 H ILE A 121 -26.580 -7.512 -9.486 1.00 0.00 H new ATOM 0 HA ILE A 121 -26.769 -4.861 -8.230 1.00 0.00 H new ATOM 0 HB ILE A 121 -25.427 -7.405 -7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -27.841 -7.281 -6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -26.965 -7.162 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -24.716 -6.120 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -23.964 -5.510 -6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -25.323 -4.628 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -28.827 -5.575 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -27.273 -4.710 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -28.162 -4.831 -6.912 1.00 0.00 H new ATOM 1803 N THR A 122 -24.625 -4.081 -9.075 1.00 0.00 N ATOM 1804 CA THR A 122 -23.408 -3.552 -9.629 1.00 0.00 C ATOM 1805 C THR A 122 -22.345 -3.481 -8.539 1.00 0.00 C ATOM 1806 O THR A 122 -22.624 -3.118 -7.399 1.00 0.00 O ATOM 1807 CB THR A 122 -23.624 -2.192 -10.297 1.00 0.00 C ATOM 1808 OG1 THR A 122 -24.954 -2.118 -10.824 1.00 0.00 O ATOM 1809 CG2 THR A 122 -22.630 -2.017 -11.427 1.00 0.00 C ATOM 0 H THR A 122 -25.255 -3.380 -8.685 1.00 0.00 H new ATOM 0 HA THR A 122 -23.064 -4.224 -10.415 1.00 0.00 H new ATOM 0 HB THR A 122 -23.481 -1.404 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 122 -25.587 -1.955 -10.094 1.00 0.00 H new ATOM 0 HG21 THR A 122 -22.785 -1.048 -11.901 1.00 0.00 H new ATOM 0 HG22 THR A 122 -21.616 -2.069 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A 122 -22.773 -2.808 -12.163 1.00 0.00 H new ATOM 1817 N VAL A 123 -21.114 -3.802 -8.915 1.00 0.00 N ATOM 1818 CA VAL A 123 -20.145 -4.265 -7.928 1.00 0.00 C ATOM 1819 C VAL A 123 -18.801 -3.627 -8.217 1.00 0.00 C ATOM 1820 O VAL A 123 -18.556 -3.162 -9.328 1.00 0.00 O ATOM 1821 CB VAL A 123 -20.017 -5.813 -7.842 1.00 0.00 C ATOM 1822 CG1 VAL A 123 -19.058 -6.234 -6.721 1.00 0.00 C ATOM 1823 CG2 VAL A 123 -21.379 -6.448 -7.610 1.00 0.00 C ATOM 0 H VAL A 123 -20.767 -3.753 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 123 -20.512 -3.956 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 123 -19.612 -6.161 -8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -18.992 -7.321 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -18.070 -5.816 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -19.431 -5.864 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -21.270 -7.531 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -21.800 -6.075 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -22.044 -6.193 -8.435 1.00 0.00 H new ATOM 1833 N ASP A 124 -17.959 -3.588 -7.221 1.00 0.00 N ATOM 1834 CA ASP A 124 -16.608 -3.108 -7.396 1.00 0.00 C ATOM 1835 C ASP A 124 -15.666 -3.824 -6.438 1.00 0.00 C ATOM 1836 O ASP A 124 -16.058 -4.225 -5.345 1.00 0.00 O ATOM 1837 CB ASP A 124 -16.539 -1.589 -7.228 1.00 0.00 C ATOM 1838 CG ASP A 124 -15.186 -1.021 -7.597 1.00 0.00 C ATOM 1839 OD1 ASP A 124 -14.444 -1.691 -8.342 1.00 0.00 O ATOM 1840 OD2 ASP A 124 -14.872 0.113 -7.173 1.00 0.00 O ATOM 0 H ASP A 124 -18.183 -3.884 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 124 -16.287 -3.333 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -17.305 -1.124 -7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -16.767 -1.331 -6.194 1.00 0.00 H new ATOM 1845 N PHE A 125 -14.435 -3.988 -6.878 1.00 0.00 N ATOM 1846 CA PHE A 125 -13.372 -4.578 -6.063 1.00 0.00 C ATOM 1847 C PHE A 125 -12.089 -3.761 -6.219 1.00 0.00 C ATOM 1848 O PHE A 125 -11.028 -4.117 -5.700 1.00 0.00 O ATOM 1849 CB PHE A 125 -13.124 -6.036 -6.455 1.00 0.00 C ATOM 1850 CG PHE A 125 -14.265 -6.963 -6.134 1.00 0.00 C ATOM 1851 CD1 PHE A 125 -14.497 -7.375 -4.832 1.00 0.00 C ATOM 1852 CD2 PHE A 125 -15.097 -7.428 -7.136 1.00 0.00 C ATOM 1853 CE1 PHE A 125 -15.539 -8.233 -4.535 1.00 0.00 C ATOM 1854 CE2 PHE A 125 -16.142 -8.286 -6.850 1.00 0.00 C ATOM 1855 CZ PHE A 125 -16.363 -8.689 -5.546 1.00 0.00 C ATOM 0 H PHE A 125 -14.134 -3.717 -7.814 1.00 0.00 H new ATOM 0 HA PHE A 125 -13.686 -4.560 -5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -12.922 -6.084 -7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -12.228 -6.390 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.855 -7.021 -4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.928 -7.116 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -15.709 -8.546 -3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -16.784 -8.641 -7.643 1.00 0.00 H new ATOM 0 HZ PHE A 125 -17.179 -9.359 -5.318 1.00 0.00 H new ATOM 1865 N ASN A 126 -12.212 -2.673 -6.972 1.00 0.00 N ATOM 1866 CA ASN A 126 -11.122 -1.737 -7.161 1.00 0.00 C ATOM 1867 C ASN A 126 -10.657 -1.183 -5.826 1.00 0.00 C ATOM 1868 O ASN A 126 -11.450 -0.801 -4.965 1.00 0.00 O ATOM 1869 CB ASN A 126 -11.517 -0.616 -8.119 1.00 0.00 C ATOM 1870 CG ASN A 126 -11.434 -1.067 -9.562 1.00 0.00 C ATOM 1871 OD1 ASN A 126 -10.400 -0.926 -10.207 1.00 0.00 O ATOM 1872 ND2 ASN A 126 -12.512 -1.623 -10.082 1.00 0.00 N ATOM 0 H ASN A 126 -13.069 -2.420 -7.465 1.00 0.00 H new ATOM 0 HA ASN A 126 -10.288 -2.274 -7.613 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.532 -0.287 -7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.863 0.242 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -12.501 -1.951 -11.048 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.356 -1.725 -9.518 1.00 0.00 H new ATOM 1964 N THR A 133 -0.572 8.720 -10.960 1.00 0.00 N ATOM 1965 CA THR A 133 0.843 8.983 -10.774 1.00 0.00 C ATOM 1966 C THR A 133 1.112 9.483 -9.364 1.00 0.00 C ATOM 1967 O THR A 133 0.710 10.589 -8.997 1.00 0.00 O ATOM 1968 CB THR A 133 1.344 10.028 -11.784 1.00 0.00 C ATOM 1969 OG1 THR A 133 0.895 9.687 -13.104 1.00 0.00 O ATOM 1970 CG2 THR A 133 2.862 10.112 -11.766 1.00 0.00 C ATOM 0 HA THR A 133 1.377 8.047 -10.935 1.00 0.00 H new ATOM 0 HB THR A 133 0.939 11.000 -11.501 1.00 0.00 H new ATOM 0 HG1 THR A 133 0.032 9.226 -13.047 1.00 0.00 H new ATOM 0 HG21 THR A 133 3.194 10.858 -12.488 1.00 0.00 H new ATOM 0 HG22 THR A 133 3.199 10.397 -10.769 1.00 0.00 H new ATOM 0 HG23 THR A 133 3.283 9.141 -12.027 1.00 0.00 H new ATOM 1978 N VAL A 134 1.803 8.672 -8.581 1.00 0.00 N ATOM 1979 CA VAL A 134 2.058 9.003 -7.195 1.00 0.00 C ATOM 1980 C VAL A 134 3.481 9.523 -6.994 1.00 0.00 C ATOM 1981 O VAL A 134 4.427 9.057 -7.630 1.00 0.00 O ATOM 1982 CB VAL A 134 1.794 7.794 -6.274 1.00 0.00 C ATOM 1983 CG1 VAL A 134 0.296 7.578 -6.094 1.00 0.00 C ATOM 1984 CG2 VAL A 134 2.437 6.535 -6.827 1.00 0.00 C ATOM 0 H VAL A 134 2.196 7.781 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 134 1.366 9.800 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 134 2.241 8.010 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.128 6.721 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -0.149 8.467 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -0.164 7.391 -7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 134 2.235 5.699 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 134 2.025 6.319 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.514 6.682 -6.909 1.00 0.00 H new ATOM 1994 N HIS A 135 3.608 10.498 -6.106 1.00 0.00 N ATOM 1995 CA HIS A 135 4.893 11.126 -5.812 1.00 0.00 C ATOM 1996 C HIS A 135 5.160 11.035 -4.320 1.00 0.00 C ATOM 1997 O HIS A 135 4.461 11.650 -3.519 1.00 0.00 O ATOM 1998 CB HIS A 135 4.912 12.599 -6.244 1.00 0.00 C ATOM 1999 CG HIS A 135 4.627 12.831 -7.697 1.00 0.00 C ATOM 2000 ND1 HIS A 135 5.613 13.015 -8.640 1.00 0.00 N ATOM 2001 CD2 HIS A 135 3.452 12.941 -8.360 1.00 0.00 C ATOM 2002 CE1 HIS A 135 5.059 13.230 -9.818 1.00 0.00 C ATOM 2003 NE2 HIS A 135 3.746 13.191 -9.679 1.00 0.00 N ATOM 0 H HIS A 135 2.828 10.877 -5.569 1.00 0.00 H new ATOM 0 HA HIS A 135 5.667 10.601 -6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 135 4.178 13.146 -5.652 1.00 0.00 H new ATOM 0 HB3 HIS A 135 5.889 13.020 -6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 135 2.465 12.849 -7.931 1.00 0.00 H new ATOM 0 HE1 HIS A 135 5.590 13.408 -10.741 1.00 0.00 H new ATOM 0 HE2 HIS A 135 3.064 13.324 -10.426 1.00 0.00 H new ATOM 2012 N PHE A 136 6.164 10.273 -3.941 1.00 0.00 N ATOM 2013 CA PHE A 136 6.443 10.049 -2.532 1.00 0.00 C ATOM 2014 C PHE A 136 7.817 10.575 -2.151 1.00 0.00 C ATOM 2015 O PHE A 136 8.810 10.317 -2.835 1.00 0.00 O ATOM 2016 CB PHE A 136 6.323 8.563 -2.174 1.00 0.00 C ATOM 2017 CG PHE A 136 6.386 7.642 -3.358 1.00 0.00 C ATOM 2018 CD1 PHE A 136 7.592 7.358 -3.970 1.00 0.00 C ATOM 2019 CD2 PHE A 136 5.232 7.058 -3.858 1.00 0.00 C ATOM 2020 CE1 PHE A 136 7.649 6.514 -5.058 1.00 0.00 C ATOM 2021 CE2 PHE A 136 5.285 6.211 -4.945 1.00 0.00 C ATOM 2022 CZ PHE A 136 6.495 5.939 -5.546 1.00 0.00 C ATOM 0 H PHE A 136 6.800 9.799 -4.582 1.00 0.00 H new ATOM 0 HA PHE A 136 5.697 10.601 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 136 7.122 8.301 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 136 5.381 8.401 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 136 8.500 7.803 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 136 4.281 7.269 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 136 8.598 6.303 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 136 4.379 5.761 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 136 6.539 5.277 -6.398 1.00 0.00 H new ATOM 2032 N ASP A 137 7.852 11.316 -1.057 1.00 0.00 N ATOM 2033 CA ASP A 137 9.099 11.850 -0.526 1.00 0.00 C ATOM 2034 C ASP A 137 9.563 10.955 0.612 1.00 0.00 C ATOM 2035 O ASP A 137 9.027 11.011 1.716 1.00 0.00 O ATOM 2036 CB ASP A 137 8.901 13.287 -0.037 1.00 0.00 C ATOM 2037 CG ASP A 137 10.209 13.980 0.281 1.00 0.00 C ATOM 2038 OD1 ASP A 137 10.717 13.821 1.411 1.00 0.00 O ATOM 2039 OD2 ASP A 137 10.734 14.699 -0.598 1.00 0.00 O ATOM 0 H ASP A 137 7.025 11.564 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 137 9.857 11.868 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.369 13.856 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 137 8.272 13.280 0.853 1.00 0.00 H new ATOM 2044 N ILE A 138 10.545 10.118 0.328 1.00 0.00 N ATOM 2045 CA ILE A 138 10.900 9.023 1.215 1.00 0.00 C ATOM 2046 C ILE A 138 12.164 9.306 2.025 1.00 0.00 C ATOM 2047 O ILE A 138 13.174 9.771 1.495 1.00 0.00 O ATOM 2048 CB ILE A 138 11.045 7.716 0.400 1.00 0.00 C ATOM 2049 CG1 ILE A 138 9.651 7.203 0.034 1.00 0.00 C ATOM 2050 CG2 ILE A 138 11.849 6.660 1.150 1.00 0.00 C ATOM 2051 CD1 ILE A 138 9.652 5.977 -0.848 1.00 0.00 C ATOM 0 H ILE A 138 11.115 10.176 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 138 10.093 8.911 1.939 1.00 0.00 H new ATOM 0 HB ILE A 138 11.603 7.930 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 138 9.108 6.976 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 138 9.105 7.999 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 138 11.925 5.760 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 138 12.848 7.043 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 138 11.349 6.421 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 138 8.625 5.680 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 138 10.164 6.202 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 138 10.168 5.163 -0.339 1.00 0.00 H new ATOM 2063 N GLU A 139 12.076 9.040 3.324 1.00 0.00 N ATOM 2064 CA GLU A 139 13.183 9.222 4.243 1.00 0.00 C ATOM 2065 C GLU A 139 13.429 7.923 4.989 1.00 0.00 C ATOM 2066 O GLU A 139 12.561 7.474 5.742 1.00 0.00 O ATOM 2067 CB GLU A 139 12.831 10.318 5.241 1.00 0.00 C ATOM 2068 CG GLU A 139 12.266 11.551 4.575 1.00 0.00 C ATOM 2069 CD GLU A 139 11.812 12.604 5.564 1.00 0.00 C ATOM 2070 OE1 GLU A 139 12.675 13.249 6.195 1.00 0.00 O ATOM 2071 OE2 GLU A 139 10.589 12.804 5.710 1.00 0.00 O ATOM 0 H GLU A 139 11.227 8.690 3.767 1.00 0.00 H new ATOM 0 HA GLU A 139 14.079 9.504 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 139 12.106 9.932 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.723 10.591 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.022 11.980 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.423 11.264 3.947 1.00 0.00 H new ATOM 2078 N VAL A 140 14.577 7.294 4.775 1.00 0.00 N ATOM 2079 CA VAL A 140 14.883 6.033 5.447 1.00 0.00 C ATOM 2080 C VAL A 140 15.138 6.258 6.935 1.00 0.00 C ATOM 2081 O VAL A 140 16.027 7.025 7.312 1.00 0.00 O ATOM 2082 CB VAL A 140 16.131 5.354 4.837 1.00 0.00 C ATOM 2083 CG1 VAL A 140 16.438 4.044 5.554 1.00 0.00 C ATOM 2084 CG2 VAL A 140 15.950 5.114 3.346 1.00 0.00 C ATOM 0 H VAL A 140 15.307 7.630 4.148 1.00 0.00 H new ATOM 0 HA VAL A 140 14.017 5.386 5.311 1.00 0.00 H new ATOM 0 HB VAL A 140 16.977 6.028 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 140 17.320 3.583 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 140 16.626 4.242 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 140 15.588 3.369 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 140 16.843 4.636 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 140 15.087 4.468 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 140 15.790 6.067 2.841 1.00 0.00 H new ATOM 2094 N LEU A 141 14.359 5.588 7.771 1.00 0.00 N ATOM 2095 CA LEU A 141 14.517 5.693 9.218 1.00 0.00 C ATOM 2096 C LEU A 141 15.274 4.487 9.759 1.00 0.00 C ATOM 2097 O LEU A 141 16.026 4.578 10.729 1.00 0.00 O ATOM 2098 CB LEU A 141 13.153 5.771 9.891 1.00 0.00 C ATOM 2099 CG LEU A 141 12.246 6.919 9.434 1.00 0.00 C ATOM 2100 CD1 LEU A 141 11.131 7.145 10.440 1.00 0.00 C ATOM 2101 CD2 LEU A 141 13.032 8.205 9.214 1.00 0.00 C ATOM 0 H LEU A 141 13.609 4.964 7.474 1.00 0.00 H new ATOM 0 HA LEU A 141 15.082 6.599 9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 141 12.630 4.830 9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 141 13.305 5.860 10.967 1.00 0.00 H new ATOM 0 HG LEU A 141 11.808 6.633 8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 141 10.496 7.963 10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.535 6.237 10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 141 11.561 7.397 11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 141 12.354 8.995 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 141 13.515 8.500 10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 141 13.790 8.042 8.448 1.00 0.00 H new ATOM 2113 N GLU A 142 15.048 3.368 9.109 1.00 0.00 N ATOM 2114 CA GLU A 142 15.649 2.094 9.492 1.00 0.00 C ATOM 2115 C GLU A 142 15.524 1.095 8.343 1.00 0.00 C ATOM 2116 O GLU A 142 14.614 1.201 7.531 1.00 0.00 O ATOM 2117 CB GLU A 142 14.979 1.569 10.764 1.00 0.00 C ATOM 2118 CG GLU A 142 15.637 0.329 11.326 1.00 0.00 C ATOM 2119 CD GLU A 142 15.179 0.009 12.734 1.00 0.00 C ATOM 2120 OE1 GLU A 142 14.143 -0.662 12.888 1.00 0.00 O ATOM 2121 OE2 GLU A 142 15.847 0.442 13.696 1.00 0.00 O ATOM 0 H GLU A 142 14.439 3.307 8.293 1.00 0.00 H new ATOM 0 HA GLU A 142 16.709 2.235 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 142 14.992 2.352 11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 142 13.933 1.350 10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 142 15.419 -0.519 10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 142 16.719 0.464 11.322 1.00 0.00 H new ATOM 2128 N ILE A 143 16.452 0.151 8.252 1.00 0.00 N ATOM 2129 CA ILE A 143 16.437 -0.829 7.170 1.00 0.00 C ATOM 2130 C ILE A 143 16.376 -2.249 7.722 1.00 0.00 C ATOM 2131 O ILE A 143 17.306 -2.712 8.385 1.00 0.00 O ATOM 2132 CB ILE A 143 17.676 -0.683 6.256 1.00 0.00 C ATOM 2133 CG1 ILE A 143 17.696 0.706 5.613 1.00 0.00 C ATOM 2134 CG2 ILE A 143 17.680 -1.764 5.181 1.00 0.00 C ATOM 2135 CD1 ILE A 143 19.011 1.059 4.952 1.00 0.00 C ATOM 0 H ILE A 143 17.223 0.042 8.911 1.00 0.00 H new ATOM 0 HA ILE A 143 15.543 -0.637 6.577 1.00 0.00 H new ATOM 0 HB ILE A 143 18.572 -0.802 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 143 16.901 0.763 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 143 17.473 1.452 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 143 18.559 -1.644 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 143 17.703 -2.746 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 143 16.780 -1.675 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 143 18.945 2.058 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 143 19.809 1.037 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 143 19.228 0.337 4.165 1.00 0.00 H new ATOM 2147 N ASP A 144 15.266 -2.921 7.462 1.00 0.00 N ATOM 2148 CA ASP A 144 15.080 -4.300 7.886 1.00 0.00 C ATOM 2149 C ASP A 144 15.813 -5.249 6.939 1.00 0.00 C ATOM 2150 O ASP A 144 15.612 -5.206 5.724 1.00 0.00 O ATOM 2151 CB ASP A 144 13.590 -4.646 7.943 1.00 0.00 C ATOM 2152 CG ASP A 144 13.335 -6.002 8.567 1.00 0.00 C ATOM 2153 OD1 ASP A 144 13.676 -6.186 9.756 1.00 0.00 O ATOM 2154 OD2 ASP A 144 12.770 -6.885 7.889 1.00 0.00 O ATOM 0 H ASP A 144 14.473 -2.529 6.954 1.00 0.00 H new ATOM 0 HA ASP A 144 15.498 -4.415 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 144 13.064 -3.881 8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 144 13.177 -4.630 6.934 1.00 0.00 H new ATOM 2159 N PRO A 145 16.675 -6.117 7.489 1.00 0.00 N ATOM 2160 CA PRO A 145 17.512 -7.025 6.695 1.00 0.00 C ATOM 2161 C PRO A 145 16.709 -8.078 5.937 1.00 0.00 C ATOM 2162 O PRO A 145 15.509 -8.255 6.165 1.00 0.00 O ATOM 2163 CB PRO A 145 18.393 -7.701 7.748 1.00 0.00 C ATOM 2164 CG PRO A 145 17.623 -7.595 9.015 1.00 0.00 C ATOM 2165 CD PRO A 145 16.897 -6.288 8.936 1.00 0.00 C ATOM 0 HA PRO A 145 18.060 -6.484 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 145 18.589 -8.742 7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 145 19.360 -7.206 7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 145 16.925 -8.426 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 145 18.286 -7.624 9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 145 15.957 -6.315 9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 145 17.488 -5.472 9.352 1.00 0.00 H new