USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 98 THR OG1 : rot 180:sc= -0.103 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -2.66 X(o=-2.8,f=-2.5!) USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 68 THR OG1 : rot 147:sc= 1.55 USER MOD Set 3.1: A 52 THR OG1 : rot 140:sc= 0.733 USER MOD Set 3.2: A 132 SER OG : rot 180:sc= 0.0693 USER MOD Set 4.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -4.62! C(o=-4.6!,f=-8.9!) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= 0.595 (180deg=-0.36!) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.0793 (180deg=-0.626) USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.892 USER MOD Single : A 19 ASN : amide:sc= -13.3! C(o=-13!,f=-14!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.708 K(o=0.71,f=-0.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 33 GLN : amide:sc= -2.4 K(o=-2.4,f=-4.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -108:sc= -0.123 (180deg=-0.48) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.332 F(o=-1.4,f=-0.33) USER MOD Single : A 39 SER OG : rot -20:sc= 0.605! USER MOD Single : A 41 ASN :FLIP amide:sc= -0.555 F(o=-3.9!,f=-0.56) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= -2.89! (180deg=-2.89!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 56 THR OG1 : rot 160:sc= -2.6! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 80:sc= 1.45 USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= -0.443 (180deg=-1.26!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 91 GLN : amide:sc= 0.401 K(o=0.4,f=-0.13) USER MOD Single : A 93 MET CE :methyl -122:sc= -0.475 (180deg=-5.73!) USER MOD Single : A 97 SER OG : rot -7:sc= 0.506 USER MOD Single : A 102 TYR OH : rot -53:sc= 0.248 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 140:sc= -3.96! USER MOD Single : A 121 ASN :FLIP amide:sc= -0.0195 F(o=-0.91,f=-0.02) USER MOD Single : A 123 THR OG1 : rot 150:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -121:sc= -8.58! (180deg=-9.15!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.534 20.953 10.249 1.00 1.00 N ATOM 104 CA GLU A 7 97.920 19.774 10.854 1.00 1.00 C ATOM 105 C GLU A 7 98.510 18.505 10.268 1.00 1.00 C ATOM 106 O GLU A 7 98.992 17.633 10.978 1.00 1.00 O ATOM 107 CB GLU A 7 96.419 19.774 10.612 1.00 1.00 C ATOM 108 CG GLU A 7 95.854 21.167 10.848 1.00 1.00 C ATOM 109 CD GLU A 7 94.332 21.132 10.772 1.00 1.00 C ATOM 110 OE1 GLU A 7 93.792 20.052 10.591 1.00 1.00 O ATOM 111 OE2 GLU A 7 93.728 22.185 10.886 1.00 1.00 O ATOM 0 HA GLU A 7 98.119 19.807 11.925 1.00 1.00 H new ATOM 0 HB2 GLU A 7 96.207 19.455 9.592 1.00 1.00 H new ATOM 0 HB3 GLU A 7 95.935 19.059 11.277 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.169 21.536 11.824 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.248 21.859 10.104 1.00 1.00 H new ATOM 118 N ASN A 8 98.479 18.427 8.964 1.00 1.00 N ATOM 119 CA ASN A 8 99.019 17.269 8.271 1.00 1.00 C ATOM 120 C ASN A 8 100.488 17.147 8.608 1.00 1.00 C ATOM 121 O ASN A 8 101.041 16.054 8.721 1.00 1.00 O ATOM 122 CB ASN A 8 98.826 17.460 6.777 1.00 1.00 C ATOM 123 CG ASN A 8 97.368 17.805 6.495 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.542 17.825 7.408 1.00 1.00 O ATOM 125 ND2 ASN A 8 97.004 18.067 5.278 1.00 1.00 N ATOM 0 H ASN A 8 98.088 19.145 8.354 1.00 1.00 H new ATOM 0 HA ASN A 8 98.507 16.357 8.579 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.476 18.256 6.414 1.00 1.00 H new ATOM 0 HB3 ASN A 8 99.106 16.551 6.244 1.00 1.00 H new ATOM 0 HD21 ASN A 8 96.030 18.291 5.074 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.692 18.049 4.525 1.00 1.00 H new ATOM 132 N LYS A 9 101.100 18.297 8.767 1.00 1.00 N ATOM 133 CA LYS A 9 102.513 18.382 9.104 1.00 1.00 C ATOM 134 C LYS A 9 102.792 17.843 10.511 1.00 1.00 C ATOM 135 O LYS A 9 103.682 17.021 10.697 1.00 1.00 O ATOM 136 CB LYS A 9 102.923 19.863 8.995 1.00 1.00 C ATOM 137 CG LYS A 9 104.106 20.227 9.896 1.00 1.00 C ATOM 138 CD LYS A 9 104.492 21.691 9.670 1.00 1.00 C ATOM 139 CE LYS A 9 105.703 22.051 10.542 1.00 1.00 C ATOM 140 NZ LYS A 9 106.953 21.615 9.857 1.00 1.00 N ATOM 0 H LYS A 9 100.639 19.202 8.668 1.00 1.00 H new ATOM 0 HA LYS A 9 103.096 17.768 8.418 1.00 1.00 H new ATOM 0 HB2 LYS A 9 103.180 20.087 7.960 1.00 1.00 H new ATOM 0 HB3 LYS A 9 102.070 20.490 9.255 1.00 1.00 H new ATOM 0 HG2 LYS A 9 103.843 20.067 10.942 1.00 1.00 H new ATOM 0 HG3 LYS A 9 104.955 19.579 9.678 1.00 1.00 H new ATOM 0 HD2 LYS A 9 104.728 21.856 8.619 1.00 1.00 H new ATOM 0 HD3 LYS A 9 103.651 22.340 9.914 1.00 1.00 H new ATOM 0 HE2 LYS A 9 105.729 23.126 10.721 1.00 1.00 H new ATOM 0 HE3 LYS A 9 105.621 21.567 11.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 107.722 22.277 10.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 107.211 20.661 10.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 106.799 21.602 8.829 1.00 1.00 H new ATOM 154 N VAL A 10 102.052 18.319 11.503 1.00 1.00 N ATOM 155 CA VAL A 10 102.296 17.881 12.872 1.00 1.00 C ATOM 156 C VAL A 10 101.948 16.418 13.068 1.00 1.00 C ATOM 157 O VAL A 10 102.737 15.661 13.633 1.00 1.00 O ATOM 158 CB VAL A 10 101.536 18.773 13.856 1.00 1.00 C ATOM 159 CG1 VAL A 10 101.638 18.197 15.253 1.00 1.00 C ATOM 160 CG2 VAL A 10 102.130 20.192 13.823 1.00 1.00 C ATOM 0 H VAL A 10 101.294 18.993 11.392 1.00 1.00 H new ATOM 0 HA VAL A 10 103.363 17.978 13.071 1.00 1.00 H new ATOM 0 HB VAL A 10 100.485 18.818 13.571 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.095 18.835 15.950 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.206 17.196 15.266 1.00 1.00 H new ATOM 0 HG13 VAL A 10 102.686 18.144 15.549 1.00 1.00 H new ATOM 0 HG21 VAL A 10 101.590 20.829 14.523 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.182 20.153 14.105 1.00 1.00 H new ATOM 0 HG23 VAL A 10 102.040 20.601 12.817 1.00 1.00 H new ATOM 164 N LYS A 11 100.794 16.012 12.587 1.00 1.00 N ATOM 165 CA LYS A 11 100.410 14.627 12.709 1.00 1.00 C ATOM 166 C LYS A 11 101.406 13.807 11.911 1.00 1.00 C ATOM 167 O LYS A 11 101.806 12.718 12.317 1.00 1.00 O ATOM 168 CB LYS A 11 98.985 14.410 12.195 1.00 1.00 C ATOM 169 CG LYS A 11 97.948 14.921 13.222 1.00 1.00 C ATOM 170 CD LYS A 11 97.754 16.435 13.078 1.00 1.00 C ATOM 171 CE LYS A 11 96.927 16.960 14.249 1.00 1.00 C ATOM 172 NZ LYS A 11 95.757 16.063 14.467 1.00 1.00 N ATOM 0 H LYS A 11 100.116 16.611 12.116 1.00 1.00 H new ATOM 0 HA LYS A 11 100.419 14.320 13.755 1.00 1.00 H new ATOM 0 HB2 LYS A 11 98.852 14.931 11.247 1.00 1.00 H new ATOM 0 HB3 LYS A 11 98.821 13.350 12.002 1.00 1.00 H new ATOM 0 HG2 LYS A 11 96.997 14.410 13.073 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.281 14.685 14.233 1.00 1.00 H new ATOM 0 HD2 LYS A 11 98.722 16.935 13.051 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.253 16.660 12.136 1.00 1.00 H new ATOM 0 HE2 LYS A 11 97.539 17.004 15.150 1.00 1.00 H new ATOM 0 HE3 LYS A 11 96.588 17.975 14.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.020 16.575 14.993 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.378 15.758 13.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.056 15.229 15.013 1.00 1.00 H new ATOM 186 N GLY A 12 101.801 14.363 10.773 1.00 1.00 N ATOM 187 CA GLY A 12 102.762 13.709 9.893 1.00 1.00 C ATOM 188 C GLY A 12 104.170 13.678 10.487 1.00 1.00 C ATOM 189 O GLY A 12 104.843 12.654 10.443 1.00 1.00 O ATOM 0 H GLY A 12 101.470 15.267 10.437 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.432 12.689 9.694 1.00 1.00 H new ATOM 0 HA3 GLY A 12 102.786 14.229 8.935 1.00 1.00 H new ATOM 193 N GLU A 13 104.624 14.792 11.056 1.00 1.00 N ATOM 194 CA GLU A 13 105.960 14.800 11.650 1.00 1.00 C ATOM 195 C GLU A 13 105.996 13.789 12.782 1.00 1.00 C ATOM 196 O GLU A 13 107.018 13.162 13.047 1.00 1.00 O ATOM 197 CB GLU A 13 106.333 16.187 12.192 1.00 1.00 C ATOM 198 CG GLU A 13 106.707 17.121 11.043 1.00 1.00 C ATOM 199 CD GLU A 13 107.035 18.504 11.594 1.00 1.00 C ATOM 200 OE1 GLU A 13 107.186 19.418 10.800 1.00 1.00 O ATOM 201 OE2 GLU A 13 107.132 18.627 12.803 1.00 1.00 O ATOM 0 H GLU A 13 104.110 15.671 11.119 1.00 1.00 H new ATOM 0 HA GLU A 13 106.683 14.541 10.876 1.00 1.00 H new ATOM 0 HB2 GLU A 13 105.495 16.604 12.751 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.169 16.101 12.887 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.564 16.722 10.501 1.00 1.00 H new ATOM 0 HG3 GLU A 13 105.883 17.188 10.332 1.00 1.00 H new ATOM 208 N ALA A 14 104.855 13.631 13.430 1.00 1.00 N ATOM 209 CA ALA A 14 104.726 12.692 14.522 1.00 1.00 C ATOM 210 C ALA A 14 104.686 11.277 13.977 1.00 1.00 C ATOM 211 O ALA A 14 105.188 10.332 14.586 1.00 1.00 O ATOM 212 CB ALA A 14 103.445 12.980 15.304 1.00 1.00 C ATOM 0 H ALA A 14 104.002 14.146 13.214 1.00 1.00 H new ATOM 0 HA ALA A 14 105.583 12.797 15.188 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.353 12.270 16.126 1.00 1.00 H new ATOM 0 HB2 ALA A 14 103.483 13.994 15.703 1.00 1.00 H new ATOM 0 HB3 ALA A 14 102.585 12.882 14.642 1.00 1.00 H new ATOM 218 N PHE A 15 104.062 11.163 12.819 1.00 1.00 N ATOM 219 CA PHE A 15 103.904 9.896 12.139 1.00 1.00 C ATOM 220 C PHE A 15 105.251 9.318 11.732 1.00 1.00 C ATOM 221 O PHE A 15 105.544 8.158 12.021 1.00 1.00 O ATOM 222 CB PHE A 15 103.045 10.163 10.920 1.00 1.00 C ATOM 223 CG PHE A 15 102.617 8.888 10.261 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.291 8.455 9.125 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.513 8.175 10.748 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.867 7.308 8.465 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.098 7.014 10.091 1.00 1.00 C ATOM 228 CZ PHE A 15 101.774 6.586 8.949 1.00 1.00 C ATOM 0 H PHE A 15 103.649 11.953 12.323 1.00 1.00 H new ATOM 0 HA PHE A 15 103.437 9.162 12.796 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.165 10.736 11.212 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.601 10.773 10.208 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.142 9.009 8.756 1.00 1.00 H new ATOM 0 HD2 PHE A 15 100.987 8.521 11.625 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.383 6.975 7.577 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.257 6.450 10.466 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.451 5.692 8.436 1.00 1.00 H new ATOM 238 N LEU A 16 106.074 10.130 11.075 1.00 1.00 N ATOM 239 CA LEU A 16 107.395 9.660 10.670 1.00 1.00 C ATOM 240 C LEU A 16 108.267 9.518 11.893 1.00 1.00 C ATOM 241 O LEU A 16 109.057 8.581 12.001 1.00 1.00 O ATOM 242 CB LEU A 16 108.067 10.602 9.658 1.00 1.00 C ATOM 243 CG LEU A 16 107.344 10.547 8.292 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.212 11.590 8.219 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.358 10.809 7.182 1.00 1.00 C ATOM 0 H LEU A 16 105.858 11.093 10.817 1.00 1.00 H new ATOM 0 HA LEU A 16 107.269 8.696 10.177 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.054 11.623 10.040 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.113 10.322 9.532 1.00 1.00 H new ATOM 0 HG LEU A 16 106.900 9.559 8.171 1.00 1.00 H new ATOM 0 HD11 LEU A 16 105.722 11.528 7.247 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.484 11.393 9.006 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.628 12.589 8.352 1.00 1.00 H new ATOM 0 HD21 LEU A 16 107.857 10.772 6.215 1.00 1.00 H new ATOM 0 HD22 LEU A 16 108.804 11.794 7.322 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.138 10.049 7.215 1.00 1.00 H new ATOM 257 N THR A 17 108.110 10.445 12.822 1.00 1.00 N ATOM 258 CA THR A 17 108.886 10.397 14.044 1.00 1.00 C ATOM 259 C THR A 17 108.560 9.125 14.800 1.00 1.00 C ATOM 260 O THR A 17 109.445 8.460 15.337 1.00 1.00 O ATOM 261 CB THR A 17 108.604 11.610 14.927 1.00 1.00 C ATOM 262 OG1 THR A 17 108.995 12.792 14.243 1.00 1.00 O ATOM 263 CG2 THR A 17 109.404 11.490 16.214 1.00 1.00 C ATOM 0 H THR A 17 107.461 11.229 12.754 1.00 1.00 H new ATOM 0 HA THR A 17 109.943 10.410 13.780 1.00 1.00 H new ATOM 0 HB THR A 17 107.540 11.655 15.157 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.372 12.965 13.506 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.206 12.354 16.848 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.113 10.580 16.740 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.468 11.449 15.979 1.00 1.00 H new ATOM 271 N GLU A 18 107.274 8.803 14.855 1.00 1.00 N ATOM 272 CA GLU A 18 106.821 7.623 15.556 1.00 1.00 C ATOM 273 C GLU A 18 107.120 6.343 14.781 1.00 1.00 C ATOM 274 O GLU A 18 107.566 5.357 15.366 1.00 1.00 O ATOM 275 CB GLU A 18 105.320 7.724 15.838 1.00 1.00 C ATOM 276 CG GLU A 18 104.840 6.493 16.613 1.00 1.00 C ATOM 277 CD GLU A 18 103.353 6.623 16.923 1.00 1.00 C ATOM 278 OE1 GLU A 18 102.725 7.498 16.348 1.00 1.00 O ATOM 279 OE2 GLU A 18 102.863 5.846 17.724 1.00 1.00 O ATOM 0 H GLU A 18 106.530 9.348 14.419 1.00 1.00 H new ATOM 0 HA GLU A 18 107.369 7.572 16.497 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.111 8.627 16.411 1.00 1.00 H new ATOM 0 HB3 GLU A 18 104.772 7.808 14.900 1.00 1.00 H new ATOM 0 HG2 GLU A 18 105.021 5.591 16.028 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.406 6.392 17.539 1.00 1.00 H new ATOM 286 N ASN A 19 106.830 6.343 13.482 1.00 1.00 N ATOM 287 CA ASN A 19 107.035 5.139 12.675 1.00 1.00 C ATOM 288 C ASN A 19 108.486 4.693 12.627 1.00 1.00 C ATOM 289 O ASN A 19 108.772 3.503 12.761 1.00 1.00 O ATOM 290 CB ASN A 19 106.546 5.372 11.253 1.00 1.00 C ATOM 291 CG ASN A 19 106.746 4.109 10.437 1.00 1.00 C ATOM 292 OD1 ASN A 19 106.336 3.022 10.849 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.365 4.188 9.305 1.00 1.00 N ATOM 0 H ASN A 19 106.460 7.145 12.972 1.00 1.00 H new ATOM 0 HA ASN A 19 106.461 4.347 13.157 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.492 5.650 11.260 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.091 6.200 10.801 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.517 3.348 8.747 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.702 5.091 8.970 1.00 1.00 H new ATOM 300 N LYS A 20 109.396 5.620 12.431 1.00 1.00 N ATOM 301 CA LYS A 20 110.803 5.240 12.365 1.00 1.00 C ATOM 302 C LYS A 20 111.212 4.574 13.673 1.00 1.00 C ATOM 303 O LYS A 20 112.091 3.713 13.700 1.00 1.00 O ATOM 304 CB LYS A 20 111.695 6.458 12.120 1.00 1.00 C ATOM 305 CG LYS A 20 111.542 7.430 13.285 1.00 1.00 C ATOM 306 CD LYS A 20 112.165 8.783 12.930 1.00 1.00 C ATOM 307 CE LYS A 20 113.673 8.639 12.743 1.00 1.00 C ATOM 308 NZ LYS A 20 114.301 9.988 12.820 1.00 1.00 N ATOM 0 H LYS A 20 109.204 6.615 12.317 1.00 1.00 H new ATOM 0 HA LYS A 20 110.929 4.547 11.533 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.736 6.149 12.022 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.418 6.945 11.185 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.486 7.559 13.524 1.00 1.00 H new ATOM 0 HG3 LYS A 20 112.023 7.022 14.174 1.00 1.00 H new ATOM 0 HD2 LYS A 20 111.714 9.170 12.017 1.00 1.00 H new ATOM 0 HD3 LYS A 20 111.957 9.505 13.719 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.087 7.986 13.511 1.00 1.00 H new ATOM 0 HE3 LYS A 20 113.891 8.176 11.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.330 9.900 12.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 113.911 10.596 12.072 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 114.101 10.411 13.749 1.00 1.00 H new ATOM 322 N ASN A 21 110.563 4.988 14.758 1.00 1.00 N ATOM 323 CA ASN A 21 110.859 4.441 16.079 1.00 1.00 C ATOM 324 C ASN A 21 110.162 3.104 16.307 1.00 1.00 C ATOM 325 O ASN A 21 110.648 2.269 17.069 1.00 1.00 O ATOM 326 CB ASN A 21 110.431 5.446 17.158 1.00 1.00 C ATOM 327 CG ASN A 21 111.495 6.527 17.328 1.00 1.00 C ATOM 328 OD1 ASN A 21 112.401 6.386 18.149 1.00 1.00 O ATOM 329 ND2 ASN A 21 111.439 7.601 16.588 1.00 1.00 N ATOM 0 H ASN A 21 109.831 5.698 14.749 1.00 1.00 H new ATOM 0 HA ASN A 21 111.933 4.267 16.139 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.480 5.902 16.883 1.00 1.00 H new ATOM 0 HB3 ASN A 21 110.274 4.929 18.105 1.00 1.00 H new ATOM 0 HD21 ASN A 21 112.148 8.327 16.689 1.00 1.00 H new ATOM 0 HD22 ASN A 21 110.686 7.714 15.909 1.00 1.00 H new ATOM 336 N LYS A 22 109.016 2.913 15.675 1.00 1.00 N ATOM 337 CA LYS A 22 108.266 1.683 15.856 1.00 1.00 C ATOM 338 C LYS A 22 109.100 0.453 15.433 1.00 1.00 C ATOM 339 O LYS A 22 109.745 0.489 14.386 1.00 1.00 O ATOM 340 CB LYS A 22 106.982 1.756 15.023 1.00 1.00 C ATOM 341 CG LYS A 22 105.908 2.648 15.708 1.00 1.00 C ATOM 342 CD LYS A 22 104.497 2.092 15.441 1.00 1.00 C ATOM 343 CE LYS A 22 104.152 2.246 13.959 1.00 1.00 C ATOM 344 NZ LYS A 22 103.075 1.282 13.597 1.00 1.00 N ATOM 0 H LYS A 22 108.589 3.586 15.039 1.00 1.00 H new ATOM 0 HA LYS A 22 108.021 1.572 16.912 1.00 1.00 H new ATOM 0 HB2 LYS A 22 107.211 2.154 14.034 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.584 0.752 14.878 1.00 1.00 H new ATOM 0 HG2 LYS A 22 106.092 2.690 16.782 1.00 1.00 H new ATOM 0 HG3 LYS A 22 105.981 3.669 15.332 1.00 1.00 H new ATOM 0 HD2 LYS A 22 104.450 1.041 15.728 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.766 2.622 16.051 1.00 1.00 H new ATOM 0 HE2 LYS A 22 103.826 3.266 13.755 1.00 1.00 H new ATOM 0 HE3 LYS A 22 105.037 2.066 13.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.840 1.386 12.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 103.403 0.312 13.777 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 102.230 1.474 14.171 1.00 1.00 H new ATOM 358 N PRO A 23 109.098 -0.640 16.196 1.00 1.00 N ATOM 359 CA PRO A 23 109.872 -1.866 15.818 1.00 1.00 C ATOM 360 C PRO A 23 109.508 -2.392 14.429 1.00 1.00 C ATOM 361 O PRO A 23 108.362 -2.292 13.989 1.00 1.00 O ATOM 362 CB PRO A 23 109.508 -2.907 16.890 1.00 1.00 C ATOM 363 CG PRO A 23 109.013 -2.116 18.053 1.00 1.00 C ATOM 364 CD PRO A 23 108.392 -0.835 17.486 1.00 1.00 C ATOM 0 HA PRO A 23 110.939 -1.648 15.774 1.00 1.00 H new ATOM 0 HB2 PRO A 23 108.744 -3.594 16.528 1.00 1.00 H new ATOM 0 HB3 PRO A 23 110.374 -3.509 17.164 1.00 1.00 H new ATOM 0 HG2 PRO A 23 108.276 -2.684 18.621 1.00 1.00 H new ATOM 0 HG3 PRO A 23 109.829 -1.880 18.736 1.00 1.00 H new ATOM 0 HD2 PRO A 23 107.317 -0.942 17.341 1.00 1.00 H new ATOM 0 HD3 PRO A 23 108.541 0.012 18.156 1.00 1.00 H new ATOM 372 N GLY A 24 110.500 -2.968 13.764 1.00 1.00 N ATOM 373 CA GLY A 24 110.318 -3.536 12.434 1.00 1.00 C ATOM 374 C GLY A 24 110.506 -2.493 11.356 1.00 1.00 C ATOM 375 O GLY A 24 110.763 -2.829 10.206 1.00 1.00 O ATOM 0 H GLY A 24 111.449 -3.055 14.128 1.00 1.00 H new ATOM 0 HA2 GLY A 24 111.029 -4.348 12.284 1.00 1.00 H new ATOM 0 HA3 GLY A 24 109.320 -3.967 12.355 1.00 1.00 H new ATOM 379 N VAL A 25 110.384 -1.228 11.727 1.00 1.00 N ATOM 380 CA VAL A 25 110.538 -0.148 10.763 1.00 1.00 C ATOM 381 C VAL A 25 112.000 0.274 10.653 1.00 1.00 C ATOM 382 O VAL A 25 112.673 0.501 11.659 1.00 1.00 O ATOM 383 CB VAL A 25 109.720 1.077 11.205 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.790 2.182 10.149 1.00 1.00 C ATOM 385 CG2 VAL A 25 108.262 0.697 11.433 1.00 1.00 C ATOM 0 H VAL A 25 110.181 -0.925 12.679 1.00 1.00 H new ATOM 0 HA VAL A 25 110.185 -0.512 9.798 1.00 1.00 H new ATOM 0 HB VAL A 25 110.148 1.442 12.139 1.00 1.00 H new ATOM 0 HG11 VAL A 25 109.205 3.040 10.481 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.828 2.484 10.006 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.387 1.811 9.207 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.701 1.578 11.745 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.839 0.306 10.508 1.00 1.00 H new ATOM 0 HG23 VAL A 25 108.202 -0.065 12.210 1.00 1.00 H new ATOM 389 N VAL A 26 112.461 0.436 9.420 1.00 1.00 N ATOM 390 CA VAL A 26 113.829 0.899 9.163 1.00 1.00 C ATOM 391 C VAL A 26 113.747 2.212 8.405 1.00 1.00 C ATOM 392 O VAL A 26 113.141 2.271 7.339 1.00 1.00 O ATOM 393 CB VAL A 26 114.590 -0.134 8.325 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.964 0.398 7.949 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.737 -1.422 9.115 1.00 1.00 C ATOM 0 H VAL A 26 111.913 0.255 8.579 1.00 1.00 H new ATOM 0 HA VAL A 26 114.359 1.034 10.106 1.00 1.00 H new ATOM 0 HB VAL A 26 114.029 -0.330 7.411 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.492 -0.347 7.354 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.853 1.314 7.369 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.533 0.609 8.855 1.00 1.00 H new ATOM 0 HG21 VAL A 26 115.278 -2.156 8.518 1.00 1.00 H new ATOM 0 HG22 VAL A 26 115.289 -1.224 10.034 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.750 -1.812 9.361 1.00 1.00 H new ATOM 399 N VAL A 27 114.342 3.271 8.960 1.00 1.00 N ATOM 400 CA VAL A 27 114.295 4.588 8.321 1.00 1.00 C ATOM 401 C VAL A 27 115.519 4.842 7.466 1.00 1.00 C ATOM 402 O VAL A 27 116.625 4.395 7.770 1.00 1.00 O ATOM 403 CB VAL A 27 114.111 5.696 9.376 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.216 5.601 10.397 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.109 7.096 8.744 1.00 1.00 C ATOM 0 H VAL A 27 114.856 3.244 9.840 1.00 1.00 H new ATOM 0 HA VAL A 27 113.432 4.603 7.655 1.00 1.00 H new ATOM 0 HB VAL A 27 113.142 5.549 9.853 1.00 1.00 H new ATOM 0 HG11 VAL A 27 115.089 6.384 11.145 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.180 4.626 10.883 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.180 5.725 9.903 1.00 1.00 H new ATOM 0 HG21 VAL A 27 113.977 7.847 9.523 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.057 7.266 8.233 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.292 7.170 8.026 1.00 1.00 H new ATOM 409 N LEU A 28 115.287 5.572 6.374 1.00 1.00 N ATOM 410 CA LEU A 28 116.353 5.904 5.425 1.00 1.00 C ATOM 411 C LEU A 28 116.609 7.410 5.409 1.00 1.00 C ATOM 412 O LEU A 28 115.767 8.184 5.868 1.00 1.00 O ATOM 413 CB LEU A 28 115.953 5.449 4.018 1.00 1.00 C ATOM 414 CG LEU A 28 115.682 3.947 3.989 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.101 3.578 2.623 1.00 1.00 C ATOM 416 CD2 LEU A 28 116.990 3.178 4.201 1.00 1.00 C ATOM 0 H LEU A 28 114.371 5.945 6.124 1.00 1.00 H new ATOM 0 HA LEU A 28 117.263 5.392 5.737 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.063 5.990 3.696 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.747 5.693 3.313 1.00 1.00 H new ATOM 0 HG LEU A 28 114.980 3.688 4.782 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.903 2.507 2.589 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.171 4.124 2.463 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.814 3.840 1.841 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.790 2.107 4.179 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.694 3.432 3.408 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.418 3.448 5.166 1.00 1.00 H new ATOM 428 N PRO A 29 117.744 7.851 4.898 1.00 1.00 N ATOM 429 CA PRO A 29 118.068 9.300 4.852 1.00 1.00 C ATOM 430 C PRO A 29 117.025 10.075 4.055 1.00 1.00 C ATOM 431 O PRO A 29 116.754 11.244 4.330 1.00 1.00 O ATOM 432 CB PRO A 29 119.447 9.367 4.186 1.00 1.00 C ATOM 433 CG PRO A 29 120.020 8.001 4.359 1.00 1.00 C ATOM 434 CD PRO A 29 118.834 7.051 4.309 1.00 1.00 C ATOM 0 HA PRO A 29 118.071 9.753 5.843 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.365 9.631 3.132 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.077 10.123 4.656 1.00 1.00 H new ATOM 0 HG2 PRO A 29 120.737 7.774 3.570 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.551 7.916 5.307 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.604 6.745 3.288 1.00 1.00 H new ATOM 0 HD3 PRO A 29 119.021 6.141 4.880 1.00 1.00 H new ATOM 442 N SER A 30 116.446 9.404 3.067 1.00 1.00 N ATOM 443 CA SER A 30 115.432 10.030 2.231 1.00 1.00 C ATOM 444 C SER A 30 114.194 10.309 3.064 1.00 1.00 C ATOM 445 O SER A 30 113.311 11.066 2.664 1.00 1.00 O ATOM 446 CB SER A 30 115.077 9.102 1.063 1.00 1.00 C ATOM 447 OG SER A 30 116.262 8.473 0.593 1.00 1.00 O ATOM 0 H SER A 30 116.659 8.436 2.827 1.00 1.00 H new ATOM 0 HA SER A 30 115.818 10.968 1.833 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.355 8.351 1.385 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.609 9.671 0.260 1.00 1.00 H new ATOM 0 HG SER A 30 116.042 7.877 -0.153 1.00 1.00 H new ATOM 453 N GLY A 31 114.143 9.679 4.230 1.00 1.00 N ATOM 454 CA GLY A 31 113.015 9.838 5.135 1.00 1.00 C ATOM 455 C GLY A 31 112.018 8.729 4.895 1.00 1.00 C ATOM 456 O GLY A 31 110.993 8.641 5.569 1.00 1.00 O ATOM 0 H GLY A 31 114.872 9.052 4.571 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.359 9.815 6.169 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.542 10.807 4.977 1.00 1.00 H new ATOM 460 N LEU A 32 112.331 7.862 3.937 1.00 1.00 N ATOM 461 CA LEU A 32 111.450 6.752 3.630 1.00 1.00 C ATOM 462 C LEU A 32 111.692 5.657 4.645 1.00 1.00 C ATOM 463 O LEU A 32 112.838 5.335 4.960 1.00 1.00 O ATOM 464 CB LEU A 32 111.717 6.238 2.195 1.00 1.00 C ATOM 465 CG LEU A 32 110.727 5.131 1.726 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.139 3.752 2.220 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.305 5.433 2.176 1.00 1.00 C ATOM 0 H LEU A 32 113.177 7.909 3.369 1.00 1.00 H new ATOM 0 HA LEU A 32 110.410 7.074 3.679 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.662 7.078 1.503 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.734 5.848 2.143 1.00 1.00 H new ATOM 0 HG LEU A 32 110.760 5.127 0.637 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.421 3.011 1.870 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.129 3.508 1.835 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.163 3.748 3.310 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.639 4.641 1.833 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.272 5.489 3.264 1.00 1.00 H new ATOM 0 HD23 LEU A 32 108.984 6.385 1.754 1.00 1.00 H new ATOM 479 N GLN A 33 110.611 5.104 5.169 1.00 1.00 N ATOM 480 CA GLN A 33 110.693 4.055 6.170 1.00 1.00 C ATOM 481 C GLN A 33 109.960 2.818 5.704 1.00 1.00 C ATOM 482 O GLN A 33 108.876 2.920 5.144 1.00 1.00 O ATOM 483 CB GLN A 33 110.049 4.567 7.457 1.00 1.00 C ATOM 484 CG GLN A 33 110.871 5.727 8.042 1.00 1.00 C ATOM 485 CD GLN A 33 110.231 7.074 7.757 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.355 7.186 6.899 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.632 8.109 8.423 1.00 1.00 N ATOM 0 H GLN A 33 109.659 5.367 4.915 1.00 1.00 H new ATOM 0 HA GLN A 33 111.738 3.795 6.338 1.00 1.00 H new ATOM 0 HB2 GLN A 33 109.031 4.900 7.254 1.00 1.00 H new ATOM 0 HB3 GLN A 33 109.981 3.758 8.184 1.00 1.00 H new ATOM 0 HG2 GLN A 33 110.972 5.594 9.119 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.877 5.707 7.623 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.358 8.009 9.132 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.222 9.024 8.238 1.00 1.00 H new ATOM 496 N TYR A 34 110.545 1.644 5.950 1.00 1.00 N ATOM 497 CA TYR A 34 109.901 0.393 5.560 1.00 1.00 C ATOM 498 C TYR A 34 109.945 -0.608 6.681 1.00 1.00 C ATOM 499 O TYR A 34 110.882 -0.650 7.479 1.00 1.00 O ATOM 500 CB TYR A 34 110.522 -0.207 4.301 1.00 1.00 C ATOM 501 CG TYR A 34 111.962 -0.565 4.548 1.00 1.00 C ATOM 502 CD1 TYR A 34 112.268 -1.749 5.218 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.988 0.269 4.088 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.606 -2.107 5.434 1.00 1.00 C ATOM 505 CE2 TYR A 34 114.324 -0.084 4.307 1.00 1.00 C ATOM 506 CZ TYR A 34 114.634 -1.273 4.978 1.00 1.00 C ATOM 507 OH TYR A 34 115.953 -1.623 5.181 1.00 1.00 O ATOM 0 H TYR A 34 111.449 1.535 6.410 1.00 1.00 H new ATOM 0 HA TYR A 34 108.861 0.632 5.337 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.966 -1.095 4.001 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.453 0.505 3.479 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.474 -2.390 5.571 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.749 1.183 3.565 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.844 -3.025 5.951 1.00 1.00 H new ATOM 0 HE2 TYR A 34 115.117 0.561 3.958 1.00 1.00 H new ATOM 0 HH TYR A 34 116.537 -0.934 4.801 1.00 1.00 H new ATOM 517 N LYS A 35 108.898 -1.415 6.728 1.00 1.00 N ATOM 518 CA LYS A 35 108.762 -2.435 7.737 1.00 1.00 C ATOM 519 C LYS A 35 108.335 -3.725 7.099 1.00 1.00 C ATOM 520 O LYS A 35 107.473 -3.744 6.224 1.00 1.00 O ATOM 521 CB LYS A 35 107.730 -2.012 8.774 1.00 1.00 C ATOM 522 CG LYS A 35 107.670 -3.026 9.922 1.00 1.00 C ATOM 523 CD LYS A 35 106.389 -3.851 9.841 1.00 1.00 C ATOM 524 CE LYS A 35 106.388 -4.890 10.957 1.00 1.00 C ATOM 525 NZ LYS A 35 106.377 -4.210 12.283 1.00 1.00 N ATOM 0 H LYS A 35 108.123 -1.376 6.066 1.00 1.00 H new ATOM 0 HA LYS A 35 109.724 -2.575 8.230 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.983 -1.027 9.165 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.750 -1.927 8.305 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.537 -3.685 9.878 1.00 1.00 H new ATOM 0 HG3 LYS A 35 107.714 -2.504 10.878 1.00 1.00 H new ATOM 0 HD2 LYS A 35 105.518 -3.202 9.932 1.00 1.00 H new ATOM 0 HD3 LYS A 35 106.320 -4.343 8.871 1.00 1.00 H new ATOM 0 HE2 LYS A 35 105.516 -5.537 10.863 1.00 1.00 H new ATOM 0 HE3 LYS A 35 107.268 -5.528 10.873 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 107.307 -4.316 12.735 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 106.169 -3.199 12.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 105.647 -4.639 12.887 1.00 1.00 H new ATOM 539 N VAL A 36 108.960 -4.803 7.526 1.00 1.00 N ATOM 540 CA VAL A 36 108.655 -6.116 6.973 1.00 1.00 C ATOM 541 C VAL A 36 107.588 -6.836 7.792 1.00 1.00 C ATOM 542 O VAL A 36 107.826 -7.334 8.888 1.00 1.00 O ATOM 543 CB VAL A 36 109.943 -6.941 6.871 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.668 -6.985 8.213 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.611 -8.365 6.408 1.00 1.00 C ATOM 0 H VAL A 36 109.679 -4.802 8.250 1.00 1.00 H new ATOM 0 HA VAL A 36 108.243 -5.988 5.972 1.00 1.00 H new ATOM 0 HB VAL A 36 110.601 -6.467 6.142 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.579 -7.576 8.115 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.924 -5.971 8.521 1.00 1.00 H new ATOM 0 HG13 VAL A 36 110.019 -7.439 8.962 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.529 -8.948 6.337 1.00 1.00 H new ATOM 0 HG22 VAL A 36 108.938 -8.834 7.126 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.129 -8.327 5.431 1.00 1.00 H new ATOM 549 N ILE A 37 106.394 -6.886 7.234 1.00 1.00 N ATOM 550 CA ILE A 37 105.285 -7.550 7.894 1.00 1.00 C ATOM 551 C ILE A 37 105.522 -9.044 7.879 1.00 1.00 C ATOM 552 O ILE A 37 105.277 -9.752 8.856 1.00 1.00 O ATOM 553 CB ILE A 37 103.982 -7.246 7.148 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.879 -5.750 6.821 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.808 -7.667 8.011 1.00 1.00 C ATOM 556 CD1 ILE A 37 103.779 -4.887 8.073 1.00 1.00 C ATOM 0 H ILE A 37 106.167 -6.476 6.328 1.00 1.00 H new ATOM 0 HA ILE A 37 105.209 -7.192 8.921 1.00 1.00 H new ATOM 0 HB ILE A 37 103.972 -7.801 6.210 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.752 -5.446 6.243 1.00 1.00 H new ATOM 0 HG13 ILE A 37 103.005 -5.577 6.193 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.876 -7.454 7.487 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.872 -8.735 8.217 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.830 -7.115 8.950 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.708 -3.838 7.787 1.00 1.00 H new ATOM 0 HD12 ILE A 37 102.892 -5.169 8.639 1.00 1.00 H new ATOM 0 HD13 ILE A 37 104.665 -5.036 8.689 1.00 1.00 H new ATOM 563 N ASN A 38 105.988 -9.503 6.730 1.00 1.00 N ATOM 564 CA ASN A 38 106.260 -10.907 6.500 1.00 1.00 C ATOM 565 C ASN A 38 107.500 -11.037 5.638 1.00 1.00 C ATOM 566 O ASN A 38 107.555 -10.475 4.550 1.00 1.00 O ATOM 567 CB ASN A 38 105.076 -11.524 5.768 1.00 1.00 C ATOM 568 CG ASN A 38 103.855 -11.570 6.681 1.00 1.00 C ATOM 569 OD1 ASN A 38 102.983 -10.599 6.643 1.00 1.00 O flip ATOM 570 ND2 ASN A 38 103.694 -12.516 7.451 1.00 1.00 N flip ATOM 0 H ASN A 38 106.189 -8.907 5.927 1.00 1.00 H new ATOM 0 HA ASN A 38 106.417 -11.417 7.450 1.00 1.00 H new ATOM 0 HB2 ASN A 38 104.849 -10.942 4.875 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.329 -12.531 5.437 1.00 1.00 H new ATOM 0 HD21 ASN A 38 104.377 -13.273 7.478 1.00 1.00 H new ATOM 0 HD22 ASN A 38 102.878 -12.543 8.062 1.00 1.00 H new ATOM 577 N SER A 39 108.494 -11.778 6.111 1.00 1.00 N ATOM 578 CA SER A 39 109.714 -11.964 5.337 1.00 1.00 C ATOM 579 C SER A 39 109.559 -13.165 4.424 1.00 1.00 C ATOM 580 O SER A 39 109.227 -14.263 4.872 1.00 1.00 O ATOM 581 CB SER A 39 110.916 -12.160 6.257 1.00 1.00 C ATOM 582 OG SER A 39 111.109 -13.549 6.497 1.00 1.00 O ATOM 0 H SER A 39 108.481 -12.254 7.013 1.00 1.00 H new ATOM 0 HA SER A 39 109.886 -11.070 4.737 1.00 1.00 H new ATOM 0 HB2 SER A 39 111.809 -11.731 5.802 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.755 -11.636 7.199 1.00 1.00 H new ATOM 0 HG SER A 39 110.282 -14.034 6.295 1.00 1.00 H new ATOM 588 N GLY A 40 109.791 -12.932 3.139 1.00 1.00 N ATOM 589 CA GLY A 40 109.676 -13.970 2.127 1.00 1.00 C ATOM 590 C GLY A 40 111.037 -14.285 1.538 1.00 1.00 C ATOM 591 O GLY A 40 111.316 -15.433 1.192 1.00 1.00 O ATOM 0 H GLY A 40 110.063 -12.020 2.771 1.00 1.00 H new ATOM 0 HA2 GLY A 40 109.246 -14.870 2.567 1.00 1.00 H new ATOM 0 HA3 GLY A 40 108.998 -13.645 1.338 1.00 1.00 H new ATOM 595 N ASN A 41 111.882 -13.257 1.441 1.00 1.00 N ATOM 596 CA ASN A 41 113.228 -13.416 0.914 1.00 1.00 C ATOM 597 C ASN A 41 113.209 -13.981 -0.502 1.00 1.00 C ATOM 598 O ASN A 41 114.114 -14.720 -0.890 1.00 1.00 O ATOM 599 CB ASN A 41 114.012 -14.345 1.835 1.00 1.00 C ATOM 600 CG ASN A 41 114.122 -13.709 3.217 1.00 1.00 C ATOM 601 OD1 ASN A 41 113.411 -12.644 3.499 1.00 1.00 O flip ATOM 602 ND2 ASN A 41 114.869 -14.194 4.066 1.00 1.00 N flip ATOM 0 H ASN A 41 111.652 -12.304 1.723 1.00 1.00 H new ATOM 0 HA ASN A 41 113.705 -12.437 0.872 1.00 1.00 H new ATOM 0 HB2 ASN A 41 113.513 -15.312 1.906 1.00 1.00 H new ATOM 0 HB3 ASN A 41 115.006 -14.528 1.426 1.00 1.00 H new ATOM 0 HD21 ASN A 41 115.422 -15.023 3.846 1.00 1.00 H new ATOM 0 HD22 ASN A 41 114.936 -13.768 4.990 1.00 1.00 H new ATOM 609 N GLY A 42 112.179 -13.629 -1.275 1.00 1.00 N ATOM 610 CA GLY A 42 112.061 -14.101 -2.648 1.00 1.00 C ATOM 611 C GLY A 42 112.706 -13.145 -3.633 1.00 1.00 C ATOM 612 O GLY A 42 113.513 -12.288 -3.271 1.00 1.00 O ATOM 0 H GLY A 42 111.419 -13.020 -0.971 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.528 -15.082 -2.736 1.00 1.00 H new ATOM 0 HA3 GLY A 42 111.008 -14.225 -2.900 1.00 1.00 H new ATOM 616 N VAL A 43 112.305 -13.298 -4.880 1.00 1.00 N ATOM 617 CA VAL A 43 112.789 -12.459 -5.959 1.00 1.00 C ATOM 618 C VAL A 43 112.246 -11.046 -5.772 1.00 1.00 C ATOM 619 O VAL A 43 111.501 -10.794 -4.836 1.00 1.00 O ATOM 620 CB VAL A 43 112.376 -13.034 -7.325 1.00 1.00 C ATOM 621 CG1 VAL A 43 112.877 -14.468 -7.439 1.00 1.00 C ATOM 622 CG2 VAL A 43 110.858 -13.017 -7.502 1.00 1.00 C ATOM 0 H VAL A 43 111.634 -14.008 -5.174 1.00 1.00 H new ATOM 0 HA VAL A 43 113.878 -12.429 -5.935 1.00 1.00 H new ATOM 0 HB VAL A 43 112.818 -12.412 -8.104 1.00 1.00 H new ATOM 0 HG11 VAL A 43 112.586 -14.879 -8.406 1.00 1.00 H new ATOM 0 HG12 VAL A 43 113.963 -14.482 -7.351 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.440 -15.070 -6.642 1.00 1.00 H new ATOM 0 HG21 VAL A 43 110.601 -13.430 -8.477 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.394 -13.618 -6.720 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.495 -11.991 -7.435 1.00 1.00 H new ATOM 626 N LYS A 44 112.591 -10.150 -6.680 1.00 1.00 N ATOM 627 CA LYS A 44 112.112 -8.756 -6.611 1.00 1.00 C ATOM 628 C LYS A 44 112.699 -7.919 -7.754 1.00 1.00 C ATOM 629 O LYS A 44 113.690 -8.303 -8.376 1.00 1.00 O ATOM 630 CB LYS A 44 112.412 -8.091 -5.226 1.00 1.00 C ATOM 631 CG LYS A 44 113.908 -7.738 -5.015 1.00 1.00 C ATOM 632 CD LYS A 44 114.652 -8.909 -4.327 1.00 1.00 C ATOM 633 CE LYS A 44 114.647 -8.751 -2.797 1.00 1.00 C ATOM 634 NZ LYS A 44 114.792 -10.102 -2.190 1.00 1.00 N ATOM 0 H LYS A 44 113.198 -10.349 -7.475 1.00 1.00 H new ATOM 0 HA LYS A 44 111.028 -8.787 -6.723 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.817 -7.183 -5.132 1.00 1.00 H new ATOM 0 HB3 LYS A 44 112.091 -8.765 -4.432 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.374 -7.518 -5.975 1.00 1.00 H new ATOM 0 HG3 LYS A 44 113.993 -6.838 -4.406 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.180 -9.853 -4.599 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.680 -8.952 -4.687 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.463 -8.102 -2.479 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.720 -8.283 -2.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 114.791 -10.019 -1.153 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 113.999 -10.704 -2.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 115.688 -10.529 -2.502 1.00 1.00 H new ATOM 648 N PRO A 45 112.018 -6.844 -8.117 1.00 1.00 N ATOM 649 CA PRO A 45 112.379 -6.000 -9.296 1.00 1.00 C ATOM 650 C PRO A 45 113.422 -4.913 -9.089 1.00 1.00 C ATOM 651 O PRO A 45 113.754 -4.529 -7.978 1.00 1.00 O ATOM 652 CB PRO A 45 111.038 -5.366 -9.695 1.00 1.00 C ATOM 653 CG PRO A 45 110.152 -5.416 -8.491 1.00 1.00 C ATOM 654 CD PRO A 45 110.822 -6.296 -7.437 1.00 1.00 C ATOM 0 HA PRO A 45 112.860 -6.632 -10.043 1.00 1.00 H new ATOM 0 HB2 PRO A 45 111.182 -4.337 -10.025 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.588 -5.908 -10.527 1.00 1.00 H new ATOM 0 HG2 PRO A 45 109.988 -4.412 -8.099 1.00 1.00 H new ATOM 0 HG3 PRO A 45 109.174 -5.819 -8.756 1.00 1.00 H new ATOM 0 HD2 PRO A 45 111.097 -5.719 -6.554 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.156 -7.092 -7.103 1.00 1.00 H new ATOM 662 N GLY A 46 113.886 -4.393 -10.230 1.00 1.00 N ATOM 663 CA GLY A 46 114.842 -3.298 -10.264 1.00 1.00 C ATOM 664 C GLY A 46 114.124 -2.008 -10.604 1.00 1.00 C ATOM 665 O GLY A 46 112.979 -2.008 -11.054 1.00 1.00 O ATOM 0 H GLY A 46 113.605 -4.724 -11.153 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.339 -3.206 -9.298 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.617 -3.501 -11.003 1.00 1.00 H new ATOM 669 N LYS A 47 114.816 -0.922 -10.376 1.00 1.00 N ATOM 670 CA LYS A 47 114.285 0.405 -10.635 1.00 1.00 C ATOM 671 C LYS A 47 113.588 0.482 -11.977 1.00 1.00 C ATOM 672 O LYS A 47 112.735 1.341 -12.187 1.00 1.00 O ATOM 673 CB LYS A 47 115.422 1.446 -10.575 1.00 1.00 C ATOM 674 CG LYS A 47 116.384 1.327 -11.786 1.00 1.00 C ATOM 675 CD LYS A 47 117.410 0.182 -11.561 1.00 1.00 C ATOM 676 CE LYS A 47 117.660 -0.607 -12.845 1.00 1.00 C ATOM 677 NZ LYS A 47 118.543 0.181 -13.750 1.00 1.00 N ATOM 0 H LYS A 47 115.766 -0.925 -10.005 1.00 1.00 H new ATOM 0 HA LYS A 47 113.545 0.621 -9.864 1.00 1.00 H new ATOM 0 HB2 LYS A 47 114.995 2.448 -10.549 1.00 1.00 H new ATOM 0 HB3 LYS A 47 115.985 1.315 -9.651 1.00 1.00 H new ATOM 0 HG2 LYS A 47 115.812 1.136 -12.694 1.00 1.00 H new ATOM 0 HG3 LYS A 47 116.910 2.270 -11.933 1.00 1.00 H new ATOM 0 HD2 LYS A 47 118.350 0.600 -11.201 1.00 1.00 H new ATOM 0 HD3 LYS A 47 117.042 -0.490 -10.786 1.00 1.00 H new ATOM 0 HE2 LYS A 47 118.124 -1.565 -12.611 1.00 1.00 H new ATOM 0 HE3 LYS A 47 116.714 -0.824 -13.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 118.713 -0.357 -14.624 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 118.084 1.084 -13.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 119.450 0.366 -13.276 1.00 1.00 H new ATOM 691 N SER A 48 113.990 -0.387 -12.900 1.00 1.00 N ATOM 692 CA SER A 48 113.423 -0.365 -14.256 1.00 1.00 C ATOM 693 C SER A 48 112.497 -1.550 -14.529 1.00 1.00 C ATOM 694 O SER A 48 111.873 -1.621 -15.589 1.00 1.00 O ATOM 695 CB SER A 48 114.561 -0.370 -15.268 1.00 1.00 C ATOM 696 OG SER A 48 115.272 0.858 -15.180 1.00 1.00 O ATOM 0 H SER A 48 114.695 -1.107 -12.744 1.00 1.00 H new ATOM 0 HA SER A 48 112.822 0.540 -14.346 1.00 1.00 H new ATOM 0 HB2 SER A 48 115.232 -1.207 -15.074 1.00 1.00 H new ATOM 0 HB3 SER A 48 114.167 -0.504 -16.275 1.00 1.00 H new ATOM 0 HG SER A 48 116.007 0.858 -15.829 1.00 1.00 H new ATOM 702 N ASP A 49 112.421 -2.475 -13.580 1.00 1.00 N ATOM 703 CA ASP A 49 111.584 -3.660 -13.720 1.00 1.00 C ATOM 704 C ASP A 49 110.146 -3.350 -13.358 1.00 1.00 C ATOM 705 O ASP A 49 109.846 -2.306 -12.778 1.00 1.00 O ATOM 706 CB ASP A 49 112.117 -4.697 -12.768 1.00 1.00 C ATOM 707 CG ASP A 49 111.412 -6.041 -12.912 1.00 1.00 C ATOM 708 OD1 ASP A 49 111.805 -6.965 -12.223 1.00 1.00 O ATOM 709 OD2 ASP A 49 110.509 -6.142 -13.715 1.00 1.00 O ATOM 0 H ASP A 49 112.933 -2.426 -12.699 1.00 1.00 H new ATOM 0 HA ASP A 49 111.606 -4.011 -14.752 1.00 1.00 H new ATOM 0 HB2 ASP A 49 113.185 -4.830 -12.942 1.00 1.00 H new ATOM 0 HB3 ASP A 49 112.003 -4.339 -11.745 1.00 1.00 H new ATOM 714 N THR A 50 109.270 -4.292 -13.666 1.00 1.00 N ATOM 715 CA THR A 50 107.862 -4.167 -13.345 1.00 1.00 C ATOM 716 C THR A 50 107.521 -5.170 -12.268 1.00 1.00 C ATOM 717 O THR A 50 108.081 -6.266 -12.216 1.00 1.00 O ATOM 718 CB THR A 50 106.996 -4.352 -14.586 1.00 1.00 C ATOM 719 OG1 THR A 50 107.534 -3.605 -15.666 1.00 1.00 O ATOM 720 CG2 THR A 50 105.580 -3.883 -14.293 1.00 1.00 C ATOM 0 H THR A 50 109.515 -5.160 -14.143 1.00 1.00 H new ATOM 0 HA THR A 50 107.657 -3.163 -12.973 1.00 1.00 H new ATOM 0 HB THR A 50 106.979 -5.408 -14.857 1.00 1.00 H new ATOM 0 HG1 THR A 50 106.974 -3.729 -16.461 1.00 1.00 H new ATOM 0 HG21 THR A 50 104.962 -4.016 -15.181 1.00 1.00 H new ATOM 0 HG22 THR A 50 105.166 -4.468 -13.472 1.00 1.00 H new ATOM 0 HG23 THR A 50 105.596 -2.829 -14.016 1.00 1.00 H new ATOM 728 N VAL A 51 106.648 -4.747 -11.365 1.00 1.00 N ATOM 729 CA VAL A 51 106.281 -5.559 -10.213 1.00 1.00 C ATOM 730 C VAL A 51 104.780 -5.769 -10.112 1.00 1.00 C ATOM 731 O VAL A 51 104.019 -4.999 -10.672 1.00 1.00 O ATOM 732 CB VAL A 51 106.782 -4.834 -8.959 1.00 1.00 C ATOM 733 CG1 VAL A 51 105.936 -3.602 -8.646 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.757 -5.797 -7.778 1.00 1.00 C ATOM 0 H VAL A 51 106.179 -3.842 -11.408 1.00 1.00 H new ATOM 0 HA VAL A 51 106.733 -6.545 -10.317 1.00 1.00 H new ATOM 0 HB VAL A 51 107.802 -4.495 -9.143 1.00 1.00 H new ATOM 0 HG11 VAL A 51 106.321 -3.114 -7.751 1.00 1.00 H new ATOM 0 HG12 VAL A 51 105.980 -2.908 -9.485 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.902 -3.904 -8.479 1.00 1.00 H new ATOM 0 HG21 VAL A 51 107.113 -5.285 -6.884 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.737 -6.146 -7.615 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.403 -6.649 -7.990 1.00 1.00 H new ATOM 738 N THR A 52 104.361 -6.799 -9.365 1.00 1.00 N ATOM 739 CA THR A 52 102.929 -7.068 -9.168 1.00 1.00 C ATOM 740 C THR A 52 102.635 -7.110 -7.666 1.00 1.00 C ATOM 741 O THR A 52 103.245 -7.900 -6.946 1.00 1.00 O ATOM 742 CB THR A 52 102.577 -8.411 -9.814 1.00 1.00 C ATOM 743 OG1 THR A 52 102.878 -8.366 -11.200 1.00 1.00 O ATOM 744 CG2 THR A 52 101.097 -8.711 -9.617 1.00 1.00 C ATOM 0 H THR A 52 104.984 -7.453 -8.892 1.00 1.00 H new ATOM 0 HA THR A 52 102.329 -6.284 -9.630 1.00 1.00 H new ATOM 0 HB THR A 52 103.164 -9.199 -9.343 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.268 -9.221 -11.478 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.855 -9.668 -10.079 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.874 -8.756 -8.551 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.501 -7.924 -10.079 1.00 1.00 H new ATOM 752 N VAL A 53 101.743 -6.226 -7.175 1.00 1.00 N ATOM 753 CA VAL A 53 101.470 -6.167 -5.726 1.00 1.00 C ATOM 754 C VAL A 53 100.034 -5.750 -5.360 1.00 1.00 C ATOM 755 O VAL A 53 99.337 -5.130 -6.161 1.00 1.00 O ATOM 756 CB VAL A 53 102.397 -5.096 -5.136 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.839 -5.371 -5.550 1.00 1.00 C ATOM 758 CG2 VAL A 53 101.994 -3.681 -5.654 1.00 1.00 C ATOM 0 H VAL A 53 101.214 -5.562 -7.741 1.00 1.00 H new ATOM 0 HA VAL A 53 101.626 -7.173 -5.336 1.00 1.00 H new ATOM 0 HB VAL A 53 102.306 -5.128 -4.050 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.491 -4.607 -5.127 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.143 -6.351 -5.182 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.915 -5.352 -6.637 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.661 -2.933 -5.226 1.00 1.00 H new ATOM 0 HG22 VAL A 53 102.071 -3.656 -6.741 1.00 1.00 H new ATOM 0 HG23 VAL A 53 100.968 -3.464 -5.358 1.00 1.00 H new ATOM 762 N GLU A 54 99.663 -5.977 -4.086 1.00 1.00 N ATOM 763 CA GLU A 54 98.365 -5.503 -3.553 1.00 1.00 C ATOM 764 C GLU A 54 98.697 -4.552 -2.404 1.00 1.00 C ATOM 765 O GLU A 54 99.764 -4.681 -1.805 1.00 1.00 O ATOM 766 CB GLU A 54 97.452 -6.625 -3.006 1.00 1.00 C ATOM 767 CG GLU A 54 97.439 -7.873 -3.907 1.00 1.00 C ATOM 768 CD GLU A 54 97.189 -9.143 -3.086 1.00 1.00 C ATOM 769 OE1 GLU A 54 97.311 -10.218 -3.649 1.00 1.00 O ATOM 770 OE2 GLU A 54 96.871 -9.022 -1.914 1.00 1.00 O ATOM 0 H GLU A 54 100.236 -6.481 -3.409 1.00 1.00 H new ATOM 0 HA GLU A 54 97.813 -5.039 -4.371 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.787 -6.906 -2.008 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.436 -6.244 -2.905 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.664 -7.769 -4.667 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.391 -7.957 -4.432 1.00 1.00 H new ATOM 777 N TYR A 55 97.843 -3.569 -2.104 1.00 1.00 N ATOM 778 CA TYR A 55 98.200 -2.642 -1.042 1.00 1.00 C ATOM 779 C TYR A 55 97.033 -1.800 -0.536 1.00 1.00 C ATOM 780 O TYR A 55 96.015 -1.643 -1.207 1.00 1.00 O ATOM 781 CB TYR A 55 99.236 -1.684 -1.607 1.00 1.00 C ATOM 782 CG TYR A 55 98.640 -1.053 -2.846 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.757 0.026 -2.727 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.940 -1.567 -4.109 1.00 1.00 C ATOM 785 CE1 TYR A 55 97.180 0.591 -3.868 1.00 1.00 C ATOM 786 CE2 TYR A 55 98.365 -0.997 -5.247 1.00 1.00 C ATOM 787 CZ TYR A 55 97.484 0.080 -5.126 1.00 1.00 C ATOM 788 OH TYR A 55 96.912 0.642 -6.250 1.00 1.00 O ATOM 0 H TYR A 55 96.945 -3.403 -2.558 1.00 1.00 H new ATOM 0 HA TYR A 55 98.559 -3.236 -0.202 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.493 -0.920 -0.873 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.156 -2.214 -1.851 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.521 0.423 -1.751 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.616 -2.404 -4.206 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.499 1.424 -3.773 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.603 -1.391 -6.224 1.00 1.00 H new ATOM 0 HH TYR A 55 97.228 0.170 -7.049 1.00 1.00 H new ATOM 798 N THR A 56 97.250 -1.180 0.635 1.00 1.00 N ATOM 799 CA THR A 56 96.278 -0.253 1.221 1.00 1.00 C ATOM 800 C THR A 56 96.978 1.075 1.457 1.00 1.00 C ATOM 801 O THR A 56 98.056 1.107 2.012 1.00 1.00 O ATOM 802 CB THR A 56 95.633 -0.803 2.512 1.00 1.00 C ATOM 803 OG1 THR A 56 94.529 -1.621 2.170 1.00 1.00 O ATOM 804 CG2 THR A 56 95.129 0.328 3.419 1.00 1.00 C ATOM 0 H THR A 56 98.094 -1.307 1.194 1.00 1.00 H new ATOM 0 HA THR A 56 95.449 -0.118 0.527 1.00 1.00 H new ATOM 0 HB THR A 56 96.394 -1.371 3.048 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.320 -2.218 2.919 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.682 -0.098 4.317 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.965 0.970 3.699 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.382 0.917 2.886 1.00 1.00 H new ATOM 812 N GLY A 57 96.369 2.170 1.019 1.00 1.00 N ATOM 813 CA GLY A 57 96.977 3.497 1.191 1.00 1.00 C ATOM 814 C GLY A 57 96.144 4.332 2.143 1.00 1.00 C ATOM 815 O GLY A 57 94.924 4.407 1.997 1.00 1.00 O ATOM 0 H GLY A 57 95.465 2.174 0.547 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.991 3.394 1.577 1.00 1.00 H new ATOM 0 HA3 GLY A 57 97.053 3.999 0.226 1.00 1.00 H new ATOM 819 N ARG A 58 96.787 4.960 3.132 1.00 1.00 N ATOM 820 CA ARG A 58 96.044 5.765 4.088 1.00 1.00 C ATOM 821 C ARG A 58 96.822 6.981 4.563 1.00 1.00 C ATOM 822 O ARG A 58 98.028 7.108 4.349 1.00 1.00 O ATOM 823 CB ARG A 58 95.645 4.910 5.298 1.00 1.00 C ATOM 824 CG ARG A 58 96.873 4.640 6.195 1.00 1.00 C ATOM 825 CD ARG A 58 96.460 3.919 7.483 1.00 1.00 C ATOM 826 NE ARG A 58 96.453 2.475 7.260 1.00 1.00 N ATOM 827 CZ ARG A 58 96.787 1.608 8.216 1.00 1.00 C ATOM 828 NH1 ARG A 58 97.138 2.025 9.404 1.00 1.00 N ATOM 829 NH2 ARG A 58 96.779 0.331 7.952 1.00 1.00 N ATOM 0 H ARG A 58 97.795 4.925 3.285 1.00 1.00 H new ATOM 0 HA ARG A 58 95.155 6.127 3.571 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.872 5.420 5.873 1.00 1.00 H new ATOM 0 HB3 ARG A 58 95.219 3.965 4.959 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.600 4.036 5.652 1.00 1.00 H new ATOM 0 HG3 ARG A 58 97.363 5.582 6.442 1.00 1.00 H new ATOM 0 HD2 ARG A 58 97.151 4.169 8.288 1.00 1.00 H new ATOM 0 HD3 ARG A 58 95.471 4.253 7.797 1.00 1.00 H new ATOM 0 HE ARG A 58 96.184 2.119 6.343 1.00 1.00 H new ATOM 0 HH11 ARG A 58 97.159 3.024 9.608 1.00 1.00 H new ATOM 0 HH12 ARG A 58 97.391 1.351 10.127 1.00 1.00 H new ATOM 0 HH21 ARG A 58 96.519 0.004 7.021 1.00 1.00 H new ATOM 0 HH22 ARG A 58 97.033 -0.341 8.676 1.00 1.00 H new ATOM 843 N LEU A 59 96.098 7.844 5.252 1.00 1.00 N ATOM 844 CA LEU A 59 96.663 9.046 5.838 1.00 1.00 C ATOM 845 C LEU A 59 97.273 8.724 7.201 1.00 1.00 C ATOM 846 O LEU A 59 97.015 7.670 7.782 1.00 1.00 O ATOM 847 CB LEU A 59 95.547 10.092 6.017 1.00 1.00 C ATOM 848 CG LEU A 59 95.552 11.148 4.894 1.00 1.00 C ATOM 849 CD1 LEU A 59 94.873 10.597 3.646 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.795 12.403 5.344 1.00 1.00 C ATOM 0 H LEU A 59 95.099 7.731 5.422 1.00 1.00 H new ATOM 0 HA LEU A 59 97.440 9.437 5.181 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.580 9.589 6.036 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.668 10.588 6.980 1.00 1.00 H new ATOM 0 HG LEU A 59 96.589 11.399 4.671 1.00 1.00 H new ATOM 0 HD11 LEU A 59 94.884 11.354 2.862 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.407 9.711 3.303 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.842 10.332 3.880 1.00 1.00 H new ATOM 0 HD21 LEU A 59 94.806 13.141 4.542 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.764 12.140 5.582 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.276 12.821 6.228 1.00 1.00 H new ATOM 862 N ILE A 60 98.066 9.661 7.696 1.00 1.00 N ATOM 863 CA ILE A 60 98.709 9.524 8.995 1.00 1.00 C ATOM 864 C ILE A 60 97.691 9.351 10.100 1.00 1.00 C ATOM 865 O ILE A 60 97.989 8.805 11.162 1.00 1.00 O ATOM 866 CB ILE A 60 99.557 10.772 9.306 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.712 12.049 9.579 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.495 11.040 8.146 1.00 1.00 C ATOM 869 CD1 ILE A 60 97.985 12.541 8.334 1.00 1.00 C ATOM 0 H ILE A 60 98.282 10.533 7.213 1.00 1.00 H new ATOM 0 HA ILE A 60 99.342 8.638 8.950 1.00 1.00 H new ATOM 0 HB ILE A 60 100.106 10.555 10.222 1.00 1.00 H new ATOM 0 HG12 ILE A 60 97.984 11.839 10.362 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.363 12.839 9.952 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.097 11.923 8.362 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.149 10.180 8.001 1.00 1.00 H new ATOM 0 HG23 ILE A 60 99.914 11.210 7.240 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.410 13.434 8.578 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.713 12.779 7.558 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.312 11.763 7.974 1.00 1.00 H new ATOM 876 N ASP A 61 96.499 9.860 9.849 1.00 1.00 N ATOM 877 CA ASP A 61 95.421 9.819 10.831 1.00 1.00 C ATOM 878 C ASP A 61 94.433 8.698 10.547 1.00 1.00 C ATOM 879 O ASP A 61 93.377 8.629 11.177 1.00 1.00 O ATOM 880 CB ASP A 61 94.686 11.160 10.839 1.00 1.00 C ATOM 881 CG ASP A 61 93.914 11.329 12.144 1.00 1.00 C ATOM 882 OD1 ASP A 61 93.760 10.345 12.847 1.00 1.00 O ATOM 883 OD2 ASP A 61 93.494 12.439 12.424 1.00 1.00 O ATOM 0 H ASP A 61 96.248 10.310 8.969 1.00 1.00 H new ATOM 0 HA ASP A 61 95.868 9.627 11.807 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.400 11.975 10.722 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.001 11.213 9.993 1.00 1.00 H new ATOM 888 N GLY A 62 94.773 7.810 9.620 1.00 1.00 N ATOM 889 CA GLY A 62 93.889 6.686 9.312 1.00 1.00 C ATOM 890 C GLY A 62 92.889 6.977 8.191 1.00 1.00 C ATOM 891 O GLY A 62 92.193 6.067 7.747 1.00 1.00 O ATOM 0 H GLY A 62 95.636 7.841 9.077 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.496 5.825 9.031 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.341 6.409 10.213 1.00 1.00 H new ATOM 895 N THR A 63 92.814 8.216 7.705 1.00 1.00 N ATOM 896 CA THR A 63 91.879 8.504 6.612 1.00 1.00 C ATOM 897 C THR A 63 92.312 7.741 5.370 1.00 1.00 C ATOM 898 O THR A 63 93.256 8.140 4.689 1.00 1.00 O ATOM 899 CB THR A 63 91.825 10.000 6.292 1.00 1.00 C ATOM 900 OG1 THR A 63 91.689 10.744 7.494 1.00 1.00 O ATOM 901 CG2 THR A 63 90.635 10.281 5.380 1.00 1.00 C ATOM 0 H THR A 63 93.364 9.010 8.033 1.00 1.00 H new ATOM 0 HA THR A 63 90.884 8.191 6.927 1.00 1.00 H new ATOM 0 HB THR A 63 92.747 10.295 5.790 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.657 11.701 7.285 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.595 11.346 5.151 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.744 9.715 4.455 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.714 9.983 5.881 1.00 1.00 H new ATOM 909 N VAL A 64 91.632 6.634 5.083 1.00 1.00 N ATOM 910 CA VAL A 64 91.983 5.825 3.922 1.00 1.00 C ATOM 911 C VAL A 64 91.528 6.482 2.646 1.00 1.00 C ATOM 912 O VAL A 64 90.336 6.700 2.426 1.00 1.00 O ATOM 913 CB VAL A 64 91.400 4.417 4.062 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.697 3.573 2.826 1.00 1.00 C ATOM 915 CG2 VAL A 64 92.024 3.746 5.278 1.00 1.00 C ATOM 0 H VAL A 64 90.846 6.281 5.630 1.00 1.00 H new ATOM 0 HA VAL A 64 93.069 5.741 3.875 1.00 1.00 H new ATOM 0 HB VAL A 64 90.319 4.498 4.175 1.00 1.00 H new ATOM 0 HG11 VAL A 64 91.271 2.578 2.954 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.257 4.046 1.948 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.776 3.491 2.692 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.616 2.741 5.388 1.00 1.00 H new ATOM 0 HG22 VAL A 64 93.104 3.687 5.146 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.799 4.329 6.171 1.00 1.00 H new ATOM 919 N PHE A 65 92.508 6.814 1.805 1.00 1.00 N ATOM 920 CA PHE A 65 92.217 7.474 0.537 1.00 1.00 C ATOM 921 C PHE A 65 92.320 6.522 -0.638 1.00 1.00 C ATOM 922 O PHE A 65 91.801 6.803 -1.717 1.00 1.00 O ATOM 923 CB PHE A 65 93.126 8.675 0.343 1.00 1.00 C ATOM 924 CG PHE A 65 94.558 8.276 0.073 1.00 1.00 C ATOM 925 CD1 PHE A 65 95.366 7.871 1.133 1.00 1.00 C ATOM 926 CD2 PHE A 65 95.090 8.372 -1.217 1.00 1.00 C ATOM 927 CE1 PHE A 65 96.712 7.557 0.911 1.00 1.00 C ATOM 928 CE2 PHE A 65 96.432 8.049 -1.444 1.00 1.00 C ATOM 929 CZ PHE A 65 97.242 7.646 -0.376 1.00 1.00 C ATOM 0 H PHE A 65 93.498 6.638 1.978 1.00 1.00 H new ATOM 0 HA PHE A 65 91.184 7.820 0.577 1.00 1.00 H new ATOM 0 HB2 PHE A 65 92.757 9.276 -0.488 1.00 1.00 H new ATOM 0 HB3 PHE A 65 93.088 9.303 1.233 1.00 1.00 H new ATOM 0 HD1 PHE A 65 94.953 7.799 2.128 1.00 1.00 H new ATOM 0 HD2 PHE A 65 94.465 8.695 -2.037 1.00 1.00 H new ATOM 0 HE1 PHE A 65 97.338 7.247 1.734 1.00 1.00 H new ATOM 0 HE2 PHE A 65 96.842 8.110 -2.441 1.00 1.00 H new ATOM 0 HZ PHE A 65 98.280 7.403 -0.549 1.00 1.00 H new ATOM 939 N ASP A 66 92.946 5.375 -0.420 1.00 1.00 N ATOM 940 CA ASP A 66 93.049 4.381 -1.481 1.00 1.00 C ATOM 941 C ASP A 66 93.327 3.003 -0.892 1.00 1.00 C ATOM 942 O ASP A 66 93.897 2.877 0.192 1.00 1.00 O ATOM 943 CB ASP A 66 94.144 4.787 -2.502 1.00 1.00 C ATOM 944 CG ASP A 66 93.557 4.893 -3.912 1.00 1.00 C ATOM 945 OD1 ASP A 66 93.469 3.871 -4.576 1.00 1.00 O ATOM 946 OD2 ASP A 66 93.194 5.990 -4.300 1.00 1.00 O ATOM 0 H ASP A 66 93.383 5.111 0.463 1.00 1.00 H new ATOM 0 HA ASP A 66 92.098 4.335 -2.012 1.00 1.00 H new ATOM 0 HB2 ASP A 66 94.582 5.742 -2.212 1.00 1.00 H new ATOM 0 HB3 ASP A 66 94.948 4.051 -2.492 1.00 1.00 H new ATOM 951 N SER A 67 92.924 1.970 -1.622 1.00 1.00 N ATOM 952 CA SER A 67 93.143 0.607 -1.162 1.00 1.00 C ATOM 953 C SER A 67 93.137 -0.384 -2.312 1.00 1.00 C ATOM 954 O SER A 67 92.592 -0.116 -3.383 1.00 1.00 O ATOM 955 CB SER A 67 92.084 0.213 -0.133 1.00 1.00 C ATOM 956 OG SER A 67 90.834 0.030 -0.784 1.00 1.00 O ATOM 0 H SER A 67 92.451 2.049 -2.522 1.00 1.00 H new ATOM 0 HA SER A 67 94.128 0.577 -0.697 1.00 1.00 H new ATOM 0 HB2 SER A 67 92.379 -0.705 0.375 1.00 1.00 H new ATOM 0 HB3 SER A 67 91.998 0.986 0.631 1.00 1.00 H new ATOM 0 HG SER A 67 90.156 -0.224 -0.124 1.00 1.00 H new ATOM 962 N THR A 68 93.752 -1.537 -2.068 1.00 1.00 N ATOM 963 CA THR A 68 93.825 -2.593 -3.072 1.00 1.00 C ATOM 964 C THR A 68 93.949 -3.945 -2.389 1.00 1.00 C ATOM 965 O THR A 68 93.283 -4.908 -2.765 1.00 1.00 O ATOM 966 CB THR A 68 95.031 -2.390 -3.993 1.00 1.00 C ATOM 967 OG1 THR A 68 94.922 -1.142 -4.663 1.00 1.00 O ATOM 968 CG2 THR A 68 95.076 -3.515 -5.024 1.00 1.00 C ATOM 0 H THR A 68 94.207 -1.764 -1.184 1.00 1.00 H new ATOM 0 HA THR A 68 92.913 -2.556 -3.668 1.00 1.00 H new ATOM 0 HB THR A 68 95.944 -2.400 -3.397 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.816 -0.764 -4.797 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.934 -3.372 -5.681 1.00 1.00 H new ATOM 0 HG22 THR A 68 95.166 -4.474 -4.513 1.00 1.00 H new ATOM 0 HG23 THR A 68 94.160 -3.503 -5.615 1.00 1.00 H new ATOM 976 N GLU A 69 94.802 -4.005 -1.371 1.00 1.00 N ATOM 977 CA GLU A 69 94.992 -5.244 -0.636 1.00 1.00 C ATOM 978 C GLU A 69 93.687 -5.664 -0.002 1.00 1.00 C ATOM 979 O GLU A 69 93.439 -6.851 0.204 1.00 1.00 O ATOM 980 CB GLU A 69 96.089 -5.105 0.409 1.00 1.00 C ATOM 981 CG GLU A 69 95.810 -3.948 1.360 1.00 1.00 C ATOM 982 CD GLU A 69 94.936 -4.374 2.540 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.900 -3.634 3.509 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.331 -5.429 2.469 1.00 1.00 O ATOM 0 H GLU A 69 95.364 -3.220 -1.042 1.00 1.00 H new ATOM 0 HA GLU A 69 95.310 -6.018 -1.334 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.172 -6.032 0.976 1.00 1.00 H new ATOM 0 HB3 GLU A 69 97.047 -4.947 -0.086 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.754 -3.550 1.733 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.317 -3.142 0.816 1.00 1.00 H new ATOM 991 N LYS A 70 92.842 -4.687 0.295 1.00 1.00 N ATOM 992 CA LYS A 70 91.561 -4.993 0.889 1.00 1.00 C ATOM 993 C LYS A 70 90.841 -5.940 -0.048 1.00 1.00 C ATOM 994 O LYS A 70 90.287 -6.959 0.366 1.00 1.00 O ATOM 995 CB LYS A 70 90.758 -3.711 1.084 1.00 1.00 C ATOM 996 CG LYS A 70 91.507 -2.803 2.053 1.00 1.00 C ATOM 997 CD LYS A 70 91.489 -3.392 3.473 1.00 1.00 C ATOM 998 CE LYS A 70 91.862 -2.309 4.478 1.00 1.00 C ATOM 999 NZ LYS A 70 92.063 -2.930 5.819 1.00 1.00 N ATOM 0 H LYS A 70 93.020 -3.695 0.136 1.00 1.00 H new ATOM 0 HA LYS A 70 91.686 -5.456 1.868 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.615 -3.207 0.128 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.767 -3.942 1.474 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.537 -2.677 1.719 1.00 1.00 H new ATOM 0 HG3 LYS A 70 91.050 -1.813 2.059 1.00 1.00 H new ATOM 0 HD2 LYS A 70 90.500 -3.789 3.701 1.00 1.00 H new ATOM 0 HD3 LYS A 70 92.190 -4.224 3.542 1.00 1.00 H new ATOM 0 HE2 LYS A 70 92.772 -1.800 4.160 1.00 1.00 H new ATOM 0 HE3 LYS A 70 91.076 -1.556 4.527 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 92.318 -2.194 6.508 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 91.184 -3.397 6.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 92.828 -3.633 5.765 1.00 1.00 H new ATOM 1013 N THR A 71 90.937 -5.618 -1.326 1.00 1.00 N ATOM 1014 CA THR A 71 90.379 -6.453 -2.368 1.00 1.00 C ATOM 1015 C THR A 71 91.308 -7.661 -2.540 1.00 1.00 C ATOM 1016 O THR A 71 90.861 -8.777 -2.811 1.00 1.00 O ATOM 1017 CB THR A 71 90.247 -5.636 -3.679 1.00 1.00 C ATOM 1018 OG1 THR A 71 90.860 -4.368 -3.496 1.00 1.00 O ATOM 1019 CG2 THR A 71 88.769 -5.432 -4.039 1.00 1.00 C ATOM 0 H THR A 71 91.401 -4.776 -1.666 1.00 1.00 H new ATOM 0 HA THR A 71 89.380 -6.802 -2.106 1.00 1.00 H new ATOM 0 HB THR A 71 90.735 -6.181 -4.487 1.00 1.00 H new ATOM 0 HG1 THR A 71 91.831 -4.457 -3.594 1.00 1.00 H new ATOM 0 HG21 THR A 71 88.695 -4.857 -4.962 1.00 1.00 H new ATOM 0 HG22 THR A 71 88.291 -6.402 -4.177 1.00 1.00 H new ATOM 0 HG23 THR A 71 88.270 -4.892 -3.234 1.00 1.00 H new ATOM 1027 N GLY A 72 92.608 -7.417 -2.335 1.00 1.00 N ATOM 1028 CA GLY A 72 93.615 -8.468 -2.419 1.00 1.00 C ATOM 1029 C GLY A 72 93.999 -8.778 -3.854 1.00 1.00 C ATOM 1030 O GLY A 72 94.574 -9.829 -4.135 1.00 1.00 O ATOM 0 H GLY A 72 92.983 -6.496 -2.109 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.503 -8.164 -1.864 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.235 -9.372 -1.942 1.00 1.00 H new ATOM 1034 N LYS A 73 93.681 -7.859 -4.759 1.00 1.00 N ATOM 1035 CA LYS A 73 93.997 -8.048 -6.181 1.00 1.00 C ATOM 1036 C LYS A 73 95.287 -7.309 -6.548 1.00 1.00 C ATOM 1037 O LYS A 73 95.338 -6.082 -6.457 1.00 1.00 O ATOM 1038 CB LYS A 73 92.840 -7.500 -7.044 1.00 1.00 C ATOM 1039 CG LYS A 73 91.752 -8.563 -7.277 1.00 1.00 C ATOM 1040 CD LYS A 73 90.807 -8.624 -6.067 1.00 1.00 C ATOM 1041 CE LYS A 73 89.910 -9.865 -6.133 1.00 1.00 C ATOM 1042 NZ LYS A 73 90.700 -11.060 -6.549 1.00 1.00 N ATOM 0 H LYS A 73 93.209 -6.981 -4.542 1.00 1.00 H new ATOM 0 HA LYS A 73 94.132 -9.113 -6.368 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.401 -6.631 -6.555 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.230 -7.162 -8.004 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.187 -8.325 -8.178 1.00 1.00 H new ATOM 0 HG3 LYS A 73 92.213 -9.538 -7.438 1.00 1.00 H new ATOM 0 HD2 LYS A 73 91.390 -8.641 -5.146 1.00 1.00 H new ATOM 0 HD3 LYS A 73 90.190 -7.726 -6.037 1.00 1.00 H new ATOM 0 HE2 LYS A 73 89.455 -10.044 -5.159 1.00 1.00 H new ATOM 0 HE3 LYS A 73 89.097 -9.696 -6.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 90.211 -11.924 -6.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 90.798 -11.068 -7.584 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 91.643 -11.022 -6.112 1.00 1.00 H new ATOM 1056 N PRO A 74 96.336 -8.009 -6.952 1.00 1.00 N ATOM 1057 CA PRO A 74 97.617 -7.350 -7.310 1.00 1.00 C ATOM 1058 C PRO A 74 97.500 -6.323 -8.434 1.00 1.00 C ATOM 1059 O PRO A 74 96.655 -6.430 -9.323 1.00 1.00 O ATOM 1060 CB PRO A 74 98.547 -8.505 -7.705 1.00 1.00 C ATOM 1061 CG PRO A 74 97.944 -9.716 -7.098 1.00 1.00 C ATOM 1062 CD PRO A 74 96.457 -9.477 -7.102 1.00 1.00 C ATOM 0 HA PRO A 74 97.990 -6.765 -6.470 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.617 -8.601 -8.789 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.558 -8.341 -7.334 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.199 -10.609 -7.670 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.313 -9.871 -6.084 1.00 1.00 H new ATOM 0 HD2 PRO A 74 95.998 -9.824 -8.028 1.00 1.00 H new ATOM 0 HD3 PRO A 74 95.965 -10.005 -6.285 1.00 1.00 H new ATOM 1070 N ALA A 75 98.384 -5.333 -8.366 1.00 1.00 N ATOM 1071 CA ALA A 75 98.454 -4.250 -9.349 1.00 1.00 C ATOM 1072 C ALA A 75 99.864 -4.212 -9.926 1.00 1.00 C ATOM 1073 O ALA A 75 100.823 -4.520 -9.218 1.00 1.00 O ATOM 1074 CB ALA A 75 98.153 -2.918 -8.669 1.00 1.00 C ATOM 0 H ALA A 75 99.078 -5.256 -7.623 1.00 1.00 H new ATOM 0 HA ALA A 75 97.725 -4.420 -10.141 1.00 1.00 H new ATOM 0 HB1 ALA A 75 98.206 -2.114 -9.403 1.00 1.00 H new ATOM 0 HB2 ALA A 75 97.153 -2.948 -8.236 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.884 -2.738 -7.881 1.00 1.00 H new ATOM 1080 N THR A 76 100.006 -3.865 -11.207 1.00 1.00 N ATOM 1081 CA THR A 76 101.336 -3.841 -11.831 1.00 1.00 C ATOM 1082 C THR A 76 101.874 -2.429 -11.997 1.00 1.00 C ATOM 1083 O THR A 76 101.188 -1.534 -12.492 1.00 1.00 O ATOM 1084 CB THR A 76 101.277 -4.557 -13.174 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.451 -4.280 -13.926 1.00 1.00 O ATOM 1086 CG2 THR A 76 100.043 -4.096 -13.951 1.00 1.00 C ATOM 0 H THR A 76 99.237 -3.602 -11.823 1.00 1.00 H new ATOM 0 HA THR A 76 102.028 -4.360 -11.167 1.00 1.00 H new ATOM 0 HB THR A 76 101.213 -5.631 -13.001 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.405 -4.746 -14.787 1.00 1.00 H new ATOM 0 HG21 THR A 76 100.004 -4.610 -14.911 1.00 1.00 H new ATOM 0 HG22 THR A 76 99.145 -4.328 -13.379 1.00 1.00 H new ATOM 0 HG23 THR A 76 100.099 -3.020 -14.118 1.00 1.00 H new ATOM 1094 N PHE A 77 103.126 -2.248 -11.568 1.00 1.00 N ATOM 1095 CA PHE A 77 103.792 -0.956 -11.653 1.00 1.00 C ATOM 1096 C PHE A 77 105.220 -1.131 -12.060 1.00 1.00 C ATOM 1097 O PHE A 77 105.880 -2.092 -11.670 1.00 1.00 O ATOM 1098 CB PHE A 77 103.842 -0.269 -10.297 1.00 1.00 C ATOM 1099 CG PHE A 77 102.477 -0.244 -9.692 1.00 1.00 C ATOM 1100 CD1 PHE A 77 102.252 -0.895 -8.489 1.00 1.00 C ATOM 1101 CD2 PHE A 77 101.435 0.404 -10.351 1.00 1.00 C ATOM 1102 CE1 PHE A 77 100.977 -0.901 -7.933 1.00 1.00 C ATOM 1103 CE2 PHE A 77 100.157 0.413 -9.797 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.926 -0.240 -8.588 1.00 1.00 C ATOM 0 H PHE A 77 103.697 -2.987 -11.157 1.00 1.00 H new ATOM 0 HA PHE A 77 103.227 -0.367 -12.375 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.532 -0.795 -9.638 1.00 1.00 H new ATOM 0 HB3 PHE A 77 104.219 0.748 -10.408 1.00 1.00 H new ATOM 0 HD1 PHE A 77 103.065 -1.396 -7.985 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.618 0.900 -11.293 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.796 -1.413 -6.999 1.00 1.00 H new ATOM 0 HE2 PHE A 77 99.350 0.923 -10.302 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.937 -0.238 -8.154 1.00 1.00 H new ATOM 1114 N GLN A 78 105.724 -0.145 -12.744 1.00 1.00 N ATOM 1115 CA GLN A 78 107.121 -0.138 -13.090 1.00 1.00 C ATOM 1116 C GLN A 78 107.816 0.581 -11.968 1.00 1.00 C ATOM 1117 O GLN A 78 107.396 1.668 -11.571 1.00 1.00 O ATOM 1118 CB GLN A 78 107.370 0.548 -14.421 1.00 1.00 C ATOM 1119 CG GLN A 78 106.934 -0.372 -15.550 1.00 1.00 C ATOM 1120 CD GLN A 78 107.304 0.248 -16.887 1.00 1.00 C ATOM 1121 OE1 GLN A 78 107.947 1.376 -16.880 1.00 1.00 O flip ATOM 1122 NE2 GLN A 78 107.015 -0.310 -17.947 1.00 1.00 N flip ATOM 0 H GLN A 78 105.194 0.662 -13.073 1.00 1.00 H new ATOM 0 HA GLN A 78 107.499 -1.153 -13.211 1.00 1.00 H new ATOM 0 HB2 GLN A 78 106.818 1.487 -14.468 1.00 1.00 H new ATOM 0 HB3 GLN A 78 108.427 0.794 -14.524 1.00 1.00 H new ATOM 0 HG2 GLN A 78 107.413 -1.345 -15.445 1.00 1.00 H new ATOM 0 HG3 GLN A 78 105.858 -0.539 -15.501 1.00 1.00 H new ATOM 0 HE21 GLN A 78 106.510 -1.196 -17.936 1.00 1.00 H new ATOM 0 HE22 GLN A 78 107.281 0.114 -18.836 1.00 1.00 H new ATOM 1131 N VAL A 79 108.833 -0.037 -11.408 1.00 1.00 N ATOM 1132 CA VAL A 79 109.491 0.579 -10.281 1.00 1.00 C ATOM 1133 C VAL A 79 109.878 2.019 -10.609 1.00 1.00 C ATOM 1134 O VAL A 79 109.928 2.863 -9.721 1.00 1.00 O ATOM 1135 CB VAL A 79 110.724 -0.229 -9.869 1.00 1.00 C ATOM 1136 CG1 VAL A 79 111.333 0.371 -8.617 1.00 1.00 C ATOM 1137 CG2 VAL A 79 110.342 -1.665 -9.569 1.00 1.00 C ATOM 0 H VAL A 79 109.212 -0.937 -11.703 1.00 1.00 H new ATOM 0 HA VAL A 79 108.795 0.592 -9.442 1.00 1.00 H new ATOM 0 HB VAL A 79 111.439 -0.203 -10.691 1.00 1.00 H new ATOM 0 HG11 VAL A 79 112.211 -0.207 -8.326 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.626 1.402 -8.813 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.601 0.349 -7.810 1.00 1.00 H new ATOM 0 HG21 VAL A 79 111.231 -2.225 -9.278 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.617 -1.686 -8.755 1.00 1.00 H new ATOM 0 HG23 VAL A 79 109.903 -2.118 -10.458 1.00 1.00 H new ATOM 1141 N SER A 80 110.140 2.312 -11.884 1.00 1.00 N ATOM 1142 CA SER A 80 110.515 3.668 -12.265 1.00 1.00 C ATOM 1143 C SER A 80 109.309 4.592 -12.327 1.00 1.00 C ATOM 1144 O SER A 80 109.445 5.812 -12.241 1.00 1.00 O ATOM 1145 CB SER A 80 111.209 3.666 -13.623 1.00 1.00 C ATOM 1146 OG SER A 80 111.554 5.001 -13.972 1.00 1.00 O ATOM 0 H SER A 80 110.100 1.643 -12.653 1.00 1.00 H new ATOM 0 HA SER A 80 111.196 4.039 -11.499 1.00 1.00 H new ATOM 0 HB2 SER A 80 112.103 3.044 -13.587 1.00 1.00 H new ATOM 0 HB3 SER A 80 110.552 3.237 -14.380 1.00 1.00 H new ATOM 0 HG SER A 80 112.002 5.006 -14.844 1.00 1.00 H new ATOM 1152 N GLN A 81 108.133 4.015 -12.511 1.00 1.00 N ATOM 1153 CA GLN A 81 106.912 4.814 -12.627 1.00 1.00 C ATOM 1154 C GLN A 81 106.110 4.902 -11.331 1.00 1.00 C ATOM 1155 O GLN A 81 105.115 5.616 -11.282 1.00 1.00 O ATOM 1156 CB GLN A 81 106.004 4.208 -13.682 1.00 1.00 C ATOM 1157 CG GLN A 81 106.682 4.171 -15.046 1.00 1.00 C ATOM 1158 CD GLN A 81 107.166 5.555 -15.463 1.00 1.00 C ATOM 1159 OE1 GLN A 81 106.378 6.499 -15.522 1.00 1.00 O ATOM 1160 NE2 GLN A 81 108.424 5.731 -15.764 1.00 1.00 N ATOM 0 H GLN A 81 107.992 3.007 -12.583 1.00 1.00 H new ATOM 0 HA GLN A 81 107.240 5.819 -12.891 1.00 1.00 H new ATOM 0 HB2 GLN A 81 105.724 3.197 -13.386 1.00 1.00 H new ATOM 0 HB3 GLN A 81 105.083 4.787 -13.748 1.00 1.00 H new ATOM 0 HG2 GLN A 81 107.526 3.482 -15.016 1.00 1.00 H new ATOM 0 HG3 GLN A 81 105.984 3.788 -15.791 1.00 1.00 H new ATOM 0 HE21 GLN A 81 109.075 4.947 -15.714 1.00 1.00 H new ATOM 0 HE22 GLN A 81 108.756 6.652 -16.049 1.00 1.00 H new ATOM 1169 N VAL A 82 106.492 4.172 -10.298 1.00 1.00 N ATOM 1170 CA VAL A 82 105.716 4.208 -9.054 1.00 1.00 C ATOM 1171 C VAL A 82 106.196 5.356 -8.137 1.00 1.00 C ATOM 1172 O VAL A 82 107.173 6.032 -8.460 1.00 1.00 O ATOM 1173 CB VAL A 82 105.823 2.820 -8.432 1.00 1.00 C ATOM 1174 CG1 VAL A 82 107.165 2.674 -7.781 1.00 1.00 C ATOM 1175 CG2 VAL A 82 104.751 2.595 -7.423 1.00 1.00 C ATOM 0 H VAL A 82 107.309 3.561 -10.285 1.00 1.00 H new ATOM 0 HA VAL A 82 104.664 4.430 -9.231 1.00 1.00 H new ATOM 0 HB VAL A 82 105.705 2.078 -9.221 1.00 1.00 H new ATOM 0 HG11 VAL A 82 107.247 1.683 -7.334 1.00 1.00 H new ATOM 0 HG12 VAL A 82 107.948 2.801 -8.529 1.00 1.00 H new ATOM 0 HG13 VAL A 82 107.278 3.432 -7.006 1.00 1.00 H new ATOM 0 HG21 VAL A 82 104.855 1.597 -6.998 1.00 1.00 H new ATOM 0 HG22 VAL A 82 104.836 3.338 -6.630 1.00 1.00 H new ATOM 0 HG23 VAL A 82 103.776 2.686 -7.902 1.00 1.00 H new ATOM 1179 N ILE A 83 105.484 5.624 -7.025 1.00 1.00 N ATOM 1180 CA ILE A 83 105.865 6.755 -6.153 1.00 1.00 C ATOM 1181 C ILE A 83 107.357 6.621 -5.764 1.00 1.00 C ATOM 1182 O ILE A 83 107.874 5.504 -5.717 1.00 1.00 O ATOM 1183 CB ILE A 83 104.962 6.820 -4.868 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.872 5.781 -4.974 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.273 8.194 -4.738 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.913 5.876 -3.792 1.00 1.00 C ATOM 0 H ILE A 83 104.669 5.094 -6.715 1.00 1.00 H new ATOM 0 HA ILE A 83 105.714 7.684 -6.702 1.00 1.00 H new ATOM 0 HB ILE A 83 105.602 6.647 -4.003 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.322 5.918 -5.905 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.315 4.786 -5.009 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.656 8.208 -3.840 1.00 1.00 H new ATOM 0 HG22 ILE A 83 105.030 8.976 -4.670 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.646 8.371 -5.612 1.00 1.00 H new ATOM 0 HD11 ILE A 83 102.137 5.117 -3.891 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.462 5.714 -2.864 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.454 6.864 -3.774 1.00 1.00 H new ATOM 1193 N PRO A 84 108.059 7.709 -5.483 1.00 1.00 N ATOM 1194 CA PRO A 84 109.506 7.646 -5.101 1.00 1.00 C ATOM 1195 C PRO A 84 109.754 6.670 -3.959 1.00 1.00 C ATOM 1196 O PRO A 84 110.698 5.883 -3.990 1.00 1.00 O ATOM 1197 CB PRO A 84 109.823 9.078 -4.634 1.00 1.00 C ATOM 1198 CG PRO A 84 108.834 9.949 -5.328 1.00 1.00 C ATOM 1199 CD PRO A 84 107.576 9.104 -5.486 1.00 1.00 C ATOM 0 HA PRO A 84 110.126 7.302 -5.929 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.733 9.167 -3.551 1.00 1.00 H new ATOM 0 HB3 PRO A 84 110.844 9.359 -4.893 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.630 10.849 -4.748 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.211 10.274 -6.298 1.00 1.00 H new ATOM 0 HD2 PRO A 84 106.874 9.282 -4.671 1.00 1.00 H new ATOM 0 HD3 PRO A 84 107.054 9.340 -6.413 1.00 1.00 H new ATOM 1207 N GLY A 85 108.908 6.741 -2.943 1.00 1.00 N ATOM 1208 CA GLY A 85 109.078 5.866 -1.794 1.00 1.00 C ATOM 1209 C GLY A 85 109.052 4.404 -2.217 1.00 1.00 C ATOM 1210 O GLY A 85 109.895 3.600 -1.818 1.00 1.00 O ATOM 0 H GLY A 85 108.114 7.380 -2.889 1.00 1.00 H new ATOM 0 HA2 GLY A 85 110.023 6.089 -1.299 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.286 6.053 -1.069 1.00 1.00 H new ATOM 1214 N TRP A 86 108.068 4.093 -3.033 1.00 1.00 N ATOM 1215 CA TRP A 86 107.878 2.742 -3.554 1.00 1.00 C ATOM 1216 C TRP A 86 109.046 2.317 -4.454 1.00 1.00 C ATOM 1217 O TRP A 86 109.404 1.144 -4.501 1.00 1.00 O ATOM 1218 CB TRP A 86 106.579 2.719 -4.375 1.00 1.00 C ATOM 1219 CG TRP A 86 105.364 2.461 -3.536 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.889 3.238 -2.536 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.427 1.372 -3.675 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.731 2.673 -2.043 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.402 1.527 -2.723 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.370 0.271 -4.526 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.360 0.620 -2.630 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 103.321 -0.638 -4.434 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.312 -0.465 -3.487 1.00 1.00 C ATOM 0 H TRP A 86 107.373 4.765 -3.358 1.00 1.00 H new ATOM 0 HA TRP A 86 107.828 2.047 -2.716 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.463 3.673 -4.890 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.654 1.949 -5.143 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.342 4.152 -2.181 1.00 1.00 H new ATOM 0 HE1 TRP A 86 103.188 3.058 -1.270 1.00 1.00 H new ATOM 0 HE3 TRP A 86 105.146 0.122 -5.263 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.586 0.759 -1.890 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 103.288 -1.486 -5.102 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.499 -1.173 -3.423 1.00 1.00 H new ATOM 1238 N THR A 87 109.603 3.254 -5.206 1.00 1.00 N ATOM 1239 CA THR A 87 110.674 2.919 -6.133 1.00 1.00 C ATOM 1240 C THR A 87 111.786 2.123 -5.462 1.00 1.00 C ATOM 1241 O THR A 87 112.145 1.037 -5.918 1.00 1.00 O ATOM 1242 CB THR A 87 111.253 4.220 -6.698 1.00 1.00 C ATOM 1243 OG1 THR A 87 110.193 5.001 -7.227 1.00 1.00 O ATOM 1244 CG2 THR A 87 112.277 3.925 -7.796 1.00 1.00 C ATOM 0 H THR A 87 109.337 4.239 -5.194 1.00 1.00 H new ATOM 0 HA THR A 87 110.258 2.297 -6.925 1.00 1.00 H new ATOM 0 HB THR A 87 111.757 4.764 -5.899 1.00 1.00 H new ATOM 0 HG1 THR A 87 110.552 5.837 -7.590 1.00 1.00 H new ATOM 0 HG21 THR A 87 112.676 4.863 -8.183 1.00 1.00 H new ATOM 0 HG22 THR A 87 113.090 3.328 -7.384 1.00 1.00 H new ATOM 0 HG23 THR A 87 111.796 3.374 -8.604 1.00 1.00 H new ATOM 1252 N GLU A 88 112.336 2.663 -4.396 1.00 1.00 N ATOM 1253 CA GLU A 88 113.420 1.989 -3.690 1.00 1.00 C ATOM 1254 C GLU A 88 112.929 0.778 -2.886 1.00 1.00 C ATOM 1255 O GLU A 88 113.597 -0.251 -2.843 1.00 1.00 O ATOM 1256 CB GLU A 88 114.159 3.016 -2.809 1.00 1.00 C ATOM 1257 CG GLU A 88 115.495 3.404 -3.464 1.00 1.00 C ATOM 1258 CD GLU A 88 116.204 4.485 -2.654 1.00 1.00 C ATOM 1259 OE1 GLU A 88 115.691 4.855 -1.610 1.00 1.00 O ATOM 1260 OE2 GLU A 88 117.249 4.934 -3.096 1.00 1.00 O ATOM 0 H GLU A 88 112.058 3.559 -3.996 1.00 1.00 H new ATOM 0 HA GLU A 88 114.119 1.583 -4.422 1.00 1.00 H new ATOM 0 HB2 GLU A 88 113.540 3.903 -2.672 1.00 1.00 H new ATOM 0 HB3 GLU A 88 114.338 2.597 -1.819 1.00 1.00 H new ATOM 0 HG2 GLU A 88 116.135 2.525 -3.543 1.00 1.00 H new ATOM 0 HG3 GLU A 88 115.317 3.762 -4.478 1.00 1.00 H new ATOM 1267 N ALA A 89 111.782 0.907 -2.239 1.00 1.00 N ATOM 1268 CA ALA A 89 111.248 -0.183 -1.419 1.00 1.00 C ATOM 1269 C ALA A 89 111.038 -1.502 -2.184 1.00 1.00 C ATOM 1270 O ALA A 89 111.378 -2.570 -1.674 1.00 1.00 O ATOM 1271 CB ALA A 89 109.913 0.237 -0.829 1.00 1.00 C ATOM 0 H ALA A 89 111.202 1.746 -2.261 1.00 1.00 H new ATOM 0 HA ALA A 89 111.997 -0.371 -0.650 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.514 -0.573 -0.218 1.00 1.00 H new ATOM 0 HB2 ALA A 89 110.051 1.124 -0.210 1.00 1.00 H new ATOM 0 HB3 ALA A 89 109.214 0.462 -1.634 1.00 1.00 H new ATOM 1277 N LEU A 90 110.445 -1.437 -3.375 1.00 1.00 N ATOM 1278 CA LEU A 90 110.164 -2.654 -4.143 1.00 1.00 C ATOM 1279 C LEU A 90 111.447 -3.432 -4.404 1.00 1.00 C ATOM 1280 O LEU A 90 111.475 -4.660 -4.326 1.00 1.00 O ATOM 1281 CB LEU A 90 109.560 -2.272 -5.494 1.00 1.00 C ATOM 1282 CG LEU A 90 108.213 -1.566 -5.301 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.860 -0.850 -6.600 1.00 1.00 C ATOM 1284 CD2 LEU A 90 107.122 -2.577 -4.953 1.00 1.00 C ATOM 0 H LEU A 90 110.153 -0.570 -3.826 1.00 1.00 H new ATOM 0 HA LEU A 90 109.473 -3.270 -3.568 1.00 1.00 H new ATOM 0 HB2 LEU A 90 110.246 -1.618 -6.033 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.425 -3.165 -6.104 1.00 1.00 H new ATOM 0 HG LEU A 90 108.286 -0.852 -4.481 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.904 -0.340 -6.486 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.635 -0.120 -6.835 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.789 -1.577 -7.409 1.00 1.00 H new ATOM 0 HD21 LEU A 90 106.173 -2.057 -4.820 1.00 1.00 H new ATOM 0 HD22 LEU A 90 107.028 -3.303 -5.761 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.385 -3.093 -4.030 1.00 1.00 H new ATOM 1296 N GLN A 91 112.496 -2.697 -4.734 1.00 1.00 N ATOM 1297 CA GLN A 91 113.786 -3.280 -5.039 1.00 1.00 C ATOM 1298 C GLN A 91 114.390 -3.956 -3.819 1.00 1.00 C ATOM 1299 O GLN A 91 115.303 -4.774 -3.936 1.00 1.00 O ATOM 1300 CB GLN A 91 114.722 -2.171 -5.514 1.00 1.00 C ATOM 1301 CG GLN A 91 114.130 -1.507 -6.752 1.00 1.00 C ATOM 1302 CD GLN A 91 114.995 -0.325 -7.174 1.00 1.00 C ATOM 1303 OE1 GLN A 91 116.212 -0.455 -7.302 1.00 1.00 O ATOM 1304 NE2 GLN A 91 114.431 0.833 -7.373 1.00 1.00 N ATOM 0 H GLN A 91 112.474 -1.679 -4.797 1.00 1.00 H new ATOM 0 HA GLN A 91 113.654 -4.035 -5.814 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.861 -1.434 -4.723 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.705 -2.582 -5.743 1.00 1.00 H new ATOM 0 HG2 GLN A 91 114.065 -2.229 -7.566 1.00 1.00 H new ATOM 0 HG3 GLN A 91 113.115 -1.169 -6.543 1.00 1.00 H new ATOM 0 HE21 GLN A 91 113.422 0.934 -7.265 1.00 1.00 H new ATOM 0 HE22 GLN A 91 114.999 1.638 -7.637 1.00 1.00 H new ATOM 1313 N LEU A 92 113.894 -3.590 -2.642 1.00 1.00 N ATOM 1314 CA LEU A 92 114.410 -4.154 -1.395 1.00 1.00 C ATOM 1315 C LEU A 92 113.428 -5.147 -0.810 1.00 1.00 C ATOM 1316 O LEU A 92 113.775 -5.890 0.098 1.00 1.00 O ATOM 1317 CB LEU A 92 114.660 -3.035 -0.381 1.00 1.00 C ATOM 1318 CG LEU A 92 115.591 -1.975 -0.978 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.671 -0.797 -0.024 1.00 1.00 C ATOM 1320 CD2 LEU A 92 116.986 -2.549 -1.201 1.00 1.00 C ATOM 0 H LEU A 92 113.142 -2.911 -2.523 1.00 1.00 H new ATOM 0 HA LEU A 92 115.346 -4.669 -1.614 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.713 -2.577 -0.094 1.00 1.00 H new ATOM 0 HB3 LEU A 92 115.102 -3.448 0.525 1.00 1.00 H new ATOM 0 HG LEU A 92 115.194 -1.652 -1.940 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.332 -0.036 -0.440 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.676 -0.375 0.118 1.00 1.00 H new ATOM 0 HD13 LEU A 92 116.063 -1.132 0.936 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.632 -1.781 -1.626 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.398 -2.884 -0.249 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.927 -3.393 -1.888 1.00 1.00 H new ATOM 1332 N MET A 93 112.201 -5.145 -1.323 1.00 1.00 N ATOM 1333 CA MET A 93 111.170 -6.053 -0.825 1.00 1.00 C ATOM 1334 C MET A 93 111.178 -7.413 -1.574 1.00 1.00 C ATOM 1335 O MET A 93 110.773 -7.466 -2.735 1.00 1.00 O ATOM 1336 CB MET A 93 109.803 -5.397 -1.024 1.00 1.00 C ATOM 1337 CG MET A 93 108.697 -6.369 -0.598 1.00 1.00 C ATOM 1338 SD MET A 93 107.159 -5.457 -0.302 1.00 1.00 S ATOM 1339 CE MET A 93 106.679 -5.186 -2.027 1.00 1.00 C ATOM 0 H MET A 93 111.897 -4.530 -2.078 1.00 1.00 H new ATOM 0 HA MET A 93 111.372 -6.246 0.229 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.740 -4.480 -0.438 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.672 -5.117 -2.069 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.542 -7.120 -1.373 1.00 1.00 H new ATOM 0 HG3 MET A 93 108.995 -6.900 0.306 1.00 1.00 H new ATOM 0 HE1 MET A 93 106.580 -4.117 -2.214 1.00 1.00 H new ATOM 0 HE2 MET A 93 107.442 -5.601 -2.686 1.00 1.00 H new ATOM 0 HE3 MET A 93 105.726 -5.678 -2.221 1.00 1.00 H new ATOM 1349 N PRO A 94 111.597 -8.510 -0.948 1.00 1.00 N ATOM 1350 CA PRO A 94 111.601 -9.869 -1.592 1.00 1.00 C ATOM 1351 C PRO A 94 110.199 -10.383 -1.930 1.00 1.00 C ATOM 1352 O PRO A 94 109.229 -10.067 -1.247 1.00 1.00 O ATOM 1353 CB PRO A 94 112.278 -10.778 -0.551 1.00 1.00 C ATOM 1354 CG PRO A 94 112.959 -9.866 0.406 1.00 1.00 C ATOM 1355 CD PRO A 94 112.124 -8.605 0.427 1.00 1.00 C ATOM 0 HA PRO A 94 112.120 -9.844 -2.550 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.544 -11.402 -0.041 1.00 1.00 H new ATOM 0 HB3 PRO A 94 112.993 -11.450 -1.026 1.00 1.00 H new ATOM 0 HG2 PRO A 94 113.020 -10.313 1.398 1.00 1.00 H new ATOM 0 HG3 PRO A 94 113.980 -9.655 0.088 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.320 -8.670 1.160 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.723 -7.732 0.687 1.00 1.00 H new ATOM 1363 N ALA A 95 110.105 -11.184 -2.986 1.00 1.00 N ATOM 1364 CA ALA A 95 108.816 -11.736 -3.384 1.00 1.00 C ATOM 1365 C ALA A 95 108.267 -12.659 -2.322 1.00 1.00 C ATOM 1366 O ALA A 95 108.971 -13.517 -1.789 1.00 1.00 O ATOM 1367 CB ALA A 95 108.906 -12.476 -4.706 1.00 1.00 C ATOM 0 H ALA A 95 110.892 -11.462 -3.573 1.00 1.00 H new ATOM 0 HA ALA A 95 108.136 -10.893 -3.507 1.00 1.00 H new ATOM 0 HB1 ALA A 95 107.925 -12.873 -4.968 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.240 -11.790 -5.485 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.617 -13.297 -4.616 1.00 1.00 H new ATOM 1373 N GLY A 96 106.996 -12.450 -2.010 1.00 1.00 N ATOM 1374 CA GLY A 96 106.320 -13.226 -0.997 1.00 1.00 C ATOM 1375 C GLY A 96 106.395 -12.475 0.312 1.00 1.00 C ATOM 1376 O GLY A 96 105.624 -12.728 1.237 1.00 1.00 O ATOM 0 H GLY A 96 106.413 -11.740 -2.453 1.00 1.00 H new ATOM 0 HA2 GLY A 96 105.280 -13.393 -1.279 1.00 1.00 H new ATOM 0 HA3 GLY A 96 106.785 -14.207 -0.898 1.00 1.00 H new ATOM 1380 N SER A 97 107.331 -11.525 0.377 1.00 1.00 N ATOM 1381 CA SER A 97 107.492 -10.721 1.569 1.00 1.00 C ATOM 1382 C SER A 97 106.549 -9.535 1.524 1.00 1.00 C ATOM 1383 O SER A 97 106.509 -8.798 0.539 1.00 1.00 O ATOM 1384 CB SER A 97 108.937 -10.231 1.689 1.00 1.00 C ATOM 1385 OG SER A 97 109.142 -9.709 2.992 1.00 1.00 O ATOM 0 H SER A 97 107.978 -11.303 -0.379 1.00 1.00 H new ATOM 0 HA SER A 97 107.256 -11.334 2.438 1.00 1.00 H new ATOM 0 HB2 SER A 97 109.629 -11.051 1.499 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.138 -9.464 0.941 1.00 1.00 H new ATOM 0 HG SER A 97 108.288 -9.682 3.472 1.00 1.00 H new ATOM 1391 N THR A 98 105.791 -9.363 2.602 1.00 1.00 N ATOM 1392 CA THR A 98 104.838 -8.266 2.699 1.00 1.00 C ATOM 1393 C THR A 98 105.395 -7.187 3.590 1.00 1.00 C ATOM 1394 O THR A 98 105.619 -7.407 4.776 1.00 1.00 O ATOM 1395 CB THR A 98 103.518 -8.761 3.278 1.00 1.00 C ATOM 1396 OG1 THR A 98 103.008 -9.813 2.470 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.529 -7.608 3.301 1.00 1.00 C ATOM 0 H THR A 98 105.819 -9.971 3.421 1.00 1.00 H new ATOM 0 HA THR A 98 104.663 -7.867 1.700 1.00 1.00 H new ATOM 0 HB THR A 98 103.674 -9.134 4.290 1.00 1.00 H new ATOM 0 HG1 THR A 98 102.160 -10.131 2.844 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.580 -7.951 3.714 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.924 -6.802 3.920 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.372 -7.243 2.286 1.00 1.00 H new ATOM 1405 N TRP A 99 105.655 -6.024 3.008 1.00 1.00 N ATOM 1406 CA TRP A 99 106.223 -4.910 3.759 1.00 1.00 C ATOM 1407 C TRP A 99 105.242 -3.749 3.855 1.00 1.00 C ATOM 1408 O TRP A 99 104.259 -3.668 3.118 1.00 1.00 O ATOM 1409 CB TRP A 99 107.490 -4.374 3.067 1.00 1.00 C ATOM 1410 CG TRP A 99 108.651 -5.324 3.155 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.619 -6.626 3.536 1.00 1.00 C ATOM 1412 CD2 TRP A 99 110.041 -5.030 2.853 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.891 -7.150 3.469 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.809 -6.201 3.058 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.696 -3.863 2.423 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.185 -6.215 2.842 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 112.085 -3.871 2.208 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.828 -5.045 2.418 1.00 1.00 C ATOM 0 H TRP A 99 105.483 -5.827 2.022 1.00 1.00 H new ATOM 0 HA TRP A 99 106.455 -5.292 4.753 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.269 -4.175 2.018 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.770 -3.423 3.520 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.736 -7.166 3.843 1.00 1.00 H new ATOM 0 HE1 TRP A 99 110.126 -8.117 3.694 1.00 1.00 H new ATOM 0 HE3 TRP A 99 110.131 -2.958 2.257 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.752 -7.121 3.000 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.583 -2.971 1.880 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.895 -5.045 2.252 1.00 1.00 H new ATOM 1429 N GLU A 100 105.590 -2.815 4.726 1.00 1.00 N ATOM 1430 CA GLU A 100 104.837 -1.579 4.909 1.00 1.00 C ATOM 1431 C GLU A 100 105.814 -0.446 4.806 1.00 1.00 C ATOM 1432 O GLU A 100 106.791 -0.416 5.551 1.00 1.00 O ATOM 1433 CB GLU A 100 104.146 -1.506 6.274 1.00 1.00 C ATOM 1434 CG GLU A 100 102.861 -2.320 6.237 1.00 1.00 C ATOM 1435 CD GLU A 100 102.211 -2.344 7.616 1.00 1.00 C ATOM 1436 OE1 GLU A 100 102.736 -1.699 8.509 1.00 1.00 O ATOM 1437 OE2 GLU A 100 101.196 -3.008 7.759 1.00 1.00 O ATOM 0 H GLU A 100 106.408 -2.891 5.331 1.00 1.00 H new ATOM 0 HA GLU A 100 104.056 -1.531 4.150 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.809 -1.889 7.050 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.925 -0.469 6.526 1.00 1.00 H new ATOM 0 HG2 GLU A 100 102.172 -1.891 5.510 1.00 1.00 H new ATOM 0 HG3 GLU A 100 103.076 -3.338 5.911 1.00 1.00 H new ATOM 1444 N ILE A 101 105.559 0.498 3.907 1.00 1.00 N ATOM 1445 CA ILE A 101 106.448 1.627 3.761 1.00 1.00 C ATOM 1446 C ILE A 101 105.673 2.888 4.019 1.00 1.00 C ATOM 1447 O ILE A 101 104.543 3.045 3.569 1.00 1.00 O ATOM 1448 CB ILE A 101 107.152 1.601 2.396 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.316 2.222 1.269 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.436 0.139 2.058 1.00 1.00 C ATOM 1451 CD1 ILE A 101 107.186 2.283 0.022 1.00 1.00 C ATOM 0 H ILE A 101 104.754 0.499 3.280 1.00 1.00 H new ATOM 0 HA ILE A 101 107.251 1.578 4.496 1.00 1.00 H new ATOM 0 HB ILE A 101 108.061 2.197 2.471 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.423 1.625 1.083 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.979 3.220 1.549 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.937 0.080 1.092 1.00 1.00 H new ATOM 0 HG22 ILE A 101 108.076 -0.294 2.826 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.497 -0.413 2.014 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.617 2.721 -0.798 1.00 1.00 H new ATOM 0 HD12 ILE A 101 108.065 2.896 0.221 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.500 1.276 -0.252 1.00 1.00 H new ATOM 1458 N TYR A 102 106.290 3.764 4.789 1.00 1.00 N ATOM 1459 CA TYR A 102 105.673 5.002 5.188 1.00 1.00 C ATOM 1460 C TYR A 102 106.370 6.080 4.396 1.00 1.00 C ATOM 1461 O TYR A 102 107.538 6.388 4.626 1.00 1.00 O ATOM 1462 CB TYR A 102 105.892 5.217 6.693 1.00 1.00 C ATOM 1463 CG TYR A 102 105.406 4.013 7.515 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.826 2.701 7.211 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.534 4.211 8.595 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.381 1.621 7.967 1.00 1.00 C ATOM 1467 CE2 TYR A 102 104.090 3.118 9.358 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.515 1.823 9.043 1.00 1.00 C ATOM 1469 OH TYR A 102 104.074 0.751 9.794 1.00 1.00 O ATOM 0 H TYR A 102 107.234 3.632 5.153 1.00 1.00 H new ATOM 0 HA TYR A 102 104.599 5.007 5.003 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.951 5.386 6.886 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.362 6.114 7.013 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.499 2.533 6.383 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.202 5.209 8.842 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.707 0.621 7.720 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.419 3.278 10.189 1.00 1.00 H new ATOM 0 HH TYR A 102 103.679 0.077 9.202 1.00 1.00 H new ATOM 1479 N VAL A 103 105.675 6.560 3.381 1.00 1.00 N ATOM 1480 CA VAL A 103 106.263 7.510 2.444 1.00 1.00 C ATOM 1481 C VAL A 103 106.084 8.979 2.809 1.00 1.00 C ATOM 1482 O VAL A 103 104.966 9.493 2.777 1.00 1.00 O ATOM 1483 CB VAL A 103 105.680 7.300 1.053 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.576 7.974 0.019 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.584 5.806 0.749 1.00 1.00 C ATOM 0 H VAL A 103 104.706 6.311 3.182 1.00 1.00 H new ATOM 0 HA VAL A 103 107.333 7.304 2.481 1.00 1.00 H new ATOM 0 HB VAL A 103 104.683 7.738 1.013 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.159 7.824 -0.977 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.636 9.042 0.230 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.574 7.539 0.064 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.166 5.664 -0.248 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.578 5.361 0.793 1.00 1.00 H new ATOM 0 HG23 VAL A 103 104.939 5.326 1.485 1.00 1.00 H new ATOM 1489 N PRO A 104 107.171 9.677 3.083 1.00 1.00 N ATOM 1490 CA PRO A 104 107.118 11.133 3.371 1.00 1.00 C ATOM 1491 C PRO A 104 106.347 11.867 2.280 1.00 1.00 C ATOM 1492 O PRO A 104 106.372 11.471 1.115 1.00 1.00 O ATOM 1493 CB PRO A 104 108.598 11.555 3.379 1.00 1.00 C ATOM 1494 CG PRO A 104 109.372 10.312 3.703 1.00 1.00 C ATOM 1495 CD PRO A 104 108.554 9.148 3.180 1.00 1.00 C ATOM 0 HA PRO A 104 106.609 11.365 4.307 1.00 1.00 H new ATOM 0 HB2 PRO A 104 108.895 11.960 2.412 1.00 1.00 H new ATOM 0 HB3 PRO A 104 108.779 12.334 4.120 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.357 10.335 3.236 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.531 10.223 4.778 1.00 1.00 H new ATOM 0 HD2 PRO A 104 108.919 8.811 2.210 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.605 8.293 3.854 1.00 1.00 H new ATOM 1503 N SER A 105 105.640 12.911 2.671 1.00 1.00 N ATOM 1504 CA SER A 105 104.838 13.662 1.724 1.00 1.00 C ATOM 1505 C SER A 105 105.670 14.119 0.525 1.00 1.00 C ATOM 1506 O SER A 105 105.130 14.344 -0.558 1.00 1.00 O ATOM 1507 CB SER A 105 104.219 14.870 2.421 1.00 1.00 C ATOM 1508 OG SER A 105 105.218 15.862 2.616 1.00 1.00 O ATOM 0 H SER A 105 105.605 13.256 3.630 1.00 1.00 H new ATOM 0 HA SER A 105 104.049 13.008 1.352 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.403 15.272 1.821 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.793 14.573 3.379 1.00 1.00 H new ATOM 0 HG SER A 105 104.823 16.640 3.062 1.00 1.00 H new ATOM 1514 N GLY A 106 106.980 14.241 0.718 1.00 1.00 N ATOM 1515 CA GLY A 106 107.865 14.660 -0.365 1.00 1.00 C ATOM 1516 C GLY A 106 108.147 13.504 -1.304 1.00 1.00 C ATOM 1517 O GLY A 106 108.390 13.697 -2.496 1.00 1.00 O ATOM 0 H GLY A 106 107.449 14.058 1.605 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.408 15.481 -0.918 1.00 1.00 H new ATOM 0 HA3 GLY A 106 108.801 15.036 0.048 1.00 1.00 H new ATOM 1521 N LEU A 107 108.120 12.299 -0.751 1.00 1.00 N ATOM 1522 CA LEU A 107 108.387 11.094 -1.528 1.00 1.00 C ATOM 1523 C LEU A 107 107.094 10.383 -1.864 1.00 1.00 C ATOM 1524 O LEU A 107 107.123 9.297 -2.429 1.00 1.00 O ATOM 1525 CB LEU A 107 109.266 10.121 -0.729 1.00 1.00 C ATOM 1526 CG LEU A 107 110.542 10.811 -0.223 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.465 9.751 0.375 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.272 11.551 -1.355 1.00 1.00 C ATOM 0 H LEU A 107 107.916 12.129 0.234 1.00 1.00 H new ATOM 0 HA LEU A 107 108.898 11.399 -2.441 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.702 9.728 0.117 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.534 9.270 -1.356 1.00 1.00 H new ATOM 0 HG LEU A 107 110.264 11.549 0.529 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.376 10.226 0.739 1.00 1.00 H new ATOM 0 HD12 LEU A 107 110.959 9.253 1.203 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.719 9.017 -0.389 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.169 12.027 -0.959 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.551 10.841 -2.133 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.614 12.311 -1.776 1.00 1.00 H new ATOM 1540 N ALA A 108 105.959 10.966 -1.471 1.00 1.00 N ATOM 1541 CA ALA A 108 104.670 10.350 -1.706 1.00 1.00 C ATOM 1542 C ALA A 108 103.928 11.094 -2.801 1.00 1.00 C ATOM 1543 O ALA A 108 104.209 10.896 -3.980 1.00 1.00 O ATOM 1544 CB ALA A 108 103.832 10.360 -0.430 1.00 1.00 C ATOM 0 H ALA A 108 105.916 11.864 -0.989 1.00 1.00 H new ATOM 0 HA ALA A 108 104.835 9.318 -2.016 1.00 1.00 H new ATOM 0 HB1 ALA A 108 102.867 9.893 -0.625 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.352 9.805 0.351 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.678 11.389 -0.104 1.00 1.00 H new ATOM 1550 N TYR A 109 102.952 11.930 -2.420 1.00 1.00 N ATOM 1551 CA TYR A 109 102.153 12.649 -3.404 1.00 1.00 C ATOM 1552 C TYR A 109 102.446 14.150 -3.458 1.00 1.00 C ATOM 1553 O TYR A 109 101.802 14.879 -4.210 1.00 1.00 O ATOM 1554 CB TYR A 109 100.674 12.348 -3.156 1.00 1.00 C ATOM 1555 CG TYR A 109 100.439 10.967 -3.712 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.248 9.897 -2.856 1.00 1.00 C ATOM 1557 CD2 TYR A 109 100.497 10.760 -5.100 1.00 1.00 C ATOM 1558 CE1 TYR A 109 100.118 8.623 -3.367 1.00 1.00 C ATOM 1559 CE2 TYR A 109 100.364 9.484 -5.618 1.00 1.00 C ATOM 1560 CZ TYR A 109 100.180 8.403 -4.741 1.00 1.00 C ATOM 1561 OH TYR A 109 100.064 7.125 -5.217 1.00 1.00 O ATOM 0 H TYR A 109 102.704 12.119 -1.449 1.00 1.00 H new ATOM 0 HA TYR A 109 102.433 12.290 -4.394 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.440 12.387 -2.092 1.00 1.00 H new ATOM 0 HB3 TYR A 109 100.037 13.082 -3.649 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.201 10.059 -1.789 1.00 1.00 H new ATOM 0 HD2 TYR A 109 100.646 11.599 -5.764 1.00 1.00 H new ATOM 0 HE1 TYR A 109 99.967 7.790 -2.697 1.00 1.00 H new ATOM 0 HE2 TYR A 109 100.401 9.321 -6.685 1.00 1.00 H new ATOM 0 HH TYR A 109 100.126 7.133 -6.195 1.00 1.00 H new ATOM 1571 N GLY A 110 103.452 14.602 -2.702 1.00 1.00 N ATOM 1572 CA GLY A 110 103.853 16.019 -2.730 1.00 1.00 C ATOM 1573 C GLY A 110 103.545 16.758 -1.428 1.00 1.00 C ATOM 1574 O GLY A 110 102.749 16.296 -0.610 1.00 1.00 O ATOM 0 H GLY A 110 104.000 14.018 -2.070 1.00 1.00 H new ATOM 0 HA2 GLY A 110 104.922 16.083 -2.933 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.342 16.518 -3.553 1.00 1.00 H new ATOM 1578 N PRO A 111 104.169 17.906 -1.240 1.00 1.00 N ATOM 1579 CA PRO A 111 103.979 18.760 -0.029 1.00 1.00 C ATOM 1580 C PRO A 111 102.608 19.432 -0.001 1.00 1.00 C ATOM 1581 O PRO A 111 102.155 19.891 1.043 1.00 1.00 O ATOM 1582 CB PRO A 111 105.097 19.798 -0.139 1.00 1.00 C ATOM 1583 CG PRO A 111 105.373 19.908 -1.602 1.00 1.00 C ATOM 1584 CD PRO A 111 105.126 18.519 -2.183 1.00 1.00 C ATOM 0 HA PRO A 111 104.021 18.177 0.891 1.00 1.00 H new ATOM 0 HB2 PRO A 111 104.789 20.757 0.279 1.00 1.00 H new ATOM 0 HB3 PRO A 111 105.985 19.482 0.408 1.00 1.00 H new ATOM 0 HG2 PRO A 111 104.721 20.647 -2.067 1.00 1.00 H new ATOM 0 HG3 PRO A 111 106.399 20.229 -1.782 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.714 18.575 -3.191 1.00 1.00 H new ATOM 0 HD3 PRO A 111 106.049 17.943 -2.247 1.00 1.00 H new ATOM 1592 N ARG A 112 101.967 19.493 -1.163 1.00 1.00 N ATOM 1593 CA ARG A 112 100.646 20.109 -1.294 1.00 1.00 C ATOM 1594 C ARG A 112 99.576 19.037 -1.414 1.00 1.00 C ATOM 1595 O ARG A 112 99.881 17.854 -1.556 1.00 1.00 O ATOM 1596 CB ARG A 112 100.589 21.003 -2.539 1.00 1.00 C ATOM 1597 CG ARG A 112 101.302 22.332 -2.281 1.00 1.00 C ATOM 1598 CD ARG A 112 101.140 23.218 -3.516 1.00 1.00 C ATOM 1599 NE ARG A 112 101.674 24.552 -3.267 1.00 1.00 N ATOM 1600 CZ ARG A 112 101.452 25.546 -4.120 1.00 1.00 C ATOM 1601 NH1 ARG A 112 100.782 25.320 -5.217 1.00 1.00 N ATOM 1602 NH2 ARG A 112 101.913 26.741 -3.866 1.00 1.00 N ATOM 0 H ARG A 112 102.342 19.121 -2.036 1.00 1.00 H new ATOM 0 HA ARG A 112 100.467 20.713 -0.404 1.00 1.00 H new ATOM 0 HB2 ARG A 112 101.055 20.492 -3.382 1.00 1.00 H new ATOM 0 HB3 ARG A 112 99.550 21.189 -2.813 1.00 1.00 H new ATOM 0 HG2 ARG A 112 100.881 22.824 -1.404 1.00 1.00 H new ATOM 0 HG3 ARG A 112 102.358 22.161 -2.074 1.00 1.00 H new ATOM 0 HD2 ARG A 112 101.656 22.767 -4.364 1.00 1.00 H new ATOM 0 HD3 ARG A 112 100.086 23.287 -3.784 1.00 1.00 H new ATOM 0 HE ARG A 112 102.225 24.724 -2.426 1.00 1.00 H new ATOM 0 HH11 ARG A 112 100.431 24.383 -5.417 1.00 1.00 H new ATOM 0 HH12 ARG A 112 100.609 26.080 -5.875 1.00 1.00 H new ATOM 0 HH21 ARG A 112 102.444 26.912 -3.012 1.00 1.00 H new ATOM 0 HH22 ARG A 112 101.742 27.504 -4.522 1.00 1.00 H new ATOM 1616 N SER A 113 98.322 19.462 -1.364 1.00 1.00 N ATOM 1617 CA SER A 113 97.217 18.531 -1.484 1.00 1.00 C ATOM 1618 C SER A 113 97.081 18.060 -2.927 1.00 1.00 C ATOM 1619 O SER A 113 96.485 18.749 -3.755 1.00 1.00 O ATOM 1620 CB SER A 113 95.920 19.209 -1.054 1.00 1.00 C ATOM 1621 OG SER A 113 96.177 20.014 0.084 1.00 1.00 O ATOM 0 H SER A 113 98.049 20.437 -1.242 1.00 1.00 H new ATOM 0 HA SER A 113 97.413 17.673 -0.841 1.00 1.00 H new ATOM 0 HB2 SER A 113 95.527 19.820 -1.867 1.00 1.00 H new ATOM 0 HB3 SER A 113 95.162 18.460 -0.823 1.00 1.00 H new ATOM 0 HG SER A 113 95.681 20.856 0.008 1.00 1.00 H new ATOM 1627 N VAL A 114 97.643 16.891 -3.228 1.00 1.00 N ATOM 1628 CA VAL A 114 97.582 16.342 -4.588 1.00 1.00 C ATOM 1629 C VAL A 114 96.660 15.126 -4.643 1.00 1.00 C ATOM 1630 O VAL A 114 97.100 14.020 -4.959 1.00 1.00 O ATOM 1631 CB VAL A 114 98.987 15.937 -5.051 1.00 1.00 C ATOM 1632 CG1 VAL A 114 98.974 15.690 -6.561 1.00 1.00 C ATOM 1633 CG2 VAL A 114 99.986 17.049 -4.719 1.00 1.00 C ATOM 0 H VAL A 114 98.143 16.307 -2.557 1.00 1.00 H new ATOM 0 HA VAL A 114 97.185 17.113 -5.249 1.00 1.00 H new ATOM 0 HB VAL A 114 99.287 15.024 -4.536 1.00 1.00 H new ATOM 0 HG11 VAL A 114 99.972 15.402 -6.891 1.00 1.00 H new ATOM 0 HG12 VAL A 114 98.270 14.890 -6.793 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.670 16.601 -7.076 1.00 1.00 H new ATOM 0 HG21 VAL A 114 100.982 16.755 -5.051 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.691 17.967 -5.227 1.00 1.00 H new ATOM 0 HG23 VAL A 114 99.997 17.218 -3.642 1.00 1.00 H new ATOM 1637 N GLY A 115 95.381 15.332 -4.323 1.00 1.00 N ATOM 1638 CA GLY A 115 94.416 14.233 -4.341 1.00 1.00 C ATOM 1639 C GLY A 115 93.097 14.627 -3.674 1.00 1.00 C ATOM 1640 O GLY A 115 92.855 15.799 -3.386 1.00 1.00 O ATOM 0 H GLY A 115 94.994 16.236 -4.052 1.00 1.00 H new ATOM 0 HA2 GLY A 115 94.227 13.932 -5.371 1.00 1.00 H new ATOM 0 HA3 GLY A 115 94.839 13.369 -3.829 1.00 1.00 H new ATOM 1644 N GLY A 116 92.250 13.623 -3.432 1.00 1.00 N ATOM 1645 CA GLY A 116 90.947 13.833 -2.797 1.00 1.00 C ATOM 1646 C GLY A 116 91.098 14.209 -1.316 1.00 1.00 C ATOM 1647 O GLY A 116 91.449 15.348 -1.007 1.00 1.00 O ATOM 0 H GLY A 116 92.446 12.650 -3.668 1.00 1.00 H new ATOM 0 HA2 GLY A 116 90.409 14.623 -3.321 1.00 1.00 H new ATOM 0 HA3 GLY A 116 90.348 12.927 -2.884 1.00 1.00 H new ATOM 1651 N PRO A 117 90.827 13.302 -0.389 1.00 1.00 N ATOM 1652 CA PRO A 117 90.921 13.603 1.074 1.00 1.00 C ATOM 1653 C PRO A 117 92.320 14.050 1.465 1.00 1.00 C ATOM 1654 O PRO A 117 92.509 14.669 2.512 1.00 1.00 O ATOM 1655 CB PRO A 117 90.541 12.286 1.758 1.00 1.00 C ATOM 1656 CG PRO A 117 90.796 11.259 0.720 1.00 1.00 C ATOM 1657 CD PRO A 117 90.428 11.903 -0.599 1.00 1.00 C ATOM 0 HA PRO A 117 90.268 14.425 1.367 1.00 1.00 H new ATOM 0 HB2 PRO A 117 91.143 12.111 2.650 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.497 12.286 2.073 1.00 1.00 H new ATOM 0 HG2 PRO A 117 91.841 10.949 0.725 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.198 10.366 0.899 1.00 1.00 H new ATOM 0 HD2 PRO A 117 90.961 11.450 -1.435 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.363 11.812 -0.813 1.00 1.00 H new ATOM 1665 N ILE A 118 93.296 13.742 0.618 1.00 1.00 N ATOM 1666 CA ILE A 118 94.658 14.136 0.912 1.00 1.00 C ATOM 1667 C ILE A 118 94.760 15.649 0.865 1.00 1.00 C ATOM 1668 O ILE A 118 94.628 16.258 -0.193 1.00 1.00 O ATOM 1669 CB ILE A 118 95.635 13.562 -0.128 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.408 12.043 -0.327 1.00 1.00 C ATOM 1671 CG2 ILE A 118 97.060 13.808 0.357 1.00 1.00 C ATOM 1672 CD1 ILE A 118 94.506 11.771 -1.544 1.00 1.00 C ATOM 0 H ILE A 118 93.170 13.233 -0.257 1.00 1.00 H new ATOM 0 HA ILE A 118 94.916 13.754 1.900 1.00 1.00 H new ATOM 0 HB ILE A 118 95.466 14.056 -1.085 1.00 1.00 H new ATOM 0 HG12 ILE A 118 96.367 11.544 -0.463 1.00 1.00 H new ATOM 0 HG13 ILE A 118 94.953 11.620 0.568 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.766 13.407 -0.370 1.00 1.00 H new ATOM 0 HG22 ILE A 118 97.226 14.879 0.471 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.208 13.314 1.317 1.00 1.00 H new ATOM 0 HD11 ILE A 118 94.364 10.696 -1.659 1.00 1.00 H new ATOM 0 HD12 ILE A 118 93.539 12.251 -1.394 1.00 1.00 H new ATOM 0 HD13 ILE A 118 94.975 12.173 -2.442 1.00 1.00 H new ATOM 1679 N GLY A 119 95.003 16.239 2.023 1.00 1.00 N ATOM 1680 CA GLY A 119 95.137 17.676 2.141 1.00 1.00 C ATOM 1681 C GLY A 119 96.593 18.098 1.963 1.00 1.00 C ATOM 1682 O GLY A 119 97.420 17.322 1.486 1.00 1.00 O ATOM 0 H GLY A 119 95.112 15.735 2.903 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.517 18.167 1.391 1.00 1.00 H new ATOM 0 HA3 GLY A 119 94.775 18.001 3.117 1.00 1.00 H new ATOM 1686 N PRO A 120 96.922 19.307 2.338 1.00 1.00 N ATOM 1687 CA PRO A 120 98.320 19.831 2.218 1.00 1.00 C ATOM 1688 C PRO A 120 99.331 19.061 3.075 1.00 1.00 C ATOM 1689 O PRO A 120 98.998 18.525 4.125 1.00 1.00 O ATOM 1690 CB PRO A 120 98.215 21.288 2.694 1.00 1.00 C ATOM 1691 CG PRO A 120 96.953 21.353 3.493 1.00 1.00 C ATOM 1692 CD PRO A 120 96.008 20.315 2.912 1.00 1.00 C ATOM 0 HA PRO A 120 98.688 19.728 1.197 1.00 1.00 H new ATOM 0 HB2 PRO A 120 99.078 21.567 3.299 1.00 1.00 H new ATOM 0 HB3 PRO A 120 98.181 21.976 1.849 1.00 1.00 H new ATOM 0 HG2 PRO A 120 97.151 21.149 4.545 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.513 22.349 3.439 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.364 19.884 3.678 1.00 1.00 H new ATOM 0 HD3 PRO A 120 95.356 20.745 2.152 1.00 1.00 H new ATOM 1700 N ASN A 121 100.580 19.052 2.623 1.00 1.00 N ATOM 1701 CA ASN A 121 101.666 18.398 3.350 1.00 1.00 C ATOM 1702 C ASN A 121 101.204 17.108 4.018 1.00 1.00 C ATOM 1703 O ASN A 121 101.383 16.924 5.223 1.00 1.00 O ATOM 1704 CB ASN A 121 102.222 19.362 4.406 1.00 1.00 C ATOM 1705 CG ASN A 121 103.656 18.986 4.769 1.00 1.00 C ATOM 1706 OD1 ASN A 121 103.929 18.575 5.975 1.00 1.00 O flip ATOM 1707 ND2 ASN A 121 104.549 19.065 3.924 1.00 1.00 N flip ATOM 0 H ASN A 121 100.869 19.493 1.750 1.00 1.00 H new ATOM 0 HA ASN A 121 102.445 18.136 2.634 1.00 1.00 H new ATOM 0 HB2 ASN A 121 102.192 20.383 4.026 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.596 19.335 5.298 1.00 1.00 H new ATOM 0 HD21 ASN A 121 104.332 19.387 2.981 1.00 1.00 H new ATOM 0 HD22 ASN A 121 105.506 18.808 4.167 1.00 1.00 H new ATOM 1714 N GLU A 122 100.612 16.222 3.231 1.00 1.00 N ATOM 1715 CA GLU A 122 100.124 14.948 3.753 1.00 1.00 C ATOM 1716 C GLU A 122 101.117 13.826 3.517 1.00 1.00 C ATOM 1717 O GLU A 122 101.592 13.617 2.401 1.00 1.00 O ATOM 1718 CB GLU A 122 98.811 14.563 3.068 1.00 1.00 C ATOM 1719 CG GLU A 122 97.629 15.303 3.674 1.00 1.00 C ATOM 1720 CD GLU A 122 97.400 14.853 5.115 1.00 1.00 C ATOM 1721 OE1 GLU A 122 96.585 15.466 5.781 1.00 1.00 O ATOM 1722 OE2 GLU A 122 98.035 13.895 5.527 1.00 1.00 O ATOM 0 H GLU A 122 100.457 16.358 2.232 1.00 1.00 H new ATOM 0 HA GLU A 122 99.978 15.081 4.825 1.00 1.00 H new ATOM 0 HB2 GLU A 122 98.875 14.788 2.003 1.00 1.00 H new ATOM 0 HB3 GLU A 122 98.654 13.488 3.158 1.00 1.00 H new ATOM 0 HG2 GLU A 122 97.812 16.377 3.647 1.00 1.00 H new ATOM 0 HG3 GLU A 122 96.733 15.117 3.082 1.00 1.00 H new ATOM 1729 N THR A 123 101.368 13.063 4.569 1.00 1.00 N ATOM 1730 CA THR A 123 102.234 11.906 4.463 1.00 1.00 C ATOM 1731 C THR A 123 101.349 10.694 4.244 1.00 1.00 C ATOM 1732 O THR A 123 100.405 10.460 4.996 1.00 1.00 O ATOM 1733 CB THR A 123 103.052 11.727 5.740 1.00 1.00 C ATOM 1734 OG1 THR A 123 103.895 12.857 5.924 1.00 1.00 O ATOM 1735 CG2 THR A 123 103.904 10.463 5.621 1.00 1.00 C ATOM 0 H THR A 123 100.985 13.225 5.500 1.00 1.00 H new ATOM 0 HA THR A 123 102.932 12.034 3.636 1.00 1.00 H new ATOM 0 HB THR A 123 102.382 11.634 6.595 1.00 1.00 H new ATOM 0 HG1 THR A 123 104.042 13.003 6.882 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.490 10.332 6.531 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.255 9.599 5.479 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.576 10.556 4.768 1.00 1.00 H new ATOM 1743 N LEU A 124 101.647 9.930 3.205 1.00 1.00 N ATOM 1744 CA LEU A 124 100.857 8.743 2.878 1.00 1.00 C ATOM 1745 C LEU A 124 101.685 7.481 3.089 1.00 1.00 C ATOM 1746 O LEU A 124 102.872 7.440 2.761 1.00 1.00 O ATOM 1747 CB LEU A 124 100.407 8.779 1.400 1.00 1.00 C ATOM 1748 CG LEU A 124 99.531 10.009 1.050 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.564 10.344 2.170 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.395 11.231 0.758 1.00 1.00 C ATOM 0 H LEU A 124 102.427 10.106 2.572 1.00 1.00 H new ATOM 0 HA LEU A 124 99.985 8.736 3.532 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.289 8.777 0.760 1.00 1.00 H new ATOM 0 HB3 LEU A 124 99.849 7.870 1.176 1.00 1.00 H new ATOM 0 HG LEU A 124 98.961 9.745 0.159 1.00 1.00 H new ATOM 0 HD11 LEU A 124 97.967 11.211 1.888 1.00 1.00 H new ATOM 0 HD12 LEU A 124 97.906 9.494 2.349 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.123 10.568 3.079 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.755 12.079 0.515 1.00 1.00 H new ATOM 0 HD22 LEU A 124 100.997 11.469 1.635 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.052 11.019 -0.086 1.00 1.00 H new ATOM 1762 N ILE A 125 101.036 6.445 3.618 1.00 1.00 N ATOM 1763 CA ILE A 125 101.676 5.160 3.855 1.00 1.00 C ATOM 1764 C ILE A 125 100.954 4.114 3.052 1.00 1.00 C ATOM 1765 O ILE A 125 99.737 4.185 2.893 1.00 1.00 O ATOM 1766 CB ILE A 125 101.580 4.763 5.340 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.853 3.242 5.486 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.169 5.094 5.896 1.00 1.00 C ATOM 1769 CD1 ILE A 125 102.084 2.854 6.941 1.00 1.00 C ATOM 0 H ILE A 125 100.054 6.476 3.892 1.00 1.00 H new ATOM 0 HA ILE A 125 102.725 5.235 3.570 1.00 1.00 H new ATOM 0 HB ILE A 125 102.322 5.326 5.906 1.00 1.00 H new ATOM 0 HG12 ILE A 125 101.008 2.680 5.088 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.726 2.969 4.893 1.00 1.00 H new ATOM 0 HG21 ILE A 125 100.116 4.808 6.946 1.00 1.00 H new ATOM 0 HG22 ILE A 125 99.982 6.164 5.801 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.417 4.543 5.331 1.00 1.00 H new ATOM 0 HD11 ILE A 125 102.272 1.782 7.006 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.945 3.398 7.330 1.00 1.00 H new ATOM 0 HD13 ILE A 125 101.201 3.104 7.529 1.00 1.00 H new ATOM 1776 N PHE A 126 101.694 3.117 2.591 1.00 1.00 N ATOM 1777 CA PHE A 126 101.089 2.028 1.856 1.00 1.00 C ATOM 1778 C PHE A 126 101.616 0.706 2.351 1.00 1.00 C ATOM 1779 O PHE A 126 102.788 0.581 2.706 1.00 1.00 O ATOM 1780 CB PHE A 126 101.353 2.146 0.361 1.00 1.00 C ATOM 1781 CG PHE A 126 101.293 3.589 -0.029 1.00 1.00 C ATOM 1782 CD1 PHE A 126 100.226 4.076 -0.783 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.308 4.444 0.383 1.00 1.00 C ATOM 1784 CE1 PHE A 126 100.177 5.430 -1.120 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.264 5.789 0.050 1.00 1.00 C ATOM 1786 CZ PHE A 126 101.202 6.287 -0.698 1.00 1.00 C ATOM 0 H PHE A 126 102.704 3.043 2.713 1.00 1.00 H new ATOM 0 HA PHE A 126 100.013 2.082 2.022 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.330 1.730 0.117 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.614 1.573 -0.199 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.441 3.408 -1.105 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.133 4.060 0.964 1.00 1.00 H new ATOM 0 HE1 PHE A 126 99.353 5.815 -1.703 1.00 1.00 H new ATOM 0 HE2 PHE A 126 103.055 6.451 0.371 1.00 1.00 H new ATOM 0 HZ PHE A 126 101.168 7.336 -0.954 1.00 1.00 H new ATOM 1796 N LYS A 127 100.752 -0.293 2.340 1.00 1.00 N ATOM 1797 CA LYS A 127 101.128 -1.619 2.753 1.00 1.00 C ATOM 1798 C LYS A 127 101.380 -2.359 1.472 1.00 1.00 C ATOM 1799 O LYS A 127 100.522 -2.363 0.607 1.00 1.00 O ATOM 1800 CB LYS A 127 99.991 -2.280 3.583 1.00 1.00 C ATOM 1801 CG LYS A 127 98.929 -1.245 4.005 1.00 1.00 C ATOM 1802 CD LYS A 127 99.507 -0.180 4.973 1.00 1.00 C ATOM 1803 CE LYS A 127 98.464 0.917 5.205 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.983 1.889 6.204 1.00 1.00 N ATOM 0 H LYS A 127 99.780 -0.202 2.046 1.00 1.00 H new ATOM 0 HA LYS A 127 102.006 -1.623 3.399 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.520 -3.068 2.995 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.413 -2.753 4.470 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.532 -0.751 3.118 1.00 1.00 H new ATOM 0 HG3 LYS A 127 98.095 -1.757 4.485 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.780 -0.644 5.921 1.00 1.00 H new ATOM 0 HD3 LYS A 127 100.417 0.251 4.556 1.00 1.00 H new ATOM 0 HE2 LYS A 127 98.241 1.426 4.267 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.531 0.478 5.559 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 98.337 1.928 7.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 99.926 1.588 6.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 99.050 2.831 5.769 1.00 1.00 H new ATOM 1818 N ILE A 128 102.585 -2.895 1.294 1.00 1.00 N ATOM 1819 CA ILE A 128 102.908 -3.536 0.012 1.00 1.00 C ATOM 1820 C ILE A 128 103.180 -5.027 0.140 1.00 1.00 C ATOM 1821 O ILE A 128 104.099 -5.465 0.831 1.00 1.00 O ATOM 1822 CB ILE A 128 104.108 -2.815 -0.635 1.00 1.00 C ATOM 1823 CG1 ILE A 128 103.982 -1.301 -0.335 1.00 1.00 C ATOM 1824 CG2 ILE A 128 104.063 -3.044 -2.153 1.00 1.00 C ATOM 1825 CD1 ILE A 128 105.109 -0.493 -0.997 1.00 1.00 C ATOM 0 H ILE A 128 103.332 -2.903 1.989 1.00 1.00 H new ATOM 0 HA ILE A 128 102.030 -3.445 -0.628 1.00 1.00 H new ATOM 0 HB ILE A 128 105.048 -3.197 -0.238 1.00 1.00 H new ATOM 0 HG12 ILE A 128 103.018 -0.939 -0.691 1.00 1.00 H new ATOM 0 HG13 ILE A 128 104.005 -1.141 0.743 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.907 -2.539 -2.622 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.118 -4.112 -2.362 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.132 -2.644 -2.554 1.00 1.00 H new ATOM 0 HD11 ILE A 128 104.985 0.564 -0.763 1.00 1.00 H new ATOM 0 HD12 ILE A 128 106.073 -0.837 -0.621 1.00 1.00 H new ATOM 0 HD13 ILE A 128 105.070 -0.632 -2.077 1.00 1.00 H new ATOM 1832 N HIS A 129 102.357 -5.790 -0.578 1.00 1.00 N ATOM 1833 CA HIS A 129 102.454 -7.243 -0.622 1.00 1.00 C ATOM 1834 C HIS A 129 102.936 -7.653 -2.007 1.00 1.00 C ATOM 1835 O HIS A 129 102.325 -7.280 -3.007 1.00 1.00 O ATOM 1836 CB HIS A 129 101.075 -7.839 -0.353 1.00 1.00 C ATOM 1837 CG HIS A 129 101.110 -9.322 -0.583 1.00 1.00 C ATOM 1838 ND1 HIS A 129 100.053 -9.988 -1.179 1.00 1.00 N ATOM 1839 CD2 HIS A 129 102.078 -10.274 -0.353 1.00 1.00 C ATOM 1840 CE1 HIS A 129 100.402 -11.276 -1.299 1.00 1.00 C ATOM 1841 NE2 HIS A 129 101.624 -11.510 -0.818 1.00 1.00 N ATOM 0 H HIS A 129 101.600 -5.412 -1.148 1.00 1.00 H new ATOM 0 HA HIS A 129 103.154 -7.605 0.131 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.771 -7.628 0.672 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.335 -7.377 -1.007 1.00 1.00 H new ATOM 0 HD2 HIS A 129 103.036 -10.094 0.113 1.00 1.00 H new ATOM 0 HE1 HIS A 129 99.769 -12.035 -1.734 1.00 1.00 H new ATOM 0 HE2 HIS A 129 102.120 -12.401 -0.795 1.00 1.00 H new ATOM 1849 N LEU A 130 104.048 -8.389 -2.079 1.00 1.00 N ATOM 1850 CA LEU A 130 104.593 -8.786 -3.380 1.00 1.00 C ATOM 1851 C LEU A 130 104.138 -10.186 -3.800 1.00 1.00 C ATOM 1852 O LEU A 130 104.513 -11.184 -3.185 1.00 1.00 O ATOM 1853 CB LEU A 130 106.130 -8.715 -3.335 1.00 1.00 C ATOM 1854 CG LEU A 130 106.683 -8.042 -4.597 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.210 -7.939 -4.512 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.308 -8.840 -5.852 1.00 1.00 C ATOM 0 H LEU A 130 104.579 -8.716 -1.272 1.00 1.00 H new ATOM 0 HA LEU A 130 104.210 -8.091 -4.127 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.447 -8.159 -2.453 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.542 -9.720 -3.243 1.00 1.00 H new ATOM 0 HG LEU A 130 106.246 -7.046 -4.664 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.593 -7.460 -5.413 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.487 -7.346 -3.640 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.638 -8.938 -4.423 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.712 -8.342 -6.734 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.723 -9.846 -5.781 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.223 -8.900 -5.934 1.00 1.00 H new ATOM 1868 N ILE A 131 103.331 -10.240 -4.864 1.00 1.00 N ATOM 1869 CA ILE A 131 102.831 -11.503 -5.388 1.00 1.00 C ATOM 1870 C ILE A 131 103.693 -12.003 -6.552 1.00 1.00 C ATOM 1871 O ILE A 131 104.043 -13.182 -6.604 1.00 1.00 O ATOM 1872 CB ILE A 131 101.379 -11.319 -5.846 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.476 -11.042 -4.634 1.00 1.00 C ATOM 1874 CG2 ILE A 131 100.885 -12.597 -6.516 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.449 -9.565 -4.283 1.00 1.00 C ATOM 0 H ILE A 131 103.012 -9.418 -5.377 1.00 1.00 H new ATOM 0 HA ILE A 131 102.877 -12.252 -4.597 1.00 1.00 H new ATOM 0 HB ILE A 131 101.341 -10.482 -6.543 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.464 -11.384 -4.848 1.00 1.00 H new ATOM 0 HG13 ILE A 131 100.831 -11.614 -3.777 1.00 1.00 H new ATOM 0 HG21 ILE A 131 99.853 -12.462 -6.840 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.511 -12.820 -7.380 1.00 1.00 H new ATOM 0 HG23 ILE A 131 100.938 -13.423 -5.807 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.800 -9.408 -3.421 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.458 -9.229 -4.044 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.069 -8.996 -5.132 1.00 1.00 H new ATOM 1882 N SER A 132 104.010 -11.115 -7.507 1.00 1.00 N ATOM 1883 CA SER A 132 104.809 -11.517 -8.675 1.00 1.00 C ATOM 1884 C SER A 132 105.707 -10.377 -9.162 1.00 1.00 C ATOM 1885 O SER A 132 105.452 -9.204 -8.889 1.00 1.00 O ATOM 1886 CB SER A 132 103.879 -11.981 -9.805 1.00 1.00 C ATOM 1887 OG SER A 132 103.762 -10.952 -10.783 1.00 1.00 O ATOM 0 H SER A 132 103.732 -10.134 -7.496 1.00 1.00 H new ATOM 0 HA SER A 132 105.456 -12.341 -8.375 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.272 -12.889 -10.263 1.00 1.00 H new ATOM 0 HB3 SER A 132 102.896 -12.227 -9.403 1.00 1.00 H new ATOM 0 HG SER A 132 103.169 -11.251 -11.504 1.00 1.00 H new ATOM 1893 N VAL A 133 106.798 -10.742 -9.850 1.00 1.00 N ATOM 1894 CA VAL A 133 107.772 -9.762 -10.339 1.00 1.00 C ATOM 1895 C VAL A 133 108.068 -9.953 -11.823 1.00 1.00 C ATOM 1896 O VAL A 133 108.143 -11.077 -12.319 1.00 1.00 O ATOM 1897 CB VAL A 133 109.068 -9.888 -9.546 1.00 1.00 C ATOM 1898 CG1 VAL A 133 110.054 -8.818 -10.027 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.738 -9.663 -8.076 1.00 1.00 C ATOM 0 H VAL A 133 107.026 -11.709 -10.079 1.00 1.00 H new ATOM 0 HA VAL A 133 107.342 -8.769 -10.204 1.00 1.00 H new ATOM 0 HB VAL A 133 109.516 -10.872 -9.685 1.00 1.00 H new ATOM 0 HG11 VAL A 133 110.984 -8.901 -9.465 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.258 -8.961 -11.088 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.623 -7.829 -9.871 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.648 -9.747 -7.482 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.311 -8.668 -7.947 1.00 1.00 H new ATOM 0 HG23 VAL A 133 108.018 -10.412 -7.746 1.00 1.00 H new ATOM 1903 N LYS A 134 108.237 -8.837 -12.528 1.00 1.00 N ATOM 1904 CA LYS A 134 108.530 -8.865 -13.951 1.00 1.00 C ATOM 1905 C LYS A 134 110.022 -8.640 -14.202 1.00 1.00 C ATOM 1906 O LYS A 134 110.872 -8.940 -13.363 1.00 1.00 O ATOM 1907 CB LYS A 134 107.752 -7.742 -14.621 1.00 1.00 C ATOM 1908 CG LYS A 134 107.386 -8.103 -16.074 1.00 1.00 C ATOM 1909 CD LYS A 134 106.050 -8.852 -16.093 1.00 1.00 C ATOM 1910 CE LYS A 134 105.819 -9.518 -17.465 1.00 1.00 C ATOM 1911 NZ LYS A 134 104.390 -9.350 -17.857 1.00 1.00 N ATOM 0 H LYS A 134 108.175 -7.900 -12.131 1.00 1.00 H new ATOM 0 HA LYS A 134 108.248 -9.838 -14.354 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.843 -7.538 -14.055 1.00 1.00 H new ATOM 0 HB3 LYS A 134 108.346 -6.828 -14.610 1.00 1.00 H new ATOM 0 HG2 LYS A 134 107.317 -7.198 -16.678 1.00 1.00 H new ATOM 0 HG3 LYS A 134 108.168 -8.721 -16.514 1.00 1.00 H new ATOM 0 HD2 LYS A 134 106.041 -9.609 -15.309 1.00 1.00 H new ATOM 0 HD3 LYS A 134 105.236 -8.160 -15.877 1.00 1.00 H new ATOM 0 HE2 LYS A 134 106.470 -9.068 -18.215 1.00 1.00 H new ATOM 0 HE3 LYS A 134 106.073 -10.577 -17.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 104.229 -9.798 -18.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 103.780 -9.798 -17.144 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 104.164 -8.337 -17.919 1.00 1.00 H new