USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 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 73 HIS : no HD1:sc= -0.071 K(o=-0.071,f=-2.4!) USER MOD Set 1.2: A 81 SER OG : rot -150:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.053 USER MOD Single : A 8 THR OG1 : rot -167:sc= -0.0112 USER MOD Single : A 19 ASN : amide:sc= -2.27! C(o=-2.3!,f=-5.1!) USER MOD Single : A 21 THR OG1 : rot -88:sc= 0.676 USER MOD Single : A 22 GLN :FLIP amide:sc= -2.45 F(o=-3.2!,f=-2.5) USER MOD Single : A 23 ASN : amide:sc= -0.425 K(o=-0.42,f=-6.2!) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.07 F(o=-4.6,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0313 F(o=-1.1,f=-0.031) USER MOD Single : A 32 SER OG : rot 180:sc= -0.113 USER MOD Single : A 33 MET CE :methyl 135:sc= -0.236 (180deg=-1.44) USER MOD Single : A 36 SER OG : rot 180:sc= -0.267 USER MOD Single : A 38 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.238 USER MOD Single : A 43 MET CE :methyl -150:sc= -0.181 (180deg=-1.55!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 134:sc= -0.351 USER MOD Single : A 53 ASN :FLIP amide:sc= 1.48 F(o=-1.7!,f=1.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.5!) USER MOD Single : A 66 MET CE :methyl -165:sc= -0.589 (180deg=-1.4) USER MOD Single : A 68 SER OG : rot 77:sc= 0.43 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -1.07 (180deg=-1.71) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 79 GLN : amide:sc= -0.171 K(o=-0.17,f=-1) USER MOD Single : A 82 SER OG : rot -35:sc= 0.473 USER MOD Single : A 84 HIS : no HD1:sc= -4! C(o=-4!,f=-4.7!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 89 LYS NZ :NH3+ -108:sc= -0.975! (180deg=-3.24!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0255 (180deg=-0.294) USER MOD Single : A 102 HIS : no HD1:sc= -3.78 K(o=-3.8,f=-4.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 160:sc= -0.0542 (180deg=-0.582) USER MOD Single : A 113 ASN : amide:sc= -0.0149 K(o=-0.015,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 18.434 4.410 3.568 1.00 0.00 N ATOM 58 CA PRO A 5 18.388 5.111 2.253 1.00 0.00 C ATOM 59 C PRO A 5 17.033 4.911 1.540 1.00 0.00 C ATOM 60 O PRO A 5 16.257 4.053 1.913 1.00 0.00 O ATOM 61 CB PRO A 5 19.541 4.449 1.466 1.00 0.00 C ATOM 62 CG PRO A 5 20.186 3.364 2.354 1.00 0.00 C ATOM 63 CD PRO A 5 19.530 3.413 3.747 1.00 0.00 C ATOM 0 HA PRO A 5 18.494 6.192 2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.164 4.008 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.283 5.196 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 5 20.050 2.379 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.260 3.532 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.144 2.438 4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.237 3.725 4.515 1.00 0.00 H new ATOM 71 N PRO A 6 16.750 5.694 0.522 1.00 0.00 N ATOM 72 CA PRO A 6 15.462 5.561 -0.221 1.00 0.00 C ATOM 73 C PRO A 6 15.330 4.201 -0.923 1.00 0.00 C ATOM 74 O PRO A 6 14.335 3.515 -0.797 1.00 0.00 O ATOM 75 CB PRO A 6 15.553 6.706 -1.252 1.00 0.00 C ATOM 76 CG PRO A 6 16.992 7.259 -1.235 1.00 0.00 C ATOM 77 CD PRO A 6 17.683 6.755 0.042 1.00 0.00 C ATOM 0 HA PRO A 6 14.591 5.618 0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.298 6.342 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.840 7.494 -1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.537 6.928 -2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.981 8.349 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.677 6.357 -0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 6 17.805 7.550 0.777 1.00 0.00 H new ATOM 85 N SER A 7 16.324 3.829 -1.676 1.00 0.00 N ATOM 86 CA SER A 7 16.270 2.536 -2.412 1.00 0.00 C ATOM 87 C SER A 7 16.176 1.364 -1.434 1.00 0.00 C ATOM 88 O SER A 7 15.472 0.403 -1.674 1.00 0.00 O ATOM 89 CB SER A 7 17.532 2.387 -3.261 1.00 0.00 C ATOM 90 OG SER A 7 18.661 2.270 -2.405 1.00 0.00 O ATOM 0 H SER A 7 17.178 4.368 -1.815 1.00 0.00 H new ATOM 0 HA SER A 7 15.386 2.531 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.453 1.508 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.647 3.249 -3.918 1.00 0.00 H new ATOM 0 HG SER A 7 19.473 2.172 -2.946 1.00 0.00 H new ATOM 96 N THR A 8 16.885 1.422 -0.344 1.00 0.00 N ATOM 97 CA THR A 8 16.836 0.290 0.626 1.00 0.00 C ATOM 98 C THR A 8 15.472 0.229 1.323 1.00 0.00 C ATOM 99 O THR A 8 14.927 -0.836 1.531 1.00 0.00 O ATOM 100 CB THR A 8 17.944 0.458 1.669 1.00 0.00 C ATOM 101 OG1 THR A 8 19.207 0.406 1.019 1.00 0.00 O ATOM 102 CG2 THR A 8 17.855 -0.660 2.714 1.00 0.00 C ATOM 0 H THR A 8 17.493 2.198 -0.082 1.00 0.00 H new ATOM 0 HA THR A 8 16.986 -0.642 0.080 1.00 0.00 H new ATOM 0 HB THR A 8 17.827 1.419 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.916 0.306 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.647 -0.532 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.886 -0.617 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.969 -1.627 2.223 1.00 0.00 H new ATOM 110 N ALA A 9 14.907 1.348 1.683 1.00 0.00 N ATOM 111 CA ALA A 9 13.580 1.313 2.362 1.00 0.00 C ATOM 112 C ALA A 9 12.561 0.652 1.434 1.00 0.00 C ATOM 113 O ALA A 9 11.735 -0.134 1.859 1.00 0.00 O ATOM 114 CB ALA A 9 13.128 2.740 2.689 1.00 0.00 C ATOM 0 H ALA A 9 15.302 2.277 1.539 1.00 0.00 H new ATOM 0 HA ALA A 9 13.658 0.743 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.158 2.710 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.858 3.211 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.046 3.316 1.767 1.00 0.00 H new ATOM 120 N LEU A 10 12.615 0.960 0.168 1.00 0.00 N ATOM 121 CA LEU A 10 11.654 0.346 -0.788 1.00 0.00 C ATOM 122 C LEU A 10 11.877 -1.171 -0.824 1.00 0.00 C ATOM 123 O LEU A 10 10.949 -1.947 -0.714 1.00 0.00 O ATOM 124 CB LEU A 10 11.888 0.929 -2.187 1.00 0.00 C ATOM 125 CG LEU A 10 10.820 0.408 -3.163 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.456 1.055 -2.865 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.246 0.741 -4.593 1.00 0.00 C ATOM 0 H LEU A 10 13.283 1.610 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 10 10.633 0.558 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.854 2.018 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.881 0.654 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 10 10.724 -0.671 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.712 0.675 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.153 0.812 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.535 2.137 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.494 0.375 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.346 1.821 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.203 0.265 -4.808 1.00 0.00 H new ATOM 139 N ARG A 11 13.103 -1.597 -0.991 1.00 0.00 N ATOM 140 CA ARG A 11 13.385 -3.060 -1.050 1.00 0.00 C ATOM 141 C ARG A 11 12.948 -3.723 0.252 1.00 0.00 C ATOM 142 O ARG A 11 12.354 -4.782 0.252 1.00 0.00 O ATOM 143 CB ARG A 11 14.886 -3.281 -1.245 1.00 0.00 C ATOM 144 CG ARG A 11 15.288 -2.845 -2.652 1.00 0.00 C ATOM 145 CD ARG A 11 16.789 -3.068 -2.843 1.00 0.00 C ATOM 146 NE ARG A 11 17.546 -2.119 -1.977 1.00 0.00 N ATOM 147 CZ ARG A 11 18.816 -2.317 -1.743 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.419 -3.361 -2.243 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.480 -1.472 -1.002 1.00 0.00 N ATOM 0 H ARG A 11 13.920 -0.994 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 11 12.835 -3.497 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.447 -2.713 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.132 -4.332 -1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.727 -3.413 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.043 -1.794 -2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.050 -4.096 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.060 -2.919 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 11 17.072 -1.314 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.899 -4.024 -2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.411 -3.514 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.007 -0.659 -0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.472 -1.625 -0.818 1.00 0.00 H new ATOM 163 N GLU A 12 13.231 -3.111 1.362 1.00 0.00 N ATOM 164 CA GLU A 12 12.823 -3.714 2.656 1.00 0.00 C ATOM 165 C GLU A 12 11.298 -3.819 2.710 1.00 0.00 C ATOM 166 O GLU A 12 10.751 -4.796 3.181 1.00 0.00 O ATOM 167 CB GLU A 12 13.338 -2.842 3.800 1.00 0.00 C ATOM 168 CG GLU A 12 14.862 -2.965 3.882 1.00 0.00 C ATOM 169 CD GLU A 12 15.386 -2.069 5.005 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.591 -1.336 5.569 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.571 -2.134 5.284 1.00 0.00 O ATOM 0 H GLU A 12 13.726 -2.222 1.430 1.00 0.00 H new ATOM 0 HA GLU A 12 13.247 -4.714 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.054 -1.802 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.885 -3.152 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.144 -4.001 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.312 -2.677 2.932 1.00 0.00 H new ATOM 178 N LEU A 13 10.605 -2.825 2.227 1.00 0.00 N ATOM 179 CA LEU A 13 9.117 -2.879 2.251 1.00 0.00 C ATOM 180 C LEU A 13 8.618 -3.928 1.249 1.00 0.00 C ATOM 181 O LEU A 13 7.710 -4.681 1.532 1.00 0.00 O ATOM 182 CB LEU A 13 8.565 -1.498 1.881 1.00 0.00 C ATOM 183 CG LEU A 13 7.031 -1.510 1.887 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.501 -1.892 3.280 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.532 -0.111 1.511 1.00 0.00 C ATOM 0 H LEU A 13 11.004 -1.980 1.818 1.00 0.00 H new ATOM 0 HA LEU A 13 8.774 -3.156 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.931 -0.753 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.928 -1.208 0.895 1.00 0.00 H new ATOM 0 HG LEU A 13 6.670 -2.246 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.411 -1.896 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.864 -2.884 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.852 -1.167 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.442 -0.101 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.901 0.614 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.898 0.151 0.518 1.00 0.00 H new ATOM 197 N ILE A 14 9.202 -3.987 0.082 1.00 0.00 N ATOM 198 CA ILE A 14 8.753 -4.992 -0.927 1.00 0.00 C ATOM 199 C ILE A 14 8.944 -6.406 -0.372 1.00 0.00 C ATOM 200 O ILE A 14 8.074 -7.248 -0.475 1.00 0.00 O ATOM 201 CB ILE A 14 9.574 -4.830 -2.213 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.206 -3.501 -2.885 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.272 -5.991 -3.174 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.193 -3.200 -4.015 1.00 0.00 C ATOM 0 H ILE A 14 9.969 -3.384 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 14 7.697 -4.833 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 14 10.636 -4.836 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.191 -3.552 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.223 -2.695 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.858 -5.871 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.533 -6.936 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.211 -5.991 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.927 -2.255 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.202 -3.130 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.155 -4.000 -4.754 1.00 0.00 H new ATOM 216 N GLU A 15 10.083 -6.676 0.201 1.00 0.00 N ATOM 217 CA GLU A 15 10.341 -8.039 0.744 1.00 0.00 C ATOM 218 C GLU A 15 9.306 -8.373 1.821 1.00 0.00 C ATOM 219 O GLU A 15 8.824 -9.485 1.909 1.00 0.00 O ATOM 220 CB GLU A 15 11.744 -8.088 1.356 1.00 0.00 C ATOM 221 CG GLU A 15 12.793 -8.011 0.244 1.00 0.00 C ATOM 222 CD GLU A 15 12.779 -9.308 -0.568 1.00 0.00 C ATOM 223 OE1 GLU A 15 12.383 -10.323 -0.021 1.00 0.00 O ATOM 224 OE2 GLU A 15 13.166 -9.261 -1.724 1.00 0.00 O ATOM 0 H GLU A 15 10.848 -6.011 0.317 1.00 0.00 H new ATOM 0 HA GLU A 15 10.268 -8.766 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.877 -7.260 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.871 -9.008 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.586 -7.161 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.782 -7.850 0.674 1.00 0.00 H new ATOM 231 N GLU A 16 8.966 -7.422 2.647 1.00 0.00 N ATOM 232 CA GLU A 16 7.970 -7.690 3.723 1.00 0.00 C ATOM 233 C GLU A 16 6.576 -7.880 3.113 1.00 0.00 C ATOM 234 O GLU A 16 5.864 -8.798 3.461 1.00 0.00 O ATOM 235 CB GLU A 16 7.956 -6.505 4.694 1.00 0.00 C ATOM 236 CG GLU A 16 7.009 -6.788 5.867 1.00 0.00 C ATOM 237 CD GLU A 16 7.554 -7.953 6.697 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.723 -8.266 6.546 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.793 -8.509 7.471 1.00 0.00 O ATOM 0 H GLU A 16 9.335 -6.471 2.624 1.00 0.00 H new ATOM 0 HA GLU A 16 8.244 -8.600 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.963 -6.320 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.639 -5.602 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.910 -5.899 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.013 -7.028 5.494 1.00 0.00 H new ATOM 246 N LEU A 17 6.177 -7.019 2.213 1.00 0.00 N ATOM 247 CA LEU A 17 4.822 -7.156 1.597 1.00 0.00 C ATOM 248 C LEU A 17 4.725 -8.477 0.833 1.00 0.00 C ATOM 249 O LEU A 17 3.713 -9.148 0.856 1.00 0.00 O ATOM 250 CB LEU A 17 4.581 -6.007 0.612 1.00 0.00 C ATOM 251 CG LEU A 17 4.517 -4.663 1.349 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.437 -3.539 0.312 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.280 -4.606 2.263 1.00 0.00 C ATOM 0 H LEU A 17 6.728 -6.229 1.878 1.00 0.00 H new ATOM 0 HA LEU A 17 4.076 -7.132 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.380 -5.983 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.650 -6.175 0.071 1.00 0.00 H new ATOM 0 HG LEU A 17 5.408 -4.548 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.391 -2.577 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.320 -3.570 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.543 -3.670 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.252 -3.645 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.378 -4.723 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.333 -5.409 2.998 1.00 0.00 H new ATOM 265 N VAL A 18 5.763 -8.845 0.138 1.00 0.00 N ATOM 266 CA VAL A 18 5.726 -10.110 -0.648 1.00 0.00 C ATOM 267 C VAL A 18 5.680 -11.318 0.296 1.00 0.00 C ATOM 268 O VAL A 18 4.963 -12.270 0.067 1.00 0.00 O ATOM 269 CB VAL A 18 6.980 -10.181 -1.526 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.076 -11.552 -2.199 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.906 -9.093 -2.601 1.00 0.00 C ATOM 0 H VAL A 18 6.638 -8.324 0.080 1.00 0.00 H new ATOM 0 HA VAL A 18 4.834 -10.127 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 18 7.861 -10.029 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.971 -11.591 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.130 -12.329 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.196 -11.715 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.796 -9.140 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.020 -9.249 -3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.849 -8.114 -2.125 1.00 0.00 H new ATOM 281 N ASN A 19 6.454 -11.295 1.342 1.00 0.00 N ATOM 282 CA ASN A 19 6.479 -12.449 2.287 1.00 0.00 C ATOM 283 C ASN A 19 5.090 -12.693 2.894 1.00 0.00 C ATOM 284 O ASN A 19 4.670 -13.820 3.060 1.00 0.00 O ATOM 285 CB ASN A 19 7.479 -12.144 3.407 1.00 0.00 C ATOM 286 CG ASN A 19 7.531 -13.312 4.395 1.00 0.00 C ATOM 287 OD1 ASN A 19 6.535 -13.960 4.649 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.664 -13.612 4.965 1.00 0.00 N ATOM 0 H ASN A 19 7.075 -10.523 1.587 1.00 0.00 H new ATOM 0 HA ASN A 19 6.775 -13.346 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.469 -11.970 2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.189 -11.231 3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.714 -14.390 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.501 -13.069 4.753 1.00 0.00 H new ATOM 295 N ILE A 20 4.385 -11.657 3.248 1.00 0.00 N ATOM 296 CA ILE A 20 3.040 -11.850 3.869 1.00 0.00 C ATOM 297 C ILE A 20 1.983 -12.209 2.819 1.00 0.00 C ATOM 298 O ILE A 20 0.922 -12.697 3.153 1.00 0.00 O ATOM 299 CB ILE A 20 2.624 -10.567 4.590 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.607 -9.404 3.594 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.619 -10.269 5.713 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.156 -8.125 4.302 1.00 0.00 C ATOM 0 H ILE A 20 4.678 -10.686 3.136 1.00 0.00 H new ATOM 0 HA ILE A 20 3.109 -12.676 4.577 1.00 0.00 H new ATOM 0 HB ILE A 20 1.628 -10.693 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.600 -9.264 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.934 -9.630 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.324 -9.355 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.627 -11.098 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.616 -10.142 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.145 -7.300 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.154 -8.268 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.847 -7.895 5.113 1.00 0.00 H new ATOM 314 N THR A 21 2.239 -11.954 1.558 1.00 0.00 N ATOM 315 CA THR A 21 1.213 -12.265 0.509 1.00 0.00 C ATOM 316 C THR A 21 1.519 -13.601 -0.177 1.00 0.00 C ATOM 317 O THR A 21 0.643 -14.230 -0.734 1.00 0.00 O ATOM 318 CB THR A 21 1.213 -11.147 -0.546 1.00 0.00 C ATOM 319 OG1 THR A 21 2.541 -10.947 -1.007 1.00 0.00 O ATOM 320 CG2 THR A 21 0.678 -9.825 0.050 1.00 0.00 C ATOM 0 H THR A 21 3.107 -11.547 1.210 1.00 0.00 H new ATOM 0 HA THR A 21 0.237 -12.335 0.989 1.00 0.00 H new ATOM 0 HB THR A 21 0.564 -11.443 -1.370 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.992 -10.293 -0.433 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.688 -9.050 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.342 -9.972 0.404 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.310 -9.519 0.883 1.00 0.00 H new ATOM 328 N GLN A 22 2.744 -14.044 -0.148 1.00 0.00 N ATOM 329 CA GLN A 22 3.075 -15.342 -0.808 1.00 0.00 C ATOM 330 C GLN A 22 2.593 -16.517 0.046 1.00 0.00 C ATOM 331 O GLN A 22 2.202 -17.546 -0.467 1.00 0.00 O ATOM 332 CB GLN A 22 4.589 -15.450 -1.009 1.00 0.00 C ATOM 333 CG GLN A 22 5.020 -14.524 -2.145 1.00 0.00 C ATOM 334 CD GLN A 22 6.533 -14.631 -2.345 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.266 -15.166 -1.407 1.00 0.00 O flip ATOM 336 NE2 GLN A 22 7.053 -14.223 -3.364 1.00 0.00 N flip ATOM 0 H GLN A 22 3.527 -13.569 0.300 1.00 0.00 H new ATOM 0 HA GLN A 22 2.572 -15.376 -1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.109 -15.181 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.863 -16.479 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.501 -14.794 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.745 -13.495 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.480 -13.805 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.063 -14.298 -3.487 1.00 0.00 H new ATOM 345 N ASN A 23 2.643 -16.385 1.345 1.00 0.00 N ATOM 346 CA ASN A 23 2.214 -17.510 2.234 1.00 0.00 C ATOM 347 C ASN A 23 0.758 -17.337 2.677 1.00 0.00 C ATOM 348 O ASN A 23 0.271 -18.075 3.509 1.00 0.00 O ATOM 349 CB ASN A 23 3.114 -17.543 3.469 1.00 0.00 C ATOM 350 CG ASN A 23 2.923 -16.258 4.275 1.00 0.00 C ATOM 351 OD1 ASN A 23 2.314 -15.318 3.806 1.00 0.00 O ATOM 352 ND2 ASN A 23 3.424 -16.177 5.476 1.00 0.00 N ATOM 0 H ASN A 23 2.962 -15.547 1.831 1.00 0.00 H new ATOM 0 HA ASN A 23 2.297 -18.443 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.873 -18.410 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.157 -17.645 3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.304 -15.324 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.935 -16.967 5.870 1.00 0.00 H new ATOM 359 N GLN A 24 0.052 -16.378 2.144 1.00 0.00 N ATOM 360 CA GLN A 24 -1.369 -16.195 2.568 1.00 0.00 C ATOM 361 C GLN A 24 -2.268 -17.166 1.789 1.00 0.00 C ATOM 362 O GLN A 24 -2.280 -17.175 0.574 1.00 0.00 O ATOM 363 CB GLN A 24 -1.802 -14.741 2.300 1.00 0.00 C ATOM 364 CG GLN A 24 -2.138 -14.545 0.815 1.00 0.00 C ATOM 365 CD GLN A 24 -2.192 -13.052 0.490 1.00 0.00 C ATOM 366 OE1 GLN A 24 -2.323 -12.190 1.460 1.00 0.00 O flip ATOM 367 NE2 GLN A 24 -2.105 -12.665 -0.659 1.00 0.00 N flip ATOM 0 H GLN A 24 0.390 -15.720 1.442 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.462 -16.404 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.671 -14.496 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.004 -14.058 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.387 -15.035 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.096 -15.012 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.003 -13.339 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.134 -11.666 -0.864 1.00 0.00 H new ATOM 376 N LYS A 25 -3.036 -17.972 2.476 1.00 0.00 N ATOM 377 CA LYS A 25 -3.947 -18.920 1.767 1.00 0.00 C ATOM 378 C LYS A 25 -5.271 -18.200 1.512 1.00 0.00 C ATOM 379 O LYS A 25 -5.516 -17.698 0.433 1.00 0.00 O ATOM 380 CB LYS A 25 -4.182 -20.163 2.632 1.00 0.00 C ATOM 381 CG LYS A 25 -5.049 -21.166 1.863 1.00 0.00 C ATOM 382 CD LYS A 25 -5.274 -22.413 2.723 1.00 0.00 C ATOM 383 CE LYS A 25 -6.126 -23.426 1.953 1.00 0.00 C ATOM 384 NZ LYS A 25 -5.996 -24.767 2.591 1.00 0.00 N ATOM 0 H LYS A 25 -3.072 -18.015 3.494 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.504 -19.239 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.229 -20.619 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.672 -19.883 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.006 -20.712 1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.563 -21.440 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.316 -22.859 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.770 -22.139 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.170 -23.112 1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.804 -23.473 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.574 -25.457 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.000 -25.065 2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.323 -24.716 3.577 1.00 0.00 H new ATOM 398 N ALA A 26 -6.118 -18.121 2.503 1.00 0.00 N ATOM 399 CA ALA A 26 -7.413 -17.401 2.323 1.00 0.00 C ATOM 400 C ALA A 26 -7.151 -15.895 2.515 1.00 0.00 C ATOM 401 O ALA A 26 -6.120 -15.511 3.031 1.00 0.00 O ATOM 402 CB ALA A 26 -8.433 -17.919 3.363 1.00 0.00 C ATOM 0 H ALA A 26 -5.970 -18.523 3.429 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.823 -17.575 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.381 -17.396 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.587 -18.989 3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.052 -17.738 4.368 1.00 0.00 H new ATOM 408 N PRO A 27 -8.067 -15.044 2.119 1.00 0.00 N ATOM 409 CA PRO A 27 -7.869 -13.577 2.292 1.00 0.00 C ATOM 410 C PRO A 27 -7.377 -13.227 3.706 1.00 0.00 C ATOM 411 O PRO A 27 -7.885 -13.729 4.689 1.00 0.00 O ATOM 412 CB PRO A 27 -9.283 -13.031 2.031 1.00 0.00 C ATOM 413 CG PRO A 27 -10.086 -14.125 1.302 1.00 0.00 C ATOM 414 CD PRO A 27 -9.348 -15.466 1.484 1.00 0.00 C ATOM 0 HA PRO A 27 -7.108 -13.159 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.768 -12.763 2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.237 -12.125 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.096 -14.189 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.182 -13.884 0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.907 -16.155 2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -9.182 -15.971 0.532 1.00 0.00 H new ATOM 422 N LEU A 28 -6.394 -12.375 3.818 1.00 0.00 N ATOM 423 CA LEU A 28 -5.882 -12.009 5.170 1.00 0.00 C ATOM 424 C LEU A 28 -7.013 -11.375 5.982 1.00 0.00 C ATOM 425 O LEU A 28 -7.262 -11.738 7.114 1.00 0.00 O ATOM 426 CB LEU A 28 -4.746 -10.994 5.026 1.00 0.00 C ATOM 427 CG LEU A 28 -3.557 -11.629 4.292 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.514 -10.543 4.011 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.929 -12.745 5.151 1.00 0.00 C ATOM 0 H LEU A 28 -5.925 -11.918 3.036 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.516 -12.903 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.097 -10.120 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.432 -10.647 6.010 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.902 -12.068 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.663 -10.982 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.958 -9.764 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.178 -10.109 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.087 -13.185 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.580 -12.325 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.675 -13.514 5.350 1.00 0.00 H new ATOM 441 N CYS A 29 -7.702 -10.433 5.402 1.00 0.00 N ATOM 442 CA CYS A 29 -8.826 -9.768 6.118 1.00 0.00 C ATOM 443 C CYS A 29 -10.079 -10.632 5.990 1.00 0.00 C ATOM 444 O CYS A 29 -10.133 -11.544 5.190 1.00 0.00 O ATOM 445 CB CYS A 29 -9.090 -8.400 5.486 1.00 0.00 C ATOM 446 SG CYS A 29 -7.754 -7.259 5.921 1.00 0.00 S ATOM 0 H CYS A 29 -7.533 -10.093 4.455 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.570 -9.641 7.170 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.160 -8.497 4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.045 -8.006 5.834 1.00 0.00 H new ATOM 451 N ASN A 30 -11.091 -10.351 6.759 1.00 0.00 N ATOM 452 CA ASN A 30 -12.340 -11.156 6.660 1.00 0.00 C ATOM 453 C ASN A 30 -13.010 -10.883 5.306 1.00 0.00 C ATOM 454 O ASN A 30 -14.214 -10.746 5.216 1.00 0.00 O ATOM 455 CB ASN A 30 -13.291 -10.762 7.793 1.00 0.00 C ATOM 456 CG ASN A 30 -12.693 -11.181 9.141 1.00 0.00 C ATOM 457 OD1 ASN A 30 -11.931 -12.240 9.209 1.00 0.00 O flip ATOM 458 ND2 ASN A 30 -12.921 -10.535 10.145 1.00 0.00 N flip ATOM 0 H ASN A 30 -11.109 -9.601 7.450 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.102 -12.217 6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.462 -9.686 7.779 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.260 -11.240 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.516 -9.708 10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.518 -10.820 11.037 1.00 0.00 H new ATOM 465 N GLY A 31 -12.237 -10.795 4.253 1.00 0.00 N ATOM 466 CA GLY A 31 -12.829 -10.520 2.910 1.00 0.00 C ATOM 467 C GLY A 31 -13.075 -9.017 2.766 1.00 0.00 C ATOM 468 O GLY A 31 -13.882 -8.581 1.970 1.00 0.00 O ATOM 0 H GLY A 31 -11.223 -10.902 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.157 -10.867 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.765 -11.066 2.793 1.00 0.00 H new ATOM 472 N SER A 32 -12.383 -8.222 3.537 1.00 0.00 N ATOM 473 CA SER A 32 -12.570 -6.746 3.457 1.00 0.00 C ATOM 474 C SER A 32 -12.219 -6.252 2.052 1.00 0.00 C ATOM 475 O SER A 32 -11.298 -6.737 1.423 1.00 0.00 O ATOM 476 CB SER A 32 -11.658 -6.059 4.478 1.00 0.00 C ATOM 477 OG SER A 32 -11.994 -6.510 5.783 1.00 0.00 O ATOM 0 H SER A 32 -11.694 -8.533 4.221 1.00 0.00 H new ATOM 0 HA SER A 32 -13.611 -6.506 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.614 -6.284 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.771 -4.977 4.414 1.00 0.00 H new ATOM 0 HG SER A 32 -11.412 -6.074 6.440 1.00 0.00 H new ATOM 483 N MET A 33 -12.949 -5.280 1.564 1.00 0.00 N ATOM 484 CA MET A 33 -12.678 -4.717 0.205 1.00 0.00 C ATOM 485 C MET A 33 -12.191 -3.274 0.365 1.00 0.00 C ATOM 486 O MET A 33 -12.480 -2.625 1.351 1.00 0.00 O ATOM 487 CB MET A 33 -13.963 -4.745 -0.626 1.00 0.00 C ATOM 488 CG MET A 33 -14.413 -6.195 -0.813 1.00 0.00 C ATOM 489 SD MET A 33 -15.931 -6.236 -1.802 1.00 0.00 S ATOM 490 CE MET A 33 -15.219 -5.701 -3.385 1.00 0.00 C ATOM 0 H MET A 33 -13.731 -4.847 2.056 1.00 0.00 H new ATOM 0 HA MET A 33 -11.918 -5.310 -0.304 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.744 -4.171 -0.128 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.793 -4.277 -1.596 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.629 -6.769 -1.307 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.586 -6.661 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.599 -6.334 -4.187 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.497 -4.665 -3.577 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.133 -5.783 -3.342 1.00 0.00 H new ATOM 500 N VAL A 34 -11.438 -2.772 -0.584 1.00 0.00 N ATOM 501 CA VAL A 34 -10.909 -1.370 -0.484 1.00 0.00 C ATOM 502 C VAL A 34 -11.198 -0.604 -1.778 1.00 0.00 C ATOM 503 O VAL A 34 -11.439 -1.186 -2.817 1.00 0.00 O ATOM 504 CB VAL A 34 -9.400 -1.421 -0.253 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.116 -1.898 1.173 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.766 -2.392 -1.249 1.00 0.00 C ATOM 0 H VAL A 34 -11.164 -3.274 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.397 -0.860 0.347 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.978 -0.426 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.039 -1.934 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.568 -1.207 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.538 -2.893 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.689 -2.429 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.189 -3.386 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.967 -2.053 -2.265 1.00 0.00 H new ATOM 516 N TRP A 35 -11.173 0.703 -1.720 1.00 0.00 N ATOM 517 CA TRP A 35 -11.444 1.515 -2.944 1.00 0.00 C ATOM 518 C TRP A 35 -10.258 1.405 -3.904 1.00 0.00 C ATOM 519 O TRP A 35 -9.121 1.596 -3.521 1.00 0.00 O ATOM 520 CB TRP A 35 -11.602 2.990 -2.562 1.00 0.00 C ATOM 521 CG TRP A 35 -12.857 3.209 -1.777 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.938 3.204 -0.427 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.201 3.483 -2.265 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.244 3.462 -0.055 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.062 3.637 -1.153 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.752 3.609 -3.552 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.421 3.909 -1.312 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.120 3.881 -3.715 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.953 4.031 -2.597 1.00 0.00 C ATOM 0 H TRP A 35 -10.976 1.243 -0.877 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.355 1.144 -3.415 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.741 3.312 -1.976 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.621 3.603 -3.463 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.116 3.027 0.250 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.564 3.516 0.912 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.120 3.496 -4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.057 4.024 -0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.533 3.975 -4.708 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.004 4.241 -2.730 1.00 0.00 H new ATOM 540 N SER A 36 -10.511 1.122 -5.152 1.00 0.00 N ATOM 541 CA SER A 36 -9.391 1.031 -6.131 1.00 0.00 C ATOM 542 C SER A 36 -8.845 2.439 -6.385 1.00 0.00 C ATOM 543 O SER A 36 -9.568 3.412 -6.301 1.00 0.00 O ATOM 544 CB SER A 36 -9.900 0.432 -7.443 1.00 0.00 C ATOM 545 OG SER A 36 -10.673 1.404 -8.136 1.00 0.00 O ATOM 0 H SER A 36 -11.441 0.950 -5.535 1.00 0.00 H new ATOM 0 HA SER A 36 -8.602 0.393 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.060 0.112 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.504 -0.453 -7.242 1.00 0.00 H new ATOM 0 HG SER A 36 -10.999 1.023 -8.978 1.00 0.00 H new ATOM 551 N ILE A 37 -7.578 2.560 -6.694 1.00 0.00 N ATOM 552 CA ILE A 37 -6.982 3.912 -6.954 1.00 0.00 C ATOM 553 C ILE A 37 -6.090 3.853 -8.192 1.00 0.00 C ATOM 554 O ILE A 37 -5.716 2.793 -8.652 1.00 0.00 O ATOM 555 CB ILE A 37 -6.130 4.341 -5.755 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.158 3.211 -5.388 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.036 4.649 -4.559 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.048 3.755 -4.483 1.00 0.00 C ATOM 0 H ILE A 37 -6.927 1.780 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.788 4.628 -7.112 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.565 5.236 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.694 2.409 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.725 2.783 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.425 4.954 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.722 5.455 -4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.606 3.758 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.361 2.949 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.505 4.542 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.488 4.162 -3.572 1.00 0.00 H new ATOM 570 N ASN A 38 -5.722 4.990 -8.718 1.00 0.00 N ATOM 571 CA ASN A 38 -4.825 5.007 -9.906 1.00 0.00 C ATOM 572 C ASN A 38 -3.384 4.993 -9.400 1.00 0.00 C ATOM 573 O ASN A 38 -2.981 5.834 -8.621 1.00 0.00 O ATOM 574 CB ASN A 38 -5.077 6.279 -10.721 1.00 0.00 C ATOM 575 CG ASN A 38 -6.508 6.262 -11.265 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.253 7.203 -11.075 1.00 0.00 O ATOM 577 ND2 ASN A 38 -6.928 5.224 -11.936 1.00 0.00 N ATOM 0 H ASN A 38 -6.005 5.908 -8.375 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.013 4.143 -10.543 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.924 7.160 -10.097 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.365 6.344 -11.544 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.881 5.203 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.304 4.434 -12.096 1.00 0.00 H new ATOM 584 N LEU A 39 -2.608 4.031 -9.812 1.00 0.00 N ATOM 585 CA LEU A 39 -1.203 3.952 -9.327 1.00 0.00 C ATOM 586 C LEU A 39 -0.325 4.919 -10.128 1.00 0.00 C ATOM 587 O LEU A 39 -0.186 4.800 -11.329 1.00 0.00 O ATOM 588 CB LEU A 39 -0.684 2.519 -9.515 1.00 0.00 C ATOM 589 CG LEU A 39 -1.396 1.534 -8.562 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.189 1.940 -7.091 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.900 1.486 -8.881 1.00 0.00 C ATOM 0 H LEU A 39 -2.885 3.297 -10.463 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.167 4.223 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.840 2.206 -10.547 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.390 2.492 -9.333 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.962 0.545 -8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.701 1.229 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.124 1.940 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.596 2.938 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.393 0.789 -8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.330 2.480 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.043 1.156 -9.910 1.00 0.00 H new ATOM 603 N THR A 40 0.277 5.876 -9.465 1.00 0.00 N ATOM 604 CA THR A 40 1.158 6.857 -10.172 1.00 0.00 C ATOM 605 C THR A 40 2.364 7.185 -9.283 1.00 0.00 C ATOM 606 O THR A 40 3.294 6.410 -9.183 1.00 0.00 O ATOM 607 CB THR A 40 0.371 8.140 -10.456 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.242 8.596 -9.258 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.705 7.860 -11.507 1.00 0.00 C ATOM 0 H THR A 40 0.195 6.020 -8.459 1.00 0.00 H new ATOM 0 HA THR A 40 1.501 6.427 -11.113 1.00 0.00 H new ATOM 0 HB THR A 40 1.051 8.906 -10.830 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.744 9.418 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.264 8.774 -11.708 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.234 7.513 -12.427 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.385 7.093 -11.136 1.00 0.00 H new ATOM 617 N ALA A 41 2.352 8.329 -8.635 1.00 0.00 N ATOM 618 CA ALA A 41 3.496 8.722 -7.742 1.00 0.00 C ATOM 619 C ALA A 41 2.992 8.891 -6.306 1.00 0.00 C ATOM 620 O ALA A 41 3.550 8.344 -5.375 1.00 0.00 O ATOM 621 CB ALA A 41 4.084 10.050 -8.227 1.00 0.00 C ATOM 0 H ALA A 41 1.596 9.011 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 41 4.261 7.946 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.914 10.338 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.442 9.937 -9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.315 10.822 -8.195 1.00 0.00 H new ATOM 627 N GLY A 42 1.938 9.639 -6.116 1.00 0.00 N ATOM 628 CA GLY A 42 1.398 9.834 -4.737 1.00 0.00 C ATOM 629 C GLY A 42 0.692 8.553 -4.285 1.00 0.00 C ATOM 630 O GLY A 42 -0.273 8.587 -3.547 1.00 0.00 O ATOM 0 H GLY A 42 1.427 10.123 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.207 10.080 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.701 10.672 -4.722 1.00 0.00 H new ATOM 634 N MET A 43 1.167 7.426 -4.738 1.00 0.00 N ATOM 635 CA MET A 43 0.539 6.126 -4.366 1.00 0.00 C ATOM 636 C MET A 43 0.586 5.939 -2.848 1.00 0.00 C ATOM 637 O MET A 43 -0.343 5.436 -2.246 1.00 0.00 O ATOM 638 CB MET A 43 1.313 4.993 -5.037 1.00 0.00 C ATOM 639 CG MET A 43 1.292 5.200 -6.549 1.00 0.00 C ATOM 640 SD MET A 43 2.027 3.768 -7.381 1.00 0.00 S ATOM 641 CE MET A 43 3.665 3.865 -6.621 1.00 0.00 C ATOM 0 H MET A 43 1.973 7.349 -5.358 1.00 0.00 H new ATOM 0 HA MET A 43 -0.500 6.117 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.341 4.974 -4.674 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.867 4.031 -4.783 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.267 5.343 -6.891 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.843 6.104 -6.808 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.411 3.473 -7.312 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.897 4.904 -6.388 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.676 3.277 -5.704 1.00 0.00 H new ATOM 651 N TYR A 44 1.666 6.323 -2.226 1.00 0.00 N ATOM 652 CA TYR A 44 1.775 6.148 -0.751 1.00 0.00 C ATOM 653 C TYR A 44 0.650 6.922 -0.055 1.00 0.00 C ATOM 654 O TYR A 44 0.038 6.439 0.877 1.00 0.00 O ATOM 655 CB TYR A 44 3.131 6.683 -0.285 1.00 0.00 C ATOM 656 CG TYR A 44 4.236 5.897 -0.953 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.689 4.704 -0.377 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.806 6.359 -2.147 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.710 3.972 -0.994 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.828 5.626 -2.763 1.00 0.00 C ATOM 661 CZ TYR A 44 6.279 4.433 -2.187 1.00 0.00 C ATOM 662 OH TYR A 44 7.285 3.709 -2.793 1.00 0.00 O ATOM 0 H TYR A 44 2.477 6.750 -2.675 1.00 0.00 H new ATOM 0 HA TYR A 44 1.689 5.091 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.221 7.741 -0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.214 6.600 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.250 4.348 0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.457 7.279 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.059 3.052 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.268 5.982 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 44 7.569 4.166 -3.612 1.00 0.00 H new ATOM 672 N CYS A 45 0.370 8.114 -0.500 1.00 0.00 N ATOM 673 CA CYS A 45 -0.718 8.914 0.134 1.00 0.00 C ATOM 674 C CYS A 45 -2.084 8.300 -0.205 1.00 0.00 C ATOM 675 O CYS A 45 -2.879 7.998 0.666 1.00 0.00 O ATOM 676 CB CYS A 45 -0.649 10.347 -0.394 1.00 0.00 C ATOM 677 SG CYS A 45 1.085 10.870 -0.438 1.00 0.00 S ATOM 0 H CYS A 45 0.847 8.571 -1.277 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.592 8.913 1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.086 10.403 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.228 11.013 0.246 1.00 0.00 H new ATOM 682 N ALA A 46 -2.360 8.126 -1.470 1.00 0.00 N ATOM 683 CA ALA A 46 -3.671 7.549 -1.894 1.00 0.00 C ATOM 684 C ALA A 46 -3.843 6.132 -1.338 1.00 0.00 C ATOM 685 O ALA A 46 -4.902 5.757 -0.871 1.00 0.00 O ATOM 686 CB ALA A 46 -3.713 7.495 -3.423 1.00 0.00 C ATOM 0 H ALA A 46 -1.728 8.361 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.476 8.175 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.666 7.075 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.605 8.502 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.898 6.869 -3.787 1.00 0.00 H new ATOM 692 N ALA A 47 -2.821 5.333 -1.401 1.00 0.00 N ATOM 693 CA ALA A 47 -2.941 3.942 -0.888 1.00 0.00 C ATOM 694 C ALA A 47 -3.201 3.956 0.622 1.00 0.00 C ATOM 695 O ALA A 47 -3.960 3.158 1.133 1.00 0.00 O ATOM 696 CB ALA A 47 -1.651 3.173 -1.185 1.00 0.00 C ATOM 0 H ALA A 47 -1.909 5.580 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.778 3.451 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.740 2.154 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.481 3.149 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.812 3.668 -0.697 1.00 0.00 H new ATOM 702 N LEU A 48 -2.566 4.839 1.346 1.00 0.00 N ATOM 703 CA LEU A 48 -2.769 4.872 2.826 1.00 0.00 C ATOM 704 C LEU A 48 -4.242 5.132 3.163 1.00 0.00 C ATOM 705 O LEU A 48 -4.829 4.430 3.959 1.00 0.00 O ATOM 706 CB LEU A 48 -1.899 5.983 3.434 1.00 0.00 C ATOM 707 CG LEU A 48 -2.085 6.048 4.961 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.657 4.721 5.609 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.227 7.188 5.522 1.00 0.00 C ATOM 0 H LEU A 48 -1.918 5.536 0.980 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.482 3.906 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.851 5.800 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.163 6.943 2.990 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.137 6.225 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.794 4.782 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.266 3.909 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.607 4.530 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.353 7.240 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.179 7.003 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.538 8.132 5.074 1.00 0.00 H new ATOM 721 N GLU A 49 -4.847 6.133 2.578 1.00 0.00 N ATOM 722 CA GLU A 49 -6.279 6.419 2.902 1.00 0.00 C ATOM 723 C GLU A 49 -7.150 5.210 2.560 1.00 0.00 C ATOM 724 O GLU A 49 -8.093 4.904 3.261 1.00 0.00 O ATOM 725 CB GLU A 49 -6.767 7.649 2.127 1.00 0.00 C ATOM 726 CG GLU A 49 -6.361 7.536 0.661 1.00 0.00 C ATOM 727 CD GLU A 49 -6.892 8.748 -0.106 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.080 8.771 -0.389 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.104 9.631 -0.400 1.00 0.00 O ATOM 0 H GLU A 49 -4.418 6.760 1.897 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.357 6.622 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.851 7.733 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.344 8.555 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.276 7.484 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.759 6.617 0.231 1.00 0.00 H new ATOM 736 N SER A 50 -6.853 4.515 1.499 1.00 0.00 N ATOM 737 CA SER A 50 -7.685 3.329 1.148 1.00 0.00 C ATOM 738 C SER A 50 -7.544 2.270 2.248 1.00 0.00 C ATOM 739 O SER A 50 -8.502 1.625 2.628 1.00 0.00 O ATOM 740 CB SER A 50 -7.222 2.752 -0.189 1.00 0.00 C ATOM 741 OG SER A 50 -8.108 1.715 -0.586 1.00 0.00 O ATOM 0 H SER A 50 -6.079 4.713 0.865 1.00 0.00 H new ATOM 0 HA SER A 50 -8.730 3.628 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.198 3.535 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.207 2.364 -0.099 1.00 0.00 H new ATOM 0 HG SER A 50 -8.344 1.830 -1.530 1.00 0.00 H new ATOM 747 N LEU A 51 -6.356 2.088 2.762 1.00 0.00 N ATOM 748 CA LEU A 51 -6.147 1.075 3.841 1.00 0.00 C ATOM 749 C LEU A 51 -6.879 1.513 5.114 1.00 0.00 C ATOM 750 O LEU A 51 -7.433 0.705 5.832 1.00 0.00 O ATOM 751 CB LEU A 51 -4.653 0.954 4.155 1.00 0.00 C ATOM 752 CG LEU A 51 -3.891 0.412 2.940 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.390 0.487 3.227 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.294 -1.049 2.660 1.00 0.00 C ATOM 0 H LEU A 51 -5.519 2.598 2.481 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.535 0.115 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.254 1.929 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.507 0.292 5.008 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.135 1.011 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.836 0.104 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.106 1.523 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.157 -0.113 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.744 -1.419 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.059 -1.664 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.364 -1.099 2.458 1.00 0.00 H new ATOM 766 N ILE A 52 -6.866 2.785 5.407 1.00 0.00 N ATOM 767 CA ILE A 52 -7.538 3.283 6.644 1.00 0.00 C ATOM 768 C ILE A 52 -8.992 2.803 6.688 1.00 0.00 C ATOM 769 O ILE A 52 -9.625 2.834 7.725 1.00 0.00 O ATOM 770 CB ILE A 52 -7.487 4.823 6.663 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.049 5.306 6.936 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.431 5.385 7.726 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.525 4.798 8.294 1.00 0.00 C ATOM 0 H ILE A 52 -6.417 3.505 4.841 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.020 2.891 7.519 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.808 5.185 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.391 4.959 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.022 6.396 6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.378 6.474 7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.452 5.070 7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.137 5.012 8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.509 5.159 8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.168 5.167 9.093 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.527 3.708 8.300 1.00 0.00 H new ATOM 785 N ASN A 53 -9.535 2.355 5.590 1.00 0.00 N ATOM 786 CA ASN A 53 -10.949 1.877 5.615 1.00 0.00 C ATOM 787 C ASN A 53 -10.979 0.422 6.089 1.00 0.00 C ATOM 788 O ASN A 53 -12.020 -0.115 6.408 1.00 0.00 O ATOM 789 CB ASN A 53 -11.555 1.965 4.213 1.00 0.00 C ATOM 790 CG ASN A 53 -11.708 3.433 3.807 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.264 3.824 2.644 1.00 0.00 O flip ATOM 792 ND2 ASN A 53 -12.240 4.229 4.554 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.068 2.299 4.685 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.528 2.502 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.918 1.445 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.526 1.470 4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.587 3.922 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.340 5.204 4.273 1.00 0.00 H new ATOM 799 N VAL A 54 -9.839 -0.217 6.144 1.00 0.00 N ATOM 800 CA VAL A 54 -9.787 -1.637 6.605 1.00 0.00 C ATOM 801 C VAL A 54 -9.534 -1.661 8.113 1.00 0.00 C ATOM 802 O VAL A 54 -8.583 -1.081 8.596 1.00 0.00 O ATOM 803 CB VAL A 54 -8.651 -2.364 5.885 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.688 -3.853 6.234 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.819 -2.196 4.375 1.00 0.00 C ATOM 0 H VAL A 54 -8.937 0.186 5.888 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.731 -2.133 6.382 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.696 -1.942 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.877 -4.368 5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.571 -3.977 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.643 -4.276 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.010 -2.713 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.775 -2.618 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.792 -1.136 4.122 1.00 0.00 H new ATOM 815 N SER A 55 -10.385 -2.321 8.861 1.00 0.00 N ATOM 816 CA SER A 55 -10.212 -2.383 10.349 1.00 0.00 C ATOM 817 C SER A 55 -10.199 -3.842 10.811 1.00 0.00 C ATOM 818 O SER A 55 -10.872 -4.687 10.256 1.00 0.00 O ATOM 819 CB SER A 55 -11.379 -1.654 11.015 1.00 0.00 C ATOM 820 OG SER A 55 -11.260 -0.260 10.768 1.00 0.00 O ATOM 0 H SER A 55 -11.198 -2.823 8.503 1.00 0.00 H new ATOM 0 HA SER A 55 -9.269 -1.912 10.625 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.326 -2.025 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.379 -1.847 12.088 1.00 0.00 H new ATOM 0 HG SER A 55 -12.007 0.212 11.192 1.00 0.00 H new ATOM 826 N GLY A 56 -9.439 -4.141 11.834 1.00 0.00 N ATOM 827 CA GLY A 56 -9.379 -5.542 12.352 1.00 0.00 C ATOM 828 C GLY A 56 -8.234 -6.306 11.679 1.00 0.00 C ATOM 829 O GLY A 56 -7.892 -7.401 12.080 1.00 0.00 O ATOM 0 H GLY A 56 -8.855 -3.472 12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.234 -5.532 13.432 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.325 -6.049 12.162 1.00 0.00 H new ATOM 833 N CYS A 57 -7.635 -5.742 10.662 1.00 0.00 N ATOM 834 CA CYS A 57 -6.507 -6.439 9.969 1.00 0.00 C ATOM 835 C CYS A 57 -5.177 -5.927 10.527 1.00 0.00 C ATOM 836 O CYS A 57 -4.614 -4.967 10.040 1.00 0.00 O ATOM 837 CB CYS A 57 -6.572 -6.153 8.470 1.00 0.00 C ATOM 838 SG CYS A 57 -8.167 -6.705 7.819 1.00 0.00 S ATOM 0 H CYS A 57 -7.878 -4.828 10.280 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.586 -7.513 10.136 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.442 -5.086 8.287 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.760 -6.666 7.955 1.00 0.00 H new ATOM 843 N SER A 58 -4.674 -6.559 11.550 1.00 0.00 N ATOM 844 CA SER A 58 -3.386 -6.113 12.152 1.00 0.00 C ATOM 845 C SER A 58 -2.229 -6.383 11.188 1.00 0.00 C ATOM 846 O SER A 58 -1.292 -5.616 11.094 1.00 0.00 O ATOM 847 CB SER A 58 -3.146 -6.871 13.455 1.00 0.00 C ATOM 848 OG SER A 58 -1.919 -6.442 14.026 1.00 0.00 O ATOM 0 H SER A 58 -5.102 -7.370 11.998 1.00 0.00 H new ATOM 0 HA SER A 58 -3.440 -5.043 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.966 -6.692 14.150 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.117 -7.944 13.265 1.00 0.00 H new ATOM 0 HG SER A 58 -1.762 -6.925 14.864 1.00 0.00 H new ATOM 854 N ALA A 59 -2.279 -7.479 10.491 1.00 0.00 N ATOM 855 CA ALA A 59 -1.179 -7.827 9.547 1.00 0.00 C ATOM 856 C ALA A 59 -0.808 -6.631 8.661 1.00 0.00 C ATOM 857 O ALA A 59 0.335 -6.479 8.278 1.00 0.00 O ATOM 858 CB ALA A 59 -1.627 -8.987 8.658 1.00 0.00 C ATOM 0 H ALA A 59 -3.040 -8.157 10.533 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.303 -8.109 10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.826 -9.245 7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.863 -9.851 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.512 -8.693 8.095 1.00 0.00 H new ATOM 864 N ILE A 60 -1.755 -5.793 8.306 1.00 0.00 N ATOM 865 CA ILE A 60 -1.430 -4.630 7.411 1.00 0.00 C ATOM 866 C ILE A 60 -1.259 -3.337 8.222 1.00 0.00 C ATOM 867 O ILE A 60 -0.878 -2.317 7.687 1.00 0.00 O ATOM 868 CB ILE A 60 -2.558 -4.453 6.387 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.886 -4.182 7.109 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.682 -5.728 5.547 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.992 -3.929 6.079 1.00 0.00 C ATOM 0 H ILE A 60 -2.731 -5.861 8.593 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.489 -4.836 6.901 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.327 -3.607 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.149 -5.032 7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.784 -3.319 7.767 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.483 -5.607 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.742 -5.914 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.909 -6.572 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.933 -3.737 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.730 -3.065 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.101 -4.805 5.440 1.00 0.00 H new ATOM 883 N GLU A 61 -1.520 -3.353 9.501 1.00 0.00 N ATOM 884 CA GLU A 61 -1.338 -2.097 10.286 1.00 0.00 C ATOM 885 C GLU A 61 0.124 -1.657 10.186 1.00 0.00 C ATOM 886 O GLU A 61 0.423 -0.491 10.022 1.00 0.00 O ATOM 887 CB GLU A 61 -1.714 -2.336 11.752 1.00 0.00 C ATOM 888 CG GLU A 61 -3.238 -2.329 11.897 1.00 0.00 C ATOM 889 CD GLU A 61 -3.614 -2.663 13.341 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.726 -3.032 14.092 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.782 -2.544 13.672 1.00 0.00 O ATOM 0 H GLU A 61 -1.845 -4.163 10.029 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.984 -1.317 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.310 -3.290 12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.275 -1.562 12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.636 -1.352 11.623 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.682 -3.056 11.217 1.00 0.00 H new ATOM 898 N LYS A 62 1.036 -2.588 10.259 1.00 0.00 N ATOM 899 CA LYS A 62 2.477 -2.232 10.142 1.00 0.00 C ATOM 900 C LYS A 62 2.709 -1.606 8.768 1.00 0.00 C ATOM 901 O LYS A 62 3.438 -0.646 8.621 1.00 0.00 O ATOM 902 CB LYS A 62 3.315 -3.504 10.276 1.00 0.00 C ATOM 903 CG LYS A 62 3.240 -4.001 11.721 1.00 0.00 C ATOM 904 CD LYS A 62 4.066 -5.284 11.883 1.00 0.00 C ATOM 905 CE LYS A 62 3.379 -6.454 11.163 1.00 0.00 C ATOM 906 NZ LYS A 62 3.879 -7.740 11.725 1.00 0.00 N ATOM 0 H LYS A 62 0.844 -3.581 10.395 1.00 0.00 H new ATOM 0 HA LYS A 62 2.762 -1.528 10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.947 -4.271 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.350 -3.303 10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.613 -3.232 12.398 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.202 -4.191 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.066 -5.135 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.184 -5.518 12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.298 -6.387 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.583 -6.408 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.416 -8.534 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.908 -7.802 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.663 -7.782 12.741 1.00 0.00 H new ATOM 920 N THR A 63 2.077 -2.147 7.764 1.00 0.00 N ATOM 921 CA THR A 63 2.236 -1.596 6.393 1.00 0.00 C ATOM 922 C THR A 63 1.775 -0.137 6.360 1.00 0.00 C ATOM 923 O THR A 63 2.383 0.696 5.723 1.00 0.00 O ATOM 924 CB THR A 63 1.394 -2.425 5.417 1.00 0.00 C ATOM 925 OG1 THR A 63 1.847 -3.771 5.431 1.00 0.00 O ATOM 926 CG2 THR A 63 1.519 -1.852 4.008 1.00 0.00 C ATOM 0 H THR A 63 1.454 -2.952 7.837 1.00 0.00 H new ATOM 0 HA THR A 63 3.286 -1.642 6.103 1.00 0.00 H new ATOM 0 HB THR A 63 0.348 -2.390 5.721 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.309 -4.304 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.918 -2.446 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.165 -0.821 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.563 -1.879 3.695 1.00 0.00 H new ATOM 934 N GLN A 64 0.705 0.182 7.035 1.00 0.00 N ATOM 935 CA GLN A 64 0.216 1.591 7.021 1.00 0.00 C ATOM 936 C GLN A 64 1.298 2.513 7.581 1.00 0.00 C ATOM 937 O GLN A 64 1.569 3.569 7.044 1.00 0.00 O ATOM 938 CB GLN A 64 -1.039 1.704 7.890 1.00 0.00 C ATOM 939 CG GLN A 64 -2.203 0.983 7.208 1.00 0.00 C ATOM 940 CD GLN A 64 -3.403 0.944 8.155 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.242 0.955 9.359 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.611 0.901 7.659 1.00 0.00 N ATOM 0 H GLN A 64 0.150 -0.467 7.593 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.019 1.881 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.854 1.269 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.290 2.753 8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.471 1.496 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.908 -0.030 6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.747 0.892 6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.418 0.877 8.283 1.00 0.00 H new ATOM 951 N ARG A 65 1.922 2.124 8.657 1.00 0.00 N ATOM 952 CA ARG A 65 2.986 2.977 9.248 1.00 0.00 C ATOM 953 C ARG A 65 4.124 3.136 8.238 1.00 0.00 C ATOM 954 O ARG A 65 4.589 4.229 7.982 1.00 0.00 O ATOM 955 CB ARG A 65 3.502 2.317 10.529 1.00 0.00 C ATOM 956 CG ARG A 65 4.506 3.236 11.228 1.00 0.00 C ATOM 957 CD ARG A 65 4.993 2.553 12.507 1.00 0.00 C ATOM 958 NE ARG A 65 5.852 3.494 13.301 1.00 0.00 N ATOM 959 CZ ARG A 65 6.950 4.005 12.814 1.00 0.00 C ATOM 960 NH1 ARG A 65 7.414 3.603 11.663 1.00 0.00 N ATOM 961 NH2 ARG A 65 7.614 4.891 13.506 1.00 0.00 N ATOM 0 H ARG A 65 1.740 1.251 9.152 1.00 0.00 H new ATOM 0 HA ARG A 65 2.587 3.962 9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.668 2.102 11.197 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.974 1.364 10.291 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.348 3.446 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.040 4.193 11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.140 2.235 13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.559 1.656 12.256 1.00 0.00 H new ATOM 0 HE ARG A 65 5.569 3.741 14.249 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.918 2.884 11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.273 4.008 11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.274 5.181 14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.473 5.293 13.130 1.00 0.00 H new ATOM 975 N MET A 66 4.575 2.058 7.654 1.00 0.00 N ATOM 976 CA MET A 66 5.679 2.167 6.661 1.00 0.00 C ATOM 977 C MET A 66 5.214 2.991 5.453 1.00 0.00 C ATOM 978 O MET A 66 5.949 3.812 4.943 1.00 0.00 O ATOM 979 CB MET A 66 6.116 0.768 6.216 1.00 0.00 C ATOM 980 CG MET A 66 6.832 0.079 7.382 1.00 0.00 C ATOM 981 SD MET A 66 7.486 -1.526 6.848 1.00 0.00 S ATOM 982 CE MET A 66 5.908 -2.395 6.661 1.00 0.00 C ATOM 0 H MET A 66 4.229 1.113 7.821 1.00 0.00 H new ATOM 0 HA MET A 66 6.529 2.670 7.121 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.250 0.183 5.907 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.779 0.836 5.354 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.644 0.709 7.744 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.141 -0.059 8.213 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.089 -3.468 6.597 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.273 -2.185 7.522 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.411 -2.056 5.752 1.00 0.00 H new ATOM 992 N LEU A 67 3.998 2.808 5.000 1.00 0.00 N ATOM 993 CA LEU A 67 3.522 3.624 3.843 1.00 0.00 C ATOM 994 C LEU A 67 3.548 5.094 4.247 1.00 0.00 C ATOM 995 O LEU A 67 3.922 5.959 3.480 1.00 0.00 O ATOM 996 CB LEU A 67 2.082 3.245 3.471 1.00 0.00 C ATOM 997 CG LEU A 67 2.021 1.845 2.846 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.555 1.418 2.751 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.636 1.857 1.435 1.00 0.00 C ATOM 0 H LEU A 67 3.325 2.140 5.375 1.00 0.00 H new ATOM 0 HA LEU A 67 4.170 3.440 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.453 3.277 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.680 3.977 2.770 1.00 0.00 H new ATOM 0 HG LEU A 67 2.585 1.149 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.494 0.424 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.116 1.399 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.009 2.127 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.584 0.856 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.082 2.551 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.678 2.173 1.495 1.00 0.00 H new ATOM 1011 N SER A 68 3.154 5.377 5.457 1.00 0.00 N ATOM 1012 CA SER A 68 3.155 6.784 5.935 1.00 0.00 C ATOM 1013 C SER A 68 4.577 7.331 5.868 1.00 0.00 C ATOM 1014 O SER A 68 4.801 8.465 5.494 1.00 0.00 O ATOM 1015 CB SER A 68 2.643 6.835 7.374 1.00 0.00 C ATOM 1016 OG SER A 68 1.256 6.520 7.383 1.00 0.00 O ATOM 0 H SER A 68 2.830 4.690 6.137 1.00 0.00 H new ATOM 0 HA SER A 68 2.503 7.390 5.306 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.194 6.128 7.995 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.807 7.826 7.797 1.00 0.00 H new ATOM 0 HG SER A 68 1.140 5.553 7.277 1.00 0.00 H new ATOM 1022 N GLY A 69 5.544 6.528 6.222 1.00 0.00 N ATOM 1023 CA GLY A 69 6.956 6.999 6.170 1.00 0.00 C ATOM 1024 C GLY A 69 7.227 7.620 4.799 1.00 0.00 C ATOM 1025 O GLY A 69 8.127 8.419 4.635 1.00 0.00 O ATOM 0 H GLY A 69 5.417 5.569 6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.137 7.731 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.637 6.166 6.347 1.00 0.00 H new ATOM 1029 N PHE A 70 6.449 7.259 3.811 1.00 0.00 N ATOM 1030 CA PHE A 70 6.650 7.827 2.443 1.00 0.00 C ATOM 1031 C PHE A 70 5.705 9.020 2.236 1.00 0.00 C ATOM 1032 O PHE A 70 5.933 9.855 1.383 1.00 0.00 O ATOM 1033 CB PHE A 70 6.335 6.753 1.394 1.00 0.00 C ATOM 1034 CG PHE A 70 7.473 5.759 1.296 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.521 5.982 0.393 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.474 4.609 2.094 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.566 5.056 0.286 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.522 3.685 1.990 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.567 3.907 1.085 1.00 0.00 C ATOM 0 H PHE A 70 5.681 6.593 3.893 1.00 0.00 H new ATOM 0 HA PHE A 70 7.684 8.155 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.414 6.235 1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.169 7.221 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.523 6.870 -0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.667 4.434 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.371 5.228 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.524 2.800 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.373 3.193 1.004 1.00 0.00 H new ATOM 1049 N CYS A 71 4.645 9.108 3.007 1.00 0.00 N ATOM 1050 CA CYS A 71 3.684 10.250 2.851 1.00 0.00 C ATOM 1051 C CYS A 71 3.224 10.742 4.241 1.00 0.00 C ATOM 1052 O CYS A 71 2.329 10.159 4.816 1.00 0.00 O ATOM 1053 CB CYS A 71 2.448 9.788 2.063 1.00 0.00 C ATOM 1054 SG CYS A 71 1.535 11.248 1.495 1.00 0.00 S ATOM 0 H CYS A 71 4.404 8.438 3.738 1.00 0.00 H new ATOM 0 HA CYS A 71 4.186 11.057 2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.750 9.177 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.811 9.166 2.692 1.00 0.00 H new ATOM 1059 N PRO A 72 3.812 11.802 4.781 1.00 0.00 N ATOM 1060 CA PRO A 72 3.391 12.344 6.120 1.00 0.00 C ATOM 1061 C PRO A 72 1.899 12.721 6.169 1.00 0.00 C ATOM 1062 O PRO A 72 1.528 13.733 6.726 1.00 0.00 O ATOM 1063 CB PRO A 72 4.267 13.602 6.244 1.00 0.00 C ATOM 1064 CG PRO A 72 5.416 13.471 5.238 1.00 0.00 C ATOM 1065 CD PRO A 72 4.940 12.531 4.122 1.00 0.00 C ATOM 0 HA PRO A 72 3.515 11.618 6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.681 14.498 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.656 13.699 7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.684 14.446 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.307 13.072 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.610 13.080 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.729 11.852 3.798 1.00 0.00 H new ATOM 1073 N HIS A 73 1.056 11.949 5.550 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.394 12.293 5.510 1.00 0.00 C ATOM 1075 C HIS A 73 -1.153 11.685 6.697 1.00 0.00 C ATOM 1076 O HIS A 73 -1.387 10.493 6.755 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.972 11.737 4.186 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.775 12.789 3.478 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.142 12.910 3.642 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.408 13.770 2.602 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.552 13.933 2.878 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.533 14.497 2.217 1.00 0.00 N ATOM 0 H HIS A 73 1.308 11.087 5.066 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.509 13.375 5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.160 11.397 3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.600 10.870 4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.400 13.954 2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.578 14.262 2.805 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.572 15.286 1.572 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.590 12.505 7.615 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.389 11.977 8.755 1.00 0.00 C ATOM 1092 C LYS A 74 -3.828 11.832 8.258 1.00 0.00 C ATOM 1093 O LYS A 74 -4.597 12.771 8.288 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.347 12.968 9.922 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.936 13.003 10.514 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.900 13.942 11.727 1.00 0.00 C ATOM 1097 CE LYS A 74 -1.279 15.370 11.311 1.00 0.00 C ATOM 1098 NZ LYS A 74 -0.731 15.664 9.957 1.00 0.00 N ATOM 0 H LYS A 74 -1.429 13.512 7.624 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.992 11.023 9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.633 13.962 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.066 12.676 10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.632 11.999 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.225 13.341 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.589 13.584 12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.097 13.938 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.363 15.481 11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.888 16.085 12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.685 16.694 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.224 15.260 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.349 15.244 9.234 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.193 10.676 7.770 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.578 10.492 7.234 1.00 0.00 C ATOM 1114 C VAL A 75 -6.483 9.870 8.297 1.00 0.00 C ATOM 1115 O VAL A 75 -6.172 8.847 8.875 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.539 9.558 6.021 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -6.893 9.604 5.294 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.425 9.999 5.064 1.00 0.00 C ATOM 0 H VAL A 75 -3.595 9.851 7.718 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.970 11.468 6.948 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.342 8.540 6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.865 8.939 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.682 9.283 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.093 10.623 4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.400 9.332 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.616 11.018 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.466 9.961 5.580 1.00 0.00 H new ATOM 1128 N SER A 76 -7.617 10.476 8.540 1.00 0.00 N ATOM 1129 CA SER A 76 -8.572 9.927 9.546 1.00 0.00 C ATOM 1130 C SER A 76 -9.650 9.116 8.818 1.00 0.00 C ATOM 1131 O SER A 76 -9.828 9.235 7.623 1.00 0.00 O ATOM 1132 CB SER A 76 -9.227 11.081 10.302 1.00 0.00 C ATOM 1133 OG SER A 76 -10.165 10.561 11.234 1.00 0.00 O ATOM 0 H SER A 76 -7.923 11.334 8.081 1.00 0.00 H new ATOM 0 HA SER A 76 -8.042 9.286 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.469 11.668 10.821 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.726 11.752 9.603 1.00 0.00 H new ATOM 0 HG SER A 76 -10.585 11.300 11.722 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.362 8.287 9.529 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.421 7.459 8.884 1.00 0.00 C ATOM 1141 C ALA A 77 -12.482 8.352 8.232 1.00 0.00 C ATOM 1142 O ALA A 77 -13.135 7.956 7.286 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.084 6.574 9.940 1.00 0.00 C ATOM 0 H ALA A 77 -10.256 8.146 10.534 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.961 6.841 8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.859 5.967 9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.335 5.922 10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.531 7.201 10.712 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.674 9.545 8.728 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.707 10.446 8.128 1.00 0.00 C ATOM 1151 C GLY A 78 -13.063 11.343 7.072 1.00 0.00 C ATOM 1152 O GLY A 78 -13.720 11.821 6.168 1.00 0.00 O ATOM 0 H GLY A 78 -12.163 9.936 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.503 9.853 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.166 11.056 8.906 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.783 11.578 7.173 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.104 12.448 6.167 1.00 0.00 C ATOM 1158 C GLN A 79 -10.611 11.596 4.998 1.00 0.00 C ATOM 1159 O GLN A 79 -9.869 10.651 5.177 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.909 13.146 6.813 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.391 14.072 7.933 1.00 0.00 C ATOM 1162 CD GLN A 79 -11.134 15.264 7.325 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.726 15.796 6.312 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -12.214 15.711 7.905 1.00 0.00 N ATOM 0 H GLN A 79 -11.178 11.207 7.906 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.813 13.193 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.217 12.405 7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.363 13.720 6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.048 13.528 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.542 14.421 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.558 15.265 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.714 16.506 7.508 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.014 11.936 3.800 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.575 11.169 2.590 1.00 0.00 C ATOM 1175 C PHE A 80 -10.044 12.150 1.546 1.00 0.00 C ATOM 1176 O PHE A 80 -10.527 13.260 1.431 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.764 10.399 2.027 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.122 9.293 2.989 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.314 8.152 3.071 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.255 9.409 3.802 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.641 7.126 3.965 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.581 8.383 4.698 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.775 7.241 4.779 1.00 0.00 C ATOM 0 H PHE A 80 -11.635 12.721 3.605 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.787 10.464 2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.614 11.067 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.518 9.985 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.439 8.064 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.878 10.289 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.019 6.245 4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.455 8.473 5.327 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.028 6.449 5.469 1.00 0.00 H new ATOM 1193 N SER A 81 -9.034 11.760 0.802 1.00 0.00 N ATOM 1194 CA SER A 81 -8.439 12.676 -0.226 1.00 0.00 C ATOM 1195 C SER A 81 -8.539 12.072 -1.636 1.00 0.00 C ATOM 1196 O SER A 81 -8.834 12.765 -2.589 1.00 0.00 O ATOM 1197 CB SER A 81 -6.964 12.896 0.115 1.00 0.00 C ATOM 1198 OG SER A 81 -6.862 13.438 1.426 1.00 0.00 O ATOM 0 H SER A 81 -8.594 10.842 0.863 1.00 0.00 H new ATOM 0 HA SER A 81 -8.989 13.617 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.420 11.953 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.509 13.573 -0.608 1.00 0.00 H new ATOM 0 HG SER A 81 -6.064 14.004 1.485 1.00 0.00 H new ATOM 1204 N SER A 82 -8.266 10.798 -1.789 1.00 0.00 N ATOM 1205 CA SER A 82 -8.313 10.173 -3.157 1.00 0.00 C ATOM 1206 C SER A 82 -9.642 9.462 -3.411 1.00 0.00 C ATOM 1207 O SER A 82 -9.896 9.000 -4.505 1.00 0.00 O ATOM 1208 CB SER A 82 -7.182 9.155 -3.285 1.00 0.00 C ATOM 1209 OG SER A 82 -7.110 8.704 -4.632 1.00 0.00 O ATOM 0 H SER A 82 -8.013 10.163 -1.032 1.00 0.00 H new ATOM 0 HA SER A 82 -8.204 10.971 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.235 9.606 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.357 8.313 -2.616 1.00 0.00 H new ATOM 0 HG SER A 82 -8.013 8.660 -5.011 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.493 9.356 -2.435 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.788 8.657 -2.674 1.00 0.00 C ATOM 1217 C LEU A 83 -12.767 9.627 -3.341 1.00 0.00 C ATOM 1218 O LEU A 83 -13.967 9.525 -3.183 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.368 8.163 -1.345 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.335 7.321 -0.576 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.038 6.594 0.574 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -10.679 6.287 -1.502 1.00 0.00 C ATOM 0 H LEU A 83 -10.354 9.717 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.624 7.799 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.674 9.015 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.262 7.568 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.561 7.983 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.312 5.995 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.488 7.325 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.815 5.944 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.952 5.703 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.444 5.623 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.175 6.800 -2.321 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.256 10.563 -4.097 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.145 11.538 -4.792 1.00 0.00 C ATOM 1236 C HIS A 84 -13.736 10.879 -6.039 1.00 0.00 C ATOM 1237 O HIS A 84 -14.838 11.179 -6.453 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.331 12.763 -5.213 1.00 0.00 C ATOM 1239 CG HIS A 84 -11.719 13.393 -3.998 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -11.917 12.880 -2.728 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -10.906 14.487 -3.841 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.235 13.656 -1.868 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.601 14.652 -2.493 1.00 0.00 N ATOM 0 H HIS A 84 -11.258 10.694 -4.263 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.945 11.844 -4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.552 12.472 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.971 13.481 -5.725 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.556 15.123 -4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.203 13.494 -0.801 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.019 15.377 -2.073 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.002 9.986 -6.644 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.503 9.304 -7.870 1.00 0.00 C ATOM 1253 C VAL A 85 -14.554 8.264 -7.485 1.00 0.00 C ATOM 1254 O VAL A 85 -14.506 7.684 -6.417 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.337 8.612 -8.587 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -11.416 9.666 -9.200 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.538 7.769 -7.586 1.00 0.00 C ATOM 0 H VAL A 85 -12.072 9.698 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.951 10.042 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.734 7.967 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.588 9.173 -9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.977 10.267 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.026 10.311 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.711 7.280 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.145 8.413 -6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.189 7.014 -7.145 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.512 8.021 -8.344 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.568 7.017 -8.019 1.00 0.00 C ATOM 1269 C ARG A 86 -16.132 5.643 -8.531 1.00 0.00 C ATOM 1270 O ARG A 86 -16.807 5.017 -9.325 1.00 0.00 O ATOM 1271 CB ARG A 86 -17.884 7.419 -8.689 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.432 8.676 -8.017 1.00 0.00 C ATOM 1273 CD ARG A 86 -19.753 9.069 -8.680 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.135 10.457 -8.260 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.254 10.786 -7.001 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -20.231 9.875 -6.066 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -20.451 12.034 -6.682 1.00 0.00 N ATOM 0 H ARG A 86 -15.608 8.473 -9.253 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.712 6.977 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.723 7.602 -9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.607 6.607 -8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.585 8.496 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.713 9.491 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -19.655 9.021 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.536 8.365 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.306 11.163 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.119 8.892 -6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.325 10.146 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.511 12.744 -7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.545 12.301 -5.702 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.003 5.171 -8.072 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.502 3.838 -8.513 1.00 0.00 C ATOM 1293 C ASP A 87 -15.184 2.741 -7.695 1.00 0.00 C ATOM 1294 O ASP A 87 -15.865 3.007 -6.726 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.988 3.765 -8.301 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.291 4.687 -9.302 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.886 4.973 -10.328 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.173 5.089 -9.027 1.00 0.00 O ATOM 0 H ASP A 87 -14.403 5.656 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.728 3.697 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.738 4.060 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.640 2.740 -8.430 1.00 0.00 H new ATOM 1303 N THR A 88 -15.012 1.505 -8.083 1.00 0.00 N ATOM 1304 CA THR A 88 -15.652 0.383 -7.334 1.00 0.00 C ATOM 1305 C THR A 88 -14.656 -0.182 -6.319 1.00 0.00 C ATOM 1306 O THR A 88 -13.465 0.040 -6.411 1.00 0.00 O ATOM 1307 CB THR A 88 -16.050 -0.717 -8.321 1.00 0.00 C ATOM 1308 OG1 THR A 88 -16.402 -1.892 -7.605 1.00 0.00 O ATOM 1309 CG2 THR A 88 -14.874 -1.016 -9.252 1.00 0.00 C ATOM 0 H THR A 88 -14.454 1.223 -8.889 1.00 0.00 H new ATOM 0 HA THR A 88 -16.537 0.746 -6.812 1.00 0.00 H new ATOM 0 HB THR A 88 -16.904 -0.385 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.658 -2.596 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.157 -1.799 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.607 -0.114 -9.802 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.019 -1.348 -8.663 1.00 0.00 H new ATOM 1317 N LYS A 89 -15.138 -0.910 -5.349 1.00 0.00 N ATOM 1318 CA LYS A 89 -14.228 -1.493 -4.319 1.00 0.00 C ATOM 1319 C LYS A 89 -13.704 -2.849 -4.806 1.00 0.00 C ATOM 1320 O LYS A 89 -14.349 -3.533 -5.577 1.00 0.00 O ATOM 1321 CB LYS A 89 -15.002 -1.701 -3.017 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.486 -0.358 -2.471 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.257 -0.595 -1.168 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.756 0.737 -0.597 1.00 0.00 C ATOM 1325 NZ LYS A 89 -15.665 1.373 0.194 1.00 0.00 N ATOM 0 H LYS A 89 -16.127 -1.128 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.393 -0.813 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.853 -2.359 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.365 -2.193 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.638 0.303 -2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.126 0.137 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.102 -1.259 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.614 -1.092 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.068 1.398 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.629 0.571 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.892 1.315 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.769 0.878 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.572 2.371 -0.083 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.535 -3.239 -4.359 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.944 -4.550 -4.783 1.00 0.00 C ATOM 1341 C ILE A 90 -11.419 -5.296 -3.552 1.00 0.00 C ATOM 1342 O ILE A 90 -11.208 -4.714 -2.506 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.794 -4.290 -5.760 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.819 -3.283 -5.145 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -11.350 -3.720 -7.065 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.592 -3.144 -6.050 1.00 0.00 C ATOM 0 H ILE A 90 -11.959 -2.701 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.706 -5.157 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 90 -10.274 -5.226 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -10.307 -2.316 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.516 -3.614 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.531 -3.535 -7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -12.046 -4.433 -7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.870 -2.784 -6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.897 -2.427 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.101 -4.112 -6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.904 -2.794 -7.034 1.00 0.00 H new ATOM 1358 N GLU A 91 -11.207 -6.580 -3.669 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.696 -7.364 -2.507 1.00 0.00 C ATOM 1360 C GLU A 91 -9.289 -6.878 -2.148 1.00 0.00 C ATOM 1361 O GLU A 91 -8.509 -6.515 -3.007 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.642 -8.850 -2.877 1.00 0.00 C ATOM 1363 CG GLU A 91 -12.066 -9.397 -3.009 1.00 0.00 C ATOM 1364 CD GLU A 91 -12.013 -10.881 -3.380 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.933 -11.354 -3.698 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -13.053 -11.518 -3.344 1.00 0.00 O ATOM 0 H GLU A 91 -11.366 -7.120 -4.520 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.360 -7.226 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.102 -8.983 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.097 -9.406 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.606 -9.265 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.611 -8.840 -3.771 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.960 -6.864 -0.885 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.606 -6.398 -0.467 1.00 0.00 C ATOM 1375 C VAL A 92 -6.530 -7.263 -1.137 1.00 0.00 C ATOM 1376 O VAL A 92 -5.499 -6.774 -1.555 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.479 -6.511 1.057 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -6.031 -6.237 1.481 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.408 -5.490 1.726 1.00 0.00 C ATOM 0 H VAL A 92 -9.572 -7.156 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.471 -5.360 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.760 -7.518 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.948 -6.319 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.370 -6.965 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.745 -5.232 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.317 -5.571 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.129 -4.484 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.439 -5.689 1.432 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.756 -8.546 -1.228 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.742 -9.446 -1.854 1.00 0.00 C ATOM 1391 C ALA A 93 -5.252 -8.854 -3.182 1.00 0.00 C ATOM 1392 O ALA A 93 -4.065 -8.813 -3.457 1.00 0.00 O ATOM 1393 CB ALA A 93 -6.378 -10.816 -2.111 1.00 0.00 C ATOM 0 H ALA A 93 -7.600 -9.011 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.892 -9.550 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.643 -11.478 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.714 -11.244 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.230 -10.702 -2.781 1.00 0.00 H new ATOM 1399 N GLN A 94 -6.150 -8.404 -4.012 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.731 -7.832 -5.322 1.00 0.00 C ATOM 1401 C GLN A 94 -5.154 -6.430 -5.120 1.00 0.00 C ATOM 1402 O GLN A 94 -4.275 -6.003 -5.843 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.940 -7.758 -6.253 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.505 -7.198 -7.608 1.00 0.00 C ATOM 1405 CD GLN A 94 -7.685 -7.237 -8.575 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.755 -6.750 -8.270 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -7.535 -7.809 -9.736 1.00 0.00 N ATOM 0 H GLN A 94 -7.155 -8.407 -3.841 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.966 -8.471 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.376 -8.749 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.711 -7.124 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.148 -6.174 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.675 -7.782 -8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.636 -8.218 -9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.317 -7.848 -10.390 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.635 -5.712 -4.146 1.00 0.00 N ATOM 1417 CA PHE A 95 -5.102 -4.342 -3.906 1.00 0.00 C ATOM 1418 C PHE A 95 -3.609 -4.434 -3.609 1.00 0.00 C ATOM 1419 O PHE A 95 -2.806 -3.721 -4.178 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.813 -3.725 -2.701 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.239 -2.358 -2.427 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -4.090 -2.233 -1.638 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.846 -1.218 -2.966 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.549 -0.968 -1.385 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.304 0.046 -2.714 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.155 0.171 -1.924 1.00 0.00 C ATOM 0 H PHE A 95 -6.371 -6.012 -3.507 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.270 -3.723 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.883 -3.650 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.692 -4.364 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.621 -3.113 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.732 -1.314 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.664 -0.871 -0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.772 0.926 -3.129 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.736 1.148 -1.731 1.00 0.00 H new ATOM 1436 N VAL A 96 -3.231 -5.305 -2.720 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.791 -5.441 -2.385 1.00 0.00 C ATOM 1438 C VAL A 96 -1.013 -5.865 -3.632 1.00 0.00 C ATOM 1439 O VAL A 96 0.042 -5.337 -3.925 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.620 -6.505 -1.300 1.00 0.00 C ATOM 1441 CG1 VAL A 96 -0.131 -6.673 -0.979 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.379 -6.080 -0.041 1.00 0.00 C ATOM 0 H VAL A 96 -3.857 -5.929 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.412 -4.484 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.020 -7.455 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.009 -7.431 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.402 -6.982 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.274 -5.725 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.256 -6.839 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.984 -5.130 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.438 -5.968 -0.275 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.515 -6.824 -4.363 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.788 -7.286 -5.580 1.00 0.00 C ATOM 1454 C LYS A 97 -0.645 -6.134 -6.583 1.00 0.00 C ATOM 1455 O LYS A 97 0.413 -5.915 -7.137 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.568 -8.436 -6.219 1.00 0.00 C ATOM 1457 CG LYS A 97 -1.505 -9.659 -5.300 1.00 0.00 C ATOM 1458 CD LYS A 97 -2.282 -10.814 -5.931 1.00 0.00 C ATOM 1459 CE LYS A 97 -2.219 -12.037 -5.014 1.00 0.00 C ATOM 1460 NZ LYS A 97 -0.830 -12.575 -4.996 1.00 0.00 N ATOM 0 H LYS A 97 -2.393 -7.306 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 97 0.209 -7.626 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.605 -8.142 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.148 -8.678 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.468 -9.951 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.925 -9.415 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.319 -10.522 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.863 -11.057 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.527 -11.764 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.912 -12.802 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.834 -13.533 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.459 -12.612 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.226 -11.957 -4.418 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.691 -5.390 -6.824 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.582 -4.265 -7.800 1.00 0.00 C ATOM 1476 C ASP A 98 -0.520 -3.281 -7.310 1.00 0.00 C ATOM 1477 O ASP A 98 0.273 -2.772 -8.075 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.927 -3.543 -7.892 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.943 -4.445 -8.595 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.519 -5.362 -9.277 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -5.129 -4.206 -8.432 1.00 0.00 O ATOM 0 H ASP A 98 -2.608 -5.510 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.306 -4.654 -8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.283 -3.285 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.813 -2.608 -8.441 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.497 -3.022 -6.035 1.00 0.00 N ATOM 1487 CA LEU A 99 0.513 -2.084 -5.473 1.00 0.00 C ATOM 1488 C LEU A 99 1.919 -2.674 -5.656 1.00 0.00 C ATOM 1489 O LEU A 99 2.878 -1.969 -5.900 1.00 0.00 O ATOM 1490 CB LEU A 99 0.216 -1.876 -3.983 1.00 0.00 C ATOM 1491 CG LEU A 99 1.236 -0.912 -3.354 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.182 0.457 -4.050 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.905 -0.745 -1.866 1.00 0.00 C ATOM 0 H LEU A 99 -1.140 -3.423 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 99 0.466 -1.126 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.791 -1.478 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.246 -2.834 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 99 2.239 -1.321 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.910 1.127 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.414 0.337 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.183 0.880 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.622 -0.063 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.101 -0.339 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.959 -1.714 -1.370 1.00 0.00 H new ATOM 1505 N LEU A 100 2.042 -3.966 -5.510 1.00 0.00 N ATOM 1506 CA LEU A 100 3.375 -4.632 -5.637 1.00 0.00 C ATOM 1507 C LEU A 100 4.011 -4.384 -7.015 1.00 0.00 C ATOM 1508 O LEU A 100 5.192 -4.116 -7.108 1.00 0.00 O ATOM 1509 CB LEU A 100 3.186 -6.137 -5.405 1.00 0.00 C ATOM 1510 CG LEU A 100 4.495 -6.895 -5.657 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.637 -6.282 -4.833 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.299 -8.357 -5.248 1.00 0.00 C ATOM 0 H LEU A 100 1.267 -4.597 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 100 4.052 -4.211 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.850 -6.313 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.407 -6.517 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 100 4.755 -6.828 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.559 -6.832 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.771 -5.238 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.392 -6.340 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.222 -8.910 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.039 -8.407 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.496 -8.796 -5.840 1.00 0.00 H new ATOM 1524 N LEU A 101 3.271 -4.476 -8.087 1.00 0.00 N ATOM 1525 CA LEU A 101 3.907 -4.247 -9.426 1.00 0.00 C ATOM 1526 C LEU A 101 4.490 -2.832 -9.493 1.00 0.00 C ATOM 1527 O LEU A 101 5.571 -2.623 -10.006 1.00 0.00 O ATOM 1528 CB LEU A 101 2.867 -4.430 -10.548 1.00 0.00 C ATOM 1529 CG LEU A 101 2.674 -5.924 -10.880 1.00 0.00 C ATOM 1530 CD1 LEU A 101 3.878 -6.468 -11.670 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.504 -6.733 -9.589 1.00 0.00 C ATOM 0 H LEU A 101 2.275 -4.695 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 101 4.708 -4.974 -9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.915 -3.995 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.190 -3.894 -11.440 1.00 0.00 H new ATOM 0 HG LEU A 101 1.778 -6.022 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.720 -7.523 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.983 -5.912 -12.602 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.785 -6.355 -11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.368 -7.786 -9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.392 -6.617 -8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.631 -6.372 -9.046 1.00 0.00 H new ATOM 1543 N HIS A 102 3.787 -1.862 -8.990 1.00 0.00 N ATOM 1544 CA HIS A 102 4.309 -0.467 -9.038 1.00 0.00 C ATOM 1545 C HIS A 102 5.511 -0.300 -8.109 1.00 0.00 C ATOM 1546 O HIS A 102 6.452 0.390 -8.433 1.00 0.00 O ATOM 1547 CB HIS A 102 3.203 0.515 -8.634 1.00 0.00 C ATOM 1548 CG HIS A 102 2.270 0.706 -9.794 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.483 1.687 -10.747 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.144 0.033 -10.189 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.510 1.578 -11.665 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.664 0.584 -11.374 1.00 0.00 N ATOM 0 H HIS A 102 2.874 -1.971 -8.548 1.00 0.00 H new ATOM 0 HA HIS A 102 4.631 -0.257 -10.058 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.657 0.133 -7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.637 1.470 -8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.697 -0.797 -9.662 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.421 2.215 -12.533 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.156 0.292 -11.906 1.00 0.00 H new ATOM 1560 N LEU A 103 5.491 -0.893 -6.952 1.00 0.00 N ATOM 1561 CA LEU A 103 6.644 -0.704 -6.028 1.00 0.00 C ATOM 1562 C LEU A 103 7.933 -1.179 -6.707 1.00 0.00 C ATOM 1563 O LEU A 103 8.916 -0.470 -6.744 1.00 0.00 O ATOM 1564 CB LEU A 103 6.409 -1.519 -4.750 1.00 0.00 C ATOM 1565 CG LEU A 103 5.265 -0.904 -3.919 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.881 -1.873 -2.790 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.703 0.443 -3.307 1.00 0.00 C ATOM 0 H LEU A 103 4.740 -1.492 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 103 6.738 0.352 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.165 -2.549 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.323 -1.547 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 103 4.410 -0.731 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.072 -1.442 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.552 -2.820 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.746 -2.046 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.883 0.862 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.565 0.285 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.971 1.135 -4.105 1.00 0.00 H new ATOM 1579 N LYS A 104 7.943 -2.358 -7.258 1.00 0.00 N ATOM 1580 CA LYS A 104 9.180 -2.844 -7.937 1.00 0.00 C ATOM 1581 C LYS A 104 9.436 -2.031 -9.213 1.00 0.00 C ATOM 1582 O LYS A 104 10.544 -1.971 -9.710 1.00 0.00 O ATOM 1583 CB LYS A 104 9.035 -4.330 -8.284 1.00 0.00 C ATOM 1584 CG LYS A 104 7.826 -4.545 -9.208 1.00 0.00 C ATOM 1585 CD LYS A 104 7.734 -6.028 -9.621 1.00 0.00 C ATOM 1586 CE LYS A 104 6.987 -6.837 -8.550 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.353 -8.277 -8.664 1.00 0.00 N ATOM 0 H LYS A 104 7.155 -3.005 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 104 10.027 -2.716 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.942 -4.687 -8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.913 -4.914 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.911 -4.243 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.919 -3.917 -10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.218 -6.114 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.735 -6.436 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.240 -6.465 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.911 -6.714 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.846 -8.823 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.091 -8.628 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.378 -8.387 -8.527 1.00 0.00 H new ATOM 1601 N LYS A 105 8.414 -1.428 -9.759 1.00 0.00 N ATOM 1602 CA LYS A 105 8.584 -0.644 -11.020 1.00 0.00 C ATOM 1603 C LYS A 105 9.493 0.574 -10.795 1.00 0.00 C ATOM 1604 O LYS A 105 10.416 0.811 -11.551 1.00 0.00 O ATOM 1605 CB LYS A 105 7.204 -0.182 -11.497 1.00 0.00 C ATOM 1606 CG LYS A 105 7.326 0.529 -12.848 1.00 0.00 C ATOM 1607 CD LYS A 105 5.931 0.928 -13.338 1.00 0.00 C ATOM 1608 CE LYS A 105 6.046 1.650 -14.683 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.651 0.734 -15.692 1.00 0.00 N ATOM 0 H LYS A 105 7.465 -1.444 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 105 9.054 -1.276 -11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.536 -1.039 -11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.763 0.491 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.956 1.413 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.806 -0.127 -13.575 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.304 0.042 -13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.449 1.576 -12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.061 1.976 -15.017 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.659 2.545 -14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.427 1.075 -16.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.683 0.711 -15.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.266 -0.224 -15.566 1.00 0.00 H new ATOM 1623 N LEU A 106 9.248 1.353 -9.776 1.00 0.00 N ATOM 1624 CA LEU A 106 10.112 2.550 -9.534 1.00 0.00 C ATOM 1625 C LEU A 106 11.555 2.115 -9.244 1.00 0.00 C ATOM 1626 O LEU A 106 12.489 2.843 -9.512 1.00 0.00 O ATOM 1627 CB LEU A 106 9.575 3.366 -8.347 1.00 0.00 C ATOM 1628 CG LEU A 106 8.397 4.259 -8.786 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.884 5.406 -9.697 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.351 3.419 -9.528 1.00 0.00 C ATOM 0 H LEU A 106 8.493 1.216 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 106 10.097 3.170 -10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.251 2.693 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.372 3.984 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 106 7.948 4.693 -7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.034 6.021 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.605 6.019 -9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.357 4.989 -10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.522 4.057 -9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.806 2.967 -10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.980 2.635 -8.868 1.00 0.00 H new ATOM 1642 N PHE A 107 11.752 0.954 -8.682 1.00 0.00 N ATOM 1643 CA PHE A 107 13.144 0.521 -8.369 1.00 0.00 C ATOM 1644 C PHE A 107 13.968 0.459 -9.657 1.00 0.00 C ATOM 1645 O PHE A 107 15.123 0.837 -9.684 1.00 0.00 O ATOM 1646 CB PHE A 107 13.130 -0.864 -7.717 1.00 0.00 C ATOM 1647 CG PHE A 107 14.552 -1.271 -7.414 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.196 -0.744 -6.290 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.229 -2.163 -8.256 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.515 -1.105 -6.005 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.552 -2.527 -7.970 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.195 -1.997 -6.844 1.00 0.00 C ATOM 0 H PHE A 107 11.018 0.292 -8.428 1.00 0.00 H new ATOM 0 HA PHE A 107 13.588 1.241 -7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.539 -0.844 -6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.663 -1.590 -8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.673 -0.057 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.732 -2.570 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.011 -0.696 -5.137 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.075 -3.215 -8.617 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.215 -2.276 -6.623 1.00 0.00 H new ATOM 1662 N ARG A 108 13.389 -0.015 -10.723 1.00 0.00 N ATOM 1663 CA ARG A 108 14.144 -0.100 -12.004 1.00 0.00 C ATOM 1664 C ARG A 108 14.595 1.301 -12.425 1.00 0.00 C ATOM 1665 O ARG A 108 15.678 1.485 -12.945 1.00 0.00 O ATOM 1666 CB ARG A 108 13.248 -0.704 -13.085 1.00 0.00 C ATOM 1667 CG ARG A 108 13.020 -2.183 -12.771 1.00 0.00 C ATOM 1668 CD ARG A 108 12.123 -2.803 -13.846 1.00 0.00 C ATOM 1669 NE ARG A 108 11.646 -4.155 -13.396 1.00 0.00 N ATOM 1670 CZ ARG A 108 12.480 -5.099 -13.047 1.00 0.00 C ATOM 1671 NH1 ARG A 108 13.761 -4.967 -13.258 1.00 0.00 N ATOM 1672 NH2 ARG A 108 12.020 -6.210 -12.538 1.00 0.00 N ATOM 0 H ARG A 108 12.426 -0.347 -10.764 1.00 0.00 H new ATOM 0 HA ARG A 108 15.021 -0.734 -11.870 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.295 -0.176 -13.123 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.713 -0.594 -14.065 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.974 -2.708 -12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.557 -2.290 -11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.270 -2.153 -14.040 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.673 -2.895 -14.783 1.00 0.00 H new ATOM 0 HE ARG A 108 10.644 -4.341 -13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.121 -4.121 -13.699 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.403 -5.710 -12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.015 -6.337 -12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.665 -6.951 -12.264 1.00 0.00 H new ATOM 1686 N GLU A 109 13.771 2.290 -12.210 1.00 0.00 N ATOM 1687 CA GLU A 109 14.151 3.676 -12.603 1.00 0.00 C ATOM 1688 C GLU A 109 14.973 4.323 -11.483 1.00 0.00 C ATOM 1689 O GLU A 109 15.557 5.374 -11.658 1.00 0.00 O ATOM 1690 CB GLU A 109 12.879 4.489 -12.841 1.00 0.00 C ATOM 1691 CG GLU A 109 12.154 3.939 -14.070 1.00 0.00 C ATOM 1692 CD GLU A 109 10.879 4.745 -14.317 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.526 5.536 -13.458 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.277 4.558 -15.361 1.00 0.00 O ATOM 0 H GLU A 109 12.851 2.198 -11.779 1.00 0.00 H new ATOM 0 HA GLU A 109 14.749 3.650 -13.514 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.230 4.436 -11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.127 5.540 -12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.805 3.992 -14.943 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.908 2.888 -13.920 1.00 0.00 H new ATOM 1701 N GLY A 110 15.032 3.699 -10.338 1.00 0.00 N ATOM 1702 CA GLY A 110 15.825 4.273 -9.214 1.00 0.00 C ATOM 1703 C GLY A 110 15.278 5.652 -8.845 1.00 0.00 C ATOM 1704 O GLY A 110 15.874 6.377 -8.072 1.00 0.00 O ATOM 0 H GLY A 110 14.565 2.816 -10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.780 3.611 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.874 4.352 -9.500 1.00 0.00 H new ATOM 1708 N ARG A 111 14.143 6.023 -9.380 1.00 0.00 N ATOM 1709 CA ARG A 111 13.558 7.355 -9.043 1.00 0.00 C ATOM 1710 C ARG A 111 12.591 7.171 -7.878 1.00 0.00 C ATOM 1711 O ARG A 111 11.439 6.829 -8.055 1.00 0.00 O ATOM 1712 CB ARG A 111 12.808 7.910 -10.255 1.00 0.00 C ATOM 1713 CG ARG A 111 13.814 8.296 -11.341 1.00 0.00 C ATOM 1714 CD ARG A 111 13.063 8.849 -12.551 1.00 0.00 C ATOM 1715 NE ARG A 111 14.037 9.241 -13.606 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.623 9.460 -14.822 1.00 0.00 C ATOM 1717 NH1 ARG A 111 12.360 9.318 -15.117 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.472 9.822 -15.743 1.00 0.00 N ATOM 0 H ARG A 111 13.597 5.462 -10.034 1.00 0.00 H new ATOM 0 HA ARG A 111 14.347 8.055 -8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 111 12.111 7.165 -10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 111 12.218 8.779 -9.965 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.511 9.042 -10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.405 7.427 -11.631 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.374 8.098 -12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.463 9.710 -12.257 1.00 0.00 H new ATOM 0 HE ARG A 111 15.026 9.338 -13.378 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.696 9.036 -14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.036 9.490 -16.069 1.00 0.00 H new ATOM 0 HH21 ARG A 111 15.459 9.933 -15.511 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.149 9.994 -16.695 1.00 0.00 H new ATOM 1732 N PHE A 112 13.067 7.373 -6.682 1.00 0.00 N ATOM 1733 CA PHE A 112 12.208 7.189 -5.479 1.00 0.00 C ATOM 1734 C PHE A 112 11.500 8.498 -5.129 1.00 0.00 C ATOM 1735 O PHE A 112 12.079 9.566 -5.182 1.00 0.00 O ATOM 1736 CB PHE A 112 13.102 6.748 -4.323 1.00 0.00 C ATOM 1737 CG PHE A 112 13.881 5.533 -4.767 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.291 4.269 -4.709 1.00 0.00 C ATOM 1739 CD2 PHE A 112 15.185 5.674 -5.257 1.00 0.00 C ATOM 1740 CE1 PHE A 112 14.004 3.144 -5.139 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.898 4.547 -5.685 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.306 3.283 -5.626 1.00 0.00 C ATOM 0 H PHE A 112 14.025 7.661 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 112 11.445 6.435 -5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.781 7.552 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.500 6.514 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.285 4.159 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.641 6.652 -5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.547 2.167 -5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.905 4.655 -6.060 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.855 2.414 -5.957 1.00 0.00 H new ATOM 1752 N ASN A 113 10.248 8.418 -4.766 1.00 0.00 N ATOM 1753 CA ASN A 113 9.490 9.647 -4.405 1.00 0.00 C ATOM 1754 C ASN A 113 9.604 10.671 -5.536 1.00 0.00 C ATOM 1755 CB ASN A 113 10.069 10.241 -3.118 1.00 0.00 C ATOM 1756 CG ASN A 113 10.029 9.188 -2.008 1.00 0.00 C ATOM 1757 OD1 ASN A 113 9.036 8.513 -1.831 1.00 0.00 O ATOM 1758 ND2 ASN A 113 11.076 9.022 -1.245 1.00 0.00 N ATOM 1759 OXT ASN A 113 10.404 11.583 -5.405 1.00 0.00 O ATOM 0 H ASN A 113 9.717 7.549 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 113 8.441 9.394 -4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.095 10.570 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.497 11.120 -2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.059 8.325 -0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.911 9.589 -1.394 1.00 0.00 H new