USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 884 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: B 9 GLN : amide:sc= -6.08! C(o=-4.8!,f=-4.8!) USER MOD Set 1.2: B 11 THR OG1 : rot 21:sc= 1.26 USER MOD Set 2.1: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 86 THR OG1 : rot 87:sc= 1.25 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -178:sc= -0.281 (180deg=0.133) USER MOD Set 3.2: A 33 ASN : amide:sc= -3.67 K(o=-4,f=-1.5!) USER MOD Single : A 8 THR OG1 : rot 22:sc= -2.93! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.5) USER MOD Single : A 21 SER OG : rot 70:sc= -0.508 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0899 USER MOD Single : A 29 SER OG : rot 60:sc= 0.72 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 36 LYS NZ :NH3+ 128:sc= 1.15 (180deg=0.546) USER MOD Single : A 38 ASN : amide:sc= -2.07 K(o=-2.1,f=-5.5!) USER MOD Single : A 39 HIS : no HE2:sc= 0.159 K(o=0.16,f=-0.58) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.48 X(o=-1.5,f=-1!) USER MOD Single : A 56 SER OG : rot -97:sc= -2.3! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.975 K(o=-0.98,f=-0.34) USER MOD Single : A 66 GLN : amide:sc= -0.981 X(o=-0.98,f=-1.2) USER MOD Single : A 71 ASN : amide:sc= -5.38! C(o=-5.4!,f=-4.2!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.167 USER MOD Single : A 80 ASN : amide:sc= -0.79 K(o=-0.79,f=-7.5!) USER MOD Single : A 81 GLN : amide:sc= -5.3! C(o=-5.3!,f=-13!) USER MOD Single : A 84 MET CE :methyl 176:sc= -2.67 (180deg=-2.68) USER MOD Single : A 90 SER OG : rot 92:sc= 1.54 USER MOD Single : A 91 MET CE :methyl 172:sc= -7.96! (180deg=-8.34!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.21! K(o=-2.2!,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -168:sc= -3.22! (180deg=-3.77!) USER MOD Single : A 102 GLN : amide:sc= -2.06 K(o=-2.1,f=-0.59) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= -3.46! C(o=-3.5!,f=-2.6!) USER MOD Single : B 7 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=-0.31) USER MOD Single : B 8 SER OG : rot 180:sc= 0.00996 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -8.184 -11.287 -6.485 1.00 0.00 N ATOM 2 CA GLY A 7 -6.951 -10.521 -6.473 1.00 0.00 C ATOM 3 C GLY A 7 -7.190 -9.043 -6.246 1.00 0.00 C ATOM 4 O GLY A 7 -6.747 -8.482 -5.244 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.296 -10.904 -5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.431 -10.661 -7.421 1.00 0.00 H new ATOM 8 N THR A 8 -7.893 -8.409 -7.181 1.00 0.00 N ATOM 9 CA THR A 8 -8.195 -6.983 -7.083 1.00 0.00 C ATOM 10 C THR A 8 -6.940 -6.171 -6.773 1.00 0.00 C ATOM 11 O THR A 8 -7.000 -5.167 -6.063 1.00 0.00 O ATOM 12 CB THR A 8 -9.257 -6.739 -6.010 1.00 0.00 C ATOM 13 OG1 THR A 8 -8.960 -7.469 -4.833 1.00 0.00 O ATOM 14 CG2 THR A 8 -10.651 -7.130 -6.450 1.00 0.00 C ATOM 0 H THR A 8 -8.265 -8.861 -8.016 1.00 0.00 H new ATOM 0 HA THR A 8 -8.580 -6.655 -8.048 1.00 0.00 H new ATOM 0 HB THR A 8 -9.237 -5.665 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.005 -7.687 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.356 -6.932 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.932 -6.549 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.670 -8.192 -6.696 1.00 0.00 H new ATOM 22 N ARG A 9 -5.808 -6.611 -7.311 1.00 0.00 N ATOM 23 CA ARG A 9 -4.541 -5.923 -7.092 1.00 0.00 C ATOM 24 C ARG A 9 -4.282 -4.907 -8.200 1.00 0.00 C ATOM 25 O ARG A 9 -4.138 -5.270 -9.368 1.00 0.00 O ATOM 26 CB ARG A 9 -3.392 -6.932 -7.026 1.00 0.00 C ATOM 27 CG ARG A 9 -3.035 -7.354 -5.610 1.00 0.00 C ATOM 28 CD ARG A 9 -1.534 -7.307 -5.373 1.00 0.00 C ATOM 29 NE ARG A 9 -1.149 -8.016 -4.154 1.00 0.00 N ATOM 30 CZ ARG A 9 -1.025 -9.338 -4.074 1.00 0.00 C ATOM 31 NH1 ARG A 9 -1.258 -10.100 -5.136 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.668 -9.902 -2.930 1.00 0.00 N ATOM 0 H ARG A 9 -5.742 -7.440 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.600 -5.393 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.662 -7.816 -7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.511 -6.499 -7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.537 -6.700 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.401 -8.364 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.018 -7.747 -6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.210 -6.268 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.965 -7.465 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.534 -9.672 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.161 -11.113 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.488 -9.323 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.573 -10.916 -2.869 1.00 0.00 H new ATOM 46 N GLU A 10 -4.225 -3.632 -7.828 1.00 0.00 N ATOM 47 CA GLU A 10 -3.989 -2.564 -8.793 1.00 0.00 C ATOM 48 C GLU A 10 -2.778 -1.725 -8.397 1.00 0.00 C ATOM 49 O GLU A 10 -2.445 -1.611 -7.217 1.00 0.00 O ATOM 50 CB GLU A 10 -5.226 -1.671 -8.907 1.00 0.00 C ATOM 51 CG GLU A 10 -5.648 -1.047 -7.588 1.00 0.00 C ATOM 52 CD GLU A 10 -6.587 0.129 -7.775 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.603 -0.030 -8.483 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.305 1.209 -7.213 1.00 0.00 O ATOM 0 H GLU A 10 -4.339 -3.313 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.787 -3.023 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.026 -0.878 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.054 -2.260 -9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.136 -1.803 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.762 -0.717 -7.046 1.00 0.00 H new ATOM 61 N PHE A 11 -2.126 -1.134 -9.394 1.00 0.00 N ATOM 62 CA PHE A 11 -0.953 -0.300 -9.159 1.00 0.00 C ATOM 63 C PHE A 11 -1.351 1.170 -9.056 1.00 0.00 C ATOM 64 O PHE A 11 -2.301 1.612 -9.700 1.00 0.00 O ATOM 65 CB PHE A 11 0.069 -0.487 -10.283 1.00 0.00 C ATOM 66 CG PHE A 11 0.252 -1.919 -10.698 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.969 -2.799 -9.905 1.00 0.00 C ATOM 68 CD2 PHE A 11 -0.295 -2.385 -11.884 1.00 0.00 C ATOM 69 CE1 PHE A 11 1.138 -4.118 -10.285 1.00 0.00 C ATOM 70 CE2 PHE A 11 -0.129 -3.702 -12.270 1.00 0.00 C ATOM 71 CZ PHE A 11 0.588 -4.569 -11.469 1.00 0.00 C ATOM 0 H PHE A 11 -2.392 -1.218 -10.375 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.500 -0.606 -8.216 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.245 0.096 -11.149 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.029 -0.086 -9.960 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.401 -2.451 -8.979 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.857 -1.711 -12.513 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.699 -4.794 -9.657 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.559 -4.052 -13.197 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.718 -5.599 -11.768 1.00 0.00 H new ATOM 81 N LEU A 12 -0.623 1.923 -8.236 1.00 0.00 N ATOM 82 CA LEU A 12 -0.909 3.340 -8.048 1.00 0.00 C ATOM 83 C LEU A 12 0.366 4.177 -8.106 1.00 0.00 C ATOM 84 O LEU A 12 1.198 4.122 -7.202 1.00 0.00 O ATOM 85 CB LEU A 12 -1.614 3.576 -6.707 1.00 0.00 C ATOM 86 CG LEU A 12 -2.563 2.460 -6.257 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.331 2.119 -4.792 1.00 0.00 C ATOM 88 CD2 LEU A 12 -4.012 2.865 -6.487 1.00 0.00 C ATOM 0 H LEU A 12 0.167 1.576 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.566 3.650 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.855 3.717 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.179 4.506 -6.772 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.355 1.572 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.014 1.325 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.303 1.785 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.510 3.003 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.671 2.060 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.232 3.767 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.172 3.058 -7.548 1.00 0.00 H new ATOM 100 N THR A 13 0.504 4.960 -9.172 1.00 0.00 N ATOM 101 CA THR A 13 1.667 5.820 -9.345 1.00 0.00 C ATOM 102 C THR A 13 1.354 7.236 -8.867 1.00 0.00 C ATOM 103 O THR A 13 0.325 7.806 -9.235 1.00 0.00 O ATOM 104 CB THR A 13 2.094 5.841 -10.813 1.00 0.00 C ATOM 105 OG1 THR A 13 2.363 4.529 -11.278 1.00 0.00 O ATOM 106 CG2 THR A 13 3.326 6.680 -11.063 1.00 0.00 C ATOM 0 H THR A 13 -0.177 5.016 -9.929 1.00 0.00 H new ATOM 0 HA THR A 13 2.487 5.423 -8.747 1.00 0.00 H new ATOM 0 HB THR A 13 1.256 6.284 -11.352 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.633 4.565 -12.219 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.576 6.653 -12.124 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.132 7.710 -10.762 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.160 6.284 -10.484 1.00 0.00 H new ATOM 114 N PHE A 14 2.227 7.796 -8.032 1.00 0.00 N ATOM 115 CA PHE A 14 2.009 9.138 -7.501 1.00 0.00 C ATOM 116 C PHE A 14 3.298 9.950 -7.437 1.00 0.00 C ATOM 117 O PHE A 14 4.392 9.436 -7.661 1.00 0.00 O ATOM 118 CB PHE A 14 1.386 9.056 -6.108 1.00 0.00 C ATOM 119 CG PHE A 14 0.098 8.286 -6.073 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.951 8.628 -6.910 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.062 7.219 -5.203 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.138 7.922 -6.880 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.247 6.509 -5.169 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.286 6.861 -6.007 1.00 0.00 C ATOM 0 H PHE A 14 3.084 7.346 -7.711 1.00 0.00 H new ATOM 0 HA PHE A 14 1.329 9.648 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.098 8.589 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.207 10.066 -5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.840 9.456 -7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.748 6.940 -4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.949 8.199 -7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.360 5.679 -4.487 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.213 6.308 -5.980 1.00 0.00 H new ATOM 134 N GLU A 15 3.145 11.230 -7.113 1.00 0.00 N ATOM 135 CA GLU A 15 4.271 12.150 -6.992 1.00 0.00 C ATOM 136 C GLU A 15 4.189 12.875 -5.652 1.00 0.00 C ATOM 137 O GLU A 15 3.274 13.665 -5.418 1.00 0.00 O ATOM 138 CB GLU A 15 4.272 13.158 -8.147 1.00 0.00 C ATOM 139 CG GLU A 15 3.472 12.710 -9.360 1.00 0.00 C ATOM 140 CD GLU A 15 2.040 13.205 -9.330 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.208 12.575 -8.643 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.749 14.223 -9.994 1.00 0.00 O ATOM 0 H GLU A 15 2.238 11.659 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 15 5.201 11.584 -7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.869 14.106 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.302 13.344 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.959 13.072 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.475 11.621 -9.410 1.00 0.00 H new ATOM 149 N VAL A 16 5.129 12.577 -4.760 1.00 0.00 N ATOM 150 CA VAL A 16 5.132 13.175 -3.429 1.00 0.00 C ATOM 151 C VAL A 16 6.174 14.283 -3.284 1.00 0.00 C ATOM 152 O VAL A 16 7.375 14.029 -3.376 1.00 0.00 O ATOM 153 CB VAL A 16 5.406 12.111 -2.349 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.097 12.660 -0.966 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.604 10.848 -2.621 1.00 0.00 C ATOM 0 H VAL A 16 5.896 11.927 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 16 4.141 13.609 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 16 6.464 11.853 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.297 11.894 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.724 13.530 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.048 12.951 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.813 10.110 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.540 11.085 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.883 10.442 -3.593 1.00 0.00 H new ATOM 165 N PRO A 17 5.731 15.532 -3.027 1.00 0.00 N ATOM 166 CA PRO A 17 6.636 16.661 -2.841 1.00 0.00 C ATOM 167 C PRO A 17 7.098 16.764 -1.391 1.00 0.00 C ATOM 168 O PRO A 17 6.276 16.777 -0.475 1.00 0.00 O ATOM 169 CB PRO A 17 5.753 17.848 -3.209 1.00 0.00 C ATOM 170 CG PRO A 17 4.385 17.444 -2.767 1.00 0.00 C ATOM 171 CD PRO A 17 4.321 15.938 -2.875 1.00 0.00 C ATOM 0 HA PRO A 17 7.548 16.587 -3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.081 18.758 -2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.782 18.048 -4.280 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.198 17.767 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.623 17.910 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.871 15.493 -1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.721 15.624 -3.729 1.00 0.00 H new ATOM 179 N LEU A 18 8.409 16.823 -1.180 1.00 0.00 N ATOM 180 CA LEU A 18 8.953 16.901 0.173 1.00 0.00 C ATOM 181 C LEU A 18 9.752 18.176 0.390 1.00 0.00 C ATOM 182 O LEU A 18 10.666 18.212 1.212 1.00 0.00 O ATOM 183 CB LEU A 18 9.845 15.700 0.438 1.00 0.00 C ATOM 184 CG LEU A 18 10.877 15.459 -0.652 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.238 15.150 -0.045 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.430 14.337 -1.575 1.00 0.00 C ATOM 0 H LEU A 18 9.110 16.818 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 18 8.111 16.907 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.359 15.842 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.223 14.811 0.541 1.00 0.00 H new ATOM 0 HG LEU A 18 10.969 16.370 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.962 14.981 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.563 15.991 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.165 14.256 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.182 14.180 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.305 13.420 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.482 14.605 -2.041 1.00 0.00 H new ATOM 198 N ASN A 19 9.393 19.220 -0.343 1.00 0.00 N ATOM 199 CA ASN A 19 10.063 20.519 -0.227 1.00 0.00 C ATOM 200 C ASN A 19 10.397 20.841 1.230 1.00 0.00 C ATOM 201 O ASN A 19 11.386 21.513 1.522 1.00 0.00 O ATOM 202 CB ASN A 19 9.184 21.633 -0.805 1.00 0.00 C ATOM 203 CG ASN A 19 7.705 21.278 -0.815 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.093 21.157 -1.877 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.124 21.108 0.368 1.00 0.00 N ATOM 0 H ASN A 19 8.639 19.198 -1.029 1.00 0.00 H new ATOM 0 HA ASN A 19 10.992 20.460 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.330 22.543 -0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.506 21.852 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.134 20.868 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.668 21.218 1.224 1.00 0.00 H new ATOM 212 N ASP A 20 9.563 20.344 2.137 1.00 0.00 N ATOM 213 CA ASP A 20 9.756 20.557 3.565 1.00 0.00 C ATOM 214 C ASP A 20 10.050 19.234 4.257 1.00 0.00 C ATOM 215 O ASP A 20 10.772 19.186 5.253 1.00 0.00 O ATOM 216 CB ASP A 20 8.515 21.197 4.186 1.00 0.00 C ATOM 217 CG ASP A 20 8.198 22.552 3.587 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.057 22.635 2.348 1.00 0.00 O ATOM 219 OD2 ASP A 20 8.091 23.532 4.355 1.00 0.00 O ATOM 0 H ASP A 20 8.741 19.787 1.905 1.00 0.00 H new ATOM 0 HA ASP A 20 10.603 21.230 3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.661 20.534 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.665 21.305 5.260 1.00 0.00 H new ATOM 224 N SER A 21 9.482 18.162 3.717 1.00 0.00 N ATOM 225 CA SER A 21 9.675 16.832 4.271 1.00 0.00 C ATOM 226 C SER A 21 11.089 16.322 3.997 1.00 0.00 C ATOM 227 O SER A 21 11.485 15.276 4.511 1.00 0.00 O ATOM 228 CB SER A 21 8.645 15.867 3.685 1.00 0.00 C ATOM 229 OG SER A 21 8.398 14.786 4.566 1.00 0.00 O ATOM 0 H SER A 21 8.882 18.191 2.893 1.00 0.00 H new ATOM 0 HA SER A 21 9.539 16.890 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.714 16.399 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.003 15.486 2.728 1.00 0.00 H new ATOM 0 HG SER A 21 7.911 15.110 5.353 1.00 0.00 H new ATOM 235 N GLY A 22 11.850 17.066 3.188 1.00 0.00 N ATOM 236 CA GLY A 22 13.212 16.664 2.875 1.00 0.00 C ATOM 237 C GLY A 22 13.985 16.204 4.100 1.00 0.00 C ATOM 238 O GLY A 22 14.891 15.376 3.998 1.00 0.00 O ATOM 0 H GLY A 22 11.547 17.935 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.189 15.858 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.736 17.501 2.413 1.00 0.00 H new ATOM 242 N SER A 23 13.620 16.741 5.261 1.00 0.00 N ATOM 243 CA SER A 23 14.277 16.378 6.512 1.00 0.00 C ATOM 244 C SER A 23 13.644 15.127 7.114 1.00 0.00 C ATOM 245 O SER A 23 14.331 14.298 7.712 1.00 0.00 O ATOM 246 CB SER A 23 14.196 17.535 7.510 1.00 0.00 C ATOM 247 OG SER A 23 13.051 18.334 7.272 1.00 0.00 O ATOM 0 H SER A 23 12.873 17.429 5.361 1.00 0.00 H new ATOM 0 HA SER A 23 15.324 16.167 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.164 17.141 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.094 18.149 7.434 1.00 0.00 H new ATOM 0 HG SER A 23 13.021 19.065 7.924 1.00 0.00 H new ATOM 253 N ALA A 24 12.330 14.996 6.949 1.00 0.00 N ATOM 254 CA ALA A 24 11.603 13.844 7.473 1.00 0.00 C ATOM 255 C ALA A 24 11.585 12.692 6.471 1.00 0.00 C ATOM 256 O ALA A 24 10.879 11.703 6.668 1.00 0.00 O ATOM 257 CB ALA A 24 10.178 14.239 7.838 1.00 0.00 C ATOM 0 H ALA A 24 11.748 15.673 6.457 1.00 0.00 H new ATOM 0 HA ALA A 24 12.122 13.504 8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.648 13.370 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.200 15.021 8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.665 14.610 6.951 1.00 0.00 H new ATOM 263 N GLY A 25 12.355 12.824 5.392 1.00 0.00 N ATOM 264 CA GLY A 25 12.395 11.784 4.381 1.00 0.00 C ATOM 265 C GLY A 25 11.243 11.901 3.403 1.00 0.00 C ATOM 266 O GLY A 25 11.450 11.971 2.191 1.00 0.00 O ATOM 0 H GLY A 25 12.949 13.631 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.339 11.841 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.364 10.807 4.864 1.00 0.00 H new ATOM 270 N LEU A 26 10.027 11.932 3.935 1.00 0.00 N ATOM 271 CA LEU A 26 8.830 12.053 3.114 1.00 0.00 C ATOM 272 C LEU A 26 7.582 12.112 3.988 1.00 0.00 C ATOM 273 O LEU A 26 6.633 12.828 3.677 1.00 0.00 O ATOM 274 CB LEU A 26 8.728 10.892 2.126 1.00 0.00 C ATOM 275 CG LEU A 26 8.067 11.241 0.791 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.752 12.443 0.152 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.095 10.047 -0.151 1.00 0.00 C ATOM 0 H LEU A 26 9.844 11.875 4.937 1.00 0.00 H new ATOM 0 HA LEU A 26 8.903 12.982 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.730 10.511 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.165 10.084 2.594 1.00 0.00 H new ATOM 0 HG LEU A 26 7.026 11.500 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.268 12.676 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.676 13.302 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.803 12.212 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.620 10.317 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.128 9.754 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.557 9.214 0.301 1.00 0.00 H new ATOM 289 N GLY A 27 7.592 11.365 5.088 1.00 0.00 N ATOM 290 CA GLY A 27 6.454 11.369 5.988 1.00 0.00 C ATOM 291 C GLY A 27 5.755 10.028 6.079 1.00 0.00 C ATOM 292 O GLY A 27 4.526 9.972 6.110 1.00 0.00 O ATOM 0 H GLY A 27 8.363 10.760 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.788 11.665 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.739 12.121 5.655 1.00 0.00 H new ATOM 296 N VAL A 28 6.525 8.944 6.126 1.00 0.00 N ATOM 297 CA VAL A 28 5.942 7.609 6.219 1.00 0.00 C ATOM 298 C VAL A 28 6.920 6.601 6.812 1.00 0.00 C ATOM 299 O VAL A 28 8.134 6.787 6.755 1.00 0.00 O ATOM 300 CB VAL A 28 5.481 7.087 4.840 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.551 8.084 4.173 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.677 6.792 3.942 1.00 0.00 C ATOM 0 H VAL A 28 7.545 8.963 6.102 1.00 0.00 H new ATOM 0 HA VAL A 28 5.079 7.707 6.878 1.00 0.00 H new ATOM 0 HB VAL A 28 4.935 6.157 4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.238 7.697 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.674 8.240 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.072 9.031 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.326 6.426 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.256 7.704 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.306 6.035 4.410 1.00 0.00 H new ATOM 312 N SER A 29 6.373 5.520 7.355 1.00 0.00 N ATOM 313 CA SER A 29 7.179 4.455 7.934 1.00 0.00 C ATOM 314 C SER A 29 6.963 3.172 7.140 1.00 0.00 C ATOM 315 O SER A 29 5.846 2.664 7.070 1.00 0.00 O ATOM 316 CB SER A 29 6.812 4.240 9.405 1.00 0.00 C ATOM 317 OG SER A 29 6.040 5.320 9.902 1.00 0.00 O ATOM 0 H SER A 29 5.367 5.359 7.406 1.00 0.00 H new ATOM 0 HA SER A 29 8.231 4.737 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.253 3.310 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.721 4.135 9.998 1.00 0.00 H new ATOM 0 HG SER A 29 5.216 5.402 9.378 1.00 0.00 H new ATOM 323 N VAL A 30 8.026 2.670 6.520 1.00 0.00 N ATOM 324 CA VAL A 30 7.931 1.463 5.705 1.00 0.00 C ATOM 325 C VAL A 30 8.644 0.278 6.347 1.00 0.00 C ATOM 326 O VAL A 30 9.651 0.438 7.035 1.00 0.00 O ATOM 327 CB VAL A 30 8.517 1.689 4.298 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.515 2.411 3.412 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.824 2.466 4.379 1.00 0.00 C ATOM 0 H VAL A 30 8.960 3.078 6.566 1.00 0.00 H new ATOM 0 HA VAL A 30 6.868 1.234 5.628 1.00 0.00 H new ATOM 0 HB VAL A 30 8.727 0.716 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.947 2.562 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.608 1.812 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.270 3.378 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.221 2.615 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.643 3.435 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.544 1.905 4.975 1.00 0.00 H new ATOM 339 N LYS A 31 8.113 -0.917 6.097 1.00 0.00 N ATOM 340 CA LYS A 31 8.693 -2.145 6.629 1.00 0.00 C ATOM 341 C LYS A 31 8.470 -3.301 5.656 1.00 0.00 C ATOM 342 O LYS A 31 7.354 -3.524 5.187 1.00 0.00 O ATOM 343 CB LYS A 31 8.092 -2.477 7.998 1.00 0.00 C ATOM 344 CG LYS A 31 6.590 -2.721 7.970 1.00 0.00 C ATOM 345 CD LYS A 31 6.211 -3.962 8.764 1.00 0.00 C ATOM 346 CE LYS A 31 5.152 -4.783 8.046 1.00 0.00 C ATOM 347 NZ LYS A 31 4.689 -5.936 8.867 1.00 0.00 N ATOM 0 H LYS A 31 7.279 -1.060 5.527 1.00 0.00 H new ATOM 0 HA LYS A 31 9.765 -1.994 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.587 -3.363 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.304 -1.658 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.072 -1.854 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.258 -2.833 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.098 -4.574 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.840 -3.668 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.302 -4.146 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.555 -5.149 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.993 -6.489 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.501 -6.540 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.250 -5.585 9.742 1.00 0.00 H new ATOM 361 N GLY A 32 9.541 -4.021 5.341 1.00 0.00 N ATOM 362 CA GLY A 32 9.438 -5.131 4.411 1.00 0.00 C ATOM 363 C GLY A 32 9.141 -6.455 5.084 1.00 0.00 C ATOM 364 O GLY A 32 9.304 -6.599 6.296 1.00 0.00 O ATOM 0 H GLY A 32 10.477 -3.857 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.653 -4.916 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.371 -5.216 3.854 1.00 0.00 H new ATOM 368 N ASN A 33 8.706 -7.425 4.286 1.00 0.00 N ATOM 369 CA ASN A 33 8.385 -8.754 4.792 1.00 0.00 C ATOM 370 C ASN A 33 9.181 -9.820 4.046 1.00 0.00 C ATOM 371 O ASN A 33 9.953 -9.511 3.140 1.00 0.00 O ATOM 372 CB ASN A 33 6.886 -9.029 4.649 1.00 0.00 C ATOM 373 CG ASN A 33 6.111 -8.673 5.901 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.442 -9.521 6.493 1.00 0.00 O ATOM 375 ND2 ASN A 33 6.194 -7.413 6.311 1.00 0.00 N ATOM 0 H ASN A 33 8.567 -7.314 3.282 1.00 0.00 H new ATOM 0 HA ASN A 33 8.654 -8.792 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.493 -8.458 3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.733 -10.083 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.692 -7.115 7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.760 -6.743 5.790 1.00 0.00 H new ATOM 382 N ARG A 34 8.985 -11.076 4.433 1.00 0.00 N ATOM 383 CA ARG A 34 9.681 -12.187 3.798 1.00 0.00 C ATOM 384 C ARG A 34 8.722 -13.336 3.512 1.00 0.00 C ATOM 385 O ARG A 34 7.753 -13.544 4.240 1.00 0.00 O ATOM 386 CB ARG A 34 10.828 -12.674 4.686 1.00 0.00 C ATOM 387 CG ARG A 34 12.011 -13.221 3.905 1.00 0.00 C ATOM 388 CD ARG A 34 13.301 -13.121 4.704 1.00 0.00 C ATOM 389 NE ARG A 34 13.858 -11.771 4.682 1.00 0.00 N ATOM 390 CZ ARG A 34 14.757 -11.324 5.555 1.00 0.00 C ATOM 391 NH1 ARG A 34 15.205 -12.116 6.523 1.00 0.00 N ATOM 392 NH2 ARG A 34 15.211 -10.082 5.462 1.00 0.00 N ATOM 0 H ARG A 34 8.350 -11.349 5.183 1.00 0.00 H new ATOM 0 HA ARG A 34 10.090 -11.833 2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.167 -11.849 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.455 -13.450 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.825 -14.262 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.117 -12.670 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.112 -13.418 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.032 -13.821 4.300 1.00 0.00 H new ATOM 0 HE ARG A 34 13.539 -11.132 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.860 -13.073 6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.894 -11.767 7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.871 -9.469 4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.900 -9.739 6.131 1.00 0.00 H new ATOM 406 N SER A 35 8.996 -14.076 2.443 1.00 0.00 N ATOM 407 CA SER A 35 8.156 -15.203 2.058 1.00 0.00 C ATOM 408 C SER A 35 8.022 -16.200 3.206 1.00 0.00 C ATOM 409 O SER A 35 9.018 -16.629 3.790 1.00 0.00 O ATOM 410 CB SER A 35 8.734 -15.900 0.824 1.00 0.00 C ATOM 411 OG SER A 35 7.735 -16.113 -0.158 1.00 0.00 O ATOM 0 H SER A 35 9.794 -13.915 1.828 1.00 0.00 H new ATOM 0 HA SER A 35 7.165 -14.819 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.538 -15.295 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.172 -16.855 1.114 1.00 0.00 H new ATOM 0 HG SER A 35 8.131 -16.558 -0.936 1.00 0.00 H new ATOM 417 N LYS A 36 6.783 -16.562 3.528 1.00 0.00 N ATOM 418 CA LYS A 36 6.519 -17.505 4.608 1.00 0.00 C ATOM 419 C LYS A 36 7.158 -18.861 4.323 1.00 0.00 C ATOM 420 O LYS A 36 7.518 -19.594 5.245 1.00 0.00 O ATOM 421 CB LYS A 36 5.011 -17.673 4.809 1.00 0.00 C ATOM 422 CG LYS A 36 4.251 -17.946 3.520 1.00 0.00 C ATOM 423 CD LYS A 36 3.431 -16.740 3.088 1.00 0.00 C ATOM 424 CE LYS A 36 2.821 -16.946 1.711 1.00 0.00 C ATOM 425 NZ LYS A 36 1.560 -16.175 1.542 1.00 0.00 N ATOM 0 H LYS A 36 5.947 -16.216 3.056 1.00 0.00 H new ATOM 0 HA LYS A 36 6.960 -17.102 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.835 -18.493 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.612 -16.770 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.955 -18.210 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.593 -18.803 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.639 -16.558 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.064 -15.853 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.537 -16.642 0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.622 -18.007 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.614 -15.608 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.757 -16.833 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.426 -15.545 2.359 1.00 0.00 H new ATOM 439 N GLU A 37 7.298 -19.190 3.042 1.00 0.00 N ATOM 440 CA GLU A 37 7.894 -20.460 2.642 1.00 0.00 C ATOM 441 C GLU A 37 9.416 -20.393 2.715 1.00 0.00 C ATOM 442 O GLU A 37 10.042 -21.118 3.487 1.00 0.00 O ATOM 443 CB GLU A 37 7.455 -20.827 1.223 1.00 0.00 C ATOM 444 CG GLU A 37 5.964 -21.096 1.098 1.00 0.00 C ATOM 445 CD GLU A 37 5.468 -20.980 -0.330 1.00 0.00 C ATOM 446 OE1 GLU A 37 5.954 -21.743 -1.191 1.00 0.00 O ATOM 447 OE2 GLU A 37 4.593 -20.125 -0.586 1.00 0.00 O ATOM 0 H GLU A 37 7.008 -18.596 2.265 1.00 0.00 H new ATOM 0 HA GLU A 37 7.549 -21.230 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.728 -20.017 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.004 -21.711 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.746 -22.096 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.418 -20.393 1.727 1.00 0.00 H new ATOM 454 N ASN A 38 10.003 -19.518 1.906 1.00 0.00 N ATOM 455 CA ASN A 38 11.453 -19.356 1.878 1.00 0.00 C ATOM 456 C ASN A 38 11.850 -17.950 2.314 1.00 0.00 C ATOM 457 O ASN A 38 11.018 -17.046 2.359 1.00 0.00 O ATOM 458 CB ASN A 38 11.992 -19.638 0.474 1.00 0.00 C ATOM 459 CG ASN A 38 11.256 -18.854 -0.595 1.00 0.00 C ATOM 460 OD1 ASN A 38 11.400 -17.636 -0.698 1.00 0.00 O ATOM 461 ND2 ASN A 38 10.463 -19.552 -1.400 1.00 0.00 N ATOM 0 H ASN A 38 9.498 -18.910 1.261 1.00 0.00 H new ATOM 0 HA ASN A 38 11.888 -20.071 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.053 -19.389 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.907 -20.704 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.944 -19.079 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.373 -20.561 -1.279 1.00 0.00 H new ATOM 468 N HIS A 39 13.128 -17.773 2.633 1.00 0.00 N ATOM 469 CA HIS A 39 13.637 -16.476 3.063 1.00 0.00 C ATOM 470 C HIS A 39 13.773 -15.524 1.879 1.00 0.00 C ATOM 471 O HIS A 39 14.874 -15.090 1.540 1.00 0.00 O ATOM 472 CB HIS A 39 14.988 -16.641 3.763 1.00 0.00 C ATOM 473 CG HIS A 39 14.924 -17.480 5.000 1.00 0.00 C ATOM 474 ND1 HIS A 39 14.293 -17.071 6.156 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.417 -18.714 5.260 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.401 -18.015 7.072 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.077 -19.023 6.555 1.00 0.00 N ATOM 0 H HIS A 39 13.830 -18.512 2.602 1.00 0.00 H new ATOM 0 HA HIS A 39 12.923 -16.048 3.767 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.696 -17.090 3.066 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.376 -15.656 4.022 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.817 -16.178 6.283 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.974 -19.339 4.577 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.003 -17.970 8.075 1.00 0.00 H new ATOM 486 N ALA A 40 12.647 -15.205 1.250 1.00 0.00 N ATOM 487 CA ALA A 40 12.640 -14.303 0.104 1.00 0.00 C ATOM 488 C ALA A 40 11.790 -13.070 0.383 1.00 0.00 C ATOM 489 O ALA A 40 10.584 -13.173 0.607 1.00 0.00 O ATOM 490 CB ALA A 40 12.133 -15.029 -1.133 1.00 0.00 C ATOM 0 H ALA A 40 11.727 -15.558 1.514 1.00 0.00 H new ATOM 0 HA ALA A 40 13.663 -13.973 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.132 -14.345 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.784 -15.876 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.119 -15.387 -0.955 1.00 0.00 H new ATOM 496 N ASP A 41 12.427 -11.903 0.368 1.00 0.00 N ATOM 497 CA ASP A 41 11.730 -10.645 0.620 1.00 0.00 C ATOM 498 C ASP A 41 10.490 -10.516 -0.260 1.00 0.00 C ATOM 499 O ASP A 41 10.494 -10.925 -1.421 1.00 0.00 O ATOM 500 CB ASP A 41 12.668 -9.464 0.368 1.00 0.00 C ATOM 501 CG ASP A 41 13.128 -9.391 -1.075 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.163 -10.008 -1.400 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.452 -8.718 -1.881 1.00 0.00 O ATOM 0 H ASP A 41 13.425 -11.802 0.184 1.00 0.00 H new ATOM 0 HA ASP A 41 11.413 -10.640 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.160 -8.537 0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.537 -9.548 1.020 1.00 0.00 H new ATOM 508 N LEU A 42 9.432 -9.943 0.302 1.00 0.00 N ATOM 509 CA LEU A 42 8.185 -9.754 -0.430 1.00 0.00 C ATOM 510 C LEU A 42 7.963 -8.283 -0.780 1.00 0.00 C ATOM 511 O LEU A 42 6.979 -7.936 -1.433 1.00 0.00 O ATOM 512 CB LEU A 42 7.004 -10.277 0.391 1.00 0.00 C ATOM 513 CG LEU A 42 7.209 -11.656 1.025 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.969 -12.074 1.801 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.547 -12.691 -0.039 1.00 0.00 C ATOM 0 H LEU A 42 9.413 -9.601 1.263 1.00 0.00 H new ATOM 0 HA LEU A 42 8.256 -10.318 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.787 -9.560 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.125 -10.318 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 42 8.047 -11.594 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.132 -13.056 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.771 -11.348 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.115 -12.118 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.689 -13.664 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.731 -12.752 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.463 -12.399 -0.552 1.00 0.00 H new ATOM 527 N GLY A 43 8.878 -7.421 -0.344 1.00 0.00 N ATOM 528 CA GLY A 43 8.755 -6.001 -0.623 1.00 0.00 C ATOM 529 C GLY A 43 8.456 -5.193 0.624 1.00 0.00 C ATOM 530 O GLY A 43 8.345 -5.749 1.718 1.00 0.00 O ATOM 0 H GLY A 43 9.702 -7.681 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.680 -5.640 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.962 -5.844 -1.354 1.00 0.00 H new ATOM 534 N ILE A 44 8.327 -3.878 0.467 1.00 0.00 N ATOM 535 CA ILE A 44 8.043 -2.999 1.595 1.00 0.00 C ATOM 536 C ILE A 44 6.622 -2.446 1.529 1.00 0.00 C ATOM 537 O ILE A 44 6.133 -2.082 0.460 1.00 0.00 O ATOM 538 CB ILE A 44 9.038 -1.822 1.672 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.336 -1.278 0.270 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.322 -2.257 2.369 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.475 -1.989 -0.432 1.00 0.00 C ATOM 0 H ILE A 44 8.415 -3.399 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 44 8.150 -3.609 2.492 1.00 0.00 H new ATOM 0 HB ILE A 44 8.586 -1.022 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.437 -1.361 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.574 -0.217 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.014 -1.416 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.091 -2.593 3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.780 -3.073 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.626 -1.549 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.387 -1.884 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.232 -3.046 -0.540 1.00 0.00 H new ATOM 553 N PHE A 45 5.969 -2.387 2.686 1.00 0.00 N ATOM 554 CA PHE A 45 4.603 -1.880 2.779 1.00 0.00 C ATOM 555 C PHE A 45 4.540 -0.679 3.713 1.00 0.00 C ATOM 556 O PHE A 45 5.259 -0.619 4.712 1.00 0.00 O ATOM 557 CB PHE A 45 3.649 -2.972 3.278 1.00 0.00 C ATOM 558 CG PHE A 45 4.122 -4.372 2.995 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.622 -4.711 1.748 1.00 0.00 C ATOM 560 CD2 PHE A 45 4.067 -5.346 3.979 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.059 -5.997 1.488 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.503 -6.633 3.724 1.00 0.00 C ATOM 563 CZ PHE A 45 4.999 -6.958 2.477 1.00 0.00 C ATOM 0 H PHE A 45 6.366 -2.686 3.577 1.00 0.00 H new ATOM 0 HA PHE A 45 4.293 -1.571 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.511 -2.856 4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.673 -2.828 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.671 -3.963 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.679 -5.097 4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.447 -6.249 0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.456 -7.383 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.340 -7.963 2.276 1.00 0.00 H new ATOM 573 N VAL A 46 3.676 0.272 3.381 1.00 0.00 N ATOM 574 CA VAL A 46 3.516 1.470 4.194 1.00 0.00 C ATOM 575 C VAL A 46 3.007 1.112 5.586 1.00 0.00 C ATOM 576 O VAL A 46 1.832 0.798 5.766 1.00 0.00 O ATOM 577 CB VAL A 46 2.549 2.472 3.532 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.500 3.773 4.319 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.957 2.733 2.089 1.00 0.00 C ATOM 0 H VAL A 46 3.077 0.237 2.556 1.00 0.00 H new ATOM 0 HA VAL A 46 4.496 1.939 4.280 1.00 0.00 H new ATOM 0 HB VAL A 46 1.550 2.036 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.812 4.466 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.157 3.572 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.496 4.215 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.263 3.442 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.965 3.146 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.935 1.798 1.530 1.00 0.00 H new ATOM 589 N LYS A 47 3.902 1.156 6.566 1.00 0.00 N ATOM 590 CA LYS A 47 3.548 0.833 7.943 1.00 0.00 C ATOM 591 C LYS A 47 2.648 1.907 8.536 1.00 0.00 C ATOM 592 O LYS A 47 1.640 1.608 9.176 1.00 0.00 O ATOM 593 CB LYS A 47 4.807 0.683 8.800 1.00 0.00 C ATOM 594 CG LYS A 47 4.533 0.147 10.194 1.00 0.00 C ATOM 595 CD LYS A 47 4.419 -1.369 10.198 1.00 0.00 C ATOM 596 CE LYS A 47 3.566 -1.860 11.355 1.00 0.00 C ATOM 597 NZ LYS A 47 2.890 -3.149 11.041 1.00 0.00 N ATOM 0 H LYS A 47 4.880 1.413 6.432 1.00 0.00 H new ATOM 0 HA LYS A 47 3.007 -0.113 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.504 0.015 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.298 1.653 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.334 0.454 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.610 0.583 10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.985 -1.705 9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.414 -1.810 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.191 -1.984 12.239 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.816 -1.107 11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.318 -3.449 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.273 -3.025 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.606 -3.875 10.834 1.00 0.00 H new ATOM 611 N SER A 48 3.018 3.162 8.315 1.00 0.00 N ATOM 612 CA SER A 48 2.244 4.286 8.826 1.00 0.00 C ATOM 613 C SER A 48 2.701 5.596 8.195 1.00 0.00 C ATOM 614 O SER A 48 3.888 5.919 8.202 1.00 0.00 O ATOM 615 CB SER A 48 2.366 4.368 10.348 1.00 0.00 C ATOM 616 OG SER A 48 1.165 4.842 10.932 1.00 0.00 O ATOM 0 H SER A 48 3.849 3.427 7.786 1.00 0.00 H new ATOM 0 HA SER A 48 1.199 4.123 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.606 3.384 10.750 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.190 5.030 10.615 1.00 0.00 H new ATOM 0 HG SER A 48 1.269 4.883 11.906 1.00 0.00 H new ATOM 622 N ILE A 49 1.749 6.347 7.651 1.00 0.00 N ATOM 623 CA ILE A 49 2.055 7.623 7.016 1.00 0.00 C ATOM 624 C ILE A 49 1.979 8.765 8.019 1.00 0.00 C ATOM 625 O ILE A 49 0.943 8.995 8.643 1.00 0.00 O ATOM 626 CB ILE A 49 1.093 7.919 5.848 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.121 6.775 4.840 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.451 9.233 5.168 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.145 6.960 3.698 1.00 0.00 C ATOM 0 H ILE A 49 0.761 6.094 7.637 1.00 0.00 H new ATOM 0 HA ILE A 49 3.071 7.546 6.628 1.00 0.00 H new ATOM 0 HB ILE A 49 0.084 8.010 6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.129 6.681 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.895 5.841 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.758 9.419 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.385 10.046 5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.467 9.176 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.216 6.111 3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.869 7.025 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.384 7.877 3.160 1.00 0.00 H new ATOM 641 N ILE A 50 3.081 9.487 8.155 1.00 0.00 N ATOM 642 CA ILE A 50 3.146 10.619 9.067 1.00 0.00 C ATOM 643 C ILE A 50 2.131 11.683 8.661 1.00 0.00 C ATOM 644 O ILE A 50 2.290 12.341 7.633 1.00 0.00 O ATOM 645 CB ILE A 50 4.563 11.239 9.094 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.526 10.332 9.860 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.542 12.631 9.721 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.558 9.655 8.986 1.00 0.00 C ATOM 0 H ILE A 50 3.945 9.308 7.644 1.00 0.00 H new ATOM 0 HA ILE A 50 2.911 10.253 10.067 1.00 0.00 H new ATOM 0 HB ILE A 50 4.908 11.334 8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.039 10.922 10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.951 9.568 10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.551 13.043 9.727 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.888 13.282 9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.172 12.564 10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.203 9.029 9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.056 9.036 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.160 10.411 8.482 1.00 0.00 H new ATOM 660 N ASN A 51 1.090 11.846 9.471 1.00 0.00 N ATOM 661 CA ASN A 51 0.055 12.832 9.189 1.00 0.00 C ATOM 662 C ASN A 51 0.626 14.244 9.259 1.00 0.00 C ATOM 663 O ASN A 51 0.407 14.970 10.230 1.00 0.00 O ATOM 664 CB ASN A 51 -1.108 12.686 10.173 1.00 0.00 C ATOM 665 CG ASN A 51 -0.648 12.714 11.616 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.585 13.774 12.239 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.323 11.545 12.153 1.00 0.00 N ATOM 0 H ASN A 51 0.942 11.309 10.326 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.317 12.656 8.180 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.825 13.490 10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.630 11.749 9.979 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.005 11.499 13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.391 10.692 11.598 1.00 0.00 H new ATOM 674 N GLY A 52 1.366 14.617 8.225 1.00 0.00 N ATOM 675 CA GLY A 52 1.974 15.931 8.171 1.00 0.00 C ATOM 676 C GLY A 52 3.118 15.981 7.181 1.00 0.00 C ATOM 677 O GLY A 52 3.410 17.032 6.611 1.00 0.00 O ATOM 0 H GLY A 52 1.557 14.027 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.221 16.669 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.338 16.204 9.161 1.00 0.00 H new ATOM 681 N GLY A 53 3.768 14.838 6.972 1.00 0.00 N ATOM 682 CA GLY A 53 4.876 14.778 6.043 1.00 0.00 C ATOM 683 C GLY A 53 4.430 14.811 4.593 1.00 0.00 C ATOM 684 O GLY A 53 3.248 14.654 4.292 1.00 0.00 O ATOM 0 H GLY A 53 3.545 13.955 7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.548 15.616 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.446 13.866 6.222 1.00 0.00 H new ATOM 688 N ALA A 54 5.390 15.018 3.701 1.00 0.00 N ATOM 689 CA ALA A 54 5.140 15.087 2.262 1.00 0.00 C ATOM 690 C ALA A 54 4.133 14.042 1.786 1.00 0.00 C ATOM 691 O ALA A 54 3.240 14.344 0.994 1.00 0.00 O ATOM 692 CB ALA A 54 6.447 14.911 1.512 1.00 0.00 C ATOM 0 H ALA A 54 6.370 15.144 3.954 1.00 0.00 H new ATOM 0 HA ALA A 54 4.709 16.067 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.261 14.962 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.140 15.702 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.881 13.942 1.759 1.00 0.00 H new ATOM 698 N ALA A 55 4.302 12.815 2.250 1.00 0.00 N ATOM 699 CA ALA A 55 3.428 11.718 1.848 1.00 0.00 C ATOM 700 C ALA A 55 1.980 11.961 2.249 1.00 0.00 C ATOM 701 O ALA A 55 1.061 11.693 1.475 1.00 0.00 O ATOM 702 CB ALA A 55 3.923 10.412 2.440 1.00 0.00 C ATOM 0 H ALA A 55 5.036 12.550 2.906 1.00 0.00 H new ATOM 0 HA ALA A 55 3.458 11.659 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.263 9.600 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.934 10.212 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.928 10.484 3.528 1.00 0.00 H new ATOM 708 N SER A 56 1.777 12.461 3.458 1.00 0.00 N ATOM 709 CA SER A 56 0.432 12.728 3.949 1.00 0.00 C ATOM 710 C SER A 56 -0.147 13.971 3.279 1.00 0.00 C ATOM 711 O SER A 56 -1.364 14.132 3.184 1.00 0.00 O ATOM 712 CB SER A 56 0.449 12.911 5.465 1.00 0.00 C ATOM 713 OG SER A 56 0.075 11.717 6.130 1.00 0.00 O ATOM 0 H SER A 56 2.522 12.690 4.116 1.00 0.00 H new ATOM 0 HA SER A 56 -0.199 11.874 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.446 13.212 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.232 13.715 5.745 1.00 0.00 H new ATOM 0 HG SER A 56 -0.876 11.756 6.363 1.00 0.00 H new ATOM 719 N LYS A 57 0.740 14.846 2.819 1.00 0.00 N ATOM 720 CA LYS A 57 0.338 16.080 2.158 1.00 0.00 C ATOM 721 C LYS A 57 -0.098 15.808 0.723 1.00 0.00 C ATOM 722 O LYS A 57 -1.006 16.459 0.206 1.00 0.00 O ATOM 723 CB LYS A 57 1.492 17.081 2.173 1.00 0.00 C ATOM 724 CG LYS A 57 2.323 17.022 3.445 1.00 0.00 C ATOM 725 CD LYS A 57 2.480 18.390 4.078 1.00 0.00 C ATOM 726 CE LYS A 57 1.197 18.841 4.756 1.00 0.00 C ATOM 727 NZ LYS A 57 1.057 20.324 4.750 1.00 0.00 N ATOM 0 H LYS A 57 1.750 14.721 2.893 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.509 16.501 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.138 16.892 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.092 18.088 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.851 16.344 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.307 16.611 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.289 18.363 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.764 19.115 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.342 18.394 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.183 18.479 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.169 20.591 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.859 20.751 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.044 20.668 3.768 1.00 0.00 H new ATOM 741 N ASP A 58 0.552 14.838 0.088 1.00 0.00 N ATOM 742 CA ASP A 58 0.232 14.475 -1.287 1.00 0.00 C ATOM 743 C ASP A 58 -1.217 14.013 -1.400 1.00 0.00 C ATOM 744 O ASP A 58 -1.876 14.245 -2.413 1.00 0.00 O ATOM 745 CB ASP A 58 1.172 13.373 -1.777 1.00 0.00 C ATOM 746 CG ASP A 58 1.540 13.533 -3.239 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.733 14.688 -3.677 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.635 12.507 -3.943 1.00 0.00 O ATOM 0 H ASP A 58 1.304 14.289 0.505 1.00 0.00 H new ATOM 0 HA ASP A 58 0.364 15.358 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.080 13.380 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.698 12.403 -1.629 1.00 0.00 H new ATOM 753 N GLY A 59 -1.706 13.361 -0.349 1.00 0.00 N ATOM 754 CA GLY A 59 -3.075 12.879 -0.347 1.00 0.00 C ATOM 755 C GLY A 59 -3.278 11.681 -1.255 1.00 0.00 C ATOM 756 O GLY A 59 -4.399 11.402 -1.680 1.00 0.00 O ATOM 0 H GLY A 59 -1.179 13.158 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.359 12.610 0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.739 13.684 -0.661 1.00 0.00 H new ATOM 760 N ARG A 60 -2.194 10.967 -1.551 1.00 0.00 N ATOM 761 CA ARG A 60 -2.270 9.793 -2.413 1.00 0.00 C ATOM 762 C ARG A 60 -1.678 8.567 -1.724 1.00 0.00 C ATOM 763 O ARG A 60 -1.961 7.432 -2.106 1.00 0.00 O ATOM 764 CB ARG A 60 -1.540 10.056 -3.731 1.00 0.00 C ATOM 765 CG ARG A 60 -2.312 10.949 -4.686 1.00 0.00 C ATOM 766 CD ARG A 60 -1.380 11.700 -5.622 1.00 0.00 C ATOM 767 NE ARG A 60 -0.992 13.000 -5.082 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.558 14.015 -5.827 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.440 13.881 -7.142 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.234 15.167 -5.255 1.00 0.00 N ATOM 0 H ARG A 60 -1.258 11.181 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.321 9.594 -2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.575 10.516 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.338 9.104 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.006 10.345 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.910 11.661 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.487 11.101 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.870 11.839 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.057 13.139 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.682 12.996 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.107 14.663 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.317 15.276 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.098 15.944 -5.826 1.00 0.00 H new ATOM 784 N LEU A 61 -0.851 8.803 -0.709 1.00 0.00 N ATOM 785 CA LEU A 61 -0.218 7.718 0.026 1.00 0.00 C ATOM 786 C LEU A 61 -1.191 7.070 1.003 1.00 0.00 C ATOM 787 O LEU A 61 -1.966 7.754 1.674 1.00 0.00 O ATOM 788 CB LEU A 61 1.013 8.234 0.771 1.00 0.00 C ATOM 789 CG LEU A 61 2.315 8.141 -0.022 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.743 9.514 -0.517 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.416 7.500 0.814 1.00 0.00 C ATOM 0 H LEU A 61 -0.605 9.736 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 61 0.091 6.960 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.845 9.274 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.125 7.670 1.697 1.00 0.00 H new ATOM 0 HG LEU A 61 2.138 7.506 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.673 9.425 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.967 9.926 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.897 10.176 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.333 7.445 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.592 8.101 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.112 6.495 1.107 1.00 0.00 H new ATOM 803 N ARG A 62 -1.139 5.746 1.078 1.00 0.00 N ATOM 804 CA ARG A 62 -2.009 4.991 1.971 1.00 0.00 C ATOM 805 C ARG A 62 -1.222 3.894 2.678 1.00 0.00 C ATOM 806 O ARG A 62 -0.369 3.242 2.075 1.00 0.00 O ATOM 807 CB ARG A 62 -3.171 4.376 1.188 1.00 0.00 C ATOM 808 CG ARG A 62 -4.423 5.241 1.171 1.00 0.00 C ATOM 809 CD ARG A 62 -4.352 6.323 0.102 1.00 0.00 C ATOM 810 NE ARG A 62 -3.773 5.831 -1.149 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.382 4.973 -1.962 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.591 4.510 -1.665 1.00 0.00 N ATOM 813 NH2 ARG A 62 -3.782 4.578 -3.077 1.00 0.00 N ATOM 0 H ARG A 62 -0.501 5.171 0.529 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.410 5.675 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.851 4.196 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.416 3.406 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.296 4.613 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.557 5.705 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.354 6.707 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.756 7.158 0.472 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.847 6.166 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.057 4.812 -0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.053 3.852 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.854 4.932 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.248 3.920 -3.701 1.00 0.00 H new ATOM 827 N VAL A 63 -1.508 3.695 3.959 1.00 0.00 N ATOM 828 CA VAL A 63 -0.821 2.677 4.742 1.00 0.00 C ATOM 829 C VAL A 63 -1.188 1.275 4.262 1.00 0.00 C ATOM 830 O VAL A 63 -2.325 1.030 3.862 1.00 0.00 O ATOM 831 CB VAL A 63 -1.145 2.807 6.241 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.336 1.808 7.053 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.876 4.227 6.717 1.00 0.00 C ATOM 0 H VAL A 63 -2.210 4.224 4.476 1.00 0.00 H new ATOM 0 HA VAL A 63 0.248 2.833 4.601 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.202 2.586 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.580 1.916 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.575 0.796 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.728 1.995 6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.109 4.305 7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.174 4.471 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.500 4.923 6.156 1.00 0.00 H new ATOM 843 N ASN A 64 -0.209 0.368 4.301 1.00 0.00 N ATOM 844 CA ASN A 64 -0.398 -1.019 3.869 1.00 0.00 C ATOM 845 C ASN A 64 -0.242 -1.150 2.356 1.00 0.00 C ATOM 846 O ASN A 64 -0.495 -2.213 1.790 1.00 0.00 O ATOM 847 CB ASN A 64 -1.759 -1.567 4.310 1.00 0.00 C ATOM 848 CG ASN A 64 -1.965 -1.465 5.809 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.496 -2.311 6.571 1.00 0.00 O ATOM 850 ND2 ASN A 64 -2.671 -0.426 6.242 1.00 0.00 N ATOM 0 H ASN A 64 0.734 0.573 4.632 1.00 0.00 H new ATOM 0 HA ASN A 64 0.378 -1.613 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.551 -1.019 3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.844 -2.610 4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.842 -0.306 7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.042 0.252 5.576 1.00 0.00 H new ATOM 857 N ASP A 65 0.193 -0.072 1.707 1.00 0.00 N ATOM 858 CA ASP A 65 0.398 -0.082 0.267 1.00 0.00 C ATOM 859 C ASP A 65 1.780 -0.635 -0.060 1.00 0.00 C ATOM 860 O ASP A 65 2.788 -0.159 0.461 1.00 0.00 O ATOM 861 CB ASP A 65 0.243 1.325 -0.308 1.00 0.00 C ATOM 862 CG ASP A 65 -0.316 1.315 -1.717 1.00 0.00 C ATOM 863 OD1 ASP A 65 -0.146 0.292 -2.416 1.00 0.00 O ATOM 864 OD2 ASP A 65 -0.924 2.327 -2.122 1.00 0.00 O ATOM 0 H ASP A 65 0.409 0.817 2.158 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.357 -0.724 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.415 1.908 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.212 1.823 -0.308 1.00 0.00 H new ATOM 869 N GLN A 66 1.821 -1.649 -0.915 1.00 0.00 N ATOM 870 CA GLN A 66 3.078 -2.272 -1.300 1.00 0.00 C ATOM 871 C GLN A 66 3.810 -1.419 -2.329 1.00 0.00 C ATOM 872 O GLN A 66 3.223 -0.983 -3.317 1.00 0.00 O ATOM 873 CB GLN A 66 2.811 -3.675 -1.853 1.00 0.00 C ATOM 874 CG GLN A 66 3.975 -4.275 -2.631 1.00 0.00 C ATOM 875 CD GLN A 66 4.423 -5.611 -2.076 1.00 0.00 C ATOM 876 OE1 GLN A 66 3.630 -6.545 -1.956 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.700 -5.706 -1.734 1.00 0.00 N ATOM 0 H GLN A 66 0.996 -2.057 -1.355 1.00 0.00 H new ATOM 0 HA GLN A 66 3.715 -2.354 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.563 -4.338 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.937 -3.636 -2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.684 -4.399 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.814 -3.580 -2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.320 -4.905 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.062 -6.580 -1.353 1.00 0.00 H new ATOM 886 N LEU A 67 5.098 -1.192 -2.092 1.00 0.00 N ATOM 887 CA LEU A 67 5.910 -0.394 -3.002 1.00 0.00 C ATOM 888 C LEU A 67 6.498 -1.265 -4.106 1.00 0.00 C ATOM 889 O LEU A 67 6.897 -2.404 -3.865 1.00 0.00 O ATOM 890 CB LEU A 67 7.031 0.310 -2.238 1.00 0.00 C ATOM 891 CG LEU A 67 6.571 1.139 -1.039 1.00 0.00 C ATOM 892 CD1 LEU A 67 7.728 1.374 -0.080 1.00 0.00 C ATOM 893 CD2 LEU A 67 5.978 2.463 -1.502 1.00 0.00 C ATOM 0 H LEU A 67 5.600 -1.549 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 67 5.267 0.359 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.741 -0.440 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.567 0.962 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 67 5.796 0.584 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.383 1.966 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.106 0.416 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.525 1.909 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.656 3.040 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.731 3.026 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.122 2.272 -2.149 1.00 0.00 H new ATOM 905 N ILE A 68 6.543 -0.722 -5.316 1.00 0.00 N ATOM 906 CA ILE A 68 7.078 -1.452 -6.459 1.00 0.00 C ATOM 907 C ILE A 68 8.193 -0.673 -7.147 1.00 0.00 C ATOM 908 O ILE A 68 9.169 -1.260 -7.615 1.00 0.00 O ATOM 909 CB ILE A 68 5.977 -1.764 -7.490 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.748 -2.351 -6.796 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.501 -2.721 -8.550 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.513 -2.374 -7.671 1.00 0.00 C ATOM 0 H ILE A 68 6.216 0.220 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 68 7.482 -2.386 -6.070 1.00 0.00 H new ATOM 0 HB ILE A 68 5.684 -0.835 -7.979 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.974 -3.367 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.536 -1.771 -5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.712 -2.932 -9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.349 -2.267 -9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.818 -3.650 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.680 -2.803 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.262 -1.357 -7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.706 -2.978 -8.557 1.00 0.00 H new ATOM 924 N ALA A 69 8.049 0.647 -7.209 1.00 0.00 N ATOM 925 CA ALA A 69 9.054 1.487 -7.849 1.00 0.00 C ATOM 926 C ALA A 69 9.058 2.897 -7.273 1.00 0.00 C ATOM 927 O ALA A 69 8.013 3.437 -6.908 1.00 0.00 O ATOM 928 CB ALA A 69 8.823 1.532 -9.352 1.00 0.00 C ATOM 0 H ALA A 69 7.252 1.155 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 69 10.031 1.046 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.580 2.163 -9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.889 0.524 -9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.834 1.942 -9.556 1.00 0.00 H new ATOM 934 N VAL A 70 10.244 3.488 -7.204 1.00 0.00 N ATOM 935 CA VAL A 70 10.402 4.840 -6.684 1.00 0.00 C ATOM 936 C VAL A 70 11.294 5.667 -7.603 1.00 0.00 C ATOM 937 O VAL A 70 12.377 5.226 -7.986 1.00 0.00 O ATOM 938 CB VAL A 70 11.001 4.836 -5.262 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.408 4.256 -5.271 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.001 6.240 -4.677 1.00 0.00 C ATOM 0 H VAL A 70 11.115 3.049 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 70 9.408 5.286 -6.640 1.00 0.00 H new ATOM 0 HB VAL A 70 10.377 4.203 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.811 4.263 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.377 3.232 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.045 4.858 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.427 6.216 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.598 6.898 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.978 6.614 -4.628 1.00 0.00 H new ATOM 950 N ASN A 71 10.831 6.860 -7.963 1.00 0.00 N ATOM 951 CA ASN A 71 11.593 7.736 -8.849 1.00 0.00 C ATOM 952 C ASN A 71 11.772 7.091 -10.223 1.00 0.00 C ATOM 953 O ASN A 71 12.654 7.479 -10.988 1.00 0.00 O ATOM 954 CB ASN A 71 12.968 8.043 -8.246 1.00 0.00 C ATOM 955 CG ASN A 71 12.970 9.306 -7.410 1.00 0.00 C ATOM 956 OD1 ASN A 71 13.156 10.408 -7.929 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.763 9.152 -6.110 1.00 0.00 N ATOM 0 H ASN A 71 9.936 7.242 -7.657 1.00 0.00 H new ATOM 0 HA ASN A 71 11.036 8.666 -8.963 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.285 7.203 -7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.698 8.142 -9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.753 9.966 -5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.613 8.220 -5.724 1.00 0.00 H new ATOM 964 N GLY A 72 10.940 6.099 -10.520 1.00 0.00 N ATOM 965 CA GLY A 72 11.037 5.408 -11.791 1.00 0.00 C ATOM 966 C GLY A 72 12.036 4.270 -11.736 1.00 0.00 C ATOM 967 O GLY A 72 12.604 3.880 -12.757 1.00 0.00 O ATOM 0 H GLY A 72 10.201 5.762 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.058 5.019 -12.069 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.332 6.114 -12.567 1.00 0.00 H new ATOM 971 N GLU A 73 12.255 3.745 -10.535 1.00 0.00 N ATOM 972 CA GLU A 73 13.198 2.651 -10.332 1.00 0.00 C ATOM 973 C GLU A 73 12.577 1.560 -9.467 1.00 0.00 C ATOM 974 O GLU A 73 12.454 1.711 -8.252 1.00 0.00 O ATOM 975 CB GLU A 73 14.487 3.166 -9.678 1.00 0.00 C ATOM 976 CG GLU A 73 14.697 4.668 -9.819 1.00 0.00 C ATOM 977 CD GLU A 73 16.159 5.041 -9.967 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.843 5.183 -8.930 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.621 5.191 -11.117 1.00 0.00 O ATOM 0 H GLU A 73 11.790 4.061 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 73 13.442 2.229 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.472 2.910 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.338 2.648 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.144 5.029 -10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.284 5.172 -8.946 1.00 0.00 H new ATOM 986 N SER A 74 12.181 0.463 -10.102 1.00 0.00 N ATOM 987 CA SER A 74 11.566 -0.652 -9.393 1.00 0.00 C ATOM 988 C SER A 74 12.533 -1.268 -8.388 1.00 0.00 C ATOM 989 O SER A 74 13.749 -1.134 -8.518 1.00 0.00 O ATOM 990 CB SER A 74 11.099 -1.715 -10.388 1.00 0.00 C ATOM 991 OG SER A 74 9.718 -1.573 -10.675 1.00 0.00 O ATOM 0 H SER A 74 12.275 0.322 -11.108 1.00 0.00 H new ATOM 0 HA SER A 74 10.705 -0.269 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.675 -1.633 -11.309 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.289 -2.708 -9.980 1.00 0.00 H new ATOM 0 HG SER A 74 9.444 -2.263 -11.315 1.00 0.00 H new ATOM 997 N LEU A 75 11.982 -1.944 -7.385 1.00 0.00 N ATOM 998 CA LEU A 75 12.794 -2.584 -6.354 1.00 0.00 C ATOM 999 C LEU A 75 12.478 -4.077 -6.252 1.00 0.00 C ATOM 1000 O LEU A 75 12.931 -4.752 -5.328 1.00 0.00 O ATOM 1001 CB LEU A 75 12.573 -1.916 -4.989 1.00 0.00 C ATOM 1002 CG LEU A 75 11.936 -0.521 -5.024 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.479 -0.587 -4.590 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.713 0.443 -4.137 1.00 0.00 C ATOM 0 H LEU A 75 10.976 -2.063 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 75 13.839 -2.466 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.942 -2.568 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.535 -1.843 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 75 11.973 -0.153 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.044 0.412 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.928 -1.244 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.419 -0.977 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.247 1.428 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.708 0.077 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.741 0.515 -4.491 1.00 0.00 H new ATOM 1016 N LEU A 76 11.700 -4.589 -7.204 1.00 0.00 N ATOM 1017 CA LEU A 76 11.331 -5.999 -7.211 1.00 0.00 C ATOM 1018 C LEU A 76 12.567 -6.887 -7.331 1.00 0.00 C ATOM 1019 O LEU A 76 12.559 -8.041 -6.903 1.00 0.00 O ATOM 1020 CB LEU A 76 10.363 -6.288 -8.361 1.00 0.00 C ATOM 1021 CG LEU A 76 9.114 -7.081 -7.972 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.989 -6.140 -7.569 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.675 -7.978 -9.119 1.00 0.00 C ATOM 0 H LEU A 76 11.315 -4.048 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 76 10.838 -6.225 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.051 -5.340 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.897 -6.838 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 76 9.358 -7.711 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.109 -6.722 -7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.306 -5.538 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.746 -5.485 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.785 -8.535 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.449 -7.367 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.476 -8.676 -9.362 1.00 0.00 H new ATOM 1035 N GLY A 77 13.628 -6.341 -7.918 1.00 0.00 N ATOM 1036 CA GLY A 77 14.854 -7.100 -8.086 1.00 0.00 C ATOM 1037 C GLY A 77 15.845 -6.863 -6.963 1.00 0.00 C ATOM 1038 O GLY A 77 17.052 -7.023 -7.148 1.00 0.00 O ATOM 0 H GLY A 77 13.661 -5.388 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.615 -8.162 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.316 -6.831 -9.036 1.00 0.00 H new ATOM 1042 N LYS A 78 15.339 -6.484 -5.793 1.00 0.00 N ATOM 1043 CA LYS A 78 16.191 -6.227 -4.639 1.00 0.00 C ATOM 1044 C LYS A 78 15.453 -6.500 -3.339 1.00 0.00 C ATOM 1045 O LYS A 78 14.224 -6.545 -3.300 1.00 0.00 O ATOM 1046 CB LYS A 78 16.705 -4.786 -4.658 1.00 0.00 C ATOM 1047 CG LYS A 78 15.639 -3.744 -4.355 1.00 0.00 C ATOM 1048 CD LYS A 78 16.249 -2.358 -4.210 1.00 0.00 C ATOM 1049 CE LYS A 78 17.051 -1.964 -5.441 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.512 -1.913 -5.158 1.00 0.00 N ATOM 0 H LYS A 78 14.343 -6.348 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 78 17.042 -6.906 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.510 -4.689 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.134 -4.577 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.897 -3.736 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.116 -4.012 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.457 -1.628 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.895 -2.335 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.861 -2.678 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.716 -0.990 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.024 -1.641 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.697 -1.213 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.838 -2.849 -4.843 1.00 0.00 H new ATOM 1064 N ALA A 79 16.224 -6.684 -2.281 1.00 0.00 N ATOM 1065 CA ALA A 79 15.671 -6.959 -0.967 1.00 0.00 C ATOM 1066 C ALA A 79 14.869 -5.770 -0.449 1.00 0.00 C ATOM 1067 O ALA A 79 15.055 -4.641 -0.904 1.00 0.00 O ATOM 1068 CB ALA A 79 16.794 -7.309 -0.010 1.00 0.00 C ATOM 0 H ALA A 79 17.243 -6.647 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 79 14.988 -7.805 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.380 -7.516 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.321 -8.191 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.490 -6.472 0.056 1.00 0.00 H new ATOM 1074 N ASN A 80 13.973 -6.029 0.497 1.00 0.00 N ATOM 1075 CA ASN A 80 13.140 -4.976 1.068 1.00 0.00 C ATOM 1076 C ASN A 80 13.990 -3.861 1.668 1.00 0.00 C ATOM 1077 O ASN A 80 13.744 -2.682 1.419 1.00 0.00 O ATOM 1078 CB ASN A 80 12.201 -5.543 2.135 1.00 0.00 C ATOM 1079 CG ASN A 80 12.890 -6.528 3.058 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.885 -6.201 3.703 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.358 -7.742 3.127 1.00 0.00 N ATOM 0 H ASN A 80 13.805 -6.957 0.884 1.00 0.00 H new ATOM 0 HA ASN A 80 12.543 -4.557 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.792 -4.723 2.726 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.360 -6.036 1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.775 -8.448 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.532 -7.969 2.574 1.00 0.00 H new ATOM 1088 N GLN A 81 14.989 -4.237 2.464 1.00 0.00 N ATOM 1089 CA GLN A 81 15.864 -3.257 3.094 1.00 0.00 C ATOM 1090 C GLN A 81 16.554 -2.390 2.041 1.00 0.00 C ATOM 1091 O GLN A 81 16.727 -1.185 2.226 1.00 0.00 O ATOM 1092 CB GLN A 81 16.890 -3.957 4.002 1.00 0.00 C ATOM 1093 CG GLN A 81 18.207 -4.311 3.325 1.00 0.00 C ATOM 1094 CD GLN A 81 18.101 -5.542 2.449 1.00 0.00 C ATOM 1095 OE1 GLN A 81 17.095 -6.251 2.473 1.00 0.00 O ATOM 1096 NE2 GLN A 81 19.144 -5.806 1.671 1.00 0.00 N ATOM 0 H GLN A 81 15.210 -5.208 2.686 1.00 0.00 H new ATOM 0 HA GLN A 81 15.257 -2.600 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.099 -3.312 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.443 -4.870 4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.538 -3.467 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.969 -4.476 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.958 -5.191 1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.132 -6.624 1.061 1.00 0.00 H new ATOM 1105 N GLU A 82 16.930 -3.014 0.930 1.00 0.00 N ATOM 1106 CA GLU A 82 17.583 -2.306 -0.161 1.00 0.00 C ATOM 1107 C GLU A 82 16.589 -1.393 -0.856 1.00 0.00 C ATOM 1108 O GLU A 82 16.925 -0.281 -1.265 1.00 0.00 O ATOM 1109 CB GLU A 82 18.174 -3.295 -1.168 1.00 0.00 C ATOM 1110 CG GLU A 82 19.486 -3.913 -0.717 1.00 0.00 C ATOM 1111 CD GLU A 82 20.691 -3.264 -1.369 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.735 -2.016 -1.428 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.590 -4.004 -1.822 1.00 0.00 O ATOM 0 H GLU A 82 16.793 -4.011 0.763 1.00 0.00 H new ATOM 0 HA GLU A 82 18.393 -1.706 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.451 -4.090 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.331 -2.783 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.572 -3.824 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.481 -4.978 -0.950 1.00 0.00 H new ATOM 1120 N ALA A 83 15.360 -1.877 -0.986 1.00 0.00 N ATOM 1121 CA ALA A 83 14.309 -1.112 -1.631 1.00 0.00 C ATOM 1122 C ALA A 83 13.942 0.110 -0.801 1.00 0.00 C ATOM 1123 O ALA A 83 13.835 1.219 -1.326 1.00 0.00 O ATOM 1124 CB ALA A 83 13.092 -1.987 -1.880 1.00 0.00 C ATOM 0 H ALA A 83 15.070 -2.796 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 83 14.680 -0.762 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.313 -1.398 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.369 -2.821 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.719 -2.370 -0.930 1.00 0.00 H new ATOM 1130 N MET A 84 13.772 -0.093 0.499 1.00 0.00 N ATOM 1131 CA MET A 84 13.443 1.007 1.397 1.00 0.00 C ATOM 1132 C MET A 84 14.594 2.003 1.429 1.00 0.00 C ATOM 1133 O MET A 84 14.391 3.202 1.612 1.00 0.00 O ATOM 1134 CB MET A 84 13.144 0.492 2.803 1.00 0.00 C ATOM 1135 CG MET A 84 14.290 -0.276 3.433 1.00 0.00 C ATOM 1136 SD MET A 84 13.916 -0.823 5.111 1.00 0.00 S ATOM 1137 CE MET A 84 12.171 -1.200 4.962 1.00 0.00 C ATOM 0 H MET A 84 13.856 -1.002 0.953 1.00 0.00 H new ATOM 0 HA MET A 84 12.548 1.506 1.026 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.891 1.337 3.443 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.266 -0.152 2.764 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.525 -1.143 2.816 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.179 0.354 3.449 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.808 -1.619 5.900 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.620 -0.288 4.735 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.022 -1.923 4.160 1.00 0.00 H new ATOM 1147 N GLU A 85 15.806 1.494 1.220 1.00 0.00 N ATOM 1148 CA GLU A 85 16.993 2.333 1.191 1.00 0.00 C ATOM 1149 C GLU A 85 17.117 2.989 -0.180 1.00 0.00 C ATOM 1150 O GLU A 85 17.630 4.099 -0.312 1.00 0.00 O ATOM 1151 CB GLU A 85 18.241 1.495 1.494 1.00 0.00 C ATOM 1152 CG GLU A 85 19.551 2.249 1.327 1.00 0.00 C ATOM 1153 CD GLU A 85 20.102 2.759 2.643 1.00 0.00 C ATOM 1154 OE1 GLU A 85 19.305 2.955 3.585 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.331 2.962 2.734 1.00 0.00 O ATOM 0 H GLU A 85 15.988 0.502 1.068 1.00 0.00 H new ATOM 0 HA GLU A 85 16.905 3.108 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.176 1.123 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.249 0.625 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.286 1.594 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.398 3.090 0.651 1.00 0.00 H new ATOM 1162 N THR A 86 16.622 2.285 -1.195 1.00 0.00 N ATOM 1163 CA THR A 86 16.649 2.779 -2.563 1.00 0.00 C ATOM 1164 C THR A 86 15.651 3.919 -2.731 1.00 0.00 C ATOM 1165 O THR A 86 15.902 4.875 -3.460 1.00 0.00 O ATOM 1166 CB THR A 86 16.336 1.636 -3.535 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.443 0.760 -3.647 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.978 2.098 -4.932 1.00 0.00 C ATOM 0 H THR A 86 16.195 1.364 -1.091 1.00 0.00 H new ATOM 0 HA THR A 86 17.645 3.162 -2.785 1.00 0.00 H new ATOM 0 HB THR A 86 15.467 1.135 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.397 0.082 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.770 1.231 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.095 2.735 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.811 2.660 -5.354 1.00 0.00 H new ATOM 1176 N LEU A 87 14.525 3.825 -2.031 1.00 0.00 N ATOM 1177 CA LEU A 87 13.514 4.869 -2.088 1.00 0.00 C ATOM 1178 C LEU A 87 13.956 6.025 -1.210 1.00 0.00 C ATOM 1179 O LEU A 87 13.708 7.192 -1.514 1.00 0.00 O ATOM 1180 CB LEU A 87 12.144 4.341 -1.646 1.00 0.00 C ATOM 1181 CG LEU A 87 12.084 3.766 -0.229 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.078 4.884 0.806 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.855 2.885 -0.071 1.00 0.00 C ATOM 0 H LEU A 87 14.292 3.041 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 87 13.408 5.210 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.420 5.153 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.829 3.568 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 87 12.973 3.157 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.035 4.453 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.986 5.478 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.208 5.522 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.824 2.482 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.958 3.476 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.901 2.064 -0.787 1.00 0.00 H new ATOM 1195 N ARG A 88 14.629 5.674 -0.120 1.00 0.00 N ATOM 1196 CA ARG A 88 15.144 6.648 0.826 1.00 0.00 C ATOM 1197 C ARG A 88 16.116 7.601 0.140 1.00 0.00 C ATOM 1198 O ARG A 88 15.976 8.821 0.228 1.00 0.00 O ATOM 1199 CB ARG A 88 15.844 5.914 1.968 1.00 0.00 C ATOM 1200 CG ARG A 88 15.163 6.097 3.311 1.00 0.00 C ATOM 1201 CD ARG A 88 15.466 4.944 4.256 1.00 0.00 C ATOM 1202 NE ARG A 88 16.273 5.368 5.398 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.592 5.547 5.350 1.00 0.00 C ATOM 1204 NH1 ARG A 88 18.254 5.343 4.217 1.00 0.00 N ATOM 1205 NH2 ARG A 88 18.248 5.932 6.436 1.00 0.00 N ATOM 0 H ARG A 88 14.831 4.706 0.130 1.00 0.00 H new ATOM 0 HA ARG A 88 14.316 7.236 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.888 4.850 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.873 6.267 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.492 7.033 3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.086 6.175 3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.531 4.513 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.992 4.159 3.713 1.00 0.00 H new ATOM 0 HE ARG A 88 15.798 5.537 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.752 5.048 3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.264 5.481 4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.743 6.091 7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.258 6.069 6.400 1.00 0.00 H new ATOM 1219 N ARG A 89 17.098 7.034 -0.551 1.00 0.00 N ATOM 1220 CA ARG A 89 18.086 7.831 -1.262 1.00 0.00 C ATOM 1221 C ARG A 89 17.456 8.459 -2.503 1.00 0.00 C ATOM 1222 O ARG A 89 17.805 9.568 -2.897 1.00 0.00 O ATOM 1223 CB ARG A 89 19.312 6.965 -1.612 1.00 0.00 C ATOM 1224 CG ARG A 89 19.610 6.833 -3.099 1.00 0.00 C ATOM 1225 CD ARG A 89 18.735 5.768 -3.730 1.00 0.00 C ATOM 1226 NE ARG A 89 18.664 5.901 -5.184 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.577 5.414 -6.020 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.641 4.771 -5.553 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.429 5.570 -7.328 1.00 0.00 N ATOM 0 H ARG A 89 17.230 6.026 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 89 18.430 8.643 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.187 7.387 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.162 5.968 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.442 7.789 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.660 6.580 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.125 4.782 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.730 5.831 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 89 17.866 6.397 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.762 4.648 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.337 4.400 -6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.615 6.064 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.129 5.196 -7.969 1.00 0.00 H new ATOM 1243 N SER A 90 16.520 7.741 -3.111 1.00 0.00 N ATOM 1244 CA SER A 90 15.835 8.230 -4.299 1.00 0.00 C ATOM 1245 C SER A 90 14.901 9.378 -3.941 1.00 0.00 C ATOM 1246 O SER A 90 14.651 10.267 -4.754 1.00 0.00 O ATOM 1247 CB SER A 90 15.051 7.099 -4.967 1.00 0.00 C ATOM 1248 OG SER A 90 15.927 6.158 -5.567 1.00 0.00 O ATOM 0 H SER A 90 16.218 6.818 -2.800 1.00 0.00 H new ATOM 0 HA SER A 90 16.584 8.597 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.426 6.599 -4.227 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.383 7.512 -5.722 1.00 0.00 H new ATOM 0 HG SER A 90 16.134 5.448 -4.924 1.00 0.00 H new ATOM 1254 N MET A 91 14.387 9.350 -2.715 1.00 0.00 N ATOM 1255 CA MET A 91 13.479 10.386 -2.245 1.00 0.00 C ATOM 1256 C MET A 91 14.245 11.571 -1.665 1.00 0.00 C ATOM 1257 O MET A 91 13.723 12.684 -1.600 1.00 0.00 O ATOM 1258 CB MET A 91 12.522 9.817 -1.193 1.00 0.00 C ATOM 1259 CG MET A 91 13.169 9.546 0.159 1.00 0.00 C ATOM 1260 SD MET A 91 11.962 9.140 1.436 1.00 0.00 S ATOM 1261 CE MET A 91 10.677 8.367 0.456 1.00 0.00 C ATOM 0 H MET A 91 14.585 8.620 -2.030 1.00 0.00 H new ATOM 0 HA MET A 91 12.903 10.738 -3.101 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.696 10.515 -1.054 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.095 8.888 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.878 8.724 0.060 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.738 10.423 0.468 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.926 7.934 1.117 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.209 9.114 -0.185 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.113 7.581 -0.161 1.00 0.00 H new ATOM 1271 N SER A 92 15.478 11.327 -1.229 1.00 0.00 N ATOM 1272 CA SER A 92 16.295 12.385 -0.638 1.00 0.00 C ATOM 1273 C SER A 92 17.585 12.622 -1.424 1.00 0.00 C ATOM 1274 O SER A 92 18.616 12.966 -0.843 1.00 0.00 O ATOM 1275 CB SER A 92 16.630 12.040 0.815 1.00 0.00 C ATOM 1276 OG SER A 92 16.210 13.070 1.692 1.00 0.00 O ATOM 0 H SER A 92 15.931 10.414 -1.273 1.00 0.00 H new ATOM 0 HA SER A 92 15.712 13.305 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.146 11.103 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.704 11.886 0.917 1.00 0.00 H new ATOM 0 HG SER A 92 16.433 12.826 2.614 1.00 0.00 H new ATOM 1282 N THR A 93 17.532 12.442 -2.740 1.00 0.00 N ATOM 1283 CA THR A 93 18.710 12.648 -3.577 1.00 0.00 C ATOM 1284 C THR A 93 18.349 12.800 -5.058 1.00 0.00 C ATOM 1285 O THR A 93 19.067 13.456 -5.809 1.00 0.00 O ATOM 1286 CB THR A 93 19.694 11.492 -3.367 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.982 11.983 -3.043 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.841 10.568 -4.559 1.00 0.00 C ATOM 0 H THR A 93 16.694 12.156 -3.247 1.00 0.00 H new ATOM 0 HA THR A 93 19.181 13.584 -3.276 1.00 0.00 H new ATOM 0 HB THR A 93 19.265 10.914 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.595 11.230 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.556 9.780 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.875 10.122 -4.795 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.198 11.136 -5.418 1.00 0.00 H new ATOM 1296 N GLU A 94 17.247 12.188 -5.477 1.00 0.00 N ATOM 1297 CA GLU A 94 16.818 12.269 -6.869 1.00 0.00 C ATOM 1298 C GLU A 94 15.410 12.839 -6.979 1.00 0.00 C ATOM 1299 O GLU A 94 15.107 13.603 -7.895 1.00 0.00 O ATOM 1300 CB GLU A 94 16.882 10.892 -7.522 1.00 0.00 C ATOM 1301 CG GLU A 94 18.189 10.170 -7.253 1.00 0.00 C ATOM 1302 CD GLU A 94 18.611 9.277 -8.403 1.00 0.00 C ATOM 1303 OE1 GLU A 94 18.947 9.813 -9.479 1.00 0.00 O ATOM 1304 OE2 GLU A 94 18.607 8.040 -8.226 1.00 0.00 O ATOM 0 H GLU A 94 16.637 11.633 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 94 17.497 12.942 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.055 10.283 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.747 10.999 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.972 10.904 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.088 9.569 -6.349 1.00 0.00 H new ATOM 1311 N GLY A 95 14.557 12.473 -6.033 1.00 0.00 N ATOM 1312 CA GLY A 95 13.194 12.966 -6.032 1.00 0.00 C ATOM 1313 C GLY A 95 13.104 14.342 -5.412 1.00 0.00 C ATOM 1314 O GLY A 95 12.289 15.168 -5.822 1.00 0.00 O ATOM 0 H GLY A 95 14.785 11.842 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.818 13.001 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.556 12.275 -5.481 1.00 0.00 H new ATOM 1318 N ASN A 96 13.961 14.588 -4.430 1.00 0.00 N ATOM 1319 CA ASN A 96 14.002 15.872 -3.749 1.00 0.00 C ATOM 1320 C ASN A 96 14.618 16.928 -4.665 1.00 0.00 C ATOM 1321 O ASN A 96 14.239 18.097 -4.624 1.00 0.00 O ATOM 1322 CB ASN A 96 14.792 15.743 -2.439 1.00 0.00 C ATOM 1323 CG ASN A 96 15.438 17.041 -1.989 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.567 17.050 -1.502 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.721 18.144 -2.151 1.00 0.00 N ATOM 0 H ASN A 96 14.641 13.909 -4.087 1.00 0.00 H new ATOM 0 HA ASN A 96 12.987 16.187 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.123 15.389 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.566 14.986 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 96 15.102 19.046 -1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.788 18.090 -2.560 1.00 0.00 H new ATOM 1332 N LYS A 97 15.568 16.499 -5.499 1.00 0.00 N ATOM 1333 CA LYS A 97 16.239 17.401 -6.437 1.00 0.00 C ATOM 1334 C LYS A 97 15.250 18.377 -7.062 1.00 0.00 C ATOM 1335 O LYS A 97 15.507 19.580 -7.136 1.00 0.00 O ATOM 1336 CB LYS A 97 16.935 16.597 -7.535 1.00 0.00 C ATOM 1337 CG LYS A 97 17.913 15.562 -7.002 1.00 0.00 C ATOM 1338 CD LYS A 97 19.017 16.212 -6.186 1.00 0.00 C ATOM 1339 CE LYS A 97 20.116 16.756 -7.080 1.00 0.00 C ATOM 1340 NZ LYS A 97 21.470 16.524 -6.504 1.00 0.00 N ATOM 0 H LYS A 97 15.890 15.532 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 97 16.982 17.973 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.180 16.094 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.467 17.283 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.380 14.839 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.350 15.010 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.600 17.021 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.437 15.483 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.053 16.283 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.965 17.825 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.191 16.911 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.540 16.996 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.626 15.503 -6.383 1.00 0.00 H new ATOM 1354 N ARG A 98 14.117 17.850 -7.501 1.00 0.00 N ATOM 1355 CA ARG A 98 13.077 18.667 -8.111 1.00 0.00 C ATOM 1356 C ARG A 98 12.087 19.159 -7.059 1.00 0.00 C ATOM 1357 O ARG A 98 11.423 20.178 -7.245 1.00 0.00 O ATOM 1358 CB ARG A 98 12.342 17.874 -9.192 1.00 0.00 C ATOM 1359 CG ARG A 98 11.821 16.533 -8.707 1.00 0.00 C ATOM 1360 CD ARG A 98 12.465 15.378 -9.456 1.00 0.00 C ATOM 1361 NE ARG A 98 11.527 14.280 -9.680 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.848 13.147 -10.301 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.078 12.960 -10.764 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.935 12.199 -10.463 1.00 0.00 N ATOM 0 H ARG A 98 13.893 16.856 -7.446 1.00 0.00 H new ATOM 0 HA ARG A 98 13.552 19.534 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.506 18.468 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.015 17.711 -10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.018 16.430 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.739 16.494 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.843 15.733 -10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.323 15.013 -8.891 1.00 0.00 H new ATOM 0 HE ARG A 98 10.571 14.388 -9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.784 13.687 -10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.317 12.090 -11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.987 12.338 -10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.180 11.331 -10.939 1.00 0.00 H new ATOM 1378 N GLY A 99 11.993 18.427 -5.949 1.00 0.00 N ATOM 1379 CA GLY A 99 11.084 18.807 -4.884 1.00 0.00 C ATOM 1380 C GLY A 99 10.018 17.759 -4.619 1.00 0.00 C ATOM 1381 O GLY A 99 9.225 17.898 -3.689 1.00 0.00 O ATOM 0 H GLY A 99 12.531 17.579 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.653 18.979 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.603 19.751 -5.142 1.00 0.00 H new ATOM 1385 N MET A 100 9.993 16.710 -5.440 1.00 0.00 N ATOM 1386 CA MET A 100 9.013 15.643 -5.289 1.00 0.00 C ATOM 1387 C MET A 100 9.517 14.344 -5.906 1.00 0.00 C ATOM 1388 O MET A 100 10.199 14.353 -6.931 1.00 0.00 O ATOM 1389 CB MET A 100 7.696 16.049 -5.944 1.00 0.00 C ATOM 1390 CG MET A 100 7.836 16.367 -7.423 1.00 0.00 C ATOM 1391 SD MET A 100 6.776 15.354 -8.467 1.00 0.00 S ATOM 1392 CE MET A 100 7.714 13.829 -8.513 1.00 0.00 C ATOM 0 H MET A 100 10.642 16.579 -6.216 1.00 0.00 H new ATOM 0 HA MET A 100 8.853 15.477 -4.224 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.972 15.244 -5.819 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.295 16.921 -5.428 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.599 17.418 -7.586 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.874 16.224 -7.722 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.307 13.175 -9.284 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.757 14.050 -8.738 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.649 13.333 -7.545 1.00 0.00 H new ATOM 1402 N ILE A 101 9.179 13.228 -5.269 1.00 0.00 N ATOM 1403 CA ILE A 101 9.598 11.917 -5.742 1.00 0.00 C ATOM 1404 C ILE A 101 8.406 11.105 -6.251 1.00 0.00 C ATOM 1405 O ILE A 101 7.303 11.198 -5.712 1.00 0.00 O ATOM 1406 CB ILE A 101 10.339 11.135 -4.625 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.660 9.798 -4.317 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.441 11.970 -3.358 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.376 8.989 -3.261 1.00 0.00 C ATOM 0 H ILE A 101 8.614 13.207 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 101 10.286 12.073 -6.573 1.00 0.00 H new ATOM 0 HB ILE A 101 11.342 10.924 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.638 9.986 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.598 9.211 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.964 11.402 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.992 12.886 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.440 12.221 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.840 8.055 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.390 8.771 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.415 9.557 -2.332 1.00 0.00 H new ATOM 1421 N GLN A 102 8.643 10.302 -7.286 1.00 0.00 N ATOM 1422 CA GLN A 102 7.594 9.465 -7.858 1.00 0.00 C ATOM 1423 C GLN A 102 7.507 8.144 -7.103 1.00 0.00 C ATOM 1424 O GLN A 102 8.523 7.593 -6.682 1.00 0.00 O ATOM 1425 CB GLN A 102 7.863 9.206 -9.342 1.00 0.00 C ATOM 1426 CG GLN A 102 6.733 8.464 -10.038 1.00 0.00 C ATOM 1427 CD GLN A 102 7.197 7.202 -10.741 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.742 6.892 -11.842 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.104 6.463 -10.109 1.00 0.00 N ATOM 0 H GLN A 102 9.550 10.214 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 102 6.643 9.990 -7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.027 10.158 -9.846 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.783 8.630 -9.442 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.970 8.205 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.264 9.127 -10.765 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.455 6.756 -9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.449 5.603 -10.536 1.00 0.00 H new ATOM 1438 N LEU A 103 6.290 7.643 -6.919 1.00 0.00 N ATOM 1439 CA LEU A 103 6.089 6.392 -6.198 1.00 0.00 C ATOM 1440 C LEU A 103 5.129 5.470 -6.928 1.00 0.00 C ATOM 1441 O LEU A 103 4.103 5.904 -7.447 1.00 0.00 O ATOM 1442 CB LEU A 103 5.541 6.660 -4.793 1.00 0.00 C ATOM 1443 CG LEU A 103 6.466 7.443 -3.864 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.872 6.862 -3.889 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.479 8.912 -4.254 1.00 0.00 C ATOM 0 H LEU A 103 5.433 8.081 -7.257 1.00 0.00 H new ATOM 0 HA LEU A 103 7.062 5.906 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.602 7.206 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.309 5.704 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 103 6.088 7.360 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.514 7.435 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.842 5.823 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.268 6.912 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.142 9.460 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.834 9.013 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.470 9.318 -4.178 1.00 0.00 H new ATOM 1457 N ILE A 104 5.459 4.187 -6.934 1.00 0.00 N ATOM 1458 CA ILE A 104 4.621 3.181 -7.564 1.00 0.00 C ATOM 1459 C ILE A 104 4.328 2.064 -6.566 1.00 0.00 C ATOM 1460 O ILE A 104 5.231 1.335 -6.160 1.00 0.00 O ATOM 1461 CB ILE A 104 5.286 2.594 -8.826 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.542 3.701 -9.850 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.419 1.498 -9.431 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.862 3.561 -10.578 1.00 0.00 C ATOM 0 H ILE A 104 6.308 3.817 -6.506 1.00 0.00 H new ATOM 0 HA ILE A 104 3.691 3.660 -7.871 1.00 0.00 H new ATOM 0 HB ILE A 104 6.241 2.153 -8.541 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.733 3.703 -10.580 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.517 4.666 -9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.906 1.098 -10.320 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.281 0.699 -8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.448 1.911 -9.705 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.975 4.381 -11.288 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.680 3.589 -9.858 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.883 2.612 -11.114 1.00 0.00 H new ATOM 1476 N VAL A 105 3.070 1.952 -6.161 1.00 0.00 N ATOM 1477 CA VAL A 105 2.670 0.939 -5.194 1.00 0.00 C ATOM 1478 C VAL A 105 1.529 0.079 -5.725 1.00 0.00 C ATOM 1479 O VAL A 105 1.008 0.322 -6.812 1.00 0.00 O ATOM 1480 CB VAL A 105 2.232 1.587 -3.866 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.393 2.335 -3.228 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.048 2.516 -4.090 1.00 0.00 C ATOM 0 H VAL A 105 2.310 2.549 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 105 3.540 0.306 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 105 1.920 0.797 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.065 2.786 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.209 1.640 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.739 3.116 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.753 2.964 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.330 3.302 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.212 1.948 -4.499 1.00 0.00 H new ATOM 1492 N ALA A 106 1.148 -0.927 -4.948 1.00 0.00 N ATOM 1493 CA ALA A 106 0.067 -1.823 -5.336 1.00 0.00 C ATOM 1494 C ALA A 106 -0.696 -2.316 -4.111 1.00 0.00 C ATOM 1495 O ALA A 106 -0.093 -2.672 -3.097 1.00 0.00 O ATOM 1496 CB ALA A 106 0.613 -2.996 -6.134 1.00 0.00 C ATOM 0 H ALA A 106 1.572 -1.143 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.628 -1.268 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.207 -3.657 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.107 -2.626 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.330 -3.547 -5.526 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.021 -2.331 -4.205 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.859 -2.778 -3.096 1.00 0.00 C ATOM 1504 C ARG A 107 -4.160 -3.390 -3.600 1.00 0.00 C ATOM 1505 O ARG A 107 -4.390 -3.482 -4.805 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.163 -1.617 -2.142 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.289 -0.268 -2.831 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.639 -0.111 -3.512 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.567 0.688 -2.713 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.659 1.268 -3.204 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.964 1.144 -4.490 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.450 1.974 -2.407 1.00 0.00 N ATOM 0 H ARG A 107 -2.538 -2.040 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.305 -3.544 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.091 -1.830 -1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.373 -1.559 -1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.155 0.529 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.494 -0.160 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.501 0.359 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.071 -1.096 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.365 0.808 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.360 0.602 -5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.803 1.591 -4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.221 2.072 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.287 2.419 -2.783 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.007 -3.809 -2.667 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.288 -4.415 -3.010 1.00 0.00 C ATOM 1528 C ARG A 108 -7.400 -3.370 -3.021 1.00 0.00 C ATOM 1529 O ARG A 108 -7.380 -2.422 -2.237 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.630 -5.533 -2.022 1.00 0.00 C ATOM 1531 CG ARG A 108 -7.121 -6.807 -2.689 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.155 -7.960 -2.474 1.00 0.00 C ATOM 1533 NE ARG A 108 -6.073 -8.351 -1.070 1.00 0.00 N ATOM 1534 CZ ARG A 108 -6.971 -9.120 -0.459 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -8.025 -9.579 -1.124 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -6.819 -9.430 0.822 1.00 0.00 N ATOM 0 H ARG A 108 -4.829 -3.740 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.204 -4.839 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.747 -5.762 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.395 -5.176 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -8.100 -7.073 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.248 -6.633 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.473 -8.815 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.165 -7.674 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.280 -8.015 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.150 -9.343 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.710 -10.168 -0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.013 -9.079 1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.508 -10.019 1.289 1.00 0.00 H new ATOM 1550 N ILE A 109 -8.368 -3.552 -3.912 1.00 0.00 N ATOM 1551 CA ILE A 109 -9.488 -2.625 -4.023 1.00 0.00 C ATOM 1552 C ILE A 109 -10.478 -2.822 -2.883 1.00 0.00 C ATOM 1553 O ILE A 109 -10.700 -1.921 -2.074 1.00 0.00 O ATOM 1554 CB ILE A 109 -10.224 -2.792 -5.366 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -9.227 -2.756 -6.525 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -11.277 -1.706 -5.531 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -9.872 -2.924 -7.883 1.00 0.00 C ATOM 0 H ILE A 109 -8.400 -4.333 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.073 -1.618 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.725 -3.760 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.690 -1.808 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.488 -3.545 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.789 -1.837 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.000 -1.774 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.797 -0.728 -5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -9.105 -2.888 -8.657 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.386 -3.884 -7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.590 -2.121 -8.047 1.00 0.00 H new ATOM 1569 N SER A 110 -11.071 -4.008 -2.826 1.00 0.00 N ATOM 1570 CA SER A 110 -12.042 -4.330 -1.786 1.00 0.00 C ATOM 1571 C SER A 110 -13.219 -3.360 -1.822 1.00 0.00 C ATOM 1572 O SER A 110 -13.286 -2.420 -1.029 1.00 0.00 O ATOM 1573 CB SER A 110 -11.372 -4.296 -0.409 1.00 0.00 C ATOM 1574 OG SER A 110 -11.272 -5.597 0.140 1.00 0.00 O ATOM 0 H SER A 110 -10.897 -4.764 -3.488 1.00 0.00 H new ATOM 0 HA SER A 110 -12.421 -5.335 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.378 -3.857 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.946 -3.657 0.263 1.00 0.00 H new ATOM 0 HG SER A 110 -10.839 -5.549 1.018 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 3.511 -14.424 6.459 1.00 0.00 N ATOM 1582 CA ASP B 3 4.213 -13.765 5.364 1.00 0.00 C ATOM 1583 C ASP B 3 5.338 -12.878 5.887 1.00 0.00 C ATOM 1584 O ASP B 3 5.677 -11.861 5.280 1.00 0.00 O ATOM 1585 CB ASP B 3 3.232 -12.937 4.531 1.00 0.00 C ATOM 1586 CG ASP B 3 2.857 -13.619 3.231 1.00 0.00 C ATOM 1587 OD1 ASP B 3 3.697 -13.640 2.307 1.00 0.00 O ATOM 1588 OD2 ASP B 3 1.722 -14.134 3.137 1.00 0.00 O ATOM 0 HA ASP B 3 4.655 -14.536 4.733 1.00 0.00 H new ATOM 0 HB2 ASP B 3 2.330 -12.753 5.115 1.00 0.00 H new ATOM 0 HB3 ASP B 3 3.675 -11.965 4.313 1.00 0.00 H new ATOM 1593 N GLU B 4 5.911 -13.267 7.022 1.00 0.00 N ATOM 1594 CA GLU B 4 6.995 -12.510 7.631 1.00 0.00 C ATOM 1595 C GLU B 4 8.124 -13.434 8.074 1.00 0.00 C ATOM 1596 O GLU B 4 7.970 -14.655 8.091 1.00 0.00 O ATOM 1597 CB GLU B 4 6.472 -11.713 8.826 1.00 0.00 C ATOM 1598 CG GLU B 4 7.052 -10.314 8.917 1.00 0.00 C ATOM 1599 CD GLU B 4 6.214 -9.385 9.775 1.00 0.00 C ATOM 1600 OE1 GLU B 4 5.143 -9.818 10.251 1.00 0.00 O ATOM 1601 OE2 GLU B 4 6.627 -8.222 9.969 1.00 0.00 O ATOM 0 H GLU B 4 5.641 -14.104 7.538 1.00 0.00 H new ATOM 0 HA GLU B 4 7.390 -11.820 6.885 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.386 -11.645 8.761 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.703 -12.254 9.743 1.00 0.00 H new ATOM 0 HG2 GLU B 4 8.060 -10.370 9.328 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.139 -9.896 7.914 1.00 0.00 H new ATOM 1608 N ASP B 5 9.258 -12.841 8.435 1.00 0.00 N ATOM 1609 CA ASP B 5 10.413 -13.609 8.882 1.00 0.00 C ATOM 1610 C ASP B 5 10.647 -13.415 10.377 1.00 0.00 C ATOM 1611 O ASP B 5 11.787 -13.313 10.828 1.00 0.00 O ATOM 1612 CB ASP B 5 11.661 -13.197 8.099 1.00 0.00 C ATOM 1613 CG ASP B 5 12.681 -14.314 8.009 1.00 0.00 C ATOM 1614 OD1 ASP B 5 12.291 -15.449 7.659 1.00 0.00 O ATOM 1615 OD2 ASP B 5 13.871 -14.056 8.287 1.00 0.00 O ATOM 0 H ASP B 5 9.401 -11.831 8.426 1.00 0.00 H new ATOM 0 HA ASP B 5 10.211 -14.664 8.698 1.00 0.00 H new ATOM 0 HB2 ASP B 5 11.371 -12.891 7.094 1.00 0.00 H new ATOM 0 HB3 ASP B 5 12.117 -12.330 8.577 1.00 0.00 H new ATOM 1620 N GLN B 6 9.555 -13.363 11.138 1.00 0.00 N ATOM 1621 CA GLN B 6 9.628 -13.181 12.584 1.00 0.00 C ATOM 1622 C GLN B 6 10.190 -11.806 12.936 1.00 0.00 C ATOM 1623 O GLN B 6 9.459 -10.924 13.386 1.00 0.00 O ATOM 1624 CB GLN B 6 10.487 -14.277 13.221 1.00 0.00 C ATOM 1625 CG GLN B 6 9.917 -15.675 13.049 1.00 0.00 C ATOM 1626 CD GLN B 6 9.939 -16.139 11.605 1.00 0.00 C ATOM 1627 OE1 GLN B 6 8.904 -16.486 11.036 1.00 0.00 O ATOM 1628 NE2 GLN B 6 11.124 -16.149 11.005 1.00 0.00 N ATOM 0 H GLN B 6 8.606 -13.445 10.774 1.00 0.00 H new ATOM 0 HA GLN B 6 8.615 -13.250 12.981 1.00 0.00 H new ATOM 0 HB2 GLN B 6 11.485 -14.245 12.784 1.00 0.00 H new ATOM 0 HB3 GLN B 6 10.598 -14.067 14.285 1.00 0.00 H new ATOM 0 HG2 GLN B 6 10.488 -16.374 13.660 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.891 -15.693 13.417 1.00 0.00 H new ATOM 0 HE21 GLN B 6 11.956 -15.853 11.515 1.00 0.00 H new ATOM 0 HE22 GLN B 6 11.202 -16.453 10.034 1.00 0.00 H new ATOM 1637 N HIS B 7 11.492 -11.632 12.732 1.00 0.00 N ATOM 1638 CA HIS B 7 12.150 -10.364 13.030 1.00 0.00 C ATOM 1639 C HIS B 7 11.895 -9.342 11.928 1.00 0.00 C ATOM 1640 O HIS B 7 12.263 -9.553 10.771 1.00 0.00 O ATOM 1641 CB HIS B 7 13.655 -10.577 13.201 1.00 0.00 C ATOM 1642 CG HIS B 7 14.028 -11.198 14.512 1.00 0.00 C ATOM 1643 ND1 HIS B 7 13.381 -12.297 15.037 1.00 0.00 N ATOM 1644 CD2 HIS B 7 14.988 -10.866 15.409 1.00 0.00 C ATOM 1645 CE1 HIS B 7 13.925 -12.615 16.197 1.00 0.00 C ATOM 1646 NE2 HIS B 7 14.903 -11.764 16.445 1.00 0.00 N ATOM 0 H HIS B 7 12.112 -12.352 12.362 1.00 0.00 H new ATOM 0 HA HIS B 7 11.733 -9.979 13.960 1.00 0.00 H new ATOM 0 HB2 HIS B 7 14.018 -11.211 12.392 1.00 0.00 H new ATOM 0 HB3 HIS B 7 14.162 -9.617 13.106 1.00 0.00 H new ATOM 0 HD2 HIS B 7 15.689 -10.048 15.325 1.00 0.00 H new ATOM 0 HE1 HIS B 7 13.622 -13.432 16.834 1.00 0.00 H new ATOM 0 HE2 HIS B 7 15.499 -11.772 17.272 1.00 0.00 H new ATOM 1655 N SER B 8 11.268 -8.229 12.295 1.00 0.00 N ATOM 1656 CA SER B 8 10.968 -7.167 11.341 1.00 0.00 C ATOM 1657 C SER B 8 11.827 -5.938 11.617 1.00 0.00 C ATOM 1658 O SER B 8 12.769 -5.995 12.408 1.00 0.00 O ATOM 1659 CB SER B 8 9.483 -6.797 11.403 1.00 0.00 C ATOM 1660 OG SER B 8 8.864 -7.354 12.551 1.00 0.00 O ATOM 0 H SER B 8 10.957 -8.039 13.248 1.00 0.00 H new ATOM 0 HA SER B 8 11.197 -7.532 10.340 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.376 -5.712 11.419 1.00 0.00 H new ATOM 0 HB3 SER B 8 8.979 -7.154 10.505 1.00 0.00 H new ATOM 0 HG SER B 8 7.917 -7.101 12.567 1.00 0.00 H new ATOM 1666 N GLN B 9 11.503 -4.828 10.961 1.00 0.00 N ATOM 1667 CA GLN B 9 12.248 -3.593 11.137 1.00 0.00 C ATOM 1668 C GLN B 9 11.567 -2.468 10.373 1.00 0.00 C ATOM 1669 O GLN B 9 11.328 -2.578 9.171 1.00 0.00 O ATOM 1670 CB GLN B 9 13.694 -3.777 10.658 1.00 0.00 C ATOM 1671 CG GLN B 9 14.526 -2.499 10.668 1.00 0.00 C ATOM 1672 CD GLN B 9 14.104 -1.503 9.602 1.00 0.00 C ATOM 1673 OE1 GLN B 9 14.135 -0.293 9.825 1.00 0.00 O ATOM 1674 NE2 GLN B 9 13.705 -2.004 8.437 1.00 0.00 N ATOM 0 H GLN B 9 10.727 -4.762 10.302 1.00 0.00 H new ATOM 0 HA GLN B 9 12.268 -3.333 12.195 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.182 -4.519 11.290 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.680 -4.180 9.645 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.446 -2.029 11.648 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.575 -2.755 10.522 1.00 0.00 H new ATOM 0 HE21 GLN B 9 13.694 -3.014 8.293 1.00 0.00 H new ATOM 0 HE22 GLN B 9 13.410 -1.379 7.687 1.00 0.00 H new ATOM 1683 N ILE B 10 11.252 -1.387 11.074 1.00 0.00 N ATOM 1684 CA ILE B 10 10.598 -0.250 10.449 1.00 0.00 C ATOM 1685 C ILE B 10 11.597 0.861 10.163 1.00 0.00 C ATOM 1686 O ILE B 10 12.456 1.170 10.990 1.00 0.00 O ATOM 1687 CB ILE B 10 9.453 0.307 11.313 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.737 -0.825 12.053 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.473 1.078 10.443 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.891 -1.702 11.154 1.00 0.00 C ATOM 0 H ILE B 10 11.438 -1.275 12.071 1.00 0.00 H new ATOM 0 HA ILE B 10 10.175 -0.611 9.512 1.00 0.00 H new ATOM 0 HB ILE B 10 9.873 0.986 12.055 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.479 -1.445 12.556 1.00 0.00 H new ATOM 0 HG13 ILE B 10 8.102 -0.396 12.828 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.666 1.469 11.063 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.991 1.905 9.957 1.00 0.00 H new ATOM 0 HG23 ILE B 10 8.059 0.414 9.685 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.415 -2.481 11.749 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.125 -1.096 10.671 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.523 -2.161 10.394 1.00 0.00 H new ATOM 1702 N THR B 11 11.480 1.448 8.983 1.00 0.00 N ATOM 1703 CA THR B 11 12.373 2.521 8.568 1.00 0.00 C ATOM 1704 C THR B 11 11.590 3.796 8.263 1.00 0.00 C ATOM 1705 O THR B 11 10.808 3.845 7.314 1.00 0.00 O ATOM 1706 CB THR B 11 13.181 2.078 7.342 1.00 0.00 C ATOM 1707 OG1 THR B 11 14.183 1.148 7.714 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.866 3.217 6.615 1.00 0.00 C ATOM 0 H THR B 11 10.772 1.199 8.292 1.00 0.00 H new ATOM 0 HA THR B 11 13.059 2.739 9.386 1.00 0.00 H new ATOM 0 HB THR B 11 12.449 1.633 6.668 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.944 0.735 8.570 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.417 2.824 5.760 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.118 3.929 6.268 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.557 3.718 7.293 1.00 0.00 H new ATOM 1716 N LYS B 12 11.810 4.826 9.075 1.00 0.00 N ATOM 1717 CA LYS B 12 11.130 6.104 8.891 1.00 0.00 C ATOM 1718 C LYS B 12 11.695 6.843 7.683 1.00 0.00 C ATOM 1719 O LYS B 12 12.911 6.966 7.533 1.00 0.00 O ATOM 1720 CB LYS B 12 11.268 6.965 10.149 1.00 0.00 C ATOM 1721 CG LYS B 12 9.987 7.685 10.538 1.00 0.00 C ATOM 1722 CD LYS B 12 8.882 6.703 10.895 1.00 0.00 C ATOM 1723 CE LYS B 12 8.761 6.521 12.400 1.00 0.00 C ATOM 1724 NZ LYS B 12 7.613 7.284 12.961 1.00 0.00 N ATOM 0 H LYS B 12 12.453 4.801 9.866 1.00 0.00 H new ATOM 0 HA LYS B 12 10.073 5.908 8.713 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.586 6.333 10.978 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.055 7.702 9.990 1.00 0.00 H new ATOM 0 HG2 LYS B 12 10.180 8.341 11.387 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.660 8.319 9.714 1.00 0.00 H new ATOM 0 HD2 LYS B 12 7.934 7.060 10.493 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.085 5.740 10.426 1.00 0.00 H new ATOM 0 HE2 LYS B 12 8.640 5.462 12.629 1.00 0.00 H new ATOM 0 HE3 LYS B 12 9.683 6.847 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 7.565 7.133 13.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 7.741 8.297 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 6.730 6.955 12.522 1.00 0.00 H new ATOM 1738 N VAL B 13 10.808 7.328 6.823 1.00 0.00 N ATOM 1739 CA VAL B 13 11.224 8.049 5.626 1.00 0.00 C ATOM 1740 C VAL B 13 10.200 9.110 5.234 1.00 0.00 C ATOM 1741 O VAL B 13 9.553 9.673 6.142 1.00 0.00 O ATOM 1742 CB VAL B 13 11.443 7.082 4.444 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.369 5.945 4.853 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.117 6.532 3.938 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.050 9.369 4.020 1.00 0.00 O ATOM 0 H VAL B 13 9.798 7.236 6.931 1.00 0.00 H new ATOM 0 HA VAL B 13 12.167 8.542 5.860 1.00 0.00 H new ATOM 0 HB VAL B 13 11.911 7.639 3.632 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.513 5.272 4.008 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.332 6.353 5.161 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.926 5.395 5.683 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.299 5.853 3.105 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.616 5.993 4.742 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.485 7.355 3.604 1.00 0.00 H new TER 1755 VAL B 13