USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1346 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 42 SER OG : rot -165:sc= 1.04 USER MOD Set 1.2: B 46 LYS NZ :NH3+ 169:sc= 1.17 (180deg=-0.126) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 10 LYS NZ :NH3+ -112:sc= -0.0642 (180deg=-2.74!) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 75:sc= 1.25 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.0827 (180deg=-0.515) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= 1.12 (180deg=0.133!) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.72) USER MOD Single : A 37 SER OG : rot 74:sc= 0.663 USER MOD Single : A 39 ASN : amide:sc= 0.763 K(o=0.76,f=-1.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.21) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.274 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.692 K(o=0.69,f=-0.44) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= 0.0506 (180deg=-1.38) USER MOD Single : A 62 TYR OH : rot 165:sc= 0 USER MOD Single : A 63 THR OG1 : rot 92:sc= 1.41 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= 1.26 (180deg=1.11) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 69:sc= 1.17 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= -0.0378 (180deg=-0.255) USER MOD Single : A 84 THR OG1 : rot 72:sc= 1.3 USER MOD Single : A 86 SER OG : rot 3:sc= 0.275 USER MOD Single : B 10 LYS NZ :NH3+ 160:sc= 1.1 (180deg=-0.0883!) USER MOD Single : B 15 LYS NZ :NH3+ -156:sc= 1.18 (180deg=1.05) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc=2.78e-05 USER MOD Single : B 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0161) USER MOD Single : B 26 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.05) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 72:sc= 0.146 USER MOD Single : B 39 ASN : amide:sc= 1.14 K(o=1.1,f=-0.96) USER MOD Single : B 44 LYS NZ :NH3+ 174:sc= 2.08 (180deg=2.03) USER MOD Single : B 47 THR OG1 : rot 77:sc= 0.0097 USER MOD Single : B 50 GLN : amide:sc= -0.996 K(o=-1,f=-0.0044) USER MOD Single : B 54 LYS NZ :NH3+ 170:sc=-0.00251 (180deg=-0.0849) USER MOD Single : B 56 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 57 LYS NZ :NH3+ 158:sc= 1.14 (180deg=1.01) USER MOD Single : B 62 TYR OH : rot 110:sc= 0.915 USER MOD Single : B 63 THR OG1 : rot 63:sc= 1.21 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ 148:sc= 0.902 (180deg=0.375) USER MOD Single : B 71 TYR OH : rot 180:sc= -0.0206 USER MOD Single : B 73 SER OG : rot 74:sc= 0.651 USER MOD Single : B 76 SER OG : rot 180:sc=0.000151 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 164:sc= -0.0571 (180deg=-0.297) USER MOD Single : B 84 THR OG1 : rot 180:sc= 0 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -19.928 15.802 -8.449 1.00 1.91 N ATOM 78 CA GLN A 6 -19.448 14.447 -8.681 1.00 1.87 C ATOM 79 C GLN A 6 -18.275 14.412 -9.654 1.00 1.83 C ATOM 80 O GLN A 6 -17.358 13.619 -9.484 1.00 1.77 O ATOM 81 CB GLN A 6 -20.581 13.559 -9.197 1.00 1.89 C ATOM 82 CG GLN A 6 -20.343 12.078 -8.956 1.00 1.95 C ATOM 83 CD GLN A 6 -21.480 11.208 -9.456 1.00 1.96 C ATOM 84 OE1 GLN A 6 -21.483 10.758 -10.601 1.00 2.22 O ATOM 85 NE2 GLN A 6 -22.454 10.962 -8.597 1.00 2.13 N ATOM 0 HA GLN A 6 -19.095 14.064 -7.724 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -21.513 13.853 -8.714 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -20.709 13.730 -10.266 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -19.419 11.779 -9.450 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -20.204 11.907 -7.889 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -22.415 11.354 -7.656 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -23.245 10.381 -8.875 1.00 2.13 H new ATOM 94 N THR A 7 -18.298 15.273 -10.662 1.00 1.86 N ATOM 95 CA THR A 7 -17.231 15.309 -11.651 1.00 1.83 C ATOM 96 C THR A 7 -15.926 15.817 -11.043 1.00 1.79 C ATOM 97 O THR A 7 -14.870 15.202 -11.203 1.00 1.71 O ATOM 98 CB THR A 7 -17.619 16.204 -12.840 1.00 1.88 C ATOM 99 OG1 THR A 7 -18.348 17.342 -12.364 1.00 2.15 O ATOM 100 CG2 THR A 7 -18.466 15.439 -13.847 1.00 1.95 C ATOM 0 H THR A 7 -19.042 15.954 -10.816 1.00 1.86 H new ATOM 0 HA THR A 7 -17.081 14.288 -12.001 1.00 1.83 H new ATOM 0 HB THR A 7 -16.706 16.530 -13.338 1.00 1.88 H new ATOM 0 HG1 THR A 7 -18.594 17.913 -13.121 1.00 2.15 H new ATOM 0 HG21 THR A 7 -18.726 16.096 -14.677 1.00 1.95 H new ATOM 0 HG22 THR A 7 -17.902 14.585 -14.223 1.00 1.95 H new ATOM 0 HG23 THR A 7 -19.377 15.087 -13.363 1.00 1.95 H new ATOM 108 N ARG A 8 -16.009 16.934 -10.329 1.00 1.84 N ATOM 109 CA ARG A 8 -14.839 17.534 -9.699 1.00 1.82 C ATOM 110 C ARG A 8 -14.258 16.619 -8.621 1.00 1.75 C ATOM 111 O ARG A 8 -13.043 16.421 -8.559 1.00 1.69 O ATOM 112 CB ARG A 8 -15.195 18.904 -9.107 1.00 1.94 C ATOM 113 CG ARG A 8 -14.056 19.589 -8.352 1.00 2.03 C ATOM 114 CD ARG A 8 -12.741 19.537 -9.119 1.00 2.06 C ATOM 115 NE ARG A 8 -12.842 20.117 -10.459 1.00 2.06 N ATOM 116 CZ ARG A 8 -12.361 19.532 -11.560 1.00 2.08 C ATOM 117 NH1 ARG A 8 -11.732 18.362 -11.478 1.00 2.10 N ATOM 118 NH2 ARG A 8 -12.508 20.118 -12.741 1.00 2.22 N ATOM 0 H ARG A 8 -16.878 17.444 -10.172 1.00 1.84 H new ATOM 0 HA ARG A 8 -14.077 17.670 -10.466 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -15.523 19.559 -9.914 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -16.041 18.783 -8.430 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -14.322 20.629 -8.162 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -13.927 19.111 -7.381 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -11.975 20.069 -8.555 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -12.414 18.500 -9.201 1.00 2.06 H new ATOM 0 HE ARG A 8 -13.306 21.020 -10.558 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -11.615 17.908 -10.572 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -11.367 17.919 -12.321 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -12.988 21.015 -12.809 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -12.141 19.671 -13.581 1.00 2.22 H new ATOM 132 N ASN A 9 -15.124 16.047 -7.796 1.00 1.76 N ATOM 133 CA ASN A 9 -14.680 15.169 -6.716 1.00 1.72 C ATOM 134 C ASN A 9 -14.092 13.871 -7.260 1.00 1.61 C ATOM 135 O ASN A 9 -13.104 13.367 -6.731 1.00 1.56 O ATOM 136 CB ASN A 9 -15.848 14.868 -5.765 1.00 1.78 C ATOM 137 CG ASN A 9 -15.577 13.681 -4.853 1.00 1.75 C ATOM 138 OD1 ASN A 9 -15.975 12.555 -5.146 1.00 1.75 O ATOM 139 ND2 ASN A 9 -14.903 13.923 -3.739 1.00 1.84 N ATOM 0 H ASN A 9 -16.135 16.173 -7.851 1.00 1.76 H new ATOM 0 HA ASN A 9 -13.894 15.685 -6.164 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -16.051 15.749 -5.156 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -16.746 14.672 -6.351 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -14.698 13.162 -3.091 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -14.588 14.870 -3.529 1.00 1.84 H new ATOM 146 N LYS A 10 -14.684 13.350 -8.327 1.00 1.60 N ATOM 147 CA LYS A 10 -14.232 12.104 -8.932 1.00 1.52 C ATOM 148 C LYS A 10 -12.797 12.218 -9.440 1.00 1.47 C ATOM 149 O LYS A 10 -11.954 11.370 -9.137 1.00 1.41 O ATOM 150 CB LYS A 10 -15.158 11.724 -10.086 1.00 1.53 C ATOM 151 CG LYS A 10 -14.932 10.322 -10.608 1.00 1.59 C ATOM 152 CD LYS A 10 -15.316 9.275 -9.578 1.00 1.70 C ATOM 153 CE LYS A 10 -15.573 7.938 -10.237 1.00 2.07 C ATOM 154 NZ LYS A 10 -16.720 8.007 -11.181 1.00 2.48 N ATOM 0 H LYS A 10 -15.485 13.775 -8.794 1.00 1.60 H new ATOM 0 HA LYS A 10 -14.259 11.329 -8.166 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -16.193 11.817 -9.756 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -15.018 12.433 -10.902 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -15.517 10.172 -11.516 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -13.884 10.199 -10.880 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -14.519 9.175 -8.841 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -16.208 9.598 -9.041 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -14.679 7.617 -10.772 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -15.774 7.187 -9.473 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -17.511 7.445 -10.808 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -17.020 8.997 -11.291 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -16.432 7.628 -12.106 1.00 2.48 H new ATOM 168 N GLU A 11 -12.522 13.273 -10.192 1.00 1.52 N ATOM 169 CA GLU A 11 -11.188 13.497 -10.742 1.00 1.50 C ATOM 170 C GLU A 11 -10.190 13.793 -9.628 1.00 1.45 C ATOM 171 O GLU A 11 -9.026 13.395 -9.696 1.00 1.38 O ATOM 172 CB GLU A 11 -11.226 14.661 -11.734 1.00 1.58 C ATOM 173 CG GLU A 11 -9.926 14.876 -12.494 1.00 1.63 C ATOM 174 CD GLU A 11 -9.610 16.344 -12.681 1.00 1.77 C ATOM 175 OE1 GLU A 11 -10.386 17.040 -13.366 1.00 1.96 O ATOM 176 OE2 GLU A 11 -8.592 16.821 -12.138 1.00 1.90 O ATOM 0 H GLU A 11 -13.204 13.990 -10.437 1.00 1.52 H new ATOM 0 HA GLU A 11 -10.868 12.593 -11.260 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -12.028 14.486 -12.451 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -11.474 15.575 -11.195 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -9.109 14.396 -11.956 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -9.993 14.393 -13.469 1.00 1.63 H new ATOM 183 N LEU A 12 -10.666 14.478 -8.595 1.00 1.51 N ATOM 184 CA LEU A 12 -9.833 14.850 -7.463 1.00 1.50 C ATOM 185 C LEU A 12 -9.290 13.616 -6.744 1.00 1.40 C ATOM 186 O LEU A 12 -8.083 13.489 -6.547 1.00 1.33 O ATOM 187 CB LEU A 12 -10.638 15.710 -6.483 1.00 1.62 C ATOM 188 CG LEU A 12 -9.825 16.419 -5.396 1.00 1.65 C ATOM 189 CD1 LEU A 12 -8.884 17.440 -6.013 1.00 1.69 C ATOM 190 CD2 LEU A 12 -10.754 17.085 -4.386 1.00 1.82 C ATOM 0 H LEU A 12 -11.635 14.789 -8.520 1.00 1.51 H new ATOM 0 HA LEU A 12 -8.986 15.423 -7.841 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -11.183 16.463 -7.052 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -11.382 15.077 -5.999 1.00 1.62 H new ATOM 0 HG LEU A 12 -9.225 15.675 -4.873 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -8.315 17.933 -5.225 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -8.198 16.937 -6.695 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -9.463 18.183 -6.562 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -10.161 17.584 -3.620 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -11.380 17.818 -4.895 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -11.386 16.329 -3.920 1.00 1.82 H new ATOM 202 N LEU A 13 -10.179 12.699 -6.375 1.00 1.41 N ATOM 203 CA LEU A 13 -9.777 11.493 -5.663 1.00 1.35 C ATOM 204 C LEU A 13 -9.026 10.533 -6.582 1.00 1.23 C ATOM 205 O LEU A 13 -8.050 9.904 -6.167 1.00 1.18 O ATOM 206 CB LEU A 13 -11.000 10.802 -5.028 1.00 1.43 C ATOM 207 CG LEU A 13 -11.973 10.114 -5.998 1.00 1.43 C ATOM 208 CD1 LEU A 13 -11.661 8.627 -6.107 1.00 1.81 C ATOM 209 CD2 LEU A 13 -13.411 10.316 -5.539 1.00 1.76 C ATOM 0 H LEU A 13 -11.180 12.769 -6.557 1.00 1.41 H new ATOM 0 HA LEU A 13 -9.097 11.787 -4.863 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -10.641 10.057 -4.317 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -11.555 11.546 -4.457 1.00 1.43 H new ATOM 0 HG LEU A 13 -11.852 10.566 -6.982 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -12.361 8.158 -6.798 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -10.644 8.495 -6.475 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -11.755 8.163 -5.125 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -14.088 9.823 -6.236 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -13.539 9.888 -4.545 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -13.636 11.382 -5.507 1.00 1.76 H new ATOM 221 N LEU A 14 -9.460 10.437 -7.834 1.00 1.21 N ATOM 222 CA LEU A 14 -8.825 9.539 -8.791 1.00 1.13 C ATOM 223 C LEU A 14 -7.366 9.922 -9.009 1.00 1.11 C ATOM 224 O LEU A 14 -6.478 9.065 -8.982 1.00 1.04 O ATOM 225 CB LEU A 14 -9.578 9.539 -10.123 1.00 1.16 C ATOM 226 CG LEU A 14 -9.291 8.339 -11.028 1.00 1.09 C ATOM 227 CD1 LEU A 14 -9.771 7.045 -10.378 1.00 1.11 C ATOM 228 CD2 LEU A 14 -9.948 8.529 -12.385 1.00 1.23 C ATOM 0 H LEU A 14 -10.246 10.968 -8.209 1.00 1.21 H new ATOM 0 HA LEU A 14 -8.859 8.532 -8.376 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -10.648 9.573 -9.918 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -9.328 10.451 -10.664 1.00 1.16 H new ATOM 0 HG LEU A 14 -8.213 8.269 -11.172 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -9.557 6.205 -11.039 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -9.254 6.901 -9.429 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -10.845 7.103 -10.201 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -9.734 7.667 -13.017 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -11.026 8.627 -12.257 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -9.556 9.430 -12.856 1.00 1.23 H new ATOM 240 N LYS A 15 -7.115 11.215 -9.200 1.00 1.19 N ATOM 241 CA LYS A 15 -5.756 11.700 -9.408 1.00 1.19 C ATOM 242 C LYS A 15 -4.941 11.578 -8.125 1.00 1.14 C ATOM 243 O LYS A 15 -3.726 11.376 -8.165 1.00 1.09 O ATOM 244 CB LYS A 15 -5.763 13.145 -9.911 1.00 1.32 C ATOM 245 CG LYS A 15 -5.724 13.249 -11.426 1.00 1.56 C ATOM 246 CD LYS A 15 -6.280 14.576 -11.908 1.00 1.68 C ATOM 247 CE LYS A 15 -5.387 15.742 -11.521 1.00 1.70 C ATOM 248 NZ LYS A 15 -5.869 17.018 -12.109 1.00 1.93 N ATOM 0 H LYS A 15 -7.831 11.941 -9.215 1.00 1.19 H new ATOM 0 HA LYS A 15 -5.287 11.080 -10.172 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -6.657 13.648 -9.541 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -4.905 13.673 -9.494 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -4.697 13.136 -11.773 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -6.299 12.432 -11.863 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -6.392 14.550 -12.992 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -7.275 14.726 -11.488 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -5.354 15.831 -10.435 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -4.368 15.548 -11.856 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -5.298 17.806 -11.743 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -5.782 16.978 -13.145 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -6.866 17.164 -11.851 1.00 1.93 H new ATOM 262 N LYS A 16 -5.616 11.693 -6.987 1.00 1.17 N ATOM 263 CA LYS A 16 -4.956 11.575 -5.692 1.00 1.16 C ATOM 264 C LYS A 16 -4.469 10.143 -5.469 1.00 1.04 C ATOM 265 O LYS A 16 -3.343 9.921 -5.021 1.00 1.05 O ATOM 266 CB LYS A 16 -5.904 11.990 -4.560 1.00 1.26 C ATOM 267 CG LYS A 16 -5.771 13.450 -4.148 1.00 1.32 C ATOM 268 CD LYS A 16 -4.653 13.654 -3.130 1.00 1.30 C ATOM 269 CE LYS A 16 -5.033 13.092 -1.766 1.00 1.50 C ATOM 270 NZ LYS A 16 -4.019 13.401 -0.725 1.00 1.62 N ATOM 0 H LYS A 16 -6.620 11.868 -6.935 1.00 1.17 H new ATOM 0 HA LYS A 16 -4.096 12.244 -5.687 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -6.931 11.803 -4.873 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -5.715 11.359 -3.692 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -5.575 14.060 -5.030 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -6.714 13.795 -3.725 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -3.743 13.169 -3.484 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -4.432 14.717 -3.038 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -5.997 13.501 -1.463 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -5.154 12.011 -1.842 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -4.322 12.998 0.185 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -3.104 12.989 -0.999 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -3.921 14.432 -0.632 1.00 1.62 H new ATOM 284 N ILE A 17 -5.315 9.174 -5.800 1.00 0.96 N ATOM 285 CA ILE A 17 -4.972 7.765 -5.627 1.00 0.88 C ATOM 286 C ILE A 17 -3.933 7.321 -6.655 1.00 0.85 C ATOM 287 O ILE A 17 -3.079 6.487 -6.360 1.00 0.83 O ATOM 288 CB ILE A 17 -6.222 6.856 -5.707 1.00 0.85 C ATOM 289 CG1 ILE A 17 -7.252 7.289 -4.658 1.00 1.01 C ATOM 290 CG2 ILE A 17 -5.838 5.396 -5.499 1.00 0.89 C ATOM 291 CD1 ILE A 17 -8.586 6.585 -4.779 1.00 1.02 C ATOM 0 H ILE A 17 -6.243 9.337 -6.190 1.00 0.96 H new ATOM 0 HA ILE A 17 -4.543 7.662 -4.630 1.00 0.88 H new ATOM 0 HB ILE A 17 -6.663 6.956 -6.699 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -6.844 7.104 -3.665 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -7.411 8.364 -4.742 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -6.730 4.773 -5.559 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -5.131 5.092 -6.271 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -5.378 5.277 -4.518 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -9.260 6.946 -4.002 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -9.018 6.791 -5.758 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -8.442 5.511 -4.664 1.00 1.02 H new ATOM 303 N ASP A 18 -3.994 7.884 -7.857 1.00 0.90 N ATOM 304 CA ASP A 18 -3.023 7.539 -8.898 1.00 0.93 C ATOM 305 C ASP A 18 -1.626 7.962 -8.458 1.00 0.93 C ATOM 306 O ASP A 18 -0.644 7.251 -8.675 1.00 0.93 O ATOM 307 CB ASP A 18 -3.376 8.222 -10.219 1.00 1.04 C ATOM 308 CG ASP A 18 -2.438 7.820 -11.345 1.00 1.20 C ATOM 309 OD1 ASP A 18 -2.558 6.683 -11.851 1.00 1.66 O ATOM 310 OD2 ASP A 18 -1.571 8.632 -11.728 1.00 1.62 O ATOM 0 H ASP A 18 -4.694 8.572 -8.136 1.00 0.90 H new ATOM 0 HA ASP A 18 -3.048 6.460 -9.050 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -4.400 7.969 -10.494 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -3.340 9.303 -10.087 1.00 1.04 H new ATOM 315 N SER A 19 -1.559 9.126 -7.820 1.00 0.99 N ATOM 316 CA SER A 19 -0.305 9.666 -7.317 1.00 1.03 C ATOM 317 C SER A 19 0.198 8.836 -6.143 1.00 0.96 C ATOM 318 O SER A 19 1.398 8.778 -5.887 1.00 0.96 O ATOM 319 CB SER A 19 -0.488 11.119 -6.883 1.00 1.17 C ATOM 320 OG SER A 19 -1.049 11.896 -7.926 1.00 1.28 O ATOM 0 H SER A 19 -2.370 9.718 -7.639 1.00 0.99 H new ATOM 0 HA SER A 19 0.432 9.626 -8.119 1.00 1.03 H new ATOM 0 HB2 SER A 19 -1.134 11.161 -6.006 1.00 1.17 H new ATOM 0 HB3 SER A 19 0.475 11.538 -6.590 1.00 1.17 H new ATOM 0 HG SER A 19 -2.003 11.688 -8.013 1.00 1.28 H new ATOM 326 N LEU A 20 -0.739 8.230 -5.420 1.00 0.92 N ATOM 327 CA LEU A 20 -0.422 7.394 -4.266 1.00 0.90 C ATOM 328 C LEU A 20 0.565 6.294 -4.655 1.00 0.84 C ATOM 329 O LEU A 20 1.641 6.174 -4.072 1.00 0.86 O ATOM 330 CB LEU A 20 -1.723 6.786 -3.720 1.00 0.92 C ATOM 331 CG LEU A 20 -1.664 6.163 -2.326 1.00 1.01 C ATOM 332 CD1 LEU A 20 -1.919 7.221 -1.268 1.00 1.37 C ATOM 333 CD2 LEU A 20 -2.683 5.042 -2.231 1.00 1.14 C ATOM 0 H LEU A 20 -1.737 8.304 -5.617 1.00 0.92 H new ATOM 0 HA LEU A 20 0.047 8.003 -3.493 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -2.484 7.566 -3.711 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -2.059 6.021 -4.419 1.00 0.92 H new ATOM 0 HG LEU A 20 -0.671 5.749 -2.153 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -1.874 6.765 -0.279 1.00 1.37 H new ATOM 0 HD12 LEU A 20 -1.161 8.000 -1.343 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -2.905 7.659 -1.421 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -2.642 4.596 -1.237 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -3.681 5.442 -2.409 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -2.458 4.282 -2.979 1.00 1.14 H new ATOM 345 N ILE A 21 0.224 5.530 -5.683 1.00 0.80 N ATOM 346 CA ILE A 21 1.093 4.448 -6.138 1.00 0.79 C ATOM 347 C ILE A 21 2.330 4.992 -6.846 1.00 0.81 C ATOM 348 O ILE A 21 3.423 4.436 -6.731 1.00 0.83 O ATOM 349 CB ILE A 21 0.362 3.468 -7.080 1.00 0.81 C ATOM 350 CG1 ILE A 21 -1.069 3.942 -7.374 1.00 1.06 C ATOM 351 CG2 ILE A 21 0.363 2.070 -6.473 1.00 1.04 C ATOM 352 CD1 ILE A 21 -1.810 3.066 -8.360 1.00 1.23 C ATOM 0 H ILE A 21 -0.640 5.636 -6.215 1.00 0.80 H new ATOM 0 HA ILE A 21 1.396 3.905 -5.243 1.00 0.79 H new ATOM 0 HB ILE A 21 0.894 3.437 -8.031 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -1.630 3.977 -6.440 1.00 1.06 H new ATOM 0 HG13 ILE A 21 -1.032 4.960 -7.762 1.00 1.06 H new ATOM 0 HG21 ILE A 21 -0.154 1.382 -7.142 1.00 1.04 H new ATOM 0 HG22 ILE A 21 1.391 1.735 -6.332 1.00 1.04 H new ATOM 0 HG23 ILE A 21 -0.147 2.091 -5.510 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -2.813 3.463 -8.518 1.00 1.23 H new ATOM 0 HD12 ILE A 21 -1.273 3.050 -9.308 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -1.879 2.052 -7.966 1.00 1.23 H new ATOM 364 N GLU A 22 2.144 6.090 -7.568 1.00 0.84 N ATOM 365 CA GLU A 22 3.227 6.731 -8.310 1.00 0.90 C ATOM 366 C GLU A 22 4.346 7.177 -7.369 1.00 0.90 C ATOM 367 O GLU A 22 5.532 7.012 -7.669 1.00 0.93 O ATOM 368 CB GLU A 22 2.673 7.935 -9.074 1.00 0.98 C ATOM 369 CG GLU A 22 3.236 8.086 -10.476 1.00 1.29 C ATOM 370 CD GLU A 22 4.191 9.256 -10.605 1.00 1.78 C ATOM 371 OE1 GLU A 22 3.790 10.397 -10.288 1.00 2.29 O ATOM 372 OE2 GLU A 22 5.337 9.039 -11.047 1.00 2.22 O ATOM 0 H GLU A 22 1.244 6.561 -7.657 1.00 0.84 H new ATOM 0 HA GLU A 22 3.645 6.010 -9.013 1.00 0.90 H new ATOM 0 HB2 GLU A 22 1.588 7.846 -9.136 1.00 0.98 H new ATOM 0 HB3 GLU A 22 2.886 8.842 -8.508 1.00 0.98 H new ATOM 0 HG2 GLU A 22 3.754 7.168 -10.755 1.00 1.29 H new ATOM 0 HG3 GLU A 22 2.414 8.215 -11.180 1.00 1.29 H new ATOM 379 N ALA A 23 3.950 7.727 -6.226 1.00 0.89 N ATOM 380 CA ALA A 23 4.895 8.206 -5.227 1.00 0.92 C ATOM 381 C ALA A 23 5.691 7.057 -4.631 1.00 0.88 C ATOM 382 O ALA A 23 6.918 7.128 -4.545 1.00 0.89 O ATOM 383 CB ALA A 23 4.160 8.960 -4.130 1.00 0.94 C ATOM 0 H ALA A 23 2.971 7.852 -5.968 1.00 0.89 H new ATOM 0 HA ALA A 23 5.594 8.883 -5.718 1.00 0.92 H new ATOM 0 HB1 ALA A 23 4.877 9.314 -3.389 1.00 0.94 H new ATOM 0 HB2 ALA A 23 3.635 9.812 -4.563 1.00 0.94 H new ATOM 0 HB3 ALA A 23 3.440 8.296 -3.651 1.00 0.94 H new ATOM 389 N ILE A 24 4.995 5.994 -4.237 1.00 0.86 N ATOM 390 CA ILE A 24 5.645 4.829 -3.643 1.00 0.85 C ATOM 391 C ILE A 24 6.637 4.210 -4.624 1.00 0.83 C ATOM 392 O ILE A 24 7.705 3.734 -4.231 1.00 0.83 O ATOM 393 CB ILE A 24 4.610 3.768 -3.209 1.00 0.87 C ATOM 394 CG1 ILE A 24 3.563 4.408 -2.290 1.00 1.12 C ATOM 395 CG2 ILE A 24 5.297 2.602 -2.507 1.00 1.03 C ATOM 396 CD1 ILE A 24 2.385 3.511 -1.966 1.00 1.05 C ATOM 0 H ILE A 24 3.981 5.915 -4.318 1.00 0.86 H new ATOM 0 HA ILE A 24 6.181 5.169 -2.757 1.00 0.85 H new ATOM 0 HB ILE A 24 4.111 3.381 -4.097 1.00 0.87 H new ATOM 0 HG12 ILE A 24 4.046 4.704 -1.359 1.00 1.12 H new ATOM 0 HG13 ILE A 24 3.192 5.319 -2.760 1.00 1.12 H new ATOM 0 HG21 ILE A 24 4.550 1.866 -2.209 1.00 1.03 H new ATOM 0 HG22 ILE A 24 6.013 2.139 -3.186 1.00 1.03 H new ATOM 0 HG23 ILE A 24 5.820 2.967 -1.623 1.00 1.03 H new ATOM 0 HD11 ILE A 24 1.693 4.041 -1.312 1.00 1.05 H new ATOM 0 HD12 ILE A 24 1.873 3.235 -2.888 1.00 1.05 H new ATOM 0 HD13 ILE A 24 2.740 2.611 -1.465 1.00 1.05 H new ATOM 408 N LYS A 25 6.275 4.237 -5.902 1.00 0.83 N ATOM 409 CA LYS A 25 7.128 3.711 -6.954 1.00 0.84 C ATOM 410 C LYS A 25 8.440 4.493 -6.998 1.00 0.86 C ATOM 411 O LYS A 25 9.508 3.930 -7.232 1.00 0.86 O ATOM 412 CB LYS A 25 6.410 3.791 -8.306 1.00 0.88 C ATOM 413 CG LYS A 25 7.224 3.257 -9.472 1.00 0.96 C ATOM 414 CD LYS A 25 7.284 1.740 -9.470 1.00 1.13 C ATOM 415 CE LYS A 25 7.766 1.206 -10.809 1.00 1.39 C ATOM 416 NZ LYS A 25 6.817 1.524 -11.910 1.00 1.61 N ATOM 0 H LYS A 25 5.390 4.621 -6.233 1.00 0.83 H new ATOM 0 HA LYS A 25 7.350 2.665 -6.743 1.00 0.84 H new ATOM 0 HB2 LYS A 25 5.476 3.233 -8.243 1.00 0.88 H new ATOM 0 HB3 LYS A 25 6.148 4.830 -8.505 1.00 0.88 H new ATOM 0 HG2 LYS A 25 6.787 3.602 -10.409 1.00 0.96 H new ATOM 0 HG3 LYS A 25 8.235 3.661 -9.424 1.00 0.96 H new ATOM 0 HD2 LYS A 25 7.953 1.401 -8.679 1.00 1.13 H new ATOM 0 HD3 LYS A 25 6.297 1.335 -9.248 1.00 1.13 H new ATOM 0 HE2 LYS A 25 8.743 1.631 -11.038 1.00 1.39 H new ATOM 0 HE3 LYS A 25 7.896 0.126 -10.743 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 6.963 0.860 -12.697 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 5.841 1.439 -11.562 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 6.983 2.496 -12.242 1.00 1.61 H new ATOM 430 N LYS A 26 8.344 5.792 -6.742 1.00 0.87 N ATOM 431 CA LYS A 26 9.511 6.657 -6.736 1.00 0.91 C ATOM 432 C LYS A 26 10.354 6.403 -5.490 1.00 0.90 C ATOM 433 O LYS A 26 11.579 6.415 -5.552 1.00 0.91 O ATOM 434 CB LYS A 26 9.079 8.127 -6.793 1.00 0.97 C ATOM 435 CG LYS A 26 9.815 8.943 -7.847 1.00 1.07 C ATOM 436 CD LYS A 26 11.221 9.304 -7.399 1.00 1.21 C ATOM 437 CE LYS A 26 12.242 9.029 -8.494 1.00 1.35 C ATOM 438 NZ LYS A 26 13.416 9.938 -8.408 1.00 1.42 N ATOM 0 H LYS A 26 7.466 6.268 -6.536 1.00 0.87 H new ATOM 0 HA LYS A 26 10.115 6.434 -7.615 1.00 0.91 H new ATOM 0 HB2 LYS A 26 8.008 8.174 -6.993 1.00 0.97 H new ATOM 0 HB3 LYS A 26 9.241 8.582 -5.816 1.00 0.97 H new ATOM 0 HG2 LYS A 26 9.864 8.376 -8.777 1.00 1.07 H new ATOM 0 HG3 LYS A 26 9.255 9.854 -8.058 1.00 1.07 H new ATOM 0 HD2 LYS A 26 11.257 10.358 -7.123 1.00 1.21 H new ATOM 0 HD3 LYS A 26 11.478 8.732 -6.508 1.00 1.21 H new ATOM 0 HE2 LYS A 26 12.579 7.995 -8.423 1.00 1.35 H new ATOM 0 HE3 LYS A 26 11.767 9.143 -9.468 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 14.271 9.430 -8.711 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 13.264 10.760 -9.026 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 13.535 10.260 -7.426 1.00 1.42 H new ATOM 452 N ILE A 27 9.687 6.165 -4.363 1.00 0.88 N ATOM 453 CA ILE A 27 10.367 5.905 -3.092 1.00 0.89 C ATOM 454 C ILE A 27 11.349 4.734 -3.218 1.00 0.87 C ATOM 455 O ILE A 27 12.533 4.854 -2.898 1.00 0.90 O ATOM 456 CB ILE A 27 9.357 5.566 -1.969 1.00 0.90 C ATOM 457 CG1 ILE A 27 8.286 6.659 -1.825 1.00 0.90 C ATOM 458 CG2 ILE A 27 10.079 5.350 -0.646 1.00 0.93 C ATOM 459 CD1 ILE A 27 8.741 7.891 -1.071 1.00 1.31 C ATOM 0 H ILE A 27 8.669 6.146 -4.302 1.00 0.88 H new ATOM 0 HA ILE A 27 10.907 6.817 -2.838 1.00 0.89 H new ATOM 0 HB ILE A 27 8.852 4.641 -2.247 1.00 0.90 H new ATOM 0 HG12 ILE A 27 7.956 6.959 -2.819 1.00 0.90 H new ATOM 0 HG13 ILE A 27 7.420 6.236 -1.315 1.00 0.90 H new ATOM 0 HG21 ILE A 27 9.352 5.113 0.131 1.00 0.93 H new ATOM 0 HG22 ILE A 27 10.784 4.525 -0.747 1.00 0.93 H new ATOM 0 HG23 ILE A 27 10.618 6.257 -0.373 1.00 0.93 H new ATOM 0 HD11 ILE A 27 7.922 8.608 -1.018 1.00 1.31 H new ATOM 0 HD12 ILE A 27 9.043 7.609 -0.062 1.00 1.31 H new ATOM 0 HD13 ILE A 27 9.586 8.343 -1.590 1.00 1.31 H new ATOM 471 N ILE A 28 10.834 3.603 -3.690 1.00 0.83 N ATOM 472 CA ILE A 28 11.632 2.390 -3.856 1.00 0.82 C ATOM 473 C ILE A 28 12.737 2.578 -4.897 1.00 0.83 C ATOM 474 O ILE A 28 13.821 2.004 -4.774 1.00 0.84 O ATOM 475 CB ILE A 28 10.743 1.172 -4.211 1.00 0.82 C ATOM 476 CG1 ILE A 28 11.525 -0.130 -4.009 1.00 0.88 C ATOM 477 CG2 ILE A 28 10.202 1.271 -5.632 1.00 0.88 C ATOM 478 CD1 ILE A 28 10.659 -1.375 -3.985 1.00 1.05 C ATOM 0 H ILE A 28 9.858 3.500 -3.967 1.00 0.83 H new ATOM 0 HA ILE A 28 12.111 2.189 -2.898 1.00 0.82 H new ATOM 0 HB ILE A 28 9.885 1.170 -3.539 1.00 0.82 H new ATOM 0 HG12 ILE A 28 12.260 -0.227 -4.808 1.00 0.88 H new ATOM 0 HG13 ILE A 28 12.078 -0.067 -3.072 1.00 0.88 H new ATOM 0 HG21 ILE A 28 9.583 0.400 -5.847 1.00 0.88 H new ATOM 0 HG22 ILE A 28 9.602 2.176 -5.731 1.00 0.88 H new ATOM 0 HG23 ILE A 28 11.033 1.308 -6.336 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.288 -2.253 -3.838 1.00 1.05 H new ATOM 0 HD12 ILE A 28 9.940 -1.303 -3.169 1.00 1.05 H new ATOM 0 HD13 ILE A 28 10.125 -1.465 -4.931 1.00 1.05 H new ATOM 490 N ALA A 29 12.459 3.391 -5.911 1.00 0.84 N ATOM 491 CA ALA A 29 13.421 3.652 -6.974 1.00 0.87 C ATOM 492 C ALA A 29 14.644 4.386 -6.434 1.00 0.90 C ATOM 493 O ALA A 29 15.763 4.171 -6.897 1.00 0.93 O ATOM 494 CB ALA A 29 12.770 4.453 -8.090 1.00 0.90 C ATOM 0 H ALA A 29 11.571 3.882 -6.018 1.00 0.84 H new ATOM 0 HA ALA A 29 13.752 2.695 -7.377 1.00 0.87 H new ATOM 0 HB1 ALA A 29 13.500 4.641 -8.877 1.00 0.90 H new ATOM 0 HB2 ALA A 29 11.931 3.891 -8.500 1.00 0.90 H new ATOM 0 HB3 ALA A 29 12.411 5.403 -7.694 1.00 0.90 H new ATOM 500 N GLU A 30 14.427 5.253 -5.450 1.00 0.93 N ATOM 501 CA GLU A 30 15.519 6.007 -4.850 1.00 0.99 C ATOM 502 C GLU A 30 16.422 5.083 -4.043 1.00 0.99 C ATOM 503 O GLU A 30 17.646 5.238 -4.036 1.00 1.01 O ATOM 504 CB GLU A 30 14.973 7.118 -3.948 1.00 1.06 C ATOM 505 CG GLU A 30 14.118 8.148 -4.673 1.00 1.10 C ATOM 506 CD GLU A 30 14.906 9.003 -5.649 1.00 1.18 C ATOM 507 OE1 GLU A 30 15.984 8.573 -6.104 1.00 1.25 O ATOM 508 OE2 GLU A 30 14.434 10.106 -5.987 1.00 1.46 O ATOM 0 H GLU A 30 13.508 5.450 -5.053 1.00 0.93 H new ATOM 0 HA GLU A 30 16.102 6.460 -5.652 1.00 0.99 H new ATOM 0 HB2 GLU A 30 14.381 6.666 -3.152 1.00 1.06 H new ATOM 0 HB3 GLU A 30 15.810 7.628 -3.472 1.00 1.06 H new ATOM 0 HG2 GLU A 30 13.322 7.634 -5.212 1.00 1.10 H new ATOM 0 HG3 GLU A 30 13.640 8.795 -3.938 1.00 1.10 H new ATOM 515 N PHE A 31 15.807 4.109 -3.382 1.00 0.97 N ATOM 516 CA PHE A 31 16.537 3.154 -2.558 1.00 1.00 C ATOM 517 C PHE A 31 17.550 2.363 -3.374 1.00 0.97 C ATOM 518 O PHE A 31 18.687 2.185 -2.940 1.00 1.00 O ATOM 519 CB PHE A 31 15.577 2.199 -1.844 1.00 1.02 C ATOM 520 CG PHE A 31 15.015 2.767 -0.573 1.00 1.10 C ATOM 521 CD1 PHE A 31 15.858 3.188 0.444 1.00 1.79 C ATOM 522 CD2 PHE A 31 13.648 2.876 -0.394 1.00 1.42 C ATOM 523 CE1 PHE A 31 15.347 3.709 1.616 1.00 1.98 C ATOM 524 CE2 PHE A 31 13.130 3.397 0.775 1.00 1.58 C ATOM 525 CZ PHE A 31 13.980 3.814 1.782 1.00 1.54 C ATOM 0 H PHE A 31 14.798 3.960 -3.402 1.00 0.97 H new ATOM 0 HA PHE A 31 17.082 3.729 -1.810 1.00 1.00 H new ATOM 0 HB2 PHE A 31 14.757 1.949 -2.517 1.00 1.02 H new ATOM 0 HB3 PHE A 31 16.100 1.269 -1.619 1.00 1.02 H new ATOM 0 HD1 PHE A 31 16.928 3.107 0.318 1.00 1.79 H new ATOM 0 HD2 PHE A 31 12.979 2.550 -1.177 1.00 1.42 H new ATOM 0 HE1 PHE A 31 16.014 4.033 2.401 1.00 1.98 H new ATOM 0 HE2 PHE A 31 12.061 3.479 0.903 1.00 1.58 H new ATOM 0 HZ PHE A 31 13.576 4.221 2.697 1.00 1.54 H new ATOM 535 N ASP A 32 17.152 1.900 -4.553 1.00 0.93 N ATOM 536 CA ASP A 32 18.064 1.127 -5.390 1.00 0.92 C ATOM 537 C ASP A 32 19.174 2.017 -5.949 1.00 0.92 C ATOM 538 O ASP A 32 20.291 1.550 -6.188 1.00 0.93 O ATOM 539 CB ASP A 32 17.324 0.365 -6.509 1.00 0.94 C ATOM 540 CG ASP A 32 16.900 1.213 -7.701 1.00 1.15 C ATOM 541 OD1 ASP A 32 17.776 1.655 -8.479 1.00 1.54 O ATOM 542 OD2 ASP A 32 15.682 1.398 -7.892 1.00 1.45 O ATOM 0 H ASP A 32 16.222 2.042 -4.947 1.00 0.93 H new ATOM 0 HA ASP A 32 18.527 0.370 -4.757 1.00 0.92 H new ATOM 0 HB2 ASP A 32 17.968 -0.439 -6.866 1.00 0.94 H new ATOM 0 HB3 ASP A 32 16.437 -0.103 -6.082 1.00 0.94 H new ATOM 547 N VAL A 33 18.877 3.300 -6.145 1.00 0.93 N ATOM 548 CA VAL A 33 19.872 4.239 -6.657 1.00 0.95 C ATOM 549 C VAL A 33 20.950 4.508 -5.607 1.00 0.96 C ATOM 550 O VAL A 33 22.144 4.349 -5.870 1.00 0.97 O ATOM 551 CB VAL A 33 19.229 5.579 -7.099 1.00 0.99 C ATOM 552 CG1 VAL A 33 20.293 6.632 -7.384 1.00 1.06 C ATOM 553 CG2 VAL A 33 18.348 5.372 -8.322 1.00 0.98 C ATOM 0 H VAL A 33 17.962 3.711 -5.959 1.00 0.93 H new ATOM 0 HA VAL A 33 20.327 3.776 -7.533 1.00 0.95 H new ATOM 0 HB VAL A 33 18.608 5.939 -6.278 1.00 0.99 H new ATOM 0 HG11 VAL A 33 19.813 7.561 -7.692 1.00 1.06 H new ATOM 0 HG12 VAL A 33 20.881 6.809 -6.483 1.00 1.06 H new ATOM 0 HG13 VAL A 33 20.948 6.281 -8.181 1.00 1.06 H new ATOM 0 HG21 VAL A 33 17.906 6.324 -8.617 1.00 0.98 H new ATOM 0 HG22 VAL A 33 18.950 4.982 -9.142 1.00 0.98 H new ATOM 0 HG23 VAL A 33 17.556 4.662 -8.084 1.00 0.98 H new ATOM 563 N VAL A 34 20.513 4.896 -4.413 1.00 0.98 N ATOM 564 CA VAL A 34 21.421 5.194 -3.308 1.00 1.02 C ATOM 565 C VAL A 34 22.282 3.983 -2.944 1.00 1.02 C ATOM 566 O VAL A 34 23.491 4.110 -2.736 1.00 1.04 O ATOM 567 CB VAL A 34 20.640 5.670 -2.059 1.00 1.07 C ATOM 568 CG1 VAL A 34 21.580 5.885 -0.879 1.00 1.14 C ATOM 569 CG2 VAL A 34 19.875 6.951 -2.361 1.00 1.08 C ATOM 0 H VAL A 34 19.526 5.013 -4.184 1.00 0.98 H new ATOM 0 HA VAL A 34 22.078 5.996 -3.644 1.00 1.02 H new ATOM 0 HB VAL A 34 19.926 4.891 -1.793 1.00 1.07 H new ATOM 0 HG11 VAL A 34 21.007 6.219 -0.014 1.00 1.14 H new ATOM 0 HG12 VAL A 34 22.085 4.949 -0.641 1.00 1.14 H new ATOM 0 HG13 VAL A 34 22.321 6.641 -1.137 1.00 1.14 H new ATOM 0 HG21 VAL A 34 19.333 7.269 -1.471 1.00 1.08 H new ATOM 0 HG22 VAL A 34 20.575 7.732 -2.658 1.00 1.08 H new ATOM 0 HG23 VAL A 34 19.168 6.770 -3.171 1.00 1.08 H new ATOM 579 N LYS A 35 21.656 2.814 -2.889 1.00 1.00 N ATOM 580 CA LYS A 35 22.351 1.578 -2.547 1.00 1.02 C ATOM 581 C LYS A 35 23.515 1.313 -3.505 1.00 1.01 C ATOM 582 O LYS A 35 24.616 0.958 -3.085 1.00 1.04 O ATOM 583 CB LYS A 35 21.368 0.402 -2.574 1.00 1.02 C ATOM 584 CG LYS A 35 22.016 -0.952 -2.340 1.00 1.06 C ATOM 585 CD LYS A 35 21.834 -1.865 -3.540 1.00 1.23 C ATOM 586 CE LYS A 35 22.636 -3.144 -3.390 1.00 1.45 C ATOM 587 NZ LYS A 35 22.774 -3.865 -4.680 1.00 1.92 N ATOM 0 H LYS A 35 20.661 2.695 -3.078 1.00 1.00 H new ATOM 0 HA LYS A 35 22.760 1.684 -1.542 1.00 1.02 H new ATOM 0 HB2 LYS A 35 20.604 0.563 -1.814 1.00 1.02 H new ATOM 0 HB3 LYS A 35 20.860 0.388 -3.539 1.00 1.02 H new ATOM 0 HG2 LYS A 35 23.079 -0.819 -2.139 1.00 1.06 H new ATOM 0 HG3 LYS A 35 21.581 -1.418 -1.456 1.00 1.06 H new ATOM 0 HD2 LYS A 35 20.778 -2.108 -3.657 1.00 1.23 H new ATOM 0 HD3 LYS A 35 22.144 -1.344 -4.446 1.00 1.23 H new ATOM 0 HE2 LYS A 35 23.625 -2.908 -2.998 1.00 1.45 H new ATOM 0 HE3 LYS A 35 22.151 -3.793 -2.661 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 23.637 -4.445 -4.663 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 21.947 -4.479 -4.825 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 22.835 -3.177 -5.457 1.00 1.92 H new ATOM 601 N GLU A 36 23.273 1.496 -4.793 1.00 0.99 N ATOM 602 CA GLU A 36 24.307 1.264 -5.787 1.00 1.00 C ATOM 603 C GLU A 36 25.364 2.367 -5.761 1.00 0.99 C ATOM 604 O GLU A 36 26.548 2.109 -5.995 1.00 1.01 O ATOM 605 CB GLU A 36 23.687 1.147 -7.176 1.00 1.03 C ATOM 606 CG GLU A 36 23.993 -0.177 -7.860 1.00 1.31 C ATOM 607 CD GLU A 36 23.973 -1.351 -6.898 1.00 1.41 C ATOM 608 OE1 GLU A 36 22.894 -1.953 -6.709 1.00 1.71 O ATOM 609 OE2 GLU A 36 25.036 -1.683 -6.332 1.00 1.44 O ATOM 0 H GLU A 36 22.377 1.802 -5.172 1.00 0.99 H new ATOM 0 HA GLU A 36 24.804 0.325 -5.543 1.00 1.00 H new ATOM 0 HB2 GLU A 36 22.606 1.266 -7.096 1.00 1.03 H new ATOM 0 HB3 GLU A 36 24.052 1.963 -7.799 1.00 1.03 H new ATOM 0 HG2 GLU A 36 23.264 -0.349 -8.652 1.00 1.31 H new ATOM 0 HG3 GLU A 36 24.972 -0.118 -8.335 1.00 1.31 H new ATOM 616 N SER A 37 24.950 3.576 -5.445 1.00 0.00 N ATOM 617 CA SER A 37 25.843 4.731 -5.404 1.00 0.00 C ATOM 618 C SER A 37 26.891 4.566 -4.328 1.00 0.00 C ATOM 619 O SER A 37 28.075 4.859 -4.554 1.00 0.00 O ATOM 620 CB SER A 37 25.040 6.043 -5.220 1.00 0.00 C ATOM 621 OG SER A 37 24.202 6.344 -6.341 1.00 0.00 O ATOM 0 H SER A 37 23.982 3.794 -5.207 1.00 0.00 H new ATOM 0 HA SER A 37 26.363 4.794 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 37 24.425 5.964 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 37 25.734 6.868 -5.059 1.00 0.00 H new ATOM 0 HG SER A 37 23.428 5.742 -6.342 1.00 0.00 H new ATOM 627 N VAL A 38 26.494 4.136 -3.133 1.00 1.03 N ATOM 628 CA VAL A 38 27.440 3.960 -2.032 1.00 1.06 C ATOM 629 C VAL A 38 28.448 2.859 -2.349 1.00 1.07 C ATOM 630 O VAL A 38 29.584 2.894 -1.874 1.00 1.09 O ATOM 631 CB VAL A 38 26.741 3.662 -0.685 1.00 1.10 C ATOM 632 CG1 VAL A 38 25.884 4.841 -0.259 1.00 1.12 C ATOM 633 CG2 VAL A 38 25.905 2.401 -0.755 1.00 1.10 C ATOM 0 H VAL A 38 25.528 3.904 -2.902 1.00 1.03 H new ATOM 0 HA VAL A 38 27.964 4.910 -1.925 1.00 1.06 H new ATOM 0 HB VAL A 38 27.519 3.502 0.061 1.00 1.10 H new ATOM 0 HG11 VAL A 38 25.399 4.614 0.691 1.00 1.12 H new ATOM 0 HG12 VAL A 38 26.512 5.725 -0.144 1.00 1.12 H new ATOM 0 HG13 VAL A 38 25.125 5.032 -1.017 1.00 1.12 H new ATOM 0 HG21 VAL A 38 25.430 2.225 0.210 1.00 1.10 H new ATOM 0 HG22 VAL A 38 25.138 2.515 -1.521 1.00 1.10 H new ATOM 0 HG23 VAL A 38 26.544 1.554 -1.004 1.00 1.10 H new ATOM 643 N ASN A 39 28.033 1.892 -3.165 1.00 1.05 N ATOM 644 CA ASN A 39 28.918 0.797 -3.555 1.00 1.08 C ATOM 645 C ASN A 39 30.043 1.342 -4.420 1.00 1.07 C ATOM 646 O ASN A 39 31.220 1.072 -4.179 1.00 1.10 O ATOM 647 CB ASN A 39 28.150 -0.286 -4.320 1.00 1.10 C ATOM 648 CG ASN A 39 27.524 -1.320 -3.408 1.00 1.41 C ATOM 649 OD1 ASN A 39 27.991 -1.543 -2.292 1.00 1.68 O ATOM 650 ND2 ASN A 39 26.463 -1.959 -3.879 1.00 1.72 N ATOM 0 H ASN A 39 27.096 1.844 -3.566 1.00 1.05 H new ATOM 0 HA ASN A 39 29.331 0.345 -2.653 1.00 1.08 H new ATOM 0 HB2 ASN A 39 27.369 0.183 -4.918 1.00 1.10 H new ATOM 0 HB3 ASN A 39 28.828 -0.783 -5.014 1.00 1.10 H new ATOM 0 HD21 ASN A 39 26.000 -2.668 -3.310 1.00 1.72 H new ATOM 0 HD22 ASN A 39 26.109 -1.742 -4.811 1.00 1.72 H new ATOM 657 N GLU A 40 29.663 2.132 -5.415 1.00 1.06 N ATOM 658 CA GLU A 40 30.621 2.750 -6.329 1.00 1.08 C ATOM 659 C GLU A 40 31.558 3.683 -5.574 1.00 1.06 C ATOM 660 O GLU A 40 32.768 3.707 -5.812 1.00 1.09 O ATOM 661 CB GLU A 40 29.877 3.540 -7.406 1.00 1.11 C ATOM 662 CG GLU A 40 28.980 2.677 -8.275 1.00 1.33 C ATOM 663 CD GLU A 40 29.749 1.969 -9.369 1.00 1.77 C ATOM 664 OE1 GLU A 40 29.958 2.579 -10.438 1.00 2.13 O ATOM 665 OE2 GLU A 40 30.149 0.806 -9.172 1.00 2.31 O ATOM 0 H GLU A 40 28.689 2.363 -5.613 1.00 1.06 H new ATOM 0 HA GLU A 40 31.210 1.960 -6.795 1.00 1.08 H new ATOM 0 HB2 GLU A 40 29.274 4.312 -6.928 1.00 1.11 H new ATOM 0 HB3 GLU A 40 30.603 4.049 -8.040 1.00 1.11 H new ATOM 0 HG2 GLU A 40 28.476 1.938 -7.652 1.00 1.33 H new ATOM 0 HG3 GLU A 40 28.205 3.299 -8.723 1.00 1.33 H new ATOM 672 N LEU A 41 30.978 4.436 -4.652 1.00 1.04 N ATOM 673 CA LEU A 41 31.721 5.386 -3.844 1.00 1.05 C ATOM 674 C LEU A 41 32.779 4.672 -3.004 1.00 1.08 C ATOM 675 O LEU A 41 33.897 5.167 -2.855 1.00 1.12 O ATOM 676 CB LEU A 41 30.763 6.160 -2.935 1.00 1.04 C ATOM 677 CG LEU A 41 31.302 7.480 -2.384 1.00 1.04 C ATOM 678 CD1 LEU A 41 31.494 8.483 -3.510 1.00 1.19 C ATOM 679 CD2 LEU A 41 30.361 8.037 -1.324 1.00 1.07 C ATOM 0 H LEU A 41 29.980 4.405 -4.444 1.00 1.04 H new ATOM 0 HA LEU A 41 32.226 6.085 -4.510 1.00 1.05 H new ATOM 0 HB2 LEU A 41 29.848 6.365 -3.491 1.00 1.04 H new ATOM 0 HB3 LEU A 41 30.490 5.520 -2.096 1.00 1.04 H new ATOM 0 HG LEU A 41 32.270 7.294 -1.919 1.00 1.04 H new ATOM 0 HD11 LEU A 41 31.878 9.418 -3.103 1.00 1.19 H new ATOM 0 HD12 LEU A 41 32.203 8.084 -4.235 1.00 1.19 H new ATOM 0 HD13 LEU A 41 30.538 8.667 -4.001 1.00 1.19 H new ATOM 0 HD21 LEU A 41 30.759 8.977 -0.942 1.00 1.07 H new ATOM 0 HD22 LEU A 41 29.379 8.211 -1.764 1.00 1.07 H new ATOM 0 HD23 LEU A 41 30.270 7.322 -0.506 1.00 1.07 H new ATOM 691 N SER A 42 32.427 3.504 -2.476 1.00 1.07 N ATOM 692 CA SER A 42 33.342 2.722 -1.656 1.00 1.12 C ATOM 693 C SER A 42 34.537 2.237 -2.478 1.00 1.16 C ATOM 694 O SER A 42 35.667 2.211 -1.989 1.00 1.20 O ATOM 695 CB SER A 42 32.596 1.528 -1.049 1.00 1.13 C ATOM 696 OG SER A 42 33.409 0.811 -0.134 1.00 1.47 O ATOM 0 H SER A 42 31.509 3.077 -2.603 1.00 1.07 H new ATOM 0 HA SER A 42 33.721 3.357 -0.855 1.00 1.12 H new ATOM 0 HB2 SER A 42 31.699 1.880 -0.540 1.00 1.13 H new ATOM 0 HB3 SER A 42 32.269 0.860 -1.846 1.00 1.13 H new ATOM 0 HG SER A 42 32.901 0.058 0.234 1.00 1.47 H new ATOM 702 N GLU A 43 34.281 1.877 -3.730 1.00 1.16 N ATOM 703 CA GLU A 43 35.327 1.393 -4.621 1.00 1.22 C ATOM 704 C GLU A 43 36.380 2.477 -4.857 1.00 1.21 C ATOM 705 O GLU A 43 37.577 2.199 -4.843 1.00 1.25 O ATOM 706 CB GLU A 43 34.725 0.949 -5.957 1.00 1.27 C ATOM 707 CG GLU A 43 35.718 0.272 -6.891 1.00 1.60 C ATOM 708 CD GLU A 43 36.181 -1.077 -6.378 1.00 1.71 C ATOM 709 OE1 GLU A 43 35.349 -1.827 -5.829 1.00 1.94 O ATOM 710 OE2 GLU A 43 37.381 -1.397 -6.524 1.00 1.98 O ATOM 0 H GLU A 43 33.353 1.912 -4.152 1.00 1.16 H new ATOM 0 HA GLU A 43 35.809 0.537 -4.148 1.00 1.22 H new ATOM 0 HB2 GLU A 43 33.900 0.263 -5.762 1.00 1.27 H new ATOM 0 HB3 GLU A 43 34.304 1.819 -6.461 1.00 1.27 H new ATOM 0 HG2 GLU A 43 35.259 0.145 -7.871 1.00 1.60 H new ATOM 0 HG3 GLU A 43 36.583 0.921 -7.026 1.00 1.60 H new ATOM 717 N LYS A 44 35.930 3.715 -5.050 1.00 1.18 N ATOM 718 CA LYS A 44 36.845 4.829 -5.289 1.00 1.20 C ATOM 719 C LYS A 44 37.589 5.197 -4.007 1.00 1.20 C ATOM 720 O LYS A 44 38.801 5.420 -4.026 1.00 1.25 O ATOM 721 CB LYS A 44 36.082 6.058 -5.806 1.00 1.22 C ATOM 722 CG LYS A 44 34.988 5.744 -6.817 1.00 1.25 C ATOM 723 CD LYS A 44 35.550 5.236 -8.134 1.00 1.46 C ATOM 724 CE LYS A 44 34.453 5.060 -9.174 1.00 1.75 C ATOM 725 NZ LYS A 44 34.937 4.330 -10.373 1.00 2.12 N ATOM 0 H LYS A 44 34.943 3.971 -5.046 1.00 1.18 H new ATOM 0 HA LYS A 44 37.565 4.513 -6.044 1.00 1.20 H new ATOM 0 HB2 LYS A 44 35.636 6.577 -4.957 1.00 1.22 H new ATOM 0 HB3 LYS A 44 36.794 6.746 -6.262 1.00 1.22 H new ATOM 0 HG2 LYS A 44 34.314 4.996 -6.399 1.00 1.25 H new ATOM 0 HG3 LYS A 44 34.396 6.641 -6.999 1.00 1.25 H new ATOM 0 HD2 LYS A 44 36.298 5.936 -8.507 1.00 1.46 H new ATOM 0 HD3 LYS A 44 36.057 4.284 -7.972 1.00 1.46 H new ATOM 0 HE2 LYS A 44 33.617 4.517 -8.732 1.00 1.75 H new ATOM 0 HE3 LYS A 44 34.076 6.038 -9.472 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 34.160 4.231 -11.057 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 35.718 4.860 -10.811 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 35.273 3.387 -10.093 1.00 2.12 H new ATOM 739 N ALA A 45 36.858 5.219 -2.895 1.00 1.17 N ATOM 740 CA ALA A 45 37.425 5.575 -1.595 1.00 1.18 C ATOM 741 C ALA A 45 38.517 4.601 -1.166 1.00 1.18 C ATOM 742 O ALA A 45 39.448 4.972 -0.455 1.00 1.19 O ATOM 743 CB ALA A 45 36.325 5.630 -0.543 1.00 1.21 C ATOM 0 H ALA A 45 35.864 4.993 -2.868 1.00 1.17 H new ATOM 0 HA ALA A 45 37.883 6.559 -1.692 1.00 1.18 H new ATOM 0 HB1 ALA A 45 36.757 5.896 0.422 1.00 1.21 H new ATOM 0 HB2 ALA A 45 35.586 6.379 -0.828 1.00 1.21 H new ATOM 0 HB3 ALA A 45 35.844 4.655 -0.469 1.00 1.21 H new ATOM 749 N LYS A 46 38.399 3.360 -1.612 1.00 1.21 N ATOM 750 CA LYS A 46 39.364 2.316 -1.283 1.00 1.24 C ATOM 751 C LYS A 46 40.760 2.650 -1.831 1.00 1.24 C ATOM 752 O LYS A 46 41.774 2.176 -1.309 1.00 1.27 O ATOM 753 CB LYS A 46 38.871 0.981 -1.850 1.00 1.32 C ATOM 754 CG LYS A 46 39.780 -0.207 -1.570 1.00 1.61 C ATOM 755 CD LYS A 46 39.211 -1.488 -2.166 1.00 2.02 C ATOM 756 CE LYS A 46 38.782 -1.286 -3.613 1.00 2.38 C ATOM 757 NZ LYS A 46 38.324 -2.547 -4.249 1.00 2.75 N ATOM 0 H LYS A 46 37.635 3.046 -2.211 1.00 1.21 H new ATOM 0 HA LYS A 46 39.449 2.246 -0.199 1.00 1.24 H new ATOM 0 HB2 LYS A 46 37.884 0.770 -1.438 1.00 1.32 H new ATOM 0 HB3 LYS A 46 38.751 1.083 -2.929 1.00 1.32 H new ATOM 0 HG2 LYS A 46 40.769 -0.017 -1.986 1.00 1.61 H new ATOM 0 HG3 LYS A 46 39.905 -0.327 -0.494 1.00 1.61 H new ATOM 0 HD2 LYS A 46 39.959 -2.279 -2.114 1.00 2.02 H new ATOM 0 HD3 LYS A 46 38.357 -1.818 -1.575 1.00 2.02 H new ATOM 0 HE2 LYS A 46 37.979 -0.550 -3.652 1.00 2.38 H new ATOM 0 HE3 LYS A 46 39.616 -0.877 -4.183 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 38.091 -2.368 -5.247 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 39.080 -3.259 -4.192 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 37.480 -2.899 -3.754 1.00 2.75 H new ATOM 771 N THR A 47 40.806 3.498 -2.853 1.00 1.23 N ATOM 772 CA THR A 47 42.064 3.882 -3.486 1.00 1.26 C ATOM 773 C THR A 47 42.680 5.133 -2.856 1.00 1.21 C ATOM 774 O THR A 47 43.632 5.700 -3.394 1.00 1.30 O ATOM 775 CB THR A 47 41.852 4.143 -4.989 1.00 1.39 C ATOM 776 OG1 THR A 47 40.648 3.493 -5.433 1.00 1.54 O ATOM 777 CG2 THR A 47 43.037 3.638 -5.799 1.00 1.62 C ATOM 0 H THR A 47 39.981 3.935 -3.263 1.00 1.23 H new ATOM 0 HA THR A 47 42.751 3.049 -3.336 1.00 1.26 H new ATOM 0 HB THR A 47 41.762 5.219 -5.141 1.00 1.39 H new ATOM 0 HG1 THR A 47 39.874 4.053 -5.215 1.00 1.54 H new ATOM 0 HG21 THR A 47 42.864 3.833 -6.857 1.00 1.62 H new ATOM 0 HG22 THR A 47 43.943 4.153 -5.478 1.00 1.62 H new ATOM 0 HG23 THR A 47 43.154 2.566 -5.643 1.00 1.62 H new ATOM 785 N ASP A 48 42.144 5.575 -1.726 1.00 1.15 N ATOM 786 CA ASP A 48 42.674 6.765 -1.066 1.00 1.15 C ATOM 787 C ASP A 48 42.524 6.664 0.448 1.00 1.09 C ATOM 788 O ASP A 48 41.454 6.328 0.947 1.00 1.06 O ATOM 789 CB ASP A 48 41.961 8.015 -1.589 1.00 1.24 C ATOM 790 CG ASP A 48 42.573 9.297 -1.066 1.00 1.32 C ATOM 791 OD1 ASP A 48 43.598 9.742 -1.628 1.00 1.50 O ATOM 792 OD2 ASP A 48 42.030 9.865 -0.100 1.00 1.41 O ATOM 0 H ASP A 48 41.355 5.137 -1.252 1.00 1.15 H new ATOM 0 HA ASP A 48 43.737 6.839 -1.295 1.00 1.15 H new ATOM 0 HB2 ASP A 48 41.995 8.019 -2.678 1.00 1.24 H new ATOM 0 HB3 ASP A 48 40.910 7.976 -1.303 1.00 1.24 H new ATOM 797 N PRO A 49 43.600 6.951 1.198 1.00 1.12 N ATOM 798 CA PRO A 49 43.587 6.884 2.663 1.00 1.13 C ATOM 799 C PRO A 49 42.578 7.842 3.291 1.00 1.17 C ATOM 800 O PRO A 49 41.865 7.480 4.233 1.00 1.18 O ATOM 801 CB PRO A 49 45.013 7.281 3.064 1.00 1.22 C ATOM 802 CG PRO A 49 45.580 7.976 1.873 1.00 1.25 C ATOM 803 CD PRO A 49 44.917 7.353 0.680 1.00 1.19 C ATOM 0 HA PRO A 49 43.292 5.894 3.009 1.00 1.13 H new ATOM 0 HB2 PRO A 49 45.008 7.936 3.936 1.00 1.22 H new ATOM 0 HB3 PRO A 49 45.606 6.405 3.327 1.00 1.22 H new ATOM 0 HG2 PRO A 49 45.382 9.047 1.915 1.00 1.25 H new ATOM 0 HG3 PRO A 49 46.662 7.853 1.827 1.00 1.25 H new ATOM 0 HD2 PRO A 49 44.826 8.060 -0.145 1.00 1.19 H new ATOM 0 HD3 PRO A 49 45.481 6.498 0.307 1.00 1.19 H new ATOM 811 N GLN A 50 42.505 9.058 2.757 1.00 1.23 N ATOM 812 CA GLN A 50 41.585 10.064 3.276 1.00 1.30 C ATOM 813 C GLN A 50 40.149 9.683 2.949 1.00 1.21 C ATOM 814 O GLN A 50 39.267 9.721 3.812 1.00 1.22 O ATOM 815 CB GLN A 50 41.908 11.453 2.710 1.00 1.43 C ATOM 816 CG GLN A 50 42.951 12.222 3.511 1.00 1.59 C ATOM 817 CD GLN A 50 44.349 11.659 3.361 1.00 1.77 C ATOM 818 OE1 GLN A 50 44.780 10.806 4.135 1.00 2.00 O ATOM 819 NE2 GLN A 50 45.071 12.135 2.362 1.00 1.96 N ATOM 0 H GLN A 50 43.070 9.370 1.967 1.00 1.23 H new ATOM 0 HA GLN A 50 41.703 10.104 4.359 1.00 1.30 H new ATOM 0 HB2 GLN A 50 42.261 11.343 1.685 1.00 1.43 H new ATOM 0 HB3 GLN A 50 40.990 12.040 2.670 1.00 1.43 H new ATOM 0 HG2 GLN A 50 42.949 13.264 3.192 1.00 1.59 H new ATOM 0 HG3 GLN A 50 42.672 12.211 4.565 1.00 1.59 H new ATOM 0 HE21 GLN A 50 44.678 12.842 1.741 1.00 1.96 H new ATOM 0 HE22 GLN A 50 46.021 11.795 2.212 1.00 1.96 H new ATOM 828 N ALA A 51 39.923 9.297 1.699 1.00 1.16 N ATOM 829 CA ALA A 51 38.599 8.887 1.246 1.00 1.11 C ATOM 830 C ALA A 51 38.098 7.692 2.049 1.00 1.02 C ATOM 831 O ALA A 51 36.907 7.586 2.349 1.00 1.00 O ATOM 832 CB ALA A 51 38.619 8.569 -0.240 1.00 1.15 C ATOM 0 H ALA A 51 40.643 9.259 0.978 1.00 1.16 H new ATOM 0 HA ALA A 51 37.910 9.715 1.409 1.00 1.11 H new ATOM 0 HB1 ALA A 51 37.623 8.265 -0.560 1.00 1.15 H new ATOM 0 HB2 ALA A 51 38.925 9.454 -0.797 1.00 1.15 H new ATOM 0 HB3 ALA A 51 39.324 7.759 -0.429 1.00 1.15 H new ATOM 838 N ALA A 52 39.016 6.798 2.401 1.00 1.01 N ATOM 839 CA ALA A 52 38.677 5.618 3.188 1.00 1.01 C ATOM 840 C ALA A 52 38.175 6.020 4.573 1.00 1.04 C ATOM 841 O ALA A 52 37.321 5.350 5.154 1.00 1.05 O ATOM 842 CB ALA A 52 39.877 4.688 3.297 1.00 1.07 C ATOM 0 H ALA A 52 40.003 6.869 2.153 1.00 1.01 H new ATOM 0 HA ALA A 52 37.875 5.083 2.679 1.00 1.01 H new ATOM 0 HB1 ALA A 52 39.606 3.813 3.887 1.00 1.07 H new ATOM 0 HB2 ALA A 52 40.184 4.372 2.300 1.00 1.07 H new ATOM 0 HB3 ALA A 52 40.701 5.212 3.782 1.00 1.07 H new ATOM 848 N GLU A 53 38.703 7.124 5.088 1.00 1.10 N ATOM 849 CA GLU A 53 38.303 7.628 6.395 1.00 1.20 C ATOM 850 C GLU A 53 36.917 8.265 6.305 1.00 1.18 C ATOM 851 O GLU A 53 36.136 8.237 7.260 1.00 1.23 O ATOM 852 CB GLU A 53 39.333 8.641 6.909 1.00 1.32 C ATOM 853 CG GLU A 53 39.051 9.155 8.314 1.00 1.52 C ATOM 854 CD GLU A 53 38.975 8.043 9.342 1.00 1.64 C ATOM 855 OE1 GLU A 53 40.021 7.436 9.649 1.00 1.87 O ATOM 856 OE2 GLU A 53 37.870 7.779 9.860 1.00 1.65 O ATOM 0 H GLU A 53 39.411 7.688 4.618 1.00 1.10 H new ATOM 0 HA GLU A 53 38.258 6.798 7.100 1.00 1.20 H new ATOM 0 HB2 GLU A 53 40.320 8.179 6.894 1.00 1.32 H new ATOM 0 HB3 GLU A 53 39.367 9.488 6.224 1.00 1.32 H new ATOM 0 HG2 GLU A 53 39.833 9.858 8.603 1.00 1.52 H new ATOM 0 HG3 GLU A 53 38.111 9.707 8.312 1.00 1.52 H new ATOM 863 N LYS A 54 36.619 8.834 5.146 1.00 1.14 N ATOM 864 CA LYS A 54 35.327 9.464 4.915 1.00 1.15 C ATOM 865 C LYS A 54 34.243 8.399 4.857 1.00 1.06 C ATOM 866 O LYS A 54 33.194 8.532 5.482 1.00 1.08 O ATOM 867 CB LYS A 54 35.341 10.266 3.611 1.00 1.20 C ATOM 868 CG LYS A 54 36.497 11.238 3.506 1.00 1.43 C ATOM 869 CD LYS A 54 36.549 11.877 2.128 1.00 1.56 C ATOM 870 CE LYS A 54 35.530 13.000 1.996 1.00 1.86 C ATOM 871 NZ LYS A 54 36.066 14.296 2.485 1.00 2.25 N ATOM 0 H LYS A 54 37.255 8.872 4.350 1.00 1.14 H new ATOM 0 HA LYS A 54 35.120 10.149 5.737 1.00 1.15 H new ATOM 0 HB2 LYS A 54 35.382 9.574 2.770 1.00 1.20 H new ATOM 0 HB3 LYS A 54 34.405 10.818 3.524 1.00 1.20 H new ATOM 0 HG2 LYS A 54 36.395 12.013 4.266 1.00 1.43 H new ATOM 0 HG3 LYS A 54 37.434 10.717 3.705 1.00 1.43 H new ATOM 0 HD2 LYS A 54 37.550 12.269 1.945 1.00 1.56 H new ATOM 0 HD3 LYS A 54 36.359 11.120 1.367 1.00 1.56 H new ATOM 0 HE2 LYS A 54 35.234 13.101 0.952 1.00 1.86 H new ATOM 0 HE3 LYS A 54 34.632 12.743 2.558 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 35.341 15.034 2.378 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 36.325 14.208 3.488 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 36.908 14.554 1.932 1.00 2.25 H new ATOM 885 N LEU A 55 34.527 7.326 4.125 1.00 0.98 N ATOM 886 CA LEU A 55 33.589 6.221 3.979 1.00 0.95 C ATOM 887 C LEU A 55 33.425 5.481 5.303 1.00 0.98 C ATOM 888 O LEU A 55 32.396 4.855 5.559 1.00 1.00 O ATOM 889 CB LEU A 55 34.061 5.255 2.889 1.00 0.93 C ATOM 890 CG LEU A 55 33.096 5.075 1.710 1.00 1.05 C ATOM 891 CD1 LEU A 55 31.766 4.503 2.179 1.00 1.34 C ATOM 892 CD2 LEU A 55 32.881 6.398 0.988 1.00 1.22 C ATOM 0 H LEU A 55 35.405 7.199 3.621 1.00 0.98 H new ATOM 0 HA LEU A 55 32.622 6.630 3.686 1.00 0.95 H new ATOM 0 HB2 LEU A 55 35.018 5.607 2.504 1.00 0.93 H new ATOM 0 HB3 LEU A 55 34.240 4.280 3.343 1.00 0.93 H new ATOM 0 HG LEU A 55 33.543 4.368 1.012 1.00 1.05 H new ATOM 0 HD11 LEU A 55 31.099 4.385 1.325 1.00 1.34 H new ATOM 0 HD12 LEU A 55 31.932 3.533 2.647 1.00 1.34 H new ATOM 0 HD13 LEU A 55 31.313 5.181 2.902 1.00 1.34 H new ATOM 0 HD21 LEU A 55 32.194 6.250 0.155 1.00 1.22 H new ATOM 0 HD22 LEU A 55 32.460 7.126 1.681 1.00 1.22 H new ATOM 0 HD23 LEU A 55 33.835 6.766 0.610 1.00 1.22 H new ATOM 904 N ASN A 56 34.450 5.570 6.136 1.00 1.04 N ATOM 905 CA ASN A 56 34.457 4.927 7.446 1.00 1.14 C ATOM 906 C ASN A 56 33.332 5.470 8.322 1.00 1.19 C ATOM 907 O ASN A 56 32.548 4.706 8.893 1.00 1.25 O ATOM 908 CB ASN A 56 35.816 5.154 8.113 1.00 1.25 C ATOM 909 CG ASN A 56 35.929 4.507 9.481 1.00 1.42 C ATOM 910 OD1 ASN A 56 35.318 3.472 9.744 1.00 1.48 O ATOM 911 ND2 ASN A 56 36.729 5.105 10.352 1.00 1.57 N ATOM 0 H ASN A 56 35.302 6.090 5.925 1.00 1.04 H new ATOM 0 HA ASN A 56 34.292 3.857 7.319 1.00 1.14 H new ATOM 0 HB2 ASN A 56 36.600 4.760 7.467 1.00 1.25 H new ATOM 0 HB3 ASN A 56 35.991 6.226 8.210 1.00 1.25 H new ATOM 0 HD21 ASN A 56 36.857 4.708 11.283 1.00 1.57 H new ATOM 0 HD22 ASN A 56 37.217 5.962 10.092 1.00 1.57 H new ATOM 918 N LYS A 57 33.246 6.792 8.410 1.00 1.20 N ATOM 919 CA LYS A 57 32.210 7.439 9.211 1.00 1.28 C ATOM 920 C LYS A 57 30.868 7.395 8.491 1.00 1.22 C ATOM 921 O LYS A 57 29.815 7.319 9.128 1.00 1.27 O ATOM 922 CB LYS A 57 32.585 8.888 9.551 1.00 1.39 C ATOM 923 CG LYS A 57 33.298 9.632 8.428 1.00 1.52 C ATOM 924 CD LYS A 57 33.843 10.975 8.897 1.00 1.63 C ATOM 925 CE LYS A 57 34.849 10.815 10.033 1.00 1.74 C ATOM 926 NZ LYS A 57 35.900 9.807 9.717 1.00 1.86 N ATOM 0 H LYS A 57 33.879 7.437 7.938 1.00 1.20 H new ATOM 0 HA LYS A 57 32.125 6.886 10.147 1.00 1.28 H new ATOM 0 HB2 LYS A 57 31.679 9.433 9.814 1.00 1.39 H new ATOM 0 HB3 LYS A 57 33.224 8.888 10.434 1.00 1.39 H new ATOM 0 HG2 LYS A 57 34.116 9.020 8.049 1.00 1.52 H new ATOM 0 HG3 LYS A 57 32.607 9.789 7.600 1.00 1.52 H new ATOM 0 HD2 LYS A 57 34.319 11.486 8.060 1.00 1.63 H new ATOM 0 HD3 LYS A 57 33.018 11.606 9.229 1.00 1.63 H new ATOM 0 HE2 LYS A 57 35.320 11.777 10.237 1.00 1.74 H new ATOM 0 HE3 LYS A 57 34.325 10.518 10.941 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 36.812 10.124 10.104 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 35.643 8.893 10.141 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 35.980 9.700 8.686 1.00 1.86 H new ATOM 940 N LEU A 58 30.910 7.439 7.164 1.00 1.12 N ATOM 941 CA LEU A 58 29.697 7.398 6.353 1.00 1.10 C ATOM 942 C LEU A 58 28.903 6.125 6.637 1.00 1.08 C ATOM 943 O LEU A 58 27.698 6.173 6.886 1.00 1.11 O ATOM 944 CB LEU A 58 30.052 7.481 4.863 1.00 1.06 C ATOM 945 CG LEU A 58 29.580 8.750 4.139 1.00 1.22 C ATOM 946 CD1 LEU A 58 28.061 8.825 4.116 1.00 1.35 C ATOM 947 CD2 LEU A 58 30.166 9.993 4.795 1.00 1.39 C ATOM 0 H LEU A 58 31.774 7.503 6.625 1.00 1.12 H new ATOM 0 HA LEU A 58 29.078 8.256 6.615 1.00 1.10 H new ATOM 0 HB2 LEU A 58 31.135 7.407 4.761 1.00 1.06 H new ATOM 0 HB3 LEU A 58 29.625 6.615 4.357 1.00 1.06 H new ATOM 0 HG LEU A 58 29.936 8.705 3.110 1.00 1.22 H new ATOM 0 HD11 LEU A 58 27.749 9.732 3.598 1.00 1.35 H new ATOM 0 HD12 LEU A 58 27.662 7.955 3.596 1.00 1.35 H new ATOM 0 HD13 LEU A 58 27.682 8.842 5.138 1.00 1.35 H new ATOM 0 HD21 LEU A 58 29.819 10.881 4.267 1.00 1.39 H new ATOM 0 HD22 LEU A 58 29.845 10.041 5.835 1.00 1.39 H new ATOM 0 HD23 LEU A 58 31.254 9.948 4.753 1.00 1.39 H new ATOM 959 N ILE A 59 29.587 4.990 6.601 1.00 1.07 N ATOM 960 CA ILE A 59 28.944 3.708 6.862 1.00 1.12 C ATOM 961 C ILE A 59 28.539 3.580 8.332 1.00 1.22 C ATOM 962 O ILE A 59 27.521 2.961 8.649 1.00 1.28 O ATOM 963 CB ILE A 59 29.827 2.509 6.438 1.00 1.15 C ATOM 964 CG1 ILE A 59 28.991 1.227 6.382 1.00 1.28 C ATOM 965 CG2 ILE A 59 31.010 2.328 7.380 1.00 1.26 C ATOM 966 CD1 ILE A 59 27.967 1.209 5.264 1.00 1.39 C ATOM 0 H ILE A 59 30.584 4.930 6.394 1.00 1.07 H new ATOM 0 HA ILE A 59 28.043 3.682 6.249 1.00 1.12 H new ATOM 0 HB ILE A 59 30.221 2.720 5.444 1.00 1.15 H new ATOM 0 HG12 ILE A 59 29.659 0.374 6.263 1.00 1.28 H new ATOM 0 HG13 ILE A 59 28.477 1.098 7.334 1.00 1.28 H new ATOM 0 HG21 ILE A 59 31.609 1.478 7.053 1.00 1.26 H new ATOM 0 HG22 ILE A 59 31.624 3.229 7.371 1.00 1.26 H new ATOM 0 HG23 ILE A 59 30.646 2.148 8.391 1.00 1.26 H new ATOM 0 HD11 ILE A 59 27.416 0.269 5.291 1.00 1.39 H new ATOM 0 HD12 ILE A 59 27.274 2.040 5.392 1.00 1.39 H new ATOM 0 HD13 ILE A 59 28.475 1.305 4.304 1.00 1.39 H new ATOM 978 N GLU A 60 29.338 4.167 9.222 1.00 1.27 N ATOM 979 CA GLU A 60 29.065 4.115 10.652 1.00 1.41 C ATOM 980 C GLU A 60 27.733 4.787 10.967 1.00 1.39 C ATOM 981 O GLU A 60 27.008 4.359 11.869 1.00 1.49 O ATOM 982 CB GLU A 60 30.194 4.785 11.442 1.00 1.52 C ATOM 983 CG GLU A 60 30.041 4.640 12.947 1.00 1.73 C ATOM 984 CD GLU A 60 31.207 5.215 13.719 1.00 2.09 C ATOM 985 OE1 GLU A 60 31.403 6.448 13.681 1.00 2.28 O ATOM 986 OE2 GLU A 60 31.932 4.434 14.372 1.00 2.61 O ATOM 0 H GLU A 60 30.181 4.685 8.974 1.00 1.27 H new ATOM 0 HA GLU A 60 29.007 3.068 10.949 1.00 1.41 H new ATOM 0 HB2 GLU A 60 31.147 4.353 11.137 1.00 1.52 H new ATOM 0 HB3 GLU A 60 30.228 5.844 11.187 1.00 1.52 H new ATOM 0 HG2 GLU A 60 29.123 5.137 13.263 1.00 1.73 H new ATOM 0 HG3 GLU A 60 29.934 3.584 13.195 1.00 1.73 H new ATOM 993 N GLY A 61 27.423 5.844 10.221 1.00 1.30 N ATOM 994 CA GLY A 61 26.172 6.564 10.412 1.00 1.30 C ATOM 995 C GLY A 61 24.955 5.705 10.126 1.00 1.26 C ATOM 996 O GLY A 61 23.880 5.926 10.689 1.00 1.27 O ATOM 0 H GLY A 61 28.019 6.218 9.483 1.00 1.30 H new ATOM 0 HA2 GLY A 61 26.121 6.930 11.437 1.00 1.30 H new ATOM 0 HA3 GLY A 61 26.157 7.438 9.760 1.00 1.30 H new ATOM 1000 N TYR A 62 25.129 4.711 9.260 1.00 1.25 N ATOM 1001 CA TYR A 62 24.044 3.806 8.897 1.00 1.31 C ATOM 1002 C TYR A 62 23.593 2.982 10.095 1.00 1.43 C ATOM 1003 O TYR A 62 22.432 2.582 10.188 1.00 1.47 O ATOM 1004 CB TYR A 62 24.484 2.881 7.759 1.00 1.39 C ATOM 1005 CG TYR A 62 24.118 3.388 6.379 1.00 1.59 C ATOM 1006 CD1 TYR A 62 22.804 3.330 5.927 1.00 2.03 C ATOM 1007 CD2 TYR A 62 25.081 3.912 5.524 1.00 2.27 C ATOM 1008 CE1 TYR A 62 22.463 3.783 4.667 1.00 2.60 C ATOM 1009 CE2 TYR A 62 24.745 4.362 4.261 1.00 2.80 C ATOM 1010 CZ TYR A 62 23.434 4.295 3.839 1.00 2.80 C ATOM 1011 OH TYR A 62 23.096 4.741 2.581 1.00 3.54 O ATOM 0 H TYR A 62 26.015 4.512 8.795 1.00 1.25 H new ATOM 0 HA TYR A 62 23.200 4.409 8.561 1.00 1.31 H new ATOM 0 HB2 TYR A 62 25.564 2.746 7.811 1.00 1.39 H new ATOM 0 HB3 TYR A 62 24.033 1.900 7.906 1.00 1.39 H new ATOM 0 HD1 TYR A 62 22.038 2.924 6.571 1.00 2.03 H new ATOM 0 HD2 TYR A 62 26.108 3.968 5.852 1.00 2.27 H new ATOM 0 HE1 TYR A 62 21.437 3.735 4.334 1.00 2.60 H new ATOM 0 HE2 TYR A 62 25.505 4.764 3.608 1.00 2.80 H new ATOM 0 HH TYR A 62 23.828 5.282 2.218 1.00 3.54 H new ATOM 1021 N THR A 63 24.518 2.739 11.014 1.00 1.55 N ATOM 1022 CA THR A 63 24.224 1.970 12.212 1.00 1.74 C ATOM 1023 C THR A 63 23.321 2.755 13.155 1.00 1.68 C ATOM 1024 O THR A 63 22.597 2.182 13.963 1.00 1.81 O ATOM 1025 CB THR A 63 25.510 1.573 12.943 1.00 1.96 C ATOM 1026 OG1 THR A 63 26.632 1.746 12.069 1.00 2.00 O ATOM 1027 CG2 THR A 63 25.444 0.129 13.411 1.00 2.37 C ATOM 0 H THR A 63 25.482 3.066 10.950 1.00 1.55 H new ATOM 0 HA THR A 63 23.706 1.064 11.898 1.00 1.74 H new ATOM 0 HB THR A 63 25.622 2.213 13.818 1.00 1.96 H new ATOM 0 HG1 THR A 63 27.005 2.644 12.189 1.00 2.00 H new ATOM 0 HG21 THR A 63 26.369 -0.129 13.927 1.00 2.37 H new ATOM 0 HG22 THR A 63 24.602 0.005 14.092 1.00 2.37 H new ATOM 0 HG23 THR A 63 25.314 -0.527 12.550 1.00 2.37 H new ATOM 1035 N TYR A 64 23.387 4.076 13.052 1.00 1.56 N ATOM 1036 CA TYR A 64 22.575 4.953 13.885 1.00 1.61 C ATOM 1037 C TYR A 64 21.397 5.476 13.080 1.00 1.32 C ATOM 1038 O TYR A 64 20.908 6.585 13.310 1.00 1.40 O ATOM 1039 CB TYR A 64 23.411 6.124 14.396 1.00 1.89 C ATOM 1040 CG TYR A 64 24.688 5.711 15.101 1.00 2.36 C ATOM 1041 CD1 TYR A 64 24.649 5.006 16.299 1.00 2.88 C ATOM 1042 CD2 TYR A 64 25.930 6.029 14.570 1.00 2.94 C ATOM 1043 CE1 TYR A 64 25.813 4.633 16.943 1.00 3.56 C ATOM 1044 CE2 TYR A 64 27.097 5.659 15.211 1.00 3.61 C ATOM 1045 CZ TYR A 64 27.032 4.962 16.396 1.00 3.79 C ATOM 1046 OH TYR A 64 28.188 4.590 17.037 1.00 4.61 O ATOM 0 H TYR A 64 23.997 4.565 12.397 1.00 1.56 H new ATOM 0 HA TYR A 64 22.207 4.385 14.740 1.00 1.61 H new ATOM 0 HB2 TYR A 64 23.665 6.769 13.555 1.00 1.89 H new ATOM 0 HB3 TYR A 64 22.806 6.717 15.081 1.00 1.89 H new ATOM 0 HD1 TYR A 64 23.695 4.746 16.732 1.00 2.88 H new ATOM 0 HD2 TYR A 64 25.986 6.575 13.640 1.00 2.94 H new ATOM 0 HE1 TYR A 64 25.766 4.085 17.873 1.00 3.56 H new ATOM 0 HE2 TYR A 64 28.055 5.916 14.784 1.00 3.61 H new ATOM 0 HH TYR A 64 28.962 4.897 16.520 1.00 4.61 H new ATOM 1056 N GLY A 65 20.944 4.665 12.138 1.00 1.16 N ATOM 1057 CA GLY A 65 19.837 5.049 11.292 1.00 1.08 C ATOM 1058 C GLY A 65 18.493 4.950 11.988 1.00 1.03 C ATOM 1059 O GLY A 65 17.661 4.113 11.631 1.00 1.02 O ATOM 0 H GLY A 65 21.328 3.740 11.944 1.00 1.16 H new ATOM 0 HA2 GLY A 65 19.987 6.073 10.950 1.00 1.08 H new ATOM 0 HA3 GLY A 65 19.828 4.415 10.406 1.00 1.08 H new ATOM 1063 N GLU A 66 18.288 5.802 12.986 1.00 1.04 N ATOM 1064 CA GLU A 66 17.033 5.837 13.731 1.00 1.03 C ATOM 1065 C GLU A 66 15.882 6.170 12.794 1.00 0.98 C ATOM 1066 O GLU A 66 14.760 5.700 12.972 1.00 0.98 O ATOM 1067 CB GLU A 66 17.107 6.873 14.854 1.00 1.10 C ATOM 1068 CG GLU A 66 17.570 6.304 16.186 1.00 1.55 C ATOM 1069 CD GLU A 66 16.470 5.556 16.917 1.00 1.48 C ATOM 1070 OE1 GLU A 66 15.418 6.171 17.208 1.00 1.79 O ATOM 1071 OE2 GLU A 66 16.655 4.359 17.212 1.00 1.73 O ATOM 0 H GLU A 66 18.980 6.483 13.300 1.00 1.04 H new ATOM 0 HA GLU A 66 16.863 4.855 14.173 1.00 1.03 H new ATOM 0 HB2 GLU A 66 17.786 7.671 14.555 1.00 1.10 H new ATOM 0 HB3 GLU A 66 16.123 7.324 14.985 1.00 1.10 H new ATOM 0 HG2 GLU A 66 18.411 5.631 16.017 1.00 1.55 H new ATOM 0 HG3 GLU A 66 17.933 7.115 16.817 1.00 1.55 H new ATOM 1078 N GLU A 67 16.185 6.968 11.777 1.00 0.98 N ATOM 1079 CA GLU A 67 15.195 7.379 10.797 1.00 0.98 C ATOM 1080 C GLU A 67 14.735 6.184 9.972 1.00 0.95 C ATOM 1081 O GLU A 67 13.564 6.075 9.617 1.00 0.93 O ATOM 1082 CB GLU A 67 15.769 8.468 9.892 1.00 1.05 C ATOM 1083 CG GLU A 67 16.634 9.464 10.644 1.00 1.33 C ATOM 1084 CD GLU A 67 17.066 10.629 9.786 1.00 1.79 C ATOM 1085 OE1 GLU A 67 16.193 11.403 9.347 1.00 2.37 O ATOM 1086 OE2 GLU A 67 18.281 10.793 9.561 1.00 2.46 O ATOM 0 H GLU A 67 17.118 7.345 11.612 1.00 0.98 H new ATOM 0 HA GLU A 67 14.331 7.785 11.322 1.00 0.98 H new ATOM 0 HB2 GLU A 67 16.360 8.004 9.103 1.00 1.05 H new ATOM 0 HB3 GLU A 67 14.950 8.999 9.406 1.00 1.05 H new ATOM 0 HG2 GLU A 67 16.083 9.839 11.506 1.00 1.33 H new ATOM 0 HG3 GLU A 67 17.518 8.954 11.028 1.00 1.33 H new ATOM 1093 N ARG A 68 15.665 5.273 9.690 1.00 0.97 N ATOM 1094 CA ARG A 68 15.354 4.072 8.926 1.00 0.99 C ATOM 1095 C ARG A 68 14.414 3.189 9.737 1.00 0.96 C ATOM 1096 O ARG A 68 13.533 2.524 9.190 1.00 0.97 O ATOM 1097 CB ARG A 68 16.640 3.317 8.566 1.00 1.06 C ATOM 1098 CG ARG A 68 16.456 2.276 7.471 1.00 1.17 C ATOM 1099 CD ARG A 68 16.157 0.900 8.043 1.00 1.27 C ATOM 1100 NE ARG A 68 15.689 -0.025 7.016 1.00 1.43 N ATOM 1101 CZ ARG A 68 14.526 -0.679 7.064 1.00 1.40 C ATOM 1102 NH1 ARG A 68 13.683 -0.484 8.072 1.00 1.41 N ATOM 1103 NH2 ARG A 68 14.200 -1.520 6.091 1.00 1.70 N ATOM 0 H ARG A 68 16.640 5.346 9.981 1.00 0.97 H new ATOM 0 HA ARG A 68 14.862 4.352 7.995 1.00 0.99 H new ATOM 0 HB2 ARG A 68 17.395 4.036 8.248 1.00 1.06 H new ATOM 0 HB3 ARG A 68 17.024 2.826 9.460 1.00 1.06 H new ATOM 0 HG2 ARG A 68 15.642 2.581 6.813 1.00 1.17 H new ATOM 0 HG3 ARG A 68 17.358 2.228 6.861 1.00 1.17 H new ATOM 0 HD2 ARG A 68 17.055 0.498 8.512 1.00 1.27 H new ATOM 0 HD3 ARG A 68 15.402 0.988 8.824 1.00 1.27 H new ATOM 0 HE ARG A 68 16.291 -0.182 6.207 1.00 1.43 H new ATOM 0 HH11 ARG A 68 13.922 0.170 8.818 1.00 1.41 H new ATOM 0 HH12 ARG A 68 12.797 -0.988 8.100 1.00 1.41 H new ATOM 0 HH21 ARG A 68 14.837 -1.666 5.308 1.00 1.70 H new ATOM 0 HH22 ARG A 68 13.312 -2.021 6.126 1.00 1.70 H new ATOM 1117 N LYS A 69 14.616 3.190 11.050 1.00 0.95 N ATOM 1118 CA LYS A 69 13.770 2.426 11.955 1.00 0.97 C ATOM 1119 C LYS A 69 12.369 3.021 11.958 1.00 0.91 C ATOM 1120 O LYS A 69 11.372 2.301 12.002 1.00 0.92 O ATOM 1121 CB LYS A 69 14.339 2.452 13.373 1.00 1.04 C ATOM 1122 CG LYS A 69 15.156 1.224 13.741 1.00 1.31 C ATOM 1123 CD LYS A 69 15.840 1.399 15.091 1.00 1.43 C ATOM 1124 CE LYS A 69 14.841 1.694 16.199 1.00 1.48 C ATOM 1125 NZ LYS A 69 15.518 1.989 17.488 1.00 1.54 N ATOM 0 H LYS A 69 15.361 3.713 11.511 1.00 0.95 H new ATOM 0 HA LYS A 69 13.733 1.392 11.613 1.00 0.97 H new ATOM 0 HB2 LYS A 69 14.965 3.337 13.485 1.00 1.04 H new ATOM 0 HB3 LYS A 69 13.516 2.552 14.081 1.00 1.04 H new ATOM 0 HG2 LYS A 69 14.508 0.348 13.770 1.00 1.31 H new ATOM 0 HG3 LYS A 69 15.906 1.040 12.972 1.00 1.31 H new ATOM 0 HD2 LYS A 69 16.397 0.495 15.336 1.00 1.43 H new ATOM 0 HD3 LYS A 69 16.564 2.212 15.029 1.00 1.43 H new ATOM 0 HE2 LYS A 69 14.220 2.543 15.912 1.00 1.48 H new ATOM 0 HE3 LYS A 69 14.175 0.840 16.325 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 14.939 1.631 18.274 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 16.449 1.526 17.505 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 15.640 3.017 17.589 1.00 1.54 H new ATOM 1139 N LEU A 70 12.314 4.346 11.892 1.00 0.90 N ATOM 1140 CA LEU A 70 11.053 5.073 11.871 1.00 0.88 C ATOM 1141 C LEU A 70 10.261 4.729 10.615 1.00 0.85 C ATOM 1142 O LEU A 70 9.041 4.571 10.663 1.00 0.85 O ATOM 1143 CB LEU A 70 11.327 6.578 11.941 1.00 0.93 C ATOM 1144 CG LEU A 70 10.101 7.479 11.793 1.00 1.01 C ATOM 1145 CD1 LEU A 70 9.148 7.272 12.959 1.00 1.14 C ATOM 1146 CD2 LEU A 70 10.521 8.939 11.697 1.00 1.15 C ATOM 0 H LEU A 70 13.140 4.944 11.852 1.00 0.90 H new ATOM 0 HA LEU A 70 10.458 4.781 12.736 1.00 0.88 H new ATOM 0 HB2 LEU A 70 11.805 6.798 12.896 1.00 0.93 H new ATOM 0 HB3 LEU A 70 12.042 6.836 11.160 1.00 0.93 H new ATOM 0 HG LEU A 70 9.583 7.211 10.872 1.00 1.01 H new ATOM 0 HD11 LEU A 70 8.280 7.921 12.839 1.00 1.14 H new ATOM 0 HD12 LEU A 70 8.823 6.232 12.983 1.00 1.14 H new ATOM 0 HD13 LEU A 70 9.656 7.515 13.892 1.00 1.14 H new ATOM 0 HD21 LEU A 70 9.636 9.566 11.592 1.00 1.15 H new ATOM 0 HD22 LEU A 70 11.061 9.222 12.600 1.00 1.15 H new ATOM 0 HD23 LEU A 70 11.167 9.075 10.830 1.00 1.15 H new ATOM 1158 N TYR A 71 10.963 4.599 9.495 1.00 0.84 N ATOM 1159 CA TYR A 71 10.326 4.267 8.225 1.00 0.86 C ATOM 1160 C TYR A 71 9.738 2.859 8.273 1.00 0.85 C ATOM 1161 O TYR A 71 8.700 2.591 7.665 1.00 0.85 O ATOM 1162 CB TYR A 71 11.321 4.388 7.067 1.00 0.91 C ATOM 1163 CG TYR A 71 11.884 5.781 6.881 1.00 0.92 C ATOM 1164 CD1 TYR A 71 11.098 6.907 7.092 1.00 0.94 C ATOM 1165 CD2 TYR A 71 13.204 5.965 6.491 1.00 0.99 C ATOM 1166 CE1 TYR A 71 11.613 8.177 6.923 1.00 1.01 C ATOM 1167 CE2 TYR A 71 13.727 7.233 6.319 1.00 1.05 C ATOM 1168 CZ TYR A 71 12.927 8.335 6.536 1.00 1.05 C ATOM 1169 OH TYR A 71 13.440 9.603 6.371 1.00 1.16 O ATOM 0 H TYR A 71 11.974 4.719 9.440 1.00 0.84 H new ATOM 0 HA TYR A 71 9.517 4.978 8.057 1.00 0.86 H new ATOM 0 HB2 TYR A 71 12.145 3.694 7.235 1.00 0.91 H new ATOM 0 HB3 TYR A 71 10.828 4.080 6.145 1.00 0.91 H new ATOM 0 HD1 TYR A 71 10.068 6.787 7.393 1.00 0.94 H new ATOM 0 HD2 TYR A 71 13.832 5.103 6.319 1.00 0.99 H new ATOM 0 HE1 TYR A 71 10.990 9.042 7.093 1.00 1.01 H new ATOM 0 HE2 TYR A 71 14.756 7.360 6.016 1.00 1.05 H new ATOM 0 HH TYR A 71 14.379 9.543 6.098 1.00 1.16 H new ATOM 1179 N ASP A 72 10.396 1.970 9.013 1.00 0.86 N ATOM 1180 CA ASP A 72 9.928 0.592 9.151 1.00 0.90 C ATOM 1181 C ASP A 72 8.595 0.574 9.885 1.00 0.87 C ATOM 1182 O ASP A 72 7.654 -0.115 9.485 1.00 0.87 O ATOM 1183 CB ASP A 72 10.952 -0.258 9.910 1.00 0.98 C ATOM 1184 CG ASP A 72 10.965 -1.700 9.441 1.00 1.21 C ATOM 1185 OD1 ASP A 72 11.483 -1.957 8.335 1.00 1.48 O ATOM 1186 OD2 ASP A 72 10.472 -2.580 10.175 1.00 1.47 O ATOM 0 H ASP A 72 11.253 2.178 9.526 1.00 0.86 H new ATOM 0 HA ASP A 72 9.801 0.168 8.155 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.945 0.172 9.781 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.727 -0.227 10.976 1.00 0.98 H new ATOM 1191 N SER A 73 8.517 1.359 10.952 1.00 0.85 N ATOM 1192 CA SER A 73 7.301 1.455 11.740 1.00 0.85 C ATOM 1193 C SER A 73 6.192 2.122 10.921 1.00 0.81 C ATOM 1194 O SER A 73 5.010 1.829 11.096 1.00 0.80 O ATOM 1195 CB SER A 73 7.561 2.244 13.028 1.00 0.90 C ATOM 1196 OG SER A 73 8.734 1.789 13.696 1.00 0.96 O ATOM 0 H SER A 73 9.285 1.939 11.290 1.00 0.85 H new ATOM 0 HA SER A 73 6.979 0.449 12.010 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.664 3.303 12.792 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.703 2.148 13.693 1.00 0.90 H new ATOM 0 HG SER A 73 8.871 2.315 14.512 1.00 0.96 H new ATOM 1202 N ALA A 74 6.591 3.001 10.007 1.00 0.80 N ATOM 1203 CA ALA A 74 5.646 3.702 9.155 1.00 0.79 C ATOM 1204 C ALA A 74 4.986 2.736 8.181 1.00 0.76 C ATOM 1205 O ALA A 74 3.772 2.778 7.985 1.00 0.75 O ATOM 1206 CB ALA A 74 6.334 4.835 8.408 1.00 0.82 C ATOM 0 H ALA A 74 7.568 3.243 9.840 1.00 0.80 H new ATOM 0 HA ALA A 74 4.870 4.134 9.786 1.00 0.79 H new ATOM 0 HB1 ALA A 74 5.609 5.347 7.776 1.00 0.82 H new ATOM 0 HB2 ALA A 74 6.753 5.541 9.124 1.00 0.82 H new ATOM 0 HB3 ALA A 74 7.133 4.429 7.788 1.00 0.82 H new ATOM 1212 N LEU A 75 5.785 1.857 7.582 1.00 0.77 N ATOM 1213 CA LEU A 75 5.258 0.868 6.644 1.00 0.78 C ATOM 1214 C LEU A 75 4.346 -0.101 7.384 1.00 0.77 C ATOM 1215 O LEU A 75 3.362 -0.597 6.832 1.00 0.77 O ATOM 1216 CB LEU A 75 6.397 0.105 5.959 1.00 0.83 C ATOM 1217 CG LEU A 75 6.226 -0.163 4.453 1.00 0.92 C ATOM 1218 CD1 LEU A 75 4.984 -1.003 4.178 1.00 1.13 C ATOM 1219 CD2 LEU A 75 6.155 1.148 3.682 1.00 1.15 C ATOM 0 H LEU A 75 6.793 1.808 7.727 1.00 0.77 H new ATOM 0 HA LEU A 75 4.687 1.386 5.873 1.00 0.78 H new ATOM 0 HB2 LEU A 75 7.321 0.665 6.105 1.00 0.83 H new ATOM 0 HB3 LEU A 75 6.521 -0.852 6.465 1.00 0.83 H new ATOM 0 HG LEU A 75 7.097 -0.725 4.115 1.00 0.92 H new ATOM 0 HD11 LEU A 75 4.891 -1.175 3.106 1.00 1.13 H new ATOM 0 HD12 LEU A 75 5.071 -1.960 4.693 1.00 1.13 H new ATOM 0 HD13 LEU A 75 4.101 -0.476 4.539 1.00 1.13 H new ATOM 0 HD21 LEU A 75 6.034 0.939 2.619 1.00 1.15 H new ATOM 0 HD22 LEU A 75 5.306 1.733 4.036 1.00 1.15 H new ATOM 0 HD23 LEU A 75 7.074 1.712 3.838 1.00 1.15 H new ATOM 1231 N SER A 76 4.669 -0.344 8.647 1.00 0.78 N ATOM 1232 CA SER A 76 3.881 -1.235 9.479 1.00 0.80 C ATOM 1233 C SER A 76 2.469 -0.676 9.674 1.00 0.76 C ATOM 1234 O SER A 76 1.509 -1.430 9.847 1.00 0.77 O ATOM 1235 CB SER A 76 4.575 -1.438 10.826 1.00 0.85 C ATOM 1236 OG SER A 76 5.902 -1.921 10.646 1.00 0.88 O ATOM 0 H SER A 76 5.476 0.067 9.117 1.00 0.78 H new ATOM 0 HA SER A 76 3.796 -2.201 8.982 1.00 0.80 H new ATOM 0 HB2 SER A 76 4.598 -0.496 11.374 1.00 0.85 H new ATOM 0 HB3 SER A 76 4.006 -2.144 11.430 1.00 0.85 H new ATOM 0 HG SER A 76 6.455 -1.218 10.245 1.00 0.88 H new ATOM 1242 N LYS A 77 2.349 0.653 9.623 1.00 0.75 N ATOM 1243 CA LYS A 77 1.057 1.311 9.778 1.00 0.74 C ATOM 1244 C LYS A 77 0.189 1.038 8.553 1.00 0.71 C ATOM 1245 O LYS A 77 -1.028 0.873 8.665 1.00 0.70 O ATOM 1246 CB LYS A 77 1.231 2.818 9.997 1.00 0.76 C ATOM 1247 CG LYS A 77 1.945 3.161 11.296 1.00 0.90 C ATOM 1248 CD LYS A 77 2.224 4.653 11.414 1.00 0.98 C ATOM 1249 CE LYS A 77 2.709 5.009 12.811 1.00 1.35 C ATOM 1250 NZ LYS A 77 3.262 6.389 12.891 1.00 1.61 N ATOM 0 H LYS A 77 3.132 1.290 9.476 1.00 0.75 H new ATOM 0 HA LYS A 77 0.561 0.905 10.660 1.00 0.74 H new ATOM 0 HB2 LYS A 77 1.792 3.237 9.161 1.00 0.76 H new ATOM 0 HB3 LYS A 77 0.250 3.294 9.993 1.00 0.76 H new ATOM 0 HG2 LYS A 77 1.337 2.838 12.141 1.00 0.90 H new ATOM 0 HG3 LYS A 77 2.884 2.611 11.350 1.00 0.90 H new ATOM 0 HD2 LYS A 77 2.974 4.945 10.679 1.00 0.98 H new ATOM 0 HD3 LYS A 77 1.318 5.215 11.186 1.00 0.98 H new ATOM 0 HE2 LYS A 77 1.882 4.912 13.514 1.00 1.35 H new ATOM 0 HE3 LYS A 77 3.474 4.296 13.118 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 3.578 6.581 13.863 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 4.069 6.478 12.241 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 2.526 7.074 12.625 1.00 1.61 H new ATOM 1264 N ILE A 78 0.832 0.967 7.386 1.00 0.71 N ATOM 1265 CA ILE A 78 0.138 0.685 6.134 1.00 0.71 C ATOM 1266 C ILE A 78 -0.403 -0.739 6.173 1.00 0.70 C ATOM 1267 O ILE A 78 -1.541 -1.001 5.774 1.00 0.69 O ATOM 1268 CB ILE A 78 1.080 0.853 4.912 1.00 0.77 C ATOM 1269 CG1 ILE A 78 1.370 2.339 4.647 1.00 1.04 C ATOM 1270 CG2 ILE A 78 0.487 0.188 3.672 1.00 0.84 C ATOM 1271 CD1 ILE A 78 0.226 3.080 3.984 1.00 1.33 C ATOM 0 H ILE A 78 1.838 1.102 7.285 1.00 0.71 H new ATOM 0 HA ILE A 78 -0.680 1.397 6.026 1.00 0.71 H new ATOM 0 HB ILE A 78 2.023 0.358 5.143 1.00 0.77 H new ATOM 0 HG12 ILE A 78 1.606 2.827 5.593 1.00 1.04 H new ATOM 0 HG13 ILE A 78 2.256 2.419 4.017 1.00 1.04 H new ATOM 0 HG21 ILE A 78 1.165 0.319 2.829 1.00 0.84 H new ATOM 0 HG22 ILE A 78 0.346 -0.876 3.862 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -0.474 0.645 3.439 1.00 0.84 H new ATOM 0 HD11 ILE A 78 0.508 4.122 3.831 1.00 1.33 H new ATOM 0 HD12 ILE A 78 0.003 2.619 3.022 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -0.656 3.033 4.622 1.00 1.33 H new ATOM 1283 N GLU A 79 0.417 -1.650 6.692 1.00 0.72 N ATOM 1284 CA GLU A 79 0.029 -3.048 6.814 1.00 0.74 C ATOM 1285 C GLU A 79 -1.199 -3.174 7.712 1.00 0.73 C ATOM 1286 O GLU A 79 -2.088 -3.985 7.454 1.00 0.74 O ATOM 1287 CB GLU A 79 1.181 -3.880 7.387 1.00 0.79 C ATOM 1288 CG GLU A 79 1.630 -5.020 6.483 1.00 1.00 C ATOM 1289 CD GLU A 79 2.466 -6.055 7.218 1.00 1.32 C ATOM 1290 OE1 GLU A 79 2.086 -6.441 8.341 1.00 1.95 O ATOM 1291 OE2 GLU A 79 3.495 -6.503 6.667 1.00 1.93 O ATOM 0 H GLU A 79 1.355 -1.442 7.034 1.00 0.72 H new ATOM 0 HA GLU A 79 -0.213 -3.426 5.821 1.00 0.74 H new ATOM 0 HB2 GLU A 79 2.031 -3.224 7.576 1.00 0.79 H new ATOM 0 HB3 GLU A 79 0.875 -4.291 8.349 1.00 0.79 H new ATOM 0 HG2 GLU A 79 0.753 -5.505 6.054 1.00 1.00 H new ATOM 0 HG3 GLU A 79 2.208 -4.614 5.653 1.00 1.00 H new ATOM 1298 N LYS A 80 -1.247 -2.351 8.755 1.00 0.72 N ATOM 1299 CA LYS A 80 -2.366 -2.365 9.686 1.00 0.73 C ATOM 1300 C LYS A 80 -3.660 -1.970 8.983 1.00 0.72 C ATOM 1301 O LYS A 80 -4.715 -2.541 9.248 1.00 0.75 O ATOM 1302 CB LYS A 80 -2.106 -1.424 10.861 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.199 -2.017 11.932 1.00 0.81 C ATOM 1304 CD LYS A 80 -1.134 -1.132 13.165 1.00 0.96 C ATOM 1305 CE LYS A 80 -2.502 -0.954 13.810 1.00 1.35 C ATOM 1306 NZ LYS A 80 -3.164 -2.254 14.106 1.00 1.71 N ATOM 0 H LYS A 80 -0.523 -1.667 8.975 1.00 0.72 H new ATOM 0 HA LYS A 80 -2.470 -3.381 10.067 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -1.657 -0.504 10.486 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.059 -1.152 11.315 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -1.564 -3.005 12.212 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.196 -2.151 11.527 1.00 0.81 H new ATOM 0 HD2 LYS A 80 -0.446 -1.568 13.889 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -0.732 -0.156 12.891 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -2.394 -0.386 14.734 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -3.139 -0.367 13.148 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -3.997 -2.090 14.706 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -3.461 -2.703 13.216 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 -2.497 -2.878 14.603 1.00 1.71 H new ATOM 1320 N LEU A 81 -3.568 -0.997 8.080 1.00 0.69 N ATOM 1321 CA LEU A 81 -4.730 -0.532 7.330 1.00 0.71 C ATOM 1322 C LEU A 81 -5.308 -1.667 6.495 1.00 0.72 C ATOM 1323 O LEU A 81 -6.523 -1.860 6.442 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.353 0.644 6.427 1.00 0.71 C ATOM 1325 CG LEU A 81 -4.956 1.997 6.822 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -6.477 1.954 6.766 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -4.493 2.413 8.210 1.00 0.94 C ATOM 0 H LEU A 81 -2.699 -0.515 7.850 1.00 0.69 H new ATOM 0 HA LEU A 81 -5.485 -0.196 8.041 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.267 0.739 6.417 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -4.662 0.411 5.408 1.00 0.71 H new ATOM 0 HG LEU A 81 -4.606 2.738 6.103 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -6.879 2.926 7.051 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.797 1.712 5.753 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -6.845 1.193 7.454 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -4.934 3.376 8.467 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -4.806 1.664 8.938 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -3.406 2.497 8.221 1.00 0.94 H new ATOM 1339 N ILE A 82 -4.422 -2.429 5.864 1.00 0.72 N ATOM 1340 CA ILE A 82 -4.832 -3.555 5.038 1.00 0.76 C ATOM 1341 C ILE A 82 -5.465 -4.638 5.909 1.00 0.80 C ATOM 1342 O ILE A 82 -6.475 -5.240 5.536 1.00 0.84 O ATOM 1343 CB ILE A 82 -3.635 -4.138 4.246 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -2.834 -3.003 3.601 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -4.123 -5.121 3.188 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -1.705 -3.465 2.700 1.00 0.77 C ATOM 0 H ILE A 82 -3.413 -2.286 5.910 1.00 0.72 H new ATOM 0 HA ILE A 82 -5.567 -3.197 4.318 1.00 0.76 H new ATOM 0 HB ILE A 82 -2.985 -4.677 4.935 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -3.514 -2.380 3.020 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -2.419 -2.374 4.389 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -3.269 -5.521 2.641 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -4.660 -5.938 3.670 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -4.790 -4.608 2.495 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.192 -2.597 2.286 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.000 -4.062 3.278 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.111 -4.068 1.888 1.00 0.77 H new ATOM 1358 N GLU A 83 -4.885 -4.856 7.084 1.00 0.80 N ATOM 1359 CA GLU A 83 -5.397 -5.849 8.018 1.00 0.86 C ATOM 1360 C GLU A 83 -6.754 -5.409 8.572 1.00 0.85 C ATOM 1361 O GLU A 83 -7.580 -6.239 8.945 1.00 0.90 O ATOM 1362 CB GLU A 83 -4.395 -6.066 9.160 1.00 0.90 C ATOM 1363 CG GLU A 83 -4.665 -7.309 9.997 1.00 1.24 C ATOM 1364 CD GLU A 83 -3.592 -7.560 11.042 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -3.185 -6.595 11.733 1.00 2.18 O ATOM 1366 OE2 GLU A 83 -3.148 -8.720 11.186 1.00 2.36 O ATOM 0 H GLU A 83 -4.058 -4.357 7.412 1.00 0.80 H new ATOM 0 HA GLU A 83 -5.531 -6.792 7.489 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -3.391 -6.135 8.740 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -4.409 -5.192 9.812 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -5.631 -7.205 10.492 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -4.735 -8.176 9.340 1.00 1.24 H new ATOM 1373 N THR A 84 -6.981 -4.098 8.606 1.00 0.82 N ATOM 1374 CA THR A 84 -8.241 -3.548 9.097 1.00 0.84 C ATOM 1375 C THR A 84 -9.351 -3.728 8.059 1.00 0.89 C ATOM 1376 O THR A 84 -10.529 -3.859 8.401 1.00 0.92 O ATOM 1377 CB THR A 84 -8.092 -2.053 9.462 1.00 0.83 C ATOM 1378 OG1 THR A 84 -6.989 -1.879 10.366 1.00 0.84 O ATOM 1379 CG2 THR A 84 -9.362 -1.512 10.107 1.00 0.85 C ATOM 0 H THR A 84 -6.307 -3.396 8.299 1.00 0.82 H new ATOM 0 HA THR A 84 -8.512 -4.096 9.999 1.00 0.84 H new ATOM 0 HB THR A 84 -7.909 -1.499 8.541 1.00 0.83 H new ATOM 0 HG1 THR A 84 -6.146 -2.013 9.884 1.00 0.84 H new ATOM 0 HG21 THR A 84 -9.225 -0.459 10.352 1.00 0.85 H new ATOM 0 HG22 THR A 84 -10.196 -1.618 9.413 1.00 0.85 H new ATOM 0 HG23 THR A 84 -9.574 -2.072 11.018 1.00 0.85 H new ATOM 1387 N LEU A 85 -8.963 -3.747 6.794 1.00 0.93 N ATOM 1388 CA LEU A 85 -9.917 -3.918 5.705 1.00 1.01 C ATOM 1389 C LEU A 85 -10.342 -5.380 5.575 1.00 1.08 C ATOM 1390 O LEU A 85 -11.515 -5.680 5.330 1.00 1.17 O ATOM 1391 CB LEU A 85 -9.312 -3.428 4.387 1.00 1.04 C ATOM 1392 CG LEU A 85 -8.990 -1.930 4.334 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -8.220 -1.596 3.067 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -10.271 -1.104 4.413 1.00 1.13 C ATOM 0 H LEU A 85 -7.993 -3.646 6.494 1.00 0.93 H new ATOM 0 HA LEU A 85 -10.801 -3.323 5.933 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -8.396 -3.987 4.196 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -10.004 -3.664 3.578 1.00 1.04 H new ATOM 0 HG LEU A 85 -8.366 -1.682 5.193 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -8.000 -0.529 3.046 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -7.287 -2.159 3.049 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -8.820 -1.860 2.196 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -10.023 -0.043 4.374 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -10.919 -1.356 3.574 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -10.787 -1.322 5.348 1.00 1.13 H new ATOM 1406 N SER A 86 -9.385 -6.283 5.726 1.00 1.18 N ATOM 1407 CA SER A 86 -9.656 -7.710 5.632 1.00 1.31 C ATOM 1408 C SER A 86 -8.665 -8.492 6.495 1.00 1.73 C ATOM 1409 O SER A 86 -7.579 -8.851 6.040 1.00 2.31 O ATOM 1410 CB SER A 86 -9.593 -8.169 4.173 1.00 1.71 C ATOM 1411 OG SER A 86 -10.648 -7.591 3.419 1.00 1.97 O ATOM 0 H SER A 86 -8.410 -6.052 5.915 1.00 1.18 H new ATOM 0 HA SER A 86 -10.662 -7.904 6.004 1.00 1.31 H new ATOM 0 HB2 SER A 86 -8.633 -7.888 3.739 1.00 1.71 H new ATOM 0 HB3 SER A 86 -9.658 -9.256 4.125 1.00 1.71 H new ATOM 0 HG SER A 86 -11.168 -6.989 3.992 1.00 1.97 H new ATOM 1914 N LYS B 10 15.910 12.717 1.268 1.00 1.52 N ATOM 1915 CA LYS B 10 15.341 12.138 2.483 1.00 1.44 C ATOM 1916 C LYS B 10 14.030 12.824 2.874 1.00 1.38 C ATOM 1917 O LYS B 10 13.052 12.163 3.223 1.00 1.32 O ATOM 1918 CB LYS B 10 16.348 12.243 3.632 1.00 1.48 C ATOM 1919 CG LYS B 10 15.983 11.404 4.850 1.00 1.54 C ATOM 1920 CD LYS B 10 16.984 11.584 5.982 1.00 1.71 C ATOM 1921 CE LYS B 10 16.976 13.005 6.524 1.00 2.08 C ATOM 1922 NZ LYS B 10 17.650 13.093 7.844 1.00 2.41 N ATOM 0 HA LYS B 10 15.122 11.089 2.283 1.00 1.44 H new ATOM 0 HB2 LYS B 10 17.329 11.935 3.271 1.00 1.48 H new ATOM 0 HB3 LYS B 10 16.433 13.287 3.934 1.00 1.48 H new ATOM 0 HG2 LYS B 10 14.988 11.682 5.197 1.00 1.54 H new ATOM 0 HG3 LYS B 10 15.940 10.352 4.567 1.00 1.54 H new ATOM 0 HD2 LYS B 10 16.751 10.887 6.787 1.00 1.71 H new ATOM 0 HD3 LYS B 10 17.984 11.337 5.625 1.00 1.71 H new ATOM 0 HE2 LYS B 10 17.474 13.667 5.816 1.00 2.08 H new ATOM 0 HE3 LYS B 10 15.947 13.353 6.617 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 17.928 14.078 8.027 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 16.998 12.773 8.589 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 18.497 12.489 7.842 1.00 2.41 H new ATOM 1936 N GLU B 11 14.021 14.147 2.810 1.00 1.42 N ATOM 1937 CA GLU B 11 12.839 14.922 3.163 1.00 1.39 C ATOM 1938 C GLU B 11 11.704 14.674 2.170 1.00 1.36 C ATOM 1939 O GLU B 11 10.536 14.593 2.553 1.00 1.30 O ATOM 1940 CB GLU B 11 13.181 16.412 3.210 1.00 1.47 C ATOM 1941 CG GLU B 11 12.095 17.273 3.824 1.00 1.48 C ATOM 1942 CD GLU B 11 12.333 18.747 3.596 1.00 1.62 C ATOM 1943 OE1 GLU B 11 13.143 19.347 4.332 1.00 1.72 O ATOM 1944 OE2 GLU B 11 11.721 19.310 2.669 1.00 1.90 O ATOM 0 H GLU B 11 14.820 14.708 2.516 1.00 1.42 H new ATOM 0 HA GLU B 11 12.504 14.601 4.150 1.00 1.39 H new ATOM 0 HB2 GLU B 11 14.102 16.546 3.778 1.00 1.47 H new ATOM 0 HB3 GLU B 11 13.378 16.761 2.197 1.00 1.47 H new ATOM 0 HG2 GLU B 11 11.130 16.993 3.401 1.00 1.48 H new ATOM 0 HG3 GLU B 11 12.042 17.077 4.895 1.00 1.48 H new ATOM 1951 N LEU B 12 12.062 14.539 0.901 1.00 1.43 N ATOM 1952 CA LEU B 12 11.089 14.304 -0.159 1.00 1.45 C ATOM 1953 C LEU B 12 10.318 13.015 0.078 1.00 1.36 C ATOM 1954 O LEU B 12 9.088 13.022 0.119 1.00 1.32 O ATOM 1955 CB LEU B 12 11.786 14.246 -1.522 1.00 1.57 C ATOM 1956 CG LEU B 12 10.862 13.981 -2.713 1.00 1.73 C ATOM 1957 CD1 LEU B 12 10.089 15.240 -3.075 1.00 1.89 C ATOM 1958 CD2 LEU B 12 11.658 13.480 -3.907 1.00 1.89 C ATOM 0 H LEU B 12 13.028 14.589 0.577 1.00 1.43 H new ATOM 0 HA LEU B 12 10.383 15.135 -0.151 1.00 1.45 H new ATOM 0 HB2 LEU B 12 12.305 15.190 -1.688 1.00 1.57 H new ATOM 0 HB3 LEU B 12 12.546 13.465 -1.491 1.00 1.57 H new ATOM 0 HG LEU B 12 10.148 13.207 -2.430 1.00 1.73 H new ATOM 0 HD11 LEU B 12 9.437 15.035 -3.924 1.00 1.89 H new ATOM 0 HD12 LEU B 12 9.487 15.555 -2.223 1.00 1.89 H new ATOM 0 HD13 LEU B 12 10.789 16.033 -3.339 1.00 1.89 H new ATOM 0 HD21 LEU B 12 10.983 13.297 -4.743 1.00 1.89 H new ATOM 0 HD22 LEU B 12 12.396 14.230 -4.193 1.00 1.89 H new ATOM 0 HD23 LEU B 12 12.167 12.553 -3.642 1.00 1.89 H new ATOM 1970 N LEU B 13 11.042 11.914 0.256 1.00 1.35 N ATOM 1971 CA LEU B 13 10.407 10.622 0.473 1.00 1.30 C ATOM 1972 C LEU B 13 9.550 10.634 1.738 1.00 1.18 C ATOM 1973 O LEU B 13 8.472 10.042 1.770 1.00 1.15 O ATOM 1974 CB LEU B 13 11.448 9.489 0.521 1.00 1.35 C ATOM 1975 CG LEU B 13 12.448 9.516 1.685 1.00 1.32 C ATOM 1976 CD1 LEU B 13 11.961 8.637 2.830 1.00 1.48 C ATOM 1977 CD2 LEU B 13 13.818 9.054 1.211 1.00 1.50 C ATOM 0 H LEU B 13 12.062 11.892 0.254 1.00 1.35 H new ATOM 0 HA LEU B 13 9.749 10.432 -0.375 1.00 1.30 H new ATOM 0 HB2 LEU B 13 10.915 8.539 0.554 1.00 1.35 H new ATOM 0 HB3 LEU B 13 12.012 9.506 -0.412 1.00 1.35 H new ATOM 0 HG LEU B 13 12.529 10.541 2.048 1.00 1.32 H new ATOM 0 HD11 LEU B 13 12.683 8.669 3.646 1.00 1.48 H new ATOM 0 HD12 LEU B 13 10.997 9.002 3.184 1.00 1.48 H new ATOM 0 HD13 LEU B 13 11.854 7.610 2.480 1.00 1.48 H new ATOM 0 HD21 LEU B 13 14.519 9.078 2.046 1.00 1.50 H new ATOM 0 HD22 LEU B 13 13.746 8.037 0.826 1.00 1.50 H new ATOM 0 HD23 LEU B 13 14.172 9.716 0.421 1.00 1.50 H new ATOM 1989 N LEU B 14 10.019 11.332 2.765 1.00 1.15 N ATOM 1990 CA LEU B 14 9.299 11.426 4.033 1.00 1.07 C ATOM 1991 C LEU B 14 7.931 12.078 3.843 1.00 1.07 C ATOM 1992 O LEU B 14 6.914 11.554 4.295 1.00 1.02 O ATOM 1993 CB LEU B 14 10.125 12.236 5.039 1.00 1.08 C ATOM 1994 CG LEU B 14 9.421 12.580 6.354 1.00 1.04 C ATOM 1995 CD1 LEU B 14 9.286 11.352 7.236 1.00 1.06 C ATOM 1996 CD2 LEU B 14 10.171 13.683 7.085 1.00 1.14 C ATOM 0 H LEU B 14 10.900 11.845 2.746 1.00 1.15 H new ATOM 0 HA LEU B 14 9.145 10.416 4.414 1.00 1.07 H new ATOM 0 HB2 LEU B 14 11.032 11.677 5.270 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.436 13.165 4.561 1.00 1.08 H new ATOM 0 HG LEU B 14 8.419 12.938 6.119 1.00 1.04 H new ATOM 0 HD11 LEU B 14 8.783 11.624 8.164 1.00 1.06 H new ATOM 0 HD12 LEU B 14 8.702 10.593 6.716 1.00 1.06 H new ATOM 0 HD13 LEU B 14 10.276 10.956 7.463 1.00 1.06 H new ATOM 0 HD21 LEU B 14 9.657 13.916 8.018 1.00 1.14 H new ATOM 0 HD22 LEU B 14 11.186 13.350 7.303 1.00 1.14 H new ATOM 0 HD23 LEU B 14 10.208 14.575 6.459 1.00 1.14 H new ATOM 2008 N LYS B 15 7.914 13.212 3.153 1.00 1.15 N ATOM 2009 CA LYS B 15 6.681 13.951 2.913 1.00 1.18 C ATOM 2010 C LYS B 15 5.738 13.201 1.974 1.00 1.13 C ATOM 2011 O LYS B 15 4.521 13.254 2.143 1.00 1.11 O ATOM 2012 CB LYS B 15 6.996 15.334 2.351 1.00 1.32 C ATOM 2013 CG LYS B 15 7.284 16.363 3.431 1.00 1.46 C ATOM 2014 CD LYS B 15 8.567 17.126 3.155 1.00 1.55 C ATOM 2015 CE LYS B 15 8.361 18.235 2.136 1.00 1.76 C ATOM 2016 NZ LYS B 15 9.087 19.475 2.521 1.00 1.80 N ATOM 0 H LYS B 15 8.746 13.642 2.748 1.00 1.15 H new ATOM 0 HA LYS B 15 6.172 14.058 3.871 1.00 1.18 H new ATOM 0 HB2 LYS B 15 7.857 15.262 1.686 1.00 1.32 H new ATOM 0 HB3 LYS B 15 6.155 15.675 1.747 1.00 1.32 H new ATOM 0 HG2 LYS B 15 6.452 17.064 3.497 1.00 1.46 H new ATOM 0 HG3 LYS B 15 7.358 15.864 4.397 1.00 1.46 H new ATOM 0 HD2 LYS B 15 8.942 17.553 4.085 1.00 1.55 H new ATOM 0 HD3 LYS B 15 9.328 16.436 2.791 1.00 1.55 H new ATOM 0 HE2 LYS B 15 8.706 17.900 1.158 1.00 1.76 H new ATOM 0 HE3 LYS B 15 7.297 18.450 2.042 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 8.632 20.297 2.074 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 9.062 19.585 3.555 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 10.075 19.412 2.203 1.00 1.80 H new ATOM 2030 N LYS B 16 6.295 12.492 0.998 1.00 1.14 N ATOM 2031 CA LYS B 16 5.475 11.739 0.052 1.00 1.14 C ATOM 2032 C LYS B 16 4.751 10.596 0.756 1.00 1.03 C ATOM 2033 O LYS B 16 3.622 10.253 0.405 1.00 1.01 O ATOM 2034 CB LYS B 16 6.325 11.198 -1.106 1.00 1.22 C ATOM 2035 CG LYS B 16 6.936 12.285 -1.988 1.00 1.31 C ATOM 2036 CD LYS B 16 5.878 13.183 -2.619 1.00 1.30 C ATOM 2037 CE LYS B 16 4.975 12.410 -3.566 1.00 1.45 C ATOM 2038 NZ LYS B 16 4.085 13.306 -4.354 1.00 1.65 N ATOM 0 H LYS B 16 7.300 12.422 0.841 1.00 1.14 H new ATOM 0 HA LYS B 16 4.731 12.420 -0.360 1.00 1.14 H new ATOM 0 HB2 LYS B 16 7.127 10.582 -0.698 1.00 1.22 H new ATOM 0 HB3 LYS B 16 5.706 10.548 -1.724 1.00 1.22 H new ATOM 0 HG2 LYS B 16 7.616 12.893 -1.392 1.00 1.31 H new ATOM 0 HG3 LYS B 16 7.530 11.820 -2.775 1.00 1.31 H new ATOM 0 HD2 LYS B 16 5.275 13.641 -1.835 1.00 1.30 H new ATOM 0 HD3 LYS B 16 6.365 13.993 -3.161 1.00 1.30 H new ATOM 0 HE2 LYS B 16 5.587 11.819 -4.247 1.00 1.45 H new ATOM 0 HE3 LYS B 16 4.367 11.709 -2.994 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 3.488 12.735 -4.985 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 3.481 13.852 -3.707 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 4.663 13.958 -4.921 1.00 1.65 H new ATOM 2052 N ILE B 17 5.395 10.027 1.766 1.00 0.98 N ATOM 2053 CA ILE B 17 4.805 8.935 2.526 1.00 0.92 C ATOM 2054 C ILE B 17 3.808 9.479 3.551 1.00 0.89 C ATOM 2055 O ILE B 17 2.819 8.822 3.878 1.00 0.86 O ATOM 2056 CB ILE B 17 5.897 8.086 3.215 1.00 0.94 C ATOM 2057 CG1 ILE B 17 6.762 7.412 2.152 1.00 1.00 C ATOM 2058 CG2 ILE B 17 5.282 7.043 4.142 1.00 1.00 C ATOM 2059 CD1 ILE B 17 8.124 6.985 2.650 1.00 0.96 C ATOM 0 H ILE B 17 6.326 10.304 2.078 1.00 0.98 H new ATOM 0 HA ILE B 17 4.268 8.286 1.834 1.00 0.92 H new ATOM 0 HB ILE B 17 6.517 8.743 3.824 1.00 0.94 H new ATOM 0 HG12 ILE B 17 6.235 6.538 1.770 1.00 1.00 H new ATOM 0 HG13 ILE B 17 6.891 8.098 1.314 1.00 1.00 H new ATOM 0 HG21 ILE B 17 6.075 6.461 4.612 1.00 1.00 H new ATOM 0 HG22 ILE B 17 4.693 7.542 4.911 1.00 1.00 H new ATOM 0 HG23 ILE B 17 4.638 6.379 3.566 1.00 1.00 H new ATOM 0 HD11 ILE B 17 8.678 6.515 1.837 1.00 0.96 H new ATOM 0 HD12 ILE B 17 8.672 7.858 3.005 1.00 0.96 H new ATOM 0 HD13 ILE B 17 8.006 6.274 3.468 1.00 0.96 H new ATOM 2071 N ASP B 18 4.063 10.690 4.034 1.00 0.94 N ATOM 2072 CA ASP B 18 3.176 11.332 5.007 1.00 0.99 C ATOM 2073 C ASP B 18 1.793 11.551 4.399 1.00 0.96 C ATOM 2074 O ASP B 18 0.774 11.211 4.996 1.00 0.94 O ATOM 2075 CB ASP B 18 3.757 12.666 5.478 1.00 1.14 C ATOM 2076 CG ASP B 18 2.948 13.292 6.602 1.00 1.29 C ATOM 2077 OD1 ASP B 18 3.220 12.986 7.783 1.00 1.59 O ATOM 2078 OD2 ASP B 18 2.036 14.101 6.317 1.00 1.88 O ATOM 0 H ASP B 18 4.874 11.249 3.770 1.00 0.94 H new ATOM 0 HA ASP B 18 3.085 10.672 5.870 1.00 0.99 H new ATOM 0 HB2 ASP B 18 4.782 12.513 5.815 1.00 1.14 H new ATOM 0 HB3 ASP B 18 3.798 13.357 4.636 1.00 1.14 H new ATOM 2083 N SER B 19 1.765 12.117 3.200 1.00 0.98 N ATOM 2084 CA SER B 19 0.509 12.365 2.503 1.00 0.99 C ATOM 2085 C SER B 19 -0.125 11.046 2.073 1.00 0.91 C ATOM 2086 O SER B 19 -1.348 10.928 1.972 1.00 0.90 O ATOM 2087 CB SER B 19 0.745 13.241 1.275 1.00 1.10 C ATOM 2088 OG SER B 19 1.659 14.287 1.559 1.00 1.21 O ATOM 0 H SER B 19 2.597 12.413 2.689 1.00 0.98 H new ATOM 0 HA SER B 19 -0.165 12.883 3.186 1.00 0.99 H new ATOM 0 HB2 SER B 19 1.130 12.630 0.458 1.00 1.10 H new ATOM 0 HB3 SER B 19 -0.202 13.663 0.939 1.00 1.10 H new ATOM 0 HG SER B 19 1.793 14.831 0.755 1.00 1.21 H new ATOM 2094 N LEU B 20 0.731 10.060 1.820 1.00 0.87 N ATOM 2095 CA LEU B 20 0.307 8.735 1.387 1.00 0.84 C ATOM 2096 C LEU B 20 -0.678 8.105 2.371 1.00 0.80 C ATOM 2097 O LEU B 20 -1.779 7.708 1.987 1.00 0.79 O ATOM 2098 CB LEU B 20 1.539 7.839 1.238 1.00 0.86 C ATOM 2099 CG LEU B 20 1.368 6.615 0.347 1.00 0.91 C ATOM 2100 CD1 LEU B 20 1.726 6.970 -1.084 1.00 1.07 C ATOM 2101 CD2 LEU B 20 2.227 5.481 0.872 1.00 1.35 C ATOM 0 H LEU B 20 1.742 10.160 1.910 1.00 0.87 H new ATOM 0 HA LEU B 20 -0.205 8.835 0.430 1.00 0.84 H new ATOM 0 HB2 LEU B 20 2.357 8.441 0.842 1.00 0.86 H new ATOM 0 HB3 LEU B 20 1.842 7.503 2.230 1.00 0.86 H new ATOM 0 HG LEU B 20 0.329 6.286 0.361 1.00 0.91 H new ATOM 0 HD11 LEU B 20 1.603 6.092 -1.718 1.00 1.07 H new ATOM 0 HD12 LEU B 20 1.071 7.767 -1.436 1.00 1.07 H new ATOM 0 HD13 LEU B 20 2.762 7.306 -1.127 1.00 1.07 H new ATOM 0 HD21 LEU B 20 2.104 4.606 0.234 1.00 1.35 H new ATOM 0 HD22 LEU B 20 3.273 5.787 0.871 1.00 1.35 H new ATOM 0 HD23 LEU B 20 1.922 5.234 1.889 1.00 1.35 H new ATOM 2113 N ILE B 21 -0.297 8.049 3.643 1.00 0.81 N ATOM 2114 CA ILE B 21 -1.158 7.459 4.668 1.00 0.82 C ATOM 2115 C ILE B 21 -2.427 8.283 4.876 1.00 0.81 C ATOM 2116 O ILE B 21 -3.474 7.741 5.223 1.00 0.81 O ATOM 2117 CB ILE B 21 -0.425 7.285 6.016 1.00 0.88 C ATOM 2118 CG1 ILE B 21 0.293 8.575 6.427 1.00 1.19 C ATOM 2119 CG2 ILE B 21 0.554 6.128 5.927 1.00 1.21 C ATOM 2120 CD1 ILE B 21 0.756 8.583 7.870 1.00 1.38 C ATOM 0 H ILE B 21 0.595 8.402 3.990 1.00 0.81 H new ATOM 0 HA ILE B 21 -1.435 6.471 4.301 1.00 0.82 H new ATOM 0 HB ILE B 21 -1.165 7.062 6.785 1.00 0.88 H new ATOM 0 HG12 ILE B 21 1.156 8.723 5.777 1.00 1.19 H new ATOM 0 HG13 ILE B 21 -0.376 9.420 6.265 1.00 1.19 H new ATOM 0 HG21 ILE B 21 1.067 6.011 6.882 1.00 1.21 H new ATOM 0 HG22 ILE B 21 0.013 5.211 5.691 1.00 1.21 H new ATOM 0 HG23 ILE B 21 1.285 6.329 5.144 1.00 1.21 H new ATOM 0 HD11 ILE B 21 1.255 9.528 8.087 1.00 1.38 H new ATOM 0 HD12 ILE B 21 -0.105 8.468 8.529 1.00 1.38 H new ATOM 0 HD13 ILE B 21 1.451 7.760 8.034 1.00 1.38 H new ATOM 2132 N GLU B 22 -2.336 9.590 4.653 1.00 0.83 N ATOM 2133 CA GLU B 22 -3.488 10.475 4.811 1.00 0.86 C ATOM 2134 C GLU B 22 -4.586 10.128 3.813 1.00 0.83 C ATOM 2135 O GLU B 22 -5.758 10.033 4.174 1.00 0.84 O ATOM 2136 CB GLU B 22 -3.077 11.933 4.626 1.00 0.94 C ATOM 2137 CG GLU B 22 -2.226 12.474 5.754 1.00 1.11 C ATOM 2138 CD GLU B 22 -1.922 13.949 5.594 1.00 1.55 C ATOM 2139 OE1 GLU B 22 -1.962 14.452 4.449 1.00 1.98 O ATOM 2140 OE2 GLU B 22 -1.645 14.614 6.615 1.00 1.95 O ATOM 0 H GLU B 22 -1.479 10.061 4.363 1.00 0.83 H new ATOM 0 HA GLU B 22 -3.873 10.336 5.821 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -2.528 12.030 3.690 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -3.974 12.545 4.534 1.00 0.94 H new ATOM 0 HG2 GLU B 22 -2.739 12.313 6.702 1.00 1.11 H new ATOM 0 HG3 GLU B 22 -1.291 11.916 5.799 1.00 1.11 H new ATOM 2147 N ALA B 23 -4.193 9.940 2.561 1.00 0.82 N ATOM 2148 CA ALA B 23 -5.138 9.609 1.503 1.00 0.83 C ATOM 2149 C ALA B 23 -5.797 8.264 1.766 1.00 0.79 C ATOM 2150 O ALA B 23 -7.014 8.134 1.674 1.00 0.80 O ATOM 2151 CB ALA B 23 -4.446 9.609 0.148 1.00 0.86 C ATOM 0 H ALA B 23 -3.223 10.011 2.252 1.00 0.82 H new ATOM 0 HA ALA B 23 -5.916 10.372 1.493 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -5.168 9.360 -0.629 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -4.029 10.597 -0.048 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -3.644 8.870 0.149 1.00 0.86 H new ATOM 2157 N ILE B 24 -4.986 7.274 2.119 1.00 0.78 N ATOM 2158 CA ILE B 24 -5.487 5.931 2.400 1.00 0.78 C ATOM 2159 C ILE B 24 -6.423 5.941 3.612 1.00 0.74 C ATOM 2160 O ILE B 24 -7.441 5.241 3.633 1.00 0.74 O ATOM 2161 CB ILE B 24 -4.312 4.941 2.599 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -3.624 4.679 1.254 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -4.792 3.635 3.211 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -2.110 4.624 1.333 1.00 0.89 C ATOM 0 H ILE B 24 -3.976 7.375 2.218 1.00 0.78 H new ATOM 0 HA ILE B 24 -6.066 5.592 1.541 1.00 0.78 H new ATOM 0 HB ILE B 24 -3.596 5.388 3.289 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -3.990 3.736 0.848 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -3.912 5.461 0.552 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -3.946 2.960 3.339 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -5.247 3.834 4.181 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -5.528 3.173 2.552 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -1.701 4.435 0.341 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -1.730 5.575 1.707 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -1.810 3.823 2.008 1.00 0.89 H new ATOM 2176 N LYS B 25 -6.092 6.762 4.607 1.00 0.74 N ATOM 2177 CA LYS B 25 -6.913 6.883 5.804 1.00 0.75 C ATOM 2178 C LYS B 25 -8.255 7.528 5.459 1.00 0.78 C ATOM 2179 O LYS B 25 -9.279 7.222 6.062 1.00 0.80 O ATOM 2180 CB LYS B 25 -6.185 7.701 6.878 1.00 0.79 C ATOM 2181 CG LYS B 25 -7.010 7.940 8.138 1.00 0.88 C ATOM 2182 CD LYS B 25 -7.321 6.633 8.855 1.00 1.17 C ATOM 2183 CE LYS B 25 -8.753 6.597 9.358 1.00 1.48 C ATOM 2184 NZ LYS B 25 -9.019 7.659 10.355 1.00 1.72 N ATOM 0 H LYS B 25 -5.260 7.352 4.605 1.00 0.74 H new ATOM 0 HA LYS B 25 -7.096 5.885 6.201 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -5.264 7.186 7.151 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -5.898 8.664 6.455 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -6.467 8.605 8.810 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -7.941 8.443 7.875 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -7.152 5.797 8.177 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -6.637 6.506 9.694 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -9.436 6.711 8.516 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -8.956 5.623 9.803 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -9.975 7.536 10.747 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -8.320 7.598 11.122 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -8.950 8.590 9.897 1.00 1.72 H new ATOM 2198 N LYS B 26 -8.243 8.424 4.481 1.00 0.80 N ATOM 2199 CA LYS B 26 -9.458 9.094 4.051 1.00 0.85 C ATOM 2200 C LYS B 26 -10.369 8.115 3.328 1.00 0.83 C ATOM 2201 O LYS B 26 -11.583 8.177 3.465 1.00 0.86 O ATOM 2202 CB LYS B 26 -9.123 10.278 3.143 1.00 0.91 C ATOM 2203 CG LYS B 26 -9.240 11.629 3.832 1.00 1.01 C ATOM 2204 CD LYS B 26 -10.695 12.028 4.041 1.00 1.13 C ATOM 2205 CE LYS B 26 -11.071 12.060 5.518 1.00 1.38 C ATOM 2206 NZ LYS B 26 -12.486 12.473 5.722 1.00 1.39 N ATOM 0 H LYS B 26 -7.404 8.702 3.972 1.00 0.80 H new ATOM 0 HA LYS B 26 -9.978 9.471 4.932 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -8.107 10.159 2.766 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -9.788 10.262 2.279 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -8.730 11.592 4.795 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -8.736 12.388 3.233 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -10.869 13.010 3.601 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -11.343 11.325 3.517 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -10.914 11.073 5.954 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -10.412 12.750 6.045 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -12.784 12.227 6.688 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -12.571 13.500 5.585 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -13.094 11.981 5.036 1.00 1.39 H new ATOM 2220 N ILE B 27 -9.764 7.202 2.576 1.00 0.80 N ATOM 2221 CA ILE B 27 -10.513 6.200 1.826 1.00 0.81 C ATOM 2222 C ILE B 27 -11.402 5.362 2.748 1.00 0.80 C ATOM 2223 O ILE B 27 -12.612 5.269 2.543 1.00 0.82 O ATOM 2224 CB ILE B 27 -9.567 5.262 1.037 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -8.707 6.060 0.051 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -10.357 4.191 0.294 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -9.489 6.701 -1.080 1.00 1.04 C ATOM 0 H ILE B 27 -8.752 7.135 2.469 1.00 0.80 H new ATOM 0 HA ILE B 27 -11.144 6.741 1.121 1.00 0.81 H new ATOM 0 HB ILE B 27 -8.910 4.772 1.755 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -8.176 6.839 0.598 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -7.952 5.398 -0.374 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -9.670 3.545 -0.252 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -10.924 3.595 1.009 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -11.043 4.666 -0.407 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -8.806 7.246 -1.731 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -9.998 5.927 -1.654 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -10.225 7.391 -0.668 1.00 1.04 H new ATOM 2239 N ILE B 28 -10.797 4.775 3.776 1.00 0.78 N ATOM 2240 CA ILE B 28 -11.533 3.939 4.719 1.00 0.78 C ATOM 2241 C ILE B 28 -12.574 4.755 5.494 1.00 0.81 C ATOM 2242 O ILE B 28 -13.666 4.264 5.794 1.00 0.84 O ATOM 2243 CB ILE B 28 -10.575 3.219 5.703 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -11.353 2.258 6.607 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -9.795 4.224 6.545 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -10.470 1.462 7.543 1.00 0.97 C ATOM 0 H ILE B 28 -9.801 4.862 3.977 1.00 0.78 H new ATOM 0 HA ILE B 28 -12.057 3.182 4.135 1.00 0.78 H new ATOM 0 HB ILE B 28 -9.861 2.643 5.114 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -12.072 2.827 7.195 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -11.924 1.569 5.985 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -9.131 3.691 7.226 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -9.205 4.866 5.891 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -10.491 4.834 7.121 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.087 0.803 8.153 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -9.767 0.866 6.961 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -9.918 2.144 8.190 1.00 0.97 H new ATOM 2258 N ALA B 29 -12.241 6.007 5.788 1.00 0.82 N ATOM 2259 CA ALA B 29 -13.132 6.887 6.533 1.00 0.87 C ATOM 2260 C ALA B 29 -14.402 7.199 5.744 1.00 0.90 C ATOM 2261 O ALA B 29 -15.512 7.082 6.265 1.00 0.93 O ATOM 2262 CB ALA B 29 -12.410 8.172 6.906 1.00 0.90 C ATOM 0 H ALA B 29 -11.356 6.436 5.520 1.00 0.82 H new ATOM 0 HA ALA B 29 -13.429 6.368 7.444 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -13.086 8.821 7.462 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -11.543 7.936 7.524 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -12.082 8.681 6.000 1.00 0.90 H new ATOM 2268 N GLU B 30 -14.232 7.582 4.483 1.00 0.91 N ATOM 2269 CA GLU B 30 -15.360 7.916 3.619 1.00 0.95 C ATOM 2270 C GLU B 30 -16.307 6.731 3.468 1.00 0.95 C ATOM 2271 O GLU B 30 -17.526 6.899 3.477 1.00 0.96 O ATOM 2272 CB GLU B 30 -14.871 8.365 2.239 1.00 1.00 C ATOM 2273 CG GLU B 30 -14.050 9.648 2.259 1.00 1.02 C ATOM 2274 CD GLU B 30 -14.552 10.648 3.281 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -15.600 11.276 3.043 1.00 1.38 O ATOM 2276 OE2 GLU B 30 -13.897 10.809 4.329 1.00 1.18 O ATOM 0 H GLU B 30 -13.320 7.669 4.035 1.00 0.91 H new ATOM 0 HA GLU B 30 -15.902 8.737 4.089 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -14.270 7.568 1.801 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -15.734 8.508 1.588 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -13.010 9.405 2.475 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -14.072 10.104 1.269 1.00 1.02 H new ATOM 2283 N PHE B 31 -15.736 5.539 3.336 1.00 0.96 N ATOM 2284 CA PHE B 31 -16.523 4.318 3.186 1.00 0.99 C ATOM 2285 C PHE B 31 -17.531 4.170 4.325 1.00 0.97 C ATOM 2286 O PHE B 31 -18.709 3.908 4.089 1.00 1.01 O ATOM 2287 CB PHE B 31 -15.608 3.090 3.157 1.00 1.01 C ATOM 2288 CG PHE B 31 -15.247 2.621 1.774 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -14.588 3.460 0.887 1.00 1.68 C ATOM 2290 CD2 PHE B 31 -15.558 1.333 1.364 1.00 1.50 C ATOM 2291 CE1 PHE B 31 -14.248 3.024 -0.380 1.00 1.83 C ATOM 2292 CE2 PHE B 31 -15.221 0.895 0.097 1.00 1.59 C ATOM 2293 CZ PHE B 31 -14.566 1.741 -0.774 1.00 1.37 C ATOM 0 H PHE B 31 -14.727 5.391 3.330 1.00 0.96 H new ATOM 0 HA PHE B 31 -17.065 4.389 2.243 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -14.692 3.321 3.701 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -16.097 2.274 3.689 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -14.338 4.466 1.190 1.00 1.68 H new ATOM 0 HD2 PHE B 31 -16.069 0.665 2.042 1.00 1.50 H new ATOM 0 HE1 PHE B 31 -13.734 3.687 -1.060 1.00 1.83 H new ATOM 0 HE2 PHE B 31 -15.470 -0.110 -0.211 1.00 1.59 H new ATOM 0 HZ PHE B 31 -14.302 1.399 -1.764 1.00 1.37 H new ATOM 2303 N ASP B 32 -17.061 4.371 5.552 1.00 0.94 N ATOM 2304 CA ASP B 32 -17.907 4.245 6.739 1.00 0.93 C ATOM 2305 C ASP B 32 -19.009 5.301 6.758 1.00 0.93 C ATOM 2306 O ASP B 32 -20.173 4.996 7.043 1.00 0.96 O ATOM 2307 CB ASP B 32 -17.053 4.370 8.002 1.00 0.94 C ATOM 2308 CG ASP B 32 -17.832 4.070 9.263 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -17.984 2.879 9.603 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -18.277 5.026 9.933 1.00 1.54 O ATOM 0 H ASP B 32 -16.093 4.623 5.753 1.00 0.94 H new ATOM 0 HA ASP B 32 -18.380 3.264 6.708 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -16.206 3.688 7.932 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -16.646 5.379 8.062 1.00 0.94 H new ATOM 2315 N VAL B 33 -18.640 6.534 6.440 1.00 0.92 N ATOM 2316 CA VAL B 33 -19.587 7.649 6.429 1.00 0.93 C ATOM 2317 C VAL B 33 -20.627 7.487 5.325 1.00 0.94 C ATOM 2318 O VAL B 33 -21.829 7.564 5.583 1.00 0.95 O ATOM 2319 CB VAL B 33 -18.863 9.001 6.247 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -19.853 10.154 6.262 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -17.815 9.188 7.325 1.00 0.92 C ATOM 0 H VAL B 33 -17.687 6.792 6.184 1.00 0.92 H new ATOM 0 HA VAL B 33 -20.090 7.641 7.396 1.00 0.93 H new ATOM 0 HB VAL B 33 -18.367 8.993 5.276 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -19.318 11.095 6.132 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -20.569 10.029 5.450 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -20.383 10.166 7.215 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -17.314 10.145 7.183 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -18.293 9.171 8.304 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -17.083 8.383 7.264 1.00 0.92 H new ATOM 2331 N VAL B 34 -20.162 7.249 4.103 1.00 0.96 N ATOM 2332 CA VAL B 34 -21.057 7.083 2.959 1.00 0.99 C ATOM 2333 C VAL B 34 -22.032 5.931 3.197 1.00 1.00 C ATOM 2334 O VAL B 34 -23.214 6.040 2.882 1.00 1.02 O ATOM 2335 CB VAL B 34 -20.272 6.838 1.650 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -21.210 6.475 0.508 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -19.459 8.066 1.281 1.00 1.13 C ATOM 0 H VAL B 34 -19.171 7.166 3.877 1.00 0.96 H new ATOM 0 HA VAL B 34 -21.617 8.012 2.853 1.00 0.99 H new ATOM 0 HB VAL B 34 -19.595 6.000 1.819 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -20.630 6.308 -0.400 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -21.757 5.567 0.761 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -21.915 7.290 0.344 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -18.913 7.876 0.357 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -20.127 8.916 1.140 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -18.753 8.289 2.081 1.00 1.13 H new ATOM 2347 N LYS B 35 -21.531 4.848 3.785 1.00 1.01 N ATOM 2348 CA LYS B 35 -22.353 3.676 4.077 1.00 1.05 C ATOM 2349 C LYS B 35 -23.537 4.048 4.973 1.00 1.03 C ATOM 2350 O LYS B 35 -24.660 3.574 4.779 1.00 1.05 O ATOM 2351 CB LYS B 35 -21.492 2.603 4.755 1.00 1.08 C ATOM 2352 CG LYS B 35 -22.217 1.297 5.030 1.00 1.13 C ATOM 2353 CD LYS B 35 -21.342 0.335 5.818 1.00 1.32 C ATOM 2354 CE LYS B 35 -22.178 -0.686 6.568 1.00 1.51 C ATOM 2355 NZ LYS B 35 -22.861 -1.633 5.644 1.00 1.86 N ATOM 0 H LYS B 35 -20.556 4.757 4.070 1.00 1.01 H new ATOM 0 HA LYS B 35 -22.750 3.285 3.140 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -20.626 2.398 4.125 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -21.114 3.000 5.697 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -23.133 1.497 5.586 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -22.510 0.836 4.087 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -20.660 -0.178 5.140 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -20.728 0.894 6.524 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -21.540 -1.244 7.253 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -22.923 -0.170 7.174 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -23.421 -2.313 6.196 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -23.490 -1.104 5.007 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -22.150 -2.144 5.083 1.00 1.86 H new ATOM 2369 N GLU B 36 -23.272 4.890 5.964 1.00 1.00 N ATOM 2370 CA GLU B 36 -24.303 5.331 6.895 1.00 1.00 C ATOM 2371 C GLU B 36 -25.230 6.376 6.273 1.00 0.96 C ATOM 2372 O GLU B 36 -26.443 6.353 6.487 1.00 0.97 O ATOM 2373 CB GLU B 36 -23.660 5.873 8.172 1.00 1.01 C ATOM 2374 CG GLU B 36 -24.317 5.360 9.442 1.00 1.15 C ATOM 2375 CD GLU B 36 -24.824 3.940 9.299 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -23.994 3.025 9.126 1.00 1.57 O ATOM 2377 OE2 GLU B 36 -26.057 3.739 9.332 1.00 1.40 O ATOM 0 H GLU B 36 -22.348 5.283 6.144 1.00 1.00 H new ATOM 0 HA GLU B 36 -24.917 4.465 7.143 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -22.604 5.601 8.182 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -23.709 6.962 8.161 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -23.600 5.406 10.262 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -25.148 6.014 9.707 1.00 1.15 H new ATOM 2384 N SER B 37 -24.665 7.284 5.502 1.00 0.00 N ATOM 2385 CA SER B 37 -25.416 8.351 4.847 1.00 0.00 C ATOM 2386 C SER B 37 -26.482 7.784 3.939 1.00 0.00 C ATOM 2387 O SER B 37 -27.647 8.183 4.004 1.00 0.00 O ATOM 2388 CB SER B 37 -24.465 9.306 4.082 1.00 0.00 C ATOM 2389 OG SER B 37 -23.602 10.045 4.952 1.00 0.00 O ATOM 0 H SER B 37 -23.664 7.307 5.307 1.00 0.00 H new ATOM 0 HA SER B 37 -25.920 8.935 5.617 1.00 0.00 H new ATOM 0 HB2 SER B 37 -23.860 8.727 3.384 1.00 0.00 H new ATOM 0 HB3 SER B 37 -25.057 10.002 3.488 1.00 0.00 H new ATOM 0 HG SER B 37 -22.919 9.447 5.321 1.00 0.00 H new ATOM 2395 N VAL B 38 -26.098 6.868 3.054 1.00 0.96 N ATOM 2396 CA VAL B 38 -27.041 6.264 2.116 1.00 1.00 C ATOM 2397 C VAL B 38 -28.096 5.451 2.863 1.00 1.02 C ATOM 2398 O VAL B 38 -29.220 5.291 2.391 1.00 1.04 O ATOM 2399 CB VAL B 38 -26.339 5.377 1.060 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -25.323 6.191 0.275 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -25.672 4.167 1.700 1.00 1.07 C ATOM 0 H VAL B 38 -25.141 6.527 2.966 1.00 0.96 H new ATOM 0 HA VAL B 38 -27.525 7.084 1.584 1.00 1.00 H new ATOM 0 HB VAL B 38 -27.102 5.010 0.374 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -24.838 5.553 -0.464 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -25.829 7.013 -0.232 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -24.573 6.592 0.957 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -25.189 3.567 0.928 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -24.925 4.502 2.420 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -26.424 3.565 2.210 1.00 1.07 H new ATOM 2411 N ASN B 39 -27.724 4.957 4.037 1.00 1.03 N ATOM 2412 CA ASN B 39 -28.620 4.162 4.867 1.00 1.07 C ATOM 2413 C ASN B 39 -29.840 4.984 5.301 1.00 1.05 C ATOM 2414 O ASN B 39 -30.985 4.573 5.094 1.00 1.08 O ATOM 2415 CB ASN B 39 -27.852 3.636 6.084 1.00 1.11 C ATOM 2416 CG ASN B 39 -28.631 2.621 6.896 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -29.608 2.039 6.419 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -28.190 2.383 8.122 1.00 1.25 N ATOM 0 H ASN B 39 -26.797 5.095 4.439 1.00 1.03 H new ATOM 0 HA ASN B 39 -28.987 3.316 4.285 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -26.920 3.182 5.747 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -27.585 4.475 6.726 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -28.663 1.696 8.710 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -27.378 2.887 8.479 1.00 1.25 H new ATOM 2425 N GLU B 40 -29.590 6.159 5.874 1.00 1.02 N ATOM 2426 CA GLU B 40 -30.674 7.027 6.330 1.00 1.02 C ATOM 2427 C GLU B 40 -31.345 7.750 5.161 1.00 0.98 C ATOM 2428 O GLU B 40 -32.508 8.154 5.257 1.00 1.01 O ATOM 2429 CB GLU B 40 -30.170 8.047 7.355 1.00 1.04 C ATOM 2430 CG GLU B 40 -30.641 7.752 8.767 1.00 1.24 C ATOM 2431 CD GLU B 40 -30.782 8.999 9.607 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -31.665 9.827 9.300 1.00 1.92 O ATOM 2433 OE2 GLU B 40 -30.009 9.162 10.576 1.00 2.04 O ATOM 0 H GLU B 40 -28.653 6.531 6.033 1.00 1.02 H new ATOM 0 HA GLU B 40 -31.416 6.387 6.808 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -29.080 8.063 7.337 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -30.508 9.042 7.066 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -31.601 7.237 8.725 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -29.935 7.074 9.247 1.00 1.24 H new ATOM 2440 N LEU B 41 -30.616 7.920 4.067 1.00 0.95 N ATOM 2441 CA LEU B 41 -31.161 8.586 2.891 1.00 0.94 C ATOM 2442 C LEU B 41 -32.223 7.709 2.250 1.00 0.95 C ATOM 2443 O LEU B 41 -33.308 8.179 1.902 1.00 0.97 O ATOM 2444 CB LEU B 41 -30.048 8.889 1.885 1.00 0.92 C ATOM 2445 CG LEU B 41 -30.481 9.670 0.646 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -30.956 11.065 1.023 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -29.336 9.739 -0.352 1.00 1.01 C ATOM 0 H LEU B 41 -29.650 7.608 3.968 1.00 0.95 H new ATOM 0 HA LEU B 41 -31.614 9.529 3.198 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -29.265 9.452 2.393 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -29.605 7.946 1.563 1.00 0.92 H new ATOM 0 HG LEU B 41 -31.318 9.149 0.181 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -31.259 11.602 0.124 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -31.804 10.989 1.703 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -30.146 11.605 1.512 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -29.654 10.298 -1.232 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -28.483 10.239 0.107 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -29.049 8.730 -0.647 1.00 1.01 H new ATOM 2459 N SER B 42 -31.907 6.428 2.123 1.00 0.97 N ATOM 2460 CA SER B 42 -32.821 5.459 1.541 1.00 1.01 C ATOM 2461 C SER B 42 -34.104 5.395 2.362 1.00 1.02 C ATOM 2462 O SER B 42 -35.198 5.251 1.816 1.00 1.03 O ATOM 2463 CB SER B 42 -32.165 4.075 1.478 1.00 1.07 C ATOM 2464 OG SER B 42 -32.881 3.200 0.622 1.00 1.56 O ATOM 0 H SER B 42 -31.014 6.034 2.419 1.00 0.97 H new ATOM 0 HA SER B 42 -33.064 5.774 0.526 1.00 1.01 H new ATOM 0 HB2 SER B 42 -31.139 4.173 1.124 1.00 1.07 H new ATOM 0 HB3 SER B 42 -32.117 3.648 2.480 1.00 1.07 H new ATOM 0 HG SER B 42 -32.591 2.277 0.781 1.00 1.56 H new ATOM 2470 N GLU B 43 -33.955 5.525 3.675 1.00 1.04 N ATOM 2471 CA GLU B 43 -35.087 5.496 4.596 1.00 1.07 C ATOM 2472 C GLU B 43 -36.092 6.607 4.275 1.00 1.05 C ATOM 2473 O GLU B 43 -37.303 6.381 4.261 1.00 1.10 O ATOM 2474 CB GLU B 43 -34.577 5.650 6.025 1.00 1.12 C ATOM 2475 CG GLU B 43 -35.656 5.556 7.089 1.00 1.24 C ATOM 2476 CD GLU B 43 -35.132 5.937 8.457 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -34.659 7.082 8.617 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -35.171 5.089 9.374 1.00 1.92 O ATOM 0 H GLU B 43 -33.051 5.653 4.130 1.00 1.04 H new ATOM 0 HA GLU B 43 -35.600 4.540 4.487 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -33.828 4.881 6.215 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -34.076 6.613 6.117 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -36.487 6.210 6.823 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -36.048 4.539 7.120 1.00 1.24 H new ATOM 2485 N LYS B 44 -35.582 7.799 3.993 1.00 1.00 N ATOM 2486 CA LYS B 44 -36.446 8.938 3.694 1.00 1.00 C ATOM 2487 C LYS B 44 -37.040 8.828 2.291 1.00 0.98 C ATOM 2488 O LYS B 44 -38.235 9.061 2.095 1.00 1.03 O ATOM 2489 CB LYS B 44 -35.662 10.251 3.825 1.00 1.01 C ATOM 2490 CG LYS B 44 -34.879 10.389 5.129 1.00 1.06 C ATOM 2491 CD LYS B 44 -35.767 10.211 6.349 1.00 1.17 C ATOM 2492 CE LYS B 44 -34.995 10.442 7.640 1.00 1.32 C ATOM 2493 NZ LYS B 44 -33.885 9.464 7.819 1.00 1.35 N ATOM 0 H LYS B 44 -34.583 8.003 3.965 1.00 1.00 H new ATOM 0 HA LYS B 44 -37.264 8.934 4.414 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -34.968 10.331 2.988 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -36.358 11.086 3.743 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -34.080 9.648 5.152 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -34.406 11.370 5.165 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -36.604 10.907 6.295 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -36.188 9.205 6.350 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -34.589 11.453 7.641 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -35.678 10.372 8.487 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -33.326 9.722 8.657 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -34.280 8.510 7.946 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -33.273 9.476 6.978 1.00 1.35 H new ATOM 2507 N ALA B 45 -36.213 8.435 1.330 1.00 0.98 N ATOM 2508 CA ALA B 45 -36.640 8.309 -0.061 1.00 0.99 C ATOM 2509 C ALA B 45 -37.772 7.305 -0.227 1.00 1.01 C ATOM 2510 O ALA B 45 -38.666 7.493 -1.049 1.00 1.03 O ATOM 2511 CB ALA B 45 -35.461 7.921 -0.937 1.00 1.01 C ATOM 0 H ALA B 45 -35.234 8.196 1.489 1.00 0.98 H new ATOM 0 HA ALA B 45 -37.021 9.281 -0.374 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -35.791 7.830 -1.972 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -34.689 8.687 -0.868 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -35.056 6.967 -0.600 1.00 1.01 H new ATOM 2517 N LYS B 46 -37.730 6.253 0.570 1.00 1.04 N ATOM 2518 CA LYS B 46 -38.737 5.200 0.532 1.00 1.10 C ATOM 2519 C LYS B 46 -40.120 5.720 0.890 1.00 1.12 C ATOM 2520 O LYS B 46 -41.115 5.022 0.699 1.00 1.18 O ATOM 2521 CB LYS B 46 -38.358 4.078 1.488 1.00 1.18 C ATOM 2522 CG LYS B 46 -37.377 3.077 0.901 1.00 1.46 C ATOM 2523 CD LYS B 46 -36.643 2.314 1.994 1.00 1.98 C ATOM 2524 CE LYS B 46 -35.887 1.114 1.438 1.00 2.66 C ATOM 2525 NZ LYS B 46 -34.997 1.484 0.305 1.00 3.40 N ATOM 0 H LYS B 46 -36.998 6.101 1.264 1.00 1.04 H new ATOM 0 HA LYS B 46 -38.772 4.824 -0.490 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -37.924 4.512 2.389 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -39.263 3.551 1.792 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -37.911 2.375 0.260 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -36.656 3.598 0.271 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -35.944 2.982 2.497 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -37.358 1.977 2.745 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -35.292 0.662 2.232 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -36.600 0.360 1.106 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -34.369 0.685 0.081 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -35.574 1.715 -0.529 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -34.424 2.311 0.569 1.00 3.40 H new ATOM 2539 N THR B 47 -40.181 6.925 1.439 1.00 1.10 N ATOM 2540 CA THR B 47 -41.449 7.511 1.837 1.00 1.16 C ATOM 2541 C THR B 47 -42.039 8.418 0.745 1.00 1.17 C ATOM 2542 O THR B 47 -43.108 9.006 0.931 1.00 1.27 O ATOM 2543 CB THR B 47 -41.285 8.308 3.142 1.00 1.24 C ATOM 2544 OG1 THR B 47 -40.338 7.644 3.996 1.00 1.54 O ATOM 2545 CG2 THR B 47 -42.620 8.447 3.860 1.00 1.41 C ATOM 0 H THR B 47 -39.367 7.514 1.618 1.00 1.10 H new ATOM 0 HA THR B 47 -42.145 6.687 1.996 1.00 1.16 H new ATOM 0 HB THR B 47 -40.920 9.306 2.898 1.00 1.24 H new ATOM 0 HG1 THR B 47 -39.429 7.815 3.672 1.00 1.54 H new ATOM 0 HG21 THR B 47 -42.481 9.014 4.780 1.00 1.41 H new ATOM 0 HG22 THR B 47 -43.327 8.969 3.215 1.00 1.41 H new ATOM 0 HG23 THR B 47 -43.009 7.457 4.099 1.00 1.41 H new ATOM 2553 N ASP B 48 -41.361 8.524 -0.394 1.00 1.14 N ATOM 2554 CA ASP B 48 -41.851 9.368 -1.487 1.00 1.18 C ATOM 2555 C ASP B 48 -41.689 8.667 -2.837 1.00 1.14 C ATOM 2556 O ASP B 48 -40.639 8.102 -3.113 1.00 1.10 O ATOM 2557 CB ASP B 48 -41.111 10.709 -1.499 1.00 1.23 C ATOM 2558 CG ASP B 48 -41.466 11.561 -2.707 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -42.562 12.164 -2.722 1.00 1.39 O ATOM 2560 OD2 ASP B 48 -40.653 11.634 -3.645 1.00 1.43 O ATOM 0 H ASP B 48 -40.482 8.044 -0.586 1.00 1.14 H new ATOM 0 HA ASP B 48 -42.913 9.550 -1.321 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -41.348 11.259 -0.588 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -40.036 10.527 -1.490 1.00 1.23 H new ATOM 2565 N PRO B 49 -42.734 8.695 -3.685 1.00 1.20 N ATOM 2566 CA PRO B 49 -42.724 8.054 -5.011 1.00 1.22 C ATOM 2567 C PRO B 49 -41.610 8.575 -5.928 1.00 1.24 C ATOM 2568 O PRO B 49 -40.993 7.805 -6.667 1.00 1.24 O ATOM 2569 CB PRO B 49 -44.099 8.408 -5.597 1.00 1.33 C ATOM 2570 CG PRO B 49 -44.597 9.548 -4.779 1.00 1.36 C ATOM 2571 CD PRO B 49 -44.022 9.354 -3.410 1.00 1.29 C ATOM 0 HA PRO B 49 -42.537 6.983 -4.927 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -44.018 8.685 -6.648 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -44.780 7.558 -5.542 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -44.281 10.501 -5.204 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -45.686 9.559 -4.747 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -43.888 10.303 -2.890 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -44.667 8.736 -2.785 1.00 1.29 H new ATOM 2579 N GLN B 50 -41.346 9.873 -5.877 1.00 1.28 N ATOM 2580 CA GLN B 50 -40.316 10.470 -6.718 1.00 1.33 C ATOM 2581 C GLN B 50 -38.930 10.126 -6.188 1.00 1.22 C ATOM 2582 O GLN B 50 -38.032 9.745 -6.946 1.00 1.22 O ATOM 2583 CB GLN B 50 -40.495 11.986 -6.789 1.00 1.45 C ATOM 2584 CG GLN B 50 -41.763 12.422 -7.505 1.00 1.58 C ATOM 2585 CD GLN B 50 -41.992 13.921 -7.442 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -42.484 14.522 -8.394 1.00 1.81 O ATOM 2587 NE2 GLN B 50 -41.631 14.536 -6.325 1.00 1.66 N ATOM 0 H GLN B 50 -41.828 10.531 -5.265 1.00 1.28 H new ATOM 0 HA GLN B 50 -40.415 10.062 -7.724 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -40.504 12.389 -5.776 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -39.634 12.421 -7.297 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -41.710 12.111 -8.548 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -42.618 11.910 -7.063 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -41.226 14.001 -5.557 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -41.758 15.544 -6.234 1.00 1.66 H new ATOM 2596 N ALA B 51 -38.767 10.255 -4.880 1.00 1.15 N ATOM 2597 CA ALA B 51 -37.502 9.964 -4.225 1.00 1.08 C ATOM 2598 C ALA B 51 -37.162 8.479 -4.325 1.00 1.00 C ATOM 2599 O ALA B 51 -36.000 8.111 -4.507 1.00 0.98 O ATOM 2600 CB ALA B 51 -37.550 10.410 -2.771 1.00 1.09 C ATOM 0 H ALA B 51 -39.504 10.563 -4.246 1.00 1.15 H new ATOM 0 HA ALA B 51 -36.715 10.520 -4.735 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -36.597 10.187 -2.290 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -37.737 11.483 -2.725 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -38.350 9.880 -2.254 1.00 1.09 H new ATOM 2606 N ALA B 52 -38.185 7.629 -4.221 1.00 0.99 N ATOM 2607 CA ALA B 52 -38.002 6.182 -4.317 1.00 0.98 C ATOM 2608 C ALA B 52 -37.410 5.808 -5.669 1.00 1.02 C ATOM 2609 O ALA B 52 -36.563 4.924 -5.761 1.00 1.03 O ATOM 2610 CB ALA B 52 -39.322 5.456 -4.103 1.00 1.03 C ATOM 0 H ALA B 52 -39.151 7.920 -4.070 1.00 0.99 H new ATOM 0 HA ALA B 52 -37.308 5.875 -3.534 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -39.162 4.380 -4.179 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -39.713 5.696 -3.114 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -40.038 5.771 -4.862 1.00 1.03 H new ATOM 2616 N GLU B 53 -37.868 6.495 -6.713 1.00 1.09 N ATOM 2617 CA GLU B 53 -37.385 6.265 -8.072 1.00 1.18 C ATOM 2618 C GLU B 53 -35.898 6.605 -8.170 1.00 1.17 C ATOM 2619 O GLU B 53 -35.118 5.883 -8.790 1.00 1.23 O ATOM 2620 CB GLU B 53 -38.180 7.133 -9.054 1.00 1.28 C ATOM 2621 CG GLU B 53 -37.580 7.212 -10.452 1.00 1.45 C ATOM 2622 CD GLU B 53 -37.925 6.017 -11.311 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -39.089 5.920 -11.756 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -37.039 5.175 -11.560 1.00 1.58 O ATOM 0 H GLU B 53 -38.580 7.222 -6.642 1.00 1.09 H new ATOM 0 HA GLU B 53 -37.522 5.213 -8.323 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -39.194 6.740 -9.129 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -38.258 8.141 -8.648 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -37.933 8.119 -10.942 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -36.496 7.294 -10.372 1.00 1.45 H new ATOM 2631 N LYS B 54 -35.519 7.701 -7.527 1.00 1.13 N ATOM 2632 CA LYS B 54 -34.139 8.167 -7.536 1.00 1.14 C ATOM 2633 C LYS B 54 -33.215 7.189 -6.817 1.00 1.05 C ATOM 2634 O LYS B 54 -32.134 6.867 -7.312 1.00 1.09 O ATOM 2635 CB LYS B 54 -34.045 9.546 -6.885 1.00 1.16 C ATOM 2636 CG LYS B 54 -34.668 10.659 -7.719 1.00 1.32 C ATOM 2637 CD LYS B 54 -34.755 11.966 -6.947 1.00 1.48 C ATOM 2638 CE LYS B 54 -33.379 12.549 -6.652 1.00 1.68 C ATOM 2639 NZ LYS B 54 -32.702 13.028 -7.890 1.00 2.09 N ATOM 0 H LYS B 54 -36.155 8.289 -6.988 1.00 1.13 H new ATOM 0 HA LYS B 54 -33.817 8.234 -8.575 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -34.537 9.514 -5.913 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -32.996 9.782 -6.704 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -34.077 10.810 -8.622 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -35.666 10.359 -8.038 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -35.339 12.687 -7.520 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -35.286 11.799 -6.010 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -33.478 13.376 -5.949 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -32.760 11.793 -6.169 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -31.850 13.567 -7.634 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -32.432 12.212 -8.476 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -33.350 13.640 -8.426 1.00 2.09 H new ATOM 2653 N LEU B 55 -33.646 6.714 -5.656 1.00 0.98 N ATOM 2654 CA LEU B 55 -32.848 5.775 -4.872 1.00 0.95 C ATOM 2655 C LEU B 55 -32.801 4.409 -5.549 1.00 0.99 C ATOM 2656 O LEU B 55 -31.848 3.656 -5.374 1.00 0.99 O ATOM 2657 CB LEU B 55 -33.402 5.650 -3.451 1.00 0.94 C ATOM 2658 CG LEU B 55 -32.672 6.485 -2.390 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -31.327 5.858 -2.043 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -32.485 7.925 -2.868 1.00 1.09 C ATOM 0 H LEU B 55 -34.542 6.962 -5.235 1.00 0.98 H new ATOM 0 HA LEU B 55 -31.831 6.162 -4.812 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -34.452 5.942 -3.461 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -33.365 4.602 -3.154 1.00 0.94 H new ATOM 0 HG LEU B 55 -33.286 6.501 -1.490 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -30.826 6.465 -1.289 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -31.484 4.852 -1.653 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -30.707 5.807 -2.938 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -31.966 8.499 -2.100 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -31.897 7.930 -3.785 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -33.459 8.374 -3.059 1.00 1.09 H new ATOM 2672 N ASN B 56 -33.835 4.106 -6.329 1.00 1.06 N ATOM 2673 CA ASN B 56 -33.917 2.847 -7.061 1.00 1.16 C ATOM 2674 C ASN B 56 -32.760 2.757 -8.046 1.00 1.20 C ATOM 2675 O ASN B 56 -32.123 1.715 -8.198 1.00 1.26 O ATOM 2676 CB ASN B 56 -35.258 2.767 -7.801 1.00 1.26 C ATOM 2677 CG ASN B 56 -35.442 1.488 -8.599 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -34.864 0.449 -8.288 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -36.264 1.555 -9.634 1.00 1.58 N ATOM 0 H ASN B 56 -34.635 4.723 -6.471 1.00 1.06 H new ATOM 0 HA ASN B 56 -33.853 2.012 -6.364 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -36.068 2.852 -7.076 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -35.342 3.620 -8.475 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -36.435 0.726 -10.204 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -36.726 2.435 -9.862 1.00 1.58 H new ATOM 2686 N LYS B 57 -32.472 3.877 -8.683 1.00 1.21 N ATOM 2687 CA LYS B 57 -31.394 3.950 -9.650 1.00 1.29 C ATOM 2688 C LYS B 57 -30.046 4.118 -8.957 1.00 1.21 C ATOM 2689 O LYS B 57 -29.018 3.685 -9.473 1.00 1.26 O ATOM 2690 CB LYS B 57 -31.640 5.095 -10.619 1.00 1.39 C ATOM 2691 CG LYS B 57 -32.647 4.754 -11.709 1.00 1.52 C ATOM 2692 CD LYS B 57 -33.430 5.976 -12.154 1.00 1.62 C ATOM 2693 CE LYS B 57 -34.168 5.723 -13.458 1.00 1.73 C ATOM 2694 NZ LYS B 57 -35.168 4.633 -13.327 1.00 1.81 N ATOM 0 H LYS B 57 -32.974 4.754 -8.546 1.00 1.21 H new ATOM 0 HA LYS B 57 -31.369 3.014 -10.207 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -31.996 5.962 -10.063 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -30.695 5.379 -11.082 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -32.125 4.325 -12.565 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -33.337 3.994 -11.342 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -34.144 6.253 -11.379 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -32.750 6.819 -12.278 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -34.668 6.638 -13.775 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -33.450 5.465 -14.237 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -35.886 4.729 -14.073 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -34.693 3.713 -13.421 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -35.626 4.692 -12.395 1.00 1.81 H new ATOM 2708 N LEU B 58 -30.059 4.777 -7.804 1.00 1.12 N ATOM 2709 CA LEU B 58 -28.842 5.006 -7.028 1.00 1.09 C ATOM 2710 C LEU B 58 -28.240 3.683 -6.548 1.00 1.08 C ATOM 2711 O LEU B 58 -27.053 3.425 -6.747 1.00 1.11 O ATOM 2712 CB LEU B 58 -29.146 5.911 -5.826 1.00 1.06 C ATOM 2713 CG LEU B 58 -28.281 7.174 -5.708 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -26.805 6.819 -5.598 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -28.513 8.101 -6.893 1.00 1.40 C ATOM 0 H LEU B 58 -30.903 5.165 -7.383 1.00 1.12 H new ATOM 0 HA LEU B 58 -28.115 5.498 -7.673 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -30.192 6.213 -5.877 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -29.028 5.325 -4.914 1.00 1.06 H new ATOM 0 HG LEU B 58 -28.577 7.694 -4.797 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -26.216 7.733 -5.516 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -26.644 6.203 -4.714 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -26.496 6.267 -6.486 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -27.890 8.989 -6.788 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -28.254 7.583 -7.816 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -29.562 8.396 -6.925 1.00 1.40 H new ATOM 2727 N ILE B 59 -29.067 2.844 -5.930 1.00 1.08 N ATOM 2728 CA ILE B 59 -28.610 1.557 -5.422 1.00 1.15 C ATOM 2729 C ILE B 59 -28.201 0.634 -6.577 1.00 1.25 C ATOM 2730 O ILE B 59 -27.238 -0.131 -6.463 1.00 1.32 O ATOM 2731 CB ILE B 59 -29.687 0.875 -4.534 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -29.134 -0.400 -3.904 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -30.950 0.568 -5.323 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -28.104 -0.146 -2.826 1.00 1.37 C ATOM 0 H ILE B 59 -30.056 3.034 -5.770 1.00 1.08 H new ATOM 0 HA ILE B 59 -27.737 1.743 -4.797 1.00 1.15 H new ATOM 0 HB ILE B 59 -29.950 1.575 -3.741 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -29.959 -0.972 -3.479 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -28.687 -1.016 -4.684 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -31.681 0.092 -4.669 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -31.366 1.495 -5.718 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -30.710 -0.103 -6.148 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -27.756 -1.097 -2.424 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -27.261 0.399 -3.250 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -28.552 0.444 -2.026 1.00 1.37 H new ATOM 2746 N GLU B 60 -28.922 0.728 -7.690 1.00 1.29 N ATOM 2747 CA GLU B 60 -28.613 -0.076 -8.862 1.00 1.44 C ATOM 2748 C GLU B 60 -27.241 0.320 -9.394 1.00 1.40 C ATOM 2749 O GLU B 60 -26.429 -0.529 -9.768 1.00 1.51 O ATOM 2750 CB GLU B 60 -29.690 0.116 -9.934 1.00 1.54 C ATOM 2751 CG GLU B 60 -29.421 -0.643 -11.223 1.00 1.75 C ATOM 2752 CD GLU B 60 -30.622 -0.653 -12.146 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -30.834 0.343 -12.876 1.00 2.17 O ATOM 2754 OE2 GLU B 60 -31.356 -1.662 -12.159 1.00 2.28 O ATOM 0 H GLU B 60 -29.721 1.352 -7.803 1.00 1.29 H new ATOM 0 HA GLU B 60 -28.596 -1.131 -8.588 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -30.651 -0.203 -9.530 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -29.777 1.179 -10.161 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -28.574 -0.191 -11.738 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -29.139 -1.669 -10.986 1.00 1.75 H new ATOM 2761 N GLY B 61 -26.981 1.623 -9.385 1.00 1.29 N ATOM 2762 CA GLY B 61 -25.716 2.139 -9.847 1.00 1.28 C ATOM 2763 C GLY B 61 -24.571 1.716 -8.949 1.00 1.21 C ATOM 2764 O GLY B 61 -23.486 1.395 -9.428 1.00 1.23 O ATOM 0 H GLY B 61 -27.636 2.335 -9.061 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -25.530 1.788 -10.862 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -25.761 3.227 -9.889 1.00 1.28 H new ATOM 2768 N TYR B 62 -24.821 1.707 -7.642 1.00 1.19 N ATOM 2769 CA TYR B 62 -23.805 1.309 -6.669 1.00 1.23 C ATOM 2770 C TYR B 62 -23.479 -0.175 -6.817 1.00 1.35 C ATOM 2771 O TYR B 62 -22.354 -0.605 -6.565 1.00 1.37 O ATOM 2772 CB TYR B 62 -24.277 1.606 -5.243 1.00 1.28 C ATOM 2773 CG TYR B 62 -23.149 1.963 -4.302 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -22.308 3.036 -4.576 1.00 2.11 C ATOM 2775 CD2 TYR B 62 -22.922 1.230 -3.144 1.00 2.25 C ATOM 2776 CE1 TYR B 62 -21.273 3.367 -3.725 1.00 2.72 C ATOM 2777 CE2 TYR B 62 -21.887 1.557 -2.286 1.00 2.90 C ATOM 2778 CZ TYR B 62 -21.065 2.626 -2.582 1.00 2.96 C ATOM 2779 OH TYR B 62 -20.030 2.953 -1.733 1.00 3.75 O ATOM 0 H TYR B 62 -25.717 1.970 -7.232 1.00 1.19 H new ATOM 0 HA TYR B 62 -22.902 1.888 -6.862 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -24.993 2.427 -5.268 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -24.804 0.735 -4.853 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -22.467 3.620 -5.470 1.00 2.11 H new ATOM 0 HD2 TYR B 62 -23.563 0.393 -2.910 1.00 2.25 H new ATOM 0 HE1 TYR B 62 -20.629 4.203 -3.954 1.00 2.72 H new ATOM 0 HE2 TYR B 62 -21.723 0.979 -1.389 1.00 2.90 H new ATOM 0 HH TYR B 62 -20.393 3.323 -0.901 1.00 3.75 H new ATOM 2789 N THR B 63 -24.476 -0.949 -7.235 1.00 1.51 N ATOM 2790 CA THR B 63 -24.305 -2.381 -7.448 1.00 1.71 C ATOM 2791 C THR B 63 -23.335 -2.619 -8.606 1.00 1.67 C ATOM 2792 O THR B 63 -22.565 -3.580 -8.612 1.00 1.80 O ATOM 2793 CB THR B 63 -25.665 -3.050 -7.748 1.00 1.94 C ATOM 2794 OG1 THR B 63 -26.580 -2.814 -6.664 1.00 2.00 O ATOM 2795 CG2 THR B 63 -25.520 -4.546 -7.973 1.00 2.31 C ATOM 0 H THR B 63 -25.416 -0.605 -7.434 1.00 1.51 H new ATOM 0 HA THR B 63 -23.896 -2.825 -6.540 1.00 1.71 H new ATOM 0 HB THR B 63 -26.054 -2.606 -8.665 1.00 1.94 H new ATOM 0 HG1 THR B 63 -26.755 -1.853 -6.587 1.00 2.00 H new ATOM 0 HG21 THR B 63 -26.498 -4.979 -8.181 1.00 2.31 H new ATOM 0 HG22 THR B 63 -24.857 -4.724 -8.820 1.00 2.31 H new ATOM 0 HG23 THR B 63 -25.100 -5.009 -7.080 1.00 2.31 H new ATOM 2803 N TYR B 64 -23.360 -1.710 -9.571 1.00 1.57 N ATOM 2804 CA TYR B 64 -22.485 -1.792 -10.730 1.00 1.63 C ATOM 2805 C TYR B 64 -21.349 -0.787 -10.603 1.00 1.37 C ATOM 2806 O TYR B 64 -20.835 -0.272 -11.598 1.00 1.46 O ATOM 2807 CB TYR B 64 -23.279 -1.543 -12.012 1.00 1.90 C ATOM 2808 CG TYR B 64 -24.217 -2.678 -12.354 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -23.743 -3.830 -12.966 1.00 3.10 C ATOM 2810 CD2 TYR B 64 -25.571 -2.606 -12.053 1.00 2.81 C ATOM 2811 CE1 TYR B 64 -24.588 -4.877 -13.270 1.00 3.76 C ATOM 2812 CE2 TYR B 64 -26.424 -3.652 -12.351 1.00 3.50 C ATOM 2813 CZ TYR B 64 -25.926 -4.784 -12.960 1.00 3.84 C ATOM 2814 OH TYR B 64 -26.766 -5.831 -13.260 1.00 4.62 O ATOM 0 H TYR B 64 -23.982 -0.902 -9.572 1.00 1.57 H new ATOM 0 HA TYR B 64 -22.058 -2.794 -10.777 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -23.854 -0.623 -11.904 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -22.585 -1.390 -12.839 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -22.694 -3.908 -13.209 1.00 3.10 H new ATOM 0 HD2 TYR B 64 -25.964 -1.719 -11.579 1.00 2.81 H new ATOM 0 HE1 TYR B 64 -24.202 -5.765 -13.749 1.00 3.76 H new ATOM 0 HE2 TYR B 64 -27.474 -3.583 -12.108 1.00 3.50 H new ATOM 0 HH TYR B 64 -27.678 -5.610 -12.977 1.00 4.62 H new ATOM 2824 N GLY B 65 -20.968 -0.515 -9.361 1.00 1.20 N ATOM 2825 CA GLY B 65 -19.896 0.419 -9.087 1.00 1.11 C ATOM 2826 C GLY B 65 -18.535 -0.208 -9.275 1.00 1.04 C ATOM 2827 O GLY B 65 -17.814 -0.444 -8.306 1.00 1.03 O ATOM 0 H GLY B 65 -21.389 -0.931 -8.530 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -19.991 1.283 -9.745 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -19.988 0.786 -8.065 1.00 1.11 H new ATOM 2831 N GLU B 66 -18.187 -0.482 -10.528 1.00 1.04 N ATOM 2832 CA GLU B 66 -16.904 -1.079 -10.860 1.00 1.02 C ATOM 2833 C GLU B 66 -15.757 -0.173 -10.435 1.00 0.98 C ATOM 2834 O GLU B 66 -14.670 -0.646 -10.121 1.00 0.95 O ATOM 2835 CB GLU B 66 -16.832 -1.369 -12.358 1.00 1.10 C ATOM 2836 CG GLU B 66 -17.657 -2.576 -12.778 1.00 1.36 C ATOM 2837 CD GLU B 66 -17.017 -3.889 -12.374 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -16.083 -4.334 -13.066 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -17.442 -4.487 -11.364 1.00 2.08 O ATOM 0 H GLU B 66 -18.783 -0.297 -11.335 1.00 1.04 H new ATOM 0 HA GLU B 66 -16.810 -2.018 -10.315 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -17.177 -0.493 -12.907 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -15.792 -1.533 -12.640 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -18.649 -2.507 -12.331 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -17.793 -2.560 -13.859 1.00 1.36 H new ATOM 2846 N GLU B 67 -16.021 1.128 -10.409 1.00 1.00 N ATOM 2847 CA GLU B 67 -15.020 2.109 -10.008 1.00 1.01 C ATOM 2848 C GLU B 67 -14.683 1.937 -8.531 1.00 0.97 C ATOM 2849 O GLU B 67 -13.563 2.200 -8.102 1.00 0.95 O ATOM 2850 CB GLU B 67 -15.537 3.522 -10.266 1.00 1.10 C ATOM 2851 CG GLU B 67 -16.170 3.695 -11.636 1.00 1.53 C ATOM 2852 CD GLU B 67 -16.776 5.067 -11.821 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -17.736 5.402 -11.096 1.00 2.28 O ATOM 2854 OE2 GLU B 67 -16.281 5.832 -12.675 1.00 2.44 O ATOM 0 H GLU B 67 -16.924 1.529 -10.662 1.00 1.00 H new ATOM 0 HA GLU B 67 -14.117 1.952 -10.597 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -16.270 3.777 -9.501 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -14.712 4.227 -10.164 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -15.416 3.527 -12.405 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -16.942 2.938 -11.775 1.00 1.53 H new ATOM 2861 N ARG B 68 -15.667 1.487 -7.757 1.00 0.98 N ATOM 2862 CA ARG B 68 -15.475 1.245 -6.331 1.00 0.99 C ATOM 2863 C ARG B 68 -14.507 0.078 -6.168 1.00 0.95 C ATOM 2864 O ARG B 68 -13.642 0.066 -5.287 1.00 0.95 O ATOM 2865 CB ARG B 68 -16.814 0.923 -5.663 1.00 1.04 C ATOM 2866 CG ARG B 68 -16.782 0.969 -4.144 1.00 1.10 C ATOM 2867 CD ARG B 68 -17.886 0.115 -3.552 1.00 1.41 C ATOM 2868 NE ARG B 68 -18.433 0.688 -2.327 1.00 1.59 N ATOM 2869 CZ ARG B 68 -18.425 0.079 -1.138 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -17.815 -1.089 -0.974 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -19.021 0.663 -0.108 1.00 2.17 N ATOM 0 H ARG B 68 -16.607 1.282 -8.095 1.00 0.98 H new ATOM 0 HA ARG B 68 -15.066 2.136 -5.854 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -17.564 1.628 -6.021 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -17.135 -0.070 -5.978 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -15.814 0.618 -3.786 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -16.893 1.999 -3.805 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -18.685 -0.001 -4.284 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -17.498 -0.882 -3.343 1.00 1.41 H new ATOM 0 HE ARG B 68 -18.850 1.617 -2.382 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -17.344 -1.533 -1.762 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -17.817 -1.542 -0.060 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -19.478 1.567 -0.229 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -19.022 0.209 0.805 1.00 2.17 H new ATOM 2885 N LYS B 69 -14.660 -0.890 -7.059 1.00 0.94 N ATOM 2886 CA LYS B 69 -13.809 -2.072 -7.080 1.00 0.94 C ATOM 2887 C LYS B 69 -12.401 -1.681 -7.510 1.00 0.89 C ATOM 2888 O LYS B 69 -11.421 -2.308 -7.114 1.00 0.88 O ATOM 2889 CB LYS B 69 -14.391 -3.118 -8.035 1.00 1.00 C ATOM 2890 CG LYS B 69 -13.776 -4.501 -7.900 1.00 1.28 C ATOM 2891 CD LYS B 69 -14.485 -5.508 -8.788 1.00 1.46 C ATOM 2892 CE LYS B 69 -14.166 -5.284 -10.257 1.00 1.55 C ATOM 2893 NZ LYS B 69 -15.020 -6.111 -11.148 1.00 1.70 N ATOM 0 H LYS B 69 -15.375 -0.879 -7.786 1.00 0.94 H new ATOM 0 HA LYS B 69 -13.764 -2.504 -6.080 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -15.465 -3.193 -7.862 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -14.256 -2.772 -9.060 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -12.720 -4.459 -8.165 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -13.831 -4.826 -6.861 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -14.190 -6.517 -8.501 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -15.562 -5.435 -8.634 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -14.303 -4.230 -10.500 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -13.118 -5.520 -10.440 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -15.188 -5.601 -12.039 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -14.541 -7.012 -11.350 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -15.930 -6.299 -10.680 1.00 1.70 H new ATOM 2907 N LEU B 70 -12.317 -0.623 -8.310 1.00 0.89 N ATOM 2908 CA LEU B 70 -11.041 -0.110 -8.789 1.00 0.87 C ATOM 2909 C LEU B 70 -10.203 0.378 -7.612 1.00 0.83 C ATOM 2910 O LEU B 70 -8.993 0.161 -7.569 1.00 0.82 O ATOM 2911 CB LEU B 70 -11.268 1.033 -9.786 1.00 0.91 C ATOM 2912 CG LEU B 70 -10.026 1.853 -10.142 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -9.039 1.013 -10.938 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -10.421 3.101 -10.920 1.00 1.04 C ATOM 0 H LEU B 70 -13.127 -0.100 -8.642 1.00 0.89 H new ATOM 0 HA LEU B 70 -10.506 -0.913 -9.296 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -11.681 0.615 -10.704 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -12.021 1.706 -9.375 1.00 0.91 H new ATOM 0 HG LEU B 70 -9.539 2.163 -9.217 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -8.163 1.614 -11.181 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -8.734 0.151 -10.345 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -9.512 0.671 -11.859 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -9.527 3.674 -11.166 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -10.931 2.811 -11.839 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -11.088 3.712 -10.313 1.00 1.04 H new ATOM 2926 N TYR B 71 -10.860 1.035 -6.655 1.00 0.84 N ATOM 2927 CA TYR B 71 -10.175 1.539 -5.468 1.00 0.84 C ATOM 2928 C TYR B 71 -9.685 0.365 -4.626 1.00 0.83 C ATOM 2929 O TYR B 71 -8.613 0.418 -4.021 1.00 0.82 O ATOM 2930 CB TYR B 71 -11.101 2.427 -4.627 1.00 0.91 C ATOM 2931 CG TYR B 71 -11.859 3.476 -5.417 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -11.268 4.150 -6.481 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -13.171 3.796 -5.090 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -11.964 5.108 -7.194 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -13.872 4.752 -5.800 1.00 1.09 C ATOM 2936 CZ TYR B 71 -13.265 5.403 -6.849 1.00 1.07 C ATOM 2937 OH TYR B 71 -13.961 6.357 -7.551 1.00 1.19 O ATOM 0 H TYR B 71 -11.861 1.229 -6.680 1.00 0.84 H new ATOM 0 HA TYR B 71 -9.328 2.143 -5.792 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -11.820 1.792 -4.109 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -10.507 2.926 -3.862 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -10.249 3.921 -6.754 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -13.651 3.289 -4.266 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -11.491 5.623 -8.017 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -14.892 4.987 -5.533 1.00 1.09 H new ATOM 0 HH TYR B 71 -14.864 6.442 -7.180 1.00 1.19 H new ATOM 2947 N ASP B 72 -10.490 -0.689 -4.592 1.00 0.86 N ATOM 2948 CA ASP B 72 -10.152 -1.902 -3.853 1.00 0.88 C ATOM 2949 C ASP B 72 -8.885 -2.535 -4.429 1.00 0.85 C ATOM 2950 O ASP B 72 -7.946 -2.884 -3.701 1.00 0.85 O ATOM 2951 CB ASP B 72 -11.316 -2.894 -3.927 1.00 0.95 C ATOM 2952 CG ASP B 72 -10.993 -4.239 -3.307 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -10.413 -5.093 -4.006 1.00 1.32 O ATOM 2954 OD2 ASP B 72 -11.344 -4.452 -2.128 1.00 1.31 O ATOM 0 H ASP B 72 -11.389 -0.729 -5.071 1.00 0.86 H new ATOM 0 HA ASP B 72 -9.969 -1.643 -2.810 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -12.182 -2.467 -3.422 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -11.595 -3.040 -4.970 1.00 0.95 H new ATOM 2959 N SER B 73 -8.857 -2.655 -5.753 1.00 0.84 N ATOM 2960 CA SER B 73 -7.720 -3.233 -6.455 1.00 0.83 C ATOM 2961 C SER B 73 -6.471 -2.365 -6.283 1.00 0.79 C ATOM 2962 O SER B 73 -5.348 -2.853 -6.397 1.00 0.78 O ATOM 2963 CB SER B 73 -8.046 -3.390 -7.940 1.00 0.86 C ATOM 2964 OG SER B 73 -9.310 -4.007 -8.124 1.00 0.91 O ATOM 0 H SER B 73 -9.617 -2.356 -6.364 1.00 0.84 H new ATOM 0 HA SER B 73 -7.517 -4.214 -6.026 1.00 0.83 H new ATOM 0 HB2 SER B 73 -8.042 -2.412 -8.422 1.00 0.86 H new ATOM 0 HB3 SER B 73 -7.273 -3.987 -8.424 1.00 0.86 H new ATOM 0 HG SER B 73 -10.021 -3.367 -7.910 1.00 0.91 H new ATOM 2970 N ALA B 74 -6.674 -1.078 -6.004 1.00 0.79 N ATOM 2971 CA ALA B 74 -5.566 -0.150 -5.808 1.00 0.78 C ATOM 2972 C ALA B 74 -4.803 -0.502 -4.536 1.00 0.74 C ATOM 2973 O ALA B 74 -3.573 -0.470 -4.512 1.00 0.72 O ATOM 2974 CB ALA B 74 -6.066 1.288 -5.746 1.00 0.81 C ATOM 0 H ALA B 74 -7.598 -0.656 -5.909 1.00 0.79 H new ATOM 0 HA ALA B 74 -4.891 -0.238 -6.659 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -5.221 1.961 -5.599 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -6.571 1.538 -6.679 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -6.764 1.395 -4.915 1.00 0.81 H new ATOM 2980 N LEU B 75 -5.537 -0.852 -3.483 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.921 -1.231 -2.214 1.00 0.76 C ATOM 2982 C LEU B 75 -4.126 -2.519 -2.384 1.00 0.73 C ATOM 2983 O LEU B 75 -3.114 -2.736 -1.717 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.991 -1.411 -1.134 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.692 -0.744 0.220 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -4.432 -1.325 0.858 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -5.555 0.765 0.060 1.00 1.14 C ATOM 0 H LEU B 75 -6.557 -0.881 -3.483 1.00 0.76 H new ATOM 0 HA LEU B 75 -4.244 -0.435 -1.903 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.933 -1.015 -1.513 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -6.137 -2.478 -0.968 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.533 -0.950 0.882 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.248 -0.833 1.813 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -4.566 -2.394 1.021 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -3.581 -1.163 0.196 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -5.344 1.216 1.030 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -4.739 0.985 -0.628 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -6.484 1.175 -0.336 1.00 1.14 H new ATOM 2999 N SER B 76 -4.582 -3.366 -3.298 1.00 0.75 N ATOM 3000 CA SER B 76 -3.905 -4.623 -3.570 1.00 0.75 C ATOM 3001 C SER B 76 -2.555 -4.360 -4.241 1.00 0.72 C ATOM 3002 O SER B 76 -1.605 -5.128 -4.084 1.00 0.72 O ATOM 3003 CB SER B 76 -4.795 -5.503 -4.447 1.00 0.81 C ATOM 3004 OG SER B 76 -6.146 -5.461 -4.003 1.00 0.91 O ATOM 0 H SER B 76 -5.417 -3.204 -3.862 1.00 0.75 H new ATOM 0 HA SER B 76 -3.716 -5.147 -2.633 1.00 0.75 H new ATOM 0 HB2 SER B 76 -4.738 -5.167 -5.482 1.00 0.81 H new ATOM 0 HB3 SER B 76 -4.432 -6.531 -4.424 1.00 0.81 H new ATOM 0 HG SER B 76 -6.698 -6.030 -4.580 1.00 0.91 H new ATOM 3010 N LYS B 77 -2.480 -3.255 -4.977 1.00 0.72 N ATOM 3011 CA LYS B 77 -1.253 -2.861 -5.651 1.00 0.71 C ATOM 3012 C LYS B 77 -0.235 -2.390 -4.616 1.00 0.67 C ATOM 3013 O LYS B 77 0.970 -2.592 -4.770 1.00 0.66 O ATOM 3014 CB LYS B 77 -1.528 -1.748 -6.667 1.00 0.75 C ATOM 3015 CG LYS B 77 -2.273 -2.218 -7.906 1.00 0.93 C ATOM 3016 CD LYS B 77 -2.662 -1.048 -8.798 1.00 1.09 C ATOM 3017 CE LYS B 77 -3.148 -1.521 -10.160 1.00 1.34 C ATOM 3018 NZ LYS B 77 -3.748 -0.412 -10.949 1.00 1.68 N ATOM 0 H LYS B 77 -3.261 -2.615 -5.121 1.00 0.72 H new ATOM 0 HA LYS B 77 -0.852 -3.720 -6.189 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -2.107 -0.962 -6.183 1.00 0.75 H new ATOM 0 HB3 LYS B 77 -0.580 -1.304 -6.971 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -1.648 -2.913 -8.467 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -3.168 -2.764 -7.609 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -3.445 -0.465 -8.314 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -1.805 -0.386 -8.926 1.00 1.09 H new ATOM 0 HE2 LYS B 77 -2.314 -1.951 -10.714 1.00 1.34 H new ATOM 0 HE3 LYS B 77 -3.885 -2.313 -10.028 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 -4.067 -0.774 -11.870 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 -4.560 -0.018 -10.432 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 -3.037 0.333 -11.097 1.00 1.68 H new ATOM 3032 N ILE B 78 -0.746 -1.773 -3.552 1.00 0.66 N ATOM 3033 CA ILE B 78 0.087 -1.283 -2.463 1.00 0.64 C ATOM 3034 C ILE B 78 0.823 -2.451 -1.814 1.00 0.63 C ATOM 3035 O ILE B 78 2.020 -2.374 -1.543 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.754 -0.556 -1.387 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -1.575 0.578 -2.013 1.00 0.90 C ATOM 3038 CG2 ILE B 78 0.144 -0.017 -0.278 1.00 0.79 C ATOM 3039 CD1 ILE B 78 -0.758 1.799 -2.382 1.00 1.15 C ATOM 0 H ILE B 78 -1.743 -1.601 -3.424 1.00 0.66 H new ATOM 0 HA ILE B 78 0.799 -0.572 -2.882 1.00 0.64 H new ATOM 0 HB ILE B 78 -1.445 -1.277 -0.951 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -2.072 0.202 -2.907 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -2.357 0.875 -1.315 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.466 0.491 0.469 1.00 0.79 H new ATOM 0 HG22 ILE B 78 0.679 -0.843 0.191 1.00 0.79 H new ATOM 0 HG23 ILE B 78 0.861 0.687 -0.700 1.00 0.79 H new ATOM 0 HD11 ILE B 78 -1.411 2.555 -2.818 1.00 1.15 H new ATOM 0 HD12 ILE B 78 -0.282 2.202 -1.488 1.00 1.15 H new ATOM 0 HD13 ILE B 78 0.008 1.519 -3.106 1.00 1.15 H new ATOM 3051 N GLU B 79 0.093 -3.542 -1.601 1.00 0.65 N ATOM 3052 CA GLU B 79 0.653 -4.739 -0.989 1.00 0.67 C ATOM 3053 C GLU B 79 1.773 -5.324 -1.851 1.00 0.67 C ATOM 3054 O GLU B 79 2.749 -5.862 -1.330 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.437 -5.786 -0.771 1.00 0.71 C ATOM 3056 CG GLU B 79 0.074 -7.056 -0.107 1.00 0.77 C ATOM 3057 CD GLU B 79 -0.993 -8.117 0.045 1.00 1.10 C ATOM 3058 OE1 GLU B 79 -1.746 -8.358 -0.926 1.00 1.59 O ATOM 3059 OE2 GLU B 79 -1.075 -8.729 1.129 1.00 1.74 O ATOM 0 H GLU B 79 -0.894 -3.620 -1.846 1.00 0.65 H new ATOM 0 HA GLU B 79 1.073 -4.456 -0.024 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.227 -5.355 -0.156 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -0.884 -6.041 -1.732 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.898 -7.460 -0.695 1.00 0.77 H new ATOM 0 HG3 GLU B 79 0.475 -6.809 0.876 1.00 0.77 H new ATOM 3066 N LYS B 80 1.631 -5.205 -3.168 1.00 0.67 N ATOM 3067 CA LYS B 80 2.633 -5.718 -4.095 1.00 0.69 C ATOM 3068 C LYS B 80 3.978 -5.046 -3.857 1.00 0.68 C ATOM 3069 O LYS B 80 5.028 -5.678 -3.966 1.00 0.72 O ATOM 3070 CB LYS B 80 2.192 -5.488 -5.539 1.00 0.72 C ATOM 3071 CG LYS B 80 0.973 -6.306 -5.943 1.00 0.79 C ATOM 3072 CD LYS B 80 0.751 -6.288 -7.449 1.00 1.18 C ATOM 3073 CE LYS B 80 1.833 -7.068 -8.187 1.00 1.78 C ATOM 3074 NZ LYS B 80 1.842 -8.507 -7.814 1.00 2.05 N ATOM 0 H LYS B 80 0.832 -4.758 -3.617 1.00 0.67 H new ATOM 0 HA LYS B 80 2.738 -6.789 -3.921 1.00 0.69 H new ATOM 0 HB2 LYS B 80 1.971 -4.430 -5.678 1.00 0.72 H new ATOM 0 HB3 LYS B 80 3.019 -5.731 -6.206 1.00 0.72 H new ATOM 0 HG2 LYS B 80 1.099 -7.335 -5.607 1.00 0.79 H new ATOM 0 HG3 LYS B 80 0.089 -5.913 -5.441 1.00 0.79 H new ATOM 0 HD2 LYS B 80 -0.226 -6.714 -7.678 1.00 1.18 H new ATOM 0 HD3 LYS B 80 0.740 -5.257 -7.803 1.00 1.18 H new ATOM 0 HE2 LYS B 80 1.677 -6.974 -9.262 1.00 1.78 H new ATOM 0 HE3 LYS B 80 2.807 -6.631 -7.967 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 2.390 -9.044 -8.516 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 2.276 -8.620 -6.876 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 0.866 -8.865 -7.789 1.00 2.05 H new ATOM 3088 N LEU B 81 3.936 -3.764 -3.516 1.00 0.65 N ATOM 3089 CA LEU B 81 5.151 -3.009 -3.247 1.00 0.67 C ATOM 3090 C LEU B 81 5.748 -3.435 -1.911 1.00 0.68 C ATOM 3091 O LEU B 81 6.965 -3.531 -1.763 1.00 0.72 O ATOM 3092 CB LEU B 81 4.864 -1.502 -3.239 1.00 0.67 C ATOM 3093 CG LEU B 81 5.149 -0.763 -4.554 1.00 0.78 C ATOM 3094 CD1 LEU B 81 6.627 -0.846 -4.905 1.00 1.02 C ATOM 3095 CD2 LEU B 81 4.297 -1.321 -5.687 1.00 0.97 C ATOM 0 H LEU B 81 3.074 -3.227 -3.420 1.00 0.65 H new ATOM 0 HA LEU B 81 5.868 -3.219 -4.040 1.00 0.67 H new ATOM 0 HB2 LEU B 81 3.816 -1.352 -2.979 1.00 0.67 H new ATOM 0 HB3 LEU B 81 5.458 -1.042 -2.449 1.00 0.67 H new ATOM 0 HG LEU B 81 4.886 0.286 -4.417 1.00 0.78 H new ATOM 0 HD11 LEU B 81 6.809 -0.316 -5.840 1.00 1.02 H new ATOM 0 HD12 LEU B 81 7.216 -0.390 -4.109 1.00 1.02 H new ATOM 0 HD13 LEU B 81 6.916 -1.891 -5.018 1.00 1.02 H new ATOM 0 HD21 LEU B 81 4.517 -0.781 -6.608 1.00 0.97 H new ATOM 0 HD22 LEU B 81 4.522 -2.379 -5.824 1.00 0.97 H new ATOM 0 HD23 LEU B 81 3.242 -1.203 -5.441 1.00 0.97 H new ATOM 3107 N ILE B 82 4.877 -3.710 -0.949 1.00 0.68 N ATOM 3108 CA ILE B 82 5.309 -4.140 0.376 1.00 0.72 C ATOM 3109 C ILE B 82 6.020 -5.490 0.283 1.00 0.77 C ATOM 3110 O ILE B 82 6.983 -5.746 1.004 1.00 0.81 O ATOM 3111 CB ILE B 82 4.120 -4.245 1.361 1.00 0.72 C ATOM 3112 CG1 ILE B 82 3.305 -2.944 1.351 1.00 0.70 C ATOM 3113 CG2 ILE B 82 4.622 -4.558 2.766 1.00 0.78 C ATOM 3114 CD1 ILE B 82 2.132 -2.937 2.315 1.00 0.72 C ATOM 0 H ILE B 82 3.865 -3.643 -1.061 1.00 0.68 H new ATOM 0 HA ILE B 82 5.997 -3.386 0.758 1.00 0.72 H new ATOM 0 HB ILE B 82 3.470 -5.059 1.041 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.966 -2.112 1.595 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.932 -2.770 0.342 1.00 0.70 H new ATOM 0 HG21 ILE B 82 3.775 -4.629 3.448 1.00 0.78 H new ATOM 0 HG22 ILE B 82 5.161 -5.505 2.757 1.00 0.78 H new ATOM 0 HG23 ILE B 82 5.290 -3.764 3.099 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.610 -1.983 2.246 1.00 0.72 H new ATOM 0 HD12 ILE B 82 1.447 -3.745 2.060 1.00 0.72 H new ATOM 0 HD13 ILE B 82 2.496 -3.078 3.333 1.00 0.72 H new ATOM 3126 N GLU B 83 5.547 -6.335 -0.629 1.00 0.78 N ATOM 3127 CA GLU B 83 6.127 -7.659 -0.844 1.00 0.85 C ATOM 3128 C GLU B 83 7.583 -7.543 -1.297 1.00 0.87 C ATOM 3129 O GLU B 83 8.401 -8.416 -1.016 1.00 0.94 O ATOM 3130 CB GLU B 83 5.310 -8.444 -1.879 1.00 0.88 C ATOM 3131 CG GLU B 83 5.871 -9.829 -2.172 1.00 1.11 C ATOM 3132 CD GLU B 83 5.051 -10.594 -3.190 1.00 1.73 C ATOM 3133 OE1 GLU B 83 3.961 -11.089 -2.832 1.00 2.41 O ATOM 3134 OE2 GLU B 83 5.498 -10.717 -4.351 1.00 2.25 O ATOM 0 H GLU B 83 4.756 -6.124 -1.237 1.00 0.78 H new ATOM 0 HA GLU B 83 6.101 -8.199 0.102 1.00 0.85 H new ATOM 0 HB2 GLU B 83 4.285 -8.544 -1.521 1.00 0.88 H new ATOM 0 HB3 GLU B 83 5.269 -7.873 -2.807 1.00 0.88 H new ATOM 0 HG2 GLU B 83 6.894 -9.732 -2.536 1.00 1.11 H new ATOM 0 HG3 GLU B 83 5.916 -10.401 -1.245 1.00 1.11 H new ATOM 3141 N THR B 84 7.903 -6.455 -1.986 1.00 0.83 N ATOM 3142 CA THR B 84 9.260 -6.234 -2.465 1.00 0.87 C ATOM 3143 C THR B 84 10.156 -5.730 -1.327 1.00 0.91 C ATOM 3144 O THR B 84 11.351 -6.020 -1.285 1.00 0.98 O ATOM 3145 CB THR B 84 9.273 -5.222 -3.627 1.00 0.84 C ATOM 3146 OG1 THR B 84 8.153 -5.471 -4.492 1.00 0.84 O ATOM 3147 CG2 THR B 84 10.568 -5.316 -4.423 1.00 0.87 C ATOM 0 H THR B 84 7.243 -5.715 -2.225 1.00 0.83 H new ATOM 0 HA THR B 84 9.648 -7.186 -2.827 1.00 0.87 H new ATOM 0 HB THR B 84 9.203 -4.218 -3.210 1.00 0.84 H new ATOM 0 HG1 THR B 84 8.160 -4.826 -5.230 1.00 0.84 H new ATOM 0 HG21 THR B 84 10.549 -4.590 -5.236 1.00 0.87 H new ATOM 0 HG22 THR B 84 11.414 -5.105 -3.768 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.670 -6.320 -4.835 1.00 0.87 H new ATOM 3155 N LEU B 85 9.561 -4.974 -0.408 1.00 0.90 N ATOM 3156 CA LEU B 85 10.290 -4.436 0.735 1.00 0.98 C ATOM 3157 C LEU B 85 10.588 -5.558 1.724 1.00 1.07 C ATOM 3158 O LEU B 85 11.725 -5.727 2.174 1.00 1.22 O ATOM 3159 CB LEU B 85 9.480 -3.329 1.417 1.00 0.97 C ATOM 3160 CG LEU B 85 9.133 -2.134 0.528 1.00 0.91 C ATOM 3161 CD1 LEU B 85 8.133 -1.222 1.222 1.00 1.03 C ATOM 3162 CD2 LEU B 85 10.387 -1.358 0.162 1.00 1.01 C ATOM 0 H LEU B 85 8.573 -4.720 -0.434 1.00 0.90 H new ATOM 0 HA LEU B 85 11.229 -4.006 0.386 1.00 0.98 H new ATOM 0 HB2 LEU B 85 8.554 -3.760 1.797 1.00 0.97 H new ATOM 0 HB3 LEU B 85 10.041 -2.969 2.279 1.00 0.97 H new ATOM 0 HG LEU B 85 8.679 -2.512 -0.388 1.00 0.91 H new ATOM 0 HD11 LEU B 85 7.899 -0.378 0.573 1.00 1.03 H new ATOM 0 HD12 LEU B 85 7.221 -1.779 1.436 1.00 1.03 H new ATOM 0 HD13 LEU B 85 8.562 -0.855 2.155 1.00 1.03 H new ATOM 0 HD21 LEU B 85 10.119 -0.512 -0.471 1.00 1.01 H new ATOM 0 HD22 LEU B 85 10.868 -0.994 1.070 1.00 1.01 H new ATOM 0 HD23 LEU B 85 11.074 -2.010 -0.376 1.00 1.01 H new ATOM 3174 N SER B 86 9.558 -6.327 2.050 1.00 1.08 N ATOM 3175 CA SER B 86 9.695 -7.452 2.961 1.00 1.20 C ATOM 3176 C SER B 86 9.225 -8.733 2.272 1.00 1.59 C ATOM 3177 O SER B 86 8.078 -9.158 2.429 1.00 2.11 O ATOM 3178 CB SER B 86 8.891 -7.200 4.238 1.00 1.48 C ATOM 3179 OG SER B 86 9.093 -5.879 4.713 1.00 1.78 O ATOM 0 H SER B 86 8.612 -6.189 1.693 1.00 1.08 H new ATOM 0 HA SER B 86 10.744 -7.566 3.235 1.00 1.20 H new ATOM 0 HB2 SER B 86 7.831 -7.362 4.043 1.00 1.48 H new ATOM 0 HB3 SER B 86 9.187 -7.915 5.005 1.00 1.48 H new ATOM 0 HG SER B 86 8.568 -5.741 5.529 1.00 1.78 H new