USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 800 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 23 ASN : amide:sc= -2.73 K(o=-5.6,f=-19!) USER MOD Set 1.2: B 26 GLN : amide:sc= -1.5 K(o=-5.6,f=-9.5!) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.36 K(o=-5.6,f=-6.3) USER MOD Set 2.1: A 28 ASN : amide:sc= -5.19! C(o=-5.4!,f=-11!) USER MOD Set 2.2: B 7 LYS NZ :NH3+ 176:sc= 0.00995 (180deg=0) USER MOD Set 2.3: B 10 SER OG : rot -111:sc= -0.228 USER MOD Set 3.1: A 21 ASN : amide:sc= -0.991 K(o=-1.4,f=-4.7!) USER MOD Set 3.2: A 52 ASN : amide:sc= -0.379 K(o=-1.4,f=-9.5!) USER MOD Set 4.1: A 14 TYR OH : rot 180:sc= -0.735! USER MOD Set 4.2: A 18 HIS : no HD1:sc= -20.3! C(o=-21!,f=-26!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0599) USER MOD Single : A 9 GLN : amide:sc= -1.36! C(o=-1.4!,f=-1.9!) USER MOD Single : A 10 GLN : amide:sc= -12.8! C(o=-13!,f=-15!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.228 K(o=-0.23,f=-11!) USER MOD Single : A 26 GLN : amide:sc= -0.619 K(o=-0.62,f=-4!) USER MOD Single : A 32 GLN : amide:sc= -0.483 K(o=-0.48,f=-1.8) USER MOD Single : A 33 SER OG : rot 21:sc= -0.229 USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= 0.507 (180deg=0.286) USER MOD Single : A 39 SER OG : rot 48:sc= 0.0973 USER MOD Single : A 40 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.8) USER MOD Single : A 41 SER OG : rot -95:sc= 0.925 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0565) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.75 K(o=-1.7,f=-4.8!) USER MOD Single : B 6 ASN : amide:sc= -3.26 K(o=-3.3,f=-7.6!) USER MOD Single : B 18 THR OG1 : rot -67:sc= 1.26 USER MOD Single : B 21 ASN : amide:sc= -3.33! C(o=-3.3!,f=-4.3!) USER MOD Single : B 27 LYS NZ :NH3+ 161:sc= 0.53 (180deg=0.329) USER MOD Single : B 28 LYS NZ :NH3+ 130:sc= 0.0141 (180deg=-0.144) USER MOD Single : B 33 SER OG : rot -28:sc= 0.00802 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : B 41 SER OG : rot -92:sc= 0.787 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 168:sc= 0.248 (180deg=0.152) USER MOD Single : B 50 LYS NZ :NH3+ -165:sc= 0.608 (180deg=0.432) USER MOD Single : B 52 ASN : amide:sc= -3.52! C(o=-3.5!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.426 -14.118 6.760 1.00 0.00 N ATOM 68 CA PHE A 5 4.455 -13.455 5.405 1.00 0.00 C ATOM 69 C PHE A 5 3.048 -13.054 4.926 1.00 0.00 C ATOM 70 O PHE A 5 2.916 -12.099 4.182 1.00 0.00 O ATOM 71 CB PHE A 5 5.095 -14.462 4.430 1.00 0.00 C ATOM 72 CG PHE A 5 6.547 -14.770 4.797 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.282 -13.933 5.662 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.157 -15.912 4.261 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.608 -14.244 5.979 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.485 -16.217 4.581 1.00 0.00 C ATOM 77 CZ PHE A 5 9.210 -15.384 5.438 1.00 0.00 C ATOM 0 HA PHE A 5 5.030 -12.530 5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.517 -15.386 4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.054 -14.062 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.820 -13.051 6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.601 -16.559 3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.168 -13.602 6.643 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.951 -17.098 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.235 -15.621 5.682 1.00 0.00 H new ATOM 87 N ASN A 6 2.004 -13.759 5.351 1.00 0.00 N ATOM 88 CA ASN A 6 0.602 -13.401 4.925 1.00 0.00 C ATOM 89 C ASN A 6 0.340 -11.899 5.179 1.00 0.00 C ATOM 90 O ASN A 6 0.023 -11.169 4.254 1.00 0.00 O ATOM 91 CB ASN A 6 -0.317 -14.277 5.795 1.00 0.00 C ATOM 92 CG ASN A 6 -1.774 -14.116 5.352 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.536 -13.412 5.985 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.201 -14.743 4.288 1.00 0.00 N ATOM 0 H ASN A 6 2.069 -14.564 5.973 1.00 0.00 H new ATOM 0 HA ASN A 6 0.431 -13.574 3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.018 -15.322 5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.215 -13.996 6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.171 -14.641 3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.564 -15.335 3.755 1.00 0.00 H new ATOM 101 N LYS A 7 0.521 -11.429 6.405 1.00 0.00 N ATOM 102 CA LYS A 7 0.338 -9.965 6.679 1.00 0.00 C ATOM 103 C LYS A 7 1.671 -9.206 6.586 1.00 0.00 C ATOM 104 O LYS A 7 1.650 -8.027 6.398 1.00 0.00 O ATOM 105 CB LYS A 7 -0.279 -9.821 8.069 1.00 0.00 C ATOM 106 CG LYS A 7 -0.152 -8.372 8.548 1.00 0.00 C ATOM 107 CD LYS A 7 -0.640 -8.292 9.975 1.00 0.00 C ATOM 108 CE LYS A 7 -0.377 -6.888 10.546 1.00 0.00 C ATOM 109 NZ LYS A 7 1.058 -6.883 10.977 1.00 0.00 N ATOM 0 H LYS A 7 0.784 -11.993 7.213 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.321 -9.529 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.329 -10.114 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.221 -10.490 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.885 -8.042 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.738 -7.710 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.706 -8.516 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.133 -9.041 10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.562 -6.120 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.038 -6.678 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.109 -6.806 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.515 -7.766 10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.547 -6.073 10.545 1.00 0.00 H new ATOM 123 N GLU A 8 2.824 -9.836 6.697 1.00 0.00 N ATOM 124 CA GLU A 8 4.100 -9.040 6.560 1.00 0.00 C ATOM 125 C GLU A 8 4.096 -8.393 5.178 1.00 0.00 C ATOM 126 O GLU A 8 4.419 -7.236 5.044 1.00 0.00 O ATOM 127 CB GLU A 8 5.282 -9.991 6.689 1.00 0.00 C ATOM 128 CG GLU A 8 5.464 -10.419 8.147 1.00 0.00 C ATOM 129 CD GLU A 8 5.870 -9.216 9.010 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.965 -8.706 8.813 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.088 -8.835 9.866 1.00 0.00 O ATOM 0 H GLU A 8 2.939 -10.834 6.871 1.00 0.00 H new ATOM 0 HA GLU A 8 4.175 -8.272 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.121 -10.869 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.189 -9.505 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.537 -10.850 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.226 -11.196 8.213 1.00 0.00 H new ATOM 138 N GLN A 9 3.633 -9.118 4.167 1.00 0.00 N ATOM 139 CA GLN A 9 3.485 -8.522 2.806 1.00 0.00 C ATOM 140 C GLN A 9 2.426 -7.409 2.895 1.00 0.00 C ATOM 141 O GLN A 9 2.550 -6.371 2.301 1.00 0.00 O ATOM 142 CB GLN A 9 2.976 -9.637 1.881 1.00 0.00 C ATOM 143 CG GLN A 9 4.044 -10.706 1.648 1.00 0.00 C ATOM 144 CD GLN A 9 3.434 -11.838 0.817 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.844 -12.755 1.357 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.548 -11.821 -0.487 1.00 0.00 N ATOM 0 H GLN A 9 3.355 -10.097 4.239 1.00 0.00 H new ATOM 0 HA GLN A 9 4.423 -8.112 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.089 -10.097 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.675 -9.208 0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.901 -10.277 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.408 -11.091 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.041 -11.055 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.143 -12.574 -1.044 1.00 0.00 H new ATOM 155 N GLN A 10 1.397 -7.653 3.681 1.00 0.00 N ATOM 156 CA GLN A 10 0.293 -6.670 3.907 1.00 0.00 C ATOM 157 C GLN A 10 0.783 -5.430 4.651 1.00 0.00 C ATOM 158 O GLN A 10 0.559 -4.321 4.211 1.00 0.00 O ATOM 159 CB GLN A 10 -0.707 -7.460 4.748 1.00 0.00 C ATOM 160 CG GLN A 10 -2.034 -6.776 4.717 1.00 0.00 C ATOM 161 CD GLN A 10 -2.438 -6.443 3.306 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.024 -7.257 2.634 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.137 -5.249 2.841 1.00 0.00 N ATOM 0 H GLN A 10 1.279 -8.528 4.191 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.131 -6.290 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.800 -8.475 4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.351 -7.540 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.788 -7.417 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.990 -5.863 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.641 -4.582 3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.400 -4.991 1.890 1.00 0.00 H new ATOM 172 N ASN A 11 1.457 -5.616 5.755 1.00 0.00 N ATOM 173 CA ASN A 11 1.996 -4.470 6.536 1.00 0.00 C ATOM 174 C ASN A 11 3.090 -3.784 5.713 1.00 0.00 C ATOM 175 O ASN A 11 3.159 -2.580 5.667 1.00 0.00 O ATOM 176 CB ASN A 11 2.596 -5.084 7.809 1.00 0.00 C ATOM 177 CG ASN A 11 2.833 -3.982 8.845 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.911 -3.549 9.508 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.037 -3.504 9.013 1.00 0.00 N ATOM 0 H ASN A 11 1.659 -6.533 6.154 1.00 0.00 H new ATOM 0 HA ASN A 11 1.233 -3.729 6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.922 -5.839 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.535 -5.586 7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.202 -2.768 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.812 -3.866 8.457 1.00 0.00 H new ATOM 186 N ALA A 12 3.935 -4.560 5.048 1.00 0.00 N ATOM 187 CA ALA A 12 5.018 -3.968 4.200 1.00 0.00 C ATOM 188 C ALA A 12 4.394 -3.221 3.026 1.00 0.00 C ATOM 189 O ALA A 12 4.773 -2.109 2.747 1.00 0.00 O ATOM 190 CB ALA A 12 5.859 -5.136 3.695 1.00 0.00 C ATOM 0 H ALA A 12 3.913 -5.580 5.063 1.00 0.00 H new ATOM 0 HA ALA A 12 5.629 -3.262 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.667 -4.758 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.280 -5.675 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.232 -5.810 3.111 1.00 0.00 H new ATOM 196 N PHE A 13 3.405 -3.816 2.371 1.00 0.00 N ATOM 197 CA PHE A 13 2.704 -3.119 1.240 1.00 0.00 C ATOM 198 C PHE A 13 2.119 -1.828 1.791 1.00 0.00 C ATOM 199 O PHE A 13 2.417 -0.748 1.324 1.00 0.00 O ATOM 200 CB PHE A 13 1.559 -4.065 0.796 1.00 0.00 C ATOM 201 CG PHE A 13 0.600 -3.318 -0.092 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.072 -2.736 -1.262 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.755 -3.232 0.242 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.196 -2.064 -2.102 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.634 -2.569 -0.602 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.160 -1.985 -1.770 1.00 0.00 C ATOM 0 H PHE A 13 3.059 -4.753 2.577 1.00 0.00 H new ATOM 0 HA PHE A 13 3.366 -2.892 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.969 -4.923 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.035 -4.452 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.119 -2.807 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.117 -3.681 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.560 -1.604 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.683 -2.507 -0.352 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.843 -1.466 -2.426 1.00 0.00 H new ATOM 216 N TYR A 14 1.317 -1.980 2.816 1.00 0.00 N ATOM 217 CA TYR A 14 0.675 -0.834 3.502 1.00 0.00 C ATOM 218 C TYR A 14 1.720 0.238 3.851 1.00 0.00 C ATOM 219 O TYR A 14 1.594 1.375 3.446 1.00 0.00 O ATOM 220 CB TYR A 14 0.104 -1.490 4.760 1.00 0.00 C ATOM 221 CG TYR A 14 -0.556 -0.481 5.633 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.812 0.008 5.295 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.091 -0.043 6.787 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.425 0.927 6.105 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.521 0.894 7.609 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.781 1.385 7.276 1.00 0.00 C ATOM 227 OH TYR A 14 -2.392 2.335 8.079 1.00 0.00 O ATOM 0 H TYR A 14 1.078 -2.888 3.214 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.078 -0.320 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.615 -2.260 4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.903 -1.986 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.303 -0.335 4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.066 -0.431 7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.404 1.303 5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.022 1.240 8.502 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.814 2.538 8.844 1.00 0.00 H new ATOM 237 N GLU A 15 2.761 -0.135 4.566 1.00 0.00 N ATOM 238 CA GLU A 15 3.830 0.847 4.938 1.00 0.00 C ATOM 239 C GLU A 15 4.506 1.419 3.682 1.00 0.00 C ATOM 240 O GLU A 15 4.689 2.611 3.608 1.00 0.00 O ATOM 241 CB GLU A 15 4.825 0.074 5.811 1.00 0.00 C ATOM 242 CG GLU A 15 4.202 -0.249 7.186 1.00 0.00 C ATOM 243 CD GLU A 15 3.883 1.047 7.945 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.810 1.787 8.241 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.718 1.270 8.230 1.00 0.00 O ATOM 0 H GLU A 15 2.914 -1.084 4.908 1.00 0.00 H new ATOM 0 HA GLU A 15 3.422 1.702 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.115 -0.850 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.733 0.662 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.292 -0.833 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.890 -0.860 7.770 1.00 0.00 H new ATOM 252 N ILE A 16 4.824 0.600 2.672 1.00 0.00 N ATOM 253 CA ILE A 16 5.437 1.156 1.395 1.00 0.00 C ATOM 254 C ILE A 16 4.549 2.309 0.880 1.00 0.00 C ATOM 255 O ILE A 16 5.034 3.371 0.530 1.00 0.00 O ATOM 256 CB ILE A 16 5.494 -0.038 0.393 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.871 -0.702 0.519 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.279 0.410 -1.066 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.721 -2.215 0.535 1.00 0.00 C ATOM 0 H ILE A 16 4.687 -0.411 2.680 1.00 0.00 H new ATOM 0 HA ILE A 16 6.437 1.564 1.540 1.00 0.00 H new ATOM 0 HB ILE A 16 4.691 -0.732 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.507 -0.400 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.363 -0.368 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.328 -0.458 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.302 0.883 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.055 1.122 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.704 -2.677 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.102 -2.510 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.249 -2.544 -0.391 1.00 0.00 H new ATOM 271 N LEU A 17 3.254 2.090 0.875 1.00 0.00 N ATOM 272 CA LEU A 17 2.280 3.154 0.433 1.00 0.00 C ATOM 273 C LEU A 17 2.240 4.317 1.448 1.00 0.00 C ATOM 274 O LEU A 17 2.179 5.472 1.067 1.00 0.00 O ATOM 275 CB LEU A 17 0.908 2.469 0.394 1.00 0.00 C ATOM 276 CG LEU A 17 0.934 1.307 -0.590 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.160 0.143 -0.031 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.243 1.682 -1.867 1.00 0.00 C ATOM 0 H LEU A 17 2.821 1.212 1.161 1.00 0.00 H new ATOM 0 HA LEU A 17 2.567 3.570 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.644 2.109 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.142 3.187 0.101 1.00 0.00 H new ATOM 0 HG LEU A 17 1.980 1.054 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.183 -0.684 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.609 -0.174 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.873 0.443 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.272 0.839 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.794 1.943 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.748 2.537 -2.317 1.00 0.00 H new ATOM 290 N HIS A 18 2.264 4.013 2.738 1.00 0.00 N ATOM 291 CA HIS A 18 2.213 5.093 3.786 1.00 0.00 C ATOM 292 C HIS A 18 3.530 5.907 3.848 1.00 0.00 C ATOM 293 O HIS A 18 3.518 7.039 4.299 1.00 0.00 O ATOM 294 CB HIS A 18 1.971 4.384 5.134 1.00 0.00 C ATOM 295 CG HIS A 18 0.509 4.057 5.289 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.449 5.009 5.645 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.202 2.905 5.089 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.644 4.383 5.624 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.527 3.151 5.287 1.00 0.00 N ATOM 0 H HIS A 18 2.317 3.063 3.105 1.00 0.00 H new ATOM 0 HA HIS A 18 1.421 5.803 3.548 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.564 3.471 5.185 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.298 5.023 5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.221 1.950 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.583 4.860 5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.287 2.478 5.186 1.00 0.00 H new ATOM 307 N LEU A 19 4.661 5.345 3.411 1.00 0.00 N ATOM 308 CA LEU A 19 5.970 6.103 3.462 1.00 0.00 C ATOM 309 C LEU A 19 5.848 7.413 2.650 1.00 0.00 C ATOM 310 O LEU A 19 5.589 7.370 1.457 1.00 0.00 O ATOM 311 CB LEU A 19 7.042 5.193 2.825 1.00 0.00 C ATOM 312 CG LEU A 19 7.421 4.019 3.749 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.366 3.087 2.994 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.126 4.514 5.018 1.00 0.00 C ATOM 0 H LEU A 19 4.726 4.403 3.026 1.00 0.00 H new ATOM 0 HA LEU A 19 6.233 6.360 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.671 4.804 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.932 5.781 2.602 1.00 0.00 H new ATOM 0 HG LEU A 19 6.508 3.499 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.643 2.251 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.868 2.709 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.263 3.635 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.380 3.662 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.036 5.047 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.463 5.185 5.564 1.00 0.00 H new ATOM 326 N PRO A 20 6.022 8.537 3.330 1.00 0.00 N ATOM 327 CA PRO A 20 5.908 9.875 2.664 1.00 0.00 C ATOM 328 C PRO A 20 7.040 10.159 1.649 1.00 0.00 C ATOM 329 O PRO A 20 6.901 11.053 0.831 1.00 0.00 O ATOM 330 CB PRO A 20 5.977 10.861 3.832 1.00 0.00 C ATOM 331 CG PRO A 20 6.706 10.129 4.910 1.00 0.00 C ATOM 332 CD PRO A 20 6.334 8.680 4.765 1.00 0.00 C ATOM 0 HA PRO A 20 4.994 9.944 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.502 11.773 3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.980 11.156 4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.783 10.265 4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.425 10.506 5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.153 8.025 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.477 8.423 5.388 1.00 0.00 H new ATOM 340 N ASN A 21 8.153 9.435 1.688 1.00 0.00 N ATOM 341 CA ASN A 21 9.263 9.715 0.718 1.00 0.00 C ATOM 342 C ASN A 21 9.331 8.657 -0.408 1.00 0.00 C ATOM 343 O ASN A 21 10.184 8.749 -1.275 1.00 0.00 O ATOM 344 CB ASN A 21 10.544 9.720 1.564 1.00 0.00 C ATOM 345 CG ASN A 21 10.464 10.813 2.634 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.167 10.540 3.780 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.726 12.042 2.310 1.00 0.00 N ATOM 0 H ASN A 21 8.330 8.674 2.344 1.00 0.00 H new ATOM 0 HA ASN A 21 9.111 10.664 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.681 8.747 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.411 9.889 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.682 12.776 3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.976 12.274 1.349 1.00 0.00 H new ATOM 354 N LEU A 22 8.427 7.679 -0.436 1.00 0.00 N ATOM 355 CA LEU A 22 8.447 6.670 -1.547 1.00 0.00 C ATOM 356 C LEU A 22 7.635 7.205 -2.728 1.00 0.00 C ATOM 357 O LEU A 22 6.587 7.810 -2.551 1.00 0.00 O ATOM 358 CB LEU A 22 7.813 5.366 -1.013 1.00 0.00 C ATOM 359 CG LEU A 22 8.799 4.536 -0.150 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.468 3.052 -0.305 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.247 4.744 -0.596 1.00 0.00 C ATOM 0 H LEU A 22 7.691 7.547 0.258 1.00 0.00 H new ATOM 0 HA LEU A 22 9.467 6.480 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.933 5.611 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.472 4.761 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 22 8.696 4.863 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.157 2.461 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.446 2.870 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.565 2.765 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.910 4.147 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.355 4.435 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.509 5.798 -0.501 1.00 0.00 H new ATOM 373 N ASN A 23 8.115 6.982 -3.928 1.00 0.00 N ATOM 374 CA ASN A 23 7.388 7.470 -5.149 1.00 0.00 C ATOM 375 C ASN A 23 6.912 6.292 -6.002 1.00 0.00 C ATOM 376 O ASN A 23 6.897 5.163 -5.561 1.00 0.00 O ATOM 377 CB ASN A 23 8.381 8.364 -5.924 1.00 0.00 C ATOM 378 CG ASN A 23 9.526 7.546 -6.558 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.926 6.522 -6.044 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.068 7.959 -7.672 1.00 0.00 N ATOM 0 H ASN A 23 8.983 6.481 -4.118 1.00 0.00 H new ATOM 0 HA ASN A 23 6.495 8.034 -4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.847 8.905 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.800 9.110 -5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.821 7.422 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.739 8.818 -8.112 1.00 0.00 H new ATOM 387 N GLU A 24 6.522 6.564 -7.219 1.00 0.00 N ATOM 388 CA GLU A 24 6.026 5.476 -8.132 1.00 0.00 C ATOM 389 C GLU A 24 7.137 4.438 -8.380 1.00 0.00 C ATOM 390 O GLU A 24 6.884 3.259 -8.417 1.00 0.00 O ATOM 391 CB GLU A 24 5.679 6.148 -9.484 1.00 0.00 C ATOM 392 CG GLU A 24 4.680 7.316 -9.334 1.00 0.00 C ATOM 393 CD GLU A 24 3.415 6.893 -8.578 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.825 5.883 -8.934 1.00 0.00 O ATOM 395 OE2 GLU A 24 3.049 7.607 -7.659 1.00 0.00 O ATOM 0 H GLU A 24 6.523 7.498 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 24 5.166 4.974 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.595 6.516 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.259 5.401 -10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.161 8.139 -8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.406 7.688 -10.321 1.00 0.00 H new ATOM 402 N GLU A 25 8.363 4.872 -8.554 1.00 0.00 N ATOM 403 CA GLU A 25 9.473 3.897 -8.811 1.00 0.00 C ATOM 404 C GLU A 25 9.736 3.021 -7.573 1.00 0.00 C ATOM 405 O GLU A 25 9.800 1.810 -7.671 1.00 0.00 O ATOM 406 CB GLU A 25 10.704 4.761 -9.128 1.00 0.00 C ATOM 407 CG GLU A 25 11.880 3.868 -9.551 1.00 0.00 C ATOM 408 CD GLU A 25 13.167 4.700 -9.607 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.646 5.091 -8.552 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.657 4.924 -10.702 1.00 0.00 O ATOM 0 H GLU A 25 8.643 5.853 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 25 9.228 3.216 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.468 5.466 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.980 5.349 -8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.997 3.046 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.680 3.424 -10.526 1.00 0.00 H new ATOM 417 N GLN A 26 9.900 3.633 -6.420 1.00 0.00 N ATOM 418 CA GLN A 26 10.197 2.851 -5.167 1.00 0.00 C ATOM 419 C GLN A 26 8.951 2.125 -4.631 1.00 0.00 C ATOM 420 O GLN A 26 8.985 0.928 -4.437 1.00 0.00 O ATOM 421 CB GLN A 26 10.726 3.877 -4.143 1.00 0.00 C ATOM 422 CG GLN A 26 11.930 4.659 -4.720 1.00 0.00 C ATOM 423 CD GLN A 26 13.125 3.732 -4.980 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.997 3.602 -4.151 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.213 3.090 -6.114 1.00 0.00 N ATOM 0 H GLN A 26 9.841 4.643 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 26 10.928 2.067 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.931 4.572 -3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.024 3.364 -3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.637 5.148 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.222 5.446 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.482 3.195 -6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.013 2.484 -6.296 1.00 0.00 H new ATOM 434 N ARG A 27 7.863 2.835 -4.386 1.00 0.00 N ATOM 435 CA ARG A 27 6.620 2.175 -3.837 1.00 0.00 C ATOM 436 C ARG A 27 6.053 1.089 -4.782 1.00 0.00 C ATOM 437 O ARG A 27 5.735 0.001 -4.340 1.00 0.00 O ATOM 438 CB ARG A 27 5.570 3.297 -3.699 1.00 0.00 C ATOM 439 CG ARG A 27 4.193 2.697 -3.379 1.00 0.00 C ATOM 440 CD ARG A 27 3.125 3.784 -3.438 1.00 0.00 C ATOM 441 NE ARG A 27 2.863 3.984 -4.895 1.00 0.00 N ATOM 442 CZ ARG A 27 2.831 5.189 -5.407 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.827 6.020 -5.209 1.00 0.00 N ATOM 444 NH2 ARG A 27 1.799 5.557 -6.121 1.00 0.00 N ATOM 0 H ARG A 27 7.782 3.840 -4.542 1.00 0.00 H new ATOM 0 HA ARG A 27 6.859 1.683 -2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.866 3.988 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.518 3.873 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.958 1.905 -4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.206 2.242 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.221 3.479 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.471 4.705 -2.968 1.00 0.00 H new ATOM 0 HE ARG A 27 2.708 3.175 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.632 5.729 -4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.797 6.957 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.028 4.908 -6.275 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.765 6.494 -6.524 1.00 0.00 H new ATOM 458 N ASN A 28 5.873 1.399 -6.059 1.00 0.00 N ATOM 459 CA ASN A 28 5.260 0.392 -7.008 1.00 0.00 C ATOM 460 C ASN A 28 6.199 -0.801 -7.193 1.00 0.00 C ATOM 461 O ASN A 28 5.755 -1.934 -7.185 1.00 0.00 O ATOM 462 CB ASN A 28 5.034 1.094 -8.357 1.00 0.00 C ATOM 463 CG ASN A 28 4.255 2.418 -8.221 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.749 2.753 -7.169 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.145 3.196 -9.263 1.00 0.00 N ATOM 0 H ASN A 28 6.121 2.295 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 28 4.317 0.022 -6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.999 1.292 -8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.489 0.424 -9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.637 4.078 -9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.567 2.923 -10.150 1.00 0.00 H new ATOM 472 N ALA A 29 7.497 -0.556 -7.324 1.00 0.00 N ATOM 473 CA ALA A 29 8.471 -1.691 -7.465 1.00 0.00 C ATOM 474 C ALA A 29 8.398 -2.580 -6.228 1.00 0.00 C ATOM 475 O ALA A 29 8.461 -3.789 -6.324 1.00 0.00 O ATOM 476 CB ALA A 29 9.838 -1.046 -7.527 1.00 0.00 C ATOM 0 H ALA A 29 7.913 0.375 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 29 8.260 -2.300 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.600 -1.818 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.884 -0.373 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.016 -0.481 -6.612 1.00 0.00 H new ATOM 482 N PHE A 30 8.235 -1.970 -5.068 1.00 0.00 N ATOM 483 CA PHE A 30 8.112 -2.752 -3.804 1.00 0.00 C ATOM 484 C PHE A 30 6.888 -3.616 -3.855 1.00 0.00 C ATOM 485 O PHE A 30 6.947 -4.772 -3.538 1.00 0.00 O ATOM 486 CB PHE A 30 7.979 -1.718 -2.692 1.00 0.00 C ATOM 487 CG PHE A 30 9.350 -1.213 -2.309 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.491 -2.006 -2.526 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.481 0.036 -1.716 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.732 -1.556 -2.141 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.737 0.492 -1.342 1.00 0.00 C ATOM 492 CZ PHE A 30 11.861 -0.315 -1.555 1.00 0.00 C ATOM 0 H PHE A 30 8.183 -0.958 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 30 8.969 -3.406 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.354 -0.889 -3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.487 -2.161 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.392 -2.973 -2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.609 0.650 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.604 -2.174 -2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.847 1.466 -0.888 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.837 0.038 -1.258 1.00 0.00 H new ATOM 502 N ILE A 31 5.796 -3.065 -4.295 1.00 0.00 N ATOM 503 CA ILE A 31 4.546 -3.856 -4.427 1.00 0.00 C ATOM 504 C ILE A 31 4.767 -4.987 -5.457 1.00 0.00 C ATOM 505 O ILE A 31 4.185 -6.041 -5.329 1.00 0.00 O ATOM 506 CB ILE A 31 3.494 -2.821 -4.835 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.326 -1.846 -3.661 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.168 -3.496 -5.130 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.615 -0.584 -4.112 1.00 0.00 C ATOM 0 H ILE A 31 5.715 -2.087 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 31 4.226 -4.369 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 31 3.813 -2.298 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.758 -2.324 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.303 -1.592 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.433 -2.744 -5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.296 -4.209 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.821 -4.020 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.506 0.094 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.198 -0.097 -4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.630 -0.841 -4.501 1.00 0.00 H new ATOM 521 N GLN A 32 5.653 -4.799 -6.436 1.00 0.00 N ATOM 522 CA GLN A 32 5.955 -5.908 -7.412 1.00 0.00 C ATOM 523 C GLN A 32 6.822 -6.983 -6.713 1.00 0.00 C ATOM 524 O GLN A 32 6.507 -8.159 -6.756 1.00 0.00 O ATOM 525 CB GLN A 32 6.707 -5.248 -8.581 1.00 0.00 C ATOM 526 CG GLN A 32 5.748 -4.344 -9.367 1.00 0.00 C ATOM 527 CD GLN A 32 6.510 -3.615 -10.477 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.974 -2.509 -10.285 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.660 -4.190 -11.641 1.00 0.00 N ATOM 0 H GLN A 32 6.169 -3.933 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 32 5.055 -6.406 -7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.546 -4.663 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.122 -6.013 -9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.943 -4.940 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.285 -3.620 -8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.271 -5.119 -11.805 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.166 -3.710 -12.386 1.00 0.00 H new ATOM 538 N SER A 33 7.884 -6.569 -6.028 1.00 0.00 N ATOM 539 CA SER A 33 8.767 -7.534 -5.266 1.00 0.00 C ATOM 540 C SER A 33 8.026 -8.121 -4.041 1.00 0.00 C ATOM 541 O SER A 33 8.327 -9.205 -3.592 1.00 0.00 O ATOM 542 CB SER A 33 9.995 -6.717 -4.820 1.00 0.00 C ATOM 543 OG SER A 33 9.592 -5.456 -4.289 1.00 0.00 O ATOM 0 H SER A 33 8.176 -5.594 -5.966 1.00 0.00 H new ATOM 0 HA SER A 33 9.052 -8.382 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.555 -7.273 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.664 -6.564 -5.667 1.00 0.00 H new ATOM 0 HG SER A 33 8.655 -5.504 -4.008 1.00 0.00 H new ATOM 549 N LEU A 34 7.081 -7.386 -3.505 1.00 0.00 N ATOM 550 CA LEU A 34 6.305 -7.828 -2.301 1.00 0.00 C ATOM 551 C LEU A 34 5.134 -8.759 -2.688 1.00 0.00 C ATOM 552 O LEU A 34 4.928 -9.775 -2.048 1.00 0.00 O ATOM 553 CB LEU A 34 5.816 -6.496 -1.715 1.00 0.00 C ATOM 554 CG LEU A 34 5.063 -6.679 -0.406 1.00 0.00 C ATOM 555 CD1 LEU A 34 6.025 -7.008 0.713 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.363 -5.372 -0.072 1.00 0.00 C ATOM 0 H LEU A 34 6.807 -6.471 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 34 6.892 -8.416 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.670 -5.839 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.168 -6.001 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 34 4.347 -7.494 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.471 -7.136 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.556 -7.930 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.742 -6.195 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.816 -5.481 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.103 -4.579 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.667 -5.118 -0.871 1.00 0.00 H new ATOM 568 N LYS A 35 4.369 -8.417 -3.717 1.00 0.00 N ATOM 569 CA LYS A 35 3.203 -9.286 -4.139 1.00 0.00 C ATOM 570 C LYS A 35 3.700 -10.651 -4.643 1.00 0.00 C ATOM 571 O LYS A 35 3.030 -11.652 -4.460 1.00 0.00 O ATOM 572 CB LYS A 35 2.455 -8.511 -5.256 1.00 0.00 C ATOM 573 CG LYS A 35 1.278 -7.732 -4.682 1.00 0.00 C ATOM 574 CD LYS A 35 0.067 -7.883 -5.608 1.00 0.00 C ATOM 575 CE LYS A 35 -1.226 -7.810 -4.787 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.793 -9.192 -4.801 1.00 0.00 N ATOM 0 H LYS A 35 4.502 -7.577 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 35 2.537 -9.488 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.143 -7.826 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.099 -9.210 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.035 -8.100 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.541 -6.679 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.074 -7.097 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.119 -8.834 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.024 -7.480 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.925 -7.096 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.461 -9.301 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.290 -9.354 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.023 -9.884 -4.701 1.00 0.00 H new ATOM 590 N ASP A 36 4.866 -10.697 -5.265 1.00 0.00 N ATOM 591 CA ASP A 36 5.410 -12.001 -5.777 1.00 0.00 C ATOM 592 C ASP A 36 6.383 -12.668 -4.775 1.00 0.00 C ATOM 593 O ASP A 36 6.510 -13.880 -4.777 1.00 0.00 O ATOM 594 CB ASP A 36 6.116 -11.649 -7.103 1.00 0.00 C ATOM 595 CG ASP A 36 5.098 -11.087 -8.122 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.022 -11.657 -8.255 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.418 -10.098 -8.761 1.00 0.00 O ATOM 0 H ASP A 36 5.460 -9.886 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 36 4.614 -12.732 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.901 -10.915 -6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.598 -12.537 -7.513 1.00 0.00 H new ATOM 602 N ASP A 37 7.056 -11.908 -3.914 1.00 0.00 N ATOM 603 CA ASP A 37 8.001 -12.536 -2.918 1.00 0.00 C ATOM 604 C ASP A 37 7.515 -12.287 -1.472 1.00 0.00 C ATOM 605 O ASP A 37 7.715 -11.210 -0.929 1.00 0.00 O ATOM 606 CB ASP A 37 9.375 -11.882 -3.153 1.00 0.00 C ATOM 607 CG ASP A 37 10.484 -12.837 -2.691 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.583 -13.074 -1.495 1.00 0.00 O ATOM 609 OD2 ASP A 37 11.216 -13.314 -3.540 1.00 0.00 O ATOM 0 H ASP A 37 6.989 -10.892 -3.863 1.00 0.00 H new ATOM 0 HA ASP A 37 8.053 -13.617 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.501 -11.646 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.440 -10.941 -2.606 1.00 0.00 H new ATOM 614 N PRO A 38 6.890 -13.303 -0.890 1.00 0.00 N ATOM 615 CA PRO A 38 6.372 -13.199 0.510 1.00 0.00 C ATOM 616 C PRO A 38 7.509 -13.117 1.555 1.00 0.00 C ATOM 617 O PRO A 38 7.390 -12.400 2.530 1.00 0.00 O ATOM 618 CB PRO A 38 5.567 -14.487 0.684 1.00 0.00 C ATOM 619 CG PRO A 38 6.165 -15.446 -0.287 1.00 0.00 C ATOM 620 CD PRO A 38 6.593 -14.627 -1.466 1.00 0.00 C ATOM 0 HA PRO A 38 5.787 -12.293 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.638 -14.862 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.509 -14.323 0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.014 -15.969 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.441 -16.205 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.468 -15.056 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.806 -14.568 -2.218 1.00 0.00 H new ATOM 628 N SER A 39 8.589 -13.854 1.363 1.00 0.00 N ATOM 629 CA SER A 39 9.725 -13.828 2.356 1.00 0.00 C ATOM 630 C SER A 39 10.428 -12.461 2.392 1.00 0.00 C ATOM 631 O SER A 39 10.819 -12.001 3.451 1.00 0.00 O ATOM 632 CB SER A 39 10.696 -14.924 1.896 1.00 0.00 C ATOM 633 OG SER A 39 11.651 -15.169 2.922 1.00 0.00 O ATOM 0 H SER A 39 8.732 -14.471 0.563 1.00 0.00 H new ATOM 0 HA SER A 39 9.360 -13.999 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.148 -15.838 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.201 -14.617 0.980 1.00 0.00 H new ATOM 0 HG SER A 39 11.190 -15.271 3.781 1.00 0.00 H new ATOM 639 N GLN A 40 10.590 -11.810 1.254 1.00 0.00 N ATOM 640 CA GLN A 40 11.269 -10.471 1.231 1.00 0.00 C ATOM 641 C GLN A 40 10.334 -9.344 1.719 1.00 0.00 C ATOM 642 O GLN A 40 10.766 -8.226 1.828 1.00 0.00 O ATOM 643 CB GLN A 40 11.642 -10.222 -0.243 1.00 0.00 C ATOM 644 CG GLN A 40 12.730 -9.142 -0.335 1.00 0.00 C ATOM 645 CD GLN A 40 12.908 -8.671 -1.789 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.468 -9.320 -2.721 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.536 -7.550 -2.026 1.00 0.00 N ATOM 0 H GLN A 40 10.280 -12.151 0.344 1.00 0.00 H new ATOM 0 HA GLN A 40 12.134 -10.471 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.997 -11.147 -0.698 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.760 -9.910 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.463 -8.295 0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.673 -9.536 0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.908 -7.000 -1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.654 -7.225 -2.985 1.00 0.00 H new ATOM 656 N SER A 41 9.058 -9.609 1.966 1.00 0.00 N ATOM 657 CA SER A 41 8.108 -8.509 2.378 1.00 0.00 C ATOM 658 C SER A 41 8.618 -7.648 3.543 1.00 0.00 C ATOM 659 O SER A 41 8.641 -6.437 3.415 1.00 0.00 O ATOM 660 CB SER A 41 6.789 -9.199 2.746 1.00 0.00 C ATOM 661 OG SER A 41 6.963 -10.018 3.899 1.00 0.00 O ATOM 0 H SER A 41 8.638 -10.536 1.900 1.00 0.00 H new ATOM 0 HA SER A 41 7.993 -7.807 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.020 -8.450 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.443 -9.806 1.910 1.00 0.00 H new ATOM 0 HG SER A 41 7.147 -10.939 3.621 1.00 0.00 H new ATOM 667 N ALA A 42 9.034 -8.219 4.662 1.00 0.00 N ATOM 668 CA ALA A 42 9.553 -7.342 5.778 1.00 0.00 C ATOM 669 C ALA A 42 10.760 -6.552 5.277 1.00 0.00 C ATOM 670 O ALA A 42 10.830 -5.353 5.449 1.00 0.00 O ATOM 671 CB ALA A 42 10.023 -8.265 6.864 1.00 0.00 C ATOM 0 H ALA A 42 9.038 -9.222 4.848 1.00 0.00 H new ATOM 0 HA ALA A 42 8.782 -6.654 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.409 -7.679 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.189 -8.878 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.812 -8.910 6.477 1.00 0.00 H new ATOM 677 N ASN A 43 11.690 -7.232 4.617 1.00 0.00 N ATOM 678 CA ASN A 43 12.888 -6.549 4.036 1.00 0.00 C ATOM 679 C ASN A 43 12.428 -5.460 3.083 1.00 0.00 C ATOM 680 O ASN A 43 13.024 -4.422 3.023 1.00 0.00 O ATOM 681 CB ASN A 43 13.627 -7.603 3.222 1.00 0.00 C ATOM 682 CG ASN A 43 14.756 -8.218 4.053 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.693 -9.374 4.417 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.795 -7.491 4.371 1.00 0.00 N ATOM 0 H ASN A 43 11.659 -8.240 4.461 1.00 0.00 H new ATOM 0 HA ASN A 43 13.512 -6.114 4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.933 -8.382 2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.035 -7.154 2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.551 -7.896 4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.850 -6.519 4.066 1.00 0.00 H new ATOM 691 N LEU A 44 11.360 -5.711 2.349 1.00 0.00 N ATOM 692 CA LEU A 44 10.812 -4.705 1.391 1.00 0.00 C ATOM 693 C LEU A 44 10.320 -3.505 2.129 1.00 0.00 C ATOM 694 O LEU A 44 10.589 -2.392 1.729 1.00 0.00 O ATOM 695 CB LEU A 44 9.684 -5.386 0.655 1.00 0.00 C ATOM 696 CG LEU A 44 10.308 -6.291 -0.374 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.214 -7.119 -1.020 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.045 -5.413 -1.387 1.00 0.00 C ATOM 0 H LEU A 44 10.842 -6.589 2.380 1.00 0.00 H new ATOM 0 HA LEU A 44 11.576 -4.360 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.064 -5.958 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.036 -4.651 0.178 1.00 0.00 H new ATOM 0 HG LEU A 44 11.026 -6.981 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.652 -7.780 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.711 -7.715 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.491 -6.458 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.508 -6.043 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.338 -4.733 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.815 -4.836 -0.876 1.00 0.00 H new ATOM 710 N LEU A 45 9.650 -3.708 3.232 1.00 0.00 N ATOM 711 CA LEU A 45 9.236 -2.524 4.010 1.00 0.00 C ATOM 712 C LEU A 45 10.496 -1.898 4.608 1.00 0.00 C ATOM 713 O LEU A 45 10.659 -0.713 4.556 1.00 0.00 O ATOM 714 CB LEU A 45 8.285 -3.008 5.076 1.00 0.00 C ATOM 715 CG LEU A 45 8.041 -1.895 6.094 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.727 -0.563 5.372 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.879 -2.318 6.980 1.00 0.00 C ATOM 0 H LEU A 45 9.382 -4.616 3.613 1.00 0.00 H new ATOM 0 HA LEU A 45 8.734 -1.768 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.341 -3.313 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.698 -3.885 5.574 1.00 0.00 H new ATOM 0 HG LEU A 45 8.932 -1.734 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.556 0.220 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.569 -0.285 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.835 -0.684 4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.682 -1.540 7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.991 -2.470 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.130 -3.248 7.491 1.00 0.00 H new ATOM 729 N ALA A 46 11.401 -2.699 5.138 1.00 0.00 N ATOM 730 CA ALA A 46 12.680 -2.131 5.692 1.00 0.00 C ATOM 731 C ALA A 46 13.418 -1.336 4.613 1.00 0.00 C ATOM 732 O ALA A 46 13.850 -0.239 4.867 1.00 0.00 O ATOM 733 CB ALA A 46 13.543 -3.328 6.045 1.00 0.00 C ATOM 0 H ALA A 46 11.310 -3.712 5.210 1.00 0.00 H new ATOM 0 HA ALA A 46 12.477 -1.478 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.492 -2.984 6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.029 -3.941 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.728 -3.920 5.149 1.00 0.00 H new ATOM 739 N GLU A 47 13.546 -1.882 3.410 1.00 0.00 N ATOM 740 CA GLU A 47 14.234 -1.137 2.310 1.00 0.00 C ATOM 741 C GLU A 47 13.356 0.050 1.912 1.00 0.00 C ATOM 742 O GLU A 47 13.868 1.117 1.655 1.00 0.00 O ATOM 743 CB GLU A 47 14.526 -2.114 1.151 1.00 0.00 C ATOM 744 CG GLU A 47 13.288 -2.767 0.591 1.00 0.00 C ATOM 745 CD GLU A 47 13.719 -3.962 -0.278 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.947 -3.763 -1.459 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.832 -5.054 0.257 1.00 0.00 O ATOM 0 H GLU A 47 13.202 -2.808 3.154 1.00 0.00 H new ATOM 0 HA GLU A 47 15.196 -0.733 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.037 -1.576 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.209 -2.888 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.637 -3.101 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.718 -2.052 -0.003 1.00 0.00 H new ATOM 754 N ALA A 48 12.036 -0.096 1.930 1.00 0.00 N ATOM 755 CA ALA A 48 11.162 1.072 1.648 1.00 0.00 C ATOM 756 C ALA A 48 11.339 2.125 2.761 1.00 0.00 C ATOM 757 O ALA A 48 11.416 3.306 2.488 1.00 0.00 O ATOM 758 CB ALA A 48 9.762 0.494 1.677 1.00 0.00 C ATOM 0 H ALA A 48 11.547 -0.969 2.127 1.00 0.00 H new ATOM 0 HA ALA A 48 11.387 1.565 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.038 1.284 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.672 -0.280 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.567 0.062 2.658 1.00 0.00 H new ATOM 764 N LYS A 49 11.461 1.682 4.009 1.00 0.00 N ATOM 765 CA LYS A 49 11.701 2.618 5.158 1.00 0.00 C ATOM 766 C LYS A 49 13.098 3.213 4.997 1.00 0.00 C ATOM 767 O LYS A 49 13.322 4.396 5.170 1.00 0.00 O ATOM 768 CB LYS A 49 11.639 1.724 6.398 1.00 0.00 C ATOM 769 CG LYS A 49 10.259 1.846 7.021 1.00 0.00 C ATOM 770 CD LYS A 49 9.866 0.490 7.564 1.00 0.00 C ATOM 771 CE LYS A 49 8.493 0.573 8.221 1.00 0.00 C ATOM 772 NZ LYS A 49 8.714 1.142 9.587 1.00 0.00 N ATOM 0 H LYS A 49 11.402 0.698 4.272 1.00 0.00 H new ATOM 0 HA LYS A 49 10.985 3.438 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.840 0.688 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.404 2.020 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.266 2.588 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.535 2.183 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.849 -0.243 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.606 0.150 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.822 1.206 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.030 -0.412 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.370 0.471 10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.730 1.312 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.196 2.040 9.677 1.00 0.00 H new ATOM 786 N LYS A 50 14.015 2.359 4.594 1.00 0.00 N ATOM 787 CA LYS A 50 15.426 2.749 4.312 1.00 0.00 C ATOM 788 C LYS A 50 15.417 3.812 3.200 1.00 0.00 C ATOM 789 O LYS A 50 16.159 4.776 3.248 1.00 0.00 O ATOM 790 CB LYS A 50 16.059 1.413 3.860 1.00 0.00 C ATOM 791 CG LYS A 50 17.305 1.595 2.986 1.00 0.00 C ATOM 792 CD LYS A 50 17.422 0.380 2.044 1.00 0.00 C ATOM 793 CE LYS A 50 17.850 -0.870 2.839 1.00 0.00 C ATOM 794 NZ LYS A 50 19.346 -0.845 2.862 1.00 0.00 N ATOM 0 H LYS A 50 13.827 1.368 4.445 1.00 0.00 H new ATOM 0 HA LYS A 50 15.974 3.188 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.324 0.829 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.317 0.837 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.232 2.517 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.196 1.679 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.466 0.198 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.149 0.588 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.443 -0.849 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.481 -1.780 2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.699 -1.670 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.709 -0.875 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.672 0.027 3.326 1.00 0.00 H new ATOM 808 N LEU A 51 14.542 3.643 2.224 1.00 0.00 N ATOM 809 CA LEU A 51 14.414 4.637 1.114 1.00 0.00 C ATOM 810 C LEU A 51 13.733 5.905 1.623 1.00 0.00 C ATOM 811 O LEU A 51 14.078 6.996 1.230 1.00 0.00 O ATOM 812 CB LEU A 51 13.513 3.957 0.073 1.00 0.00 C ATOM 813 CG LEU A 51 14.327 3.316 -1.054 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.656 2.748 -0.547 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.509 2.178 -1.639 1.00 0.00 C ATOM 0 H LEU A 51 13.908 2.847 2.156 1.00 0.00 H new ATOM 0 HA LEU A 51 15.384 4.921 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.906 3.195 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.826 4.691 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 51 14.548 4.081 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.202 2.303 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.251 3.550 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.462 1.987 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.069 1.705 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.301 1.443 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.570 2.569 -2.030 1.00 0.00 H new ATOM 827 N ASN A 52 12.757 5.751 2.492 1.00 0.00 N ATOM 828 CA ASN A 52 12.018 6.922 3.049 1.00 0.00 C ATOM 829 C ASN A 52 12.982 7.888 3.754 1.00 0.00 C ATOM 830 O ASN A 52 12.864 9.085 3.608 1.00 0.00 O ATOM 831 CB ASN A 52 11.017 6.326 4.043 1.00 0.00 C ATOM 832 CG ASN A 52 10.014 7.396 4.468 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.078 7.680 3.754 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.181 8.010 5.604 1.00 0.00 N ATOM 0 H ASN A 52 12.441 4.846 2.841 1.00 0.00 H new ATOM 0 HA ASN A 52 11.521 7.500 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.495 5.485 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.543 5.940 4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.522 8.733 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.970 7.768 6.203 1.00 0.00 H new ATOM 841 N ASP A 53 13.933 7.368 4.505 1.00 0.00 N ATOM 842 CA ASP A 53 14.919 8.255 5.219 1.00 0.00 C ATOM 843 C ASP A 53 16.077 8.660 4.287 1.00 0.00 C ATOM 844 O ASP A 53 16.527 9.793 4.322 1.00 0.00 O ATOM 845 CB ASP A 53 15.449 7.433 6.401 1.00 0.00 C ATOM 846 CG ASP A 53 14.300 7.028 7.342 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.609 7.910 7.829 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.136 5.839 7.563 1.00 0.00 O ATOM 0 H ASP A 53 14.069 6.368 4.654 1.00 0.00 H new ATOM 0 HA ASP A 53 14.445 9.179 5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.955 6.541 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.189 8.014 6.952 1.00 0.00 H new ATOM 853 N ALA A 54 16.563 7.746 3.462 1.00 0.00 N ATOM 854 CA ALA A 54 17.695 8.077 2.523 1.00 0.00 C ATOM 855 C ALA A 54 17.225 9.089 1.465 1.00 0.00 C ATOM 856 O ALA A 54 17.849 10.118 1.267 1.00 0.00 O ATOM 857 CB ALA A 54 18.089 6.748 1.869 1.00 0.00 C ATOM 0 H ALA A 54 16.223 6.786 3.401 1.00 0.00 H new ATOM 0 HA ALA A 54 18.540 8.530 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.910 6.915 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.404 6.043 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.233 6.339 1.331 1.00 0.00 H new ATOM 863 N GLN A 55 16.111 8.811 0.815 1.00 0.00 N ATOM 864 CA GLN A 55 15.550 9.758 -0.212 1.00 0.00 C ATOM 865 C GLN A 55 14.974 11.019 0.469 1.00 0.00 C ATOM 866 O GLN A 55 14.835 12.049 -0.167 1.00 0.00 O ATOM 867 CB GLN A 55 14.426 9.004 -0.932 1.00 0.00 C ATOM 868 CG GLN A 55 14.991 7.777 -1.668 1.00 0.00 C ATOM 869 CD GLN A 55 13.861 7.075 -2.420 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.955 6.852 -3.610 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.781 6.722 -1.772 1.00 0.00 N ATOM 0 H GLN A 55 15.563 7.962 0.954 1.00 0.00 H new ATOM 0 HA GLN A 55 16.327 10.081 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.671 8.689 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.932 9.667 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.771 8.084 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.451 7.091 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.702 6.909 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.018 6.259 -2.266 1.00 0.00 H new ATOM 880 N ALA A 56 14.620 10.933 1.751 1.00 0.00 N ATOM 881 CA ALA A 56 14.030 12.112 2.480 1.00 0.00 C ATOM 882 C ALA A 56 14.923 13.351 2.402 1.00 0.00 C ATOM 883 O ALA A 56 16.138 13.245 2.338 1.00 0.00 O ATOM 884 CB ALA A 56 13.897 11.706 3.948 1.00 0.00 C ATOM 0 H ALA A 56 14.719 10.090 2.317 1.00 0.00 H new ATOM 0 HA ALA A 56 13.074 12.368 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.472 12.533 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.244 10.837 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.880 11.458 4.348 1.00 0.00 H new ATOM 1014 N ASN B 6 0.298 -5.627 -9.221 1.00 0.00 N ATOM 1015 CA ASN B 6 1.127 -4.728 -8.346 1.00 0.00 C ATOM 1016 C ASN B 6 0.946 -3.273 -8.782 1.00 0.00 C ATOM 1017 O ASN B 6 0.837 -2.382 -7.958 1.00 0.00 O ATOM 1018 CB ASN B 6 2.598 -5.170 -8.511 1.00 0.00 C ATOM 1019 CG ASN B 6 2.729 -6.708 -8.580 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.081 -7.421 -7.846 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.541 -7.250 -9.447 1.00 0.00 N ATOM 0 HA ASN B 6 0.824 -4.800 -7.301 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.011 -4.729 -9.418 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.187 -4.792 -7.676 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.625 -8.265 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.091 -6.658 -10.070 1.00 0.00 H new ATOM 1028 N LYS B 7 0.873 -3.042 -10.079 1.00 0.00 N ATOM 1029 CA LYS B 7 0.645 -1.653 -10.617 1.00 0.00 C ATOM 1030 C LYS B 7 -0.686 -1.106 -10.084 1.00 0.00 C ATOM 1031 O LYS B 7 -0.829 0.078 -9.833 1.00 0.00 O ATOM 1032 CB LYS B 7 0.584 -1.799 -12.142 1.00 0.00 C ATOM 1033 CG LYS B 7 0.571 -0.410 -12.798 1.00 0.00 C ATOM 1034 CD LYS B 7 1.957 0.239 -12.673 1.00 0.00 C ATOM 1035 CE LYS B 7 1.881 1.712 -13.105 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.725 2.463 -12.125 1.00 0.00 N ATOM 0 H LYS B 7 0.963 -3.764 -10.794 1.00 0.00 H new ATOM 0 HA LYS B 7 1.433 -0.964 -10.314 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.442 -2.371 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.309 -2.355 -12.428 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.294 -0.497 -13.849 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -0.180 0.220 -12.321 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.310 0.170 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.676 -0.295 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.252 1.842 -14.122 1.00 0.00 H new ATOM 0 HE3 LYS B 7 0.852 2.072 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.771 3.464 -12.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.307 2.385 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.685 2.062 -12.115 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.645 -1.980 -9.895 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.972 -1.564 -9.348 1.00 0.00 C ATOM 1052 C GLU B 8 -2.826 -1.081 -7.914 1.00 0.00 C ATOM 1053 O GLU B 8 -3.455 -0.128 -7.534 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.854 -2.814 -9.403 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.787 -2.755 -10.620 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.748 -3.970 -10.662 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -5.802 -4.737 -9.702 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -6.419 -4.116 -11.668 1.00 0.00 O ATOM 0 H GLU B 8 -1.562 -2.976 -10.100 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.403 -0.743 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.230 -3.706 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.442 -2.893 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.367 -1.833 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.193 -2.729 -11.534 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.969 -1.695 -7.133 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.765 -1.216 -5.725 1.00 0.00 C ATOM 1067 C LEU B 9 -0.923 0.059 -5.738 1.00 0.00 C ATOM 1068 O LEU B 9 -0.958 0.841 -4.812 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.027 -2.291 -4.937 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.551 -3.700 -5.232 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.483 -4.722 -4.789 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.870 -3.892 -4.452 1.00 0.00 C ATOM 0 H LEU B 9 -1.405 -2.501 -7.405 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.731 -1.012 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.036 -2.245 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.125 -2.087 -3.871 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.745 -3.844 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.840 -5.732 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.440 -4.546 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.294 -4.611 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.265 -4.889 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.682 -3.777 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.596 -3.146 -4.775 1.00 0.00 H new ATOM 1084 N SER B 10 -0.186 0.283 -6.805 1.00 0.00 N ATOM 1085 CA SER B 10 0.619 1.518 -6.920 1.00 0.00 C ATOM 1086 C SER B 10 -0.370 2.701 -6.992 1.00 0.00 C ATOM 1087 O SER B 10 -0.272 3.655 -6.237 1.00 0.00 O ATOM 1088 CB SER B 10 1.417 1.336 -8.231 1.00 0.00 C ATOM 1089 OG SER B 10 1.385 2.525 -9.020 1.00 0.00 O ATOM 0 H SER B 10 -0.116 -0.351 -7.601 1.00 0.00 H new ATOM 0 HA SER B 10 1.299 1.708 -6.089 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.450 1.077 -7.999 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.001 0.506 -8.802 1.00 0.00 H new ATOM 0 HG SER B 10 0.852 2.368 -9.827 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.351 2.601 -7.883 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.378 3.690 -8.035 1.00 0.00 C ATOM 1097 C VAL B 11 -3.483 3.540 -6.976 1.00 0.00 C ATOM 1098 O VAL B 11 -3.755 4.461 -6.226 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.957 3.515 -9.458 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.813 4.734 -9.818 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.821 3.368 -10.487 1.00 0.00 C ATOM 0 H VAL B 11 -1.478 1.806 -8.510 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.943 4.680 -7.897 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.570 2.614 -9.477 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.220 4.609 -10.821 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.631 4.828 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.198 5.633 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.246 3.246 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.194 4.260 -10.467 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.217 2.495 -10.240 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.113 2.379 -6.913 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.207 2.140 -5.910 1.00 0.00 C ATOM 1113 C ALA B 12 -4.673 2.238 -4.487 1.00 0.00 C ATOM 1114 O ALA B 12 -5.228 2.923 -3.659 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.722 0.707 -6.176 1.00 0.00 C ATOM 0 H ALA B 12 -3.912 1.584 -7.520 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.996 2.885 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.523 0.472 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.101 0.640 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.906 -0.003 -6.045 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.596 1.556 -4.221 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.992 1.544 -2.865 1.00 0.00 C ATOM 1123 C GLY B 13 -2.538 2.919 -2.431 1.00 0.00 C ATOM 1124 O GLY B 13 -2.939 3.386 -1.383 1.00 0.00 O ATOM 0 H GLY B 13 -3.097 0.991 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.718 1.160 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.142 0.862 -2.854 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.661 3.536 -3.187 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.128 4.866 -2.750 1.00 0.00 C ATOM 1130 C ARG B 14 -2.229 5.938 -2.587 1.00 0.00 C ATOM 1131 O ARG B 14 -2.137 6.767 -1.704 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.070 5.293 -3.765 1.00 0.00 C ATOM 1133 CG ARG B 14 0.810 6.403 -3.158 1.00 0.00 C ATOM 1134 CD ARG B 14 1.318 5.992 -1.763 1.00 0.00 C ATOM 1135 NE ARG B 14 2.687 6.572 -1.625 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.853 7.831 -1.303 1.00 0.00 C ATOM 1137 NH1 ARG B 14 2.982 8.733 -2.245 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.899 8.179 -0.040 1.00 0.00 N ATOM 0 H ARG B 14 -1.296 3.184 -4.072 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.690 4.766 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.546 4.438 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.549 5.652 -4.676 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.657 6.603 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.238 7.328 -3.085 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.656 6.368 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.344 4.907 -1.663 1.00 0.00 H new ATOM 0 HE ARG B 14 3.503 5.981 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.953 8.454 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.111 9.714 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.806 7.471 0.688 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.028 9.158 0.215 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.264 5.937 -3.400 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.349 6.973 -3.221 1.00 0.00 C ATOM 1154 C GLU B 15 -5.193 6.658 -1.960 1.00 0.00 C ATOM 1155 O GLU B 15 -5.473 7.538 -1.169 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.196 6.917 -4.494 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.387 7.475 -5.677 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.278 7.591 -6.915 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.010 8.561 -7.009 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.212 6.707 -7.750 1.00 0.00 O ATOM 0 H GLU B 15 -3.407 5.279 -4.166 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.939 7.972 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.496 5.889 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.110 7.495 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.979 8.453 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.540 6.822 -5.889 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.553 5.394 -1.763 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.343 4.948 -0.541 1.00 0.00 C ATOM 1169 C ILE B 16 -5.553 5.223 0.753 1.00 0.00 C ATOM 1170 O ILE B 16 -6.105 5.562 1.785 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.491 3.419 -0.719 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.447 3.129 -1.880 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.035 2.754 0.561 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.318 1.671 -2.316 1.00 0.00 C ATOM 0 H ILE B 16 -5.328 4.638 -2.410 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.295 5.474 -0.461 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.504 3.007 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.473 3.336 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.223 3.788 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.127 1.680 0.402 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.350 2.941 1.388 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -8.014 3.171 0.800 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.002 1.476 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.295 1.477 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.564 1.018 -1.479 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.268 5.026 0.682 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.372 5.209 1.860 1.00 0.00 C ATOM 1188 C VAL B 17 -3.059 6.697 2.141 1.00 0.00 C ATOM 1189 O VAL B 17 -2.679 7.033 3.250 1.00 0.00 O ATOM 1190 CB VAL B 17 -2.123 4.400 1.458 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.242 5.160 0.494 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.317 3.994 2.661 1.00 0.00 C ATOM 0 H VAL B 17 -3.786 4.737 -0.169 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.816 4.870 2.796 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.488 3.503 0.958 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.374 4.552 0.238 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.805 5.388 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.910 6.089 0.959 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.444 3.426 2.339 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.992 4.885 3.199 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.930 3.377 3.318 1.00 0.00 H new ATOM 1202 N THR B 18 -3.173 7.582 1.153 1.00 0.00 N ATOM 1203 CA THR B 18 -2.827 9.028 1.404 1.00 0.00 C ATOM 1204 C THR B 18 -3.994 10.010 1.218 1.00 0.00 C ATOM 1205 O THR B 18 -3.744 11.209 1.251 1.00 0.00 O ATOM 1206 CB THR B 18 -1.706 9.384 0.404 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.200 9.316 -0.930 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.535 8.423 0.566 1.00 0.00 C ATOM 0 H THR B 18 -3.484 7.365 0.206 1.00 0.00 H new ATOM 0 HA THR B 18 -2.533 9.128 2.449 1.00 0.00 H new ATOM 0 HB THR B 18 -1.366 10.399 0.608 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.411 8.386 -1.154 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.250 8.683 -0.144 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.144 8.494 1.581 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.872 7.404 0.377 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.249 9.590 1.035 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.310 10.659 0.874 1.00 0.00 C ATOM 1218 C LEU B 19 -6.418 11.485 2.188 1.00 0.00 C ATOM 1219 O LEU B 19 -6.175 10.972 3.268 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.623 10.009 0.426 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.073 8.890 1.349 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.542 9.106 1.637 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.894 7.546 0.647 1.00 0.00 C ATOM 0 H LEU B 19 -5.564 8.621 0.993 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.042 11.370 0.093 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.402 10.770 0.379 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.502 9.615 -0.583 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.488 8.891 2.269 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.902 8.319 2.299 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.680 10.075 2.116 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.104 9.080 0.703 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.217 6.743 1.310 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.493 7.528 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.843 7.406 0.392 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.653 12.779 2.015 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.633 13.759 3.152 1.00 0.00 C ATOM 1237 C PRO B 20 -7.762 13.613 4.187 1.00 0.00 C ATOM 1238 O PRO B 20 -7.544 13.893 5.354 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.734 15.113 2.452 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.399 14.828 1.144 1.00 0.00 C ATOM 1241 CD PRO B 20 -6.992 13.440 0.743 1.00 0.00 C ATOM 0 HA PRO B 20 -5.735 13.606 3.751 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.315 15.820 3.044 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.749 15.555 2.305 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.483 14.901 1.237 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.094 15.553 0.389 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -7.801 12.921 0.228 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.140 13.456 0.063 1.00 0.00 H new ATOM 1249 N ASN B 21 -8.956 13.233 3.793 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.075 13.145 4.802 1.00 0.00 C ATOM 1251 C ASN B 21 -10.231 11.737 5.413 1.00 0.00 C ATOM 1252 O ASN B 21 -11.183 11.496 6.139 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.350 13.544 4.054 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.284 14.988 3.530 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.414 15.758 3.893 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.193 15.393 2.689 1.00 0.00 N ATOM 0 H ASN B 21 -9.207 12.983 2.836 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.862 13.803 5.645 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.508 12.862 3.218 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.208 13.438 4.718 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.173 16.351 2.338 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -12.925 14.752 2.381 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.325 10.813 5.147 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.456 9.440 5.740 1.00 0.00 C ATOM 1265 C LEU B 22 -8.619 9.316 7.011 1.00 0.00 C ATOM 1266 O LEU B 22 -7.629 10.009 7.197 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.901 8.469 4.708 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.535 7.080 4.859 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.883 7.029 4.128 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.585 6.032 4.266 1.00 0.00 C ATOM 0 H LEU B 22 -8.510 10.952 4.550 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.497 9.237 5.991 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.091 8.852 3.705 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.820 8.393 4.821 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.704 6.873 5.916 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.322 6.038 4.243 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.555 7.775 4.552 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.731 7.238 3.069 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.027 5.041 4.369 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.419 6.248 3.211 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.633 6.062 4.797 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.995 8.394 7.846 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.214 8.137 9.110 1.00 0.00 C ATOM 1284 C ASN B 23 -7.316 6.888 8.925 1.00 0.00 C ATOM 1285 O ASN B 23 -7.503 6.116 7.995 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.245 7.986 10.257 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.152 6.750 10.097 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.847 5.832 9.369 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.267 6.688 10.773 1.00 0.00 N ATOM 0 H ASN B 23 -9.812 7.798 7.718 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.539 8.957 9.353 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.715 7.920 11.207 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.865 8.881 10.300 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.872 5.872 10.685 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.533 7.456 11.389 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.318 6.712 9.775 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.367 5.549 9.629 1.00 0.00 C ATOM 1298 C ASP B 24 -6.032 4.136 9.670 1.00 0.00 C ATOM 1299 O ASP B 24 -5.572 3.274 8.945 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.275 5.715 10.717 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.839 5.557 12.134 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.308 6.545 12.679 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.780 4.454 12.656 1.00 0.00 O ATOM 0 H ASP B 24 -6.122 7.326 10.565 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.940 5.582 8.627 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.489 4.977 10.556 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.814 6.698 10.619 1.00 0.00 H new ATOM 1308 N PRO B 25 -7.067 3.901 10.489 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.693 2.538 10.524 1.00 0.00 C ATOM 1310 C PRO B 25 -8.441 2.196 9.214 1.00 0.00 C ATOM 1311 O PRO B 25 -8.441 1.045 8.806 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.657 2.607 11.707 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.974 4.055 11.860 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.748 4.815 11.432 1.00 0.00 C ATOM 0 HA PRO B 25 -6.945 1.752 10.627 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.558 2.023 11.517 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.201 2.205 12.612 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.833 4.330 11.247 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.232 4.287 12.893 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.011 5.758 10.953 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.111 5.056 12.283 1.00 0.00 H new ATOM 1322 N GLN B 26 -9.070 3.162 8.546 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.795 2.844 7.267 1.00 0.00 C ATOM 1324 C GLN B 26 -8.785 2.436 6.199 1.00 0.00 C ATOM 1325 O GLN B 26 -8.882 1.353 5.666 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.552 4.114 6.881 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.757 4.266 7.821 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.294 5.701 7.799 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -11.725 6.583 7.183 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.365 5.978 8.484 1.00 0.00 N ATOM 0 H GLN B 26 -9.107 4.140 8.834 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.491 2.012 7.377 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.899 4.983 6.959 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.885 4.057 5.845 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.545 3.575 7.522 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.466 3.998 8.837 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.844 5.241 9.001 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.725 6.932 8.504 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.787 3.270 5.925 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.728 2.892 4.914 1.00 0.00 C ATOM 1341 C LYS B 27 -6.065 1.575 5.299 1.00 0.00 C ATOM 1342 O LYS B 27 -5.681 0.814 4.445 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.654 3.992 4.866 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.266 4.540 6.250 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.528 5.868 6.063 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.531 7.007 5.811 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.745 8.109 5.182 1.00 0.00 N ATOM 0 H LYS B 27 -7.664 4.187 6.355 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.202 2.781 3.939 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.763 3.596 4.379 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.016 4.814 4.248 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.156 4.685 6.862 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.632 3.826 6.775 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.932 6.088 6.949 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.836 5.792 5.224 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.338 6.679 5.156 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.990 7.337 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.392 8.765 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.216 8.621 5.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.078 7.709 4.491 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.924 1.309 6.576 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.292 0.025 7.018 1.00 0.00 C ATOM 1363 C LYS B 28 -6.101 -1.166 6.489 1.00 0.00 C ATOM 1364 O LYS B 28 -5.595 -1.950 5.714 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.314 0.045 8.556 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.892 -0.060 9.067 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.457 -1.523 9.089 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.924 -1.624 9.030 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.408 -1.004 10.292 1.00 0.00 N ATOM 0 H LYS B 28 -6.220 1.926 7.332 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.275 -0.074 6.638 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.777 0.964 8.915 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.913 -0.783 8.935 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.223 0.518 8.429 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.824 0.364 10.069 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.826 -2.006 9.994 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.896 -2.053 8.244 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.607 -2.664 8.951 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.534 -1.104 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.728 -1.649 10.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.936 -0.104 10.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -2.201 -0.827 10.941 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.363 -1.276 6.873 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.230 -2.397 6.361 1.00 0.00 C ATOM 1385 C ALA B 29 -8.397 -2.270 4.834 1.00 0.00 C ATOM 1386 O ALA B 29 -8.488 -3.260 4.132 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.582 -2.232 7.067 1.00 0.00 C ATOM 0 H ALA B 29 -7.827 -0.637 7.519 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.796 -3.376 6.561 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.262 -3.018 6.739 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.440 -2.302 8.145 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -10.006 -1.259 6.819 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.418 -1.047 4.328 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.555 -0.804 2.852 1.00 0.00 C ATOM 1395 C PHE B 30 -7.350 -1.359 2.111 1.00 0.00 C ATOM 1396 O PHE B 30 -7.486 -2.189 1.233 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.573 0.721 2.689 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.916 1.178 2.231 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.197 1.186 0.872 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.867 1.604 3.160 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.452 1.621 0.431 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.116 2.041 2.723 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.410 2.049 1.361 1.00 0.00 C ATOM 0 H PHE B 30 -8.344 -0.198 4.889 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.449 -1.283 2.454 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.323 1.198 3.637 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.813 1.025 1.969 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.453 0.859 0.160 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.635 1.595 4.215 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.682 1.627 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.854 2.373 3.438 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.378 2.386 1.021 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.170 -0.908 2.473 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.939 -1.408 1.818 1.00 0.00 C ATOM 1415 C ILE B 31 -4.839 -2.925 2.076 1.00 0.00 C ATOM 1416 O ILE B 31 -4.465 -3.680 1.198 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.746 -0.680 2.493 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.594 0.786 1.984 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.436 -1.461 2.238 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.126 1.165 1.940 1.00 0.00 C ATOM 0 H ILE B 31 -6.017 -0.210 3.201 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.942 -1.226 0.743 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.949 -0.641 3.563 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.034 0.884 0.992 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.135 1.467 2.641 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.604 -0.943 2.715 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.524 -2.465 2.653 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.255 -1.527 1.165 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.025 2.190 1.584 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.699 1.085 2.940 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.597 0.493 1.265 1.00 0.00 H new ATOM 1432 N PHE B 32 -5.161 -3.360 3.294 1.00 0.00 N ATOM 1433 CA PHE B 32 -5.077 -4.813 3.619 1.00 0.00 C ATOM 1434 C PHE B 32 -6.029 -5.628 2.706 1.00 0.00 C ATOM 1435 O PHE B 32 -5.647 -6.681 2.216 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.331 -4.963 5.153 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.994 -4.822 5.936 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.137 -3.690 5.742 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.568 -5.837 6.859 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.932 -3.594 6.433 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -2.346 -5.708 7.527 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.539 -4.597 7.317 1.00 0.00 C ATOM 0 H PHE B 32 -5.474 -2.763 4.060 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.092 -5.230 3.412 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -6.038 -4.204 5.488 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.782 -5.933 5.361 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.427 -2.908 5.056 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -4.192 -6.700 7.037 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.296 -2.734 6.282 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -2.027 -6.479 8.212 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.600 -4.510 7.843 1.00 0.00 H new ATOM 1452 N SER B 33 -7.216 -5.122 2.384 1.00 0.00 N ATOM 1453 CA SER B 33 -8.105 -5.872 1.416 1.00 0.00 C ATOM 1454 C SER B 33 -7.598 -5.665 -0.043 1.00 0.00 C ATOM 1455 O SER B 33 -7.748 -6.535 -0.883 1.00 0.00 O ATOM 1456 CB SER B 33 -9.521 -5.309 1.612 1.00 0.00 C ATOM 1457 OG SER B 33 -9.574 -3.957 1.182 1.00 0.00 O ATOM 0 H SER B 33 -7.597 -4.245 2.741 1.00 0.00 H new ATOM 0 HA SER B 33 -8.095 -6.947 1.598 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.239 -5.906 1.049 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.805 -5.376 2.662 1.00 0.00 H new ATOM 0 HG SER B 33 -8.688 -3.549 1.275 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.984 -4.519 -0.324 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.421 -4.209 -1.699 1.00 0.00 C ATOM 1465 C LEU B 34 -5.243 -5.146 -2.031 1.00 0.00 C ATOM 1466 O LEU B 34 -5.143 -5.652 -3.134 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.982 -2.727 -1.573 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.996 -2.285 -2.648 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.750 -1.907 -3.932 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.238 -1.058 -2.131 1.00 0.00 C ATOM 0 H LEU B 34 -6.848 -3.772 0.357 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.133 -4.360 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.866 -2.091 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.530 -2.574 -0.593 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.305 -3.098 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.037 -1.593 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.309 -2.770 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.440 -1.090 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.526 -0.725 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.945 -0.256 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.703 -1.319 -1.218 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.368 -5.381 -1.083 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.192 -6.289 -1.304 1.00 0.00 C ATOM 1484 C TRP B 35 -3.635 -7.754 -1.451 1.00 0.00 C ATOM 1485 O TRP B 35 -3.230 -8.434 -2.376 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.389 -6.150 -0.038 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.155 -6.970 -0.110 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.919 -8.110 0.577 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.012 -6.722 -0.910 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.335 -8.571 0.243 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.950 -7.741 -0.672 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.336 -5.710 -1.813 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.179 -7.744 -1.313 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.566 -5.707 -2.455 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.484 -6.717 -2.207 1.00 0.00 C ATOM 0 H TRP B 35 -4.418 -4.976 -0.148 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.646 -6.029 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.128 -5.104 0.121 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.990 -6.462 0.816 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.600 -8.580 1.271 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.756 -9.419 0.624 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.376 -4.923 -2.014 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.892 -8.532 -1.123 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.809 -4.916 -3.149 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.440 -6.708 -2.709 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.454 -8.238 -0.528 1.00 0.00 N ATOM 1507 CA ASP B 36 -4.919 -9.664 -0.589 1.00 0.00 C ATOM 1508 C ASP B 36 -5.800 -9.871 -1.821 1.00 0.00 C ATOM 1509 O ASP B 36 -5.712 -10.893 -2.480 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.714 -9.912 0.712 1.00 0.00 C ATOM 1511 CG ASP B 36 -4.795 -9.837 1.954 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -3.628 -10.201 1.858 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.286 -9.428 2.994 1.00 0.00 O ATOM 0 H ASP B 36 -4.816 -7.702 0.261 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.086 -10.362 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.510 -9.173 0.801 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.191 -10.891 0.668 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.632 -8.899 -2.141 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.502 -9.022 -3.333 1.00 0.00 C ATOM 1520 C ASP B 37 -7.530 -7.695 -4.118 1.00 0.00 C ATOM 1521 O ASP B 37 -8.456 -6.911 -3.965 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.895 -9.385 -2.785 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.941 -10.873 -2.427 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.160 -11.673 -3.322 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.759 -11.187 -1.261 1.00 0.00 O ATOM 0 H ASP B 37 -6.736 -8.029 -1.618 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.144 -9.779 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.117 -8.783 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.659 -9.157 -3.528 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.518 -7.483 -4.958 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.466 -6.246 -5.787 1.00 0.00 C ATOM 1532 C PRO B 38 -7.580 -6.216 -6.847 1.00 0.00 C ATOM 1533 O PRO B 38 -7.756 -5.211 -7.495 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.098 -6.269 -6.425 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.715 -7.715 -6.436 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.346 -8.339 -5.217 1.00 0.00 C ATOM 0 HA PRO B 38 -6.625 -5.351 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.123 -5.857 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.384 -5.674 -5.856 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -5.066 -8.202 -7.346 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.631 -7.829 -6.412 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.637 -9.373 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.660 -8.347 -4.370 1.00 0.00 H new ATOM 1544 N SER B 39 -8.380 -7.266 -6.992 1.00 0.00 N ATOM 1545 CA SER B 39 -9.533 -7.192 -7.956 1.00 0.00 C ATOM 1546 C SER B 39 -10.411 -6.006 -7.493 1.00 0.00 C ATOM 1547 O SER B 39 -10.897 -5.222 -8.288 1.00 0.00 O ATOM 1548 CB SER B 39 -10.279 -8.520 -7.807 1.00 0.00 C ATOM 1549 OG SER B 39 -10.870 -8.871 -9.051 1.00 0.00 O ATOM 0 H SER B 39 -8.282 -8.150 -6.493 1.00 0.00 H new ATOM 0 HA SER B 39 -9.243 -7.042 -8.996 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.591 -9.302 -7.485 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.047 -8.434 -7.038 1.00 0.00 H new ATOM 0 HG SER B 39 -11.347 -9.722 -8.958 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.529 -5.860 -6.177 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.277 -4.713 -5.556 1.00 0.00 C ATOM 1557 C GLN B 40 -10.525 -3.385 -5.755 1.00 0.00 C ATOM 1558 O GLN B 40 -11.137 -2.363 -5.683 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.313 -4.999 -4.052 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.145 -6.237 -3.742 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.005 -6.575 -2.256 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.978 -6.604 -1.530 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -10.820 -6.830 -1.767 1.00 0.00 N ATOM 0 H GLN B 40 -10.126 -6.508 -5.500 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.265 -4.624 -6.007 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.297 -5.139 -3.682 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -11.728 -4.139 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -13.191 -6.059 -3.990 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.811 -7.077 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.001 -6.806 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -10.714 -7.053 -0.777 1.00 0.00 H new ATOM 1572 N SER B 41 -9.202 -3.409 -5.925 1.00 0.00 N ATOM 1573 CA SER B 41 -8.363 -2.145 -6.053 1.00 0.00 C ATOM 1574 C SER B 41 -9.088 -0.970 -6.741 1.00 0.00 C ATOM 1575 O SER B 41 -9.070 0.134 -6.227 1.00 0.00 O ATOM 1576 CB SER B 41 -7.124 -2.530 -6.849 1.00 0.00 C ATOM 1577 OG SER B 41 -7.434 -2.684 -8.232 1.00 0.00 O ATOM 0 H SER B 41 -8.660 -4.271 -5.981 1.00 0.00 H new ATOM 0 HA SER B 41 -8.129 -1.782 -5.052 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.357 -1.765 -6.727 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.711 -3.460 -6.459 1.00 0.00 H new ATOM 0 HG SER B 41 -7.661 -3.620 -8.414 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.732 -1.199 -7.879 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.471 -0.084 -8.568 1.00 0.00 C ATOM 1585 C ALA B 42 -11.585 0.419 -7.636 1.00 0.00 C ATOM 1586 O ALA B 42 -11.708 1.610 -7.395 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.061 -0.698 -9.845 1.00 0.00 C ATOM 0 H ALA B 42 -9.774 -2.102 -8.351 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.828 0.762 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.613 0.065 -10.394 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.255 -1.083 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.734 -1.513 -9.579 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.353 -0.496 -7.070 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.419 -0.118 -6.103 1.00 0.00 C ATOM 1595 C ASN B 43 -12.799 0.399 -4.786 1.00 0.00 C ATOM 1596 O ASN B 43 -13.335 1.294 -4.185 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.236 -1.396 -5.852 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.444 -1.075 -4.961 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.467 -1.435 -3.802 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.455 -0.406 -5.451 1.00 0.00 N ATOM 0 H ASN B 43 -12.276 -1.498 -7.247 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.045 0.684 -6.494 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.573 -1.815 -6.800 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.611 -2.150 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.258 -0.189 -4.860 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.441 -0.101 -6.424 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.673 -0.155 -4.342 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.031 0.314 -3.065 1.00 0.00 C ATOM 1609 C LEU B 44 -10.595 1.763 -3.200 1.00 0.00 C ATOM 1610 O LEU B 44 -10.940 2.602 -2.399 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.827 -0.606 -2.863 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.279 -1.856 -2.123 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.324 -3.006 -2.426 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -10.279 -1.550 -0.626 1.00 0.00 C ATOM 0 H LEU B 44 -11.179 -0.911 -4.816 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.714 0.272 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.392 -0.875 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.051 -0.092 -2.295 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.280 -2.146 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.651 -3.900 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.320 -3.203 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.318 -2.739 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.600 -2.433 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.273 -1.272 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.964 -0.726 -0.423 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.868 2.046 -4.240 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.413 3.442 -4.524 1.00 0.00 C ATOM 1628 C LEU B 45 -10.627 4.385 -4.559 1.00 0.00 C ATOM 1629 O LEU B 45 -10.613 5.449 -3.966 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.743 3.355 -5.907 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.437 4.752 -6.455 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.806 5.614 -5.361 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.477 4.628 -7.636 1.00 0.00 C ATOM 0 H LEU B 45 -9.560 1.355 -4.924 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.732 3.832 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.821 2.779 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.396 2.824 -6.599 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.362 5.224 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.591 6.606 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.497 5.701 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.880 5.151 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.255 5.620 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.553 4.154 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.937 4.022 -8.416 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.674 3.968 -5.230 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.919 4.791 -5.311 1.00 0.00 C ATOM 1647 C ALA B 46 -13.559 4.919 -3.920 1.00 0.00 C ATOM 1648 O ALA B 46 -13.911 6.001 -3.485 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.838 3.977 -6.210 1.00 0.00 C ATOM 0 H ALA B 46 -11.718 3.081 -5.731 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.731 5.799 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.786 4.501 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.369 3.844 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.019 3.002 -5.758 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.689 3.803 -3.230 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.282 3.773 -1.858 1.00 0.00 C ATOM 1657 C GLU B 47 -13.457 4.629 -0.893 1.00 0.00 C ATOM 1658 O GLU B 47 -14.003 5.279 -0.030 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.239 2.293 -1.444 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.392 1.509 -2.111 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.751 2.168 -1.814 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -17.084 2.322 -0.648 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.439 2.500 -2.765 1.00 0.00 O ATOM 0 H GLU B 47 -13.398 2.889 -3.577 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.295 4.176 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.282 1.857 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -14.315 2.210 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -15.232 1.466 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.395 0.481 -1.748 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.151 4.649 -1.063 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.262 5.485 -0.191 1.00 0.00 C ATOM 1672 C ALA B 48 -11.605 6.967 -0.412 1.00 0.00 C ATOM 1673 O ALA B 48 -11.821 7.702 0.533 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.824 5.162 -0.651 1.00 0.00 C ATOM 0 H ALA B 48 -11.660 4.114 -1.779 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.382 5.280 0.873 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.114 5.738 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.630 4.098 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.712 5.422 -1.704 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.703 7.388 -1.666 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.078 8.814 -1.986 1.00 0.00 C ATOM 1682 C LYS B 49 -13.504 9.111 -1.484 1.00 0.00 C ATOM 1683 O LYS B 49 -13.746 10.133 -0.879 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.026 8.929 -3.521 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.590 8.729 -4.026 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.565 8.877 -5.552 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.200 8.431 -6.095 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.947 9.277 -7.299 1.00 0.00 N ATOM 0 H LYS B 49 -11.538 6.799 -2.482 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.404 9.524 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.683 8.184 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.394 9.907 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.925 9.461 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.225 7.743 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.358 8.277 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.756 9.914 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.418 8.569 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.209 7.373 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.956 9.170 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.575 8.977 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.134 10.274 -7.068 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.444 8.211 -1.729 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.864 8.419 -1.260 1.00 0.00 C ATOM 1704 C LYS B 50 -15.937 8.438 0.278 1.00 0.00 C ATOM 1705 O LYS B 50 -16.647 9.241 0.858 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.660 7.220 -1.800 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.806 7.321 -3.326 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.435 6.032 -3.870 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.941 5.997 -3.550 1.00 0.00 C ATOM 1710 NZ LYS B 50 -19.107 4.960 -2.485 1.00 0.00 N ATOM 0 H LYS B 50 -14.286 7.340 -2.235 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.259 9.371 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.154 6.291 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.645 7.190 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.427 8.178 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.831 7.483 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.284 5.972 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.942 5.165 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.290 6.970 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.523 5.744 -4.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -20.112 4.705 -2.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.555 4.115 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.770 5.338 -1.577 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.203 7.553 0.930 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.205 7.485 2.434 1.00 0.00 C ATOM 1726 C LEU B 51 -14.630 8.781 3.035 1.00 0.00 C ATOM 1727 O LEU B 51 -15.145 9.279 4.021 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.329 6.259 2.776 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.554 5.807 4.232 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.770 4.521 4.492 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -14.103 6.884 5.223 1.00 0.00 C ATOM 0 H LEU B 51 -14.597 6.869 0.477 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.209 7.386 2.847 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.564 5.439 2.097 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.278 6.506 2.627 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.621 5.633 4.375 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -13.928 4.200 5.522 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.114 3.741 3.812 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.708 4.703 4.328 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -14.274 6.536 6.242 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -13.041 7.086 5.082 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.672 7.798 5.051 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.581 9.338 2.444 1.00 0.00 N ATOM 1744 CA ASN B 52 -12.983 10.612 2.976 1.00 0.00 C ATOM 1745 C ASN B 52 -14.072 11.710 3.098 1.00 0.00 C ATOM 1746 O ASN B 52 -14.031 12.527 3.994 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.848 10.962 1.965 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.140 12.161 1.031 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.211 12.318 0.495 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.186 13.002 0.778 1.00 0.00 N ATOM 0 H ASN B 52 -13.118 8.961 1.617 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.577 10.519 3.983 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -10.937 11.173 2.525 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.648 10.084 1.350 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.347 13.778 0.137 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.274 12.887 1.220 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.049 11.708 2.202 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.147 12.727 2.244 1.00 0.00 C ATOM 1759 C ASP B 53 -17.016 12.566 3.503 1.00 0.00 C ATOM 1760 O ASP B 53 -17.514 13.541 4.039 1.00 0.00 O ATOM 1761 CB ASP B 53 -16.991 12.469 0.991 1.00 0.00 C ATOM 1762 CG ASP B 53 -17.888 13.681 0.711 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.420 14.605 0.067 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.028 13.661 1.143 1.00 0.00 O ATOM 0 H ASP B 53 -15.125 11.034 1.440 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.741 13.738 2.273 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.341 12.280 0.136 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.602 11.577 1.130 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.207 11.340 3.967 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.051 11.098 5.186 1.00 0.00 C ATOM 1771 C ALA B 54 -17.440 11.775 6.429 1.00 0.00 C ATOM 1772 O ALA B 54 -18.156 12.267 7.283 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.070 9.574 5.349 1.00 0.00 C ATOM 0 H ALA B 54 -16.811 10.499 3.548 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.052 11.515 5.079 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.668 9.309 6.221 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.504 9.118 4.459 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.051 9.210 5.483 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.125 11.814 6.516 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.441 12.469 7.678 1.00 0.00 C ATOM 1781 C GLN B 55 -15.204 13.965 7.401 1.00 0.00 C ATOM 1782 O GLN B 55 -15.280 14.783 8.303 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.115 11.713 7.808 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.355 10.382 8.530 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.163 9.454 8.297 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.612 8.906 9.230 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.737 9.264 7.083 1.00 0.00 N ATOM 0 H GLN B 55 -15.493 11.414 5.822 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.033 12.426 8.592 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.689 11.532 6.821 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.394 12.314 8.361 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.492 10.555 9.597 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.269 9.916 8.162 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.202 9.726 6.301 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.938 8.653 6.913 1.00 0.00 H new ATOM 1796 N ALA B 56 -14.902 14.319 6.163 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.641 15.752 5.805 1.00 0.00 C ATOM 1798 C ALA B 56 -15.062 16.042 4.353 1.00 0.00 C ATOM 1799 O ALA B 56 -15.071 15.145 3.542 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.131 15.890 5.941 1.00 0.00 C ATOM 0 H ALA B 56 -14.826 13.666 5.383 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.199 16.445 6.435 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -12.836 16.911 5.699 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -12.835 15.660 6.965 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.639 15.198 5.257 1.00 0.00 H new