USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 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 21 ASN : amide:sc= -0.236 X(o=-7.3,f=-7.6) USER MOD Set 1.2: B 52 ASN : amide:sc= -7.07! C(o=-7.3!,f=-11!) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.1 K(o=-7.4,f=-20!) USER MOD Set 2.2: B 26 GLN : amide:sc= -2.58! C(o=-7.4!,f=-7.9!) USER MOD Set 2.3: B 55 GLN : amide:sc= -2.76! X(o=-7.4!,f=-7.9) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 156:sc= -0.579 (180deg=-0.658) USER MOD Set 3.2: B 6 ASN : amide:sc= -3.39! C(o=-4!,f=-10!) USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.562 X(o=-1.5,f=-1.1) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -0.504 F(o=-2.2,f=-1.1) USER MOD Set 5.1: A 14 TYR OH : rot -70:sc= 0.222 USER MOD Set 5.2: A 18 HIS :FLIP no HE2:sc= -22.2! C(o=-24!,f=-22!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.12! C(o=-2.1!,f=-4.1!) USER MOD Single : A 10 GLN : amide:sc= -3.12! C(o=-3.1!,f=-12!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.918 X(o=-0.92,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= 0.204 K(o=0.2,f=-11!) USER MOD Single : A 28 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 32 GLN : amide:sc= -0.616 K(o=-0.62,f=-1.8!) USER MOD Single : A 33 SER OG : rot 6:sc= 0.759 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 41 SER OG : rot -95:sc= -0.0375 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.71! C(o=-2.7!,f=-5.6!) USER MOD Single : B 7 LYS NZ :NH3+ -162:sc= -0.363 (180deg=-0.407) USER MOD Single : B 10 SER OG : rot -91:sc= 0.984! USER MOD Single : B 18 THR OG1 : rot -3:sc= -1.09 USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -110:sc= 0.387 (180deg=-0.129) USER MOD Single : B 33 SER OG : rot -49:sc= 0.0686 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.21) USER MOD Single : B 41 SER OG : rot -110:sc= -1.23 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 157:sc= 0.126 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 2.736 -14.262 6.682 1.00 0.00 N ATOM 68 CA PHE A 5 3.325 -13.451 5.566 1.00 0.00 C ATOM 69 C PHE A 5 2.279 -12.587 4.850 1.00 0.00 C ATOM 70 O PHE A 5 2.607 -11.513 4.395 1.00 0.00 O ATOM 71 CB PHE A 5 3.976 -14.446 4.598 1.00 0.00 C ATOM 72 CG PHE A 5 5.265 -14.961 5.206 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.297 -14.066 5.527 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.422 -16.328 5.458 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.482 -14.542 6.095 1.00 0.00 C ATOM 76 CE2 PHE A 5 6.607 -16.801 6.029 1.00 0.00 C ATOM 77 CZ PHE A 5 7.638 -15.910 6.345 1.00 0.00 C ATOM 0 HA PHE A 5 4.056 -12.747 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.297 -15.275 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.178 -13.963 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.176 -13.010 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.628 -17.018 5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.277 -13.854 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.727 -17.856 6.226 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.555 -16.278 6.782 1.00 0.00 H new ATOM 87 N ASN A 6 1.032 -13.028 4.749 1.00 0.00 N ATOM 88 CA ASN A 6 -0.009 -12.182 4.058 1.00 0.00 C ATOM 89 C ASN A 6 -0.106 -10.813 4.752 1.00 0.00 C ATOM 90 O ASN A 6 -0.056 -9.795 4.094 1.00 0.00 O ATOM 91 CB ASN A 6 -1.340 -12.936 4.177 1.00 0.00 C ATOM 92 CG ASN A 6 -1.304 -14.208 3.317 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.192 -15.299 3.837 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.397 -14.111 2.017 1.00 0.00 N ATOM 0 H ASN A 6 0.698 -13.922 5.110 1.00 0.00 H new ATOM 0 HA ASN A 6 0.246 -12.010 3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.527 -13.197 5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.161 -12.294 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.375 -14.952 1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.491 -13.194 1.579 1.00 0.00 H new ATOM 101 N LYS A 7 -0.192 -10.794 6.078 1.00 0.00 N ATOM 102 CA LYS A 7 -0.240 -9.494 6.839 1.00 0.00 C ATOM 103 C LYS A 7 1.139 -8.812 6.850 1.00 0.00 C ATOM 104 O LYS A 7 1.215 -7.608 6.888 1.00 0.00 O ATOM 105 CB LYS A 7 -0.714 -9.847 8.243 1.00 0.00 C ATOM 106 CG LYS A 7 -0.794 -8.610 9.121 1.00 0.00 C ATOM 107 CD LYS A 7 -2.101 -7.924 8.796 1.00 0.00 C ATOM 108 CE LYS A 7 -2.457 -6.908 9.891 1.00 0.00 C ATOM 109 NZ LYS A 7 -3.203 -7.684 10.932 1.00 0.00 N ATOM 0 H LYS A 7 -0.231 -11.630 6.662 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.918 -8.779 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.693 -10.323 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.031 -10.570 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.753 -8.882 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.049 -7.946 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.025 -7.419 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.896 -8.665 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.560 -6.452 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.069 -6.099 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.476 -7.049 11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.057 -8.100 10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.595 -8.442 11.302 1.00 0.00 H new ATOM 123 N GLU A 8 2.219 -9.570 6.774 1.00 0.00 N ATOM 124 CA GLU A 8 3.594 -8.943 6.713 1.00 0.00 C ATOM 125 C GLU A 8 3.675 -8.174 5.403 1.00 0.00 C ATOM 126 O GLU A 8 4.019 -7.014 5.376 1.00 0.00 O ATOM 127 CB GLU A 8 4.625 -10.072 6.672 1.00 0.00 C ATOM 128 CG GLU A 8 5.045 -10.480 8.079 1.00 0.00 C ATOM 129 CD GLU A 8 5.915 -11.737 8.013 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.078 -11.618 7.657 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.407 -12.801 8.321 1.00 0.00 O ATOM 0 H GLU A 8 2.210 -10.590 6.752 1.00 0.00 H new ATOM 0 HA GLU A 8 3.777 -8.291 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.207 -10.932 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.500 -9.750 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.597 -9.669 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.164 -10.668 8.692 1.00 0.00 H new ATOM 138 N GLN A 9 3.287 -8.829 4.320 1.00 0.00 N ATOM 139 CA GLN A 9 3.242 -8.170 2.990 1.00 0.00 C ATOM 140 C GLN A 9 2.219 -7.036 3.066 1.00 0.00 C ATOM 141 O GLN A 9 2.429 -5.984 2.537 1.00 0.00 O ATOM 142 CB GLN A 9 2.748 -9.219 1.996 1.00 0.00 C ATOM 143 CG GLN A 9 3.748 -10.357 1.803 1.00 0.00 C ATOM 144 CD GLN A 9 3.058 -11.464 0.999 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.472 -12.366 1.565 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.090 -11.431 -0.308 1.00 0.00 N ATOM 0 H GLN A 9 2.998 -9.807 4.317 1.00 0.00 H new ATOM 0 HA GLN A 9 4.214 -7.777 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.800 -9.628 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.555 -8.742 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.634 -10.000 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.082 -10.739 2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.581 -10.676 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.624 -12.160 -0.848 1.00 0.00 H new ATOM 155 N GLN A 10 1.121 -7.265 3.766 1.00 0.00 N ATOM 156 CA GLN A 10 0.060 -6.218 3.953 1.00 0.00 C ATOM 157 C GLN A 10 0.646 -5.022 4.713 1.00 0.00 C ATOM 158 O GLN A 10 0.430 -3.883 4.341 1.00 0.00 O ATOM 159 CB GLN A 10 -1.016 -6.914 4.793 1.00 0.00 C ATOM 160 CG GLN A 10 -2.383 -6.761 4.133 1.00 0.00 C ATOM 161 CD GLN A 10 -2.889 -8.109 3.598 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.249 -8.217 2.453 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.966 -9.142 4.397 1.00 0.00 N ATOM 0 H GLN A 10 0.916 -8.154 4.223 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.336 -5.838 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.774 -7.971 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.038 -6.486 5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.096 -6.361 4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.318 -6.042 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.664 -9.060 5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.328 -10.030 4.049 1.00 0.00 H new ATOM 172 N ASN A 11 1.402 -5.288 5.760 1.00 0.00 N ATOM 173 CA ASN A 11 2.041 -4.199 6.556 1.00 0.00 C ATOM 174 C ASN A 11 3.141 -3.548 5.723 1.00 0.00 C ATOM 175 O ASN A 11 3.194 -2.350 5.612 1.00 0.00 O ATOM 176 CB ASN A 11 2.649 -4.879 7.793 1.00 0.00 C ATOM 177 CG ASN A 11 3.025 -3.813 8.827 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.165 -3.259 9.485 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.280 -3.489 8.991 1.00 0.00 N ATOM 0 H ASN A 11 1.602 -6.230 6.096 1.00 0.00 H new ATOM 0 HA ASN A 11 1.327 -3.426 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.935 -5.582 8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.531 -5.453 7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.537 -2.773 9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.003 -3.953 8.440 1.00 0.00 H new ATOM 186 N ALA A 12 3.999 -4.348 5.115 1.00 0.00 N ATOM 187 CA ALA A 12 5.089 -3.792 4.255 1.00 0.00 C ATOM 188 C ALA A 12 4.469 -3.041 3.076 1.00 0.00 C ATOM 189 O ALA A 12 4.917 -1.973 2.728 1.00 0.00 O ATOM 190 CB ALA A 12 5.886 -4.996 3.757 1.00 0.00 C ATOM 0 H ALA A 12 3.985 -5.366 5.183 1.00 0.00 H new ATOM 0 HA ALA A 12 5.727 -3.095 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.701 -4.654 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.295 -5.539 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.231 -5.655 3.187 1.00 0.00 H new ATOM 196 N PHE A 13 3.409 -3.585 2.503 1.00 0.00 N ATOM 197 CA PHE A 13 2.695 -2.906 1.376 1.00 0.00 C ATOM 198 C PHE A 13 2.186 -1.567 1.886 1.00 0.00 C ATOM 199 O PHE A 13 2.552 -0.527 1.376 1.00 0.00 O ATOM 200 CB PHE A 13 1.508 -3.839 1.016 1.00 0.00 C ATOM 201 CG PHE A 13 0.546 -3.144 0.090 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.010 -2.567 -1.085 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.818 -3.114 0.394 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.119 -1.960 -1.954 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.711 -2.500 -0.475 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.244 -1.926 -1.647 1.00 0.00 C ATOM 0 H PHE A 13 3.009 -4.482 2.777 1.00 0.00 H new ATOM 0 HA PHE A 13 3.327 -2.729 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.883 -4.747 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.990 -4.143 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.064 -2.592 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.178 -3.569 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.477 -1.513 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.764 -2.470 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.936 -1.450 -2.326 1.00 0.00 H new ATOM 216 N TYR A 14 1.372 -1.609 2.921 1.00 0.00 N ATOM 217 CA TYR A 14 0.823 -0.366 3.528 1.00 0.00 C ATOM 218 C TYR A 14 1.954 0.607 3.884 1.00 0.00 C ATOM 219 O TYR A 14 1.923 1.748 3.495 1.00 0.00 O ATOM 220 CB TYR A 14 0.133 -0.833 4.795 1.00 0.00 C ATOM 221 CG TYR A 14 -0.510 0.345 5.459 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.765 0.783 5.041 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.139 0.983 6.517 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.363 1.836 5.664 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.463 2.068 7.148 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.722 2.502 6.723 1.00 0.00 C ATOM 227 OH TYR A 14 -2.336 3.583 7.340 1.00 0.00 O ATOM 0 H TYR A 14 1.065 -2.471 3.372 1.00 0.00 H new ATOM 0 HA TYR A 14 0.152 0.158 2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.616 -1.589 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.854 -1.298 5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.264 0.287 4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.107 0.635 6.846 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.340 2.163 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.039 2.571 7.961 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.348 4.347 6.726 1.00 0.00 H new ATOM 237 N GLU A 15 2.956 0.148 4.608 1.00 0.00 N ATOM 238 CA GLU A 15 4.095 1.043 4.986 1.00 0.00 C ATOM 239 C GLU A 15 4.776 1.579 3.720 1.00 0.00 C ATOM 240 O GLU A 15 5.040 2.755 3.645 1.00 0.00 O ATOM 241 CB GLU A 15 5.044 0.190 5.836 1.00 0.00 C ATOM 242 CG GLU A 15 4.403 -0.139 7.204 1.00 0.00 C ATOM 243 CD GLU A 15 4.067 1.148 7.974 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.973 1.932 8.219 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.906 1.331 8.300 1.00 0.00 O ATOM 0 H GLU A 15 3.030 -0.810 4.951 1.00 0.00 H new ATOM 0 HA GLU A 15 3.768 1.915 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.282 -0.734 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.983 0.722 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.496 -0.725 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.086 -0.752 7.792 1.00 0.00 H new ATOM 252 N ILE A 16 4.996 0.749 2.703 1.00 0.00 N ATOM 253 CA ILE A 16 5.597 1.266 1.408 1.00 0.00 C ATOM 254 C ILE A 16 4.721 2.422 0.883 1.00 0.00 C ATOM 255 O ILE A 16 5.223 3.478 0.531 1.00 0.00 O ATOM 256 CB ILE A 16 5.616 0.045 0.449 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.948 -0.678 0.648 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.472 0.460 -1.030 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.767 -2.176 0.439 1.00 0.00 C ATOM 0 H ILE A 16 4.788 -0.250 2.714 1.00 0.00 H new ATOM 0 HA ILE A 16 6.605 1.666 1.519 1.00 0.00 H new ATOM 0 HB ILE A 16 4.768 -0.599 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.688 -0.292 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.328 -0.486 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.491 -0.429 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.527 0.984 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.296 1.118 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.722 -2.681 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.042 -2.559 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.408 -2.361 -0.573 1.00 0.00 H new ATOM 271 N LEU A 17 3.416 2.228 0.875 1.00 0.00 N ATOM 272 CA LEU A 17 2.473 3.321 0.425 1.00 0.00 C ATOM 273 C LEU A 17 2.473 4.494 1.441 1.00 0.00 C ATOM 274 O LEU A 17 2.352 5.637 1.068 1.00 0.00 O ATOM 275 CB LEU A 17 1.068 2.690 0.370 1.00 0.00 C ATOM 276 CG LEU A 17 1.043 1.523 -0.626 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.348 0.326 -0.024 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.258 1.874 -1.861 1.00 0.00 C ATOM 0 H LEU A 17 2.961 1.361 1.160 1.00 0.00 H new ATOM 0 HA LEU A 17 2.777 3.719 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.782 2.337 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.336 3.442 0.077 1.00 0.00 H new ATOM 0 HG LEU A 17 2.083 1.307 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.340 -0.491 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.878 0.012 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.677 0.592 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.260 1.026 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.768 2.114 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.713 2.736 -2.349 1.00 0.00 H new ATOM 290 N HIS A 18 2.593 4.211 2.725 1.00 0.00 N ATOM 291 CA HIS A 18 2.581 5.304 3.764 1.00 0.00 C ATOM 292 C HIS A 18 4.009 5.821 4.098 1.00 0.00 C ATOM 293 O HIS A 18 4.169 6.597 5.027 1.00 0.00 O ATOM 294 CB HIS A 18 1.908 4.679 5.010 1.00 0.00 C ATOM 295 CG HIS A 18 0.418 4.511 4.776 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.314 3.527 4.158 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.523 5.453 5.184 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.648 3.860 4.160 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.736 5.000 4.792 1.00 0.00 N flip ATOM 0 H HIS A 18 2.699 3.268 3.099 1.00 0.00 H new ATOM 0 HA HIS A 18 2.041 6.178 3.401 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.360 3.712 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.077 5.314 5.880 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.075 2.674 3.756 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.322 6.372 5.714 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.459 3.294 3.727 1.00 0.00 H new ATOM 307 N LEU A 19 5.045 5.420 3.359 1.00 0.00 N ATOM 308 CA LEU A 19 6.440 5.925 3.664 1.00 0.00 C ATOM 309 C LEU A 19 6.559 7.411 3.248 1.00 0.00 C ATOM 310 O LEU A 19 5.906 7.838 2.310 1.00 0.00 O ATOM 311 CB LEU A 19 7.424 5.057 2.851 1.00 0.00 C ATOM 312 CG LEU A 19 7.905 3.842 3.676 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.798 2.969 2.794 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.712 4.296 4.908 1.00 0.00 C ATOM 0 H LEU A 19 4.981 4.775 2.571 1.00 0.00 H new ATOM 0 HA LEU A 19 6.661 5.856 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.940 4.712 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.282 5.659 2.550 1.00 0.00 H new ATOM 0 HG LEU A 19 7.033 3.284 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.144 2.108 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.231 2.626 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.657 3.550 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.039 3.422 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.583 4.865 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.086 4.923 5.542 1.00 0.00 H new ATOM 326 N PRO A 20 7.366 8.159 3.983 1.00 0.00 N ATOM 327 CA PRO A 20 7.533 9.620 3.710 1.00 0.00 C ATOM 328 C PRO A 20 8.290 9.939 2.398 1.00 0.00 C ATOM 329 O PRO A 20 8.113 11.019 1.860 1.00 0.00 O ATOM 330 CB PRO A 20 8.323 10.123 4.917 1.00 0.00 C ATOM 331 CG PRO A 20 9.052 8.926 5.427 1.00 0.00 C ATOM 332 CD PRO A 20 8.193 7.730 5.125 1.00 0.00 C ATOM 0 HA PRO A 20 6.563 10.099 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.015 10.916 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.661 10.536 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.026 8.833 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.232 9.011 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.798 6.858 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.578 7.455 5.982 1.00 0.00 H new ATOM 340 N ASN A 21 9.142 9.055 1.884 1.00 0.00 N ATOM 341 CA ASN A 21 9.892 9.400 0.622 1.00 0.00 C ATOM 342 C ASN A 21 9.746 8.346 -0.497 1.00 0.00 C ATOM 343 O ASN A 21 10.469 8.405 -1.480 1.00 0.00 O ATOM 344 CB ASN A 21 11.353 9.555 1.062 1.00 0.00 C ATOM 345 CG ASN A 21 11.561 10.948 1.664 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.624 11.926 0.948 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.667 11.083 2.960 1.00 0.00 N ATOM 0 H ASN A 21 9.342 8.135 2.277 1.00 0.00 H new ATOM 0 HA ASN A 21 9.488 10.308 0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.606 8.789 1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.017 9.413 0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.802 12.008 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.614 10.263 3.564 1.00 0.00 H new ATOM 354 N LEU A 22 8.798 7.422 -0.406 1.00 0.00 N ATOM 355 CA LEU A 22 8.617 6.440 -1.532 1.00 0.00 C ATOM 356 C LEU A 22 7.671 7.056 -2.568 1.00 0.00 C ATOM 357 O LEU A 22 6.659 7.649 -2.221 1.00 0.00 O ATOM 358 CB LEU A 22 8.001 5.151 -0.946 1.00 0.00 C ATOM 359 CG LEU A 22 9.066 4.196 -0.340 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.594 2.757 -0.533 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.435 4.331 -1.023 1.00 0.00 C ATOM 0 H LEU A 22 8.159 7.311 0.381 1.00 0.00 H new ATOM 0 HA LEU A 22 9.568 6.207 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.278 5.417 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.453 4.627 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 22 9.179 4.459 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.331 2.073 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.639 2.617 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.475 2.553 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.142 3.642 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.338 4.095 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.799 5.352 -0.911 1.00 0.00 H new ATOM 373 N ASN A 23 7.994 6.923 -3.835 1.00 0.00 N ATOM 374 CA ASN A 23 7.119 7.508 -4.913 1.00 0.00 C ATOM 375 C ASN A 23 6.464 6.408 -5.748 1.00 0.00 C ATOM 376 O ASN A 23 6.540 5.244 -5.426 1.00 0.00 O ATOM 377 CB ASN A 23 8.025 8.411 -5.784 1.00 0.00 C ATOM 378 CG ASN A 23 9.063 7.601 -6.590 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.265 6.431 -6.359 1.00 0.00 O ATOM 380 ND2 ASN A 23 9.737 8.189 -7.541 1.00 0.00 N ATOM 0 H ASN A 23 8.824 6.436 -4.172 1.00 0.00 H new ATOM 0 HA ASN A 23 6.304 8.087 -4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.406 8.988 -6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.543 9.126 -5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.425 7.662 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.576 9.175 -7.746 1.00 0.00 H new ATOM 387 N GLU A 24 5.816 6.795 -6.821 1.00 0.00 N ATOM 388 CA GLU A 24 5.119 5.800 -7.712 1.00 0.00 C ATOM 389 C GLU A 24 6.110 4.753 -8.248 1.00 0.00 C ATOM 390 O GLU A 24 5.767 3.601 -8.378 1.00 0.00 O ATOM 391 CB GLU A 24 4.533 6.632 -8.865 1.00 0.00 C ATOM 392 CG GLU A 24 3.542 5.785 -9.682 1.00 0.00 C ATOM 393 CD GLU A 24 2.151 5.769 -9.016 1.00 0.00 C ATOM 394 OE1 GLU A 24 1.651 6.832 -8.676 1.00 0.00 O ATOM 395 OE2 GLU A 24 1.599 4.692 -8.882 1.00 0.00 O ATOM 0 H GLU A 24 5.737 7.766 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 24 4.349 5.247 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.028 7.513 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.336 6.989 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.461 6.186 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.918 4.766 -9.773 1.00 0.00 H new ATOM 402 N GLU A 25 7.330 5.154 -8.550 1.00 0.00 N ATOM 403 CA GLU A 25 8.353 4.183 -9.079 1.00 0.00 C ATOM 404 C GLU A 25 8.836 3.223 -7.970 1.00 0.00 C ATOM 405 O GLU A 25 8.813 2.017 -8.141 1.00 0.00 O ATOM 406 CB GLU A 25 9.513 5.066 -9.570 1.00 0.00 C ATOM 407 CG GLU A 25 10.603 4.199 -10.218 1.00 0.00 C ATOM 408 CD GLU A 25 11.845 5.056 -10.498 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.502 5.446 -9.542 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.123 5.296 -11.660 1.00 0.00 O ATOM 0 H GLU A 25 7.661 6.114 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 25 7.944 3.554 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.144 5.797 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.933 5.626 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.862 3.370 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.232 3.764 -11.146 1.00 0.00 H new ATOM 417 N GLN A 26 9.279 3.758 -6.847 1.00 0.00 N ATOM 418 CA GLN A 26 9.785 2.899 -5.715 1.00 0.00 C ATOM 419 C GLN A 26 8.648 2.093 -5.065 1.00 0.00 C ATOM 420 O GLN A 26 8.750 0.894 -4.930 1.00 0.00 O ATOM 421 CB GLN A 26 10.402 3.876 -4.705 1.00 0.00 C ATOM 422 CG GLN A 26 11.750 4.402 -5.240 1.00 0.00 C ATOM 423 CD GLN A 26 11.819 5.934 -5.122 1.00 0.00 C ATOM 424 OE1 GLN A 26 11.417 6.525 -4.028 1.00 0.00 O flip ATOM 425 NE2 GLN A 26 12.250 6.600 -6.040 1.00 0.00 N flip ATOM 0 H GLN A 26 9.312 4.761 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 26 10.509 2.165 -6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.721 4.709 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.551 3.377 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.570 3.952 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.874 4.106 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.565 6.145 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.297 7.615 -5.955 1.00 0.00 H new ATOM 434 N ARG A 27 7.576 2.745 -4.667 1.00 0.00 N ATOM 435 CA ARG A 27 6.420 2.027 -4.012 1.00 0.00 C ATOM 436 C ARG A 27 5.827 0.914 -4.927 1.00 0.00 C ATOM 437 O ARG A 27 5.578 -0.179 -4.464 1.00 0.00 O ATOM 438 CB ARG A 27 5.372 3.135 -3.770 1.00 0.00 C ATOM 439 CG ARG A 27 4.010 2.542 -3.386 1.00 0.00 C ATOM 440 CD ARG A 27 2.942 3.643 -3.397 1.00 0.00 C ATOM 441 NE ARG A 27 2.879 4.130 -4.814 1.00 0.00 N ATOM 442 CZ ARG A 27 2.809 5.414 -5.083 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.731 6.231 -4.641 1.00 0.00 N ATOM 444 NH2 ARG A 27 1.821 5.876 -5.806 1.00 0.00 N ATOM 0 H ARG A 27 7.448 3.752 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 27 6.731 1.521 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.718 3.799 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.266 3.741 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.737 1.751 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.067 2.088 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.976 3.255 -3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.206 4.452 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 27 2.891 3.455 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.507 5.871 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.673 7.227 -4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.107 5.239 -6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.765 6.873 -6.016 1.00 0.00 H new ATOM 458 N ASN A 28 5.593 1.188 -6.210 1.00 0.00 N ATOM 459 CA ASN A 28 5.001 0.138 -7.138 1.00 0.00 C ATOM 460 C ASN A 28 5.973 -1.026 -7.323 1.00 0.00 C ATOM 461 O ASN A 28 5.598 -2.170 -7.163 1.00 0.00 O ATOM 462 CB ASN A 28 4.756 0.862 -8.472 1.00 0.00 C ATOM 463 CG ASN A 28 4.674 -0.114 -9.661 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.100 -1.183 -9.561 1.00 0.00 O ATOM 465 ND2 ASN A 28 5.221 0.222 -10.798 1.00 0.00 N ATOM 0 H ASN A 28 5.786 2.088 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 28 4.081 -0.286 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.829 1.432 -8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.559 1.578 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.166 -0.410 -11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.703 1.116 -10.887 1.00 0.00 H new ATOM 472 N ALA A 29 7.217 -0.733 -7.643 1.00 0.00 N ATOM 473 CA ALA A 29 8.241 -1.817 -7.817 1.00 0.00 C ATOM 474 C ALA A 29 8.343 -2.627 -6.519 1.00 0.00 C ATOM 475 O ALA A 29 8.511 -3.833 -6.541 1.00 0.00 O ATOM 476 CB ALA A 29 9.535 -1.076 -8.098 1.00 0.00 C ATOM 0 H ALA A 29 7.566 0.214 -7.791 1.00 0.00 H new ATOM 0 HA ALA A 29 7.997 -2.518 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.342 -1.794 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.422 -0.475 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.772 -0.425 -7.256 1.00 0.00 H new ATOM 482 N PHE A 30 8.181 -1.959 -5.395 1.00 0.00 N ATOM 483 CA PHE A 30 8.188 -2.648 -4.071 1.00 0.00 C ATOM 484 C PHE A 30 6.974 -3.551 -3.973 1.00 0.00 C ATOM 485 O PHE A 30 7.079 -4.694 -3.604 1.00 0.00 O ATOM 486 CB PHE A 30 8.081 -1.527 -3.054 1.00 0.00 C ATOM 487 CG PHE A 30 9.459 -1.164 -2.614 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.479 -0.871 -3.538 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.720 -1.146 -1.271 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.756 -0.564 -3.074 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.974 -0.855 -0.826 1.00 0.00 C ATOM 492 CZ PHE A 30 11.996 -0.564 -1.710 1.00 0.00 C ATOM 0 H PHE A 30 8.043 -0.950 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 30 9.076 -3.261 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.582 -0.663 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.481 -1.844 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.273 -0.884 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.932 -1.362 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.549 -0.329 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.173 -0.852 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.983 -0.336 -1.336 1.00 0.00 H new ATOM 502 N ILE A 31 5.832 -3.038 -4.354 1.00 0.00 N ATOM 503 CA ILE A 31 4.580 -3.848 -4.361 1.00 0.00 C ATOM 504 C ILE A 31 4.740 -5.011 -5.366 1.00 0.00 C ATOM 505 O ILE A 31 4.176 -6.065 -5.163 1.00 0.00 O ATOM 506 CB ILE A 31 3.482 -2.838 -4.720 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.307 -1.899 -3.523 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.178 -3.556 -4.989 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.588 -0.632 -3.949 1.00 0.00 C ATOM 0 H ILE A 31 5.714 -2.074 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 31 4.335 -4.331 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 31 3.761 -2.283 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.741 -2.401 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.281 -1.649 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.407 -2.828 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.309 -4.250 -5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.877 -4.108 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.470 0.026 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.171 -0.124 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.606 -0.887 -4.347 1.00 0.00 H new ATOM 521 N GLN A 32 5.561 -4.852 -6.407 1.00 0.00 N ATOM 522 CA GLN A 32 5.802 -5.995 -7.356 1.00 0.00 C ATOM 523 C GLN A 32 6.662 -7.061 -6.640 1.00 0.00 C ATOM 524 O GLN A 32 6.307 -8.221 -6.614 1.00 0.00 O ATOM 525 CB GLN A 32 6.535 -5.398 -8.572 1.00 0.00 C ATOM 526 CG GLN A 32 5.558 -4.544 -9.393 1.00 0.00 C ATOM 527 CD GLN A 32 6.294 -3.873 -10.555 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.647 -2.714 -10.476 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.543 -4.554 -11.644 1.00 0.00 N ATOM 0 H GLN A 32 6.061 -3.991 -6.628 1.00 0.00 H new ATOM 0 HA GLN A 32 4.880 -6.479 -7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.376 -4.789 -8.240 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.945 -6.196 -9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.750 -5.168 -9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.101 -3.787 -8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.248 -5.528 -11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.032 -4.111 -12.422 1.00 0.00 H new ATOM 538 N SER A 33 7.758 -6.652 -6.011 1.00 0.00 N ATOM 539 CA SER A 33 8.627 -7.617 -5.233 1.00 0.00 C ATOM 540 C SER A 33 7.894 -8.128 -3.971 1.00 0.00 C ATOM 541 O SER A 33 8.158 -9.218 -3.495 1.00 0.00 O ATOM 542 CB SER A 33 9.894 -6.827 -4.861 1.00 0.00 C ATOM 543 OG SER A 33 9.542 -5.595 -4.251 1.00 0.00 O ATOM 0 H SER A 33 8.087 -5.686 -6.005 1.00 0.00 H new ATOM 0 HA SER A 33 8.870 -8.503 -5.820 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.511 -7.414 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.491 -6.642 -5.754 1.00 0.00 H new ATOM 0 HG SER A 33 8.572 -5.563 -4.114 1.00 0.00 H new ATOM 549 N LEU A 34 6.987 -7.339 -3.435 1.00 0.00 N ATOM 550 CA LEU A 34 6.217 -7.723 -2.205 1.00 0.00 C ATOM 551 C LEU A 34 5.077 -8.708 -2.542 1.00 0.00 C ATOM 552 O LEU A 34 4.922 -9.716 -1.876 1.00 0.00 O ATOM 553 CB LEU A 34 5.689 -6.371 -1.689 1.00 0.00 C ATOM 554 CG LEU A 34 4.955 -6.513 -0.357 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.937 -6.814 0.758 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.254 -5.202 -0.045 1.00 0.00 C ATOM 0 H LEU A 34 6.744 -6.422 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 34 6.818 -8.247 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.522 -5.678 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.016 -5.938 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 34 4.236 -7.329 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.398 -6.912 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.460 -7.745 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.659 -6.001 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.725 -5.289 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.991 -4.402 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.542 -4.973 -0.837 1.00 0.00 H new ATOM 568 N LYS A 35 4.288 -8.427 -3.569 1.00 0.00 N ATOM 569 CA LYS A 35 3.160 -9.356 -3.955 1.00 0.00 C ATOM 570 C LYS A 35 3.732 -10.647 -4.570 1.00 0.00 C ATOM 571 O LYS A 35 3.185 -11.716 -4.362 1.00 0.00 O ATOM 572 CB LYS A 35 2.265 -8.573 -4.952 1.00 0.00 C ATOM 573 CG LYS A 35 0.987 -8.101 -4.250 1.00 0.00 C ATOM 574 CD LYS A 35 -0.240 -8.636 -4.987 1.00 0.00 C ATOM 575 CE LYS A 35 -0.767 -7.570 -5.958 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.041 -8.285 -7.242 1.00 0.00 N ATOM 0 H LYS A 35 4.378 -7.596 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 35 2.567 -9.664 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.810 -7.716 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.010 -9.208 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.981 -8.447 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.959 -7.012 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.019 -9.543 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.017 -8.906 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.672 -7.102 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.034 -6.776 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.750 -7.757 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.162 -8.358 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.402 -9.239 -7.038 1.00 0.00 H new ATOM 590 N ASP A 36 4.837 -10.562 -5.292 1.00 0.00 N ATOM 591 CA ASP A 36 5.459 -11.797 -5.883 1.00 0.00 C ATOM 592 C ASP A 36 6.257 -12.578 -4.809 1.00 0.00 C ATOM 593 O ASP A 36 6.241 -13.797 -4.804 1.00 0.00 O ATOM 594 CB ASP A 36 6.384 -11.309 -7.022 1.00 0.00 C ATOM 595 CG ASP A 36 5.580 -10.665 -8.184 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.377 -10.887 -8.283 1.00 0.00 O ATOM 597 OD2 ASP A 36 6.196 -9.964 -8.970 1.00 0.00 O ATOM 0 H ASP A 36 5.330 -9.692 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 36 4.701 -12.483 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.095 -10.584 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.964 -12.149 -7.404 1.00 0.00 H new ATOM 602 N ASP A 37 6.943 -11.889 -3.903 1.00 0.00 N ATOM 603 CA ASP A 37 7.731 -12.595 -2.827 1.00 0.00 C ATOM 604 C ASP A 37 7.170 -12.253 -1.426 1.00 0.00 C ATOM 605 O ASP A 37 7.408 -11.170 -0.915 1.00 0.00 O ATOM 606 CB ASP A 37 9.181 -12.099 -2.967 1.00 0.00 C ATOM 607 CG ASP A 37 10.143 -13.142 -2.375 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.083 -13.370 -1.173 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.920 -13.696 -3.131 1.00 0.00 O ATOM 0 H ASP A 37 6.988 -10.871 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 37 7.669 -13.678 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.417 -11.927 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.301 -11.146 -2.453 1.00 0.00 H new ATOM 614 N PRO A 38 6.435 -13.195 -0.850 1.00 0.00 N ATOM 615 CA PRO A 38 5.832 -12.992 0.503 1.00 0.00 C ATOM 616 C PRO A 38 6.890 -12.950 1.627 1.00 0.00 C ATOM 617 O PRO A 38 6.786 -12.145 2.535 1.00 0.00 O ATOM 618 CB PRO A 38 4.915 -14.208 0.664 1.00 0.00 C ATOM 619 CG PRO A 38 5.503 -15.251 -0.223 1.00 0.00 C ATOM 620 CD PRO A 38 6.085 -14.521 -1.395 1.00 0.00 C ATOM 0 HA PRO A 38 5.313 -12.036 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.882 -14.544 1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.891 -13.972 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.270 -15.821 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.742 -15.962 -0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.962 -15.034 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.368 -14.440 -2.212 1.00 0.00 H new ATOM 628 N SER A 39 7.886 -13.817 1.583 1.00 0.00 N ATOM 629 CA SER A 39 8.946 -13.844 2.660 1.00 0.00 C ATOM 630 C SER A 39 9.785 -12.554 2.680 1.00 0.00 C ATOM 631 O SER A 39 10.213 -12.121 3.737 1.00 0.00 O ATOM 632 CB SER A 39 9.836 -15.052 2.342 1.00 0.00 C ATOM 633 OG SER A 39 9.055 -16.243 2.387 1.00 0.00 O ATOM 0 H SER A 39 8.011 -14.510 0.845 1.00 0.00 H new ATOM 0 HA SER A 39 8.485 -13.918 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.285 -14.936 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.654 -15.114 3.060 1.00 0.00 H new ATOM 0 HG SER A 39 9.623 -17.015 2.182 1.00 0.00 H new ATOM 639 N GLN A 40 10.022 -11.937 1.535 1.00 0.00 N ATOM 640 CA GLN A 40 10.837 -10.673 1.507 1.00 0.00 C ATOM 641 C GLN A 40 10.000 -9.441 1.914 1.00 0.00 C ATOM 642 O GLN A 40 10.514 -8.349 1.902 1.00 0.00 O ATOM 643 CB GLN A 40 11.305 -10.514 0.049 1.00 0.00 C ATOM 644 CG GLN A 40 12.659 -9.795 0.018 1.00 0.00 C ATOM 645 CD GLN A 40 12.915 -9.233 -1.385 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.963 -9.970 -2.352 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.092 -7.949 -1.540 1.00 0.00 N ATOM 0 H GLN A 40 9.687 -12.255 0.625 1.00 0.00 H new ATOM 0 HA GLN A 40 11.665 -10.738 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.390 -11.492 -0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.568 -9.947 -0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.670 -8.988 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.455 -10.487 0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.053 -7.328 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.270 -7.567 -2.469 1.00 0.00 H new ATOM 656 N SER A 41 8.722 -9.593 2.237 1.00 0.00 N ATOM 657 CA SER A 41 7.873 -8.397 2.590 1.00 0.00 C ATOM 658 C SER A 41 8.467 -7.542 3.718 1.00 0.00 C ATOM 659 O SER A 41 8.567 -6.342 3.561 1.00 0.00 O ATOM 660 CB SER A 41 6.503 -8.954 2.995 1.00 0.00 C ATOM 661 OG SER A 41 6.635 -9.800 4.132 1.00 0.00 O ATOM 0 H SER A 41 8.237 -10.490 2.270 1.00 0.00 H new ATOM 0 HA SER A 41 7.810 -7.726 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.821 -8.134 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.069 -9.512 2.165 1.00 0.00 H new ATOM 0 HG SER A 41 6.709 -10.732 3.839 1.00 0.00 H new ATOM 667 N ALA A 42 8.880 -8.118 4.835 1.00 0.00 N ATOM 668 CA ALA A 42 9.494 -7.259 5.914 1.00 0.00 C ATOM 669 C ALA A 42 10.736 -6.566 5.358 1.00 0.00 C ATOM 670 O ALA A 42 10.893 -5.372 5.501 1.00 0.00 O ATOM 671 CB ALA A 42 9.927 -8.192 7.011 1.00 0.00 C ATOM 0 H ALA A 42 8.821 -9.115 5.042 1.00 0.00 H new ATOM 0 HA ALA A 42 8.787 -6.510 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.380 -7.618 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.061 -8.733 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.655 -8.902 6.619 1.00 0.00 H new ATOM 677 N ASN A 43 11.592 -7.321 4.679 1.00 0.00 N ATOM 678 CA ASN A 43 12.810 -6.729 4.036 1.00 0.00 C ATOM 679 C ASN A 43 12.380 -5.636 3.075 1.00 0.00 C ATOM 680 O ASN A 43 13.043 -4.642 2.949 1.00 0.00 O ATOM 681 CB ASN A 43 13.445 -7.844 3.216 1.00 0.00 C ATOM 682 CG ASN A 43 14.597 -8.484 3.995 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.509 -9.627 4.397 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.684 -7.795 4.228 1.00 0.00 N ATOM 0 H ASN A 43 11.489 -8.327 4.548 1.00 0.00 H new ATOM 0 HA ASN A 43 13.492 -6.320 4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.697 -8.599 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.813 -7.445 2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.455 -8.218 4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.761 -6.835 3.892 1.00 0.00 H new ATOM 691 N LEU A 44 11.260 -5.837 2.405 1.00 0.00 N ATOM 692 CA LEU A 44 10.736 -4.823 1.451 1.00 0.00 C ATOM 693 C LEU A 44 10.327 -3.588 2.188 1.00 0.00 C ATOM 694 O LEU A 44 10.658 -2.504 1.772 1.00 0.00 O ATOM 695 CB LEU A 44 9.557 -5.460 0.757 1.00 0.00 C ATOM 696 CG LEU A 44 10.116 -6.390 -0.287 1.00 0.00 C ATOM 697 CD1 LEU A 44 8.983 -7.198 -0.876 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.817 -5.543 -1.342 1.00 0.00 C ATOM 0 H LEU A 44 10.687 -6.677 2.488 1.00 0.00 H new ATOM 0 HA LEU A 44 11.492 -4.524 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.938 -6.006 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.922 -4.702 0.299 1.00 0.00 H new ATOM 0 HG LEU A 44 10.838 -7.088 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.375 -7.876 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.500 -7.775 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.255 -6.526 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.233 -6.192 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.100 -4.857 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.621 -4.973 -0.876 1.00 0.00 H new ATOM 710 N LEU A 45 9.670 -3.728 3.310 1.00 0.00 N ATOM 711 CA LEU A 45 9.347 -2.502 4.075 1.00 0.00 C ATOM 712 C LEU A 45 10.661 -1.929 4.613 1.00 0.00 C ATOM 713 O LEU A 45 10.883 -0.755 4.529 1.00 0.00 O ATOM 714 CB LEU A 45 8.411 -2.905 5.189 1.00 0.00 C ATOM 715 CG LEU A 45 8.290 -1.761 6.196 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.995 -0.430 5.468 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.175 -2.102 7.174 1.00 0.00 C ATOM 0 H LEU A 45 9.355 -4.610 3.714 1.00 0.00 H new ATOM 0 HA LEU A 45 8.863 -1.737 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.430 -3.150 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.784 -3.801 5.685 1.00 0.00 H new ATOM 0 HG LEU A 45 9.228 -1.638 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.912 0.374 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.806 -0.207 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.059 -0.517 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.071 -1.298 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.238 -2.222 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.416 -3.031 7.691 1.00 0.00 H new ATOM 729 N ALA A 46 11.543 -2.765 5.129 1.00 0.00 N ATOM 730 CA ALA A 46 12.873 -2.263 5.625 1.00 0.00 C ATOM 731 C ALA A 46 13.611 -1.533 4.505 1.00 0.00 C ATOM 732 O ALA A 46 14.123 -0.465 4.725 1.00 0.00 O ATOM 733 CB ALA A 46 13.678 -3.502 5.962 1.00 0.00 C ATOM 0 H ALA A 46 11.399 -3.770 5.227 1.00 0.00 H new ATOM 0 HA ALA A 46 12.741 -1.587 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.661 -3.208 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.159 -4.075 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.794 -4.115 5.068 1.00 0.00 H new ATOM 739 N GLU A 47 13.646 -2.099 3.307 1.00 0.00 N ATOM 740 CA GLU A 47 14.327 -1.408 2.172 1.00 0.00 C ATOM 741 C GLU A 47 13.493 -0.188 1.781 1.00 0.00 C ATOM 742 O GLU A 47 14.042 0.829 1.437 1.00 0.00 O ATOM 743 CB GLU A 47 14.507 -2.412 1.019 1.00 0.00 C ATOM 744 CG GLU A 47 13.194 -2.911 0.488 1.00 0.00 C ATOM 745 CD GLU A 47 13.455 -3.939 -0.612 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.838 -5.051 -0.278 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.272 -3.599 -1.770 1.00 0.00 O ATOM 0 H GLU A 47 13.232 -3.003 3.079 1.00 0.00 H new ATOM 0 HA GLU A 47 15.320 -1.052 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.067 -1.939 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.101 -3.257 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.610 -3.361 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.608 -2.080 0.095 1.00 0.00 H new ATOM 754 N ALA A 48 12.167 -0.261 1.870 1.00 0.00 N ATOM 755 CA ALA A 48 11.329 0.936 1.565 1.00 0.00 C ATOM 756 C ALA A 48 11.611 2.011 2.621 1.00 0.00 C ATOM 757 O ALA A 48 11.732 3.178 2.311 1.00 0.00 O ATOM 758 CB ALA A 48 9.889 0.437 1.681 1.00 0.00 C ATOM 0 H ALA A 48 11.648 -1.096 2.139 1.00 0.00 H new ATOM 0 HA ALA A 48 11.528 1.368 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.202 1.257 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.724 -0.367 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.713 0.065 2.690 1.00 0.00 H new ATOM 764 N LYS A 49 11.769 1.592 3.866 1.00 0.00 N ATOM 765 CA LYS A 49 12.101 2.525 4.980 1.00 0.00 C ATOM 766 C LYS A 49 13.541 3.001 4.775 1.00 0.00 C ATOM 767 O LYS A 49 13.863 4.161 4.926 1.00 0.00 O ATOM 768 CB LYS A 49 11.924 1.662 6.229 1.00 0.00 C ATOM 769 CG LYS A 49 10.457 1.753 6.639 1.00 0.00 C ATOM 770 CD LYS A 49 10.078 0.530 7.448 1.00 0.00 C ATOM 771 CE LYS A 49 10.549 0.720 8.879 1.00 0.00 C ATOM 772 NZ LYS A 49 9.903 -0.373 9.670 1.00 0.00 N ATOM 0 H LYS A 49 11.677 0.617 4.151 1.00 0.00 H new ATOM 0 HA LYS A 49 11.486 3.423 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.202 0.628 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.570 2.013 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.288 2.656 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.825 1.826 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.998 0.382 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.532 -0.362 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.635 0.660 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.261 1.700 9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.189 -0.296 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.869 -0.288 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.201 -1.296 9.295 1.00 0.00 H new ATOM 786 N LYS A 50 14.377 2.088 4.335 1.00 0.00 N ATOM 787 CA LYS A 50 15.792 2.400 3.987 1.00 0.00 C ATOM 788 C LYS A 50 15.772 3.431 2.839 1.00 0.00 C ATOM 789 O LYS A 50 16.555 4.358 2.820 1.00 0.00 O ATOM 790 CB LYS A 50 16.347 1.028 3.547 1.00 0.00 C ATOM 791 CG LYS A 50 17.588 1.139 2.656 1.00 0.00 C ATOM 792 CD LYS A 50 17.606 -0.066 1.697 1.00 0.00 C ATOM 793 CE LYS A 50 18.012 -1.337 2.461 1.00 0.00 C ATOM 794 NZ LYS A 50 18.158 -2.398 1.420 1.00 0.00 N ATOM 0 H LYS A 50 14.123 1.109 4.201 1.00 0.00 H new ATOM 0 HA LYS A 50 16.397 2.831 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.594 0.442 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.570 0.483 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.568 2.072 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.492 1.153 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.622 -0.200 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.305 0.118 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.946 -1.188 3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.256 -1.611 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.434 -3.293 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.252 -2.525 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.889 -2.116 0.737 1.00 0.00 H new ATOM 808 N LEU A 51 14.833 3.277 1.915 1.00 0.00 N ATOM 809 CA LEU A 51 14.681 4.242 0.778 1.00 0.00 C ATOM 810 C LEU A 51 14.109 5.564 1.292 1.00 0.00 C ATOM 811 O LEU A 51 14.479 6.622 0.829 1.00 0.00 O ATOM 812 CB LEU A 51 13.668 3.590 -0.181 1.00 0.00 C ATOM 813 CG LEU A 51 14.364 2.943 -1.385 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.636 2.200 -0.963 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.393 1.965 -2.032 1.00 0.00 C ATOM 0 H LEU A 51 14.161 2.510 1.909 1.00 0.00 H new ATOM 0 HA LEU A 51 15.635 4.450 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.092 2.836 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.961 4.342 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 51 14.653 3.724 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.104 1.753 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.330 2.901 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.380 1.416 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.870 1.494 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.111 1.200 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.502 2.500 -2.360 1.00 0.00 H new ATOM 827 N ASN A 52 13.194 5.497 2.244 1.00 0.00 N ATOM 828 CA ASN A 52 12.573 6.741 2.798 1.00 0.00 C ATOM 829 C ASN A 52 13.658 7.638 3.433 1.00 0.00 C ATOM 830 O ASN A 52 13.619 8.844 3.290 1.00 0.00 O ATOM 831 CB ASN A 52 11.470 6.271 3.800 1.00 0.00 C ATOM 832 CG ASN A 52 11.825 6.523 5.285 1.00 0.00 C ATOM 833 OD1 ASN A 52 11.901 5.593 6.059 1.00 0.00 O ATOM 834 ND2 ASN A 52 12.005 7.738 5.730 1.00 0.00 N ATOM 0 H ASN A 52 12.855 4.628 2.657 1.00 0.00 H new ATOM 0 HA ASN A 52 12.110 7.361 2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.538 6.786 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.291 5.206 3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.207 7.895 6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.944 8.530 5.090 1.00 0.00 H new ATOM 841 N ASP A 53 14.624 7.049 4.119 1.00 0.00 N ATOM 842 CA ASP A 53 15.722 7.859 4.756 1.00 0.00 C ATOM 843 C ASP A 53 16.881 8.106 3.771 1.00 0.00 C ATOM 844 O ASP A 53 17.441 9.188 3.738 1.00 0.00 O ATOM 845 CB ASP A 53 16.213 7.031 5.954 1.00 0.00 C ATOM 846 CG ASP A 53 15.080 6.834 6.974 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.581 7.825 7.488 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.730 5.694 7.226 1.00 0.00 O ATOM 0 H ASP A 53 14.696 6.042 4.263 1.00 0.00 H new ATOM 0 HA ASP A 53 15.355 8.840 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.573 6.061 5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.055 7.533 6.430 1.00 0.00 H new ATOM 853 N ALA A 54 17.241 7.114 2.972 1.00 0.00 N ATOM 854 CA ALA A 54 18.367 7.283 1.981 1.00 0.00 C ATOM 855 C ALA A 54 17.976 8.295 0.891 1.00 0.00 C ATOM 856 O ALA A 54 18.755 9.164 0.542 1.00 0.00 O ATOM 857 CB ALA A 54 18.592 5.896 1.368 1.00 0.00 C ATOM 0 H ALA A 54 16.801 6.194 2.965 1.00 0.00 H new ATOM 0 HA ALA A 54 19.270 7.662 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.399 5.948 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.859 5.190 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.678 5.563 0.876 1.00 0.00 H new ATOM 863 N GLN A 55 16.761 8.199 0.380 1.00 0.00 N ATOM 864 CA GLN A 55 16.286 9.168 -0.667 1.00 0.00 C ATOM 865 C GLN A 55 15.591 10.390 -0.011 1.00 0.00 C ATOM 866 O GLN A 55 14.996 11.203 -0.700 1.00 0.00 O ATOM 867 CB GLN A 55 15.283 8.388 -1.531 1.00 0.00 C ATOM 868 CG GLN A 55 15.969 7.168 -2.176 1.00 0.00 C ATOM 869 CD GLN A 55 14.932 6.339 -2.935 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.864 5.931 -2.310 1.00 0.00 O flip ATOM 871 NE2 GLN A 55 15.090 6.067 -4.107 1.00 0.00 N flip ATOM 0 H GLN A 55 16.079 7.489 0.646 1.00 0.00 H new ATOM 0 HA GLN A 55 17.117 9.554 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.443 8.060 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.878 9.038 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.755 7.497 -2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.446 6.558 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.926 6.386 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.387 5.519 -4.603 1.00 0.00 H new ATOM 880 N ALA A 56 15.666 10.529 1.311 1.00 0.00 N ATOM 881 CA ALA A 56 15.017 11.694 2.007 1.00 0.00 C ATOM 882 C ALA A 56 15.734 13.007 1.678 1.00 0.00 C ATOM 883 O ALA A 56 16.900 13.006 1.314 1.00 0.00 O ATOM 884 CB ALA A 56 15.138 11.420 3.508 1.00 0.00 C ATOM 0 H ALA A 56 16.152 9.880 1.930 1.00 0.00 H new ATOM 0 HA ALA A 56 13.980 11.796 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.681 12.238 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.629 10.487 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.191 11.340 3.779 1.00 0.00 H new ATOM 1014 N ASN B 6 0.278 -5.467 -9.284 1.00 0.00 N ATOM 1015 CA ASN B 6 1.116 -4.722 -8.277 1.00 0.00 C ATOM 1016 C ASN B 6 1.096 -3.221 -8.590 1.00 0.00 C ATOM 1017 O ASN B 6 1.009 -2.394 -7.698 1.00 0.00 O ATOM 1018 CB ASN B 6 2.543 -5.284 -8.404 1.00 0.00 C ATOM 1019 CG ASN B 6 2.545 -6.823 -8.290 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.822 -7.387 -7.501 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.329 -7.528 -9.063 1.00 0.00 N ATOM 0 HA ASN B 6 0.736 -4.849 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.971 -4.986 -9.361 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.176 -4.858 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.328 -8.546 -8.998 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.942 -7.060 -9.731 1.00 0.00 H new ATOM 1028 N LYS B 7 1.137 -2.877 -9.861 1.00 0.00 N ATOM 1029 CA LYS B 7 1.076 -1.432 -10.276 1.00 0.00 C ATOM 1030 C LYS B 7 -0.231 -0.813 -9.788 1.00 0.00 C ATOM 1031 O LYS B 7 -0.274 0.337 -9.385 1.00 0.00 O ATOM 1032 CB LYS B 7 1.118 -1.426 -11.814 1.00 0.00 C ATOM 1033 CG LYS B 7 2.092 -0.349 -12.314 1.00 0.00 C ATOM 1034 CD LYS B 7 1.614 1.045 -11.881 1.00 0.00 C ATOM 1035 CE LYS B 7 2.584 2.110 -12.414 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.914 2.976 -11.240 1.00 0.00 N ATOM 0 H LYS B 7 1.211 -3.539 -10.633 1.00 0.00 H new ATOM 0 HA LYS B 7 1.900 -0.856 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.427 -2.405 -12.180 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.121 -1.238 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.089 -0.538 -11.917 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.168 -0.394 -13.400 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.609 1.231 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.559 1.100 -10.794 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.482 1.651 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.126 2.692 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 3.310 3.878 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.050 3.160 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.611 2.494 -10.638 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.288 -1.592 -9.802 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.611 -1.102 -9.322 1.00 0.00 C ATOM 1052 C GLU B 8 -2.550 -0.762 -7.839 1.00 0.00 C ATOM 1053 O GLU B 8 -3.169 0.179 -7.417 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.607 -2.238 -9.581 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.585 -1.826 -10.686 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.952 -2.487 -10.449 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.020 -3.709 -10.471 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -6.910 -1.758 -10.248 1.00 0.00 O ATOM 0 H GLU B 8 -1.285 -2.558 -10.131 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.910 -0.192 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.074 -3.143 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.153 -2.471 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.694 -0.742 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.193 -2.121 -11.659 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.789 -1.491 -7.054 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.684 -1.151 -5.591 1.00 0.00 C ATOM 1067 C LEU B 9 -0.894 0.143 -5.407 1.00 0.00 C ATOM 1068 O LEU B 9 -1.145 0.894 -4.488 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.943 -2.263 -4.860 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.471 -3.651 -5.219 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.463 -4.701 -4.706 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.845 -3.825 -4.535 1.00 0.00 C ATOM 0 H LEU B 9 -1.241 -2.297 -7.355 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.691 -1.034 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.119 -2.208 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.034 -2.110 -3.785 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.587 -3.774 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.822 -5.700 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.506 -4.536 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.360 -4.609 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.248 -4.809 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.728 -3.733 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.530 -3.056 -4.893 1.00 0.00 H new ATOM 1084 N SER B 10 0.045 0.412 -6.286 1.00 0.00 N ATOM 1085 CA SER B 10 0.829 1.673 -6.179 1.00 0.00 C ATOM 1086 C SER B 10 -0.124 2.859 -6.406 1.00 0.00 C ATOM 1087 O SER B 10 -0.109 3.821 -5.664 1.00 0.00 O ATOM 1088 CB SER B 10 1.888 1.586 -7.272 1.00 0.00 C ATOM 1089 OG SER B 10 2.718 2.739 -7.213 1.00 0.00 O ATOM 0 H SER B 10 0.297 -0.190 -7.070 1.00 0.00 H new ATOM 0 HA SER B 10 1.298 1.811 -5.205 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.488 0.685 -7.143 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.413 1.515 -8.250 1.00 0.00 H new ATOM 0 HG SER B 10 2.348 3.438 -7.791 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.978 2.761 -7.414 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.965 3.859 -7.708 1.00 0.00 C ATOM 1097 C VAL B 11 -3.169 3.772 -6.745 1.00 0.00 C ATOM 1098 O VAL B 11 -3.529 4.745 -6.109 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.413 3.624 -9.168 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.291 4.788 -9.636 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.188 3.508 -10.092 1.00 0.00 C ATOM 0 H VAL B 11 -1.030 1.962 -8.046 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.528 4.849 -7.575 1.00 0.00 H new ATOM 0 HB VAL B 11 -2.982 2.695 -9.211 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.604 4.617 -10.666 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.171 4.860 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.724 5.717 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.520 3.343 -11.117 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.607 4.429 -10.043 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.569 2.670 -9.772 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.782 2.605 -6.646 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.969 2.412 -5.741 1.00 0.00 C ATOM 1113 C ALA B 12 -4.581 2.559 -4.279 1.00 0.00 C ATOM 1114 O ALA B 12 -5.166 3.337 -3.555 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.465 0.977 -6.002 1.00 0.00 C ATOM 0 H ALA B 12 -3.504 1.770 -7.162 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.734 3.161 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.331 0.771 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.746 0.874 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.670 0.269 -5.768 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.605 1.807 -3.862 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.143 1.824 -2.453 1.00 0.00 C ATOM 1123 C GLY B 13 -2.655 3.194 -2.040 1.00 0.00 C ATOM 1124 O GLY B 13 -3.098 3.710 -1.035 1.00 0.00 O ATOM 0 H GLY B 13 -3.093 1.160 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.959 1.516 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.340 1.098 -2.325 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.730 3.774 -2.778 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.195 5.110 -2.360 1.00 0.00 C ATOM 1130 C ARG B 14 -2.296 6.178 -2.322 1.00 0.00 C ATOM 1131 O ARG B 14 -2.299 7.001 -1.437 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.093 5.496 -3.342 1.00 0.00 C ATOM 1133 CG ARG B 14 0.725 6.639 -2.732 1.00 0.00 C ATOM 1134 CD ARG B 14 1.478 6.137 -1.498 1.00 0.00 C ATOM 1135 NE ARG B 14 2.877 6.641 -1.641 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.294 7.671 -0.943 1.00 0.00 C ATOM 1137 NH1 ARG B 14 4.283 7.520 -0.094 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.732 8.847 -1.096 1.00 0.00 N ATOM 0 H ARG B 14 -1.331 3.387 -3.634 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.798 5.045 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.548 4.639 -3.547 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.525 5.806 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.430 7.026 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.067 7.463 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.020 6.510 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.458 5.049 -1.444 1.00 0.00 H new ATOM 0 HE ARG B 14 3.515 6.179 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.722 6.607 0.020 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.612 8.316 0.452 1.00 0.00 H new ATOM 0 HH21 ARG B 14 1.967 8.964 -1.760 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.060 9.644 -0.551 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.239 6.164 -3.245 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.345 7.184 -3.184 1.00 0.00 C ATOM 1154 C GLU B 15 -5.212 6.905 -1.940 1.00 0.00 C ATOM 1155 O GLU B 15 -5.557 7.818 -1.216 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.136 7.039 -4.479 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.358 7.665 -5.650 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.134 9.164 -5.403 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.115 9.890 -5.321 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -2.985 9.562 -5.309 1.00 0.00 O ATOM 0 H GLU B 15 -3.291 5.505 -4.022 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.974 8.205 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.326 5.985 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.107 7.524 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.398 7.162 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -4.909 7.521 -6.579 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.478 5.634 -1.650 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.232 5.236 -0.398 1.00 0.00 C ATOM 1169 C ILE B 16 -5.374 5.649 0.837 1.00 0.00 C ATOM 1170 O ILE B 16 -5.893 5.970 1.891 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.409 3.692 -0.508 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.368 3.371 -1.670 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.992 3.112 0.787 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.168 1.936 -2.163 1.00 0.00 C ATOM 0 H ILE B 16 -5.199 4.849 -2.238 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.204 5.718 -0.289 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.430 3.246 -0.685 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.399 3.507 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.198 4.069 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.105 2.033 0.684 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.320 3.328 1.617 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.965 3.562 0.981 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.857 1.734 -2.983 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.143 1.810 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.362 1.240 -1.347 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.060 5.680 0.667 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.111 6.118 1.750 1.00 0.00 C ATOM 1188 C VAL B 17 -3.108 7.664 1.854 1.00 0.00 C ATOM 1189 O VAL B 17 -2.912 8.215 2.925 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.704 5.643 1.273 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.579 6.326 2.056 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.549 4.134 1.415 1.00 0.00 C ATOM 0 H VAL B 17 -3.600 5.412 -0.203 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.388 5.710 2.722 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.628 5.920 0.222 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.385 5.969 1.694 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.642 7.405 1.916 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.679 6.091 3.116 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.557 3.836 1.074 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.673 3.852 2.461 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.306 3.632 0.812 1.00 0.00 H new ATOM 1202 N THR B 18 -3.237 8.355 0.726 1.00 0.00 N ATOM 1203 CA THR B 18 -3.141 9.853 0.715 1.00 0.00 C ATOM 1204 C THR B 18 -4.459 10.604 0.928 1.00 0.00 C ATOM 1205 O THR B 18 -4.390 11.767 1.296 1.00 0.00 O ATOM 1206 CB THR B 18 -2.546 10.239 -0.656 1.00 0.00 C ATOM 1207 OG1 THR B 18 -3.386 9.763 -1.701 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.141 9.647 -0.808 1.00 0.00 C ATOM 0 H THR B 18 -3.405 7.934 -0.188 1.00 0.00 H new ATOM 0 HA THR B 18 -2.524 10.148 1.564 1.00 0.00 H new ATOM 0 HB THR B 18 -2.480 11.325 -0.717 1.00 0.00 H new ATOM 0 HG1 THR B 18 -4.132 9.257 -1.316 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.732 9.926 -1.779 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.496 10.032 -0.018 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.194 8.561 -0.735 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.652 10.031 0.721 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.858 10.893 0.968 1.00 0.00 C ATOM 1218 C LEU B 19 -6.987 11.131 2.496 1.00 0.00 C ATOM 1219 O LEU B 19 -7.005 10.198 3.279 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.101 10.317 0.208 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.751 9.036 0.761 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -7.757 7.895 0.962 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -9.470 9.367 2.051 1.00 0.00 C ATOM 0 H LEU B 19 -5.823 9.073 0.414 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.764 11.892 0.543 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.865 11.094 0.178 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.803 10.123 -0.822 1.00 0.00 H new ATOM 0 HG LEU B 19 -9.462 8.675 0.018 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -8.279 7.022 1.354 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -7.294 7.643 0.008 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -6.987 8.204 1.668 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -9.934 8.465 2.451 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.756 9.759 2.775 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -10.239 10.115 1.857 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.923 12.413 2.866 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.883 12.825 4.303 1.00 0.00 C ATOM 1237 C PRO B 20 -8.258 12.900 4.975 1.00 0.00 C ATOM 1238 O PRO B 20 -8.336 12.842 6.193 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.258 14.218 4.247 1.00 0.00 C ATOM 1240 CG PRO B 20 -6.567 14.753 2.881 1.00 0.00 C ATOM 1241 CD PRO B 20 -6.896 13.589 1.980 1.00 0.00 C ATOM 0 HA PRO B 20 -6.334 12.095 4.898 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -6.672 14.863 5.022 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.182 14.170 4.413 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -7.406 15.447 2.926 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -5.715 15.308 2.489 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -7.857 13.732 1.486 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.148 13.474 1.195 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.333 13.035 4.222 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.695 13.116 4.867 1.00 0.00 C ATOM 1251 C ASN B 21 -10.993 11.836 5.662 1.00 0.00 C ATOM 1252 O ASN B 21 -11.692 11.879 6.662 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.687 13.286 3.723 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.934 14.770 3.424 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.052 15.597 3.562 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.111 15.141 3.006 1.00 0.00 N ATOM 0 H ASN B 21 -9.329 13.092 3.204 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.756 13.944 5.573 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.306 12.790 2.830 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.629 12.801 3.979 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.291 16.123 2.795 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.852 14.450 2.889 1.00 0.00 H new ATOM 1263 N LEU B 22 -10.453 10.706 5.238 1.00 0.00 N ATOM 1264 CA LEU B 22 -10.685 9.434 5.984 1.00 0.00 C ATOM 1265 C LEU B 22 -9.601 9.257 7.061 1.00 0.00 C ATOM 1266 O LEU B 22 -8.572 9.919 7.042 1.00 0.00 O ATOM 1267 CB LEU B 22 -10.736 8.326 4.904 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.743 7.170 5.132 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.490 5.855 4.927 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.594 7.258 4.118 1.00 0.00 C ATOM 0 H LEU B 22 -9.865 10.620 4.409 1.00 0.00 H new ATOM 0 HA LEU B 22 -11.619 9.410 6.545 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -11.746 7.919 4.866 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -10.536 8.774 3.931 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.331 7.228 6.140 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.807 5.020 5.083 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.312 5.789 5.639 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.885 5.815 3.912 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -7.897 6.437 4.286 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.995 7.192 3.107 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -8.073 8.208 4.240 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.854 8.395 8.019 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.865 8.201 9.148 1.00 0.00 C ATOM 1284 C ASN B 23 -7.849 7.074 8.864 1.00 0.00 C ATOM 1285 O ASN B 23 -8.043 6.244 7.991 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.704 7.921 10.416 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.641 6.716 10.228 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.233 5.684 9.752 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.893 6.812 10.586 1.00 0.00 N ATOM 0 H ASN B 23 -10.693 7.818 8.075 1.00 0.00 H new ATOM 0 HA ASN B 23 -8.252 9.093 9.273 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -9.038 7.735 11.259 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -10.293 8.804 10.664 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -12.521 6.018 10.463 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -12.243 7.681 10.989 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.744 7.079 9.601 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.654 6.059 9.407 1.00 0.00 C ATOM 1298 C ASP B 24 -6.098 4.583 9.626 1.00 0.00 C ATOM 1299 O ASP B 24 -5.607 3.730 8.911 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.483 6.461 10.338 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.870 6.379 11.821 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.422 7.346 12.324 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.595 5.359 12.430 1.00 0.00 O ATOM 0 H ASP B 24 -6.556 7.759 10.337 1.00 0.00 H new ATOM 0 HA ASP B 24 -5.349 6.072 8.360 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.630 5.809 10.150 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -4.165 7.477 10.102 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.998 4.284 10.577 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.419 2.864 10.765 1.00 0.00 C ATOM 1310 C PRO B 25 -8.207 2.351 9.539 1.00 0.00 C ATOM 1311 O PRO B 25 -8.060 1.203 9.150 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.282 2.895 12.027 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.774 4.296 12.121 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.697 5.171 11.533 1.00 0.00 C ATOM 0 HA PRO B 25 -6.574 2.182 10.865 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.110 2.190 11.957 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.703 2.620 12.908 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.710 4.415 11.576 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.972 4.569 13.158 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.119 6.043 11.033 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.020 5.542 12.302 1.00 0.00 H new ATOM 1322 N GLN B 26 -9.022 3.197 8.914 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.790 2.749 7.706 1.00 0.00 C ATOM 1324 C GLN B 26 -8.842 2.531 6.517 1.00 0.00 C ATOM 1325 O GLN B 26 -8.927 1.499 5.882 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.845 3.830 7.427 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.986 3.683 8.450 1.00 0.00 C ATOM 1328 CD GLN B 26 -13.183 4.552 8.051 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -14.302 4.082 8.027 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.007 5.805 7.735 1.00 0.00 N ATOM 0 H GLN B 26 -9.180 4.165 9.193 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.282 1.791 7.873 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.398 4.822 7.500 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.231 3.728 6.413 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.293 2.639 8.513 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.634 3.972 9.440 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.070 6.209 7.752 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.806 6.381 7.471 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.918 3.453 6.231 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.951 3.211 5.088 1.00 0.00 C ATOM 1341 C LYS B 27 -6.122 1.957 5.344 1.00 0.00 C ATOM 1342 O LYS B 27 -5.820 1.232 4.422 1.00 0.00 O ATOM 1343 CB LYS B 27 -6.004 4.414 4.925 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.474 4.976 6.249 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.785 6.324 5.981 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.844 7.430 5.825 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.369 8.574 6.663 1.00 0.00 N ATOM 0 H LYS B 27 -7.798 4.336 6.727 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.533 3.078 4.176 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -5.159 4.116 4.305 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.528 5.206 4.390 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.292 5.106 6.957 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.770 4.277 6.700 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.110 6.567 6.802 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.178 6.259 5.078 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.948 7.727 4.781 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.823 7.083 6.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.049 9.358 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.287 8.268 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.440 8.892 6.321 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.757 1.693 6.587 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.961 0.454 6.891 1.00 0.00 C ATOM 1363 C LYS B 28 -5.765 -0.771 6.429 1.00 0.00 C ATOM 1364 O LYS B 28 -5.328 -1.504 5.575 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.786 0.391 8.424 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.581 1.218 8.844 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.534 0.335 9.533 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.833 -0.537 8.485 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.487 -0.852 9.054 1.00 0.00 N ATOM 0 H LYS B 28 -5.975 2.278 7.394 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.995 0.469 6.387 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.684 0.765 8.916 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.656 -0.644 8.741 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.141 1.699 7.970 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.896 2.013 9.520 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.804 0.956 10.053 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.011 -0.294 10.285 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.399 -1.448 8.292 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.743 -0.011 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.245 -0.348 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.452 -0.552 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.316 -1.876 8.995 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.965 -0.962 6.964 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.829 -2.123 6.527 1.00 0.00 C ATOM 1385 C ALA B 29 -8.090 -2.046 5.009 1.00 0.00 C ATOM 1386 O ALA B 29 -8.196 -3.058 4.341 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.142 -1.973 7.305 1.00 0.00 C ATOM 0 H ALA B 29 -7.379 -0.365 7.681 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.353 -3.084 6.724 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.819 -2.784 7.037 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.937 -2.010 8.375 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.605 -1.018 7.057 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.168 -0.840 4.476 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.391 -0.635 3.005 1.00 0.00 C ATOM 1395 C PHE B 30 -7.207 -1.173 2.203 1.00 0.00 C ATOM 1396 O PHE B 30 -7.367 -1.995 1.326 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.466 0.888 2.830 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.783 1.284 2.260 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.975 1.221 0.887 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.809 1.721 3.103 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.199 1.599 0.346 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.033 2.096 2.562 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.229 2.037 1.185 1.00 0.00 C ATOM 0 H PHE B 30 -8.084 0.024 5.012 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.286 -1.150 2.657 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.318 1.378 3.792 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.663 1.224 2.174 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.178 0.880 0.242 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.651 1.767 4.170 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.354 1.554 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.830 2.432 3.208 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.179 2.330 0.763 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.021 -0.712 2.518 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.798 -1.189 1.811 1.00 0.00 C ATOM 1415 C ILE B 31 -4.620 -2.681 2.082 1.00 0.00 C ATOM 1416 O ILE B 31 -4.286 -3.442 1.198 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.648 -0.382 2.427 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.598 1.002 1.741 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.302 -1.133 2.272 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.168 1.425 1.500 1.00 0.00 C ATOM 0 H ILE B 31 -5.849 -0.017 3.244 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.845 -1.054 0.730 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.819 -0.252 3.496 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.136 0.964 0.794 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.101 1.741 2.364 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.502 -0.541 2.716 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.363 -2.097 2.777 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.093 -1.290 1.214 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.154 2.402 1.016 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.641 1.484 2.452 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.676 0.695 0.857 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.841 -3.090 3.315 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.696 -4.524 3.672 1.00 0.00 C ATOM 1434 C PHE B 32 -5.695 -5.365 2.838 1.00 0.00 C ATOM 1435 O PHE B 32 -5.342 -6.436 2.381 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.910 -4.597 5.203 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.582 -4.292 5.922 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.937 -3.018 5.798 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.948 -5.303 6.701 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.732 -2.794 6.435 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.733 -5.046 7.309 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.137 -3.808 7.183 1.00 0.00 C ATOM 0 H PHE B 32 -5.116 -2.481 4.085 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.717 -4.942 3.438 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.674 -3.882 5.509 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.269 -5.587 5.484 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.392 -2.236 5.208 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.416 -6.269 6.816 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.250 -1.831 6.353 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.248 -5.819 7.886 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.193 -3.622 7.673 1.00 0.00 H new ATOM 1452 N SER B 33 -6.902 -4.862 2.550 1.00 0.00 N ATOM 1453 CA SER B 33 -7.835 -5.644 1.654 1.00 0.00 C ATOM 1454 C SER B 33 -7.363 -5.490 0.182 1.00 0.00 C ATOM 1455 O SER B 33 -7.442 -6.424 -0.595 1.00 0.00 O ATOM 1456 CB SER B 33 -9.245 -5.069 1.873 1.00 0.00 C ATOM 1457 OG SER B 33 -9.349 -3.773 1.312 1.00 0.00 O ATOM 0 H SER B 33 -7.263 -3.971 2.890 1.00 0.00 H new ATOM 0 HA SER B 33 -7.840 -6.710 1.883 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.986 -5.727 1.420 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.465 -5.028 2.940 1.00 0.00 H new ATOM 0 HG SER B 33 -8.592 -3.226 1.609 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.819 -4.323 -0.173 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.264 -4.083 -1.562 1.00 0.00 C ATOM 1465 C LEU B 34 -5.112 -5.067 -1.824 1.00 0.00 C ATOM 1466 O LEU B 34 -5.004 -5.629 -2.900 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.777 -2.609 -1.530 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.927 -2.233 -2.743 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.813 -2.085 -3.984 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.232 -0.893 -2.471 1.00 0.00 C ATOM 0 H LEU B 34 -6.739 -3.522 0.453 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.989 -4.240 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.642 -1.948 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.197 -2.444 -0.622 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.190 -3.017 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.196 -1.817 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.321 -3.029 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.553 -1.304 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.623 -0.617 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.983 -0.123 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.595 -0.985 -1.591 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.276 -5.288 -0.827 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.141 -6.250 -0.967 1.00 0.00 C ATOM 1484 C TRP B 35 -3.663 -7.694 -1.136 1.00 0.00 C ATOM 1485 O TRP B 35 -3.168 -8.434 -1.968 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.343 -6.141 0.328 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.105 -6.947 0.157 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.835 -8.123 0.763 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.012 -6.674 -0.719 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.377 -8.580 0.316 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.945 -7.713 -0.588 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.303 -5.626 -1.599 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.128 -7.712 -1.305 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.492 -5.626 -2.322 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.397 -6.659 -2.176 1.00 0.00 C ATOM 0 H TRP B 35 -4.339 -4.834 0.084 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.537 -6.019 -1.844 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.097 -5.101 0.541 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.927 -6.509 1.171 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.469 -8.621 1.481 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.805 -9.456 0.617 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.398 -4.813 -1.718 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.836 -8.520 -1.191 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.708 -4.814 -3.001 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.318 -6.650 -2.740 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.655 -8.090 -0.345 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.216 -9.483 -0.444 1.00 0.00 C ATOM 1508 C ASP B 36 -5.862 -9.696 -1.809 1.00 0.00 C ATOM 1509 O ASP B 36 -5.641 -10.715 -2.443 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.282 -9.613 0.664 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.631 -9.863 2.037 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.779 -10.737 2.134 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -6.009 -9.181 2.975 1.00 0.00 O ATOM 0 H ASP B 36 -5.095 -7.502 0.363 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.429 -10.228 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.882 -8.704 0.703 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.960 -10.432 0.426 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.655 -8.743 -2.269 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.310 -8.899 -3.592 1.00 0.00 C ATOM 1520 C ASP B 37 -7.288 -7.579 -4.384 1.00 0.00 C ATOM 1521 O ASP B 37 -8.192 -6.767 -4.249 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.761 -9.341 -3.306 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.777 -10.724 -2.642 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.628 -11.705 -3.354 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.940 -10.778 -1.434 1.00 0.00 O ATOM 0 H ASP B 37 -6.867 -7.874 -1.778 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.784 -9.633 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.249 -8.613 -2.657 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.329 -9.370 -4.236 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.276 -7.419 -5.230 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.194 -6.204 -6.091 1.00 0.00 C ATOM 1532 C PRO B 38 -7.282 -6.219 -7.193 1.00 0.00 C ATOM 1533 O PRO B 38 -7.404 -5.265 -7.935 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.806 -6.264 -6.692 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.439 -7.715 -6.660 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.130 -8.316 -5.462 1.00 0.00 C ATOM 0 HA PRO B 38 -6.363 -5.287 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.799 -5.876 -7.711 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.100 -5.664 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.754 -8.213 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.359 -7.838 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.455 -9.338 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.469 -8.353 -4.596 1.00 0.00 H new ATOM 1544 N SER B 39 -8.104 -7.263 -7.277 1.00 0.00 N ATOM 1545 CA SER B 39 -9.221 -7.271 -8.282 1.00 0.00 C ATOM 1546 C SER B 39 -10.150 -6.087 -7.949 1.00 0.00 C ATOM 1547 O SER B 39 -10.644 -5.400 -8.825 1.00 0.00 O ATOM 1548 CB SER B 39 -9.947 -8.600 -8.072 1.00 0.00 C ATOM 1549 OG SER B 39 -10.460 -9.062 -9.316 1.00 0.00 O ATOM 0 H SER B 39 -8.042 -8.098 -6.694 1.00 0.00 H new ATOM 0 HA SER B 39 -8.884 -7.174 -9.314 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.263 -9.338 -7.652 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.759 -8.474 -7.356 1.00 0.00 H new ATOM 0 HG SER B 39 -10.924 -9.915 -9.182 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.326 -5.826 -6.659 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.153 -4.658 -6.194 1.00 0.00 C ATOM 1557 C GLN B 40 -10.253 -3.409 -6.022 1.00 0.00 C ATOM 1558 O GLN B 40 -10.670 -2.454 -5.416 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.725 -5.025 -4.800 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.163 -6.494 -4.687 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.143 -6.875 -5.808 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.030 -6.119 -6.151 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.019 -8.039 -6.388 1.00 0.00 N ATOM 0 H GLN B 40 -9.924 -6.384 -5.906 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.940 -4.445 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.971 -4.819 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.578 -4.382 -4.585 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.287 -7.141 -4.732 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.633 -6.661 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.275 -8.675 -6.101 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.666 -8.312 -7.128 1.00 0.00 H new ATOM 1572 N SER B 41 -9.016 -3.424 -6.510 1.00 0.00 N ATOM 1573 CA SER B 41 -8.076 -2.255 -6.336 1.00 0.00 C ATOM 1574 C SER B 41 -8.660 -0.957 -6.908 1.00 0.00 C ATOM 1575 O SER B 41 -8.646 0.067 -6.243 1.00 0.00 O ATOM 1576 CB SER B 41 -6.824 -2.661 -7.088 1.00 0.00 C ATOM 1577 OG SER B 41 -5.886 -1.596 -7.109 1.00 0.00 O ATOM 0 H SER B 41 -8.619 -4.209 -7.027 1.00 0.00 H new ATOM 0 HA SER B 41 -7.886 -2.046 -5.283 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.378 -3.536 -6.616 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.082 -2.945 -8.108 1.00 0.00 H new ATOM 0 HG SER B 41 -5.820 -1.236 -8.018 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.201 -0.994 -8.118 1.00 0.00 N ATOM 1584 CA ALA B 42 -9.826 0.243 -8.704 1.00 0.00 C ATOM 1585 C ALA B 42 -11.011 0.653 -7.815 1.00 0.00 C ATOM 1586 O ALA B 42 -11.168 1.816 -7.470 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.301 -0.154 -10.109 1.00 0.00 C ATOM 0 H ALA B 42 -9.234 -1.820 -8.715 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.137 1.086 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -10.767 0.705 -10.592 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.448 -0.485 -10.702 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.026 -0.965 -10.033 1.00 0.00 H new ATOM 1593 N ASN B 43 -11.812 -0.318 -7.405 1.00 0.00 N ATOM 1594 CA ASN B 43 -12.958 -0.048 -6.494 1.00 0.00 C ATOM 1595 C ASN B 43 -12.454 0.437 -5.119 1.00 0.00 C ATOM 1596 O ASN B 43 -13.092 1.253 -4.497 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.699 -1.388 -6.352 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.012 -1.177 -5.592 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.994 -0.742 -6.160 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.069 -1.461 -4.318 1.00 0.00 N ATOM 0 H ASN B 43 -11.708 -1.296 -7.674 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.608 0.733 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.902 -1.808 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.073 -2.106 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -15.937 -1.317 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.246 -1.826 -3.840 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.312 -0.059 -4.654 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.759 0.366 -3.319 1.00 0.00 C ATOM 1609 C LEU B 44 -10.367 1.833 -3.356 1.00 0.00 C ATOM 1610 O LEU B 44 -10.750 2.605 -2.509 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.535 -0.521 -3.096 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.952 -1.747 -2.292 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.147 -2.968 -2.751 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.693 -1.456 -0.810 1.00 0.00 C ATOM 0 H LEU B 44 -10.742 -0.744 -5.150 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.487 0.258 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.110 -0.825 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.761 0.032 -2.565 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.009 -1.963 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.449 -3.841 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.334 -3.151 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.084 -2.782 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.984 -2.320 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.633 -1.251 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.277 -0.589 -0.502 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.631 2.206 -4.362 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.214 3.634 -4.544 1.00 0.00 C ATOM 1628 C LEU B 45 -10.457 4.538 -4.512 1.00 0.00 C ATOM 1629 O LEU B 45 -10.503 5.524 -3.794 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.536 3.670 -5.928 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.243 5.109 -6.366 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.728 5.917 -5.184 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.182 5.094 -7.469 1.00 0.00 C ATOM 0 H LEU B 45 -9.290 1.572 -5.085 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.543 3.988 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.607 3.101 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.180 3.187 -6.664 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.160 5.565 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.522 6.939 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.480 5.928 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.812 5.464 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -6.970 6.116 -7.784 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.269 4.635 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.550 4.521 -8.320 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.473 4.168 -5.260 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.742 4.955 -5.271 1.00 0.00 C ATOM 1647 C ALA B 46 -13.418 4.872 -3.892 1.00 0.00 C ATOM 1648 O ALA B 46 -13.841 5.868 -3.347 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.604 4.267 -6.323 1.00 0.00 C ATOM 0 H ALA B 46 -11.473 3.348 -5.866 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.583 6.011 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.562 4.780 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.096 4.299 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.771 3.229 -6.035 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.493 3.676 -3.329 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.112 3.467 -1.978 1.00 0.00 C ATOM 1657 C GLU B 47 -13.360 4.289 -0.911 1.00 0.00 C ATOM 1658 O GLU B 47 -13.951 4.757 0.038 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.961 1.960 -1.701 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.979 1.507 -0.646 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.763 0.022 -0.328 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -15.080 -0.801 -1.176 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.283 -0.270 0.755 1.00 0.00 O ATOM 0 H GLU B 47 -13.142 2.823 -3.764 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.154 3.787 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.108 1.397 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.950 1.747 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.869 2.103 0.260 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.993 1.667 -1.012 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.060 4.468 -1.084 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.237 5.268 -0.106 1.00 0.00 C ATOM 1672 C ALA B 48 -11.666 6.737 -0.167 1.00 0.00 C ATOM 1673 O ALA B 48 -11.991 7.338 0.843 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.780 5.105 -0.574 1.00 0.00 C ATOM 0 H ALA B 48 -11.532 4.089 -1.870 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.362 4.933 0.924 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.120 5.661 0.091 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.508 4.050 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.679 5.489 -1.589 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.693 7.298 -1.361 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.130 8.725 -1.545 1.00 0.00 C ATOM 1682 C LYS B 49 -13.609 8.870 -1.132 1.00 0.00 C ATOM 1683 O LYS B 49 -13.971 9.792 -0.430 1.00 0.00 O ATOM 1684 CB LYS B 49 -11.948 9.018 -3.043 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.461 8.909 -3.418 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.278 9.200 -4.911 1.00 0.00 C ATOM 1687 CE LYS B 49 -8.883 8.734 -5.360 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.232 9.925 -5.989 1.00 0.00 N ATOM 0 H LYS B 49 -11.428 6.821 -2.223 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.555 9.420 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.534 8.315 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.319 10.016 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.875 9.613 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.090 7.911 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.047 8.687 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.395 10.267 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.301 8.374 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -8.957 7.910 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.199 9.812 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.543 10.009 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.501 10.784 -5.467 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.455 7.937 -1.541 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.913 7.978 -1.154 1.00 0.00 C ATOM 1704 C LYS B 50 -16.058 7.862 0.374 1.00 0.00 C ATOM 1705 O LYS B 50 -16.858 8.556 0.972 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.566 6.781 -1.857 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.621 7.034 -3.367 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.211 5.807 -4.067 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.096 5.972 -5.588 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.337 4.610 -6.157 1.00 0.00 N ATOM 0 H LYS B 50 -14.194 7.146 -2.129 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.386 8.914 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -15.999 5.873 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.572 6.624 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.229 7.914 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.621 7.239 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -16.685 4.907 -3.749 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.256 5.682 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -17.828 6.688 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.111 6.346 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.273 4.651 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.622 3.950 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.284 4.281 -5.881 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.259 7.011 1.007 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.311 6.875 2.503 1.00 0.00 C ATOM 1726 C LEU B 51 -14.882 8.201 3.145 1.00 0.00 C ATOM 1727 O LEU B 51 -15.476 8.639 4.119 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.334 5.742 2.865 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.246 5.565 4.393 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.650 5.514 5.018 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.515 4.255 4.693 1.00 0.00 C ATOM 0 H LEU B 51 -14.577 6.409 0.546 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.313 6.644 2.864 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.663 4.810 2.405 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.346 5.965 2.462 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.708 6.412 4.819 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.563 5.389 6.097 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.178 6.442 4.802 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.205 4.675 4.599 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.445 4.116 5.772 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.066 3.423 4.255 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.513 4.292 4.266 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.879 8.856 2.581 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.430 10.179 3.120 1.00 0.00 C ATOM 1745 C ASN B 52 -14.614 11.164 3.051 1.00 0.00 C ATOM 1746 O ASN B 52 -14.809 11.972 3.940 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.218 10.597 2.224 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.502 11.734 1.189 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.263 12.653 1.411 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.853 11.742 0.067 1.00 0.00 N ATOM 0 H ASN B 52 -13.357 8.524 1.770 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.117 10.155 4.164 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.403 10.917 2.873 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.869 9.717 1.683 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.990 12.505 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.205 10.986 -0.153 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.392 11.085 1.975 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.562 11.993 1.783 1.00 0.00 C ATOM 1759 C ASP B 53 -17.647 11.747 2.849 1.00 0.00 C ATOM 1760 O ASP B 53 -18.329 12.670 3.261 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.115 11.659 0.392 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.079 12.763 -0.064 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.605 13.750 -0.603 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.271 12.597 0.129 1.00 0.00 O ATOM 0 H ASP B 53 -15.251 10.415 1.219 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.264 13.037 1.875 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.296 11.561 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.632 10.700 0.417 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.814 10.506 3.281 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.861 10.176 4.307 1.00 0.00 C ATOM 1771 C ALA B 54 -18.571 10.881 5.645 1.00 0.00 C ATOM 1772 O ALA B 54 -19.482 11.307 6.334 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.783 8.654 4.466 1.00 0.00 C ATOM 0 H ALA B 54 -17.264 9.708 2.962 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.852 10.510 4.000 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.518 8.327 5.201 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.990 8.177 3.508 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.785 8.374 4.802 1.00 0.00 H new ATOM 1779 N GLN B 55 -17.310 11.012 6.002 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.928 11.696 7.283 1.00 0.00 C ATOM 1781 C GLN B 55 -16.759 13.205 7.053 1.00 0.00 C ATOM 1782 O GLN B 55 -17.112 14.009 7.900 1.00 0.00 O ATOM 1783 CB GLN B 55 -15.598 11.045 7.669 1.00 0.00 C ATOM 1784 CG GLN B 55 -15.853 9.606 8.133 1.00 0.00 C ATOM 1785 CD GLN B 55 -14.536 8.834 8.136 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -14.197 8.188 9.107 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -13.770 8.877 7.083 1.00 0.00 N ATOM 0 H GLN B 55 -16.522 10.670 5.453 1.00 0.00 H new ATOM 0 HA GLN B 55 -17.682 11.590 8.063 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.917 11.049 6.818 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -15.118 11.616 8.464 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -16.290 9.606 9.132 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -16.571 9.121 7.471 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -14.054 9.419 6.267 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.886 8.368 7.074 1.00 0.00 H new ATOM 1796 N ALA B 56 -16.210 13.587 5.914 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.988 15.034 5.600 1.00 0.00 C ATOM 1798 C ALA B 56 -16.231 15.296 4.102 1.00 0.00 C ATOM 1799 O ALA B 56 -15.902 14.463 3.287 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.517 15.257 5.936 1.00 0.00 C ATOM 0 H ALA B 56 -15.905 12.944 5.183 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.657 15.695 6.151 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.252 16.296 5.739 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.346 15.033 6.989 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.900 14.602 5.321 1.00 0.00 H new