USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=15 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= -2.9! C(o=-7.7!,f=-10!) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.8! C(o=-7.7!,f=-14!) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.7 K(o=-7,f=-18!) USER MOD Set 2.2: B 26 GLN : amide:sc= -4.27! C(o=-7!,f=-8.2!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -155:sc= -1.38! (180deg=-1.83!) USER MOD Set 3.2: B 6 ASN : amide:sc= -1.74 K(o=-3.1,f=-12!) USER MOD Set 4.1: A 32 GLN : amide:sc= -0.291 X(o=-0.23,f=-0.24) USER MOD Set 4.2: B 7 LYS NZ :NH3+ -138:sc= 0.0637 (180deg=0) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -0.747 USER MOD Set 5.2: A 18 HIS : no HD1:sc= -24! C(o=-25!,f=-22!) USER MOD Single : A 6 ASN : amide:sc=-0.00022 X(o=-0.00022,f=-0.00022) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= 0.0737 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.01! C(o=-2!,f=-3!) USER MOD Single : A 10 GLN : amide:sc= -2.48 K(o=-2.5,f=-9.5!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.845 K(o=-0.85,f=-1.4) USER MOD Single : A 23 ASN : amide:sc= 0.378 K(o=0.38,f=-11!) USER MOD Single : A 26 GLN : amide:sc= -1.04 K(o=-1,f=-4.8!) USER MOD Single : A 28 ASN : amide:sc= -6.63! C(o=-6.6!,f=-13!) USER MOD Single : A 33 SER OG : rot 19:sc= -0.282 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 41 SER OG : rot -97:sc= 0.618 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= -0.753 K(o=-0.75,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.5) USER MOD Single : B 10 SER OG : rot 78:sc= -1.13 USER MOD Single : B 18 THR OG1 : rot -70:sc= 0.369 USER MOD Single : B 27 LYS NZ :NH3+ 170:sc= 0.693 (180deg=0.635) USER MOD Single : B 28 LYS NZ :NH3+ -107:sc= 0.381 (180deg=-0.0858) USER MOD Single : B 33 SER OG : rot -32:sc= -0.178 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= -1.92 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 170:sc= -0.144 (180deg=-0.432) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 3.288 -14.162 6.695 1.00 0.00 N ATOM 68 CA PHE A 5 3.694 -13.456 5.432 1.00 0.00 C ATOM 69 C PHE A 5 2.535 -12.675 4.795 1.00 0.00 C ATOM 70 O PHE A 5 2.760 -11.617 4.244 1.00 0.00 O ATOM 71 CB PHE A 5 4.218 -14.544 4.482 1.00 0.00 C ATOM 72 CG PHE A 5 5.542 -15.062 5.010 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.687 -14.260 4.936 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.615 -16.333 5.594 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.904 -14.729 5.442 1.00 0.00 C ATOM 76 CE2 PHE A 5 6.831 -16.799 6.103 1.00 0.00 C ATOM 77 CZ PHE A 5 7.975 -15.997 6.026 1.00 0.00 C ATOM 0 HA PHE A 5 4.458 -12.708 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.497 -15.358 4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.345 -14.138 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.631 -13.279 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.732 -16.953 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.788 -14.112 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.887 -17.778 6.556 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.914 -16.358 6.418 1.00 0.00 H new ATOM 87 N ASN A 6 1.308 -13.168 4.864 1.00 0.00 N ATOM 88 CA ASN A 6 0.156 -12.410 4.247 1.00 0.00 C ATOM 89 C ASN A 6 0.043 -11.008 4.875 1.00 0.00 C ATOM 90 O ASN A 6 -0.007 -10.023 4.163 1.00 0.00 O ATOM 91 CB ASN A 6 -1.110 -13.233 4.541 1.00 0.00 C ATOM 92 CG ASN A 6 -1.073 -14.555 3.764 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.921 -15.610 4.347 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.210 -14.544 2.464 1.00 0.00 N ATOM 0 H ASN A 6 1.058 -14.049 5.314 1.00 0.00 H new ATOM 0 HA ASN A 6 0.298 -12.275 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.183 -13.433 5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.996 -12.663 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.189 -15.420 1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.338 -13.660 1.972 1.00 0.00 H new ATOM 101 N LYS A 7 0.044 -10.916 6.198 1.00 0.00 N ATOM 102 CA LYS A 7 -0.026 -9.574 6.880 1.00 0.00 C ATOM 103 C LYS A 7 1.332 -8.854 6.829 1.00 0.00 C ATOM 104 O LYS A 7 1.371 -7.648 6.842 1.00 0.00 O ATOM 105 CB LYS A 7 -0.482 -9.851 8.312 1.00 0.00 C ATOM 106 CG LYS A 7 -0.525 -8.567 9.134 1.00 0.00 C ATOM 107 CD LYS A 7 -1.780 -7.816 8.750 1.00 0.00 C ATOM 108 CE LYS A 7 -3.007 -8.441 9.430 1.00 0.00 C ATOM 109 NZ LYS A 7 -4.184 -7.677 8.918 1.00 0.00 N ATOM 0 H LYS A 7 0.090 -11.715 6.830 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.726 -8.905 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.470 -10.311 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.196 -10.564 8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.527 -8.795 10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.359 -7.959 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.689 -6.770 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.907 -7.836 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.092 -9.500 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.934 -8.367 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.881 -7.561 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.873 -6.741 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.618 -8.196 8.129 1.00 0.00 H new ATOM 123 N GLU A 8 2.434 -9.574 6.726 1.00 0.00 N ATOM 124 CA GLU A 8 3.779 -8.896 6.607 1.00 0.00 C ATOM 125 C GLU A 8 3.812 -8.189 5.264 1.00 0.00 C ATOM 126 O GLU A 8 4.150 -7.032 5.186 1.00 0.00 O ATOM 127 CB GLU A 8 4.871 -9.971 6.626 1.00 0.00 C ATOM 128 CG GLU A 8 5.255 -10.349 8.058 1.00 0.00 C ATOM 129 CD GLU A 8 5.721 -9.107 8.838 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.691 -8.489 8.421 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.105 -8.802 9.846 1.00 0.00 O ATOM 0 H GLU A 8 2.462 -10.594 6.719 1.00 0.00 H new ATOM 0 HA GLU A 8 3.939 -8.192 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.522 -10.857 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.751 -9.608 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.401 -10.803 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.050 -11.095 8.043 1.00 0.00 H new ATOM 138 N GLN A 9 3.391 -8.881 4.218 1.00 0.00 N ATOM 139 CA GLN A 9 3.304 -8.251 2.872 1.00 0.00 C ATOM 140 C GLN A 9 2.266 -7.124 2.954 1.00 0.00 C ATOM 141 O GLN A 9 2.452 -6.074 2.405 1.00 0.00 O ATOM 142 CB GLN A 9 2.808 -9.328 1.909 1.00 0.00 C ATOM 143 CG GLN A 9 3.850 -10.421 1.679 1.00 0.00 C ATOM 144 CD GLN A 9 3.200 -11.547 0.875 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.689 -12.494 1.437 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.186 -11.483 -0.433 1.00 0.00 N ATOM 0 H GLN A 9 3.105 -9.860 4.252 1.00 0.00 H new ATOM 0 HA GLN A 9 4.262 -7.851 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.896 -9.775 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.549 -8.869 0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.709 -10.019 1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.219 -10.800 2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.614 -10.689 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.747 -12.227 -0.975 1.00 0.00 H new ATOM 155 N GLN A 10 1.189 -7.355 3.686 1.00 0.00 N ATOM 156 CA GLN A 10 0.124 -6.314 3.884 1.00 0.00 C ATOM 157 C GLN A 10 0.716 -5.102 4.622 1.00 0.00 C ATOM 158 O GLN A 10 0.487 -3.969 4.241 1.00 0.00 O ATOM 159 CB GLN A 10 -0.934 -7.011 4.748 1.00 0.00 C ATOM 160 CG GLN A 10 -2.320 -6.849 4.122 1.00 0.00 C ATOM 161 CD GLN A 10 -2.851 -8.190 3.590 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.314 -8.270 2.475 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.841 -9.251 4.357 1.00 0.00 N ATOM 0 H GLN A 10 1.005 -8.239 4.161 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.291 -5.945 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.693 -8.070 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.929 -6.588 5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.012 -6.449 4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.272 -6.126 3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.453 -9.196 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.221 -10.133 4.013 1.00 0.00 H new ATOM 172 N ASN A 11 1.490 -5.350 5.661 1.00 0.00 N ATOM 173 CA ASN A 11 2.138 -4.245 6.440 1.00 0.00 C ATOM 174 C ASN A 11 3.242 -3.605 5.605 1.00 0.00 C ATOM 175 O ASN A 11 3.330 -2.403 5.530 1.00 0.00 O ATOM 176 CB ASN A 11 2.731 -4.907 7.694 1.00 0.00 C ATOM 177 CG ASN A 11 3.134 -3.824 8.701 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.288 -3.229 9.340 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.397 -3.530 8.863 1.00 0.00 N ATOM 0 H ASN A 11 1.701 -6.287 6.004 1.00 0.00 H new ATOM 0 HA ASN A 11 1.428 -3.461 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.001 -5.582 8.142 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.599 -5.509 7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.671 -2.803 9.524 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.109 -4.027 8.328 1.00 0.00 H new ATOM 186 N ALA A 12 4.066 -4.409 4.961 1.00 0.00 N ATOM 187 CA ALA A 12 5.153 -3.860 4.094 1.00 0.00 C ATOM 188 C ALA A 12 4.519 -3.093 2.938 1.00 0.00 C ATOM 189 O ALA A 12 4.943 -2.007 2.620 1.00 0.00 O ATOM 190 CB ALA A 12 5.932 -5.067 3.574 1.00 0.00 C ATOM 0 H ALA A 12 4.026 -5.427 5.003 1.00 0.00 H new ATOM 0 HA ALA A 12 5.812 -3.179 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.744 -4.727 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.345 -5.624 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.264 -5.713 3.004 1.00 0.00 H new ATOM 196 N PHE A 13 3.468 -3.641 2.351 1.00 0.00 N ATOM 197 CA PHE A 13 2.736 -2.942 1.246 1.00 0.00 C ATOM 198 C PHE A 13 2.233 -1.609 1.787 1.00 0.00 C ATOM 199 O PHE A 13 2.570 -0.563 1.271 1.00 0.00 O ATOM 200 CB PHE A 13 1.547 -3.869 0.888 1.00 0.00 C ATOM 201 CG PHE A 13 0.562 -3.162 0.000 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.991 -2.551 -1.174 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.792 -3.153 0.339 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.069 -1.930 -2.006 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.715 -2.539 -0.498 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.285 -1.929 -1.666 1.00 0.00 C ATOM 0 H PHE A 13 3.087 -4.554 2.599 1.00 0.00 H new ATOM 0 HA PHE A 13 3.355 -2.749 0.370 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.917 -4.764 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.049 -4.197 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.038 -2.560 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.122 -3.624 1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.399 -1.449 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.764 -2.537 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.002 -1.450 -2.317 1.00 0.00 H new ATOM 216 N TYR A 14 1.461 -1.666 2.854 1.00 0.00 N ATOM 217 CA TYR A 14 0.927 -0.431 3.490 1.00 0.00 C ATOM 218 C TYR A 14 2.062 0.550 3.816 1.00 0.00 C ATOM 219 O TYR A 14 2.005 1.697 3.448 1.00 0.00 O ATOM 220 CB TYR A 14 0.290 -0.902 4.782 1.00 0.00 C ATOM 221 CG TYR A 14 -0.345 0.276 5.453 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.603 0.711 5.043 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.315 0.926 6.504 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.197 1.769 5.663 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.284 2.014 7.129 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.545 2.445 6.709 1.00 0.00 C ATOM 227 OH TYR A 14 -2.158 3.528 7.324 1.00 0.00 O ATOM 0 H TYR A 14 1.180 -2.534 3.311 1.00 0.00 H new ATOM 0 HA TYR A 14 0.228 0.086 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.456 -1.670 4.579 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.040 -1.350 5.433 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.109 0.209 4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.286 0.583 6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.178 2.091 5.348 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.223 2.523 7.935 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.572 3.880 8.027 1.00 0.00 H new ATOM 237 N GLU A 15 3.090 0.088 4.499 1.00 0.00 N ATOM 238 CA GLU A 15 4.235 0.983 4.859 1.00 0.00 C ATOM 239 C GLU A 15 4.887 1.529 3.585 1.00 0.00 C ATOM 240 O GLU A 15 5.139 2.706 3.501 1.00 0.00 O ATOM 241 CB GLU A 15 5.212 0.116 5.652 1.00 0.00 C ATOM 242 CG GLU A 15 4.636 -0.208 7.041 1.00 0.00 C ATOM 243 CD GLU A 15 5.210 0.760 8.079 1.00 0.00 C ATOM 244 OE1 GLU A 15 6.333 0.539 8.513 1.00 0.00 O ATOM 245 OE2 GLU A 15 4.523 1.707 8.421 1.00 0.00 O ATOM 0 H GLU A 15 3.181 -0.875 4.822 1.00 0.00 H new ATOM 0 HA GLU A 15 3.916 1.843 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.411 -0.808 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.165 0.635 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.549 -0.131 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.878 -1.235 7.315 1.00 0.00 H new ATOM 252 N ILE A 16 5.104 0.697 2.574 1.00 0.00 N ATOM 253 CA ILE A 16 5.679 1.207 1.272 1.00 0.00 C ATOM 254 C ILE A 16 4.806 2.376 0.768 1.00 0.00 C ATOM 255 O ILE A 16 5.310 3.423 0.393 1.00 0.00 O ATOM 256 CB ILE A 16 5.669 -0.017 0.317 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.000 -0.761 0.500 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.509 0.396 -1.154 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.785 -2.261 0.380 1.00 0.00 C ATOM 0 H ILE A 16 4.909 -0.304 2.596 1.00 0.00 H new ATOM 0 HA ILE A 16 6.692 1.599 1.358 1.00 0.00 H new ATOM 0 HB ILE A 16 4.818 -0.651 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.717 -0.428 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.426 -0.524 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.508 -0.494 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.568 0.932 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.337 1.043 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.736 -2.777 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.084 -2.591 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.380 -2.493 -0.605 1.00 0.00 H new ATOM 271 N LEU A 17 3.501 2.203 0.806 1.00 0.00 N ATOM 272 CA LEU A 17 2.552 3.302 0.379 1.00 0.00 C ATOM 273 C LEU A 17 2.546 4.473 1.392 1.00 0.00 C ATOM 274 O LEU A 17 2.425 5.618 1.011 1.00 0.00 O ATOM 275 CB LEU A 17 1.147 2.678 0.352 1.00 0.00 C ATOM 276 CG LEU A 17 1.077 1.542 -0.669 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.360 0.355 -0.077 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.270 1.949 -1.868 1.00 0.00 C ATOM 0 H LEU A 17 3.045 1.344 1.116 1.00 0.00 H new ATOM 0 HA LEU A 17 2.858 3.698 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.893 2.299 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.410 3.442 0.104 1.00 0.00 H new ATOM 0 HG LEU A 17 2.103 1.301 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.316 -0.448 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.897 0.009 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.652 0.645 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.235 1.124 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.743 2.202 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.732 2.816 -2.340 1.00 0.00 H new ATOM 290 N HIS A 18 2.631 4.182 2.682 1.00 0.00 N ATOM 291 CA HIS A 18 2.578 5.264 3.735 1.00 0.00 C ATOM 292 C HIS A 18 3.968 5.843 4.103 1.00 0.00 C ATOM 293 O HIS A 18 4.041 6.739 4.930 1.00 0.00 O ATOM 294 CB HIS A 18 1.920 4.601 4.964 1.00 0.00 C ATOM 295 CG HIS A 18 0.433 4.428 4.726 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.507 5.351 5.166 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.290 3.464 4.069 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.716 4.913 4.757 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.629 3.795 4.080 1.00 0.00 N ATOM 0 H HIS A 18 2.735 3.236 3.050 1.00 0.00 H new ATOM 0 HA HIS A 18 2.017 6.121 3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.381 3.632 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.086 5.213 5.850 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.127 2.579 3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.645 5.424 4.963 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.394 3.276 3.649 1.00 0.00 H new ATOM 307 N LEU A 19 5.064 5.376 3.510 1.00 0.00 N ATOM 308 CA LEU A 19 6.415 5.958 3.859 1.00 0.00 C ATOM 309 C LEU A 19 6.478 7.411 3.338 1.00 0.00 C ATOM 310 O LEU A 19 6.163 7.658 2.184 1.00 0.00 O ATOM 311 CB LEU A 19 7.479 5.086 3.160 1.00 0.00 C ATOM 312 CG LEU A 19 7.867 3.875 4.036 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.689 2.894 3.194 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.701 4.317 5.251 1.00 0.00 C ATOM 0 H LEU A 19 5.078 4.631 2.813 1.00 0.00 H new ATOM 0 HA LEU A 19 6.587 5.968 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.095 4.737 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.365 5.686 2.950 1.00 0.00 H new ATOM 0 HG LEU A 19 6.955 3.400 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.968 2.035 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.095 2.558 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.590 3.390 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.961 3.445 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.613 4.806 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.121 5.014 5.856 1.00 0.00 H new ATOM 326 N PRO A 20 6.853 8.335 4.213 1.00 0.00 N ATOM 327 CA PRO A 20 6.916 9.787 3.842 1.00 0.00 C ATOM 328 C PRO A 20 7.953 10.118 2.742 1.00 0.00 C ATOM 329 O PRO A 20 7.887 11.194 2.170 1.00 0.00 O ATOM 330 CB PRO A 20 7.273 10.478 5.162 1.00 0.00 C ATOM 331 CG PRO A 20 7.941 9.421 5.972 1.00 0.00 C ATOM 332 CD PRO A 20 7.255 8.130 5.619 1.00 0.00 C ATOM 0 HA PRO A 20 5.974 10.119 3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.934 11.329 4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.383 10.858 5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.006 9.371 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.851 9.631 7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.924 7.276 5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.394 7.943 6.261 1.00 0.00 H new ATOM 340 N ASN A 21 8.899 9.242 2.430 1.00 0.00 N ATOM 341 CA ASN A 21 9.903 9.573 1.362 1.00 0.00 C ATOM 342 C ASN A 21 9.881 8.544 0.213 1.00 0.00 C ATOM 343 O ASN A 21 10.771 8.548 -0.626 1.00 0.00 O ATOM 344 CB ASN A 21 11.257 9.596 2.081 1.00 0.00 C ATOM 345 CG ASN A 21 11.312 10.793 3.042 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.267 11.930 2.615 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.399 10.586 4.328 1.00 0.00 N ATOM 0 H ASN A 21 9.013 8.327 2.866 1.00 0.00 H new ATOM 0 HA ASN A 21 9.683 10.528 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.403 8.667 2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.065 9.664 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.429 11.377 4.971 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.437 9.633 4.690 1.00 0.00 H new ATOM 354 N LEU A 22 8.862 7.698 0.130 1.00 0.00 N ATOM 355 CA LEU A 22 8.786 6.721 -1.003 1.00 0.00 C ATOM 356 C LEU A 22 7.945 7.322 -2.128 1.00 0.00 C ATOM 357 O LEU A 22 6.892 7.893 -1.896 1.00 0.00 O ATOM 358 CB LEU A 22 8.123 5.431 -0.468 1.00 0.00 C ATOM 359 CG LEU A 22 9.153 4.446 0.140 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.685 3.012 -0.103 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.533 4.600 -0.501 1.00 0.00 C ATOM 0 H LEU A 22 8.091 7.649 0.796 1.00 0.00 H new ATOM 0 HA LEU A 22 9.778 6.495 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.384 5.693 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.587 4.938 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 22 9.228 4.668 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.408 2.316 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.714 2.861 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.599 2.834 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.226 3.892 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.461 4.403 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.896 5.615 -0.343 1.00 0.00 H new ATOM 373 N ASN A 23 8.409 7.184 -3.345 1.00 0.00 N ATOM 374 CA ASN A 23 7.656 7.733 -4.519 1.00 0.00 C ATOM 375 C ASN A 23 7.067 6.604 -5.358 1.00 0.00 C ATOM 376 O ASN A 23 7.129 5.446 -4.993 1.00 0.00 O ATOM 377 CB ASN A 23 8.663 8.567 -5.344 1.00 0.00 C ATOM 378 CG ASN A 23 9.820 7.711 -5.914 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.079 6.613 -5.463 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.534 8.181 -6.901 1.00 0.00 N ATOM 0 H ASN A 23 9.282 6.712 -3.579 1.00 0.00 H new ATOM 0 HA ASN A 23 6.820 8.351 -4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.138 9.055 -6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.076 9.357 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.300 7.628 -7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.326 9.102 -7.288 1.00 0.00 H new ATOM 387 N GLU A 24 6.496 6.948 -6.481 1.00 0.00 N ATOM 388 CA GLU A 24 5.884 5.910 -7.381 1.00 0.00 C ATOM 389 C GLU A 24 6.959 4.930 -7.900 1.00 0.00 C ATOM 390 O GLU A 24 6.672 3.783 -8.146 1.00 0.00 O ATOM 391 CB GLU A 24 5.198 6.698 -8.530 1.00 0.00 C ATOM 392 CG GLU A 24 6.203 7.148 -9.615 1.00 0.00 C ATOM 393 CD GLU A 24 6.967 8.399 -9.157 1.00 0.00 C ATOM 394 OE1 GLU A 24 6.367 9.463 -9.133 1.00 0.00 O ATOM 395 OE2 GLU A 24 8.137 8.271 -8.836 1.00 0.00 O ATOM 0 H GLU A 24 6.424 7.907 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 24 5.157 5.291 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.429 6.075 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.696 7.573 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.906 6.342 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.674 7.358 -10.544 1.00 0.00 H new ATOM 402 N GLU A 25 8.194 5.361 -8.049 1.00 0.00 N ATOM 403 CA GLU A 25 9.258 4.422 -8.533 1.00 0.00 C ATOM 404 C GLU A 25 9.566 3.372 -7.447 1.00 0.00 C ATOM 405 O GLU A 25 9.516 2.180 -7.703 1.00 0.00 O ATOM 406 CB GLU A 25 10.483 5.307 -8.810 1.00 0.00 C ATOM 407 CG GLU A 25 11.621 4.466 -9.402 1.00 0.00 C ATOM 408 CD GLU A 25 12.883 5.326 -9.538 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.432 5.714 -8.516 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.284 5.577 -10.662 1.00 0.00 O ATOM 0 H GLU A 25 8.507 6.313 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 25 8.955 3.873 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.215 6.106 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.814 5.782 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.822 3.607 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.329 4.076 -10.377 1.00 0.00 H new ATOM 417 N GLN A 26 9.879 3.813 -6.242 1.00 0.00 N ATOM 418 CA GLN A 26 10.201 2.851 -5.131 1.00 0.00 C ATOM 419 C GLN A 26 8.946 2.143 -4.601 1.00 0.00 C ATOM 420 O GLN A 26 8.923 0.934 -4.507 1.00 0.00 O ATOM 421 CB GLN A 26 10.861 3.687 -4.017 1.00 0.00 C ATOM 422 CG GLN A 26 12.178 4.323 -4.512 1.00 0.00 C ATOM 423 CD GLN A 26 13.072 3.280 -5.211 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.274 2.191 -4.714 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.620 3.572 -6.358 1.00 0.00 N ATOM 0 H GLN A 26 9.925 4.798 -5.982 1.00 0.00 H new ATOM 0 HA GLN A 26 10.861 2.062 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.176 4.469 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.061 3.055 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.955 5.136 -5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.714 4.759 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.456 4.484 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.212 2.888 -6.829 1.00 0.00 H new ATOM 434 N ARG A 27 7.914 2.887 -4.242 1.00 0.00 N ATOM 435 CA ARG A 27 6.664 2.256 -3.684 1.00 0.00 C ATOM 436 C ARG A 27 6.011 1.256 -4.663 1.00 0.00 C ATOM 437 O ARG A 27 5.626 0.170 -4.267 1.00 0.00 O ATOM 438 CB ARG A 27 5.678 3.413 -3.451 1.00 0.00 C ATOM 439 CG ARG A 27 4.352 2.890 -2.889 1.00 0.00 C ATOM 440 CD ARG A 27 3.290 3.992 -2.968 1.00 0.00 C ATOM 441 NE ARG A 27 3.017 4.166 -4.430 1.00 0.00 N ATOM 442 CZ ARG A 27 3.081 5.351 -5.002 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.026 6.205 -4.675 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.196 5.677 -5.914 1.00 0.00 N ATOM 0 H ARG A 27 7.885 3.904 -4.312 1.00 0.00 H new ATOM 0 HA ARG A 27 6.913 1.701 -2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.113 4.134 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.499 3.939 -4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.026 2.016 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.484 2.572 -1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.386 3.708 -2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.649 4.919 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 27 2.777 3.351 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.720 5.953 -3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.065 7.120 -5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.465 5.015 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.239 6.593 -6.362 1.00 0.00 H new ATOM 458 N ASN A 28 5.844 1.631 -5.923 1.00 0.00 N ATOM 459 CA ASN A 28 5.162 0.710 -6.903 1.00 0.00 C ATOM 460 C ASN A 28 6.039 -0.505 -7.197 1.00 0.00 C ATOM 461 O ASN A 28 5.549 -1.620 -7.230 1.00 0.00 O ATOM 462 CB ASN A 28 4.914 1.515 -8.189 1.00 0.00 C ATOM 463 CG ASN A 28 4.093 2.791 -7.921 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.631 3.026 -6.825 1.00 0.00 O ATOM 465 ND2 ASN A 28 3.887 3.632 -8.897 1.00 0.00 N ATOM 0 H ASN A 28 6.148 2.525 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 28 4.222 0.342 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.870 1.786 -8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.389 0.891 -8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.341 4.478 -8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.272 3.443 -9.823 1.00 0.00 H new ATOM 472 N ALA A 29 7.338 -0.303 -7.371 1.00 0.00 N ATOM 473 CA ALA A 29 8.254 -1.468 -7.615 1.00 0.00 C ATOM 474 C ALA A 29 8.206 -2.404 -6.410 1.00 0.00 C ATOM 475 O ALA A 29 8.238 -3.611 -6.553 1.00 0.00 O ATOM 476 CB ALA A 29 9.646 -0.884 -7.731 1.00 0.00 C ATOM 0 H ALA A 29 7.792 0.610 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 29 7.971 -2.027 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.363 -1.685 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.676 -0.178 -8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.902 -0.368 -6.806 1.00 0.00 H new ATOM 482 N PHE A 30 8.104 -1.833 -5.223 1.00 0.00 N ATOM 483 CA PHE A 30 8.014 -2.654 -3.981 1.00 0.00 C ATOM 484 C PHE A 30 6.776 -3.502 -4.010 1.00 0.00 C ATOM 485 O PHE A 30 6.829 -4.657 -3.699 1.00 0.00 O ATOM 486 CB PHE A 30 7.941 -1.661 -2.829 1.00 0.00 C ATOM 487 CG PHE A 30 9.336 -1.221 -2.448 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.445 -2.047 -2.709 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.520 0.000 -1.808 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.706 -1.657 -2.326 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.797 0.394 -1.434 1.00 0.00 C ATOM 492 CZ PHE A 30 11.889 -0.447 -1.693 1.00 0.00 C ATOM 0 H PHE A 30 8.080 -0.825 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 30 8.868 -3.324 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.343 -0.797 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.447 -2.119 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.305 -2.992 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.673 0.638 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.553 -2.298 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.949 1.345 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.881 -0.144 -1.394 1.00 0.00 H new ATOM 502 N ILE A 31 5.676 -2.939 -4.421 1.00 0.00 N ATOM 503 CA ILE A 31 4.422 -3.729 -4.519 1.00 0.00 C ATOM 504 C ILE A 31 4.603 -4.845 -5.571 1.00 0.00 C ATOM 505 O ILE A 31 4.029 -5.907 -5.432 1.00 0.00 O ATOM 506 CB ILE A 31 3.343 -2.698 -4.862 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.195 -1.775 -3.651 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.033 -3.403 -5.126 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.503 -0.487 -4.050 1.00 0.00 C ATOM 0 H ILE A 31 5.593 -1.960 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 31 4.142 -4.254 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 31 3.617 -2.131 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.622 -2.277 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.177 -1.553 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.267 -2.667 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.153 -4.093 -5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.733 -3.958 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.405 0.159 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.092 0.021 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.513 -0.713 -4.446 1.00 0.00 H new ATOM 521 N GLN A 32 5.449 -4.640 -6.581 1.00 0.00 N ATOM 522 CA GLN A 32 5.706 -5.736 -7.575 1.00 0.00 C ATOM 523 C GLN A 32 6.586 -6.829 -6.920 1.00 0.00 C ATOM 524 O GLN A 32 6.290 -8.002 -7.026 1.00 0.00 O ATOM 525 CB GLN A 32 6.414 -5.077 -8.769 1.00 0.00 C ATOM 526 CG GLN A 32 5.431 -4.143 -9.493 1.00 0.00 C ATOM 527 CD GLN A 32 6.030 -3.666 -10.822 1.00 0.00 C ATOM 528 OE1 GLN A 32 5.361 -3.674 -11.836 1.00 0.00 O ATOM 529 NE2 GLN A 32 7.268 -3.245 -10.866 1.00 0.00 N ATOM 0 H GLN A 32 5.959 -3.772 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 32 4.787 -6.221 -7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.282 -4.514 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.780 -5.840 -9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.491 -4.664 -9.676 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.202 -3.285 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.834 -3.236 -10.018 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.667 -2.926 -11.749 1.00 0.00 H new ATOM 538 N SER A 33 7.640 -6.435 -6.210 1.00 0.00 N ATOM 539 CA SER A 33 8.538 -7.429 -5.493 1.00 0.00 C ATOM 540 C SER A 33 7.851 -8.016 -4.237 1.00 0.00 C ATOM 541 O SER A 33 8.146 -9.121 -3.822 1.00 0.00 O ATOM 542 CB SER A 33 9.800 -6.636 -5.103 1.00 0.00 C ATOM 543 OG SER A 33 9.446 -5.383 -4.520 1.00 0.00 O ATOM 0 H SER A 33 7.917 -5.460 -6.097 1.00 0.00 H new ATOM 0 HA SER A 33 8.771 -8.280 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.397 -7.215 -4.398 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.419 -6.471 -5.985 1.00 0.00 H new ATOM 0 HG SER A 33 8.513 -5.412 -4.223 1.00 0.00 H new ATOM 549 N LEU A 34 6.955 -7.266 -3.635 1.00 0.00 N ATOM 550 CA LEU A 34 6.229 -7.711 -2.396 1.00 0.00 C ATOM 551 C LEU A 34 5.117 -8.716 -2.744 1.00 0.00 C ATOM 552 O LEU A 34 5.022 -9.767 -2.133 1.00 0.00 O ATOM 553 CB LEU A 34 5.673 -6.392 -1.831 1.00 0.00 C ATOM 554 CG LEU A 34 4.972 -6.590 -0.493 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.985 -6.871 0.596 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.228 -5.309 -0.144 1.00 0.00 C ATOM 0 H LEU A 34 6.689 -6.337 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 34 6.860 -8.236 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.488 -5.678 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.973 -5.959 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 34 4.285 -7.433 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.469 -7.010 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.542 -7.775 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.674 -6.031 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.719 -5.433 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.937 -4.484 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.494 -5.092 -0.920 1.00 0.00 H new ATOM 568 N LYS A 35 4.296 -8.412 -3.736 1.00 0.00 N ATOM 569 CA LYS A 35 3.203 -9.362 -4.151 1.00 0.00 C ATOM 570 C LYS A 35 3.825 -10.588 -4.852 1.00 0.00 C ATOM 571 O LYS A 35 3.318 -11.688 -4.726 1.00 0.00 O ATOM 572 CB LYS A 35 2.259 -8.557 -5.076 1.00 0.00 C ATOM 573 CG LYS A 35 0.995 -8.179 -4.305 1.00 0.00 C ATOM 574 CD LYS A 35 -0.225 -8.827 -4.954 1.00 0.00 C ATOM 575 CE LYS A 35 -1.409 -7.865 -4.858 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.605 -7.331 -6.243 1.00 0.00 N ATOM 0 H LYS A 35 4.338 -7.547 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 35 2.637 -9.751 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.762 -7.659 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.000 -9.149 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.081 -8.503 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.878 -7.095 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.016 -9.063 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.462 -9.767 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.304 -8.378 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.204 -7.060 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.072 -6.403 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.681 -7.229 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.198 -7.989 -6.788 1.00 0.00 H new ATOM 590 N ASP A 36 4.940 -10.410 -5.551 1.00 0.00 N ATOM 591 CA ASP A 36 5.623 -11.572 -6.216 1.00 0.00 C ATOM 592 C ASP A 36 6.373 -12.431 -5.171 1.00 0.00 C ATOM 593 O ASP A 36 6.301 -13.647 -5.208 1.00 0.00 O ATOM 594 CB ASP A 36 6.611 -10.950 -7.216 1.00 0.00 C ATOM 595 CG ASP A 36 7.263 -12.046 -8.064 1.00 0.00 C ATOM 596 OD1 ASP A 36 6.667 -12.439 -9.054 1.00 0.00 O ATOM 597 OD2 ASP A 36 8.350 -12.474 -7.709 1.00 0.00 O ATOM 0 H ASP A 36 5.399 -9.509 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 36 4.910 -12.231 -6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.090 -10.242 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.377 -10.389 -6.681 1.00 0.00 H new ATOM 602 N ASP A 37 7.093 -11.804 -4.245 1.00 0.00 N ATOM 603 CA ASP A 37 7.853 -12.578 -3.203 1.00 0.00 C ATOM 604 C ASP A 37 7.309 -12.280 -1.787 1.00 0.00 C ATOM 605 O ASP A 37 7.578 -11.222 -1.235 1.00 0.00 O ATOM 606 CB ASP A 37 9.318 -12.119 -3.327 1.00 0.00 C ATOM 607 CG ASP A 37 10.249 -13.216 -2.791 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.220 -13.467 -1.594 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.973 -13.789 -3.586 1.00 0.00 O ATOM 0 H ASP A 37 7.181 -10.790 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 37 7.753 -13.653 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.555 -11.904 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.469 -11.195 -2.768 1.00 0.00 H new ATOM 614 N PRO A 38 6.561 -13.228 -1.243 1.00 0.00 N ATOM 615 CA PRO A 38 5.982 -13.069 0.127 1.00 0.00 C ATOM 616 C PRO A 38 7.070 -13.089 1.224 1.00 0.00 C ATOM 617 O PRO A 38 6.984 -12.348 2.186 1.00 0.00 O ATOM 618 CB PRO A 38 5.052 -14.278 0.257 1.00 0.00 C ATOM 619 CG PRO A 38 5.609 -15.292 -0.680 1.00 0.00 C ATOM 620 CD PRO A 38 6.175 -14.523 -1.836 1.00 0.00 C ATOM 0 HA PRO A 38 5.473 -12.113 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.033 -14.654 1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.027 -14.018 -0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.380 -15.889 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.834 -15.982 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.032 -15.034 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.439 -14.396 -2.630 1.00 0.00 H new ATOM 628 N SER A 39 8.077 -13.936 1.088 1.00 0.00 N ATOM 629 CA SER A 39 9.170 -14.020 2.128 1.00 0.00 C ATOM 630 C SER A 39 10.000 -12.726 2.197 1.00 0.00 C ATOM 631 O SER A 39 10.430 -12.332 3.267 1.00 0.00 O ATOM 632 CB SER A 39 10.053 -15.202 1.711 1.00 0.00 C ATOM 633 OG SER A 39 9.282 -16.398 1.717 1.00 0.00 O ATOM 0 H SER A 39 8.189 -14.574 0.300 1.00 0.00 H new ATOM 0 HA SER A 39 8.744 -14.156 3.122 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.466 -15.028 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.897 -15.298 2.394 1.00 0.00 H new ATOM 0 HG SER A 39 9.847 -17.153 1.449 1.00 0.00 H new ATOM 639 N GLN A 40 10.221 -12.060 1.076 1.00 0.00 N ATOM 640 CA GLN A 40 11.022 -10.787 1.095 1.00 0.00 C ATOM 641 C GLN A 40 10.158 -9.578 1.510 1.00 0.00 C ATOM 642 O GLN A 40 10.647 -8.472 1.506 1.00 0.00 O ATOM 643 CB GLN A 40 11.522 -10.589 -0.348 1.00 0.00 C ATOM 644 CG GLN A 40 12.903 -9.926 -0.327 1.00 0.00 C ATOM 645 CD GLN A 40 13.182 -9.264 -1.680 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.319 -9.936 -2.683 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.280 -7.963 -1.752 1.00 0.00 N ATOM 0 H GLN A 40 9.882 -12.344 0.157 1.00 0.00 H new ATOM 0 HA GLN A 40 11.836 -10.857 1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.577 -11.550 -0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.819 -9.970 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.947 -9.182 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.670 -10.669 -0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.166 -7.396 -0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.471 -7.515 -2.648 1.00 0.00 H new ATOM 656 N SER A 41 8.885 -9.765 1.835 1.00 0.00 N ATOM 657 CA SER A 41 8.008 -8.594 2.199 1.00 0.00 C ATOM 658 C SER A 41 8.569 -7.761 3.357 1.00 0.00 C ATOM 659 O SER A 41 8.640 -6.552 3.238 1.00 0.00 O ATOM 660 CB SER A 41 6.645 -9.192 2.565 1.00 0.00 C ATOM 661 OG SER A 41 6.750 -9.986 3.744 1.00 0.00 O ATOM 0 H SER A 41 8.423 -10.674 1.862 1.00 0.00 H new ATOM 0 HA SER A 41 7.943 -7.900 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.920 -8.393 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.275 -9.801 1.740 1.00 0.00 H new ATOM 0 HG SER A 41 6.848 -10.929 3.496 1.00 0.00 H new ATOM 667 N ALA A 42 8.986 -8.364 4.458 1.00 0.00 N ATOM 668 CA ALA A 42 9.569 -7.529 5.568 1.00 0.00 C ATOM 669 C ALA A 42 10.812 -6.807 5.051 1.00 0.00 C ATOM 670 O ALA A 42 10.968 -5.622 5.257 1.00 0.00 O ATOM 671 CB ALA A 42 9.992 -8.483 6.650 1.00 0.00 C ATOM 0 H ALA A 42 8.949 -9.368 4.632 1.00 0.00 H new ATOM 0 HA ALA A 42 8.846 -6.798 5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.423 -7.924 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.125 -9.043 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.735 -9.175 6.255 1.00 0.00 H new ATOM 677 N ASN A 43 11.672 -7.524 4.334 1.00 0.00 N ATOM 678 CA ASN A 43 12.891 -6.895 3.730 1.00 0.00 C ATOM 679 C ASN A 43 12.456 -5.768 2.812 1.00 0.00 C ATOM 680 O ASN A 43 13.100 -4.760 2.743 1.00 0.00 O ATOM 681 CB ASN A 43 13.553 -7.968 2.872 1.00 0.00 C ATOM 682 CG ASN A 43 14.854 -8.450 3.524 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.892 -8.456 2.893 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.847 -8.861 4.766 1.00 0.00 N ATOM 0 H ASN A 43 11.571 -8.522 4.147 1.00 0.00 H new ATOM 0 HA ASN A 43 13.561 -6.512 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.872 -8.809 2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.763 -7.570 1.879 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.711 -9.185 5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.978 -8.858 5.299 1.00 0.00 H new ATOM 691 N LEU A 44 11.351 -5.959 2.111 1.00 0.00 N ATOM 692 CA LEU A 44 10.826 -4.907 1.191 1.00 0.00 C ATOM 693 C LEU A 44 10.400 -3.709 1.969 1.00 0.00 C ATOM 694 O LEU A 44 10.698 -2.598 1.584 1.00 0.00 O ATOM 695 CB LEU A 44 9.662 -5.528 0.457 1.00 0.00 C ATOM 696 CG LEU A 44 10.247 -6.426 -0.601 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.129 -7.238 -1.217 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.959 -5.547 -1.631 1.00 0.00 C ATOM 0 H LEU A 44 10.792 -6.811 2.144 1.00 0.00 H new ATOM 0 HA LEU A 44 11.587 -4.570 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.032 -6.096 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.033 -4.759 0.008 1.00 0.00 H new ATOM 0 HG LEU A 44 10.975 -7.123 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.537 -7.894 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.648 -7.839 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.396 -6.567 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.392 -6.176 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.243 -4.858 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.750 -4.980 -1.141 1.00 0.00 H new ATOM 710 N LEU A 45 9.762 -3.907 3.094 1.00 0.00 N ATOM 711 CA LEU A 45 9.426 -2.724 3.910 1.00 0.00 C ATOM 712 C LEU A 45 10.736 -2.164 4.465 1.00 0.00 C ATOM 713 O LEU A 45 10.947 -0.988 4.432 1.00 0.00 O ATOM 714 CB LEU A 45 8.507 -3.182 5.015 1.00 0.00 C ATOM 715 CG LEU A 45 8.357 -2.061 6.044 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.054 -0.722 5.337 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.230 -2.435 6.993 1.00 0.00 C ATOM 0 H LEU A 45 9.471 -4.811 3.467 1.00 0.00 H new ATOM 0 HA LEU A 45 8.924 -1.944 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.532 -3.449 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.909 -4.077 5.491 1.00 0.00 H new ATOM 0 HG LEU A 45 9.284 -1.937 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.950 0.067 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.871 -0.475 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.127 -0.811 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.105 -1.648 7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.304 -2.553 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.472 -3.373 7.493 1.00 0.00 H new ATOM 729 N ALA A 46 11.625 -3.013 4.940 1.00 0.00 N ATOM 730 CA ALA A 46 12.953 -2.523 5.455 1.00 0.00 C ATOM 731 C ALA A 46 13.683 -1.736 4.367 1.00 0.00 C ATOM 732 O ALA A 46 14.183 -0.675 4.635 1.00 0.00 O ATOM 733 CB ALA A 46 13.767 -3.768 5.746 1.00 0.00 C ATOM 0 H ALA A 46 11.489 -4.022 4.993 1.00 0.00 H new ATOM 0 HA ALA A 46 12.818 -1.883 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.748 -3.481 6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.252 -4.373 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.887 -4.346 4.830 1.00 0.00 H new ATOM 739 N GLU A 47 13.727 -2.247 3.144 1.00 0.00 N ATOM 740 CA GLU A 47 14.403 -1.500 2.039 1.00 0.00 C ATOM 741 C GLU A 47 13.556 -0.274 1.696 1.00 0.00 C ATOM 742 O GLU A 47 14.096 0.778 1.437 1.00 0.00 O ATOM 743 CB GLU A 47 14.622 -2.458 0.852 1.00 0.00 C ATOM 744 CG GLU A 47 13.339 -3.037 0.314 1.00 0.00 C ATOM 745 CD GLU A 47 13.688 -4.217 -0.605 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.794 -5.324 -0.101 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.861 -3.995 -1.790 1.00 0.00 O ATOM 0 H GLU A 47 13.323 -3.144 2.875 1.00 0.00 H new ATOM 0 HA GLU A 47 15.388 -1.136 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.136 -1.924 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.277 -3.271 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.700 -3.370 1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.782 -2.279 -0.237 1.00 0.00 H new ATOM 754 N ALA A 48 12.229 -0.374 1.757 1.00 0.00 N ATOM 755 CA ALA A 48 11.388 0.827 1.525 1.00 0.00 C ATOM 756 C ALA A 48 11.622 1.850 2.652 1.00 0.00 C ATOM 757 O ALA A 48 11.684 3.040 2.407 1.00 0.00 O ATOM 758 CB ALA A 48 9.971 0.294 1.578 1.00 0.00 C ATOM 0 H ALA A 48 11.717 -1.233 1.956 1.00 0.00 H new ATOM 0 HA ALA A 48 11.609 1.333 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.268 1.112 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.836 -0.459 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.787 -0.155 2.554 1.00 0.00 H new ATOM 764 N LYS A 49 11.800 1.377 3.878 1.00 0.00 N ATOM 765 CA LYS A 49 12.088 2.279 5.031 1.00 0.00 C ATOM 766 C LYS A 49 13.536 2.765 4.905 1.00 0.00 C ATOM 767 O LYS A 49 13.850 3.910 5.165 1.00 0.00 O ATOM 768 CB LYS A 49 11.858 1.409 6.265 1.00 0.00 C ATOM 769 CG LYS A 49 10.456 1.723 6.783 1.00 0.00 C ATOM 770 CD LYS A 49 9.844 0.479 7.392 1.00 0.00 C ATOM 771 CE LYS A 49 10.299 0.364 8.835 1.00 0.00 C ATOM 772 NZ LYS A 49 9.390 -0.642 9.465 1.00 0.00 N ATOM 0 H LYS A 49 11.755 0.387 4.119 1.00 0.00 H new ATOM 0 HA LYS A 49 11.463 3.170 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.947 0.352 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.607 1.619 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.503 2.518 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.830 2.086 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.756 0.531 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.147 -0.404 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.339 0.043 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.233 1.325 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.651 -0.768 10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.407 -0.308 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.479 -1.550 8.967 1.00 0.00 H new ATOM 786 N LYS A 50 14.386 1.890 4.411 1.00 0.00 N ATOM 787 CA LYS A 50 15.813 2.228 4.123 1.00 0.00 C ATOM 788 C LYS A 50 15.809 3.339 3.056 1.00 0.00 C ATOM 789 O LYS A 50 16.571 4.285 3.128 1.00 0.00 O ATOM 790 CB LYS A 50 16.377 0.892 3.595 1.00 0.00 C ATOM 791 CG LYS A 50 17.611 1.062 2.700 1.00 0.00 C ATOM 792 CD LYS A 50 17.653 -0.115 1.705 1.00 0.00 C ATOM 793 CE LYS A 50 18.052 -1.413 2.432 1.00 0.00 C ATOM 794 NZ LYS A 50 19.546 -1.454 2.408 1.00 0.00 N ATOM 0 H LYS A 50 14.136 0.926 4.190 1.00 0.00 H new ATOM 0 HA LYS A 50 16.403 2.597 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.636 0.256 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.599 0.374 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.564 2.010 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.518 1.081 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.677 -0.238 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.366 0.098 0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.678 -1.418 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.629 -2.285 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.877 -2.315 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.877 -1.458 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.924 -0.618 2.897 1.00 0.00 H new ATOM 808 N LEU A 51 14.894 3.235 2.098 1.00 0.00 N ATOM 809 CA LEU A 51 14.745 4.282 1.041 1.00 0.00 C ATOM 810 C LEU A 51 14.142 5.543 1.653 1.00 0.00 C ATOM 811 O LEU A 51 14.489 6.640 1.286 1.00 0.00 O ATOM 812 CB LEU A 51 13.762 3.692 0.020 1.00 0.00 C ATOM 813 CG LEU A 51 14.482 3.128 -1.208 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.840 2.528 -0.839 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.616 2.035 -1.804 1.00 0.00 C ATOM 0 H LEU A 51 14.243 2.455 2.014 1.00 0.00 H new ATOM 0 HA LEU A 51 15.701 4.546 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.178 2.902 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.059 4.463 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 51 14.649 3.939 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.321 2.138 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.470 3.299 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.698 1.719 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.110 1.618 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.463 1.248 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.652 2.452 -2.094 1.00 0.00 H new ATOM 827 N ASN A 52 13.235 5.372 2.593 1.00 0.00 N ATOM 828 CA ASN A 52 12.582 6.532 3.264 1.00 0.00 C ATOM 829 C ASN A 52 13.644 7.432 3.921 1.00 0.00 C ATOM 830 O ASN A 52 13.586 8.639 3.814 1.00 0.00 O ATOM 831 CB ASN A 52 11.665 5.909 4.322 1.00 0.00 C ATOM 832 CG ASN A 52 10.778 6.986 4.936 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.847 7.441 4.314 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.038 7.418 6.139 1.00 0.00 N ATOM 0 H ASN A 52 12.920 4.460 2.923 1.00 0.00 H new ATOM 0 HA ASN A 52 12.028 7.160 2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.049 5.132 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.263 5.431 5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.455 8.142 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.825 7.031 6.661 1.00 0.00 H new ATOM 841 N ASP A 53 14.619 6.837 4.582 1.00 0.00 N ATOM 842 CA ASP A 53 15.711 7.640 5.240 1.00 0.00 C ATOM 843 C ASP A 53 16.774 8.071 4.211 1.00 0.00 C ATOM 844 O ASP A 53 17.275 9.181 4.265 1.00 0.00 O ATOM 845 CB ASP A 53 16.336 6.717 6.300 1.00 0.00 C ATOM 846 CG ASP A 53 15.280 6.287 7.335 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.670 7.157 7.941 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.105 5.093 7.506 1.00 0.00 O ATOM 0 H ASP A 53 14.705 5.827 4.694 1.00 0.00 H new ATOM 0 HA ASP A 53 15.314 8.553 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.761 5.836 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.155 7.232 6.801 1.00 0.00 H new ATOM 853 N ALA A 54 17.118 7.200 3.274 1.00 0.00 N ATOM 854 CA ALA A 54 18.147 7.548 2.227 1.00 0.00 C ATOM 855 C ALA A 54 17.604 8.642 1.288 1.00 0.00 C ATOM 856 O ALA A 54 18.297 9.594 0.974 1.00 0.00 O ATOM 857 CB ALA A 54 18.399 6.250 1.455 1.00 0.00 C ATOM 0 H ALA A 54 16.727 6.261 3.192 1.00 0.00 H new ATOM 0 HA ALA A 54 19.064 7.936 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.139 6.428 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.769 5.486 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.468 5.910 1.001 1.00 0.00 H new ATOM 863 N GLN A 55 16.359 8.516 0.869 1.00 0.00 N ATOM 864 CA GLN A 55 15.726 9.548 -0.025 1.00 0.00 C ATOM 865 C GLN A 55 15.135 10.715 0.810 1.00 0.00 C ATOM 866 O GLN A 55 14.594 11.654 0.252 1.00 0.00 O ATOM 867 CB GLN A 55 14.598 8.822 -0.773 1.00 0.00 C ATOM 868 CG GLN A 55 15.159 7.658 -1.612 1.00 0.00 C ATOM 869 CD GLN A 55 14.014 6.991 -2.380 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.073 6.851 -3.584 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.965 6.574 -1.725 1.00 0.00 N ATOM 0 H GLN A 55 15.750 7.734 1.111 1.00 0.00 H new ATOM 0 HA GLN A 55 16.460 9.978 -0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.867 8.442 -0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.075 9.525 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.913 8.026 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.650 6.931 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.916 6.692 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.195 6.130 -2.225 1.00 0.00 H new ATOM 880 N ALA A 56 15.227 10.658 2.138 1.00 0.00 N ATOM 881 CA ALA A 56 14.665 11.752 3.002 1.00 0.00 C ATOM 882 C ALA A 56 15.437 13.066 2.831 1.00 0.00 C ATOM 883 O ALA A 56 16.597 13.062 2.449 1.00 0.00 O ATOM 884 CB ALA A 56 14.808 11.277 4.451 1.00 0.00 C ATOM 0 H ALA A 56 15.670 9.895 2.651 1.00 0.00 H new ATOM 0 HA ALA A 56 13.629 11.945 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.413 12.038 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.252 10.349 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.861 11.105 4.675 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.340 -5.785 -9.008 1.00 0.00 N ATOM 1015 CA ASN B 6 0.679 -5.005 -8.202 1.00 0.00 C ATOM 1016 C ASN B 6 0.706 -3.546 -8.658 1.00 0.00 C ATOM 1017 O ASN B 6 0.699 -2.631 -7.851 1.00 0.00 O ATOM 1018 CB ASN B 6 2.048 -5.673 -8.439 1.00 0.00 C ATOM 1019 CG ASN B 6 2.011 -7.179 -8.099 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.049 -7.674 -7.547 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.027 -7.936 -8.418 1.00 0.00 N ATOM 0 HA ASN B 6 0.428 -5.012 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.343 -5.541 -9.480 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.805 -5.180 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.007 -8.933 -8.203 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.840 -7.530 -8.882 1.00 0.00 H new ATOM 1028 N LYS B 7 0.680 -3.333 -9.949 1.00 0.00 N ATOM 1029 CA LYS B 7 0.648 -1.938 -10.508 1.00 0.00 C ATOM 1030 C LYS B 7 -0.626 -1.222 -10.045 1.00 0.00 C ATOM 1031 O LYS B 7 -0.633 -0.024 -9.841 1.00 0.00 O ATOM 1032 CB LYS B 7 0.657 -2.102 -12.031 1.00 0.00 C ATOM 1033 CG LYS B 7 2.015 -2.650 -12.488 1.00 0.00 C ATOM 1034 CD LYS B 7 2.069 -2.691 -14.020 1.00 0.00 C ATOM 1035 CE LYS B 7 3.371 -3.367 -14.478 1.00 0.00 C ATOM 1036 NZ LYS B 7 4.419 -2.299 -14.453 1.00 0.00 N ATOM 0 H LYS B 7 0.679 -4.072 -10.652 1.00 0.00 H new ATOM 0 HA LYS B 7 1.494 -1.340 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -0.140 -2.779 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.462 -1.143 -12.510 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.819 -2.023 -12.103 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.169 -3.650 -12.083 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.209 -3.237 -14.409 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.013 -1.679 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.637 -4.191 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.263 -3.785 -15.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 5.018 -2.381 -15.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.962 -1.365 -14.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 5.006 -2.408 -13.601 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.692 -1.965 -9.859 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.971 -1.363 -9.378 1.00 0.00 C ATOM 1052 C GLU B 8 -2.867 -0.955 -7.908 1.00 0.00 C ATOM 1053 O GLU B 8 -3.470 0.012 -7.520 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.053 -2.424 -9.597 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.879 -2.041 -10.828 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.986 -3.074 -11.065 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.963 -3.051 -10.332 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.838 -3.865 -11.981 1.00 0.00 O ATOM 0 H GLU B 8 -1.728 -2.971 -10.022 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.211 -0.451 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.597 -3.404 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.695 -2.495 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.318 -1.053 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.233 -1.982 -11.704 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.074 -1.637 -7.102 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.923 -1.201 -5.663 1.00 0.00 C ATOM 1067 C LEU B 9 -1.068 0.058 -5.608 1.00 0.00 C ATOM 1068 O LEU B 9 -1.183 0.852 -4.699 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.194 -2.272 -4.864 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.682 -3.681 -5.162 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.611 -4.675 -4.669 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -3.010 -3.890 -4.415 1.00 0.00 C ATOM 0 H LEU B 9 -1.534 -2.460 -7.369 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.916 -1.026 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.127 -2.212 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.318 -2.069 -3.800 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.844 -3.837 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.939 -5.694 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.328 -4.486 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.463 -4.549 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.384 -4.895 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.849 -3.766 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.740 -3.158 -4.759 1.00 0.00 H new ATOM 1084 N SER B 10 -0.213 0.239 -6.584 1.00 0.00 N ATOM 1085 CA SER B 10 0.640 1.451 -6.625 1.00 0.00 C ATOM 1086 C SER B 10 -0.284 2.680 -6.727 1.00 0.00 C ATOM 1087 O SER B 10 -0.164 3.630 -5.967 1.00 0.00 O ATOM 1088 CB SER B 10 1.475 1.252 -7.891 1.00 0.00 C ATOM 1089 OG SER B 10 2.342 0.140 -7.714 1.00 0.00 O ATOM 0 H SER B 10 -0.074 -0.411 -7.358 1.00 0.00 H new ATOM 0 HA SER B 10 1.274 1.602 -5.752 1.00 0.00 H new ATOM 0 HB2 SER B 10 0.822 1.086 -8.748 1.00 0.00 H new ATOM 0 HB3 SER B 10 2.056 2.150 -8.102 1.00 0.00 H new ATOM 0 HG SER B 10 1.834 -0.691 -7.821 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.246 2.618 -7.639 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.231 3.739 -7.825 1.00 0.00 C ATOM 1097 C VAL B 11 -3.382 3.628 -6.800 1.00 0.00 C ATOM 1098 O VAL B 11 -3.669 4.572 -6.086 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.765 3.571 -9.266 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.586 4.801 -9.660 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.595 3.400 -10.252 1.00 0.00 C ATOM 0 H VAL B 11 -1.386 1.826 -8.266 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.772 4.716 -7.672 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.396 2.683 -9.304 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.960 4.678 -10.676 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.426 4.912 -8.975 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.957 5.690 -9.610 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.985 3.283 -11.263 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.953 4.280 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.017 2.516 -9.981 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.033 2.477 -6.735 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.174 2.270 -5.769 1.00 0.00 C ATOM 1113 C ALA B 12 -4.703 2.393 -4.327 1.00 0.00 C ATOM 1114 O ALA B 12 -5.317 3.060 -3.525 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.692 0.836 -6.020 1.00 0.00 C ATOM 0 H ALA B 12 -3.819 1.667 -7.316 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.948 3.022 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.523 0.626 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.030 0.747 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.889 0.122 -5.838 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.618 1.749 -4.015 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.064 1.761 -2.640 1.00 0.00 C ATOM 1123 C GLY B 13 -2.655 3.151 -2.214 1.00 0.00 C ATOM 1124 O GLY B 13 -3.119 3.630 -1.199 1.00 0.00 O ATOM 0 H GLY B 13 -3.076 1.197 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.808 1.371 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.201 1.096 -2.589 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.761 3.785 -2.945 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.289 5.141 -2.507 1.00 0.00 C ATOM 1130 C ARG B 14 -2.444 6.161 -2.401 1.00 0.00 C ATOM 1131 O ARG B 14 -2.470 6.954 -1.479 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.237 5.600 -3.519 1.00 0.00 C ATOM 1133 CG ARG B 14 0.989 6.131 -2.767 1.00 0.00 C ATOM 1134 CD ARG B 14 0.613 7.291 -1.848 1.00 0.00 C ATOM 1135 NE ARG B 14 1.774 7.411 -0.927 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.733 8.270 -1.168 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.886 7.844 -1.629 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.544 9.547 -0.943 1.00 0.00 N ATOM 0 H ARG B 14 -1.346 3.431 -3.807 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.865 5.076 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.049 4.770 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.649 6.378 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.435 5.328 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.743 6.460 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.453 8.211 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.309 7.086 -1.304 1.00 0.00 H new ATOM 0 HE ARG B 14 1.824 6.818 -0.099 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.031 6.849 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.636 8.508 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG B 14 1.649 9.874 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.292 10.214 -1.131 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.405 6.143 -3.308 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.553 7.114 -3.191 1.00 0.00 C ATOM 1154 C GLU B 15 -5.392 6.764 -1.943 1.00 0.00 C ATOM 1155 O GLU B 15 -5.769 7.638 -1.192 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.369 6.972 -4.476 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.602 7.599 -5.648 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.466 7.579 -6.914 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.427 8.335 -6.972 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.150 6.813 -7.804 1.00 0.00 O ATOM 0 H GLU B 15 -3.444 5.512 -4.108 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.215 8.144 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.565 5.919 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.337 7.460 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.324 8.624 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.676 7.051 -5.822 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.610 5.483 -1.689 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.340 5.028 -0.448 1.00 0.00 C ATOM 1169 C ILE B 16 -5.478 5.389 0.802 1.00 0.00 C ATOM 1170 O ILE B 16 -5.994 5.605 1.884 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.516 3.498 -0.623 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.540 3.232 -1.738 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.017 2.850 0.670 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.453 1.783 -2.218 1.00 0.00 C ATOM 0 H ILE B 16 -5.308 4.724 -2.300 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.310 5.506 -0.307 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.548 3.068 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.546 3.439 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.359 3.908 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.132 1.777 0.518 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.298 3.029 1.469 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.979 3.282 0.945 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.186 1.616 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.453 1.587 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.658 1.111 -1.385 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.169 5.486 0.626 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.232 5.877 1.738 1.00 0.00 C ATOM 1188 C VAL B 17 -3.315 7.397 1.992 1.00 0.00 C ATOM 1189 O VAL B 17 -3.146 7.845 3.112 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.802 5.517 1.226 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.705 6.205 2.052 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.573 4.020 1.291 1.00 0.00 C ATOM 0 H VAL B 17 -3.705 5.305 -0.264 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.480 5.367 2.669 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.744 5.867 0.195 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.274 5.926 1.661 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.826 7.286 1.989 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.782 5.891 3.093 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.571 3.789 0.930 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.674 3.681 2.322 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.309 3.512 0.668 1.00 0.00 H new ATOM 1202 N THR B 18 -3.490 8.191 0.941 1.00 0.00 N ATOM 1203 CA THR B 18 -3.477 9.685 1.105 1.00 0.00 C ATOM 1204 C THR B 18 -4.740 10.398 0.591 1.00 0.00 C ATOM 1205 O THR B 18 -4.656 11.570 0.245 1.00 0.00 O ATOM 1206 CB THR B 18 -2.249 10.152 0.291 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.492 9.975 -1.103 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.022 9.338 0.686 1.00 0.00 C ATOM 0 H THR B 18 -3.640 7.864 -0.013 1.00 0.00 H new ATOM 0 HA THR B 18 -3.439 9.935 2.165 1.00 0.00 H new ATOM 0 HB THR B 18 -2.073 11.207 0.502 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.500 9.018 -1.315 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.161 9.674 0.108 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.821 9.475 1.749 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.205 8.283 0.485 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.906 9.766 0.541 1.00 0.00 N ATOM 1217 CA LEU B 19 -7.112 10.542 0.048 1.00 0.00 C ATOM 1218 C LEU B 19 -7.382 11.737 1.012 1.00 0.00 C ATOM 1219 O LEU B 19 -6.898 11.744 2.134 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.286 9.564 -0.082 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.557 8.839 1.223 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.044 8.964 1.528 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.168 7.358 1.082 1.00 0.00 C ATOM 0 H LEU B 19 -6.072 8.795 0.806 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.948 10.981 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.180 10.107 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -8.069 8.837 -0.865 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.970 9.273 2.032 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.268 8.451 2.463 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.309 10.017 1.620 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.620 8.514 0.720 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.364 6.839 2.021 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.756 6.902 0.286 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.108 7.282 0.839 1.00 0.00 H new ATOM 1235 N PRO B 20 -8.047 12.758 0.499 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.256 14.042 1.261 1.00 0.00 C ATOM 1237 C PRO B 20 -8.967 13.942 2.626 1.00 0.00 C ATOM 1238 O PRO B 20 -8.734 14.797 3.467 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.058 14.905 0.282 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.709 13.927 -0.632 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.702 12.827 -0.819 1.00 0.00 C ATOM 0 HA PRO B 20 -7.288 14.446 1.558 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.797 15.514 0.803 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.410 15.590 -0.266 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.635 13.544 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.967 14.390 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.178 11.883 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.992 13.059 -1.612 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.840 12.980 2.873 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.551 12.966 4.213 1.00 0.00 C ATOM 1251 C ASN B 21 -10.574 11.592 4.913 1.00 0.00 C ATOM 1252 O ASN B 21 -11.520 11.293 5.625 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.986 13.390 3.893 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.038 14.834 3.379 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.362 15.711 3.881 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.840 15.121 2.397 1.00 0.00 N ATOM 0 H ASN B 21 -10.087 12.227 2.231 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.025 13.623 4.906 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.407 12.720 3.144 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.603 13.297 4.787 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.900 16.079 2.051 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.409 14.389 1.973 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.563 10.767 4.757 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.589 9.440 5.466 1.00 0.00 C ATOM 1265 C LEU B 22 -8.716 9.475 6.716 1.00 0.00 C ATOM 1266 O LEU B 22 -7.755 10.223 6.809 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.024 8.413 4.505 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.586 7.019 4.810 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.870 6.775 4.008 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.538 5.975 4.427 1.00 0.00 C ATOM 0 H LEU B 22 -8.738 10.946 4.184 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.608 9.199 5.768 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.269 8.693 3.480 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.937 8.397 4.580 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.821 6.946 5.872 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.257 5.782 4.235 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.614 7.525 4.276 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.652 6.845 2.942 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.924 4.978 4.638 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.312 6.059 3.364 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.629 6.143 5.005 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.033 8.623 7.647 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.222 8.521 8.911 1.00 0.00 C ATOM 1284 C ASN B 23 -7.290 7.290 8.841 1.00 0.00 C ATOM 1285 O ASN B 23 -7.503 6.386 8.049 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.225 8.451 10.088 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.095 7.179 10.057 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.022 6.387 9.144 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.935 6.958 11.030 1.00 0.00 N ATOM 0 H ASN B 23 -9.825 7.983 7.595 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.571 9.384 9.050 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.677 8.488 11.029 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.871 9.328 10.061 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.523 6.124 11.017 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.004 7.619 11.804 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.232 7.283 9.636 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.227 6.154 9.599 1.00 0.00 C ATOM 1298 C ASP B 24 -5.815 4.722 9.784 1.00 0.00 C ATOM 1299 O ASP B 24 -5.313 3.814 9.139 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.144 6.479 10.659 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.706 6.470 12.086 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.230 7.490 12.505 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.591 5.445 12.740 1.00 0.00 O ATOM 0 H ASP B 24 -6.021 8.016 10.313 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.810 6.108 8.593 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.336 5.751 10.584 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.713 7.457 10.447 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.828 4.515 10.635 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.374 3.132 10.813 1.00 0.00 C ATOM 1310 C PRO B 25 -8.098 2.618 9.549 1.00 0.00 C ATOM 1311 O PRO B 25 -7.967 1.450 9.201 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.344 3.268 11.986 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.744 4.703 11.987 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.558 5.480 11.486 1.00 0.00 C ATOM 0 HA PRO B 25 -6.583 2.404 10.995 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.209 2.617 11.861 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.868 2.990 12.926 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.611 4.864 11.347 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.024 5.027 12.990 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.867 6.358 10.918 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.937 5.835 12.309 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.857 3.462 8.860 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.583 2.986 7.635 1.00 0.00 C ATOM 1324 C GLN B 26 -8.603 2.713 6.488 1.00 0.00 C ATOM 1325 O GLN B 26 -8.716 1.689 5.851 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.623 4.064 7.288 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.705 4.061 8.385 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.883 4.958 7.993 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.928 4.468 7.623 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.767 6.254 8.062 1.00 0.00 N ATOM 0 H GLN B 26 -8.998 4.444 9.095 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.088 2.036 7.814 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.149 5.043 7.225 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.069 3.862 6.314 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.057 3.043 8.551 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.276 4.407 9.325 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.890 6.672 8.373 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.553 6.851 7.805 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.628 3.586 6.239 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.632 3.306 5.133 1.00 0.00 C ATOM 1341 C LYS B 27 -5.866 2.016 5.413 1.00 0.00 C ATOM 1342 O LYS B 27 -5.596 1.261 4.501 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.638 4.478 5.002 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.156 5.051 6.345 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.540 6.441 6.106 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.646 7.478 5.847 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.945 8.693 5.330 1.00 0.00 N ATOM 0 H LYS B 27 -7.484 4.460 6.744 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.183 3.194 4.199 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.772 4.143 4.431 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.109 5.276 4.428 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.989 5.124 7.044 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.420 4.385 6.795 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.949 6.738 6.972 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.861 6.404 5.254 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.371 7.106 5.123 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.195 7.702 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.646 9.374 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.396 9.130 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.304 8.422 4.557 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.530 1.749 6.663 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.799 0.476 6.986 1.00 0.00 C ATOM 1363 C LYS B 28 -5.665 -0.720 6.553 1.00 0.00 C ATOM 1364 O LYS B 28 -5.255 -1.512 5.737 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.615 0.434 8.517 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.362 1.198 8.911 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.335 0.259 9.549 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.686 -0.599 8.459 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.347 -0.995 8.996 1.00 0.00 N ATOM 0 H LYS B 28 -5.729 2.351 7.462 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.838 0.432 6.473 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.486 0.869 9.008 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.542 -0.600 8.855 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.929 1.675 8.032 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.620 1.993 9.611 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.574 0.837 10.074 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.819 -0.378 10.289 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.294 -1.476 8.238 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.585 -0.039 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.397 -0.463 8.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.305 -0.783 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.201 -2.014 8.848 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.882 -0.822 7.074 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.798 -1.951 6.666 1.00 0.00 C ATOM 1385 C ALA B 29 -8.052 -1.908 5.143 1.00 0.00 C ATOM 1386 O ALA B 29 -8.203 -2.933 4.506 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.104 -1.716 7.435 1.00 0.00 C ATOM 0 H ALA B 29 -7.274 -0.175 7.759 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.368 -2.927 6.891 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.819 -2.501 7.187 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.904 -1.733 8.506 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.519 -0.747 7.159 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.079 -0.716 4.573 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.297 -0.549 3.097 1.00 0.00 C ATOM 1395 C PHE B 30 -7.134 -1.131 2.302 1.00 0.00 C ATOM 1396 O PHE B 30 -7.325 -1.926 1.407 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.335 0.968 2.871 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.644 1.381 2.281 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.958 1.010 0.977 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.535 2.143 3.037 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.174 1.396 0.427 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.751 2.531 2.485 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.070 2.158 1.182 1.00 0.00 C ATOM 0 H PHE B 30 -7.957 0.160 5.081 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.205 -1.058 2.774 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.177 1.486 3.817 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.522 1.262 2.207 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.260 0.425 0.396 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.282 2.430 4.047 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.427 1.108 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.446 3.120 3.065 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.014 2.459 0.753 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.932 -0.729 2.626 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.735 -1.254 1.905 1.00 0.00 C ATOM 1415 C ILE B 31 -4.593 -2.747 2.193 1.00 0.00 C ATOM 1416 O ILE B 31 -4.277 -3.519 1.313 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.549 -0.471 2.474 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.487 0.898 1.768 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.227 -1.252 2.289 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.049 1.321 1.556 1.00 0.00 C ATOM 0 H ILE B 31 -5.728 -0.055 3.364 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.803 -1.135 0.824 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.685 -0.326 3.546 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.001 0.842 0.808 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.008 1.646 2.366 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.401 -0.673 2.702 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.294 -2.209 2.807 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.053 -1.426 1.227 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.025 2.289 1.056 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.546 1.397 2.520 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.539 0.581 0.939 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.822 -3.147 3.424 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.709 -4.586 3.780 1.00 0.00 C ATOM 1434 C PHE B 32 -5.771 -5.393 2.989 1.00 0.00 C ATOM 1435 O PHE B 32 -5.496 -6.505 2.576 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.848 -4.651 5.318 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.482 -4.347 5.959 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.864 -3.061 5.824 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.799 -5.357 6.699 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.629 -2.834 6.394 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.562 -5.086 7.251 1.00 0.00 C ATOM 1442 CZ PHE B 32 -0.985 -3.846 7.098 1.00 0.00 C ATOM 0 H PHE B 32 -5.083 -2.531 4.194 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.757 -5.040 3.505 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.592 -3.931 5.659 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.196 -5.638 5.623 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.363 -2.274 5.279 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.248 -6.331 6.827 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.160 -1.866 6.293 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.044 -5.853 7.807 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.015 -3.655 7.532 1.00 0.00 H new ATOM 1452 N SER B 33 -6.941 -4.813 2.680 1.00 0.00 N ATOM 1453 CA SER B 33 -7.930 -5.551 1.813 1.00 0.00 C ATOM 1454 C SER B 33 -7.492 -5.403 0.328 1.00 0.00 C ATOM 1455 O SER B 33 -7.689 -6.296 -0.468 1.00 0.00 O ATOM 1456 CB SER B 33 -9.312 -4.923 2.073 1.00 0.00 C ATOM 1457 OG SER B 33 -9.343 -3.582 1.618 1.00 0.00 O ATOM 0 H SER B 33 -7.235 -3.886 2.988 1.00 0.00 H new ATOM 0 HA SER B 33 -7.973 -6.616 2.040 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.083 -5.503 1.565 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.538 -4.957 3.139 1.00 0.00 H new ATOM 0 HG SER B 33 -8.455 -3.181 1.722 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.853 -4.283 -0.016 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.323 -4.051 -1.414 1.00 0.00 C ATOM 1465 C LEU B 34 -5.190 -5.051 -1.708 1.00 0.00 C ATOM 1466 O LEU B 34 -5.115 -5.607 -2.786 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.819 -2.584 -1.385 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.014 -2.201 -2.626 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.948 -1.995 -3.823 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.265 -0.894 -2.353 1.00 0.00 C ATOM 0 H LEU B 34 -6.678 -3.512 0.629 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.065 -4.200 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.674 -1.914 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.202 -2.436 -0.499 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.311 -3.002 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.361 -1.723 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.492 -2.918 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.656 -1.198 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.688 -0.614 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.981 -0.105 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.592 -1.031 -1.507 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.332 -5.290 -0.736 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.212 -6.267 -0.909 1.00 0.00 C ATOM 1484 C TRP B 35 -3.750 -7.710 -1.010 1.00 0.00 C ATOM 1485 O TRP B 35 -3.303 -8.485 -1.839 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.354 -6.132 0.348 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.119 -6.938 0.148 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.834 -8.106 0.762 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.019 -6.672 -0.753 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.371 -8.567 0.296 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.924 -7.708 -0.630 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.250 -5.631 -1.650 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.095 -7.707 -1.371 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.427 -5.631 -2.399 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.345 -6.661 -2.258 1.00 0.00 C ATOM 0 H TRP B 35 -4.365 -4.841 0.179 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.652 -6.064 -1.822 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.102 -5.087 0.528 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.901 -6.483 1.223 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.453 -8.597 1.499 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.805 -9.439 0.598 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.458 -4.823 -1.763 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.808 -8.510 -1.262 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.624 -4.826 -3.091 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.256 -6.653 -2.837 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.686 -8.070 -0.146 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.256 -9.457 -0.140 1.00 0.00 C ATOM 1508 C ASP B 36 -6.194 -9.667 -1.331 1.00 0.00 C ATOM 1509 O ASP B 36 -6.183 -10.719 -1.946 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.027 -9.575 1.183 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.281 -11.052 1.506 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.415 -11.661 2.115 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.333 -11.548 1.139 1.00 0.00 O ATOM 0 H ASP B 36 -5.079 -7.449 0.561 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.475 -10.213 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.459 -9.110 1.988 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.974 -9.041 1.111 1.00 0.00 H new ATOM 1518 N ASP B 37 -7.014 -8.680 -1.648 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.959 -8.828 -2.787 1.00 0.00 C ATOM 1520 C ASP B 37 -7.854 -7.617 -3.735 1.00 0.00 C ATOM 1521 O ASP B 37 -8.775 -6.817 -3.821 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.380 -8.931 -2.171 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.395 -9.911 -0.985 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.385 -11.106 -1.227 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.412 -9.442 0.142 1.00 0.00 O ATOM 0 H ASP B 37 -7.061 -7.785 -1.161 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.730 -9.714 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.709 -7.946 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -10.087 -9.263 -2.931 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.736 -7.526 -4.452 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.545 -6.416 -5.428 1.00 0.00 C ATOM 1532 C PRO B 38 -7.517 -6.519 -6.620 1.00 0.00 C ATOM 1533 O PRO B 38 -7.606 -5.597 -7.408 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.120 -6.567 -5.888 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.810 -8.011 -5.668 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.556 -8.406 -4.427 1.00 0.00 C ATOM 0 HA PRO B 38 -6.745 -5.444 -4.976 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.010 -6.292 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.448 -5.925 -5.318 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -5.124 -8.613 -6.521 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.738 -8.166 -5.546 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.838 -9.459 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.957 -8.251 -3.530 1.00 0.00 H new ATOM 1544 N SER B 39 -8.285 -7.593 -6.737 1.00 0.00 N ATOM 1545 CA SER B 39 -9.304 -7.667 -7.843 1.00 0.00 C ATOM 1546 C SER B 39 -10.272 -6.475 -7.652 1.00 0.00 C ATOM 1547 O SER B 39 -10.780 -5.908 -8.602 1.00 0.00 O ATOM 1548 CB SER B 39 -10.044 -8.992 -7.644 1.00 0.00 C ATOM 1549 OG SER B 39 -10.271 -9.602 -8.909 1.00 0.00 O ATOM 0 H SER B 39 -8.248 -8.407 -6.123 1.00 0.00 H new ATOM 0 HA SER B 39 -8.867 -7.620 -8.841 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.459 -9.656 -7.008 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.993 -8.818 -7.136 1.00 0.00 H new ATOM 0 HG SER B 39 -10.743 -10.451 -8.783 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.470 -6.087 -6.397 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.342 -4.918 -6.045 1.00 0.00 C ATOM 1557 C GLN B 40 -10.490 -3.628 -5.937 1.00 0.00 C ATOM 1558 O GLN B 40 -10.973 -2.648 -5.428 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.921 -5.210 -4.633 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.200 -6.698 -4.416 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.917 -6.901 -3.079 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.368 -6.614 -2.032 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -14.124 -7.386 -3.066 1.00 0.00 N ATOM 0 H GLN B 40 -10.049 -6.549 -5.591 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.114 -4.781 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.220 -4.860 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.844 -4.646 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.813 -7.085 -5.230 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.265 -7.258 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -14.586 -7.627 -3.943 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.608 -7.525 -2.179 1.00 0.00 H new ATOM 1572 N SER B 41 -9.223 -3.626 -6.359 1.00 0.00 N ATOM 1573 CA SER B 41 -8.350 -2.395 -6.214 1.00 0.00 C ATOM 1574 C SER B 41 -9.008 -1.147 -6.822 1.00 0.00 C ATOM 1575 O SER B 41 -8.987 -0.088 -6.217 1.00 0.00 O ATOM 1576 CB SER B 41 -7.058 -2.677 -6.950 1.00 0.00 C ATOM 1577 OG SER B 41 -6.268 -3.604 -6.223 1.00 0.00 O ATOM 0 H SER B 41 -8.763 -4.425 -6.796 1.00 0.00 H new ATOM 0 HA SER B 41 -8.187 -2.194 -5.155 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.276 -3.074 -7.942 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.503 -1.750 -7.093 1.00 0.00 H new ATOM 0 HG SER B 41 -5.436 -3.779 -6.711 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.609 -1.266 -7.998 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.298 -0.081 -8.621 1.00 0.00 C ATOM 1585 C ALA B 42 -11.451 0.346 -7.699 1.00 0.00 C ATOM 1586 O ALA B 42 -11.603 1.515 -7.382 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.829 -0.568 -9.975 1.00 0.00 C ATOM 0 H ALA B 42 -9.649 -2.126 -8.545 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.637 0.775 -8.757 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.343 0.250 -10.480 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.997 -0.909 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.526 -1.392 -9.818 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.224 -0.619 -7.224 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.335 -0.330 -6.273 1.00 0.00 C ATOM 1595 C ASN B 43 -12.770 0.186 -4.933 1.00 0.00 C ATOM 1596 O ASN B 43 -13.387 0.999 -4.294 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.065 -1.667 -6.071 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.351 -1.439 -5.268 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.360 -1.040 -5.815 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.353 -1.665 -3.981 1.00 0.00 N ATOM 0 H ASN B 43 -12.120 -1.604 -7.466 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.006 0.439 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.303 -2.112 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.418 -2.370 -5.547 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.201 -1.506 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.507 -2.000 -3.521 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.603 -0.294 -4.517 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.975 0.148 -3.220 1.00 0.00 C ATOM 1609 C LEU B 44 -10.619 1.624 -3.277 1.00 0.00 C ATOM 1610 O LEU B 44 -10.995 2.395 -2.423 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.707 -0.702 -3.092 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.022 -1.975 -2.323 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.196 -3.137 -2.890 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.686 -1.732 -0.845 1.00 0.00 C ATOM 0 H LEU B 44 -11.057 -0.983 -5.034 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.647 0.020 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.321 -0.949 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.929 -0.138 -2.578 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.076 -2.235 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.423 -4.049 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.443 -3.279 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.134 -2.910 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.903 -2.632 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.629 -1.486 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.287 -0.905 -0.466 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.914 2.006 -4.305 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.524 3.436 -4.505 1.00 0.00 C ATOM 1628 C LEU B 45 -10.785 4.311 -4.502 1.00 0.00 C ATOM 1629 O LEU B 45 -10.843 5.325 -3.828 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.827 3.459 -5.878 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.592 4.899 -6.353 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.068 5.760 -5.203 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.573 4.886 -7.493 1.00 0.00 C ATOM 0 H LEU B 45 -9.583 1.374 -5.034 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.871 3.821 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.874 2.933 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.437 2.927 -6.608 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.534 5.322 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.906 6.779 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.797 5.768 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.127 5.348 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.399 5.905 -7.837 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.635 4.458 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.957 4.285 -8.317 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.804 3.888 -5.218 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.090 4.649 -5.239 1.00 0.00 C ATOM 1647 C ALA B 46 -13.730 4.595 -3.841 1.00 0.00 C ATOM 1648 O ALA B 46 -14.185 5.596 -3.330 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.959 3.907 -6.249 1.00 0.00 C ATOM 0 H ALA B 46 -11.796 3.044 -5.790 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.962 5.699 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.928 4.401 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.469 3.911 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.102 2.878 -5.919 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.728 3.422 -3.225 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.290 3.245 -1.846 1.00 0.00 C ATOM 1657 C GLU B 47 -13.547 4.168 -0.863 1.00 0.00 C ATOM 1658 O GLU B 47 -14.130 4.680 0.066 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.040 1.761 -1.490 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.929 1.337 -0.315 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.602 -0.109 0.081 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -14.925 -1.004 -0.687 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.039 -0.300 1.146 1.00 0.00 O ATOM 0 H GLU B 47 -13.351 2.568 -3.635 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.349 3.497 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.247 1.133 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.991 1.614 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.769 2.002 0.534 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.980 1.420 -0.592 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.261 4.378 -1.088 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.440 5.268 -0.203 1.00 0.00 C ATOM 1672 C ALA B 48 -11.902 6.722 -0.366 1.00 0.00 C ATOM 1673 O ALA B 48 -12.263 7.366 0.600 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.985 5.093 -0.682 1.00 0.00 C ATOM 0 H ALA B 48 -11.743 3.961 -1.861 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.540 5.016 0.853 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.326 5.716 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.691 4.048 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.908 5.390 -1.728 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.917 7.224 -1.591 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.381 8.635 -1.847 1.00 0.00 C ATOM 1682 C LYS B 49 -13.849 8.802 -1.410 1.00 0.00 C ATOM 1683 O LYS B 49 -14.199 9.767 -0.758 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.234 8.845 -3.363 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.743 8.880 -3.736 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.578 9.240 -5.219 1.00 0.00 C ATOM 1687 CE LYS B 49 -10.720 7.978 -6.087 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.653 8.083 -7.129 1.00 0.00 N ATOM 0 H LYS B 49 -11.626 6.713 -2.425 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.800 9.366 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.735 8.041 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.716 9.777 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.222 9.610 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.287 7.910 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.328 9.976 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.602 9.697 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.596 7.075 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.709 7.925 -6.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.583 7.183 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.891 8.847 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.742 8.292 -6.673 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.696 7.846 -1.744 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.140 7.914 -1.324 1.00 0.00 C ATOM 1704 C LYS B 50 -16.256 7.850 0.212 1.00 0.00 C ATOM 1705 O LYS B 50 -17.072 8.534 0.797 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.831 6.710 -1.982 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.925 6.940 -3.496 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.638 5.756 -4.152 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.625 5.921 -5.680 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.890 6.646 -6.019 1.00 0.00 N ATOM 0 H LYS B 50 -14.447 7.021 -2.290 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.606 8.849 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.271 5.798 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.827 6.574 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.468 7.863 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.927 7.056 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.146 4.824 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.665 5.694 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -16.751 6.485 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -17.583 4.952 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.942 6.790 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -19.707 6.084 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.901 7.569 -5.539 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.422 7.050 0.865 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.458 6.964 2.367 1.00 0.00 C ATOM 1726 C LEU B 51 -15.008 8.300 2.981 1.00 0.00 C ATOM 1727 O LEU B 51 -15.602 8.759 3.939 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.493 5.827 2.753 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.596 5.544 4.258 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.991 4.175 4.568 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.862 6.630 5.056 1.00 0.00 C ATOM 0 H LEU B 51 -14.722 6.457 0.418 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.463 6.764 2.738 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.733 4.927 2.187 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.470 6.103 2.495 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.647 5.548 4.546 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -14.066 3.978 5.637 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.532 3.405 4.018 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.943 4.165 4.270 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.944 6.416 6.122 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.811 6.645 4.768 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.310 7.601 4.846 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.977 8.929 2.425 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.498 10.257 2.955 1.00 0.00 C ATOM 1745 C ASN B 52 -14.679 11.236 3.053 1.00 0.00 C ATOM 1746 O ASN B 52 -14.720 12.073 3.933 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.401 10.720 1.944 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.828 11.832 0.940 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.580 12.733 1.241 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.314 11.833 -0.252 1.00 0.00 N ATOM 0 H ASN B 52 -13.451 8.574 1.627 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.085 10.200 3.962 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.541 11.079 2.510 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.069 9.852 1.375 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.547 12.580 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.678 11.087 -0.534 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.632 11.121 2.139 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.821 12.029 2.133 1.00 0.00 C ATOM 1759 C ASP B 53 -17.649 11.862 3.417 1.00 0.00 C ATOM 1760 O ASP B 53 -18.244 12.814 3.896 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.673 11.614 0.918 1.00 0.00 C ATOM 1762 CG ASP B 53 -16.889 11.754 -0.404 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -15.990 12.578 -0.477 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -17.210 11.030 -1.327 1.00 0.00 O ATOM 0 H ASP B 53 -15.627 10.426 1.393 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.507 13.071 2.079 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -18.001 10.582 1.039 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.571 12.231 0.876 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.684 10.658 3.974 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.467 10.417 5.233 1.00 0.00 C ATOM 1771 C ALA B 54 -17.887 11.245 6.394 1.00 0.00 C ATOM 1772 O ALA B 54 -18.615 11.722 7.246 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.320 8.917 5.498 1.00 0.00 C ATOM 0 H ALA B 54 -17.202 9.838 3.605 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.512 10.713 5.139 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.864 8.653 6.405 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.725 8.357 4.655 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.265 8.671 5.623 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.581 11.436 6.404 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.917 12.248 7.471 1.00 0.00 C ATOM 1781 C GLN B 55 -15.830 13.730 7.046 1.00 0.00 C ATOM 1782 O GLN B 55 -15.885 14.613 7.882 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.523 11.620 7.604 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.624 10.312 8.397 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.327 9.518 8.235 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.719 9.112 9.206 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.875 9.281 7.037 1.00 0.00 N ATOM 0 H GLN B 55 -15.943 11.055 5.705 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.462 12.240 8.415 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.104 11.427 6.616 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.848 12.312 8.108 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.803 10.526 9.451 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.470 9.723 8.043 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.386 9.622 6.223 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.010 8.754 6.913 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.677 13.997 5.755 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.562 15.413 5.263 1.00 0.00 C ATOM 1798 C ALA B 56 -15.837 15.506 3.746 1.00 0.00 C ATOM 1799 O ALA B 56 -15.575 14.567 3.029 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.109 15.769 5.533 1.00 0.00 C ATOM 0 H ALA B 56 -15.628 13.287 5.024 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.278 16.074 5.751 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.918 16.792 5.207 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.906 15.684 6.601 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.459 15.087 4.985 1.00 0.00 H new