USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 774 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: F 23 ASN : amide:sc= 1.08 K(o=1.3,f=-0.76) USER MOD Set 1.2: F 55 GLN : amide:sc= 0.174 K(o=1.3,f=-5.6!) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -157:sc= -0.169 (180deg=-1.17) USER MOD Single : E 18 TYR OH : rot 145:sc= 1.22 USER MOD Single : E 21 ASN : amide:sc= -1.77! X(o=-1.8!,f=-2) USER MOD Single : E 23 ASN : amide:sc= -0.619 K(o=-0.62,f=-13!) USER MOD Single : E 26 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.9) USER MOD Single : E 32 HIS : no HD1:sc= -1.25 K(o=-0.29,f=-7.2!) USER MOD Single : E 33 SER OG : rot 86:sc= 0.389 USER MOD Single : E 35 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.2) USER MOD Single : E 39 SER OG : rot 180:sc= 0 USER MOD Single : E 40 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : E 41 SER OG : rot 109:sc= 0.749 USER MOD Single : E 43 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -134:sc= 1.03 (180deg=0.0251) USER MOD Single : E 50 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.128) USER MOD Single : E 52 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : E 55 GLN : amide:sc= -0.573 K(o=-0.57,f=-2!) USER MOD Single : F 18 TYR OH : rot -70:sc= 0.0637 USER MOD Single : F 21 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.64) USER MOD Single : F 26 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.26) USER MOD Single : F 32 HIS : no HD1:sc= -0.0714 K(o=-0.071,f=-0.59) USER MOD Single : F 33 SER OG : rot -61:sc= -0.643! USER MOD Single : F 35 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-1.6) USER MOD Single : F 39 SER OG : rot -31:sc= 0.731 USER MOD Single : F 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : F 41 SER OG : rot -72:sc= 0.869 USER MOD Single : F 43 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.2) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 50 LYS NZ :NH3+ 160:sc= -0.0192 (180deg=-0.285) USER MOD Single : F 52 ASN : amide:sc= 0.793 K(o=0.79,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.255 -7.975 -2.574 1.00 0.00 N ATOM 24 CA LEU C 17 122.730 -6.606 -2.584 1.00 0.00 C ATOM 25 C LEU C 17 121.743 -6.436 -1.432 1.00 0.00 C ATOM 26 O LEU C 17 121.076 -7.397 -1.035 1.00 0.00 O ATOM 27 CB LEU C 17 122.029 -6.300 -3.923 1.00 0.00 C ATOM 28 CG LEU C 17 122.906 -5.362 -4.783 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.660 -6.172 -5.845 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.021 -4.303 -5.457 1.00 0.00 C ATOM 0 HA LEU C 17 123.560 -5.909 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.839 -7.228 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.061 -5.835 -3.737 1.00 0.00 H new ATOM 0 HG LEU C 17 123.634 -4.865 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.275 -5.501 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.297 -6.909 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU C 17 122.944 -6.682 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.641 -3.643 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.286 -4.795 -6.093 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.507 -3.719 -4.694 1.00 0.00 H new ATOM 42 N VAL C 18 121.659 -5.215 -0.894 1.00 0.00 N ATOM 43 CA VAL C 18 120.751 -4.935 0.228 1.00 0.00 C ATOM 44 C VAL C 18 120.036 -3.608 0.015 1.00 0.00 C ATOM 45 O VAL C 18 120.672 -2.619 -0.325 1.00 0.00 O ATOM 46 CB VAL C 18 121.540 -4.877 1.554 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.558 -4.761 2.734 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.397 -6.147 1.714 1.00 0.00 C ATOM 0 H VAL C 18 122.201 -4.411 -1.211 1.00 0.00 H new ATOM 0 HA VAL C 18 120.015 -5.738 0.277 1.00 0.00 H new ATOM 0 HB VAL C 18 122.196 -4.006 1.541 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.116 -4.720 3.669 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.965 -3.853 2.626 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.897 -5.628 2.744 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.950 -6.097 2.652 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.750 -7.024 1.720 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.098 -6.220 0.883 1.00 0.00 H new ATOM 58 N PHE C 19 118.718 -3.589 0.249 1.00 0.00 N ATOM 59 CA PHE C 19 117.933 -2.366 0.111 1.00 0.00 C ATOM 60 C PHE C 19 117.708 -1.776 1.486 1.00 0.00 C ATOM 61 O PHE C 19 117.196 -2.451 2.375 1.00 0.00 O ATOM 62 CB PHE C 19 116.568 -2.653 -0.542 1.00 0.00 C ATOM 63 CG PHE C 19 116.577 -2.150 -1.970 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.423 -2.758 -2.909 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.752 -1.074 -2.360 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.449 -2.303 -4.226 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.788 -0.623 -3.686 1.00 0.00 C ATOM 68 CZ PHE C 19 116.636 -1.240 -4.615 1.00 0.00 C ATOM 0 H PHE C 19 118.178 -4.406 0.534 1.00 0.00 H new ATOM 0 HA PHE C 19 118.479 -1.669 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.361 -3.723 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.773 -2.165 0.022 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.056 -3.581 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.098 -0.602 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.100 -2.775 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.161 0.201 -3.992 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.660 -0.890 -5.637 1.00 0.00 H new ATOM 78 N PHE C 20 118.090 -0.519 1.644 1.00 0.00 N ATOM 79 CA PHE C 20 117.931 0.176 2.921 1.00 0.00 C ATOM 80 C PHE C 20 117.351 1.570 2.714 1.00 0.00 C ATOM 81 O PHE C 20 117.502 2.164 1.642 1.00 0.00 O ATOM 82 CB PHE C 20 119.279 0.268 3.643 1.00 0.00 C ATOM 83 CG PHE C 20 120.254 1.080 2.837 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.204 2.477 2.885 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.203 0.438 2.041 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.103 3.230 2.135 1.00 0.00 C ATOM 87 CE2 PHE C 20 122.100 1.189 1.293 1.00 0.00 C ATOM 88 CZ PHE C 20 122.053 2.589 1.337 1.00 0.00 C ATOM 0 H PHE C 20 118.513 0.045 0.907 1.00 0.00 H new ATOM 0 HA PHE C 20 117.236 -0.395 3.536 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.142 0.722 4.624 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.679 -0.733 3.808 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.469 2.971 3.503 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.240 -0.641 2.007 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.066 4.309 2.170 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.835 0.693 0.676 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.751 3.172 0.754 1.00 0.00 H new ATOM 98 N ALA C 21 116.696 2.092 3.750 1.00 0.00 N ATOM 99 CA ALA C 21 116.109 3.422 3.684 1.00 0.00 C ATOM 100 C ALA C 21 116.805 4.342 4.679 1.00 0.00 C ATOM 101 O ALA C 21 116.971 3.989 5.851 1.00 0.00 O ATOM 102 CB ALA C 21 114.619 3.344 3.987 1.00 0.00 C ATOM 0 H ALA C 21 116.561 1.613 4.640 1.00 0.00 H new ATOM 0 HA ALA C 21 116.241 3.826 2.680 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.185 4.342 3.936 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.132 2.699 3.256 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.472 2.935 4.986 1.00 0.00 H new ATOM 108 N GLU C 22 117.212 5.518 4.199 1.00 0.00 N ATOM 109 CA GLU C 22 117.891 6.497 5.024 1.00 0.00 C ATOM 110 C GLU C 22 116.904 7.562 5.477 1.00 0.00 C ATOM 111 O GLU C 22 116.239 8.169 4.646 1.00 0.00 O ATOM 112 CB GLU C 22 119.010 7.138 4.193 1.00 0.00 C ATOM 113 CG GLU C 22 119.747 8.182 5.027 1.00 0.00 C ATOM 114 CD GLU C 22 120.841 8.854 4.194 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.793 8.176 3.850 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.709 10.035 3.913 1.00 0.00 O ATOM 0 H GLU C 22 117.077 5.810 3.231 1.00 0.00 H new ATOM 0 HA GLU C 22 118.312 6.017 5.907 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.708 6.372 3.855 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.591 7.603 3.301 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.043 8.932 5.387 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.188 7.710 5.905 1.00 0.00 H new ATOM 123 N ASP C 23 116.837 7.799 6.788 1.00 0.00 N ATOM 124 CA ASP C 23 115.944 8.814 7.335 1.00 0.00 C ATOM 125 C ASP C 23 116.557 10.185 7.087 1.00 0.00 C ATOM 126 O ASP C 23 117.611 10.512 7.631 1.00 0.00 O ATOM 127 CB ASP C 23 115.737 8.587 8.837 1.00 0.00 C ATOM 128 CG ASP C 23 114.715 9.585 9.383 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.530 9.316 9.267 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.131 10.607 9.906 1.00 0.00 O ATOM 0 H ASP C 23 117.390 7.302 7.486 1.00 0.00 H new ATOM 0 HA ASP C 23 114.971 8.751 6.847 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.393 7.568 9.015 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.685 8.700 9.364 1.00 0.00 H new ATOM 135 N VAL C 24 115.912 10.954 6.220 1.00 0.00 N ATOM 136 CA VAL C 24 116.409 12.282 5.840 1.00 0.00 C ATOM 137 C VAL C 24 115.422 13.388 6.210 1.00 0.00 C ATOM 138 O VAL C 24 115.692 14.568 5.971 1.00 0.00 O ATOM 139 CB VAL C 24 116.675 12.276 4.322 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.574 11.073 3.993 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.336 12.178 3.548 1.00 0.00 C ATOM 0 H VAL C 24 115.041 10.686 5.762 1.00 0.00 H new ATOM 0 HA VAL C 24 117.328 12.491 6.388 1.00 0.00 H new ATOM 0 HB VAL C 24 117.171 13.200 4.024 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.774 11.051 2.922 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.515 11.162 4.536 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.071 10.152 4.287 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.535 12.174 2.476 1.00 0.00 H new ATOM 0 HG22 VAL C 24 114.822 11.257 3.825 1.00 0.00 H new ATOM 0 HG23 VAL C 24 114.708 13.033 3.798 1.00 0.00 H new ATOM 183 N LYS C 28 110.740 14.452 1.784 1.00 0.00 N ATOM 184 CA LYS C 28 111.259 13.240 1.162 1.00 0.00 C ATOM 185 C LYS C 28 111.095 12.029 2.083 1.00 0.00 C ATOM 186 O LYS C 28 111.229 10.888 1.635 1.00 0.00 O ATOM 187 CB LYS C 28 112.747 13.438 0.863 1.00 0.00 C ATOM 188 CG LYS C 28 112.944 14.683 -0.016 1.00 0.00 C ATOM 189 CD LYS C 28 114.335 14.657 -0.667 1.00 0.00 C ATOM 190 CE LYS C 28 115.427 14.748 0.406 1.00 0.00 C ATOM 191 NZ LYS C 28 116.721 15.123 -0.233 1.00 0.00 N ATOM 0 HA LYS C 28 110.699 13.054 0.246 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.302 13.549 1.794 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.145 12.558 0.357 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.174 14.719 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS C 28 112.833 15.584 0.587 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.457 13.740 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.432 15.488 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.152 15.488 1.158 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.527 13.792 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.462 15.185 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.984 14.402 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 116.621 16.044 -0.705 1.00 0.00 H new ATOM 205 N GLY C 29 110.834 12.285 3.373 1.00 0.00 N ATOM 206 CA GLY C 29 110.693 11.204 4.349 1.00 0.00 C ATOM 207 C GLY C 29 112.031 10.486 4.489 1.00 0.00 C ATOM 208 O GLY C 29 112.902 10.927 5.245 1.00 0.00 O ATOM 0 H GLY C 29 110.718 13.222 3.758 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.378 11.605 5.312 1.00 0.00 H new ATOM 0 HA3 GLY C 29 109.922 10.504 4.027 1.00 0.00 H new ATOM 212 N ALA C 30 112.195 9.404 3.723 1.00 0.00 N ATOM 213 CA ALA C 30 113.439 8.637 3.708 1.00 0.00 C ATOM 214 C ALA C 30 113.914 8.458 2.264 1.00 0.00 C ATOM 215 O ALA C 30 113.136 8.641 1.322 1.00 0.00 O ATOM 216 CB ALA C 30 113.238 7.272 4.365 1.00 0.00 C ATOM 0 H ALA C 30 111.474 9.039 3.101 1.00 0.00 H new ATOM 0 HA ALA C 30 114.195 9.182 4.273 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.176 6.716 4.344 1.00 0.00 H new ATOM 0 HB2 ALA C 30 112.921 7.409 5.399 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.474 6.716 3.822 1.00 0.00 H new ATOM 222 N ILE C 31 115.190 8.099 2.103 1.00 0.00 N ATOM 223 CA ILE C 31 115.775 7.893 0.773 1.00 0.00 C ATOM 224 C ILE C 31 116.101 6.424 0.562 1.00 0.00 C ATOM 225 O ILE C 31 116.709 5.788 1.426 1.00 0.00 O ATOM 226 CB ILE C 31 117.075 8.708 0.599 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.799 10.206 0.798 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.633 8.475 -0.810 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.089 11.019 0.590 1.00 0.00 C ATOM 0 H ILE C 31 115.838 7.945 2.875 1.00 0.00 H new ATOM 0 HA ILE C 31 115.040 8.227 0.041 1.00 0.00 H new ATOM 0 HB ILE C 31 117.800 8.382 1.345 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.034 10.538 0.096 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.409 10.381 1.801 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.551 9.049 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.846 7.415 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.899 8.796 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.878 12.079 0.734 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.842 10.697 1.310 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.462 10.857 -0.421 1.00 0.00 H new ATOM 241 N ILE C 32 115.723 5.906 -0.606 1.00 0.00 N ATOM 242 CA ILE C 32 116.005 4.524 -0.941 1.00 0.00 C ATOM 243 C ILE C 32 117.417 4.411 -1.500 1.00 0.00 C ATOM 244 O ILE C 32 117.722 4.916 -2.589 1.00 0.00 O ATOM 245 CB ILE C 32 114.970 3.975 -1.953 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.737 3.447 -1.195 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.578 2.844 -2.808 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.067 2.124 -0.482 1.00 0.00 C ATOM 0 H ILE C 32 115.224 6.425 -1.328 1.00 0.00 H new ATOM 0 HA ILE C 32 115.931 3.922 -0.035 1.00 0.00 H new ATOM 0 HB ILE C 32 114.675 4.786 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.407 4.187 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.912 3.296 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.830 2.476 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.437 3.226 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.898 2.029 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.184 1.766 0.048 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.374 1.381 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.877 2.286 0.230 1.00 0.00 H new ATOM 260 N GLY C 33 118.250 3.710 -0.747 1.00 0.00 N ATOM 261 CA GLY C 33 119.626 3.458 -1.128 1.00 0.00 C ATOM 262 C GLY C 33 119.918 1.987 -0.913 1.00 0.00 C ATOM 263 O GLY C 33 119.400 1.383 0.022 1.00 0.00 O ATOM 0 H GLY C 33 117.987 3.299 0.149 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.786 3.728 -2.172 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.303 4.070 -0.532 1.00 0.00 H new ATOM 267 N LEU C 34 120.731 1.410 -1.783 1.00 0.00 N ATOM 268 CA LEU C 34 121.070 -0.008 -1.670 1.00 0.00 C ATOM 269 C LEU C 34 122.566 -0.204 -1.615 1.00 0.00 C ATOM 270 O LEU C 34 123.337 0.629 -2.087 1.00 0.00 O ATOM 271 CB LEU C 34 120.505 -0.818 -2.841 1.00 0.00 C ATOM 272 CG LEU C 34 120.767 -0.088 -4.159 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.196 -1.116 -5.217 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.493 0.661 -4.592 1.00 0.00 C ATOM 0 H LEU C 34 121.167 1.892 -2.569 1.00 0.00 H new ATOM 0 HA LEU C 34 120.621 -0.366 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.965 -1.806 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.434 -0.968 -2.706 1.00 0.00 H new ATOM 0 HG LEU C 34 121.565 0.645 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.386 -0.608 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.104 -1.620 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.402 -1.851 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.679 1.182 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.680 -0.052 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.218 1.384 -3.824 1.00 0.00 H new ATOM 286 N MET C 35 122.951 -1.331 -1.044 1.00 0.00 N ATOM 287 CA MET C 35 124.355 -1.697 -0.918 1.00 0.00 C ATOM 288 C MET C 35 124.675 -2.788 -1.933 1.00 0.00 C ATOM 289 O MET C 35 123.824 -3.631 -2.216 1.00 0.00 O ATOM 290 CB MET C 35 124.655 -2.153 0.529 1.00 0.00 C ATOM 291 CG MET C 35 124.736 -3.685 0.631 1.00 0.00 C ATOM 292 SD MET C 35 124.728 -4.189 2.366 1.00 0.00 S ATOM 293 CE MET C 35 126.272 -3.383 2.828 1.00 0.00 C ATOM 0 H MET C 35 122.304 -2.017 -0.655 1.00 0.00 H new ATOM 0 HA MET C 35 124.990 -0.836 -1.126 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.596 -1.715 0.862 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.877 -1.783 1.197 1.00 0.00 H new ATOM 0 HG2 MET C 35 123.893 -4.138 0.108 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.643 -4.043 0.144 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.686 -3.869 3.711 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.983 -3.459 2.005 1.00 0.00 H new ATOM 0 HE3 MET C 35 126.082 -2.332 3.048 1.00 0.00 H new ATOM 303 N VAL C 36 125.891 -2.753 -2.472 1.00 0.00 N ATOM 304 CA VAL C 36 126.327 -3.730 -3.469 1.00 0.00 C ATOM 305 C VAL C 36 127.523 -4.521 -2.945 1.00 0.00 C ATOM 306 O VAL C 36 128.543 -3.937 -2.580 1.00 0.00 O ATOM 307 CB VAL C 36 126.730 -3.002 -4.766 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.993 -4.027 -5.877 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.616 -2.033 -5.212 1.00 0.00 C ATOM 0 H VAL C 36 126.596 -2.055 -2.234 1.00 0.00 H new ATOM 0 HA VAL C 36 125.504 -4.416 -3.671 1.00 0.00 H new ATOM 0 HB VAL C 36 127.638 -2.430 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.278 -3.507 -6.792 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.800 -4.694 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.089 -4.609 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.919 -1.528 -6.129 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.698 -2.592 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.443 -1.293 -4.431 1.00 0.00 H new ATOM 319 N GLY C 37 127.393 -5.852 -2.936 1.00 0.00 N ATOM 320 CA GLY C 37 128.469 -6.734 -2.482 1.00 0.00 C ATOM 321 C GLY C 37 128.326 -7.129 -1.010 1.00 0.00 C ATOM 322 O GLY C 37 127.697 -6.415 -0.224 1.00 0.00 O ATOM 0 H GLY C 37 126.551 -6.341 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.479 -7.634 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.428 -6.237 -2.629 1.00 0.00 H new ATOM 367 N GLY E 14 132.046 -3.140 -0.188 1.00 0.00 N ATOM 368 CA GLY E 14 130.844 -2.994 -1.005 1.00 0.00 C ATOM 369 C GLY E 14 130.603 -1.550 -1.445 1.00 0.00 C ATOM 370 O GLY E 14 130.978 -0.600 -0.752 1.00 0.00 O ATOM 0 HA2 GLY E 14 130.929 -3.629 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.981 -3.347 -0.441 1.00 0.00 H new ATOM 374 N GLU E 15 129.940 -1.415 -2.599 1.00 0.00 N ATOM 375 CA GLU E 15 129.587 -0.110 -3.167 1.00 0.00 C ATOM 376 C GLU E 15 128.140 0.207 -2.809 1.00 0.00 C ATOM 377 O GLU E 15 127.267 -0.632 -2.996 1.00 0.00 O ATOM 378 CB GLU E 15 129.766 -0.155 -4.699 1.00 0.00 C ATOM 379 CG GLU E 15 129.282 1.155 -5.346 1.00 0.00 C ATOM 380 CD GLU E 15 129.468 1.093 -6.864 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.607 1.055 -7.301 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.469 1.084 -7.570 1.00 0.00 O ATOM 0 H GLU E 15 129.634 -2.207 -3.165 1.00 0.00 H new ATOM 0 HA GLU E 15 130.235 0.667 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.816 -0.319 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.208 -0.996 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.232 1.321 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.839 1.998 -4.938 1.00 0.00 H new ATOM 389 N ILE E 16 127.893 1.412 -2.287 1.00 0.00 N ATOM 390 CA ILE E 16 126.535 1.799 -1.896 1.00 0.00 C ATOM 391 C ILE E 16 125.944 2.813 -2.883 1.00 0.00 C ATOM 392 O ILE E 16 126.549 3.844 -3.187 1.00 0.00 O ATOM 393 CB ILE E 16 126.536 2.335 -0.449 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.200 1.266 0.482 1.00 0.00 C ATOM 395 CG2 ILE E 16 125.089 2.623 -0.014 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.515 1.174 1.859 1.00 0.00 C ATOM 0 H ILE E 16 128.603 2.126 -2.127 1.00 0.00 H new ATOM 0 HA ILE E 16 125.894 0.918 -1.928 1.00 0.00 H new ATOM 0 HB ILE E 16 127.105 3.262 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.162 0.291 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.253 1.513 0.620 1.00 0.00 H new ATOM 0 HG21 ILE E 16 125.085 3.002 1.008 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.651 3.367 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.505 1.704 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.015 0.418 2.464 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.576 2.140 2.361 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.468 0.899 1.727 1.00 0.00 H new ATOM 408 N VAL E 17 124.756 2.460 -3.389 1.00 0.00 N ATOM 409 CA VAL E 17 124.014 3.257 -4.375 1.00 0.00 C ATOM 410 C VAL E 17 122.773 3.918 -3.768 1.00 0.00 C ATOM 411 O VAL E 17 122.090 3.329 -2.937 1.00 0.00 O ATOM 412 CB VAL E 17 123.580 2.321 -5.526 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.533 3.004 -6.433 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.815 1.944 -6.354 1.00 0.00 C ATOM 0 H VAL E 17 124.276 1.601 -3.122 1.00 0.00 H new ATOM 0 HA VAL E 17 124.666 4.054 -4.734 1.00 0.00 H new ATOM 0 HB VAL E 17 123.125 1.427 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.246 2.323 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.653 3.262 -5.843 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.960 3.910 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.519 1.283 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.267 2.847 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.538 1.434 -5.718 1.00 0.00 H new ATOM 424 N TYR E 18 122.477 5.133 -4.243 1.00 0.00 N ATOM 425 CA TYR E 18 121.293 5.886 -3.815 1.00 0.00 C ATOM 426 C TYR E 18 120.459 6.236 -5.048 1.00 0.00 C ATOM 427 O TYR E 18 120.985 6.814 -6.002 1.00 0.00 O ATOM 428 CB TYR E 18 121.704 7.171 -3.077 1.00 0.00 C ATOM 429 CG TYR E 18 121.974 6.858 -1.631 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.126 6.160 -1.270 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.069 7.275 -0.653 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.373 5.878 0.071 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.312 7.000 0.688 1.00 0.00 C ATOM 434 CZ TYR E 18 122.468 6.298 1.056 1.00 0.00 C ATOM 435 OH TYR E 18 122.720 6.024 2.385 1.00 0.00 O ATOM 0 H TYR E 18 123.049 5.620 -4.932 1.00 0.00 H new ATOM 0 HA TYR E 18 120.706 5.275 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.594 7.599 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.913 7.917 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.825 5.839 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.177 7.813 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.263 5.335 0.353 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.613 7.326 1.443 1.00 0.00 H new ATOM 0 HH TYR E 18 122.404 6.769 2.938 1.00 0.00 H new ATOM 445 N LEU E 19 119.162 5.884 -5.025 1.00 0.00 N ATOM 446 CA LEU E 19 118.270 6.170 -6.159 1.00 0.00 C ATOM 447 C LEU E 19 117.059 7.012 -5.705 1.00 0.00 C ATOM 448 O LEU E 19 115.904 6.599 -5.868 1.00 0.00 O ATOM 449 CB LEU E 19 117.795 4.847 -6.808 1.00 0.00 C ATOM 450 CG LEU E 19 118.979 4.097 -7.462 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.630 2.608 -7.639 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.315 4.706 -8.835 1.00 0.00 C ATOM 0 H LEU E 19 118.713 5.407 -4.243 1.00 0.00 H new ATOM 0 HA LEU E 19 118.825 6.746 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.330 4.213 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.034 5.058 -7.559 1.00 0.00 H new ATOM 0 HG LEU E 19 119.846 4.194 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.471 2.090 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.421 2.165 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.751 2.514 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.150 4.164 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.446 4.631 -9.489 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.587 5.754 -8.711 1.00 0.00 H new ATOM 464 N PRO E 20 117.301 8.198 -5.162 1.00 0.00 N ATOM 465 CA PRO E 20 116.208 9.122 -4.707 1.00 0.00 C ATOM 466 C PRO E 20 115.466 9.727 -5.892 1.00 0.00 C ATOM 467 O PRO E 20 114.337 10.205 -5.758 1.00 0.00 O ATOM 468 CB PRO E 20 116.954 10.223 -3.942 1.00 0.00 C ATOM 469 CG PRO E 20 118.325 10.235 -4.526 1.00 0.00 C ATOM 470 CD PRO E 20 118.632 8.792 -4.922 1.00 0.00 C ATOM 0 HA PRO E 20 115.458 8.607 -4.107 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.465 11.189 -4.063 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.982 10.012 -2.873 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.373 10.895 -5.392 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.053 10.604 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.256 8.747 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.167 8.266 -4.131 1.00 0.00 H new ATOM 478 N ASN E 21 116.138 9.719 -7.042 1.00 0.00 N ATOM 479 CA ASN E 21 115.594 10.284 -8.268 1.00 0.00 C ATOM 480 C ASN E 21 114.668 9.306 -8.987 1.00 0.00 C ATOM 481 O ASN E 21 114.054 9.671 -9.991 1.00 0.00 O ATOM 482 CB ASN E 21 116.757 10.671 -9.192 1.00 0.00 C ATOM 483 CG ASN E 21 117.651 11.723 -8.523 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.209 12.448 -7.629 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.891 11.851 -8.905 1.00 0.00 N ATOM 0 H ASN E 21 117.071 9.321 -7.146 1.00 0.00 H new ATOM 0 HA ASN E 21 115.001 11.161 -8.008 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.346 9.786 -9.434 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.367 11.062 -10.132 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.491 12.549 -8.465 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.261 11.254 -9.644 1.00 0.00 H new ATOM 492 N LEU E 22 114.562 8.071 -8.475 1.00 0.00 N ATOM 493 CA LEU E 22 113.699 7.066 -9.092 1.00 0.00 C ATOM 494 C LEU E 22 112.362 6.995 -8.371 1.00 0.00 C ATOM 495 O LEU E 22 112.305 7.030 -7.138 1.00 0.00 O ATOM 496 CB LEU E 22 114.390 5.696 -9.066 1.00 0.00 C ATOM 497 CG LEU E 22 115.275 5.522 -10.315 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.313 6.657 -10.413 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.986 4.161 -10.239 1.00 0.00 C ATOM 0 H LEU E 22 115.059 7.751 -7.644 1.00 0.00 H new ATOM 0 HA LEU E 22 113.516 7.351 -10.128 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.997 5.604 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.642 4.904 -9.028 1.00 0.00 H new ATOM 0 HG LEU E 22 114.647 5.562 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.926 6.513 -11.302 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.799 7.616 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.949 6.646 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.615 4.029 -11.120 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.605 4.123 -9.342 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.243 3.364 -10.201 1.00 0.00 H new ATOM 511 N ASN E 23 111.293 6.884 -9.156 1.00 0.00 N ATOM 512 CA ASN E 23 109.939 6.797 -8.600 1.00 0.00 C ATOM 513 C ASN E 23 109.653 5.352 -8.157 1.00 0.00 C ATOM 514 O ASN E 23 110.383 4.435 -8.548 1.00 0.00 O ATOM 515 CB ASN E 23 108.914 7.283 -9.638 1.00 0.00 C ATOM 516 CG ASN E 23 109.015 6.459 -10.911 1.00 0.00 C ATOM 517 OD1 ASN E 23 108.773 5.260 -10.885 1.00 0.00 O ATOM 518 ND2 ASN E 23 109.359 7.036 -12.030 1.00 0.00 N ATOM 0 H ASN E 23 111.334 6.852 -10.175 1.00 0.00 H new ATOM 0 HA ASN E 23 109.858 7.441 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.907 7.207 -9.227 1.00 0.00 H new ATOM 0 HB3 ASN E 23 109.087 8.335 -9.864 1.00 0.00 H new ATOM 0 HD21 ASN E 23 109.427 6.487 -12.887 1.00 0.00 H new ATOM 0 HD22 ASN E 23 109.560 8.036 -12.047 1.00 0.00 H new ATOM 525 N PRO E 24 108.637 5.125 -7.337 1.00 0.00 N ATOM 526 CA PRO E 24 108.308 3.749 -6.835 1.00 0.00 C ATOM 527 C PRO E 24 108.173 2.722 -7.959 1.00 0.00 C ATOM 528 O PRO E 24 108.554 1.563 -7.784 1.00 0.00 O ATOM 529 CB PRO E 24 106.980 3.934 -6.090 1.00 0.00 C ATOM 530 CG PRO E 24 106.945 5.375 -5.702 1.00 0.00 C ATOM 531 CD PRO E 24 107.699 6.132 -6.795 1.00 0.00 C ATOM 0 HA PRO E 24 109.103 3.354 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.133 3.677 -6.726 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.928 3.289 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.918 5.731 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.413 5.527 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO E 24 107.022 6.503 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.228 6.996 -6.392 1.00 0.00 H new ATOM 539 N ASP E 25 107.648 3.151 -9.110 1.00 0.00 N ATOM 540 CA ASP E 25 107.495 2.248 -10.252 1.00 0.00 C ATOM 541 C ASP E 25 108.869 1.793 -10.741 1.00 0.00 C ATOM 542 O ASP E 25 109.088 0.607 -11.001 1.00 0.00 O ATOM 543 CB ASP E 25 106.757 2.953 -11.396 1.00 0.00 C ATOM 544 CG ASP E 25 106.330 1.933 -12.454 1.00 0.00 C ATOM 545 OD1 ASP E 25 105.286 1.325 -12.276 1.00 0.00 O ATOM 546 OD2 ASP E 25 107.054 1.773 -13.424 1.00 0.00 O ATOM 0 H ASP E 25 107.326 4.105 -9.274 1.00 0.00 H new ATOM 0 HA ASP E 25 106.914 1.382 -9.934 1.00 0.00 H new ATOM 0 HB2 ASP E 25 105.882 3.474 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP E 25 107.403 3.707 -11.846 1.00 0.00 H new ATOM 551 N GLN E 26 109.786 2.757 -10.860 1.00 0.00 N ATOM 552 CA GLN E 26 111.143 2.489 -11.315 1.00 0.00 C ATOM 553 C GLN E 26 111.914 1.645 -10.297 1.00 0.00 C ATOM 554 O GLN E 26 112.572 0.670 -10.673 1.00 0.00 O ATOM 555 CB GLN E 26 111.859 3.823 -11.550 1.00 0.00 C ATOM 556 CG GLN E 26 111.250 4.530 -12.772 1.00 0.00 C ATOM 557 CD GLN E 26 111.640 3.796 -14.050 1.00 0.00 C ATOM 558 OE1 GLN E 26 110.779 3.410 -14.840 1.00 0.00 O ATOM 559 NE2 GLN E 26 112.897 3.576 -14.295 1.00 0.00 N ATOM 0 H GLN E 26 109.605 3.737 -10.644 1.00 0.00 H new ATOM 0 HA GLN E 26 111.099 1.921 -12.244 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.767 4.457 -10.668 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.924 3.652 -11.710 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.164 4.563 -12.679 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.598 5.562 -12.816 1.00 0.00 H new ATOM 0 HE21 GLN E 26 113.608 3.897 -13.638 1.00 0.00 H new ATOM 0 HE22 GLN E 26 113.172 3.082 -15.144 1.00 0.00 H new ATOM 568 N LEU E 27 111.822 2.014 -9.011 1.00 0.00 N ATOM 569 CA LEU E 27 112.513 1.257 -7.962 1.00 0.00 C ATOM 570 C LEU E 27 111.946 -0.160 -7.894 1.00 0.00 C ATOM 571 O LEU E 27 112.694 -1.124 -7.734 1.00 0.00 O ATOM 572 CB LEU E 27 112.381 1.949 -6.593 1.00 0.00 C ATOM 573 CG LEU E 27 113.090 3.320 -6.607 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.884 4.034 -5.264 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.602 3.146 -6.846 1.00 0.00 C ATOM 0 H LEU E 27 111.287 2.816 -8.678 1.00 0.00 H new ATOM 0 HA LEU E 27 113.573 1.213 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.328 2.081 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.814 1.318 -5.817 1.00 0.00 H new ATOM 0 HG LEU E 27 112.661 3.913 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.388 5.000 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.818 4.184 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.299 3.425 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU E 27 115.084 4.124 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU E 27 115.028 2.536 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.765 2.655 -7.805 1.00 0.00 H new ATOM 587 N CYS E 28 110.621 -0.276 -8.040 1.00 0.00 N ATOM 588 CA CYS E 28 109.963 -1.584 -8.017 1.00 0.00 C ATOM 589 C CYS E 28 110.394 -2.410 -9.230 1.00 0.00 C ATOM 590 O CYS E 28 110.644 -3.614 -9.113 1.00 0.00 O ATOM 591 CB CYS E 28 108.440 -1.416 -8.014 1.00 0.00 C ATOM 592 SG CYS E 28 107.658 -3.038 -7.827 1.00 0.00 S ATOM 0 H CYS E 28 109.989 0.514 -8.174 1.00 0.00 H new ATOM 0 HA CYS E 28 110.259 -2.106 -7.107 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.137 -0.758 -7.200 1.00 0.00 H new ATOM 0 HB3 CYS E 28 108.113 -0.947 -8.942 1.00 0.00 H new ATOM 597 N ALA E 29 110.487 -1.745 -10.391 1.00 0.00 N ATOM 598 CA ALA E 29 110.905 -2.407 -11.631 1.00 0.00 C ATOM 599 C ALA E 29 112.333 -2.922 -11.482 1.00 0.00 C ATOM 600 O ALA E 29 112.645 -4.063 -11.845 1.00 0.00 O ATOM 601 CB ALA E 29 110.847 -1.407 -12.796 1.00 0.00 C ATOM 0 H ALA E 29 110.279 -0.752 -10.495 1.00 0.00 H new ATOM 0 HA ALA E 29 110.235 -3.242 -11.833 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.158 -1.902 -13.716 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.827 -1.039 -12.909 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.514 -0.570 -12.591 1.00 0.00 H new ATOM 607 N PHE E 30 113.182 -2.059 -10.930 1.00 0.00 N ATOM 608 CA PHE E 30 114.584 -2.380 -10.696 1.00 0.00 C ATOM 609 C PHE E 30 114.713 -3.508 -9.668 1.00 0.00 C ATOM 610 O PHE E 30 115.450 -4.463 -9.884 1.00 0.00 O ATOM 611 CB PHE E 30 115.299 -1.108 -10.208 1.00 0.00 C ATOM 612 CG PHE E 30 116.709 -1.416 -9.742 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.647 -1.958 -10.629 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.073 -1.156 -8.414 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.946 -2.236 -10.185 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.371 -1.434 -7.975 1.00 0.00 C ATOM 617 CZ PHE E 30 119.304 -1.971 -8.860 1.00 0.00 C ATOM 0 H PHE E 30 112.917 -1.120 -10.633 1.00 0.00 H new ATOM 0 HA PHE E 30 115.046 -2.727 -11.621 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.331 -0.374 -11.013 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.733 -0.660 -9.391 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.370 -2.161 -11.653 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.350 -0.740 -7.728 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.671 -2.655 -10.867 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.650 -1.233 -6.951 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.307 -2.183 -8.521 1.00 0.00 H new ATOM 627 N ILE E 31 113.996 -3.370 -8.553 1.00 0.00 N ATOM 628 CA ILE E 31 114.024 -4.360 -7.468 1.00 0.00 C ATOM 629 C ILE E 31 113.504 -5.731 -7.915 1.00 0.00 C ATOM 630 O ILE E 31 114.006 -6.759 -7.448 1.00 0.00 O ATOM 631 CB ILE E 31 113.216 -3.798 -6.278 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.077 -2.747 -5.571 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.828 -4.883 -5.261 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.246 -2.004 -4.527 1.00 0.00 C ATOM 0 H ILE E 31 113.382 -2.575 -8.373 1.00 0.00 H new ATOM 0 HA ILE E 31 115.057 -4.528 -7.164 1.00 0.00 H new ATOM 0 HB ILE E 31 112.292 -3.372 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.931 -3.227 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.475 -2.041 -6.300 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.262 -4.432 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.217 -5.640 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.730 -5.348 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.868 -1.259 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.407 -1.509 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.870 -2.713 -3.789 1.00 0.00 H new ATOM 646 N HIS E 32 112.522 -5.753 -8.818 1.00 0.00 N ATOM 647 CA HIS E 32 111.985 -7.026 -9.305 1.00 0.00 C ATOM 648 C HIS E 32 113.033 -7.713 -10.166 1.00 0.00 C ATOM 649 O HIS E 32 113.358 -8.885 -9.964 1.00 0.00 O ATOM 650 CB HIS E 32 110.706 -6.789 -10.129 1.00 0.00 C ATOM 651 CG HIS E 32 109.496 -6.899 -9.238 1.00 0.00 C ATOM 652 ND1 HIS E 32 108.805 -5.786 -8.783 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.841 -7.986 -8.716 1.00 0.00 C ATOM 654 CE1 HIS E 32 107.784 -6.226 -8.022 1.00 0.00 C ATOM 655 NE2 HIS E 32 107.761 -7.559 -7.949 1.00 0.00 N ATOM 0 H HIS E 32 112.089 -4.922 -9.221 1.00 0.00 H new ATOM 0 HA HIS E 32 111.735 -7.659 -8.453 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.739 -5.803 -10.593 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.642 -7.519 -10.936 1.00 0.00 H new ATOM 0 HD2 HIS E 32 109.121 -9.017 -8.876 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.071 -5.580 -7.531 1.00 0.00 H new ATOM 0 HE2 HIS E 32 107.095 -8.140 -7.440 1.00 0.00 H new ATOM 664 N SER E 33 113.565 -6.950 -11.113 1.00 0.00 N ATOM 665 CA SER E 33 114.596 -7.442 -12.017 1.00 0.00 C ATOM 666 C SER E 33 115.853 -7.837 -11.238 1.00 0.00 C ATOM 667 O SER E 33 116.459 -8.881 -11.499 1.00 0.00 O ATOM 668 CB SER E 33 114.930 -6.331 -13.014 1.00 0.00 C ATOM 669 OG SER E 33 113.776 -6.034 -13.790 1.00 0.00 O ATOM 0 H SER E 33 113.296 -5.980 -11.275 1.00 0.00 H new ATOM 0 HA SER E 33 114.232 -8.326 -12.541 1.00 0.00 H new ATOM 0 HB2 SER E 33 115.265 -5.440 -12.484 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.748 -6.643 -13.663 1.00 0.00 H new ATOM 0 HG SER E 33 113.218 -5.385 -13.312 1.00 0.00 H new ATOM 675 N LEU E 34 116.221 -6.984 -10.281 1.00 0.00 N ATOM 676 CA LEU E 34 117.395 -7.199 -9.434 1.00 0.00 C ATOM 677 C LEU E 34 117.272 -8.521 -8.677 1.00 0.00 C ATOM 678 O LEU E 34 118.250 -9.264 -8.543 1.00 0.00 O ATOM 679 CB LEU E 34 117.506 -6.021 -8.447 1.00 0.00 C ATOM 680 CG LEU E 34 118.729 -6.165 -7.526 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.018 -6.170 -8.363 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.755 -4.980 -6.535 1.00 0.00 C ATOM 0 H LEU E 34 115.713 -6.124 -10.071 1.00 0.00 H new ATOM 0 HA LEU E 34 118.292 -7.250 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.577 -5.086 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.600 -5.965 -7.843 1.00 0.00 H new ATOM 0 HG LEU E 34 118.663 -7.104 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.880 -6.272 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.995 -7.006 -9.062 1.00 0.00 H new ATOM 0 HD13 LEU E 34 120.095 -5.235 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.619 -5.074 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.821 -4.044 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.843 -4.985 -5.938 1.00 0.00 H new ATOM 694 N HIS E 35 116.061 -8.800 -8.191 1.00 0.00 N ATOM 695 CA HIS E 35 115.790 -10.028 -7.446 1.00 0.00 C ATOM 696 C HIS E 35 115.723 -11.248 -8.377 1.00 0.00 C ATOM 697 O HIS E 35 116.314 -12.290 -8.085 1.00 0.00 O ATOM 698 CB HIS E 35 114.464 -9.881 -6.689 1.00 0.00 C ATOM 699 CG HIS E 35 114.279 -11.053 -5.756 1.00 0.00 C ATOM 700 ND1 HIS E 35 114.854 -11.092 -4.495 1.00 0.00 N ATOM 701 CD2 HIS E 35 113.596 -12.238 -5.893 1.00 0.00 C ATOM 702 CE1 HIS E 35 114.509 -12.263 -3.928 1.00 0.00 C ATOM 703 NE2 HIS E 35 113.744 -13.000 -4.738 1.00 0.00 N ATOM 0 H HIS E 35 115.251 -8.189 -8.301 1.00 0.00 H new ATOM 0 HA HIS E 35 116.607 -10.188 -6.742 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.458 -8.949 -6.124 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.635 -9.831 -7.395 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.030 -12.533 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS E 35 114.814 -12.570 -2.938 1.00 0.00 H new ATOM 0 HE2 HIS E 35 113.352 -13.923 -4.550 1.00 0.00 H new ATOM 712 N ASP E 36 114.972 -11.113 -9.478 1.00 0.00 N ATOM 713 CA ASP E 36 114.792 -12.209 -10.440 1.00 0.00 C ATOM 714 C ASP E 36 116.119 -12.692 -11.030 1.00 0.00 C ATOM 715 O ASP E 36 116.302 -13.895 -11.236 1.00 0.00 O ATOM 716 CB ASP E 36 113.868 -11.755 -11.587 1.00 0.00 C ATOM 717 CG ASP E 36 112.433 -11.493 -11.095 1.00 0.00 C ATOM 718 OD1 ASP E 36 111.991 -12.166 -10.173 1.00 0.00 O ATOM 719 OD2 ASP E 36 111.788 -10.624 -11.661 1.00 0.00 O ATOM 0 H ASP E 36 114.479 -10.255 -9.725 1.00 0.00 H new ATOM 0 HA ASP E 36 114.345 -13.040 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.269 -10.848 -12.039 1.00 0.00 H new ATOM 0 HB3 ASP E 36 113.852 -12.518 -12.365 1.00 0.00 H new ATOM 724 N ASP E 37 117.026 -11.754 -11.322 1.00 0.00 N ATOM 725 CA ASP E 37 118.324 -12.093 -11.917 1.00 0.00 C ATOM 726 C ASP E 37 119.482 -11.550 -11.059 1.00 0.00 C ATOM 727 O ASP E 37 120.018 -10.471 -11.340 1.00 0.00 O ATOM 728 CB ASP E 37 118.391 -11.517 -13.341 1.00 0.00 C ATOM 729 CG ASP E 37 117.475 -12.315 -14.272 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.270 -12.255 -14.082 1.00 0.00 O ATOM 731 OD2 ASP E 37 117.991 -12.976 -15.161 1.00 0.00 O ATOM 0 H ASP E 37 116.887 -10.757 -11.157 1.00 0.00 H new ATOM 0 HA ASP E 37 118.425 -13.178 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.091 -10.469 -13.333 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.417 -11.552 -13.709 1.00 0.00 H new ATOM 736 N PRO E 38 119.876 -12.270 -10.019 1.00 0.00 N ATOM 737 CA PRO E 38 120.988 -11.837 -9.116 1.00 0.00 C ATOM 738 C PRO E 38 122.344 -11.823 -9.831 1.00 0.00 C ATOM 739 O PRO E 38 123.205 -10.997 -9.520 1.00 0.00 O ATOM 740 CB PRO E 38 120.970 -12.863 -7.974 1.00 0.00 C ATOM 741 CG PRO E 38 120.285 -14.069 -8.528 1.00 0.00 C ATOM 742 CD PRO E 38 119.312 -13.570 -9.595 1.00 0.00 C ATOM 0 HA PRO E 38 120.848 -10.815 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO E 38 121.982 -13.103 -7.647 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.438 -12.474 -7.106 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.009 -14.762 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.755 -14.608 -7.743 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.245 -14.267 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.305 -13.456 -9.194 1.00 0.00 H new ATOM 750 N SER E 39 122.519 -12.742 -10.785 1.00 0.00 N ATOM 751 CA SER E 39 123.771 -12.833 -11.546 1.00 0.00 C ATOM 752 C SER E 39 124.029 -11.540 -12.326 1.00 0.00 C ATOM 753 O SER E 39 125.178 -11.123 -12.486 1.00 0.00 O ATOM 754 CB SER E 39 123.709 -14.019 -12.516 1.00 0.00 C ATOM 755 OG SER E 39 124.993 -14.226 -13.097 1.00 0.00 O ATOM 0 H SER E 39 121.814 -13.431 -11.049 1.00 0.00 H new ATOM 0 HA SER E 39 124.590 -12.983 -10.842 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.388 -14.917 -11.989 1.00 0.00 H new ATOM 0 HB3 SER E 39 122.972 -13.826 -13.296 1.00 0.00 H new ATOM 0 HG SER E 39 124.954 -14.985 -13.716 1.00 0.00 H new ATOM 761 N GLN E 40 122.945 -10.923 -12.807 1.00 0.00 N ATOM 762 CA GLN E 40 123.028 -9.676 -13.579 1.00 0.00 C ATOM 763 C GLN E 40 122.912 -8.450 -12.672 1.00 0.00 C ATOM 764 O GLN E 40 122.693 -7.342 -13.155 1.00 0.00 O ATOM 765 CB GLN E 40 121.887 -9.624 -14.602 1.00 0.00 C ATOM 766 CG GLN E 40 122.016 -10.771 -15.608 1.00 0.00 C ATOM 767 CD GLN E 40 120.965 -10.625 -16.708 1.00 0.00 C ATOM 768 OE1 GLN E 40 121.153 -9.853 -17.648 1.00 0.00 O ATOM 769 NE2 GLN E 40 119.863 -11.321 -16.649 1.00 0.00 N ATOM 0 H GLN E 40 121.994 -11.268 -12.675 1.00 0.00 H new ATOM 0 HA GLN E 40 123.997 -9.661 -14.078 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.927 -9.689 -14.089 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.904 -8.669 -15.127 1.00 0.00 H new ATOM 0 HG2 GLN E 40 123.014 -10.771 -16.046 1.00 0.00 H new ATOM 0 HG3 GLN E 40 121.891 -11.727 -15.099 1.00 0.00 H new ATOM 0 HE21 GLN E 40 119.705 -11.961 -15.871 1.00 0.00 H new ATOM 0 HE22 GLN E 40 119.159 -11.225 -17.381 1.00 0.00 H new ATOM 778 N SER E 41 123.035 -8.658 -11.361 1.00 0.00 N ATOM 779 CA SER E 41 122.906 -7.565 -10.391 1.00 0.00 C ATOM 780 C SER E 41 123.713 -6.324 -10.786 1.00 0.00 C ATOM 781 O SER E 41 123.207 -5.206 -10.687 1.00 0.00 O ATOM 782 CB SER E 41 123.372 -8.054 -9.023 1.00 0.00 C ATOM 783 OG SER E 41 122.309 -8.744 -8.377 1.00 0.00 O ATOM 0 H SER E 41 123.223 -9.570 -10.945 1.00 0.00 H new ATOM 0 HA SER E 41 121.856 -7.273 -10.365 1.00 0.00 H new ATOM 0 HB2 SER E 41 124.233 -8.714 -9.135 1.00 0.00 H new ATOM 0 HB3 SER E 41 123.695 -7.210 -8.414 1.00 0.00 H new ATOM 0 HG SER E 41 122.510 -9.703 -8.351 1.00 0.00 H new ATOM 789 N ALA E 42 124.956 -6.521 -11.227 1.00 0.00 N ATOM 790 CA ALA E 42 125.803 -5.393 -11.621 1.00 0.00 C ATOM 791 C ALA E 42 125.260 -4.698 -12.871 1.00 0.00 C ATOM 792 O ALA E 42 125.151 -3.467 -12.906 1.00 0.00 O ATOM 793 CB ALA E 42 127.233 -5.876 -11.881 1.00 0.00 C ATOM 0 H ALA E 42 125.395 -7.437 -11.320 1.00 0.00 H new ATOM 0 HA ALA E 42 125.803 -4.673 -10.802 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.855 -5.030 -12.173 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.636 -6.326 -10.974 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.227 -6.616 -12.681 1.00 0.00 H new ATOM 799 N ASN E 43 124.923 -5.492 -13.893 1.00 0.00 N ATOM 800 CA ASN E 43 124.395 -4.941 -15.143 1.00 0.00 C ATOM 801 C ASN E 43 123.067 -4.229 -14.910 1.00 0.00 C ATOM 802 O ASN E 43 122.862 -3.120 -15.400 1.00 0.00 O ATOM 803 CB ASN E 43 124.201 -6.061 -16.175 1.00 0.00 C ATOM 804 CG ASN E 43 125.554 -6.516 -16.712 1.00 0.00 C ATOM 805 OD1 ASN E 43 125.965 -7.654 -16.491 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.271 -5.685 -17.416 1.00 0.00 N ATOM 0 H ASN E 43 125.006 -6.509 -13.879 1.00 0.00 H new ATOM 0 HA ASN E 43 125.117 -4.217 -15.522 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.681 -6.902 -15.717 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.576 -5.707 -16.995 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.176 -5.978 -17.785 1.00 0.00 H new ATOM 0 HD22 ASN E 43 125.927 -4.742 -17.598 1.00 0.00 H new ATOM 813 N LEU E 44 122.178 -4.881 -14.161 1.00 0.00 N ATOM 814 CA LEU E 44 120.861 -4.324 -13.859 1.00 0.00 C ATOM 815 C LEU E 44 120.993 -3.005 -13.114 1.00 0.00 C ATOM 816 O LEU E 44 120.253 -2.056 -13.386 1.00 0.00 O ATOM 817 CB LEU E 44 120.055 -5.314 -13.009 1.00 0.00 C ATOM 818 CG LEU E 44 119.766 -6.588 -13.819 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.243 -7.683 -12.885 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.719 -6.289 -14.902 1.00 0.00 C ATOM 0 H LEU E 44 122.348 -5.799 -13.751 1.00 0.00 H new ATOM 0 HA LEU E 44 120.341 -4.145 -14.800 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.610 -5.566 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.119 -4.855 -12.691 1.00 0.00 H new ATOM 0 HG LEU E 44 120.686 -6.928 -14.295 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.039 -8.586 -13.461 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.992 -7.900 -12.124 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.325 -7.344 -12.405 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.518 -7.195 -15.473 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.798 -5.944 -14.432 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.097 -5.515 -15.570 1.00 0.00 H new ATOM 832 N LEU E 45 121.948 -2.947 -12.178 1.00 0.00 N ATOM 833 CA LEU E 45 122.176 -1.725 -11.406 1.00 0.00 C ATOM 834 C LEU E 45 122.640 -0.620 -12.341 1.00 0.00 C ATOM 835 O LEU E 45 122.162 0.508 -12.250 1.00 0.00 O ATOM 836 CB LEU E 45 123.234 -1.963 -10.313 1.00 0.00 C ATOM 837 CG LEU E 45 122.969 -1.083 -9.071 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.133 -1.246 -8.090 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.813 0.403 -9.466 1.00 0.00 C ATOM 0 H LEU E 45 122.567 -3.722 -11.941 1.00 0.00 H new ATOM 0 HA LEU E 45 121.243 -1.432 -10.924 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.230 -3.014 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.225 -1.745 -10.710 1.00 0.00 H new ATOM 0 HG LEU E 45 122.038 -1.403 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.956 -0.629 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.213 -2.291 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU E 45 125.060 -0.935 -8.571 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.627 0.999 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.727 0.749 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.975 0.510 -10.155 1.00 0.00 H new ATOM 851 N ALA E 46 123.546 -0.970 -13.265 1.00 0.00 N ATOM 852 CA ALA E 46 124.066 -0.001 -14.232 1.00 0.00 C ATOM 853 C ALA E 46 122.914 0.733 -14.910 1.00 0.00 C ATOM 854 O ALA E 46 122.995 1.935 -15.156 1.00 0.00 O ATOM 855 CB ALA E 46 124.910 -0.722 -15.292 1.00 0.00 C ATOM 0 H ALA E 46 123.930 -1.910 -13.361 1.00 0.00 H new ATOM 0 HA ALA E 46 124.689 0.721 -13.704 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.293 0.005 -16.008 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.744 -1.230 -14.809 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.292 -1.453 -15.813 1.00 0.00 H new ATOM 861 N GLU E 47 121.835 0.000 -15.178 1.00 0.00 N ATOM 862 CA GLU E 47 120.652 0.585 -15.805 1.00 0.00 C ATOM 863 C GLU E 47 119.986 1.558 -14.859 1.00 0.00 C ATOM 864 O GLU E 47 119.490 2.607 -15.277 1.00 0.00 O ATOM 865 CB GLU E 47 119.630 -0.499 -16.142 1.00 0.00 C ATOM 866 CG GLU E 47 120.342 -1.685 -16.758 1.00 0.00 C ATOM 867 CD GLU E 47 119.338 -2.628 -17.425 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.561 -3.234 -16.707 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.361 -2.728 -18.641 1.00 0.00 O ATOM 0 H GLU E 47 121.756 -0.996 -14.972 1.00 0.00 H new ATOM 0 HA GLU E 47 120.978 1.092 -16.713 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.099 -0.807 -15.241 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.884 -0.109 -16.834 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.068 -1.339 -17.494 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.898 -2.222 -15.989 1.00 0.00 H new ATOM 876 N ALA E 48 119.961 1.187 -13.578 1.00 0.00 N ATOM 877 CA ALA E 48 119.336 2.016 -12.584 1.00 0.00 C ATOM 878 C ALA E 48 120.171 3.265 -12.365 1.00 0.00 C ATOM 879 O ALA E 48 119.634 4.339 -12.104 1.00 0.00 O ATOM 880 CB ALA E 48 119.126 1.261 -11.274 1.00 0.00 C ATOM 0 H ALA E 48 120.367 0.322 -13.221 1.00 0.00 H new ATOM 0 HA ALA E 48 118.349 2.306 -12.946 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.651 1.920 -10.547 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.487 0.396 -11.451 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.089 0.928 -10.888 1.00 0.00 H new ATOM 886 N LYS E 49 121.498 3.125 -12.497 1.00 0.00 N ATOM 887 CA LYS E 49 122.390 4.270 -12.333 1.00 0.00 C ATOM 888 C LYS E 49 122.134 5.243 -13.474 1.00 0.00 C ATOM 889 O LYS E 49 121.997 6.452 -13.265 1.00 0.00 O ATOM 890 CB LYS E 49 123.859 3.842 -12.317 1.00 0.00 C ATOM 891 CG LYS E 49 124.024 2.648 -11.382 1.00 0.00 C ATOM 892 CD LYS E 49 125.373 2.691 -10.675 1.00 0.00 C ATOM 893 CE LYS E 49 125.796 1.272 -10.258 1.00 0.00 C ATOM 894 NZ LYS E 49 127.284 1.198 -10.156 1.00 0.00 N ATOM 0 H LYS E 49 121.966 2.245 -12.713 1.00 0.00 H new ATOM 0 HA LYS E 49 122.186 4.747 -11.374 1.00 0.00 H new ATOM 0 HB2 LYS E 49 124.184 3.579 -13.323 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.487 4.669 -11.985 1.00 0.00 H new ATOM 0 HG2 LYS E 49 123.222 2.646 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.936 1.722 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS E 49 126.125 3.124 -11.335 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.312 3.334 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS E 49 125.343 1.014 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.436 0.546 -10.987 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.622 0.337 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.705 2.033 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.562 1.172 -9.154 1.00 0.00 H new ATOM 908 N LYS E 50 121.997 4.675 -14.678 1.00 0.00 N ATOM 909 CA LYS E 50 121.663 5.469 -15.861 1.00 0.00 C ATOM 910 C LYS E 50 120.322 6.150 -15.597 1.00 0.00 C ATOM 911 O LYS E 50 120.103 7.295 -15.987 1.00 0.00 O ATOM 912 CB LYS E 50 121.550 4.573 -17.105 1.00 0.00 C ATOM 913 CG LYS E 50 122.934 4.048 -17.514 1.00 0.00 C ATOM 914 CD LYS E 50 122.790 3.104 -18.721 1.00 0.00 C ATOM 915 CE LYS E 50 124.010 2.180 -18.818 1.00 0.00 C ATOM 916 NZ LYS E 50 125.249 2.996 -18.969 1.00 0.00 N ATOM 0 H LYS E 50 122.112 3.677 -14.856 1.00 0.00 H new ATOM 0 HA LYS E 50 122.446 6.204 -16.047 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.883 3.736 -16.899 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.110 5.136 -17.928 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.590 4.881 -17.767 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.396 3.520 -16.679 1.00 0.00 H new ATOM 0 HD2 LYS E 50 121.882 2.510 -18.621 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.691 3.686 -19.637 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.079 1.558 -17.925 1.00 0.00 H new ATOM 0 HE3 LYS E 50 123.901 1.506 -19.668 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 126.041 2.378 -19.237 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 125.104 3.713 -19.708 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 125.466 3.467 -18.068 1.00 0.00 H new ATOM 930 N LEU E 51 119.451 5.420 -14.886 1.00 0.00 N ATOM 931 CA LEU E 51 118.134 5.924 -14.500 1.00 0.00 C ATOM 932 C LEU E 51 118.304 7.065 -13.498 1.00 0.00 C ATOM 933 O LEU E 51 117.600 8.074 -13.566 1.00 0.00 O ATOM 934 CB LEU E 51 117.330 4.791 -13.841 1.00 0.00 C ATOM 935 CG LEU E 51 116.045 4.445 -14.607 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.046 5.612 -14.543 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.361 4.083 -16.071 1.00 0.00 C ATOM 0 H LEU E 51 119.642 4.470 -14.566 1.00 0.00 H new ATOM 0 HA LEU E 51 117.607 6.285 -15.383 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.956 3.901 -13.771 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.073 5.080 -12.822 1.00 0.00 H new ATOM 0 HG LEU E 51 115.590 3.576 -14.132 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.142 5.348 -15.092 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.792 5.817 -13.503 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.494 6.500 -14.989 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.436 3.842 -16.594 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.843 4.930 -16.559 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.028 3.221 -16.097 1.00 0.00 H new ATOM 949 N ASN E 52 119.265 6.888 -12.570 1.00 0.00 N ATOM 950 CA ASN E 52 119.557 7.900 -11.552 1.00 0.00 C ATOM 951 C ASN E 52 119.892 9.219 -12.250 1.00 0.00 C ATOM 952 O ASN E 52 119.477 10.297 -11.811 1.00 0.00 O ATOM 953 CB ASN E 52 120.736 7.442 -10.655 1.00 0.00 C ATOM 954 CG ASN E 52 120.832 8.343 -9.422 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.890 8.423 -8.633 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.921 9.028 -9.208 1.00 0.00 N ATOM 0 H ASN E 52 119.848 6.053 -12.510 1.00 0.00 H new ATOM 0 HA ASN E 52 118.686 8.038 -10.912 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.590 6.406 -10.349 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.669 7.480 -11.218 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.992 9.630 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.702 8.962 -9.861 1.00 0.00 H new ATOM 963 N ASP E 53 120.611 9.099 -13.372 1.00 0.00 N ATOM 964 CA ASP E 53 120.977 10.252 -14.192 1.00 0.00 C ATOM 965 C ASP E 53 119.796 10.664 -15.085 1.00 0.00 C ATOM 966 O ASP E 53 119.625 11.842 -15.406 1.00 0.00 O ATOM 967 CB ASP E 53 122.189 9.903 -15.066 1.00 0.00 C ATOM 968 CG ASP E 53 122.662 11.141 -15.832 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.405 11.921 -15.259 1.00 0.00 O ATOM 970 OD2 ASP E 53 122.270 11.293 -16.979 1.00 0.00 O ATOM 0 H ASP E 53 120.951 8.207 -13.732 1.00 0.00 H new ATOM 0 HA ASP E 53 121.232 11.084 -13.536 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.998 9.521 -14.443 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.925 9.111 -15.767 1.00 0.00 H new ATOM 975 N ALA E 54 119.003 9.665 -15.494 1.00 0.00 N ATOM 976 CA ALA E 54 117.843 9.886 -16.370 1.00 0.00 C ATOM 977 C ALA E 54 116.739 10.686 -15.676 1.00 0.00 C ATOM 978 O ALA E 54 115.993 11.414 -16.336 1.00 0.00 O ATOM 979 CB ALA E 54 117.266 8.534 -16.824 1.00 0.00 C ATOM 0 H ALA E 54 119.144 8.690 -15.231 1.00 0.00 H new ATOM 0 HA ALA E 54 118.193 10.461 -17.227 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.407 8.704 -17.473 1.00 0.00 H new ATOM 0 HB2 ALA E 54 118.028 7.978 -17.370 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.954 7.960 -15.951 1.00 0.00 H new ATOM 985 N GLN E 55 116.629 10.528 -14.353 1.00 0.00 N ATOM 986 CA GLN E 55 115.594 11.221 -13.569 1.00 0.00 C ATOM 987 C GLN E 55 116.224 12.177 -12.563 1.00 0.00 C ATOM 988 O GLN E 55 115.546 12.714 -11.680 1.00 0.00 O ATOM 989 CB GLN E 55 114.703 10.191 -12.863 1.00 0.00 C ATOM 990 CG GLN E 55 114.061 9.287 -13.930 1.00 0.00 C ATOM 991 CD GLN E 55 112.962 8.395 -13.342 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.361 7.606 -14.068 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.651 8.471 -12.076 1.00 0.00 N ATOM 0 H GLN E 55 117.242 9.928 -13.801 1.00 0.00 H new ATOM 0 HA GLN E 55 114.978 11.814 -14.245 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.292 9.595 -12.166 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.932 10.694 -12.279 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.640 9.905 -14.723 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.829 8.663 -14.386 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.146 9.123 -11.468 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.914 7.878 -11.696 1.00 0.00 H new ATOM 1002 N ALA E 56 117.528 12.375 -12.719 1.00 0.00 N ATOM 1003 CA ALA E 56 118.301 13.243 -11.861 1.00 0.00 C ATOM 1004 C ALA E 56 117.755 14.673 -11.856 1.00 0.00 C ATOM 1005 O ALA E 56 116.981 15.065 -12.736 1.00 0.00 O ATOM 1006 CB ALA E 56 119.760 13.229 -12.327 1.00 0.00 C ATOM 0 H ALA E 56 118.077 11.930 -13.454 1.00 0.00 H new ATOM 0 HA ALA E 56 118.232 12.872 -10.838 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.353 13.881 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.150 12.213 -12.271 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.817 13.583 -13.356 1.00 0.00 H new ATOM 1013 N GLY F 14 120.206 10.781 8.706 1.00 0.00 N ATOM 1014 CA GLY F 14 119.508 10.370 9.928 1.00 0.00 C ATOM 1015 C GLY F 14 119.680 8.882 10.187 1.00 0.00 C ATOM 1016 O GLY F 14 120.740 8.309 9.917 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.892 10.936 10.777 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.447 10.606 9.841 1.00 0.00 H new ATOM 1020 N GLU F 15 118.620 8.263 10.710 1.00 0.00 N ATOM 1021 CA GLU F 15 118.634 6.841 11.006 1.00 0.00 C ATOM 1022 C GLU F 15 118.533 6.046 9.720 1.00 0.00 C ATOM 1023 O GLU F 15 117.806 6.428 8.803 1.00 0.00 O ATOM 1024 CB GLU F 15 117.447 6.471 11.890 1.00 0.00 C ATOM 1025 CG GLU F 15 117.668 5.079 12.481 1.00 0.00 C ATOM 1026 CD GLU F 15 116.474 4.675 13.351 1.00 0.00 C ATOM 1027 OE1 GLU F 15 116.281 5.300 14.382 1.00 0.00 O ATOM 1028 OE2 GLU F 15 115.771 3.750 12.974 1.00 0.00 O ATOM 0 H GLU F 15 117.742 8.731 10.935 1.00 0.00 H new ATOM 0 HA GLU F 15 119.566 6.610 11.522 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.333 7.203 12.689 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.526 6.489 11.307 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.804 4.353 11.679 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.580 5.070 13.077 1.00 0.00 H new ATOM 1035 N ILE F 16 119.251 4.936 9.675 1.00 0.00 N ATOM 1036 CA ILE F 16 119.241 4.064 8.512 1.00 0.00 C ATOM 1037 C ILE F 16 118.667 2.700 8.880 1.00 0.00 C ATOM 1038 O ILE F 16 118.914 2.184 9.974 1.00 0.00 O ATOM 1039 CB ILE F 16 120.659 3.912 7.972 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.180 5.276 7.475 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.663 2.894 6.819 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.649 5.156 7.044 1.00 0.00 C ATOM 0 H ILE F 16 119.851 4.616 10.435 1.00 0.00 H new ATOM 0 HA ILE F 16 118.612 4.507 7.740 1.00 0.00 H new ATOM 0 HB ILE F 16 121.313 3.555 8.768 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.574 5.622 6.637 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.085 6.020 8.266 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.677 2.785 6.433 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.308 1.930 7.184 1.00 0.00 H new ATOM 0 HG23 ILE F 16 120.007 3.244 6.022 1.00 0.00 H new ATOM 0 HD11 ILE F 16 123.006 6.125 6.695 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.252 4.831 7.892 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.733 4.427 6.238 1.00 0.00 H new ATOM 1054 N VAL F 17 117.895 2.141 7.950 1.00 0.00 N ATOM 1055 CA VAL F 17 117.250 0.844 8.135 1.00 0.00 C ATOM 1056 C VAL F 17 117.605 -0.090 6.975 1.00 0.00 C ATOM 1057 O VAL F 17 117.257 0.194 5.831 1.00 0.00 O ATOM 1058 CB VAL F 17 115.732 1.091 8.187 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.944 -0.199 7.905 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.353 1.636 9.572 1.00 0.00 C ATOM 0 H VAL F 17 117.700 2.575 7.048 1.00 0.00 H new ATOM 0 HA VAL F 17 117.589 0.369 9.056 1.00 0.00 H new ATOM 0 HB VAL F 17 115.476 1.817 7.416 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.875 0.010 7.949 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.200 -0.572 6.913 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.198 -0.951 8.652 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.278 1.812 9.612 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.631 0.911 10.337 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.881 2.573 9.751 1.00 0.00 H new ATOM 1070 N TYR F 18 118.281 -1.206 7.287 1.00 0.00 N ATOM 1071 CA TYR F 18 118.672 -2.184 6.264 1.00 0.00 C ATOM 1072 C TYR F 18 117.618 -3.271 6.134 1.00 0.00 C ATOM 1073 O TYR F 18 117.107 -3.777 7.136 1.00 0.00 O ATOM 1074 CB TYR F 18 120.044 -2.801 6.615 1.00 0.00 C ATOM 1075 CG TYR F 18 121.152 -2.015 5.934 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.091 -0.616 5.885 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.229 -2.683 5.335 1.00 0.00 C ATOM 1078 CE1 TYR F 18 122.091 0.109 5.243 1.00 0.00 C ATOM 1079 CE2 TYR F 18 123.234 -1.952 4.691 1.00 0.00 C ATOM 1080 CZ TYR F 18 123.164 -0.556 4.643 1.00 0.00 C ATOM 1081 OH TYR F 18 124.156 0.164 4.008 1.00 0.00 O ATOM 0 H TYR F 18 118.566 -1.452 8.235 1.00 0.00 H new ATOM 0 HA TYR F 18 118.754 -1.671 5.306 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.191 -2.793 7.695 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.076 -3.843 6.297 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.264 -0.098 6.348 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.283 -3.761 5.370 1.00 0.00 H new ATOM 0 HE1 TYR F 18 122.038 1.187 5.208 1.00 0.00 H new ATOM 0 HE2 TYR F 18 124.064 -2.467 4.231 1.00 0.00 H new ATOM 0 HH TYR F 18 123.797 0.561 3.187 1.00 0.00 H new ATOM 1091 N LEU F 19 117.281 -3.595 4.879 1.00 0.00 N ATOM 1092 CA LEU F 19 116.249 -4.600 4.584 1.00 0.00 C ATOM 1093 C LEU F 19 116.806 -5.742 3.709 1.00 0.00 C ATOM 1094 O LEU F 19 116.581 -5.768 2.494 1.00 0.00 O ATOM 1095 CB LEU F 19 115.061 -3.913 3.873 1.00 0.00 C ATOM 1096 CG LEU F 19 114.677 -2.607 4.594 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.712 -1.804 3.717 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.008 -2.936 5.937 1.00 0.00 C ATOM 0 H LEU F 19 117.707 -3.177 4.052 1.00 0.00 H new ATOM 0 HA LEU F 19 115.915 -5.041 5.523 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.325 -3.699 2.837 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.205 -4.587 3.851 1.00 0.00 H new ATOM 0 HG LEU F 19 115.574 -2.016 4.777 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.440 -0.880 4.227 1.00 0.00 H new ATOM 0 HD12 LEU F 19 114.194 -1.567 2.769 1.00 0.00 H new ATOM 0 HD13 LEU F 19 112.814 -2.393 3.530 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.737 -2.010 6.445 1.00 0.00 H new ATOM 0 HD22 LEU F 19 113.111 -3.529 5.761 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.701 -3.502 6.559 1.00 0.00 H new ATOM 1110 N PRO F 20 117.526 -6.685 4.301 1.00 0.00 N ATOM 1111 CA PRO F 20 118.118 -7.843 3.557 1.00 0.00 C ATOM 1112 C PRO F 20 117.117 -8.981 3.309 1.00 0.00 C ATOM 1113 O PRO F 20 116.979 -9.456 2.179 1.00 0.00 O ATOM 1114 CB PRO F 20 119.251 -8.301 4.479 1.00 0.00 C ATOM 1115 CG PRO F 20 118.789 -7.964 5.860 1.00 0.00 C ATOM 1116 CD PRO F 20 117.863 -6.749 5.739 1.00 0.00 C ATOM 0 HA PRO F 20 118.445 -7.558 2.557 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.436 -9.370 4.375 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.184 -7.791 4.240 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.262 -8.807 6.307 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.637 -7.739 6.506 1.00 0.00 H new ATOM 0 HD2 PRO F 20 116.969 -6.868 6.352 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.359 -5.837 6.072 1.00 0.00 H new ATOM 1124 N ASN F 21 116.442 -9.425 4.378 1.00 0.00 N ATOM 1125 CA ASN F 21 115.469 -10.529 4.285 1.00 0.00 C ATOM 1126 C ASN F 21 114.090 -10.047 3.805 1.00 0.00 C ATOM 1127 O ASN F 21 113.124 -10.817 3.802 1.00 0.00 O ATOM 1128 CB ASN F 21 115.331 -11.213 5.656 1.00 0.00 C ATOM 1129 CG ASN F 21 116.667 -11.823 6.095 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.426 -12.337 5.271 1.00 0.00 O ATOM 1131 ND2 ASN F 21 116.996 -11.802 7.356 1.00 0.00 N ATOM 0 H ASN F 21 116.549 -9.040 5.316 1.00 0.00 H new ATOM 0 HA ASN F 21 115.844 -11.238 3.547 1.00 0.00 H new ATOM 0 HB2 ASN F 21 114.996 -10.488 6.397 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.570 -11.991 5.604 1.00 0.00 H new ATOM 0 HD21 ASN F 21 117.880 -12.210 7.659 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.369 -11.377 8.040 1.00 0.00 H new ATOM 1138 N LEU F 22 114.012 -8.783 3.392 1.00 0.00 N ATOM 1139 CA LEU F 22 112.758 -8.203 2.900 1.00 0.00 C ATOM 1140 C LEU F 22 112.439 -8.770 1.508 1.00 0.00 C ATOM 1141 O LEU F 22 113.342 -8.904 0.676 1.00 0.00 O ATOM 1142 CB LEU F 22 112.919 -6.667 2.826 1.00 0.00 C ATOM 1143 CG LEU F 22 111.663 -5.927 3.350 1.00 0.00 C ATOM 1144 CD1 LEU F 22 110.424 -6.351 2.548 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.474 -6.200 4.859 1.00 0.00 C ATOM 0 H LEU F 22 114.802 -8.138 3.387 1.00 0.00 H new ATOM 0 HA LEU F 22 111.939 -8.453 3.574 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.788 -6.365 3.410 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.110 -6.372 1.794 1.00 0.00 H new ATOM 0 HG LEU F 22 111.800 -4.854 3.216 1.00 0.00 H new ATOM 0 HD11 LEU F 22 109.548 -5.824 2.926 1.00 0.00 H new ATOM 0 HD12 LEU F 22 110.570 -6.105 1.496 1.00 0.00 H new ATOM 0 HD13 LEU F 22 110.274 -7.426 2.652 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.588 -5.675 5.216 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.351 -7.271 5.022 1.00 0.00 H new ATOM 0 HD23 LEU F 22 112.349 -5.848 5.405 1.00 0.00 H new ATOM 1157 N ASN F 23 111.158 -9.094 1.250 1.00 0.00 N ATOM 1158 CA ASN F 23 110.767 -9.635 -0.057 1.00 0.00 C ATOM 1159 C ASN F 23 110.701 -8.497 -1.079 1.00 0.00 C ATOM 1160 O ASN F 23 110.401 -7.362 -0.713 1.00 0.00 O ATOM 1161 CB ASN F 23 109.405 -10.340 0.043 1.00 0.00 C ATOM 1162 CG ASN F 23 109.583 -11.748 0.604 1.00 0.00 C ATOM 1163 OD1 ASN F 23 109.365 -12.734 -0.101 1.00 0.00 O ATOM 1164 ND2 ASN F 23 109.969 -11.901 1.838 1.00 0.00 N ATOM 0 H ASN F 23 110.393 -8.992 1.917 1.00 0.00 H new ATOM 0 HA ASN F 23 111.509 -10.366 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.736 -9.766 0.685 1.00 0.00 H new ATOM 0 HB3 ASN F 23 108.939 -10.389 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN F 23 110.091 -12.838 2.222 1.00 0.00 H new ATOM 0 HD22 ASN F 23 110.149 -11.084 2.421 1.00 0.00 H new ATOM 1171 N PRO F 24 110.988 -8.752 -2.339 1.00 0.00 N ATOM 1172 CA PRO F 24 110.960 -7.676 -3.374 1.00 0.00 C ATOM 1173 C PRO F 24 109.555 -7.118 -3.571 1.00 0.00 C ATOM 1174 O PRO F 24 109.370 -5.899 -3.642 1.00 0.00 O ATOM 1175 CB PRO F 24 111.484 -8.361 -4.640 1.00 0.00 C ATOM 1176 CG PRO F 24 111.238 -9.817 -4.426 1.00 0.00 C ATOM 1177 CD PRO F 24 111.357 -10.056 -2.921 1.00 0.00 C ATOM 0 HA PRO F 24 111.563 -6.813 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.964 -8.000 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.545 -8.158 -4.787 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.250 -10.102 -4.788 1.00 0.00 H new ATOM 0 HG3 PRO F 24 111.964 -10.418 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.689 -10.849 -2.586 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.368 -10.350 -2.639 1.00 0.00 H new ATOM 1185 N ASP F 25 108.565 -8.015 -3.617 1.00 0.00 N ATOM 1186 CA ASP F 25 107.167 -7.594 -3.753 1.00 0.00 C ATOM 1187 C ASP F 25 106.809 -6.738 -2.545 1.00 0.00 C ATOM 1188 O ASP F 25 106.101 -5.733 -2.654 1.00 0.00 O ATOM 1189 CB ASP F 25 106.241 -8.819 -3.823 1.00 0.00 C ATOM 1190 CG ASP F 25 106.547 -9.648 -5.072 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.319 -9.149 -6.162 1.00 0.00 O ATOM 1192 OD2 ASP F 25 107.001 -10.773 -4.921 1.00 0.00 O ATOM 0 H ASP F 25 108.702 -9.024 -3.563 1.00 0.00 H new ATOM 0 HA ASP F 25 107.040 -7.023 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.370 -9.432 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.200 -8.496 -3.839 1.00 0.00 H new ATOM 1197 N GLN F 26 107.350 -7.149 -1.397 1.00 0.00 N ATOM 1198 CA GLN F 26 107.152 -6.440 -0.149 1.00 0.00 C ATOM 1199 C GLN F 26 107.875 -5.085 -0.196 1.00 0.00 C ATOM 1200 O GLN F 26 107.359 -4.081 0.303 1.00 0.00 O ATOM 1201 CB GLN F 26 107.665 -7.314 1.000 1.00 0.00 C ATOM 1202 CG GLN F 26 107.218 -6.745 2.347 1.00 0.00 C ATOM 1203 CD GLN F 26 105.707 -6.899 2.513 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.194 -8.018 2.531 1.00 0.00 O ATOM 1205 NE2 GLN F 26 104.960 -5.836 2.637 1.00 0.00 N ATOM 0 H GLN F 26 107.935 -7.981 -1.315 1.00 0.00 H new ATOM 0 HA GLN F 26 106.092 -6.240 0.011 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.290 -8.331 0.886 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.753 -7.369 0.965 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.734 -7.261 3.157 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.493 -5.692 2.414 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.385 -4.909 2.622 1.00 0.00 H new ATOM 0 HE22 GLN F 26 103.951 -5.932 2.749 1.00 0.00 H new ATOM 1214 N LEU F 27 109.066 -5.063 -0.825 1.00 0.00 N ATOM 1215 CA LEU F 27 109.845 -3.824 -0.957 1.00 0.00 C ATOM 1216 C LEU F 27 109.074 -2.795 -1.781 1.00 0.00 C ATOM 1217 O LEU F 27 109.061 -1.614 -1.440 1.00 0.00 O ATOM 1218 CB LEU F 27 111.210 -4.087 -1.628 1.00 0.00 C ATOM 1219 CG LEU F 27 112.263 -4.504 -0.582 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.456 -5.178 -1.281 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.763 -3.265 0.180 1.00 0.00 C ATOM 0 H LEU F 27 109.504 -5.883 -1.245 1.00 0.00 H new ATOM 0 HA LEU F 27 110.016 -3.438 0.048 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.106 -4.871 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.543 -3.189 -2.148 1.00 0.00 H new ATOM 0 HG LEU F 27 111.805 -5.204 0.117 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.196 -5.470 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.112 -6.063 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU F 27 113.907 -4.479 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.507 -3.567 0.917 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.212 -2.563 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU F 27 111.925 -2.786 0.686 1.00 0.00 H new ATOM 1233 N CYS F 28 108.427 -3.247 -2.865 1.00 0.00 N ATOM 1234 CA CYS F 28 107.652 -2.338 -3.719 1.00 0.00 C ATOM 1235 C CYS F 28 106.577 -1.640 -2.890 1.00 0.00 C ATOM 1236 O CYS F 28 106.332 -0.440 -3.053 1.00 0.00 O ATOM 1237 CB CYS F 28 107.000 -3.111 -4.872 1.00 0.00 C ATOM 1238 SG CYS F 28 108.281 -3.685 -6.016 1.00 0.00 S ATOM 0 H CYS F 28 108.424 -4.221 -3.167 1.00 0.00 H new ATOM 0 HA CYS F 28 108.327 -1.591 -4.137 1.00 0.00 H new ATOM 0 HB2 CYS F 28 106.438 -3.960 -4.483 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.289 -2.472 -5.396 1.00 0.00 H new ATOM 1243 N ALA F 29 105.969 -2.399 -1.978 1.00 0.00 N ATOM 1244 CA ALA F 29 104.947 -1.858 -1.089 1.00 0.00 C ATOM 1245 C ALA F 29 105.588 -0.868 -0.114 1.00 0.00 C ATOM 1246 O ALA F 29 105.025 0.192 0.176 1.00 0.00 O ATOM 1247 CB ALA F 29 104.273 -3.000 -0.319 1.00 0.00 C ATOM 0 H ALA F 29 106.168 -3.389 -1.837 1.00 0.00 H new ATOM 0 HA ALA F 29 104.192 -1.337 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.510 -2.591 0.344 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.809 -3.690 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.020 -3.531 0.271 1.00 0.00 H new ATOM 1253 N PHE F 30 106.783 -1.224 0.373 1.00 0.00 N ATOM 1254 CA PHE F 30 107.522 -0.371 1.305 1.00 0.00 C ATOM 1255 C PHE F 30 107.877 0.962 0.642 1.00 0.00 C ATOM 1256 O PHE F 30 107.583 2.024 1.185 1.00 0.00 O ATOM 1257 CB PHE F 30 108.801 -1.105 1.762 1.00 0.00 C ATOM 1258 CG PHE F 30 109.707 -0.184 2.566 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.228 0.445 3.725 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.032 0.040 2.148 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.065 1.288 4.460 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.864 0.885 2.888 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.380 1.508 4.043 1.00 0.00 C ATOM 0 H PHE F 30 107.256 -2.096 0.136 1.00 0.00 H new ATOM 0 HA PHE F 30 106.898 -0.161 2.174 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.530 -1.971 2.366 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.339 -1.479 0.891 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.212 0.277 4.049 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.406 -0.441 1.256 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.695 1.771 5.352 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.881 1.057 2.568 1.00 0.00 H new ATOM 0 HZ PHE F 30 112.024 2.160 4.614 1.00 0.00 H new ATOM 1273 N ILE F 31 108.506 0.895 -0.531 1.00 0.00 N ATOM 1274 CA ILE F 31 108.900 2.105 -1.260 1.00 0.00 C ATOM 1275 C ILE F 31 107.669 2.955 -1.590 1.00 0.00 C ATOM 1276 O ILE F 31 107.713 4.185 -1.486 1.00 0.00 O ATOM 1277 CB ILE F 31 109.686 1.717 -2.534 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.942 0.929 -2.116 1.00 0.00 C ATOM 1279 CG2 ILE F 31 110.124 2.976 -3.314 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.675 0.389 -3.346 1.00 0.00 C ATOM 0 H ILE F 31 108.754 0.022 -0.997 1.00 0.00 H new ATOM 0 HA ILE F 31 109.554 2.709 -0.631 1.00 0.00 H new ATOM 0 HB ILE F 31 109.044 1.114 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.608 1.574 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.659 0.103 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.675 2.678 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.243 3.548 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.763 3.592 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.559 -0.164 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.012 -0.274 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.977 1.220 -3.984 1.00 0.00 H new ATOM 1292 N HIS F 32 106.574 2.292 -1.973 1.00 0.00 N ATOM 1293 CA HIS F 32 105.336 2.996 -2.298 1.00 0.00 C ATOM 1294 C HIS F 32 104.826 3.760 -1.072 1.00 0.00 C ATOM 1295 O HIS F 32 104.436 4.925 -1.176 1.00 0.00 O ATOM 1296 CB HIS F 32 104.269 1.998 -2.776 1.00 0.00 C ATOM 1297 CG HIS F 32 103.051 2.740 -3.266 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.049 3.165 -2.407 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.663 3.139 -4.521 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.115 3.788 -3.150 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.441 3.801 -4.445 1.00 0.00 N ATOM 0 H HIS F 32 106.522 1.277 -2.064 1.00 0.00 H new ATOM 0 HA HIS F 32 105.538 3.707 -3.099 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.673 1.377 -3.576 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.994 1.329 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS F 32 103.221 2.966 -5.429 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.212 4.224 -2.748 1.00 0.00 H new ATOM 0 HE2 HIS F 32 100.909 4.209 -5.214 1.00 0.00 H new ATOM 1310 N SER F 33 104.831 3.093 0.087 1.00 0.00 N ATOM 1311 CA SER F 33 104.359 3.722 1.320 1.00 0.00 C ATOM 1312 C SER F 33 105.237 4.921 1.705 1.00 0.00 C ATOM 1313 O SER F 33 104.717 5.934 2.180 1.00 0.00 O ATOM 1314 CB SER F 33 104.314 2.694 2.461 1.00 0.00 C ATOM 1315 OG SER F 33 105.631 2.349 2.863 1.00 0.00 O ATOM 0 H SER F 33 105.152 2.131 0.195 1.00 0.00 H new ATOM 0 HA SER F 33 103.349 4.093 1.145 1.00 0.00 H new ATOM 0 HB2 SER F 33 103.763 3.104 3.308 1.00 0.00 H new ATOM 0 HB3 SER F 33 103.780 1.801 2.135 1.00 0.00 H new ATOM 0 HG SER F 33 106.106 1.940 2.110 1.00 0.00 H new ATOM 1321 N LEU F 34 106.567 4.811 1.493 1.00 0.00 N ATOM 1322 CA LEU F 34 107.489 5.915 1.820 1.00 0.00 C ATOM 1323 C LEU F 34 107.107 7.165 1.022 1.00 0.00 C ATOM 1324 O LEU F 34 107.047 8.271 1.568 1.00 0.00 O ATOM 1325 CB LEU F 34 108.949 5.536 1.484 1.00 0.00 C ATOM 1326 CG LEU F 34 109.427 4.339 2.330 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.671 3.689 1.676 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.787 4.822 3.741 1.00 0.00 C ATOM 0 H LEU F 34 107.018 3.983 1.104 1.00 0.00 H new ATOM 0 HA LEU F 34 107.411 6.113 2.889 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.028 5.290 0.425 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.599 6.392 1.662 1.00 0.00 H new ATOM 0 HG LEU F 34 108.627 3.601 2.386 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.001 2.845 2.281 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.416 3.340 0.675 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.473 4.424 1.611 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.125 3.976 4.340 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.583 5.564 3.679 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.909 5.269 4.208 1.00 0.00 H new ATOM 1340 N HIS F 35 106.838 6.962 -0.272 1.00 0.00 N ATOM 1341 CA HIS F 35 106.447 8.053 -1.165 1.00 0.00 C ATOM 1342 C HIS F 35 105.035 8.546 -0.832 1.00 0.00 C ATOM 1343 O HIS F 35 104.775 9.753 -0.837 1.00 0.00 O ATOM 1344 CB HIS F 35 106.502 7.572 -2.624 1.00 0.00 C ATOM 1345 CG HIS F 35 106.275 8.734 -3.557 1.00 0.00 C ATOM 1346 ND1 HIS F 35 105.027 9.314 -3.725 1.00 0.00 N ATOM 1347 CD2 HIS F 35 107.126 9.433 -4.377 1.00 0.00 C ATOM 1348 CE1 HIS F 35 105.161 10.315 -4.615 1.00 0.00 C ATOM 1349 NE2 HIS F 35 106.421 10.430 -5.044 1.00 0.00 N ATOM 0 H HIS F 35 106.885 6.049 -0.723 1.00 0.00 H new ATOM 0 HA HIS F 35 107.142 8.881 -1.029 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.470 7.114 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.745 6.806 -2.792 1.00 0.00 H new ATOM 0 HD2 HIS F 35 108.183 9.238 -4.488 1.00 0.00 H new ATOM 0 HE1 HIS F 35 104.349 10.948 -4.942 1.00 0.00 H new ATOM 0 HE2 HIS F 35 106.787 11.104 -5.716 1.00 0.00 H new ATOM 1358 N ASP F 36 104.129 7.598 -0.559 1.00 0.00 N ATOM 1359 CA ASP F 36 102.736 7.927 -0.236 1.00 0.00 C ATOM 1360 C ASP F 36 102.658 8.843 0.983 1.00 0.00 C ATOM 1361 O ASP F 36 101.856 9.782 1.010 1.00 0.00 O ATOM 1362 CB ASP F 36 101.947 6.639 0.035 1.00 0.00 C ATOM 1363 CG ASP F 36 100.458 6.958 0.203 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.775 7.057 -0.803 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.025 7.102 1.336 1.00 0.00 O ATOM 0 H ASP F 36 104.336 6.599 -0.556 1.00 0.00 H new ATOM 0 HA ASP F 36 102.302 8.450 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.086 5.938 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.326 6.153 0.934 1.00 0.00 H new ATOM 1370 N ASP F 37 103.499 8.563 1.985 1.00 0.00 N ATOM 1371 CA ASP F 37 103.536 9.362 3.213 1.00 0.00 C ATOM 1372 C ASP F 37 104.993 9.591 3.649 1.00 0.00 C ATOM 1373 O ASP F 37 105.636 8.675 4.173 1.00 0.00 O ATOM 1374 CB ASP F 37 102.752 8.652 4.331 1.00 0.00 C ATOM 1375 CG ASP F 37 102.344 9.657 5.415 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.221 10.329 5.943 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.160 9.743 5.705 1.00 0.00 O ATOM 0 H ASP F 37 104.163 7.789 1.969 1.00 0.00 H new ATOM 0 HA ASP F 37 103.071 10.329 3.019 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.865 8.174 3.916 1.00 0.00 H new ATOM 0 HB3 ASP F 37 103.363 7.863 4.769 1.00 0.00 H new ATOM 1382 N PRO F 38 105.535 10.780 3.430 1.00 0.00 N ATOM 1383 CA PRO F 38 106.949 11.098 3.802 1.00 0.00 C ATOM 1384 C PRO F 38 107.148 11.201 5.315 1.00 0.00 C ATOM 1385 O PRO F 38 108.109 10.651 5.858 1.00 0.00 O ATOM 1386 CB PRO F 38 107.221 12.440 3.117 1.00 0.00 C ATOM 1387 CG PRO F 38 105.884 13.077 2.930 1.00 0.00 C ATOM 1388 CD PRO F 38 104.864 11.943 2.812 1.00 0.00 C ATOM 0 HA PRO F 38 107.634 10.311 3.487 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.871 13.067 3.728 1.00 0.00 H new ATOM 0 HB3 PRO F 38 107.723 12.296 2.160 1.00 0.00 H new ATOM 0 HG2 PRO F 38 105.644 13.726 3.772 1.00 0.00 H new ATOM 0 HG3 PRO F 38 105.875 13.700 2.035 1.00 0.00 H new ATOM 0 HD2 PRO F 38 103.936 12.188 3.329 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.607 11.747 1.771 1.00 0.00 H new ATOM 1396 N SER F 39 106.242 11.914 5.985 1.00 0.00 N ATOM 1397 CA SER F 39 106.330 12.093 7.438 1.00 0.00 C ATOM 1398 C SER F 39 106.261 10.747 8.168 1.00 0.00 C ATOM 1399 O SER F 39 106.871 10.577 9.228 1.00 0.00 O ATOM 1400 CB SER F 39 105.194 13.004 7.921 1.00 0.00 C ATOM 1401 OG SER F 39 103.941 12.347 7.751 1.00 0.00 O ATOM 0 H SER F 39 105.443 12.375 5.550 1.00 0.00 H new ATOM 0 HA SER F 39 107.291 12.555 7.665 1.00 0.00 H new ATOM 0 HB2 SER F 39 105.342 13.259 8.970 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.203 13.939 7.361 1.00 0.00 H new ATOM 0 HG SER F 39 103.990 11.744 6.980 1.00 0.00 H new ATOM 1407 N GLN F 40 105.506 9.803 7.595 1.00 0.00 N ATOM 1408 CA GLN F 40 105.333 8.483 8.172 1.00 0.00 C ATOM 1409 C GLN F 40 106.417 7.511 7.682 1.00 0.00 C ATOM 1410 O GLN F 40 106.423 6.345 8.071 1.00 0.00 O ATOM 1411 CB GLN F 40 103.939 7.984 7.774 1.00 0.00 C ATOM 1412 CG GLN F 40 103.570 6.728 8.538 1.00 0.00 C ATOM 1413 CD GLN F 40 102.086 6.417 8.354 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.309 6.499 9.304 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.647 6.073 7.177 1.00 0.00 N ATOM 0 H GLN F 40 105.002 9.941 6.719 1.00 0.00 H new ATOM 0 HA GLN F 40 105.427 8.537 9.257 1.00 0.00 H new ATOM 0 HB2 GLN F 40 103.201 8.762 7.970 1.00 0.00 H new ATOM 0 HB3 GLN F 40 103.914 7.783 6.703 1.00 0.00 H new ATOM 0 HG2 GLN F 40 104.171 5.890 8.186 1.00 0.00 H new ATOM 0 HG3 GLN F 40 103.793 6.859 9.597 1.00 0.00 H new ATOM 0 HE21 GLN F 40 102.294 6.006 6.391 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.657 5.871 7.041 1.00 0.00 H new ATOM 1424 N SER F 41 107.346 7.992 6.831 1.00 0.00 N ATOM 1425 CA SER F 41 108.427 7.132 6.310 1.00 0.00 C ATOM 1426 C SER F 41 109.248 6.544 7.461 1.00 0.00 C ATOM 1427 O SER F 41 109.666 5.384 7.410 1.00 0.00 O ATOM 1428 CB SER F 41 109.336 7.925 5.362 1.00 0.00 C ATOM 1429 OG SER F 41 110.073 8.897 6.096 1.00 0.00 O ATOM 0 H SER F 41 107.370 8.955 6.495 1.00 0.00 H new ATOM 0 HA SER F 41 107.973 6.313 5.753 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.020 7.248 4.850 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.737 8.414 4.594 1.00 0.00 H new ATOM 0 HG SER F 41 109.473 9.619 6.377 1.00 0.00 H new ATOM 1435 N ALA F 42 109.430 7.349 8.506 1.00 0.00 N ATOM 1436 CA ALA F 42 110.154 6.916 9.698 1.00 0.00 C ATOM 1437 C ALA F 42 109.390 5.768 10.363 1.00 0.00 C ATOM 1438 O ALA F 42 109.984 4.761 10.763 1.00 0.00 O ATOM 1439 CB ALA F 42 110.299 8.084 10.679 1.00 0.00 C ATOM 0 H ALA F 42 109.085 8.308 8.551 1.00 0.00 H new ATOM 0 HA ALA F 42 111.149 6.575 9.412 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.840 7.750 11.564 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.849 8.894 10.201 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.311 8.439 10.970 1.00 0.00 H new ATOM 1445 N ASN F 43 108.062 5.918 10.450 1.00 0.00 N ATOM 1446 CA ASN F 43 107.214 4.878 11.033 1.00 0.00 C ATOM 1447 C ASN F 43 107.285 3.622 10.170 1.00 0.00 C ATOM 1448 O ASN F 43 107.380 2.505 10.687 1.00 0.00 O ATOM 1449 CB ASN F 43 105.762 5.363 11.129 1.00 0.00 C ATOM 1450 CG ASN F 43 105.649 6.476 12.168 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.304 7.610 11.834 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.915 6.214 13.417 1.00 0.00 N ATOM 0 H ASN F 43 107.558 6.743 10.126 1.00 0.00 H new ATOM 0 HA ASN F 43 107.571 4.651 12.038 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.427 5.726 10.158 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.110 4.533 11.401 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.838 6.949 14.120 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.201 5.274 13.691 1.00 0.00 H new ATOM 1459 N LEU F 44 107.263 3.826 8.847 1.00 0.00 N ATOM 1460 CA LEU F 44 107.356 2.716 7.900 1.00 0.00 C ATOM 1461 C LEU F 44 108.701 2.022 8.064 1.00 0.00 C ATOM 1462 O LEU F 44 108.804 0.807 7.898 1.00 0.00 O ATOM 1463 CB LEU F 44 107.209 3.226 6.461 1.00 0.00 C ATOM 1464 CG LEU F 44 105.778 3.735 6.221 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.749 4.604 4.955 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.826 2.539 6.046 1.00 0.00 C ATOM 0 H LEU F 44 107.182 4.746 8.413 1.00 0.00 H new ATOM 0 HA LEU F 44 106.551 2.009 8.103 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.924 4.028 6.277 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.441 2.426 5.758 1.00 0.00 H new ATOM 0 HG LEU F 44 105.457 4.329 7.077 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.735 4.965 4.785 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.420 5.454 5.081 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.072 4.011 4.099 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.813 2.902 5.876 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.145 1.942 5.192 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.845 1.924 6.946 1.00 0.00 H new ATOM 1478 N LEU F 45 109.725 2.813 8.401 1.00 0.00 N ATOM 1479 CA LEU F 45 111.067 2.280 8.608 1.00 0.00 C ATOM 1480 C LEU F 45 111.067 1.314 9.785 1.00 0.00 C ATOM 1481 O LEU F 45 111.731 0.280 9.742 1.00 0.00 O ATOM 1482 CB LEU F 45 112.064 3.426 8.874 1.00 0.00 C ATOM 1483 CG LEU F 45 113.014 3.579 7.679 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.244 4.185 6.486 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.190 4.507 8.049 1.00 0.00 C ATOM 0 H LEU F 45 109.646 3.821 8.535 1.00 0.00 H new ATOM 0 HA LEU F 45 111.374 1.748 7.707 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.524 4.358 9.042 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.635 3.220 9.780 1.00 0.00 H new ATOM 0 HG LEU F 45 113.404 2.598 7.409 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.918 4.294 5.636 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.419 3.527 6.213 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.851 5.162 6.765 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.857 4.608 7.193 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.806 5.488 8.327 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.739 4.081 8.889 1.00 0.00 H new ATOM 1497 N ALA F 46 110.315 1.661 10.831 1.00 0.00 N ATOM 1498 CA ALA F 46 110.227 0.818 12.021 1.00 0.00 C ATOM 1499 C ALA F 46 109.603 -0.531 11.675 1.00 0.00 C ATOM 1500 O ALA F 46 110.148 -1.580 12.031 1.00 0.00 O ATOM 1501 CB ALA F 46 109.387 1.521 13.095 1.00 0.00 C ATOM 0 H ALA F 46 109.761 2.516 10.877 1.00 0.00 H new ATOM 0 HA ALA F 46 111.233 0.648 12.404 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.325 0.888 13.980 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.854 2.470 13.359 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.384 1.706 12.710 1.00 0.00 H new ATOM 1507 N GLU F 47 108.462 -0.502 10.976 1.00 0.00 N ATOM 1508 CA GLU F 47 107.787 -1.740 10.587 1.00 0.00 C ATOM 1509 C GLU F 47 108.598 -2.495 9.545 1.00 0.00 C ATOM 1510 O GLU F 47 108.715 -3.704 9.631 1.00 0.00 O ATOM 1511 CB GLU F 47 106.408 -1.458 10.003 1.00 0.00 C ATOM 1512 CG GLU F 47 105.474 -0.884 11.074 1.00 0.00 C ATOM 1513 CD GLU F 47 105.268 -1.888 12.214 1.00 0.00 C ATOM 1514 OE1 GLU F 47 104.720 -2.948 11.953 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.639 -1.573 13.335 1.00 0.00 O ATOM 0 H GLU F 47 107.995 0.353 10.673 1.00 0.00 H new ATOM 0 HA GLU F 47 107.686 -2.342 11.490 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.495 -0.755 9.175 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.984 -2.377 9.598 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.893 0.041 11.470 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.512 -0.633 10.627 1.00 0.00 H new ATOM 1522 N ALA F 48 109.156 -1.769 8.565 1.00 0.00 N ATOM 1523 CA ALA F 48 109.965 -2.379 7.505 1.00 0.00 C ATOM 1524 C ALA F 48 111.175 -3.065 8.120 1.00 0.00 C ATOM 1525 O ALA F 48 111.499 -4.209 7.795 1.00 0.00 O ATOM 1526 CB ALA F 48 110.422 -1.299 6.521 1.00 0.00 C ATOM 0 H ALA F 48 109.060 -0.757 8.487 1.00 0.00 H new ATOM 0 HA ALA F 48 109.367 -3.118 6.971 1.00 0.00 H new ATOM 0 HB1 ALA F 48 111.023 -1.755 5.734 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.550 -0.817 6.079 1.00 0.00 H new ATOM 0 HB3 ALA F 48 111.019 -0.555 7.049 1.00 0.00 H new ATOM 1532 N LYS F 49 111.809 -2.366 9.052 1.00 0.00 N ATOM 1533 CA LYS F 49 112.946 -2.912 9.760 1.00 0.00 C ATOM 1534 C LYS F 49 112.488 -4.121 10.584 1.00 0.00 C ATOM 1535 O LYS F 49 113.191 -5.126 10.673 1.00 0.00 O ATOM 1536 CB LYS F 49 113.553 -1.845 10.675 1.00 0.00 C ATOM 1537 CG LYS F 49 114.883 -2.362 11.239 1.00 0.00 C ATOM 1538 CD LYS F 49 115.011 -1.970 12.718 1.00 0.00 C ATOM 1539 CE LYS F 49 115.331 -0.476 12.840 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.452 -0.112 14.281 1.00 0.00 N ATOM 0 H LYS F 49 111.551 -1.420 9.331 1.00 0.00 H new ATOM 0 HA LYS F 49 113.707 -3.228 9.046 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.714 -0.921 10.119 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.865 -1.612 11.488 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.935 -3.446 11.135 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.715 -1.947 10.670 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.083 -2.195 13.244 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.797 -2.558 13.192 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.259 -0.248 12.317 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.546 0.115 12.369 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 115.669 0.902 14.366 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.555 -0.316 14.767 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.216 -0.667 14.716 1.00 0.00 H new ATOM 1554 N LYS F 50 111.273 -4.022 11.146 1.00 0.00 N ATOM 1555 CA LYS F 50 110.695 -5.117 11.922 1.00 0.00 C ATOM 1556 C LYS F 50 110.347 -6.254 10.973 1.00 0.00 C ATOM 1557 O LYS F 50 110.420 -7.430 11.320 1.00 0.00 O ATOM 1558 CB LYS F 50 109.443 -4.606 12.656 1.00 0.00 C ATOM 1559 CG LYS F 50 108.788 -5.724 13.480 1.00 0.00 C ATOM 1560 CD LYS F 50 107.603 -5.151 14.278 1.00 0.00 C ATOM 1561 CE LYS F 50 106.381 -4.996 13.364 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.807 -6.341 13.063 1.00 0.00 N ATOM 0 H LYS F 50 110.678 -3.196 11.075 1.00 0.00 H new ATOM 0 HA LYS F 50 111.404 -5.483 12.665 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.715 -3.779 13.312 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.727 -4.217 11.932 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.444 -6.521 12.821 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.518 -6.164 14.159 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.362 -5.811 15.112 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.874 -4.185 14.704 1.00 0.00 H new ATOM 0 HE2 LYS F 50 105.631 -4.369 13.846 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.667 -4.496 12.439 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.822 -6.235 12.746 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 106.365 -6.797 12.313 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.833 -6.929 13.920 1.00 0.00 H new ATOM 1576 N LEU F 51 109.973 -5.866 9.760 1.00 0.00 N ATOM 1577 CA LEU F 51 109.607 -6.800 8.713 1.00 0.00 C ATOM 1578 C LEU F 51 110.813 -7.659 8.363 1.00 0.00 C ATOM 1579 O LEU F 51 110.691 -8.864 8.143 1.00 0.00 O ATOM 1580 CB LEU F 51 109.147 -5.988 7.500 1.00 0.00 C ATOM 1581 CG LEU F 51 108.280 -6.815 6.559 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.005 -7.265 7.294 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.917 -5.922 5.362 1.00 0.00 C ATOM 0 H LEU F 51 109.916 -4.888 9.478 1.00 0.00 H new ATOM 0 HA LEU F 51 108.802 -7.459 9.038 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.587 -5.116 7.838 1.00 0.00 H new ATOM 0 HB3 LEU F 51 110.018 -5.617 6.960 1.00 0.00 H new ATOM 0 HG LEU F 51 108.810 -7.705 6.220 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.386 -7.856 6.620 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.278 -7.869 8.159 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.447 -6.389 7.624 1.00 0.00 H new ATOM 0 HD21 LEU F 51 107.294 -6.483 4.665 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.370 -5.047 5.713 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.829 -5.602 4.857 1.00 0.00 H new ATOM 1595 N ASN F 52 111.988 -7.017 8.363 1.00 0.00 N ATOM 1596 CA ASN F 52 113.246 -7.707 8.094 1.00 0.00 C ATOM 1597 C ASN F 52 113.419 -8.814 9.143 1.00 0.00 C ATOM 1598 O ASN F 52 113.830 -9.933 8.826 1.00 0.00 O ATOM 1599 CB ASN F 52 114.414 -6.679 8.123 1.00 0.00 C ATOM 1600 CG ASN F 52 115.494 -7.061 9.136 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.437 -7.782 8.811 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.395 -6.615 10.351 1.00 0.00 N ATOM 0 H ASN F 52 112.089 -6.019 8.547 1.00 0.00 H new ATOM 0 HA ASN F 52 113.244 -8.166 7.106 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.858 -6.608 7.130 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.021 -5.692 8.368 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.102 -6.862 11.044 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.611 -6.018 10.613 1.00 0.00 H new ATOM 1609 N ASP F 53 113.062 -8.476 10.389 1.00 0.00 N ATOM 1610 CA ASP F 53 113.130 -9.419 11.505 1.00 0.00 C ATOM 1611 C ASP F 53 112.003 -10.458 11.400 1.00 0.00 C ATOM 1612 O ASP F 53 112.179 -11.620 11.775 1.00 0.00 O ATOM 1613 CB ASP F 53 113.027 -8.659 12.838 1.00 0.00 C ATOM 1614 CG ASP F 53 114.233 -7.727 13.009 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.339 -8.233 13.135 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.036 -6.523 13.013 1.00 0.00 O ATOM 0 H ASP F 53 112.722 -7.550 10.647 1.00 0.00 H new ATOM 0 HA ASP F 53 114.086 -9.941 11.465 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.104 -8.080 12.865 1.00 0.00 H new ATOM 0 HB3 ASP F 53 112.984 -9.366 13.666 1.00 0.00 H new ATOM 1621 N ALA F 54 110.845 -10.014 10.898 1.00 0.00 N ATOM 1622 CA ALA F 54 109.670 -10.880 10.744 1.00 0.00 C ATOM 1623 C ALA F 54 109.861 -11.914 9.630 1.00 0.00 C ATOM 1624 O ALA F 54 109.341 -13.030 9.721 1.00 0.00 O ATOM 1625 CB ALA F 54 108.437 -10.023 10.436 1.00 0.00 C ATOM 0 H ALA F 54 110.696 -9.053 10.590 1.00 0.00 H new ATOM 0 HA ALA F 54 109.532 -11.420 11.681 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.565 -10.667 10.322 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.266 -9.323 11.254 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.601 -9.468 9.512 1.00 0.00 H new ATOM 1631 N GLN F 55 110.594 -11.528 8.580 1.00 0.00 N ATOM 1632 CA GLN F 55 110.841 -12.415 7.433 1.00 0.00 C ATOM 1633 C GLN F 55 112.210 -13.083 7.543 1.00 0.00 C ATOM 1634 O GLN F 55 112.581 -13.911 6.706 1.00 0.00 O ATOM 1635 CB GLN F 55 110.771 -11.609 6.128 1.00 0.00 C ATOM 1636 CG GLN F 55 109.371 -10.997 5.972 1.00 0.00 C ATOM 1637 CD GLN F 55 109.259 -10.202 4.666 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.233 -10.060 3.924 1.00 0.00 O ATOM 1639 NE2 GLN F 55 108.116 -9.672 4.336 1.00 0.00 N ATOM 0 H GLN F 55 111.027 -10.608 8.499 1.00 0.00 H new ATOM 0 HA GLN F 55 110.075 -13.190 7.431 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.524 -10.821 6.135 1.00 0.00 H new ATOM 0 HB3 GLN F 55 110.993 -12.255 5.278 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.621 -11.788 5.985 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.160 -10.344 6.818 1.00 0.00 H new ATOM 0 HE21 GLN F 55 107.306 -9.786 4.946 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.031 -9.143 3.468 1.00 0.00 H new ATOM 1648 N ALA F 56 112.954 -12.700 8.575 1.00 0.00 N ATOM 1649 CA ALA F 56 114.285 -13.226 8.812 1.00 0.00 C ATOM 1650 C ALA F 56 114.265 -14.742 9.033 1.00 0.00 C ATOM 1651 O ALA F 56 113.204 -15.343 9.230 1.00 0.00 O ATOM 1652 CB ALA F 56 114.895 -12.534 10.038 1.00 0.00 C ATOM 0 H ALA F 56 112.648 -12.017 9.268 1.00 0.00 H new ATOM 0 HA ALA F 56 114.890 -13.027 7.927 1.00 0.00 H new ATOM 0 HB1 ALA F 56 115.895 -12.928 10.218 1.00 0.00 H new ATOM 0 HB2 ALA F 56 114.955 -11.461 9.858 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.269 -12.721 10.910 1.00 0.00 H new