USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=18 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= 1.18 K(o=-0.46,f=-1.6) USER MOD Set 1.2: F 55 GLN : amide:sc= -1.64 K(o=-0.46,f=-1.6) USER MOD Set 2.1: E 39 SER OG : rot 180:sc= -0.0217 USER MOD Set 2.2: E 40 GLN : amide:sc= -0.934 X(o=-0.96,f=-1.3) USER MOD Set 3.1: E 23 ASN :FLIP amide:sc= -0.0818 X(o=-1.1,f=-0.58) USER MOD Set 3.2: E 55 GLN :FLIP amide:sc= -0.5 F(o=-2.3,f=-0.58) USER MOD Single : C 28 LYS NZ :NH3+ -159:sc= -0.0843 (180deg=-0.502) USER MOD Single : C 35 MET CE :methyl 152:sc= -0.263 (180deg=-1.52!) USER MOD Single : E 18 TYR OH : rot 143:sc= 1.22 USER MOD Single : E 21 ASN : amide:sc= -1.63! X(o=-1.6!,f=-1.7) USER MOD Single : E 26 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.3) USER MOD Single : E 32 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : E 33 SER OG : rot 160:sc= -0.154 USER MOD Single : E 35 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.74) USER MOD Single : E 41 SER OG : rot -92:sc= 1.17 USER MOD Single : E 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -173:sc= 0.448 (180deg=0.428) USER MOD Single : E 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 52 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.74) USER MOD Single : F 18 TYR OH : rot 124:sc= 0.975 USER MOD Single : F 21 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.7) USER MOD Single : F 26 GLN :FLIP amide:sc= -0.248 F(o=-1.7,f=-0.25) USER MOD Single : F 32 HIS : no HE2:sc= 0.0204 K(o=0.02,f=-3.7!) USER MOD Single : F 33 SER OG : rot 80:sc= 1.23 USER MOD Single : F 35 HIS : no HE2:sc= 0.587 K(o=0.59,f=-4.3!) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : F 41 SER OG : rot -79:sc= 1.01 USER MOD Single : F 43 ASN : amide:sc= -0.0031 X(o=-0.0031,f=0) USER MOD Single : F 49 LYS NZ :NH3+ 150:sc= -0.882 (180deg=-1.84) USER MOD Single : F 50 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.882) USER MOD Single : F 52 ASN : amide:sc= -0.052 K(o=-0.052,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.089 -7.688 -3.413 1.00 0.00 N ATOM 24 CA LEU C 17 122.342 -6.430 -3.460 1.00 0.00 C ATOM 25 C LEU C 17 121.422 -6.339 -2.246 1.00 0.00 C ATOM 26 O LEU C 17 120.669 -7.274 -1.960 1.00 0.00 O ATOM 27 CB LEU C 17 121.500 -6.330 -4.745 1.00 0.00 C ATOM 28 CG LEU C 17 122.251 -5.558 -5.847 1.00 0.00 C ATOM 29 CD1 LEU C 17 122.613 -4.141 -5.380 1.00 0.00 C ATOM 30 CD2 LEU C 17 123.521 -6.321 -6.253 1.00 0.00 C ATOM 0 HA LEU C 17 123.058 -5.608 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.256 -7.331 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU C 17 120.556 -5.830 -4.526 1.00 0.00 H new ATOM 0 HG LEU C 17 121.593 -5.472 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU C 17 123.142 -3.619 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU C 17 121.702 -3.596 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.252 -4.200 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU C 17 124.045 -5.767 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU C 17 124.172 -6.431 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU C 17 123.248 -7.307 -6.629 1.00 0.00 H new ATOM 42 N VAL C 18 121.492 -5.207 -1.542 1.00 0.00 N ATOM 43 CA VAL C 18 120.667 -4.980 -0.352 1.00 0.00 C ATOM 44 C VAL C 18 119.947 -3.642 -0.478 1.00 0.00 C ATOM 45 O VAL C 18 120.563 -2.655 -0.858 1.00 0.00 O ATOM 46 CB VAL C 18 121.549 -4.962 0.909 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.661 -4.931 2.161 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.451 -6.207 0.944 1.00 0.00 C ATOM 0 H VAL C 18 122.112 -4.432 -1.775 1.00 0.00 H new ATOM 0 HA VAL C 18 119.938 -5.786 -0.269 1.00 0.00 H new ATOM 0 HB VAL C 18 122.177 -4.071 0.888 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.289 -4.918 3.052 1.00 0.00 H new ATOM 0 HG12 VAL C 18 120.038 -4.037 2.143 1.00 0.00 H new ATOM 0 HG13 VAL C 18 120.025 -5.816 2.178 1.00 0.00 H new ATOM 0 HG21 VAL C 18 123.070 -6.183 1.841 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.832 -7.104 0.954 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.091 -6.218 0.062 1.00 0.00 H new ATOM 58 N PHE C 19 118.654 -3.610 -0.143 1.00 0.00 N ATOM 59 CA PHE C 19 117.875 -2.376 -0.209 1.00 0.00 C ATOM 60 C PHE C 19 117.680 -1.819 1.188 1.00 0.00 C ATOM 61 O PHE C 19 117.262 -2.534 2.096 1.00 0.00 O ATOM 62 CB PHE C 19 116.497 -2.627 -0.855 1.00 0.00 C ATOM 63 CG PHE C 19 116.472 -2.023 -2.242 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.304 -2.553 -3.235 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.633 -0.931 -2.537 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.305 -2.000 -4.517 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.638 -0.383 -3.825 1.00 0.00 C ATOM 68 CZ PHE C 19 116.474 -0.918 -4.812 1.00 0.00 C ATOM 0 H PHE C 19 118.128 -4.424 0.176 1.00 0.00 H new ATOM 0 HA PHE C 19 118.422 -1.659 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.299 -3.697 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.710 -2.188 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.946 -3.391 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE C 19 114.989 -0.519 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE C 19 117.949 -2.410 -5.281 1.00 0.00 H new ATOM 0 HE2 PHE C 19 114.996 0.454 -4.058 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.476 -0.492 -5.805 1.00 0.00 H new ATOM 78 N PHE C 20 117.985 -0.539 1.341 1.00 0.00 N ATOM 79 CA PHE C 20 117.839 0.136 2.634 1.00 0.00 C ATOM 80 C PHE C 20 117.266 1.541 2.455 1.00 0.00 C ATOM 81 O PHE C 20 117.418 2.151 1.393 1.00 0.00 O ATOM 82 CB PHE C 20 119.192 0.208 3.353 1.00 0.00 C ATOM 83 CG PHE C 20 120.165 1.027 2.554 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.128 2.422 2.626 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.098 0.390 1.738 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.026 3.179 1.881 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.993 1.145 0.996 1.00 0.00 C ATOM 88 CZ PHE C 20 121.962 2.543 1.062 1.00 0.00 C ATOM 0 H PHE C 20 118.335 0.057 0.591 1.00 0.00 H new ATOM 0 HA PHE C 20 117.144 -0.444 3.242 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.063 0.647 4.342 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.587 -0.797 3.500 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.403 2.912 3.259 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.124 -0.688 1.684 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.000 4.257 1.936 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.717 0.653 0.364 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.660 3.128 0.481 1.00 0.00 H new ATOM 98 N ALA C 21 116.624 2.055 3.508 1.00 0.00 N ATOM 99 CA ALA C 21 116.052 3.394 3.471 1.00 0.00 C ATOM 100 C ALA C 21 116.756 4.283 4.490 1.00 0.00 C ATOM 101 O ALA C 21 116.924 3.892 5.648 1.00 0.00 O ATOM 102 CB ALA C 21 114.559 3.324 3.771 1.00 0.00 C ATOM 0 H ALA C 21 116.490 1.562 4.391 1.00 0.00 H new ATOM 0 HA ALA C 21 116.191 3.820 2.478 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.135 4.328 3.742 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.067 2.701 3.025 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.407 2.894 4.761 1.00 0.00 H new ATOM 108 N GLU C 22 117.170 5.473 4.047 1.00 0.00 N ATOM 109 CA GLU C 22 117.861 6.421 4.900 1.00 0.00 C ATOM 110 C GLU C 22 116.907 7.529 5.326 1.00 0.00 C ATOM 111 O GLU C 22 116.304 8.172 4.477 1.00 0.00 O ATOM 112 CB GLU C 22 119.037 7.013 4.108 1.00 0.00 C ATOM 113 CG GLU C 22 119.744 8.086 4.936 1.00 0.00 C ATOM 114 CD GLU C 22 120.887 8.711 4.132 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.847 8.007 3.863 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.785 9.881 3.797 1.00 0.00 O ATOM 0 H GLU C 22 117.033 5.798 3.090 1.00 0.00 H new ATOM 0 HA GLU C 22 118.228 5.921 5.796 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.741 6.224 3.844 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.676 7.443 3.174 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.032 8.858 5.228 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.134 7.648 5.855 1.00 0.00 H new ATOM 123 N ASP C 23 116.805 7.763 6.636 1.00 0.00 N ATOM 124 CA ASP C 23 115.947 8.818 7.159 1.00 0.00 C ATOM 125 C ASP C 23 116.627 10.155 6.906 1.00 0.00 C ATOM 126 O ASP C 23 117.729 10.402 7.396 1.00 0.00 O ATOM 127 CB ASP C 23 115.709 8.614 8.661 1.00 0.00 C ATOM 128 CG ASP C 23 114.715 9.654 9.182 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.523 9.413 9.075 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.160 10.677 9.677 1.00 0.00 O ATOM 0 H ASP C 23 117.307 7.235 7.350 1.00 0.00 H new ATOM 0 HA ASP C 23 114.978 8.794 6.660 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.326 7.610 8.843 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.652 8.698 9.201 1.00 0.00 H new ATOM 135 N VAL C 24 115.989 10.985 6.090 1.00 0.00 N ATOM 136 CA VAL C 24 116.557 12.287 5.715 1.00 0.00 C ATOM 137 C VAL C 24 115.637 13.450 6.077 1.00 0.00 C ATOM 138 O VAL C 24 116.012 14.610 5.890 1.00 0.00 O ATOM 139 CB VAL C 24 116.833 12.281 4.200 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.678 11.044 3.862 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.499 12.249 3.420 1.00 0.00 C ATOM 0 H VAL C 24 115.080 10.786 5.673 1.00 0.00 H new ATOM 0 HA VAL C 24 117.481 12.433 6.275 1.00 0.00 H new ATOM 0 HB VAL C 24 117.373 13.184 3.916 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.883 11.025 2.792 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.619 11.085 4.411 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.133 10.143 4.144 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.704 12.245 2.349 1.00 0.00 H new ATOM 0 HG22 VAL C 24 114.943 11.350 3.687 1.00 0.00 H new ATOM 0 HG23 VAL C 24 114.908 13.129 3.673 1.00 0.00 H new ATOM 183 N LYS C 28 111.126 14.903 2.718 1.00 0.00 N ATOM 184 CA LYS C 28 111.346 13.810 1.768 1.00 0.00 C ATOM 185 C LYS C 28 111.182 12.459 2.465 1.00 0.00 C ATOM 186 O LYS C 28 111.239 11.408 1.818 1.00 0.00 O ATOM 187 CB LYS C 28 112.761 13.904 1.188 1.00 0.00 C ATOM 188 CG LYS C 28 112.906 15.178 0.340 1.00 0.00 C ATOM 189 CD LYS C 28 114.121 15.057 -0.594 1.00 0.00 C ATOM 190 CE LYS C 28 115.427 15.062 0.215 1.00 0.00 C ATOM 191 NZ LYS C 28 115.588 16.376 0.901 1.00 0.00 N ATOM 0 HA LYS C 28 110.611 13.894 0.967 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.493 13.911 1.996 1.00 0.00 H new ATOM 0 HB3 LYS C 28 112.970 13.026 0.577 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.001 15.338 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.022 16.045 0.990 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.050 14.137 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.124 15.883 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.414 14.257 0.949 1.00 0.00 H new ATOM 0 HE3 LYS C 28 116.275 14.879 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 116.589 16.521 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 115.270 17.139 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 115.017 16.386 1.770 1.00 0.00 H new ATOM 205 N GLY C 29 111.004 12.496 3.790 1.00 0.00 N ATOM 206 CA GLY C 29 110.865 11.273 4.575 1.00 0.00 C ATOM 207 C GLY C 29 112.195 10.534 4.584 1.00 0.00 C ATOM 208 O GLY C 29 113.127 10.935 5.289 1.00 0.00 O ATOM 0 H GLY C 29 110.954 13.356 4.335 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.561 11.513 5.594 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.086 10.640 4.150 1.00 0.00 H new ATOM 212 N ALA C 30 112.281 9.467 3.782 1.00 0.00 N ATOM 213 CA ALA C 30 113.509 8.683 3.672 1.00 0.00 C ATOM 214 C ALA C 30 113.916 8.529 2.204 1.00 0.00 C ATOM 215 O ALA C 30 113.112 8.776 1.300 1.00 0.00 O ATOM 216 CB ALA C 30 113.319 7.307 4.308 1.00 0.00 C ATOM 0 H ALA C 30 111.513 9.129 3.201 1.00 0.00 H new ATOM 0 HA ALA C 30 114.302 9.210 4.202 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.242 6.734 4.218 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.066 7.425 5.362 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.513 6.779 3.798 1.00 0.00 H new ATOM 222 N ILE C 31 115.171 8.120 1.985 1.00 0.00 N ATOM 223 CA ILE C 31 115.706 7.927 0.634 1.00 0.00 C ATOM 224 C ILE C 31 116.029 6.459 0.403 1.00 0.00 C ATOM 225 O ILE C 31 116.645 5.813 1.255 1.00 0.00 O ATOM 226 CB ILE C 31 116.993 8.752 0.425 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.716 10.241 0.685 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.491 8.569 -1.016 1.00 0.00 C ATOM 229 CD1 ILE C 31 117.986 11.076 0.444 1.00 0.00 C ATOM 0 H ILE C 31 115.837 7.916 2.730 1.00 0.00 H new ATOM 0 HA ILE C 31 114.946 8.260 -0.073 1.00 0.00 H new ATOM 0 HB ILE C 31 117.754 8.405 1.124 1.00 0.00 H new ATOM 0 HG12 ILE C 31 115.916 10.588 0.031 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.372 10.379 1.710 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.400 9.152 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.702 7.515 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.725 8.910 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.771 12.128 0.633 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.775 10.740 1.117 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.312 10.952 -0.589 1.00 0.00 H new ATOM 241 N ILE C 32 115.639 5.952 -0.765 1.00 0.00 N ATOM 242 CA ILE C 32 115.913 4.569 -1.121 1.00 0.00 C ATOM 243 C ILE C 32 117.314 4.459 -1.706 1.00 0.00 C ATOM 244 O ILE C 32 117.607 5.006 -2.774 1.00 0.00 O ATOM 245 CB ILE C 32 114.852 4.043 -2.123 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.670 3.444 -1.345 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.440 2.965 -3.056 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.106 2.165 -0.604 1.00 0.00 C ATOM 0 H ILE C 32 115.134 6.480 -1.477 1.00 0.00 H new ATOM 0 HA ILE C 32 115.858 3.952 -0.224 1.00 0.00 H new ATOM 0 HB ILE C 32 114.521 4.882 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.290 4.174 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.854 3.214 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.669 2.619 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.269 3.388 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.798 2.125 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.257 1.754 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.464 1.431 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.906 2.405 0.096 1.00 0.00 H new ATOM 260 N GLY C 33 118.155 3.715 -0.998 1.00 0.00 N ATOM 261 CA GLY C 33 119.525 3.466 -1.416 1.00 0.00 C ATOM 262 C GLY C 33 119.830 1.994 -1.213 1.00 0.00 C ATOM 263 O GLY C 33 119.303 1.375 -0.288 1.00 0.00 O ATOM 0 H GLY C 33 117.904 3.267 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.657 3.739 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.215 4.079 -0.837 1.00 0.00 H new ATOM 267 N LEU C 34 120.664 1.433 -2.076 1.00 0.00 N ATOM 268 CA LEU C 34 121.015 0.016 -1.970 1.00 0.00 C ATOM 269 C LEU C 34 122.513 -0.181 -1.869 1.00 0.00 C ATOM 270 O LEU C 34 123.302 0.670 -2.283 1.00 0.00 O ATOM 271 CB LEU C 34 120.480 -0.788 -3.157 1.00 0.00 C ATOM 272 CG LEU C 34 120.734 -0.037 -4.464 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.103 -1.050 -5.558 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.476 0.764 -4.848 1.00 0.00 C ATOM 0 H LEU C 34 121.108 1.926 -2.850 1.00 0.00 H new ATOM 0 HA LEU C 34 120.547 -0.350 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.963 -1.764 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.412 -0.965 -3.033 1.00 0.00 H new ATOM 0 HG LEU C 34 121.560 0.664 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.286 -0.523 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.002 -1.591 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.283 -1.755 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.656 1.300 -5.780 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.636 0.082 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.244 1.478 -4.058 1.00 0.00 H new ATOM 286 N MET C 35 122.875 -1.325 -1.307 1.00 0.00 N ATOM 287 CA MET C 35 124.279 -1.694 -1.120 1.00 0.00 C ATOM 288 C MET C 35 124.681 -2.767 -2.122 1.00 0.00 C ATOM 289 O MET C 35 123.910 -3.684 -2.405 1.00 0.00 O ATOM 290 CB MET C 35 124.521 -2.171 0.328 1.00 0.00 C ATOM 291 CG MET C 35 125.244 -1.056 1.091 1.00 0.00 C ATOM 292 SD MET C 35 125.529 -1.514 2.819 1.00 0.00 S ATOM 293 CE MET C 35 126.540 -2.964 2.503 1.00 0.00 C ATOM 0 H MET C 35 122.212 -2.022 -0.968 1.00 0.00 H new ATOM 0 HA MET C 35 124.900 -0.815 -1.295 1.00 0.00 H new ATOM 0 HB2 MET C 35 123.574 -2.409 0.812 1.00 0.00 H new ATOM 0 HB3 MET C 35 125.119 -3.082 0.332 1.00 0.00 H new ATOM 0 HG2 MET C 35 126.197 -0.842 0.608 1.00 0.00 H new ATOM 0 HG3 MET C 35 124.653 -0.141 1.048 1.00 0.00 H new ATOM 0 HE1 MET C 35 127.221 -3.122 3.339 1.00 0.00 H new ATOM 0 HE2 MET C 35 125.898 -3.837 2.388 1.00 0.00 H new ATOM 0 HE3 MET C 35 127.116 -2.814 1.590 1.00 0.00 H new ATOM 303 N VAL C 36 125.890 -2.612 -2.670 1.00 0.00 N ATOM 304 CA VAL C 36 126.418 -3.539 -3.682 1.00 0.00 C ATOM 305 C VAL C 36 127.704 -4.205 -3.185 1.00 0.00 C ATOM 306 O VAL C 36 128.619 -3.518 -2.720 1.00 0.00 O ATOM 307 CB VAL C 36 126.723 -2.766 -4.981 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.965 -3.755 -6.130 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.555 -1.829 -5.345 1.00 0.00 C ATOM 0 H VAL C 36 126.525 -1.851 -2.430 1.00 0.00 H new ATOM 0 HA VAL C 36 125.669 -4.308 -3.870 1.00 0.00 H new ATOM 0 HB VAL C 36 127.617 -2.164 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.180 -3.204 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.812 -4.397 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.075 -4.368 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.791 -1.293 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.649 -2.417 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.398 -1.113 -4.538 1.00 0.00 H new ATOM 319 N GLY C 37 127.771 -5.541 -3.298 1.00 0.00 N ATOM 320 CA GLY C 37 128.955 -6.288 -2.864 1.00 0.00 C ATOM 321 C GLY C 37 129.232 -6.053 -1.384 1.00 0.00 C ATOM 322 O GLY C 37 130.390 -6.005 -0.958 1.00 0.00 O ATOM 0 H GLY C 37 127.024 -6.119 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.806 -7.352 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.819 -5.982 -3.453 1.00 0.00 H new ATOM 367 N GLY E 14 131.812 -1.896 0.381 1.00 0.00 N ATOM 368 CA GLY E 14 131.130 -2.130 -0.893 1.00 0.00 C ATOM 369 C GLY E 14 130.689 -0.817 -1.541 1.00 0.00 C ATOM 370 O GLY E 14 130.847 0.261 -0.959 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.795 -2.666 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.260 -2.767 -0.730 1.00 0.00 H new ATOM 374 N GLU E 15 130.112 -0.928 -2.742 1.00 0.00 N ATOM 375 CA GLU E 15 129.613 0.239 -3.472 1.00 0.00 C ATOM 376 C GLU E 15 128.161 0.471 -3.082 1.00 0.00 C ATOM 377 O GLU E 15 127.333 -0.432 -3.214 1.00 0.00 O ATOM 378 CB GLU E 15 129.737 -0.002 -4.991 1.00 0.00 C ATOM 379 CG GLU E 15 129.243 1.228 -5.776 1.00 0.00 C ATOM 380 CD GLU E 15 129.310 0.961 -7.286 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.411 0.803 -7.791 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.261 0.921 -7.915 1.00 0.00 O ATOM 0 H GLU E 15 129.980 -1.815 -3.228 1.00 0.00 H new ATOM 0 HA GLU E 15 130.201 1.121 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.775 -0.212 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.155 -0.879 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.219 1.465 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.853 2.096 -5.526 1.00 0.00 H new ATOM 389 N ILE E 16 127.864 1.675 -2.588 1.00 0.00 N ATOM 390 CA ILE E 16 126.507 2.006 -2.159 1.00 0.00 C ATOM 391 C ILE E 16 125.862 2.981 -3.146 1.00 0.00 C ATOM 392 O ILE E 16 126.450 4.003 -3.508 1.00 0.00 O ATOM 393 CB ILE E 16 126.529 2.593 -0.734 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.415 1.692 0.174 1.00 0.00 C ATOM 395 CG2 ILE E 16 125.090 2.640 -0.197 1.00 0.00 C ATOM 396 CD1 ILE E 16 127.073 1.880 1.661 1.00 0.00 C ATOM 0 H ILE E 16 128.540 2.430 -2.476 1.00 0.00 H new ATOM 0 HA ILE E 16 125.907 1.096 -2.143 1.00 0.00 H new ATOM 0 HB ILE E 16 126.943 3.601 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.276 0.647 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.466 1.929 0.009 1.00 0.00 H new ATOM 0 HG21 ILE E 16 125.091 3.054 0.811 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.480 3.268 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.677 1.632 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.711 1.235 2.265 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.236 2.920 1.943 1.00 0.00 H new ATOM 0 HD13 ILE E 16 126.029 1.618 1.830 1.00 0.00 H new ATOM 408 N VAL E 17 124.659 2.613 -3.596 1.00 0.00 N ATOM 409 CA VAL E 17 123.896 3.391 -4.580 1.00 0.00 C ATOM 410 C VAL E 17 122.645 4.036 -3.974 1.00 0.00 C ATOM 411 O VAL E 17 121.964 3.438 -3.146 1.00 0.00 O ATOM 412 CB VAL E 17 123.484 2.451 -5.732 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.489 3.150 -6.679 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.736 2.033 -6.518 1.00 0.00 C ATOM 0 H VAL E 17 124.184 1.764 -3.288 1.00 0.00 H new ATOM 0 HA VAL E 17 124.531 4.200 -4.940 1.00 0.00 H new ATOM 0 HB VAL E 17 122.998 1.571 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.212 2.469 -7.484 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.596 3.436 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.954 4.041 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.449 1.369 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.222 2.919 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.427 1.514 -5.853 1.00 0.00 H new ATOM 424 N TYR E 18 122.345 5.254 -4.441 1.00 0.00 N ATOM 425 CA TYR E 18 121.157 6.005 -4.013 1.00 0.00 C ATOM 426 C TYR E 18 120.352 6.400 -5.252 1.00 0.00 C ATOM 427 O TYR E 18 120.914 6.968 -6.194 1.00 0.00 O ATOM 428 CB TYR E 18 121.570 7.266 -3.236 1.00 0.00 C ATOM 429 CG TYR E 18 121.852 6.910 -1.803 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.012 6.210 -1.471 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.954 7.294 -0.804 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.273 5.890 -0.141 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.211 6.981 0.527 1.00 0.00 C ATOM 434 CZ TYR E 18 122.374 6.276 0.864 1.00 0.00 C ATOM 435 OH TYR E 18 122.640 5.965 2.182 1.00 0.00 O ATOM 0 H TYR E 18 122.918 5.747 -5.126 1.00 0.00 H new ATOM 0 HA TYR E 18 120.551 5.381 -3.357 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.455 7.711 -3.691 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.776 8.012 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.707 5.917 -2.244 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.057 7.836 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.168 5.344 0.117 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.516 7.280 1.298 1.00 0.00 H new ATOM 0 HH TYR E 18 122.351 6.704 2.757 1.00 0.00 H new ATOM 445 N LEU E 19 119.044 6.093 -5.255 1.00 0.00 N ATOM 446 CA LEU E 19 118.184 6.420 -6.406 1.00 0.00 C ATOM 447 C LEU E 19 116.960 7.261 -5.981 1.00 0.00 C ATOM 448 O LEU E 19 115.818 6.918 -6.308 1.00 0.00 O ATOM 449 CB LEU E 19 117.711 5.122 -7.103 1.00 0.00 C ATOM 450 CG LEU E 19 118.912 4.240 -7.514 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.433 2.831 -7.904 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.661 4.871 -8.701 1.00 0.00 C ATOM 0 H LEU E 19 118.564 5.626 -4.486 1.00 0.00 H new ATOM 0 HA LEU E 19 118.776 7.014 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.058 4.563 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.122 5.373 -7.985 1.00 0.00 H new ATOM 0 HG LEU E 19 119.588 4.167 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.290 2.222 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU E 19 117.928 2.370 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.741 2.901 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.504 4.237 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.984 4.965 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU E 19 120.027 5.858 -8.417 1.00 0.00 H new ATOM 464 N PRO E 20 117.167 8.374 -5.293 1.00 0.00 N ATOM 465 CA PRO E 20 116.044 9.273 -4.865 1.00 0.00 C ATOM 466 C PRO E 20 115.301 9.849 -6.067 1.00 0.00 C ATOM 467 O PRO E 20 114.196 10.382 -5.933 1.00 0.00 O ATOM 468 CB PRO E 20 116.735 10.398 -4.075 1.00 0.00 C ATOM 469 CG PRO E 20 118.173 10.350 -4.479 1.00 0.00 C ATOM 470 CD PRO E 20 118.473 8.901 -4.853 1.00 0.00 C ATOM 0 HA PRO E 20 115.298 8.738 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.295 11.368 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.625 10.247 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.361 11.015 -5.322 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.816 10.681 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.218 8.839 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO E 20 118.865 8.341 -4.004 1.00 0.00 H new ATOM 478 N ASN E 21 115.943 9.758 -7.235 1.00 0.00 N ATOM 479 CA ASN E 21 115.388 10.290 -8.475 1.00 0.00 C ATOM 480 C ASN E 21 114.511 9.269 -9.206 1.00 0.00 C ATOM 481 O ASN E 21 113.935 9.593 -10.248 1.00 0.00 O ATOM 482 CB ASN E 21 116.545 10.714 -9.394 1.00 0.00 C ATOM 483 CG ASN E 21 117.413 11.782 -8.721 1.00 0.00 C ATOM 484 OD1 ASN E 21 116.951 12.508 -7.838 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.656 11.924 -9.093 1.00 0.00 N ATOM 0 H ASN E 21 116.856 9.316 -7.344 1.00 0.00 H new ATOM 0 HA ASN E 21 114.756 11.141 -8.221 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.156 9.846 -9.641 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.147 11.101 -10.332 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.242 12.634 -8.654 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.041 11.325 -9.823 1.00 0.00 H new ATOM 492 N LEU E 22 114.412 8.040 -8.673 1.00 0.00 N ATOM 493 CA LEU E 22 113.606 7.004 -9.317 1.00 0.00 C ATOM 494 C LEU E 22 112.222 6.902 -8.691 1.00 0.00 C ATOM 495 O LEU E 22 112.083 6.780 -7.472 1.00 0.00 O ATOM 496 CB LEU E 22 114.330 5.654 -9.227 1.00 0.00 C ATOM 497 CG LEU E 22 115.228 5.453 -10.462 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.230 6.614 -10.604 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.979 4.115 -10.333 1.00 0.00 C ATOM 0 H LEU E 22 114.874 7.748 -7.812 1.00 0.00 H new ATOM 0 HA LEU E 22 113.475 7.278 -10.364 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.932 5.615 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.602 4.845 -9.161 1.00 0.00 H new ATOM 0 HG LEU E 22 114.603 5.436 -11.355 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.854 6.451 -11.483 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.686 7.552 -10.714 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.860 6.662 -9.716 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.616 3.970 -11.206 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.594 4.128 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.260 3.299 -10.269 1.00 0.00 H new ATOM 511 N ASN E 23 111.205 6.938 -9.554 1.00 0.00 N ATOM 512 CA ASN E 23 109.814 6.835 -9.114 1.00 0.00 C ATOM 513 C ASN E 23 109.570 5.447 -8.512 1.00 0.00 C ATOM 514 O ASN E 23 110.321 4.511 -8.806 1.00 0.00 O ATOM 515 CB ASN E 23 108.865 7.053 -10.305 1.00 0.00 C ATOM 516 CG ASN E 23 109.219 8.345 -11.041 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.852 8.283 -12.179 1.00 0.00 O flip ATOM 518 ND2 ASN E 23 108.910 9.437 -10.565 1.00 0.00 N flip ATOM 0 H ASN E 23 111.320 7.038 -10.563 1.00 0.00 H new ATOM 0 HA ASN E 23 109.621 7.600 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN E 23 108.931 6.208 -10.990 1.00 0.00 H new ATOM 0 HB3 ASN E 23 107.834 7.099 -9.953 1.00 0.00 H new ATOM 0 HD21 ASN E 23 108.415 9.483 -9.675 1.00 0.00 H new ATOM 0 HD22 ASN E 23 109.149 10.296 -11.061 1.00 0.00 H new ATOM 525 N PRO E 24 108.544 5.282 -7.690 1.00 0.00 N ATOM 526 CA PRO E 24 108.232 3.958 -7.064 1.00 0.00 C ATOM 527 C PRO E 24 108.112 2.856 -8.114 1.00 0.00 C ATOM 528 O PRO E 24 108.523 1.717 -7.881 1.00 0.00 O ATOM 529 CB PRO E 24 106.892 4.184 -6.351 1.00 0.00 C ATOM 530 CG PRO E 24 106.796 5.659 -6.136 1.00 0.00 C ATOM 531 CD PRO E 24 107.583 6.321 -7.267 1.00 0.00 C ATOM 0 HA PRO E 24 109.019 3.630 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.060 3.821 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.856 3.646 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.756 5.985 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.207 5.936 -5.165 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.930 6.618 -8.087 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.093 7.221 -6.924 1.00 0.00 H new ATOM 539 N ASP E 25 107.568 3.217 -9.278 1.00 0.00 N ATOM 540 CA ASP E 25 107.417 2.267 -10.373 1.00 0.00 C ATOM 541 C ASP E 25 108.791 1.806 -10.858 1.00 0.00 C ATOM 542 O ASP E 25 109.030 0.608 -11.020 1.00 0.00 O ATOM 543 CB ASP E 25 106.649 2.917 -11.534 1.00 0.00 C ATOM 544 CG ASP E 25 105.238 3.314 -11.087 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.460 2.423 -10.784 1.00 0.00 O ATOM 546 OD2 ASP E 25 104.955 4.502 -11.058 1.00 0.00 O ATOM 0 H ASP E 25 107.227 4.156 -9.483 1.00 0.00 H new ATOM 0 HA ASP E 25 106.856 1.404 -10.014 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.187 3.797 -11.886 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.590 2.223 -12.373 1.00 0.00 H new ATOM 551 N GLN E 26 109.695 2.768 -11.086 1.00 0.00 N ATOM 552 CA GLN E 26 111.031 2.453 -11.549 1.00 0.00 C ATOM 553 C GLN E 26 111.790 1.637 -10.500 1.00 0.00 C ATOM 554 O GLN E 26 112.459 0.658 -10.842 1.00 0.00 O ATOM 555 CB GLN E 26 111.772 3.754 -11.865 1.00 0.00 C ATOM 556 CG GLN E 26 113.043 3.450 -12.655 1.00 0.00 C ATOM 557 CD GLN E 26 112.700 2.852 -14.021 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.162 1.761 -14.356 1.00 0.00 O ATOM 559 NE2 GLN E 26 111.914 3.504 -14.833 1.00 0.00 N ATOM 0 H GLN E 26 109.516 3.764 -10.955 1.00 0.00 H new ATOM 0 HA GLN E 26 110.965 1.848 -12.453 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.127 4.420 -12.439 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.024 4.273 -10.940 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.622 4.364 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.668 2.755 -12.095 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.531 4.408 -14.556 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.683 3.110 -15.745 1.00 0.00 H new ATOM 568 N LEU E 27 111.677 2.034 -9.220 1.00 0.00 N ATOM 569 CA LEU E 27 112.357 1.306 -8.142 1.00 0.00 C ATOM 570 C LEU E 27 111.829 -0.125 -8.072 1.00 0.00 C ATOM 571 O LEU E 27 112.603 -1.069 -7.912 1.00 0.00 O ATOM 572 CB LEU E 27 112.154 1.997 -6.779 1.00 0.00 C ATOM 573 CG LEU E 27 112.839 3.379 -6.755 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.561 4.076 -5.415 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.362 3.228 -6.926 1.00 0.00 C ATOM 0 H LEU E 27 111.131 2.840 -8.914 1.00 0.00 H new ATOM 0 HA LEU E 27 113.424 1.298 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.088 2.111 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.561 1.371 -5.985 1.00 0.00 H new ATOM 0 HG LEU E 27 112.438 3.974 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.047 5.051 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.486 4.205 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU E 27 112.952 3.467 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.830 4.212 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.761 2.621 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.575 2.744 -7.879 1.00 0.00 H new ATOM 587 N CYS E 28 110.506 -0.276 -8.211 1.00 0.00 N ATOM 588 CA CYS E 28 109.878 -1.597 -8.180 1.00 0.00 C ATOM 589 C CYS E 28 110.336 -2.422 -9.386 1.00 0.00 C ATOM 590 O CYS E 28 110.631 -3.614 -9.256 1.00 0.00 O ATOM 591 CB CYS E 28 108.349 -1.460 -8.184 1.00 0.00 C ATOM 592 SG CYS E 28 107.599 -2.999 -7.592 1.00 0.00 S ATOM 0 H CYS E 28 109.855 0.498 -8.345 1.00 0.00 H new ATOM 0 HA CYS E 28 110.180 -2.108 -7.266 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.047 -0.628 -7.548 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.997 -1.236 -9.191 1.00 0.00 H new ATOM 597 N ALA E 29 110.399 -1.766 -10.553 1.00 0.00 N ATOM 598 CA ALA E 29 110.831 -2.422 -11.791 1.00 0.00 C ATOM 599 C ALA E 29 112.263 -2.924 -11.645 1.00 0.00 C ATOM 600 O ALA E 29 112.583 -4.062 -12.002 1.00 0.00 O ATOM 601 CB ALA E 29 110.767 -1.418 -12.950 1.00 0.00 C ATOM 0 H ALA E 29 110.156 -0.782 -10.664 1.00 0.00 H new ATOM 0 HA ALA E 29 110.172 -3.266 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.088 -1.905 -13.871 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.744 -1.061 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.424 -0.574 -12.737 1.00 0.00 H new ATOM 607 N PHE E 30 113.109 -2.051 -11.106 1.00 0.00 N ATOM 608 CA PHE E 30 114.517 -2.357 -10.881 1.00 0.00 C ATOM 609 C PHE E 30 114.667 -3.473 -9.841 1.00 0.00 C ATOM 610 O PHE E 30 115.373 -4.454 -10.071 1.00 0.00 O ATOM 611 CB PHE E 30 115.210 -1.066 -10.414 1.00 0.00 C ATOM 612 CG PHE E 30 116.639 -1.323 -9.984 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.585 -1.800 -10.901 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.018 -1.065 -8.660 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.906 -2.016 -10.489 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.334 -1.283 -8.255 1.00 0.00 C ATOM 617 CZ PHE E 30 119.276 -1.757 -9.166 1.00 0.00 C ATOM 0 H PHE E 30 112.837 -1.112 -10.813 1.00 0.00 H new ATOM 0 HA PHE E 30 114.980 -2.714 -11.801 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.199 -0.334 -11.222 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.652 -0.633 -9.584 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.296 -2.000 -11.922 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.290 -0.697 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.638 -2.382 -11.193 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.624 -1.084 -7.234 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.295 -1.925 -8.849 1.00 0.00 H new ATOM 627 N ILE E 31 113.996 -3.298 -8.703 1.00 0.00 N ATOM 628 CA ILE E 31 114.038 -4.263 -7.601 1.00 0.00 C ATOM 629 C ILE E 31 113.558 -5.654 -8.020 1.00 0.00 C ATOM 630 O ILE E 31 114.056 -6.654 -7.499 1.00 0.00 O ATOM 631 CB ILE E 31 113.198 -3.700 -6.431 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.055 -2.683 -5.672 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.736 -4.789 -5.448 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.205 -1.939 -4.637 1.00 0.00 C ATOM 0 H ILE E 31 113.408 -2.485 -8.518 1.00 0.00 H new ATOM 0 HA ILE E 31 115.073 -4.396 -7.286 1.00 0.00 H new ATOM 0 HB ILE E 31 112.302 -3.245 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.881 -3.192 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.493 -1.972 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.151 -4.333 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.122 -5.519 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.607 -5.287 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.827 -1.219 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.394 -1.414 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.788 -2.653 -3.927 1.00 0.00 H new ATOM 646 N HIS E 32 112.600 -5.721 -8.946 1.00 0.00 N ATOM 647 CA HIS E 32 112.077 -7.011 -9.397 1.00 0.00 C ATOM 648 C HIS E 32 113.171 -7.806 -10.107 1.00 0.00 C ATOM 649 O HIS E 32 113.414 -8.979 -9.796 1.00 0.00 O ATOM 650 CB HIS E 32 110.893 -6.775 -10.348 1.00 0.00 C ATOM 651 CG HIS E 32 110.198 -8.077 -10.646 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.369 -8.751 -11.845 1.00 0.00 N ATOM 653 CD2 HIS E 32 109.314 -8.832 -9.915 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.606 -9.858 -11.800 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.942 -9.956 -10.646 1.00 0.00 N ATOM 0 H HIS E 32 112.175 -4.909 -9.393 1.00 0.00 H new ATOM 0 HA HIS E 32 111.739 -7.584 -8.534 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.190 -6.074 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS E 32 111.246 -6.322 -11.275 1.00 0.00 H new ATOM 0 HD2 HIS E 32 108.961 -8.590 -8.923 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.539 -10.580 -12.600 1.00 0.00 H new ATOM 0 HE2 HIS E 32 108.300 -10.696 -10.361 1.00 0.00 H new ATOM 664 N SER E 33 113.828 -7.144 -11.056 1.00 0.00 N ATOM 665 CA SER E 33 114.906 -7.754 -11.832 1.00 0.00 C ATOM 666 C SER E 33 116.171 -7.948 -10.989 1.00 0.00 C ATOM 667 O SER E 33 116.849 -8.972 -11.101 1.00 0.00 O ATOM 668 CB SER E 33 115.212 -6.857 -13.031 1.00 0.00 C ATOM 669 OG SER E 33 116.175 -7.486 -13.869 1.00 0.00 O ATOM 0 H SER E 33 113.630 -6.176 -11.308 1.00 0.00 H new ATOM 0 HA SER E 33 114.582 -8.740 -12.165 1.00 0.00 H new ATOM 0 HB2 SER E 33 114.299 -6.662 -13.593 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.588 -5.893 -12.689 1.00 0.00 H new ATOM 0 HG SER E 33 116.137 -7.091 -14.765 1.00 0.00 H new ATOM 675 N LEU E 34 116.477 -6.947 -10.161 1.00 0.00 N ATOM 676 CA LEU E 34 117.663 -6.974 -9.295 1.00 0.00 C ATOM 677 C LEU E 34 117.643 -8.203 -8.389 1.00 0.00 C ATOM 678 O LEU E 34 118.682 -8.826 -8.146 1.00 0.00 O ATOM 679 CB LEU E 34 117.675 -5.704 -8.435 1.00 0.00 C ATOM 680 CG LEU E 34 119.043 -5.526 -7.766 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.097 -5.207 -8.838 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.966 -4.377 -6.748 1.00 0.00 C ATOM 0 H LEU E 34 115.916 -6.100 -10.070 1.00 0.00 H new ATOM 0 HA LEU E 34 118.558 -7.020 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.450 -4.836 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.896 -5.764 -7.675 1.00 0.00 H new ATOM 0 HG LEU E 34 119.324 -6.444 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU E 34 121.071 -5.080 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU E 34 120.146 -6.026 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.823 -4.288 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.937 -4.248 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.688 -3.456 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU E 34 118.218 -4.611 -5.991 1.00 0.00 H new ATOM 694 N HIS E 35 116.453 -8.533 -7.893 1.00 0.00 N ATOM 695 CA HIS E 35 116.272 -9.677 -7.004 1.00 0.00 C ATOM 696 C HIS E 35 116.194 -10.994 -7.788 1.00 0.00 C ATOM 697 O HIS E 35 116.836 -11.977 -7.408 1.00 0.00 O ATOM 698 CB HIS E 35 114.998 -9.472 -6.171 1.00 0.00 C ATOM 699 CG HIS E 35 115.354 -8.829 -4.856 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.658 -9.575 -3.728 1.00 0.00 N ATOM 701 CD2 HIS E 35 115.465 -7.514 -4.476 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.932 -8.713 -2.732 1.00 0.00 C ATOM 703 NE2 HIS E 35 115.828 -7.443 -3.134 1.00 0.00 N ATOM 0 H HIS E 35 115.594 -8.020 -8.094 1.00 0.00 H new ATOM 0 HA HIS E 35 117.137 -9.744 -6.344 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.292 -8.844 -6.715 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.506 -10.429 -5.998 1.00 0.00 H new ATOM 0 HD2 HIS E 35 115.296 -6.664 -5.120 1.00 0.00 H new ATOM 0 HE1 HIS E 35 116.203 -9.011 -1.730 1.00 0.00 H new ATOM 0 HE2 HIS E 35 115.982 -6.602 -2.577 1.00 0.00 H new ATOM 712 N ASP E 36 115.399 -11.013 -8.867 1.00 0.00 N ATOM 713 CA ASP E 36 115.247 -12.231 -9.678 1.00 0.00 C ATOM 714 C ASP E 36 116.576 -12.673 -10.296 1.00 0.00 C ATOM 715 O ASP E 36 116.843 -13.874 -10.398 1.00 0.00 O ATOM 716 CB ASP E 36 114.222 -12.006 -10.806 1.00 0.00 C ATOM 717 CG ASP E 36 112.787 -11.839 -10.265 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.580 -11.951 -9.062 1.00 0.00 O ATOM 719 OD2 ASP E 36 111.908 -11.611 -11.077 1.00 0.00 O ATOM 0 H ASP E 36 114.859 -10.213 -9.196 1.00 0.00 H new ATOM 0 HA ASP E 36 114.896 -13.016 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.499 -11.119 -11.375 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.253 -12.849 -11.496 1.00 0.00 H new ATOM 724 N ASP E 37 117.390 -11.700 -10.723 1.00 0.00 N ATOM 725 CA ASP E 37 118.684 -11.994 -11.356 1.00 0.00 C ATOM 726 C ASP E 37 119.821 -11.241 -10.643 1.00 0.00 C ATOM 727 O ASP E 37 120.239 -10.167 -11.089 1.00 0.00 O ATOM 728 CB ASP E 37 118.636 -11.595 -12.843 1.00 0.00 C ATOM 729 CG ASP E 37 117.610 -12.452 -13.588 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.432 -12.313 -13.298 1.00 0.00 O ATOM 731 OD2 ASP E 37 118.015 -13.233 -14.434 1.00 0.00 O ATOM 0 H ASP E 37 117.178 -10.706 -10.643 1.00 0.00 H new ATOM 0 HA ASP E 37 118.878 -13.063 -11.275 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.376 -10.541 -12.936 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.621 -11.721 -13.293 1.00 0.00 H new ATOM 736 N PRO E 38 120.328 -11.775 -9.542 1.00 0.00 N ATOM 737 CA PRO E 38 121.432 -11.126 -8.767 1.00 0.00 C ATOM 738 C PRO E 38 122.780 -11.218 -9.486 1.00 0.00 C ATOM 739 O PRO E 38 123.644 -10.362 -9.302 1.00 0.00 O ATOM 740 CB PRO E 38 121.454 -11.896 -7.448 1.00 0.00 C ATOM 741 CG PRO E 38 120.924 -13.250 -7.784 1.00 0.00 C ATOM 742 CD PRO E 38 119.913 -13.050 -8.916 1.00 0.00 C ATOM 0 HA PRO E 38 121.263 -10.057 -8.634 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.464 -11.957 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.837 -11.406 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.729 -13.916 -8.095 1.00 0.00 H new ATOM 0 HG3 PRO E 38 120.450 -13.708 -6.916 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.943 -13.874 -9.629 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.893 -12.995 -8.536 1.00 0.00 H new ATOM 750 N SER E 39 122.945 -12.258 -10.307 1.00 0.00 N ATOM 751 CA SER E 39 124.189 -12.446 -11.061 1.00 0.00 C ATOM 752 C SER E 39 124.411 -11.269 -12.016 1.00 0.00 C ATOM 753 O SER E 39 125.540 -10.801 -12.193 1.00 0.00 O ATOM 754 CB SER E 39 124.120 -13.757 -11.851 1.00 0.00 C ATOM 755 OG SER E 39 122.937 -13.769 -12.644 1.00 0.00 O ATOM 0 H SER E 39 122.240 -12.978 -10.467 1.00 0.00 H new ATOM 0 HA SER E 39 125.025 -12.492 -10.363 1.00 0.00 H new ATOM 0 HB2 SER E 39 124.999 -13.858 -12.488 1.00 0.00 H new ATOM 0 HB3 SER E 39 124.122 -14.607 -11.168 1.00 0.00 H new ATOM 0 HG SER E 39 122.892 -14.606 -13.152 1.00 0.00 H new ATOM 761 N GLN E 40 123.312 -10.803 -12.612 1.00 0.00 N ATOM 762 CA GLN E 40 123.331 -9.676 -13.548 1.00 0.00 C ATOM 763 C GLN E 40 123.089 -8.349 -12.814 1.00 0.00 C ATOM 764 O GLN E 40 122.911 -7.312 -13.455 1.00 0.00 O ATOM 765 CB GLN E 40 122.221 -9.883 -14.595 1.00 0.00 C ATOM 766 CG GLN E 40 122.727 -10.753 -15.748 1.00 0.00 C ATOM 767 CD GLN E 40 123.067 -12.158 -15.256 1.00 0.00 C ATOM 768 OE1 GLN E 40 122.198 -13.027 -15.207 1.00 0.00 O ATOM 769 NE2 GLN E 40 124.286 -12.432 -14.881 1.00 0.00 N ATOM 0 H GLN E 40 122.383 -11.196 -12.460 1.00 0.00 H new ATOM 0 HA GLN E 40 124.309 -9.633 -14.027 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.356 -10.355 -14.128 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.890 -8.918 -14.978 1.00 0.00 H new ATOM 0 HG2 GLN E 40 121.968 -10.809 -16.528 1.00 0.00 H new ATOM 0 HG3 GLN E 40 123.610 -10.295 -16.195 1.00 0.00 H new ATOM 0 HE21 GLN E 40 125.006 -11.711 -14.922 1.00 0.00 H new ATOM 0 HE22 GLN E 40 124.519 -13.367 -14.547 1.00 0.00 H new ATOM 778 N SER E 41 123.060 -8.389 -11.472 1.00 0.00 N ATOM 779 CA SER E 41 122.797 -7.186 -10.665 1.00 0.00 C ATOM 780 C SER E 41 123.697 -6.007 -11.041 1.00 0.00 C ATOM 781 O SER E 41 123.241 -4.866 -11.019 1.00 0.00 O ATOM 782 CB SER E 41 122.962 -7.494 -9.180 1.00 0.00 C ATOM 783 OG SER E 41 124.319 -7.815 -8.903 1.00 0.00 O ATOM 0 H SER E 41 123.214 -9.236 -10.925 1.00 0.00 H new ATOM 0 HA SER E 41 121.768 -6.894 -10.876 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.653 -6.635 -8.584 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.317 -8.326 -8.898 1.00 0.00 H new ATOM 0 HG SER E 41 124.445 -8.785 -8.967 1.00 0.00 H new ATOM 789 N ALA E 42 124.957 -6.281 -11.389 1.00 0.00 N ATOM 790 CA ALA E 42 125.879 -5.206 -11.768 1.00 0.00 C ATOM 791 C ALA E 42 125.399 -4.520 -13.047 1.00 0.00 C ATOM 792 O ALA E 42 125.324 -3.289 -13.110 1.00 0.00 O ATOM 793 CB ALA E 42 127.289 -5.767 -11.984 1.00 0.00 C ATOM 0 H ALA E 42 125.357 -7.219 -11.417 1.00 0.00 H new ATOM 0 HA ALA E 42 125.905 -4.475 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.963 -4.958 -12.265 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.642 -6.230 -11.062 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.266 -6.513 -12.779 1.00 0.00 H new ATOM 799 N ASN E 43 125.060 -5.330 -14.053 1.00 0.00 N ATOM 800 CA ASN E 43 124.572 -4.801 -15.325 1.00 0.00 C ATOM 801 C ASN E 43 123.234 -4.110 -15.116 1.00 0.00 C ATOM 802 O ASN E 43 122.993 -3.027 -15.651 1.00 0.00 O ATOM 803 CB ASN E 43 124.394 -5.935 -16.332 1.00 0.00 C ATOM 804 CG ASN E 43 124.348 -5.380 -17.752 1.00 0.00 C ATOM 805 OD1 ASN E 43 123.281 -5.014 -18.247 1.00 0.00 O ATOM 806 ND2 ASN E 43 125.450 -5.302 -18.441 1.00 0.00 N ATOM 0 H ASN E 43 125.114 -6.348 -14.011 1.00 0.00 H new ATOM 0 HA ASN E 43 125.301 -4.086 -15.708 1.00 0.00 H new ATOM 0 HB2 ASN E 43 125.215 -6.646 -16.239 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.475 -6.480 -16.117 1.00 0.00 H new ATOM 0 HD21 ASN E 43 125.431 -4.937 -19.393 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.332 -5.606 -18.028 1.00 0.00 H new ATOM 813 N LEU E 44 122.367 -4.756 -14.327 1.00 0.00 N ATOM 814 CA LEU E 44 121.043 -4.217 -14.030 1.00 0.00 C ATOM 815 C LEU E 44 121.172 -2.872 -13.321 1.00 0.00 C ATOM 816 O LEU E 44 120.413 -1.940 -13.604 1.00 0.00 O ATOM 817 CB LEU E 44 120.254 -5.202 -13.155 1.00 0.00 C ATOM 818 CG LEU E 44 119.967 -6.497 -13.942 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.515 -7.602 -12.979 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.862 -6.244 -14.982 1.00 0.00 C ATOM 0 H LEU E 44 122.563 -5.654 -13.884 1.00 0.00 H new ATOM 0 HA LEU E 44 120.505 -4.071 -14.967 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.820 -5.433 -12.253 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.317 -4.746 -12.835 1.00 0.00 H new ATOM 0 HG LEU E 44 120.879 -6.810 -14.451 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.314 -8.514 -13.541 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.301 -7.792 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.608 -7.286 -12.463 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.665 -7.163 -15.534 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.952 -5.923 -14.475 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.185 -5.467 -15.675 1.00 0.00 H new ATOM 832 N LEU E 45 122.160 -2.768 -12.420 1.00 0.00 N ATOM 833 CA LEU E 45 122.397 -1.515 -11.707 1.00 0.00 C ATOM 834 C LEU E 45 122.847 -0.460 -12.708 1.00 0.00 C ATOM 835 O LEU E 45 122.468 0.699 -12.608 1.00 0.00 O ATOM 836 CB LEU E 45 123.480 -1.678 -10.617 1.00 0.00 C ATOM 837 CG LEU E 45 123.028 -1.066 -9.267 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.194 -1.135 -8.276 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.572 0.410 -9.413 1.00 0.00 C ATOM 0 H LEU E 45 122.796 -3.526 -12.174 1.00 0.00 H new ATOM 0 HA LEU E 45 121.470 -1.215 -11.218 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.703 -2.736 -10.481 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.402 -1.197 -10.945 1.00 0.00 H new ATOM 0 HG LEU E 45 122.174 -1.641 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.887 -0.707 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.486 -2.175 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU E 45 125.040 -0.573 -8.670 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.265 0.794 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.398 1.010 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.732 0.465 -10.106 1.00 0.00 H new ATOM 851 N ALA E 46 123.641 -0.887 -13.698 1.00 0.00 N ATOM 852 CA ALA E 46 124.126 0.021 -14.738 1.00 0.00 C ATOM 853 C ALA E 46 122.943 0.765 -15.361 1.00 0.00 C ATOM 854 O ALA E 46 123.051 1.938 -15.722 1.00 0.00 O ATOM 855 CB ALA E 46 124.868 -0.781 -15.821 1.00 0.00 C ATOM 0 H ALA E 46 123.958 -1.851 -13.798 1.00 0.00 H new ATOM 0 HA ALA E 46 124.812 0.744 -14.297 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.228 -0.102 -16.594 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.714 -1.302 -15.373 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.188 -1.508 -16.265 1.00 0.00 H new ATOM 861 N GLU E 47 121.815 0.060 -15.456 1.00 0.00 N ATOM 862 CA GLU E 47 120.586 0.622 -16.015 1.00 0.00 C ATOM 863 C GLU E 47 119.933 1.584 -15.047 1.00 0.00 C ATOM 864 O GLU E 47 119.450 2.641 -15.450 1.00 0.00 O ATOM 865 CB GLU E 47 119.571 -0.490 -16.300 1.00 0.00 C ATOM 866 CG GLU E 47 120.291 -1.703 -16.861 1.00 0.00 C ATOM 867 CD GLU E 47 119.288 -2.697 -17.451 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.527 -3.266 -16.684 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.295 -2.876 -18.660 1.00 0.00 O ATOM 0 H GLU E 47 121.728 -0.909 -15.150 1.00 0.00 H new ATOM 0 HA GLU E 47 120.864 1.142 -16.932 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.043 -0.758 -15.385 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.821 -0.139 -17.009 1.00 0.00 H new ATOM 0 HG2 GLU E 47 120.997 -1.390 -17.630 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.870 -2.186 -16.074 1.00 0.00 H new ATOM 876 N ALA E 48 119.896 1.189 -13.770 1.00 0.00 N ATOM 877 CA ALA E 48 119.264 2.001 -12.754 1.00 0.00 C ATOM 878 C ALA E 48 120.075 3.258 -12.502 1.00 0.00 C ATOM 879 O ALA E 48 119.517 4.317 -12.224 1.00 0.00 O ATOM 880 CB ALA E 48 119.068 1.218 -11.461 1.00 0.00 C ATOM 0 H ALA E 48 120.297 0.316 -13.428 1.00 0.00 H new ATOM 0 HA ALA E 48 118.278 2.289 -13.119 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.591 1.857 -10.718 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.437 0.350 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.036 0.886 -11.086 1.00 0.00 H new ATOM 886 N LYS E 49 121.397 3.135 -12.616 1.00 0.00 N ATOM 887 CA LYS E 49 122.271 4.277 -12.424 1.00 0.00 C ATOM 888 C LYS E 49 122.057 5.241 -13.571 1.00 0.00 C ATOM 889 O LYS E 49 121.858 6.440 -13.366 1.00 0.00 O ATOM 890 CB LYS E 49 123.729 3.835 -12.331 1.00 0.00 C ATOM 891 CG LYS E 49 123.910 3.068 -11.020 1.00 0.00 C ATOM 892 CD LYS E 49 125.390 2.793 -10.760 1.00 0.00 C ATOM 893 CE LYS E 49 125.734 1.337 -11.097 1.00 0.00 C ATOM 894 NZ LYS E 49 127.139 1.048 -10.683 1.00 0.00 N ATOM 0 H LYS E 49 121.877 2.263 -12.838 1.00 0.00 H new ATOM 0 HA LYS E 49 122.032 4.775 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.990 3.204 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.392 4.700 -12.361 1.00 0.00 H new ATOM 0 HG2 LYS E 49 123.491 3.643 -10.195 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.362 2.127 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS E 49 126.002 3.466 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.625 2.996 -9.715 1.00 0.00 H new ATOM 0 HE2 LYS E 49 125.047 0.662 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.616 1.162 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.412 0.102 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.776 1.758 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.209 1.083 -9.646 1.00 0.00 H new ATOM 908 N LYS E 50 122.022 4.682 -14.782 1.00 0.00 N ATOM 909 CA LYS E 50 121.735 5.473 -15.973 1.00 0.00 C ATOM 910 C LYS E 50 120.346 6.102 -15.793 1.00 0.00 C ATOM 911 O LYS E 50 120.093 7.220 -16.239 1.00 0.00 O ATOM 912 CB LYS E 50 121.772 4.580 -17.222 1.00 0.00 C ATOM 913 CG LYS E 50 123.235 4.264 -17.592 1.00 0.00 C ATOM 914 CD LYS E 50 123.306 3.065 -18.561 1.00 0.00 C ATOM 915 CE LYS E 50 122.392 3.296 -19.770 1.00 0.00 C ATOM 916 NZ LYS E 50 122.835 2.434 -20.903 1.00 0.00 N ATOM 0 H LYS E 50 122.188 3.691 -14.960 1.00 0.00 H new ATOM 0 HA LYS E 50 122.483 6.255 -16.105 1.00 0.00 H new ATOM 0 HB2 LYS E 50 121.226 3.655 -17.036 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.276 5.081 -18.054 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.696 5.138 -18.053 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.804 4.042 -16.689 1.00 0.00 H new ATOM 0 HD2 LYS E 50 124.333 2.921 -18.896 1.00 0.00 H new ATOM 0 HD3 LYS E 50 123.010 2.153 -18.043 1.00 0.00 H new ATOM 0 HE2 LYS E 50 121.359 3.066 -19.507 1.00 0.00 H new ATOM 0 HE3 LYS E 50 122.420 4.345 -20.065 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 122.214 2.592 -21.722 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 123.814 2.673 -21.159 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 122.786 1.435 -20.619 1.00 0.00 H new ATOM 930 N LEU E 51 119.478 5.365 -15.079 1.00 0.00 N ATOM 931 CA LEU E 51 118.124 5.824 -14.756 1.00 0.00 C ATOM 932 C LEU E 51 118.222 6.982 -13.761 1.00 0.00 C ATOM 933 O LEU E 51 117.488 7.966 -13.863 1.00 0.00 O ATOM 934 CB LEU E 51 117.344 4.668 -14.108 1.00 0.00 C ATOM 935 CG LEU E 51 116.000 4.394 -14.792 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.078 5.621 -14.696 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.218 4.002 -16.264 1.00 0.00 C ATOM 0 H LEU E 51 119.698 4.439 -14.713 1.00 0.00 H new ATOM 0 HA LEU E 51 117.613 6.152 -15.661 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.952 3.764 -14.140 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.170 4.899 -13.057 1.00 0.00 H new ATOM 0 HG LEU E 51 115.518 3.563 -14.277 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.130 5.403 -15.188 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.896 5.859 -13.648 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.553 6.472 -15.184 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.254 3.811 -16.736 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.723 4.815 -16.786 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.832 3.102 -16.314 1.00 0.00 H new ATOM 949 N ASN E 52 119.161 6.844 -12.804 1.00 0.00 N ATOM 950 CA ASN E 52 119.397 7.870 -11.786 1.00 0.00 C ATOM 951 C ASN E 52 119.709 9.191 -12.483 1.00 0.00 C ATOM 952 O ASN E 52 119.238 10.256 -12.073 1.00 0.00 O ATOM 953 CB ASN E 52 120.570 7.454 -10.865 1.00 0.00 C ATOM 954 CG ASN E 52 120.623 8.370 -9.641 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.654 8.460 -8.886 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.705 9.057 -9.397 1.00 0.00 N ATOM 0 H ASN E 52 119.766 6.027 -12.720 1.00 0.00 H new ATOM 0 HA ASN E 52 118.507 7.985 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.446 6.418 -10.549 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.511 7.510 -11.413 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.748 9.668 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.508 8.983 -10.022 1.00 0.00 H new ATOM 963 N ASP E 53 120.479 9.086 -13.569 1.00 0.00 N ATOM 964 CA ASP E 53 120.839 10.244 -14.383 1.00 0.00 C ATOM 965 C ASP E 53 119.673 10.623 -15.313 1.00 0.00 C ATOM 966 O ASP E 53 119.483 11.796 -15.645 1.00 0.00 O ATOM 967 CB ASP E 53 122.086 9.925 -15.219 1.00 0.00 C ATOM 968 CG ASP E 53 122.547 11.172 -15.976 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.253 11.974 -15.385 1.00 0.00 O ATOM 970 OD2 ASP E 53 122.184 11.310 -17.134 1.00 0.00 O ATOM 0 H ASP E 53 120.866 8.204 -13.904 1.00 0.00 H new ATOM 0 HA ASP E 53 121.053 11.085 -13.723 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.886 9.568 -14.571 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.865 9.124 -15.924 1.00 0.00 H new ATOM 975 N ALA E 54 118.911 9.606 -15.738 1.00 0.00 N ATOM 976 CA ALA E 54 117.769 9.800 -16.641 1.00 0.00 C ATOM 977 C ALA E 54 116.633 10.572 -15.966 1.00 0.00 C ATOM 978 O ALA E 54 115.868 11.268 -16.641 1.00 0.00 O ATOM 979 CB ALA E 54 117.235 8.435 -17.104 1.00 0.00 C ATOM 0 H ALA E 54 119.067 8.635 -15.469 1.00 0.00 H new ATOM 0 HA ALA E 54 118.121 10.382 -17.493 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.388 8.584 -17.774 1.00 0.00 H new ATOM 0 HB2 ALA E 54 118.023 7.895 -17.630 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.915 7.856 -16.237 1.00 0.00 H new ATOM 985 N GLN E 55 116.520 10.428 -14.641 1.00 0.00 N ATOM 986 CA GLN E 55 115.459 11.095 -13.871 1.00 0.00 C ATOM 987 C GLN E 55 116.051 12.088 -12.875 1.00 0.00 C ATOM 988 O GLN E 55 115.341 12.645 -12.032 1.00 0.00 O ATOM 989 CB GLN E 55 114.606 10.045 -13.148 1.00 0.00 C ATOM 990 CG GLN E 55 114.006 9.091 -14.195 1.00 0.00 C ATOM 991 CD GLN E 55 112.950 8.163 -13.583 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.649 8.249 -12.317 1.00 0.00 O flip ATOM 993 NE2 GLN E 55 112.374 7.336 -14.289 1.00 0.00 N flip ATOM 0 H GLN E 55 117.149 9.856 -14.078 1.00 0.00 H new ATOM 0 HA GLN E 55 114.825 11.654 -14.559 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.215 9.489 -12.435 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.812 10.529 -12.579 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.556 9.672 -15.000 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.801 8.493 -14.639 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.604 7.263 -15.280 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.666 6.724 -13.883 1.00 0.00 H new ATOM 1002 N ALA E 56 117.358 12.290 -12.993 1.00 0.00 N ATOM 1003 CA ALA E 56 118.097 13.188 -12.135 1.00 0.00 C ATOM 1004 C ALA E 56 117.530 14.608 -12.184 1.00 0.00 C ATOM 1005 O ALA E 56 116.802 14.973 -13.112 1.00 0.00 O ATOM 1006 CB ALA E 56 119.567 13.187 -12.561 1.00 0.00 C ATOM 0 H ALA E 56 117.934 11.827 -13.696 1.00 0.00 H new ATOM 0 HA ALA E 56 118.008 12.839 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.132 13.862 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA E 56 119.971 12.178 -12.472 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.646 13.520 -13.596 1.00 0.00 H new ATOM 1013 N GLY F 14 120.108 10.826 8.927 1.00 0.00 N ATOM 1014 CA GLY F 14 119.228 10.255 9.947 1.00 0.00 C ATOM 1015 C GLY F 14 119.462 8.764 10.101 1.00 0.00 C ATOM 1016 O GLY F 14 120.485 8.233 9.658 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.401 10.753 10.901 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.188 10.437 9.677 1.00 0.00 H new ATOM 1020 N GLU F 15 118.501 8.094 10.734 1.00 0.00 N ATOM 1021 CA GLU F 15 118.588 6.661 10.950 1.00 0.00 C ATOM 1022 C GLU F 15 118.431 5.929 9.633 1.00 0.00 C ATOM 1023 O GLU F 15 117.662 6.352 8.766 1.00 0.00 O ATOM 1024 CB GLU F 15 117.481 6.199 11.892 1.00 0.00 C ATOM 1025 CG GLU F 15 117.792 4.787 12.391 1.00 0.00 C ATOM 1026 CD GLU F 15 116.692 4.296 13.337 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.574 4.116 12.877 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.982 4.109 14.509 1.00 0.00 O ATOM 0 H GLU F 15 117.654 8.526 11.105 1.00 0.00 H new ATOM 0 HA GLU F 15 119.561 6.441 11.388 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.397 6.884 12.736 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.521 6.211 11.376 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.881 4.107 11.544 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.752 4.781 12.907 1.00 0.00 H new ATOM 1035 N ILE F 16 119.148 4.821 9.507 1.00 0.00 N ATOM 1036 CA ILE F 16 119.086 4.002 8.307 1.00 0.00 C ATOM 1037 C ILE F 16 118.515 2.624 8.644 1.00 0.00 C ATOM 1038 O ILE F 16 118.754 2.087 9.729 1.00 0.00 O ATOM 1039 CB ILE F 16 120.478 3.850 7.699 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.064 5.230 7.335 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.374 2.986 6.435 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.508 5.072 6.831 1.00 0.00 C ATOM 0 H ILE F 16 119.781 4.469 10.225 1.00 0.00 H new ATOM 0 HA ILE F 16 118.435 4.492 7.582 1.00 0.00 H new ATOM 0 HB ILE F 16 121.137 3.376 8.426 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.452 5.703 6.567 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.044 5.884 8.207 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.363 2.870 5.991 1.00 0.00 H new ATOM 0 HG22 ILE F 16 119.976 2.005 6.696 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.709 3.468 5.718 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.914 6.051 6.576 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.118 4.618 7.612 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.517 4.434 5.947 1.00 0.00 H new ATOM 1054 N VAL F 17 117.755 2.075 7.697 1.00 0.00 N ATOM 1055 CA VAL F 17 117.121 0.767 7.856 1.00 0.00 C ATOM 1056 C VAL F 17 117.449 -0.126 6.658 1.00 0.00 C ATOM 1057 O VAL F 17 117.146 0.235 5.524 1.00 0.00 O ATOM 1058 CB VAL F 17 115.604 0.995 7.964 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.819 -0.298 7.677 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.268 1.500 9.376 1.00 0.00 C ATOM 0 H VAL F 17 117.562 2.523 6.801 1.00 0.00 H new ATOM 0 HA VAL F 17 117.490 0.267 8.751 1.00 0.00 H new ATOM 0 HB VAL F 17 115.314 1.736 7.220 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.750 -0.101 7.762 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.045 -0.645 6.669 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.105 -1.065 8.397 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.193 1.663 9.458 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.579 0.758 10.111 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.793 2.437 9.562 1.00 0.00 H new ATOM 1070 N TYR F 18 118.056 -1.294 6.927 1.00 0.00 N ATOM 1071 CA TYR F 18 118.420 -2.244 5.865 1.00 0.00 C ATOM 1072 C TYR F 18 117.385 -3.356 5.754 1.00 0.00 C ATOM 1073 O TYR F 18 116.919 -3.888 6.767 1.00 0.00 O ATOM 1074 CB TYR F 18 119.821 -2.842 6.136 1.00 0.00 C ATOM 1075 CG TYR F 18 120.869 -1.980 5.454 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.937 -0.615 5.752 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.742 -2.526 4.496 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.862 0.199 5.099 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.667 -1.708 3.852 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.725 -0.343 4.150 1.00 0.00 C ATOM 1081 OH TYR F 18 123.633 0.471 3.506 1.00 0.00 O ATOM 0 H TYR F 18 118.304 -1.601 7.868 1.00 0.00 H new ATOM 0 HA TYR F 18 118.445 -1.704 4.919 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.010 -2.886 7.209 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.873 -3.864 5.761 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.272 -0.191 6.489 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.695 -3.579 4.260 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.909 1.253 5.330 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.341 -2.129 3.121 1.00 0.00 H new ATOM 0 HH TYR F 18 124.538 0.119 3.637 1.00 0.00 H new ATOM 1091 N LEU F 19 117.034 -3.693 4.504 1.00 0.00 N ATOM 1092 CA LEU F 19 116.042 -4.748 4.229 1.00 0.00 C ATOM 1093 C LEU F 19 116.702 -5.933 3.485 1.00 0.00 C ATOM 1094 O LEU F 19 116.463 -6.133 2.288 1.00 0.00 O ATOM 1095 CB LEU F 19 114.880 -4.188 3.364 1.00 0.00 C ATOM 1096 CG LEU F 19 114.030 -3.110 4.090 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.769 -3.475 5.559 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.717 -1.738 4.007 1.00 0.00 C ATOM 0 H LEU F 19 117.420 -3.253 3.669 1.00 0.00 H new ATOM 0 HA LEU F 19 115.648 -5.096 5.184 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.292 -3.760 2.450 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.231 -5.011 3.066 1.00 0.00 H new ATOM 0 HG LEU F 19 113.067 -3.065 3.582 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.171 -2.693 6.027 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.231 -4.422 5.609 1.00 0.00 H new ATOM 0 HD13 LEU F 19 114.719 -3.569 6.085 1.00 0.00 H new ATOM 0 HD21 LEU F 19 114.108 -0.994 4.521 1.00 0.00 H new ATOM 0 HD22 LEU F 19 115.698 -1.793 4.480 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.834 -1.452 2.962 1.00 0.00 H new ATOM 1110 N PRO F 20 117.525 -6.723 4.163 1.00 0.00 N ATOM 1111 CA PRO F 20 118.212 -7.901 3.543 1.00 0.00 C ATOM 1112 C PRO F 20 117.298 -9.125 3.399 1.00 0.00 C ATOM 1113 O PRO F 20 117.165 -9.681 2.305 1.00 0.00 O ATOM 1114 CB PRO F 20 119.361 -8.191 4.514 1.00 0.00 C ATOM 1115 CG PRO F 20 118.865 -7.740 5.848 1.00 0.00 C ATOM 1116 CD PRO F 20 117.899 -6.581 5.589 1.00 0.00 C ATOM 0 HA PRO F 20 118.537 -7.687 2.525 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.610 -9.252 4.524 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.265 -7.654 4.227 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.362 -8.554 6.369 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.693 -7.420 6.481 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.024 -6.641 6.237 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.373 -5.618 5.781 1.00 0.00 H new ATOM 1124 N ASN F 21 116.695 -9.550 4.516 1.00 0.00 N ATOM 1125 CA ASN F 21 115.814 -10.731 4.526 1.00 0.00 C ATOM 1126 C ASN F 21 114.374 -10.389 4.120 1.00 0.00 C ATOM 1127 O ASN F 21 113.499 -11.261 4.140 1.00 0.00 O ATOM 1128 CB ASN F 21 115.811 -11.362 5.927 1.00 0.00 C ATOM 1129 CG ASN F 21 117.212 -11.842 6.317 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.983 -12.294 5.468 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.584 -11.776 7.564 1.00 0.00 N ATOM 0 H ASN F 21 116.799 -9.097 5.424 1.00 0.00 H new ATOM 0 HA ASN F 21 116.206 -11.435 3.792 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.456 -10.634 6.657 1.00 0.00 H new ATOM 0 HB3 ASN F 21 115.116 -12.201 5.950 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.512 -12.098 7.837 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.947 -11.402 8.267 1.00 0.00 H new ATOM 1138 N LEU F 22 114.134 -9.132 3.748 1.00 0.00 N ATOM 1139 CA LEU F 22 112.796 -8.696 3.336 1.00 0.00 C ATOM 1140 C LEU F 22 112.482 -9.227 1.934 1.00 0.00 C ATOM 1141 O LEU F 22 113.391 -9.396 1.115 1.00 0.00 O ATOM 1142 CB LEU F 22 112.738 -7.164 3.333 1.00 0.00 C ATOM 1143 CG LEU F 22 111.298 -6.668 3.592 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.157 -6.225 5.056 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.993 -5.489 2.652 1.00 0.00 C ATOM 0 H LEU F 22 114.843 -8.399 3.723 1.00 0.00 H new ATOM 0 HA LEU F 22 112.058 -9.087 4.037 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.406 -6.769 4.098 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.091 -6.784 2.374 1.00 0.00 H new ATOM 0 HG LEU F 22 110.591 -7.475 3.400 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.140 -5.876 5.234 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.372 -7.067 5.713 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.859 -5.417 5.261 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.978 -5.135 2.830 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.698 -4.680 2.842 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.087 -5.816 1.616 1.00 0.00 H new ATOM 1157 N ASN F 23 111.196 -9.484 1.657 1.00 0.00 N ATOM 1158 CA ASN F 23 110.794 -9.990 0.343 1.00 0.00 C ATOM 1159 C ASN F 23 110.736 -8.834 -0.662 1.00 0.00 C ATOM 1160 O ASN F 23 110.412 -7.706 -0.280 1.00 0.00 O ATOM 1161 CB ASN F 23 109.418 -10.676 0.437 1.00 0.00 C ATOM 1162 CG ASN F 23 109.584 -12.195 0.483 1.00 0.00 C ATOM 1163 OD1 ASN F 23 109.729 -12.837 -0.557 1.00 0.00 O ATOM 1164 ND2 ASN F 23 109.571 -12.811 1.632 1.00 0.00 N ATOM 0 H ASN F 23 110.429 -9.351 2.316 1.00 0.00 H new ATOM 0 HA ASN F 23 111.528 -10.721 0.005 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.894 -10.334 1.329 1.00 0.00 H new ATOM 0 HB3 ASN F 23 108.805 -10.396 -0.420 1.00 0.00 H new ATOM 0 HD21 ASN F 23 109.681 -13.824 1.669 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.451 -12.280 2.494 1.00 0.00 H new ATOM 1171 N PRO F 24 111.033 -9.072 -1.929 1.00 0.00 N ATOM 1172 CA PRO F 24 110.986 -7.991 -2.957 1.00 0.00 C ATOM 1173 C PRO F 24 109.591 -7.378 -3.030 1.00 0.00 C ATOM 1174 O PRO F 24 109.437 -6.175 -3.263 1.00 0.00 O ATOM 1175 CB PRO F 24 111.368 -8.682 -4.275 1.00 0.00 C ATOM 1176 CG PRO F 24 111.971 -9.998 -3.897 1.00 0.00 C ATOM 1177 CD PRO F 24 111.434 -10.365 -2.514 1.00 0.00 C ATOM 0 HA PRO F 24 111.662 -7.168 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.492 -8.823 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.077 -8.077 -4.840 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.709 -10.764 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO F 24 113.059 -9.932 -3.881 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.589 -11.050 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.195 -10.858 -1.909 1.00 0.00 H new ATOM 1185 N ASP F 25 108.580 -8.219 -2.787 1.00 0.00 N ATOM 1186 CA ASP F 25 107.189 -7.771 -2.777 1.00 0.00 C ATOM 1187 C ASP F 25 107.018 -6.722 -1.687 1.00 0.00 C ATOM 1188 O ASP F 25 106.395 -5.676 -1.889 1.00 0.00 O ATOM 1189 CB ASP F 25 106.274 -8.956 -2.466 1.00 0.00 C ATOM 1190 CG ASP F 25 104.809 -8.549 -2.635 1.00 0.00 C ATOM 1191 OD1 ASP F 25 104.328 -8.587 -3.757 1.00 0.00 O ATOM 1192 OD2 ASP F 25 104.188 -8.203 -1.642 1.00 0.00 O ATOM 0 H ASP F 25 108.702 -9.213 -2.595 1.00 0.00 H new ATOM 0 HA ASP F 25 106.932 -7.352 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.507 -9.789 -3.130 1.00 0.00 H new ATOM 0 HB3 ASP F 25 106.448 -9.302 -1.447 1.00 0.00 H new ATOM 1197 N GLN F 26 107.608 -7.032 -0.533 1.00 0.00 N ATOM 1198 CA GLN F 26 107.569 -6.149 0.618 1.00 0.00 C ATOM 1199 C GLN F 26 108.322 -4.848 0.317 1.00 0.00 C ATOM 1200 O GLN F 26 107.900 -3.776 0.755 1.00 0.00 O ATOM 1201 CB GLN F 26 108.160 -6.863 1.840 1.00 0.00 C ATOM 1202 CG GLN F 26 107.271 -8.053 2.241 1.00 0.00 C ATOM 1203 CD GLN F 26 105.877 -7.571 2.646 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.750 -6.697 3.604 1.00 0.00 O flip ATOM 1205 NE2 GLN F 26 104.877 -8.001 2.070 1.00 0.00 N flip ATOM 0 H GLN F 26 108.122 -7.899 -0.376 1.00 0.00 H new ATOM 0 HA GLN F 26 106.533 -5.891 0.839 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.168 -7.212 1.614 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.244 -6.165 2.673 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.192 -8.752 1.408 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.730 -8.594 3.069 1.00 0.00 H new ATOM 0 HE21 GLN F 26 104.975 -8.685 1.320 1.00 0.00 H new ATOM 0 HE22 GLN F 26 103.951 -7.673 2.343 1.00 0.00 H new ATOM 1214 N LEU F 27 109.425 -4.944 -0.451 1.00 0.00 N ATOM 1215 CA LEU F 27 110.201 -3.750 -0.819 1.00 0.00 C ATOM 1216 C LEU F 27 109.351 -2.812 -1.674 1.00 0.00 C ATOM 1217 O LEU F 27 109.328 -1.606 -1.441 1.00 0.00 O ATOM 1218 CB LEU F 27 111.472 -4.124 -1.610 1.00 0.00 C ATOM 1219 CG LEU F 27 112.599 -4.579 -0.667 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.783 -5.100 -1.495 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.068 -3.395 0.201 1.00 0.00 C ATOM 0 H LEU F 27 109.792 -5.821 -0.822 1.00 0.00 H new ATOM 0 HA LEU F 27 110.494 -3.255 0.107 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.242 -4.921 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.806 -3.266 -2.193 1.00 0.00 H new ATOM 0 HG LEU F 27 112.224 -5.373 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.581 -5.422 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.458 -5.943 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.152 -4.305 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.866 -3.725 0.866 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.438 -2.597 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.232 -3.025 0.794 1.00 0.00 H new ATOM 1233 N CYS F 28 108.655 -3.374 -2.669 1.00 0.00 N ATOM 1234 CA CYS F 28 107.808 -2.569 -3.558 1.00 0.00 C ATOM 1235 C CYS F 28 106.726 -1.844 -2.757 1.00 0.00 C ATOM 1236 O CYS F 28 106.532 -0.635 -2.915 1.00 0.00 O ATOM 1237 CB CYS F 28 107.164 -3.464 -4.628 1.00 0.00 C ATOM 1238 SG CYS F 28 106.521 -2.438 -5.975 1.00 0.00 S ATOM 0 H CYS F 28 108.660 -4.372 -2.878 1.00 0.00 H new ATOM 0 HA CYS F 28 108.433 -1.823 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.898 -4.171 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.358 -4.051 -4.188 1.00 0.00 H new ATOM 1243 N ALA F 29 106.047 -2.589 -1.880 1.00 0.00 N ATOM 1244 CA ALA F 29 105.006 -2.010 -1.032 1.00 0.00 C ATOM 1245 C ALA F 29 105.622 -0.977 -0.087 1.00 0.00 C ATOM 1246 O ALA F 29 105.033 0.077 0.174 1.00 0.00 O ATOM 1247 CB ALA F 29 104.325 -3.115 -0.215 1.00 0.00 C ATOM 0 H ALA F 29 106.199 -3.588 -1.740 1.00 0.00 H new ATOM 0 HA ALA F 29 104.264 -1.522 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.550 -2.677 0.415 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.875 -3.842 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.065 -3.612 0.413 1.00 0.00 H new ATOM 1253 N PHE F 30 106.819 -1.298 0.411 1.00 0.00 N ATOM 1254 CA PHE F 30 107.544 -0.417 1.324 1.00 0.00 C ATOM 1255 C PHE F 30 107.863 0.918 0.647 1.00 0.00 C ATOM 1256 O PHE F 30 107.545 1.979 1.185 1.00 0.00 O ATOM 1257 CB PHE F 30 108.837 -1.125 1.776 1.00 0.00 C ATOM 1258 CG PHE F 30 109.718 -0.197 2.589 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.203 0.457 3.718 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.060 0.004 2.216 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.019 1.305 4.468 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.871 0.853 2.970 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.351 1.503 4.096 1.00 0.00 C ATOM 0 H PHE F 30 107.307 -2.167 0.194 1.00 0.00 H new ATOM 0 HA PHE F 30 106.924 -0.203 2.195 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.585 -2.003 2.370 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.385 -1.478 0.903 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.174 0.304 4.007 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.461 -0.498 1.348 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.621 1.808 5.336 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.901 1.009 2.685 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.981 2.159 4.678 1.00 0.00 H new ATOM 1273 N ILE F 31 108.484 0.854 -0.536 1.00 0.00 N ATOM 1274 CA ILE F 31 108.841 2.066 -1.284 1.00 0.00 C ATOM 1275 C ILE F 31 107.594 2.890 -1.598 1.00 0.00 C ATOM 1276 O ILE F 31 107.614 4.122 -1.496 1.00 0.00 O ATOM 1277 CB ILE F 31 109.589 1.693 -2.578 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.902 0.983 -2.209 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.917 2.960 -3.391 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.591 0.442 -3.465 1.00 0.00 C ATOM 0 H ILE F 31 108.749 -0.018 -0.994 1.00 0.00 H new ATOM 0 HA ILE F 31 109.502 2.674 -0.667 1.00 0.00 H new ATOM 0 HB ILE F 31 108.957 1.038 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.565 1.678 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.698 0.165 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.445 2.681 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE F 31 108.992 3.475 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.546 3.622 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.519 -0.057 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE F 31 110.932 -0.269 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.813 1.267 -4.142 1.00 0.00 H new ATOM 1292 N HIS F 32 106.513 2.199 -1.969 1.00 0.00 N ATOM 1293 CA HIS F 32 105.245 2.859 -2.289 1.00 0.00 C ATOM 1294 C HIS F 32 104.737 3.642 -1.073 1.00 0.00 C ATOM 1295 O HIS F 32 104.243 4.763 -1.210 1.00 0.00 O ATOM 1296 CB HIS F 32 104.207 1.807 -2.707 1.00 0.00 C ATOM 1297 CG HIS F 32 103.074 2.463 -3.452 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.184 3.333 -2.840 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.667 2.373 -4.761 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.294 3.724 -3.773 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.544 3.169 -4.960 1.00 0.00 N ATOM 0 H HIS F 32 106.491 1.183 -2.055 1.00 0.00 H new ATOM 0 HA HIS F 32 105.403 3.555 -3.113 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.677 1.052 -3.337 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.823 1.293 -1.825 1.00 0.00 H new ATOM 0 HD1 HIS F 32 102.200 3.624 -1.862 1.00 0.00 H new ATOM 0 HD2 HIS F 32 103.147 1.774 -5.521 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.477 4.404 -3.583 1.00 0.00 H new ATOM 1310 N SER F 33 104.879 3.031 0.111 1.00 0.00 N ATOM 1311 CA SER F 33 104.447 3.660 1.362 1.00 0.00 C ATOM 1312 C SER F 33 105.299 4.894 1.690 1.00 0.00 C ATOM 1313 O SER F 33 104.765 5.918 2.128 1.00 0.00 O ATOM 1314 CB SER F 33 104.532 2.650 2.513 1.00 0.00 C ATOM 1315 OG SER F 33 103.792 1.483 2.172 1.00 0.00 O ATOM 0 H SER F 33 105.289 2.104 0.227 1.00 0.00 H new ATOM 0 HA SER F 33 103.414 3.984 1.236 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.573 2.390 2.708 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.137 3.091 3.428 1.00 0.00 H new ATOM 0 HG SER F 33 104.327 0.919 1.575 1.00 0.00 H new ATOM 1321 N LEU F 34 106.623 4.789 1.479 1.00 0.00 N ATOM 1322 CA LEU F 34 107.536 5.905 1.759 1.00 0.00 C ATOM 1323 C LEU F 34 107.146 7.130 0.928 1.00 0.00 C ATOM 1324 O LEU F 34 107.257 8.268 1.394 1.00 0.00 O ATOM 1325 CB LEU F 34 108.995 5.517 1.425 1.00 0.00 C ATOM 1326 CG LEU F 34 109.464 4.324 2.283 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.702 3.664 1.638 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.826 4.817 3.688 1.00 0.00 C ATOM 0 H LEU F 34 107.079 3.950 1.119 1.00 0.00 H new ATOM 0 HA LEU F 34 107.461 6.140 2.821 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.074 5.262 0.368 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.650 6.371 1.596 1.00 0.00 H new ATOM 0 HG LEU F 34 108.659 3.592 2.346 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.026 2.823 2.250 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.446 3.309 0.640 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.508 4.394 1.568 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.158 3.975 4.295 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.627 5.553 3.620 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.951 5.275 4.150 1.00 0.00 H new ATOM 1340 N HIS F 35 106.702 6.880 -0.308 1.00 0.00 N ATOM 1341 CA HIS F 35 106.305 7.952 -1.225 1.00 0.00 C ATOM 1342 C HIS F 35 104.886 8.462 -0.941 1.00 0.00 C ATOM 1343 O HIS F 35 104.605 9.645 -1.155 1.00 0.00 O ATOM 1344 CB HIS F 35 106.408 7.447 -2.672 1.00 0.00 C ATOM 1345 CG HIS F 35 107.854 7.415 -3.089 1.00 0.00 C ATOM 1346 ND1 HIS F 35 108.659 6.304 -2.886 1.00 0.00 N ATOM 1347 CD2 HIS F 35 108.653 8.349 -3.701 1.00 0.00 C ATOM 1348 CE1 HIS F 35 109.882 6.596 -3.366 1.00 0.00 C ATOM 1349 NE2 HIS F 35 109.933 7.830 -3.874 1.00 0.00 N ATOM 0 H HIS F 35 106.609 5.942 -0.697 1.00 0.00 H new ATOM 0 HA HIS F 35 106.983 8.792 -1.074 1.00 0.00 H new ATOM 0 HB2 HIS F 35 105.973 6.451 -2.753 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.841 8.098 -3.337 1.00 0.00 H new ATOM 0 HD1 HIS F 35 108.376 5.426 -2.452 1.00 0.00 H new ATOM 0 HD2 HIS F 35 108.336 9.337 -4.002 1.00 0.00 H new ATOM 0 HE1 HIS F 35 110.720 5.915 -3.343 1.00 0.00 H new ATOM 1358 N ASP F 36 103.997 7.576 -0.467 1.00 0.00 N ATOM 1359 CA ASP F 36 102.611 7.972 -0.168 1.00 0.00 C ATOM 1360 C ASP F 36 102.582 9.090 0.875 1.00 0.00 C ATOM 1361 O ASP F 36 101.771 10.016 0.779 1.00 0.00 O ATOM 1362 CB ASP F 36 101.803 6.767 0.353 1.00 0.00 C ATOM 1363 CG ASP F 36 101.605 5.701 -0.738 1.00 0.00 C ATOM 1364 OD1 ASP F 36 101.634 6.041 -1.913 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.413 4.550 -0.377 1.00 0.00 O ATOM 0 H ASP F 36 104.207 6.595 -0.284 1.00 0.00 H new ATOM 0 HA ASP F 36 102.160 8.334 -1.092 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.318 6.324 1.205 1.00 0.00 H new ATOM 0 HB3 ASP F 36 100.831 7.107 0.710 1.00 0.00 H new ATOM 1370 N ASP F 37 103.475 8.992 1.861 1.00 0.00 N ATOM 1371 CA ASP F 37 103.566 9.990 2.924 1.00 0.00 C ATOM 1372 C ASP F 37 105.008 10.027 3.472 1.00 0.00 C ATOM 1373 O ASP F 37 105.436 9.066 4.117 1.00 0.00 O ATOM 1374 CB ASP F 37 102.569 9.648 4.042 1.00 0.00 C ATOM 1375 CG ASP F 37 102.529 10.772 5.076 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.522 10.962 5.753 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.504 11.430 5.175 1.00 0.00 O ATOM 0 H ASP F 37 104.147 8.229 1.944 1.00 0.00 H new ATOM 0 HA ASP F 37 103.317 10.974 2.528 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.576 9.497 3.620 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.857 8.713 4.522 1.00 0.00 H new ATOM 1382 N PRO F 38 105.780 11.090 3.219 1.00 0.00 N ATOM 1383 CA PRO F 38 107.196 11.170 3.706 1.00 0.00 C ATOM 1384 C PRO F 38 107.299 11.203 5.233 1.00 0.00 C ATOM 1385 O PRO F 38 108.220 10.619 5.804 1.00 0.00 O ATOM 1386 CB PRO F 38 107.744 12.462 3.081 1.00 0.00 C ATOM 1387 CG PRO F 38 106.553 13.284 2.722 1.00 0.00 C ATOM 1388 CD PRO F 38 105.406 12.311 2.461 1.00 0.00 C ATOM 0 HA PRO F 38 107.764 10.286 3.416 1.00 0.00 H new ATOM 0 HB2 PRO F 38 108.387 12.993 3.783 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.347 12.244 2.200 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.300 13.971 3.529 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.754 13.890 1.839 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.454 12.717 2.805 1.00 0.00 H new ATOM 0 HD3 PRO F 38 105.297 12.101 1.397 1.00 0.00 H new ATOM 1396 N SER F 39 106.357 11.890 5.887 1.00 0.00 N ATOM 1397 CA SER F 39 106.368 11.991 7.350 1.00 0.00 C ATOM 1398 C SER F 39 106.262 10.606 7.996 1.00 0.00 C ATOM 1399 O SER F 39 106.870 10.354 9.040 1.00 0.00 O ATOM 1400 CB SER F 39 105.212 12.880 7.832 1.00 0.00 C ATOM 1401 OG SER F 39 105.238 14.115 7.124 1.00 0.00 O ATOM 0 H SER F 39 105.586 12.379 5.433 1.00 0.00 H new ATOM 0 HA SER F 39 107.315 12.441 7.649 1.00 0.00 H new ATOM 0 HB2 SER F 39 104.259 12.376 7.671 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.300 13.060 8.903 1.00 0.00 H new ATOM 0 HG SER F 39 104.500 14.683 7.429 1.00 0.00 H new ATOM 1407 N GLN F 40 105.477 9.720 7.372 1.00 0.00 N ATOM 1408 CA GLN F 40 105.278 8.360 7.887 1.00 0.00 C ATOM 1409 C GLN F 40 106.456 7.440 7.554 1.00 0.00 C ATOM 1410 O GLN F 40 106.516 6.322 8.068 1.00 0.00 O ATOM 1411 CB GLN F 40 103.996 7.757 7.285 1.00 0.00 C ATOM 1412 CG GLN F 40 102.806 7.977 8.224 1.00 0.00 C ATOM 1413 CD GLN F 40 102.467 9.463 8.307 1.00 0.00 C ATOM 1414 OE1 GLN F 40 103.194 10.233 8.933 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.400 9.913 7.708 1.00 0.00 N ATOM 0 H GLN F 40 104.969 9.920 6.510 1.00 0.00 H new ATOM 0 HA GLN F 40 105.197 8.435 8.971 1.00 0.00 H new ATOM 0 HB2 GLN F 40 103.792 8.214 6.317 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.136 6.690 7.110 1.00 0.00 H new ATOM 0 HG2 GLN F 40 101.942 7.419 7.864 1.00 0.00 H new ATOM 0 HG3 GLN F 40 103.042 7.594 9.217 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.798 9.273 7.189 1.00 0.00 H new ATOM 0 HE22 GLN F 40 101.167 10.905 7.758 1.00 0.00 H new ATOM 1424 N SER F 41 107.370 7.889 6.679 1.00 0.00 N ATOM 1425 CA SER F 41 108.513 7.053 6.274 1.00 0.00 C ATOM 1426 C SER F 41 109.283 6.533 7.489 1.00 0.00 C ATOM 1427 O SER F 41 109.710 5.378 7.512 1.00 0.00 O ATOM 1428 CB SER F 41 109.457 7.846 5.363 1.00 0.00 C ATOM 1429 OG SER F 41 110.122 8.850 6.122 1.00 0.00 O ATOM 0 H SER F 41 107.342 8.811 6.244 1.00 0.00 H new ATOM 0 HA SER F 41 108.118 6.196 5.728 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.187 7.177 4.908 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.894 8.304 4.550 1.00 0.00 H new ATOM 0 HG SER F 41 109.520 9.612 6.255 1.00 0.00 H new ATOM 1435 N ALA F 42 109.433 7.391 8.492 1.00 0.00 N ATOM 1436 CA ALA F 42 110.131 7.025 9.724 1.00 0.00 C ATOM 1437 C ALA F 42 109.412 5.862 10.416 1.00 0.00 C ATOM 1438 O ALA F 42 110.045 4.872 10.792 1.00 0.00 O ATOM 1439 CB ALA F 42 110.195 8.233 10.667 1.00 0.00 C ATOM 0 H ALA F 42 109.080 8.348 8.478 1.00 0.00 H new ATOM 0 HA ALA F 42 111.145 6.713 9.473 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.716 7.953 11.582 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.731 9.047 10.179 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.184 8.558 10.910 1.00 0.00 H new ATOM 1445 N ASN F 43 108.085 5.977 10.560 1.00 0.00 N ATOM 1446 CA ASN F 43 107.298 4.910 11.185 1.00 0.00 C ATOM 1447 C ASN F 43 107.354 3.656 10.320 1.00 0.00 C ATOM 1448 O ASN F 43 107.484 2.542 10.833 1.00 0.00 O ATOM 1449 CB ASN F 43 105.840 5.342 11.369 1.00 0.00 C ATOM 1450 CG ASN F 43 105.750 6.441 12.423 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.406 7.581 12.111 1.00 0.00 O ATOM 1452 ND2 ASN F 43 106.034 6.161 13.664 1.00 0.00 N ATOM 0 H ASN F 43 107.542 6.786 10.257 1.00 0.00 H new ATOM 0 HA ASN F 43 107.723 4.700 12.166 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.436 5.701 10.422 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.234 4.487 11.670 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.971 6.887 14.378 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.319 5.216 13.921 1.00 0.00 H new ATOM 1459 N LEU F 44 107.275 3.857 8.999 1.00 0.00 N ATOM 1460 CA LEU F 44 107.339 2.749 8.047 1.00 0.00 C ATOM 1461 C LEU F 44 108.683 2.046 8.166 1.00 0.00 C ATOM 1462 O LEU F 44 108.766 0.829 8.028 1.00 0.00 O ATOM 1463 CB LEU F 44 107.161 3.264 6.612 1.00 0.00 C ATOM 1464 CG LEU F 44 105.725 3.776 6.401 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.688 4.697 5.173 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.780 2.587 6.175 1.00 0.00 C ATOM 0 H LEU F 44 107.167 4.776 8.569 1.00 0.00 H new ATOM 0 HA LEU F 44 106.536 2.048 8.275 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.873 4.066 6.416 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.377 2.465 5.903 1.00 0.00 H new ATOM 0 HG LEU F 44 105.405 4.329 7.284 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.672 5.061 5.022 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.356 5.543 5.333 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.010 4.142 4.292 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.764 2.953 6.026 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.099 2.031 5.293 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.805 1.931 7.045 1.00 0.00 H new ATOM 1478 N LEU F 45 109.728 2.833 8.436 1.00 0.00 N ATOM 1479 CA LEU F 45 111.076 2.296 8.590 1.00 0.00 C ATOM 1480 C LEU F 45 111.121 1.315 9.754 1.00 0.00 C ATOM 1481 O LEU F 45 111.796 0.290 9.678 1.00 0.00 O ATOM 1482 CB LEU F 45 112.086 3.437 8.826 1.00 0.00 C ATOM 1483 CG LEU F 45 113.021 3.553 7.615 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.257 4.175 6.431 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.235 4.440 7.956 1.00 0.00 C ATOM 0 H LEU F 45 109.663 3.844 8.552 1.00 0.00 H new ATOM 0 HA LEU F 45 111.346 1.772 7.673 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.558 4.378 8.982 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.665 3.243 9.729 1.00 0.00 H new ATOM 0 HG LEU F 45 113.372 2.556 7.348 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.922 4.257 5.571 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.408 3.542 6.173 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.900 5.167 6.709 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.889 4.512 7.087 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.891 5.436 8.235 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.785 4.000 8.788 1.00 0.00 H new ATOM 1497 N ALA F 46 110.393 1.638 10.825 1.00 0.00 N ATOM 1498 CA ALA F 46 110.349 0.779 12.000 1.00 0.00 C ATOM 1499 C ALA F 46 109.761 -0.583 11.638 1.00 0.00 C ATOM 1500 O ALA F 46 110.421 -1.605 11.806 1.00 0.00 O ATOM 1501 CB ALA F 46 109.508 1.438 13.102 1.00 0.00 C ATOM 0 H ALA F 46 109.830 2.485 10.899 1.00 0.00 H new ATOM 0 HA ALA F 46 111.365 0.636 12.367 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.481 0.788 13.977 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.952 2.395 13.375 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.493 1.599 12.738 1.00 0.00 H new ATOM 1507 N GLU F 47 108.522 -0.588 11.132 1.00 0.00 N ATOM 1508 CA GLU F 47 107.861 -1.840 10.752 1.00 0.00 C ATOM 1509 C GLU F 47 108.613 -2.544 9.624 1.00 0.00 C ATOM 1510 O GLU F 47 108.775 -3.765 9.654 1.00 0.00 O ATOM 1511 CB GLU F 47 106.430 -1.569 10.287 1.00 0.00 C ATOM 1512 CG GLU F 47 105.575 -1.005 11.435 1.00 0.00 C ATOM 1513 CD GLU F 47 105.526 -1.968 12.631 1.00 0.00 C ATOM 1514 OE1 GLU F 47 105.174 -3.122 12.432 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.836 -1.536 13.730 1.00 0.00 O ATOM 0 H GLU F 47 107.963 0.251 10.978 1.00 0.00 H new ATOM 0 HA GLU F 47 107.853 -2.482 11.633 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.441 -0.863 9.456 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.984 -2.491 9.916 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.983 -0.046 11.756 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.563 -0.817 11.077 1.00 0.00 H new ATOM 1522 N ALA F 48 109.077 -1.768 8.636 1.00 0.00 N ATOM 1523 CA ALA F 48 109.821 -2.333 7.508 1.00 0.00 C ATOM 1524 C ALA F 48 111.061 -3.037 8.035 1.00 0.00 C ATOM 1525 O ALA F 48 111.400 -4.140 7.603 1.00 0.00 O ATOM 1526 CB ALA F 48 110.228 -1.229 6.528 1.00 0.00 C ATOM 0 H ALA F 48 108.951 -0.757 8.596 1.00 0.00 H new ATOM 0 HA ALA F 48 109.186 -3.045 6.980 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.780 -1.666 5.696 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.335 -0.731 6.150 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.859 -0.502 7.040 1.00 0.00 H new ATOM 1532 N LYS F 49 111.708 -2.397 9.003 1.00 0.00 N ATOM 1533 CA LYS F 49 112.873 -2.968 9.629 1.00 0.00 C ATOM 1534 C LYS F 49 112.460 -4.209 10.429 1.00 0.00 C ATOM 1535 O LYS F 49 113.161 -5.223 10.410 1.00 0.00 O ATOM 1536 CB LYS F 49 113.509 -1.926 10.548 1.00 0.00 C ATOM 1537 CG LYS F 49 114.760 -2.514 11.211 1.00 0.00 C ATOM 1538 CD LYS F 49 115.044 -1.766 12.522 1.00 0.00 C ATOM 1539 CE LYS F 49 113.933 -2.019 13.562 1.00 0.00 C ATOM 1540 NZ LYS F 49 113.526 -3.458 13.559 1.00 0.00 N ATOM 0 H LYS F 49 111.437 -1.482 9.365 1.00 0.00 H new ATOM 0 HA LYS F 49 113.600 -3.263 8.873 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.773 -1.036 9.976 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.794 -1.615 11.310 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.614 -3.576 11.410 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.614 -2.430 10.539 1.00 0.00 H new ATOM 0 HD2 LYS F 49 116.004 -2.087 12.926 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.123 -0.697 12.324 1.00 0.00 H new ATOM 0 HE2 LYS F 49 114.285 -1.737 14.554 1.00 0.00 H new ATOM 0 HE3 LYS F 49 113.070 -1.391 13.340 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 113.205 -3.730 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 112.752 -3.598 12.879 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 114.338 -4.048 13.286 1.00 0.00 H new ATOM 1554 N LYS F 50 111.309 -4.127 11.128 1.00 0.00 N ATOM 1555 CA LYS F 50 110.823 -5.264 11.920 1.00 0.00 C ATOM 1556 C LYS F 50 110.606 -6.475 11.021 1.00 0.00 C ATOM 1557 O LYS F 50 110.848 -7.606 11.437 1.00 0.00 O ATOM 1558 CB LYS F 50 109.512 -4.924 12.651 1.00 0.00 C ATOM 1559 CG LYS F 50 109.779 -3.984 13.832 1.00 0.00 C ATOM 1560 CD LYS F 50 108.456 -3.692 14.559 1.00 0.00 C ATOM 1561 CE LYS F 50 108.554 -2.356 15.298 1.00 0.00 C ATOM 1562 NZ LYS F 50 107.297 -2.117 16.061 1.00 0.00 N ATOM 0 H LYS F 50 110.712 -3.300 11.158 1.00 0.00 H new ATOM 0 HA LYS F 50 111.582 -5.493 12.668 1.00 0.00 H new ATOM 0 HB2 LYS F 50 108.814 -4.455 11.957 1.00 0.00 H new ATOM 0 HB3 LYS F 50 109.041 -5.840 13.008 1.00 0.00 H new ATOM 0 HG2 LYS F 50 110.492 -4.439 14.519 1.00 0.00 H new ATOM 0 HG3 LYS F 50 110.225 -3.055 13.478 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.636 -3.662 13.842 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.234 -4.493 15.264 1.00 0.00 H new ATOM 0 HE2 LYS F 50 109.407 -2.365 15.976 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.720 -1.546 14.587 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 107.441 -1.334 16.730 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 106.531 -1.873 15.401 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 107.040 -2.978 16.586 1.00 0.00 H new ATOM 1576 N LEU F 51 110.174 -6.227 9.777 1.00 0.00 N ATOM 1577 CA LEU F 51 109.962 -7.310 8.817 1.00 0.00 C ATOM 1578 C LEU F 51 111.265 -8.028 8.541 1.00 0.00 C ATOM 1579 O LEU F 51 111.292 -9.246 8.421 1.00 0.00 O ATOM 1580 CB LEU F 51 109.442 -6.771 7.492 1.00 0.00 C ATOM 1581 CG LEU F 51 107.979 -6.359 7.579 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.564 -5.796 6.216 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.106 -7.580 7.944 1.00 0.00 C ATOM 0 H LEU F 51 109.967 -5.295 9.418 1.00 0.00 H new ATOM 0 HA LEU F 51 109.232 -7.992 9.253 1.00 0.00 H new ATOM 0 HB2 LEU F 51 110.043 -5.914 7.189 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.559 -7.532 6.720 1.00 0.00 H new ATOM 0 HG LEU F 51 107.843 -5.604 8.353 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.518 -5.493 6.251 1.00 0.00 H new ATOM 0 HD12 LEU F 51 108.184 -4.933 5.975 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.694 -6.562 5.451 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.061 -7.275 8.004 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.217 -8.348 7.179 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.423 -7.979 8.907 1.00 0.00 H new ATOM 1595 N ASN F 52 112.345 -7.255 8.451 1.00 0.00 N ATOM 1596 CA ASN F 52 113.659 -7.830 8.208 1.00 0.00 C ATOM 1597 C ASN F 52 113.962 -8.842 9.326 1.00 0.00 C ATOM 1598 O ASN F 52 114.574 -9.887 9.088 1.00 0.00 O ATOM 1599 CB ASN F 52 114.719 -6.696 8.121 1.00 0.00 C ATOM 1600 CG ASN F 52 115.814 -6.858 9.167 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.909 -7.337 8.873 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.563 -6.483 10.380 1.00 0.00 N ATOM 0 H ASN F 52 112.334 -6.239 8.542 1.00 0.00 H new ATOM 0 HA ASN F 52 113.687 -8.360 7.256 1.00 0.00 H new ATOM 0 HB2 ASN F 52 115.165 -6.692 7.127 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.230 -5.731 8.255 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.276 -6.583 11.103 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.652 -6.087 10.613 1.00 0.00 H new ATOM 1609 N ASP F 53 113.483 -8.518 10.537 1.00 0.00 N ATOM 1610 CA ASP F 53 113.645 -9.387 11.703 1.00 0.00 C ATOM 1611 C ASP F 53 112.587 -10.502 11.682 1.00 0.00 C ATOM 1612 O ASP F 53 112.841 -11.624 12.132 1.00 0.00 O ATOM 1613 CB ASP F 53 113.514 -8.566 12.998 1.00 0.00 C ATOM 1614 CG ASP F 53 114.561 -7.443 13.029 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.741 -7.758 13.077 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.168 -6.286 13.000 1.00 0.00 O ATOM 0 H ASP F 53 112.978 -7.653 10.730 1.00 0.00 H new ATOM 0 HA ASP F 53 114.637 -9.838 11.668 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.513 -8.140 13.066 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.644 -9.216 13.863 1.00 0.00 H new ATOM 1621 N ALA F 54 111.396 -10.165 11.170 1.00 0.00 N ATOM 1622 CA ALA F 54 110.270 -11.108 11.090 1.00 0.00 C ATOM 1623 C ALA F 54 110.473 -12.161 9.995 1.00 0.00 C ATOM 1624 O ALA F 54 110.087 -13.321 10.162 1.00 0.00 O ATOM 1625 CB ALA F 54 108.973 -10.339 10.813 1.00 0.00 C ATOM 0 H ALA F 54 111.185 -9.238 10.801 1.00 0.00 H new ATOM 0 HA ALA F 54 110.211 -11.627 12.047 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.140 -11.040 10.754 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.793 -9.628 11.619 1.00 0.00 H new ATOM 0 HB3 ALA F 54 109.063 -9.802 9.869 1.00 0.00 H new ATOM 1631 N GLN F 55 111.063 -11.737 8.873 1.00 0.00 N ATOM 1632 CA GLN F 55 111.306 -12.622 7.731 1.00 0.00 C ATOM 1633 C GLN F 55 112.702 -13.235 7.804 1.00 0.00 C ATOM 1634 O GLN F 55 113.074 -14.065 6.971 1.00 0.00 O ATOM 1635 CB GLN F 55 111.157 -11.838 6.421 1.00 0.00 C ATOM 1636 CG GLN F 55 109.736 -11.268 6.329 1.00 0.00 C ATOM 1637 CD GLN F 55 109.487 -10.691 4.937 1.00 0.00 C ATOM 1638 OE1 GLN F 55 109.129 -11.423 4.016 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.658 -9.417 4.728 1.00 0.00 N ATOM 0 H GLN F 55 111.383 -10.779 8.732 1.00 0.00 H new ATOM 0 HA GLN F 55 110.571 -13.427 7.761 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.888 -11.030 6.382 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.356 -12.489 5.570 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.008 -12.051 6.541 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.598 -10.492 7.082 1.00 0.00 H new ATOM 0 HE21 GLN F 55 109.955 -8.810 5.492 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.495 -9.026 3.800 1.00 0.00 H new ATOM 1648 N ALA F 56 113.463 -12.803 8.803 1.00 0.00 N ATOM 1649 CA ALA F 56 114.820 -13.269 9.011 1.00 0.00 C ATOM 1650 C ALA F 56 114.868 -14.781 9.255 1.00 0.00 C ATOM 1651 O ALA F 56 113.838 -15.420 9.490 1.00 0.00 O ATOM 1652 CB ALA F 56 115.423 -12.526 10.208 1.00 0.00 C ATOM 0 H ALA F 56 113.151 -12.118 9.491 1.00 0.00 H new ATOM 0 HA ALA F 56 115.398 -13.065 8.110 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.444 -12.870 10.373 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.429 -11.455 10.006 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.826 -12.724 11.098 1.00 0.00 H new