USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=17 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= -0.279 X(o=-0.95,f=-0.6) USER MOD Set 1.2: F 55 GLN : amide:sc= -0.666 K(o=-0.95,f=-3.1) USER MOD Set 2.1: E 39 SER OG : rot 180:sc= -0.333 USER MOD Set 2.2: E 40 GLN : amide:sc= -0.664 X(o=-1,f=-1.5) USER MOD Set 3.1: E 23 ASN :FLIP amide:sc= -5.9! C(o=-6.3!,f=-6.1!) USER MOD Set 3.2: E 55 GLN :FLIP amide:sc= -0.242 F(o=-7.3!,f=-6.1) USER MOD Set 4.1: E 21 ASN : amide:sc= -2.51 K(o=-2.4,f=-7.6!) USER MOD Set 4.2: E 52 ASN :FLIP amide:sc= 0.118 F(o=-4.6,f=-2.4) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl 148:sc= -0.204 (180deg=-1.72!) USER MOD Single : E 18 TYR OH : rot 143:sc= 0.934 USER MOD Single : E 26 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.23) USER MOD Single : E 32 HIS : +bothHN:sc= 1.42 K(o=1.4,f=-4.9!) USER MOD Single : E 33 SER OG : rot 83:sc= 1.06 USER MOD Single : E 35 HIS : no HD1:sc= -0.571 X(o=-0.57,f=-1) USER MOD Single : E 41 SER OG : rot -93:sc= 1.03 USER MOD Single : E 43 ASN : amide:sc=-0.00869 X(o=-0.0087,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -135:sc= 1.1 (180deg=0.0798) USER MOD Single : E 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 18 TYR OH : rot 138:sc= 0.846 USER MOD Single : F 21 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.75) USER MOD Single : F 26 GLN :FLIP amide:sc= -0.307 F(o=-1.7,f=-0.31) USER MOD Single : F 32 HIS : no HD1:sc= -0.557 K(o=-0.56,f=-1.8) USER MOD Single : F 33 SER OG : rot 78:sc= 1.19 USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.29) USER MOD Single : F 41 SER OG : rot -72:sc= 1.07 USER MOD Single : F 43 ASN : amide:sc=-0.00333 X(o=-0.0033,f=0) USER MOD Single : F 49 LYS NZ :NH3+ 176:sc= 1.11 (180deg=1.09) USER MOD Single : F 50 LYS NZ :NH3+ 161:sc= 0.455 (180deg=0.137) USER MOD Single : F 52 ASN : amide:sc= 1.14 K(o=1.1,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.058 -7.451 -3.546 1.00 0.00 N ATOM 24 CA LEU C 17 122.295 -6.198 -3.546 1.00 0.00 C ATOM 25 C LEU C 17 121.371 -6.144 -2.335 1.00 0.00 C ATOM 26 O LEU C 17 120.601 -7.078 -2.090 1.00 0.00 O ATOM 27 CB LEU C 17 121.458 -6.067 -4.833 1.00 0.00 C ATOM 28 CG LEU C 17 122.239 -5.302 -5.920 1.00 0.00 C ATOM 29 CD1 LEU C 17 122.584 -3.887 -5.439 1.00 0.00 C ATOM 30 CD2 LEU C 17 123.527 -6.066 -6.279 1.00 0.00 C ATOM 0 HA LEU C 17 123.004 -5.371 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.191 -7.058 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU C 17 120.526 -5.546 -4.614 1.00 0.00 H new ATOM 0 HG LEU C 17 121.612 -5.223 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU C 17 123.135 -3.362 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU C 17 121.665 -3.345 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.197 -3.948 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU C 17 124.073 -5.519 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU C 17 124.151 -6.164 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU C 17 123.270 -7.057 -6.653 1.00 0.00 H new ATOM 42 N VAL C 18 121.454 -5.040 -1.590 1.00 0.00 N ATOM 43 CA VAL C 18 120.628 -4.835 -0.398 1.00 0.00 C ATOM 44 C VAL C 18 119.918 -3.493 -0.493 1.00 0.00 C ATOM 45 O VAL C 18 120.540 -2.497 -0.839 1.00 0.00 O ATOM 46 CB VAL C 18 121.516 -4.864 0.858 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.678 -4.559 2.114 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.167 -6.248 0.993 1.00 0.00 C ATOM 0 H VAL C 18 122.090 -4.269 -1.793 1.00 0.00 H new ATOM 0 HA VAL C 18 119.886 -5.631 -0.332 1.00 0.00 H new ATOM 0 HB VAL C 18 122.291 -4.103 0.761 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.320 -4.583 2.994 1.00 0.00 H new ATOM 0 HG12 VAL C 18 120.228 -3.571 2.020 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.892 -5.307 2.218 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.796 -6.269 1.883 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.391 -7.008 1.080 1.00 0.00 H new ATOM 0 HG23 VAL C 18 122.777 -6.451 0.113 1.00 0.00 H new ATOM 58 N PHE C 19 118.623 -3.474 -0.167 1.00 0.00 N ATOM 59 CA PHE C 19 117.841 -2.245 -0.203 1.00 0.00 C ATOM 60 C PHE C 19 117.646 -1.720 1.207 1.00 0.00 C ATOM 61 O PHE C 19 117.221 -2.455 2.102 1.00 0.00 O ATOM 62 CB PHE C 19 116.469 -2.491 -0.855 1.00 0.00 C ATOM 63 CG PHE C 19 116.458 -1.887 -2.242 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.311 -2.403 -3.225 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.611 -0.805 -2.542 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.320 -1.847 -4.504 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.628 -0.252 -3.827 1.00 0.00 C ATOM 68 CZ PHE C 19 116.482 -0.773 -4.806 1.00 0.00 C ATOM 0 H PHE C 19 118.098 -4.298 0.124 1.00 0.00 H new ATOM 0 HA PHE C 19 118.383 -1.509 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.267 -3.561 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.680 -2.048 -0.247 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.963 -3.232 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE C 19 114.952 -0.404 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE C 19 117.977 -2.248 -5.262 1.00 0.00 H new ATOM 0 HE2 PHE C 19 114.980 0.579 -4.064 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.492 -0.343 -5.797 1.00 0.00 H new ATOM 78 N PHE C 20 117.960 -0.445 1.386 1.00 0.00 N ATOM 79 CA PHE C 20 117.822 0.203 2.691 1.00 0.00 C ATOM 80 C PHE C 20 117.276 1.623 2.552 1.00 0.00 C ATOM 81 O PHE C 20 117.452 2.267 1.515 1.00 0.00 O ATOM 82 CB PHE C 20 119.177 0.232 3.408 1.00 0.00 C ATOM 83 CG PHE C 20 120.156 1.083 2.646 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.143 2.473 2.803 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.074 0.483 1.784 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.046 3.261 2.096 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.977 1.270 1.079 1.00 0.00 C ATOM 88 CZ PHE C 20 121.966 2.662 1.231 1.00 0.00 C ATOM 0 H PHE C 20 118.312 0.164 0.648 1.00 0.00 H new ATOM 0 HA PHE C 20 117.111 -0.376 3.281 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.053 0.624 4.417 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.566 -0.782 3.506 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.432 2.934 3.473 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.083 -0.590 1.665 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.036 4.334 2.216 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.689 0.807 0.412 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.667 3.272 0.681 1.00 0.00 H new ATOM 98 N ALA C 21 116.634 2.110 3.619 1.00 0.00 N ATOM 99 CA ALA C 21 116.082 3.458 3.633 1.00 0.00 C ATOM 100 C ALA C 21 116.721 4.260 4.763 1.00 0.00 C ATOM 101 O ALA C 21 116.797 3.776 5.894 1.00 0.00 O ATOM 102 CB ALA C 21 114.571 3.385 3.832 1.00 0.00 C ATOM 0 H ALA C 21 116.487 1.586 4.482 1.00 0.00 H new ATOM 0 HA ALA C 21 116.294 3.951 2.684 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.156 4.393 3.843 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.124 2.817 3.016 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.352 2.893 4.779 1.00 0.00 H new ATOM 108 N GLU C 22 117.173 5.482 4.453 1.00 0.00 N ATOM 109 CA GLU C 22 117.802 6.342 5.470 1.00 0.00 C ATOM 110 C GLU C 22 116.869 7.483 5.855 1.00 0.00 C ATOM 111 O GLU C 22 116.273 8.111 4.988 1.00 0.00 O ATOM 112 CB GLU C 22 119.140 6.923 4.970 1.00 0.00 C ATOM 113 CG GLU C 22 119.051 7.354 3.502 1.00 0.00 C ATOM 114 CD GLU C 22 120.244 8.252 3.149 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.371 7.784 3.248 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.016 9.394 2.784 1.00 0.00 O ATOM 0 H GLU C 22 117.118 5.895 3.522 1.00 0.00 H new ATOM 0 HA GLU C 22 117.999 5.721 6.344 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.419 7.778 5.585 1.00 0.00 H new ATOM 0 HB3 GLU C 22 119.927 6.178 5.084 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.042 6.476 2.856 1.00 0.00 H new ATOM 0 HG3 GLU C 22 118.118 7.889 3.327 1.00 0.00 H new ATOM 123 N ASP C 23 116.770 7.749 7.162 1.00 0.00 N ATOM 124 CA ASP C 23 115.924 8.827 7.669 1.00 0.00 C ATOM 125 C ASP C 23 116.630 10.159 7.445 1.00 0.00 C ATOM 126 O ASP C 23 117.707 10.402 7.994 1.00 0.00 O ATOM 127 CB ASP C 23 115.643 8.621 9.164 1.00 0.00 C ATOM 128 CG ASP C 23 114.674 9.691 9.671 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.478 9.505 9.509 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.142 10.682 10.210 1.00 0.00 O ATOM 0 H ASP C 23 117.267 7.230 7.886 1.00 0.00 H new ATOM 0 HA ASP C 23 114.972 8.825 7.137 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.221 7.630 9.329 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.575 8.668 9.727 1.00 0.00 H new ATOM 135 N VAL C 24 116.034 10.992 6.596 1.00 0.00 N ATOM 136 CA VAL C 24 116.622 12.294 6.246 1.00 0.00 C ATOM 137 C VAL C 24 115.670 13.455 6.533 1.00 0.00 C ATOM 138 O VAL C 24 116.085 14.619 6.492 1.00 0.00 O ATOM 139 CB VAL C 24 117.001 12.272 4.752 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.886 11.045 4.498 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.726 12.206 3.878 1.00 0.00 C ATOM 0 H VAL C 24 115.146 10.795 6.135 1.00 0.00 H new ATOM 0 HA VAL C 24 117.505 12.453 6.864 1.00 0.00 H new ATOM 0 HB VAL C 24 117.542 13.181 4.490 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.166 11.010 3.445 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.785 11.112 5.111 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.337 10.140 4.757 1.00 0.00 H new ATOM 0 HG21 VAL C 24 116.007 12.191 2.825 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.167 11.301 4.117 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.104 13.079 4.075 1.00 0.00 H new ATOM 183 N LYS C 28 111.298 14.864 2.865 1.00 0.00 N ATOM 184 CA LYS C 28 111.598 13.751 1.967 1.00 0.00 C ATOM 185 C LYS C 28 111.416 12.419 2.691 1.00 0.00 C ATOM 186 O LYS C 28 111.524 11.353 2.080 1.00 0.00 O ATOM 187 CB LYS C 28 113.047 13.856 1.480 1.00 0.00 C ATOM 188 CG LYS C 28 113.238 15.131 0.647 1.00 0.00 C ATOM 189 CD LYS C 28 114.526 15.028 -0.184 1.00 0.00 C ATOM 190 CE LYS C 28 115.754 15.024 0.736 1.00 0.00 C ATOM 191 NZ LYS C 28 116.992 15.104 -0.092 1.00 0.00 N ATOM 0 HA LYS C 28 110.915 13.797 1.119 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.725 13.866 2.334 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.301 12.981 0.882 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.382 15.277 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.287 16.000 1.303 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.509 14.117 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.586 15.865 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.709 15.867 1.425 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.766 14.118 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.826 15.101 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 117.035 14.286 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 116.980 15.981 -0.651 1.00 0.00 H new ATOM 205 N GLY C 29 111.162 12.488 4.003 1.00 0.00 N ATOM 206 CA GLY C 29 110.997 11.283 4.808 1.00 0.00 C ATOM 207 C GLY C 29 112.312 10.518 4.841 1.00 0.00 C ATOM 208 O GLY C 29 113.210 10.847 5.625 1.00 0.00 O ATOM 0 H GLY C 29 111.068 13.361 4.522 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.691 11.547 5.820 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.209 10.657 4.390 1.00 0.00 H new ATOM 212 N ALA C 30 112.426 9.513 3.968 1.00 0.00 N ATOM 213 CA ALA C 30 113.643 8.712 3.865 1.00 0.00 C ATOM 214 C ALA C 30 114.061 8.569 2.401 1.00 0.00 C ATOM 215 O ALA C 30 113.262 8.821 1.493 1.00 0.00 O ATOM 216 CB ALA C 30 113.429 7.333 4.488 1.00 0.00 C ATOM 0 H ALA C 30 111.687 9.236 3.322 1.00 0.00 H new ATOM 0 HA ALA C 30 114.439 9.221 4.410 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.345 6.749 4.403 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.167 7.446 5.540 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.622 6.819 3.966 1.00 0.00 H new ATOM 222 N ILE C 31 115.322 8.172 2.181 1.00 0.00 N ATOM 223 CA ILE C 31 115.855 8.007 0.825 1.00 0.00 C ATOM 224 C ILE C 31 116.122 6.540 0.536 1.00 0.00 C ATOM 225 O ILE C 31 116.763 5.856 1.338 1.00 0.00 O ATOM 226 CB ILE C 31 117.188 8.761 0.651 1.00 0.00 C ATOM 227 CG1 ILE C 31 117.109 10.160 1.278 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.493 8.896 -0.840 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.304 11.023 0.823 1.00 0.00 C ATOM 0 H ILE C 31 115.989 7.960 2.923 1.00 0.00 H new ATOM 0 HA ILE C 31 115.108 8.408 0.140 1.00 0.00 H new ATOM 0 HB ILE C 31 117.977 8.199 1.151 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.174 10.642 0.991 1.00 0.00 H new ATOM 0 HG13 ILE C 31 117.104 10.078 2.365 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.435 9.429 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.571 7.905 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.691 9.451 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE C 31 118.233 12.012 1.277 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.235 10.548 1.133 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.290 11.120 -0.263 1.00 0.00 H new ATOM 241 N ILE C 32 115.672 6.077 -0.629 1.00 0.00 N ATOM 242 CA ILE C 32 115.916 4.701 -1.028 1.00 0.00 C ATOM 243 C ILE C 32 117.320 4.601 -1.605 1.00 0.00 C ATOM 244 O ILE C 32 117.626 5.192 -2.645 1.00 0.00 O ATOM 245 CB ILE C 32 114.865 4.215 -2.059 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.662 3.608 -1.322 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.464 3.158 -3.008 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.089 2.358 -0.528 1.00 0.00 C ATOM 0 H ILE C 32 115.143 6.630 -1.303 1.00 0.00 H new ATOM 0 HA ILE C 32 115.828 4.056 -0.154 1.00 0.00 H new ATOM 0 HB ILE C 32 114.548 5.074 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.232 4.347 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.885 3.343 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.704 2.836 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.307 3.590 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.805 2.300 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.224 1.941 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.497 1.614 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.849 2.633 0.203 1.00 0.00 H new ATOM 260 N GLY C 33 118.145 3.826 -0.922 1.00 0.00 N ATOM 261 CA GLY C 33 119.515 3.592 -1.339 1.00 0.00 C ATOM 262 C GLY C 33 119.827 2.125 -1.157 1.00 0.00 C ATOM 263 O GLY C 33 119.302 1.489 -0.240 1.00 0.00 O ATOM 0 H GLY C 33 117.883 3.342 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.648 3.881 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.200 4.201 -0.749 1.00 0.00 H new ATOM 267 N LEU C 34 120.659 1.583 -2.033 1.00 0.00 N ATOM 268 CA LEU C 34 121.013 0.170 -1.949 1.00 0.00 C ATOM 269 C LEU C 34 122.510 -0.027 -1.857 1.00 0.00 C ATOM 270 O LEU C 34 123.297 0.817 -2.286 1.00 0.00 O ATOM 271 CB LEU C 34 120.468 -0.614 -3.142 1.00 0.00 C ATOM 272 CG LEU C 34 120.709 0.159 -4.443 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.173 -0.825 -5.526 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.410 0.873 -4.862 1.00 0.00 C ATOM 0 H LEU C 34 121.098 2.090 -2.802 1.00 0.00 H new ATOM 0 HA LEU C 34 120.555 -0.212 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.951 -1.589 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.401 -0.794 -3.011 1.00 0.00 H new ATOM 0 HG LEU C 34 121.482 0.914 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.348 -0.286 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.097 -1.308 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.404 -1.581 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.580 1.423 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.623 0.135 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.107 1.567 -4.078 1.00 0.00 H new ATOM 286 N MET C 35 122.875 -1.166 -1.286 1.00 0.00 N ATOM 287 CA MET C 35 124.281 -1.535 -1.106 1.00 0.00 C ATOM 288 C MET C 35 124.678 -2.598 -2.119 1.00 0.00 C ATOM 289 O MET C 35 123.926 -3.543 -2.361 1.00 0.00 O ATOM 290 CB MET C 35 124.525 -2.034 0.333 1.00 0.00 C ATOM 291 CG MET C 35 125.300 -0.961 1.102 1.00 0.00 C ATOM 292 SD MET C 35 125.672 -1.497 2.792 1.00 0.00 S ATOM 293 CE MET C 35 126.625 -2.956 2.358 1.00 0.00 C ATOM 0 H MET C 35 122.214 -1.859 -0.935 1.00 0.00 H new ATOM 0 HA MET C 35 124.900 -0.653 -1.271 1.00 0.00 H new ATOM 0 HB2 MET C 35 123.576 -2.241 0.827 1.00 0.00 H new ATOM 0 HB3 MET C 35 125.087 -2.968 0.319 1.00 0.00 H new ATOM 0 HG2 MET C 35 126.229 -0.735 0.578 1.00 0.00 H new ATOM 0 HG3 MET C 35 124.718 -0.040 1.131 1.00 0.00 H new ATOM 0 HE1 MET C 35 127.396 -3.124 3.110 1.00 0.00 H new ATOM 0 HE2 MET C 35 125.965 -3.822 2.315 1.00 0.00 H new ATOM 0 HE3 MET C 35 127.094 -2.808 1.385 1.00 0.00 H new ATOM 303 N VAL C 36 125.860 -2.415 -2.718 1.00 0.00 N ATOM 304 CA VAL C 36 126.360 -3.340 -3.745 1.00 0.00 C ATOM 305 C VAL C 36 127.627 -4.063 -3.276 1.00 0.00 C ATOM 306 O VAL C 36 128.627 -3.421 -2.943 1.00 0.00 O ATOM 307 CB VAL C 36 126.688 -2.560 -5.039 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.792 -3.535 -6.220 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.601 -1.511 -5.344 1.00 0.00 C ATOM 0 H VAL C 36 126.487 -1.638 -2.511 1.00 0.00 H new ATOM 0 HA VAL C 36 125.580 -4.078 -3.932 1.00 0.00 H new ATOM 0 HB VAL C 36 127.638 -2.047 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.023 -2.981 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.583 -4.259 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL C 36 125.844 -4.058 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.857 -0.977 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.640 -2.009 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.536 -0.803 -4.517 1.00 0.00 H new ATOM 319 N GLY C 37 127.576 -5.405 -3.288 1.00 0.00 N ATOM 320 CA GLY C 37 128.719 -6.242 -2.898 1.00 0.00 C ATOM 321 C GLY C 37 129.341 -5.793 -1.580 1.00 0.00 C ATOM 322 O GLY C 37 130.412 -5.181 -1.570 1.00 0.00 O ATOM 0 H GLY C 37 126.750 -5.935 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.394 -7.279 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.474 -6.211 -3.683 1.00 0.00 H new ATOM 367 N GLY E 14 132.215 -2.282 -0.291 1.00 0.00 N ATOM 368 CA GLY E 14 131.134 -2.298 -1.280 1.00 0.00 C ATOM 369 C GLY E 14 130.770 -0.895 -1.755 1.00 0.00 C ATOM 370 O GLY E 14 131.092 0.103 -1.102 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.435 -2.903 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.254 -2.773 -0.847 1.00 0.00 H new ATOM 374 N GLU E 15 130.070 -0.846 -2.890 1.00 0.00 N ATOM 375 CA GLU E 15 129.612 0.410 -3.479 1.00 0.00 C ATOM 376 C GLU E 15 128.159 0.638 -3.077 1.00 0.00 C ATOM 377 O GLU E 15 127.326 -0.251 -3.250 1.00 0.00 O ATOM 378 CB GLU E 15 129.743 0.331 -5.014 1.00 0.00 C ATOM 379 CG GLU E 15 129.280 1.643 -5.672 1.00 0.00 C ATOM 380 CD GLU E 15 129.399 1.540 -7.195 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.518 1.452 -7.677 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.372 1.550 -7.859 1.00 0.00 O ATOM 0 H GLU E 15 129.806 -1.674 -3.424 1.00 0.00 H new ATOM 0 HA GLU E 15 130.218 1.242 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.779 0.129 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.147 -0.500 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.247 1.853 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.884 2.474 -5.308 1.00 0.00 H new ATOM 389 N ILE E 16 127.864 1.823 -2.538 1.00 0.00 N ATOM 390 CA ILE E 16 126.501 2.140 -2.107 1.00 0.00 C ATOM 391 C ILE E 16 125.856 3.116 -3.094 1.00 0.00 C ATOM 392 O ILE E 16 126.419 4.165 -3.414 1.00 0.00 O ATOM 393 CB ILE E 16 126.512 2.713 -0.677 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.404 1.813 0.228 1.00 0.00 C ATOM 395 CG2 ILE E 16 125.070 2.740 -0.145 1.00 0.00 C ATOM 396 CD1 ILE E 16 127.025 1.945 1.713 1.00 0.00 C ATOM 0 H ILE E 16 128.542 2.571 -2.391 1.00 0.00 H new ATOM 0 HA ILE E 16 125.906 1.227 -2.094 1.00 0.00 H new ATOM 0 HB ILE E 16 126.916 3.725 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.304 0.773 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.451 2.086 0.094 1.00 0.00 H new ATOM 0 HG21 ILE E 16 125.063 3.144 0.867 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.456 3.368 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.667 1.727 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.670 1.302 2.312 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.150 2.980 2.030 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.986 1.647 1.851 1.00 0.00 H new ATOM 408 N VAL E 17 124.682 2.716 -3.595 1.00 0.00 N ATOM 409 CA VAL E 17 123.927 3.488 -4.590 1.00 0.00 C ATOM 410 C VAL E 17 122.675 4.140 -4.004 1.00 0.00 C ATOM 411 O VAL E 17 122.006 3.571 -3.144 1.00 0.00 O ATOM 412 CB VAL E 17 123.522 2.541 -5.738 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.498 3.214 -6.676 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.780 2.155 -6.531 1.00 0.00 C ATOM 0 H VAL E 17 124.227 1.845 -3.321 1.00 0.00 H new ATOM 0 HA VAL E 17 124.568 4.294 -4.948 1.00 0.00 H new ATOM 0 HB VAL E 17 123.056 1.651 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.230 2.524 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.605 3.478 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.935 4.115 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.505 1.485 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.242 3.053 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.486 1.652 -5.870 1.00 0.00 H new ATOM 424 N TYR E 18 122.356 5.328 -4.530 1.00 0.00 N ATOM 425 CA TYR E 18 121.163 6.077 -4.132 1.00 0.00 C ATOM 426 C TYR E 18 120.373 6.469 -5.381 1.00 0.00 C ATOM 427 O TYR E 18 120.915 7.112 -6.283 1.00 0.00 O ATOM 428 CB TYR E 18 121.556 7.330 -3.336 1.00 0.00 C ATOM 429 CG TYR E 18 121.926 6.931 -1.936 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.224 6.502 -1.648 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.963 6.989 -0.925 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.560 6.135 -0.346 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.297 6.621 0.373 1.00 0.00 C ATOM 434 CZ TYR E 18 122.597 6.192 0.669 1.00 0.00 C ATOM 435 OH TYR E 18 122.930 5.834 1.959 1.00 0.00 O ATOM 0 H TYR E 18 122.918 5.795 -5.242 1.00 0.00 H new ATOM 0 HA TYR E 18 120.542 5.449 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.395 7.833 -3.817 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.728 8.038 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.965 6.455 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR E 18 119.960 7.319 -1.152 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.564 5.806 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.553 6.666 1.155 1.00 0.00 H new ATOM 0 HH TYR E 18 122.468 6.423 2.592 1.00 0.00 H new ATOM 445 N LEU E 19 119.091 6.080 -5.418 1.00 0.00 N ATOM 446 CA LEU E 19 118.213 6.395 -6.555 1.00 0.00 C ATOM 447 C LEU E 19 117.003 7.209 -6.052 1.00 0.00 C ATOM 448 O LEU E 19 115.855 6.760 -6.138 1.00 0.00 O ATOM 449 CB LEU E 19 117.735 5.093 -7.249 1.00 0.00 C ATOM 450 CG LEU E 19 118.937 4.216 -7.680 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.484 2.765 -7.911 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.575 4.761 -8.970 1.00 0.00 C ATOM 0 H LEU E 19 118.639 5.547 -4.675 1.00 0.00 H new ATOM 0 HA LEU E 19 118.768 6.984 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.095 4.530 -6.570 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.132 5.343 -8.122 1.00 0.00 H new ATOM 0 HG LEU E 19 119.676 4.242 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.339 2.161 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.064 2.364 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.727 2.741 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.417 4.130 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.835 4.761 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.926 5.779 -8.801 1.00 0.00 H new ATOM 464 N PRO E 20 117.247 8.396 -5.514 1.00 0.00 N ATOM 465 CA PRO E 20 116.167 9.284 -4.968 1.00 0.00 C ATOM 466 C PRO E 20 115.266 9.855 -6.058 1.00 0.00 C ATOM 467 O PRO E 20 114.111 10.200 -5.797 1.00 0.00 O ATOM 468 CB PRO E 20 116.940 10.411 -4.272 1.00 0.00 C ATOM 469 CG PRO E 20 118.257 10.463 -4.967 1.00 0.00 C ATOM 470 CD PRO E 20 118.577 9.026 -5.371 1.00 0.00 C ATOM 0 HA PRO E 20 115.497 8.736 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.412 11.361 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO E 20 117.063 10.207 -3.208 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.212 11.113 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.029 10.865 -4.311 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.140 8.988 -6.304 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.179 8.522 -4.615 1.00 0.00 H new ATOM 478 N ASN E 21 115.815 9.970 -7.269 1.00 0.00 N ATOM 479 CA ASN E 21 115.070 10.524 -8.396 1.00 0.00 C ATOM 480 C ASN E 21 114.319 9.443 -9.178 1.00 0.00 C ATOM 481 O ASN E 21 113.690 9.748 -10.196 1.00 0.00 O ATOM 482 CB ASN E 21 116.013 11.296 -9.327 1.00 0.00 C ATOM 483 CG ASN E 21 117.285 10.508 -9.602 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.246 9.295 -9.777 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.416 11.145 -9.640 1.00 0.00 N ATOM 0 H ASN E 21 116.769 9.687 -7.492 1.00 0.00 H new ATOM 0 HA ASN E 21 114.325 11.208 -7.990 1.00 0.00 H new ATOM 0 HB2 ASN E 21 115.505 11.510 -10.267 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.267 12.255 -8.877 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.282 10.636 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN E 21 118.438 12.154 -9.493 1.00 0.00 H new ATOM 492 N LEU E 22 114.354 8.191 -8.693 1.00 0.00 N ATOM 493 CA LEU E 22 113.638 7.109 -9.365 1.00 0.00 C ATOM 494 C LEU E 22 112.243 6.972 -8.770 1.00 0.00 C ATOM 495 O LEU E 22 112.085 6.893 -7.548 1.00 0.00 O ATOM 496 CB LEU E 22 114.410 5.788 -9.241 1.00 0.00 C ATOM 497 CG LEU E 22 115.223 5.550 -10.524 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.294 6.637 -10.679 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.881 4.161 -10.475 1.00 0.00 C ATOM 0 H LEU E 22 114.862 7.912 -7.854 1.00 0.00 H new ATOM 0 HA LEU E 22 113.551 7.348 -10.425 1.00 0.00 H new ATOM 0 HB2 LEU E 22 115.074 5.822 -8.377 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.717 4.963 -9.078 1.00 0.00 H new ATOM 0 HG LEU E 22 114.553 5.595 -11.383 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.864 6.459 -11.591 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.815 7.614 -10.736 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.965 6.611 -9.821 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.456 3.998 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.545 4.103 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.109 3.396 -10.391 1.00 0.00 H new ATOM 511 N ASN E 23 111.237 6.945 -9.645 1.00 0.00 N ATOM 512 CA ASN E 23 109.848 6.819 -9.201 1.00 0.00 C ATOM 513 C ASN E 23 109.627 5.436 -8.588 1.00 0.00 C ATOM 514 O ASN E 23 110.380 4.502 -8.886 1.00 0.00 O ATOM 515 CB ASN E 23 108.876 7.052 -10.376 1.00 0.00 C ATOM 516 CG ASN E 23 109.368 6.349 -11.639 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.982 7.036 -12.562 1.00 0.00 O flip ATOM 518 ND2 ASN E 23 109.186 5.145 -11.790 1.00 0.00 N flip ATOM 0 H ASN E 23 111.356 7.008 -10.656 1.00 0.00 H new ATOM 0 HA ASN E 23 109.650 7.579 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.885 6.682 -10.112 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.778 8.121 -10.565 1.00 0.00 H new ATOM 0 HD21 ASN E 23 108.706 4.607 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN E 23 109.515 4.682 -12.637 1.00 0.00 H new ATOM 525 N PRO E 24 108.625 5.276 -7.735 1.00 0.00 N ATOM 526 CA PRO E 24 108.341 3.961 -7.078 1.00 0.00 C ATOM 527 C PRO E 24 108.222 2.830 -8.098 1.00 0.00 C ATOM 528 O PRO E 24 108.622 1.699 -7.822 1.00 0.00 O ATOM 529 CB PRO E 24 107.009 4.187 -6.347 1.00 0.00 C ATOM 530 CG PRO E 24 106.903 5.664 -6.150 1.00 0.00 C ATOM 531 CD PRO E 24 107.667 6.317 -7.303 1.00 0.00 C ATOM 0 HA PRO E 24 109.145 3.658 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.171 3.809 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.992 3.662 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.860 5.980 -6.149 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.327 5.958 -5.190 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.997 6.604 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.181 7.222 -6.979 1.00 0.00 H new ATOM 539 N ASP E 25 107.693 3.153 -9.280 1.00 0.00 N ATOM 540 CA ASP E 25 107.551 2.159 -10.340 1.00 0.00 C ATOM 541 C ASP E 25 108.930 1.679 -10.796 1.00 0.00 C ATOM 542 O ASP E 25 109.159 0.475 -10.931 1.00 0.00 O ATOM 543 CB ASP E 25 106.782 2.754 -11.531 1.00 0.00 C ATOM 544 CG ASP E 25 105.367 3.158 -11.105 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.594 2.275 -10.768 1.00 0.00 O ATOM 546 OD2 ASP E 25 105.076 4.344 -11.125 1.00 0.00 O ATOM 0 H ASP E 25 107.360 4.086 -9.524 1.00 0.00 H new ATOM 0 HA ASP E 25 106.990 1.310 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.314 3.623 -11.918 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.731 2.025 -12.340 1.00 0.00 H new ATOM 551 N GLN E 26 109.851 2.625 -11.027 1.00 0.00 N ATOM 552 CA GLN E 26 111.193 2.282 -11.461 1.00 0.00 C ATOM 553 C GLN E 26 111.921 1.481 -10.382 1.00 0.00 C ATOM 554 O GLN E 26 112.558 0.469 -10.684 1.00 0.00 O ATOM 555 CB GLN E 26 111.972 3.555 -11.793 1.00 0.00 C ATOM 556 CG GLN E 26 113.280 3.182 -12.494 1.00 0.00 C ATOM 557 CD GLN E 26 113.000 2.582 -13.874 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.532 1.525 -14.213 1.00 0.00 O ATOM 559 NE2 GLN E 26 112.194 3.196 -14.698 1.00 0.00 N ATOM 0 H GLN E 26 109.683 3.625 -10.919 1.00 0.00 H new ATOM 0 HA GLN E 26 111.123 1.663 -12.356 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.375 4.203 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.182 4.114 -10.881 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.909 4.066 -12.597 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.833 2.466 -11.886 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.751 4.072 -14.421 1.00 0.00 H new ATOM 0 HE22 GLN E 26 112.007 2.799 -15.619 1.00 0.00 H new ATOM 568 N LEU E 27 111.816 1.932 -9.120 1.00 0.00 N ATOM 569 CA LEU E 27 112.469 1.230 -8.008 1.00 0.00 C ATOM 570 C LEU E 27 111.893 -0.182 -7.884 1.00 0.00 C ATOM 571 O LEU E 27 112.624 -1.133 -7.599 1.00 0.00 O ATOM 572 CB LEU E 27 112.288 1.994 -6.681 1.00 0.00 C ATOM 573 CG LEU E 27 112.937 3.393 -6.761 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.676 4.168 -5.461 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.459 3.275 -6.975 1.00 0.00 C ATOM 0 H LEU E 27 111.294 2.765 -8.850 1.00 0.00 H new ATOM 0 HA LEU E 27 113.537 1.172 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.226 2.093 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.736 1.426 -5.865 1.00 0.00 H new ATOM 0 HG LEU E 27 112.496 3.924 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.137 5.153 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.602 4.279 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.104 3.622 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.897 4.272 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.902 2.728 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.655 2.742 -7.905 1.00 0.00 H new ATOM 587 N CYS E 28 110.581 -0.305 -8.123 1.00 0.00 N ATOM 588 CA CYS E 28 109.904 -1.604 -8.064 1.00 0.00 C ATOM 589 C CYS E 28 110.398 -2.498 -9.203 1.00 0.00 C ATOM 590 O CYS E 28 110.695 -3.679 -8.996 1.00 0.00 O ATOM 591 CB CYS E 28 108.387 -1.409 -8.173 1.00 0.00 C ATOM 592 SG CYS E 28 107.537 -2.910 -7.627 1.00 0.00 S ATOM 0 H CYS E 28 109.970 0.477 -8.358 1.00 0.00 H new ATOM 0 HA CYS E 28 110.132 -2.082 -7.111 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.075 -0.561 -7.563 1.00 0.00 H new ATOM 0 HB3 CYS E 28 108.113 -1.179 -9.203 1.00 0.00 H new ATOM 597 N ALA E 29 110.484 -1.908 -10.401 1.00 0.00 N ATOM 598 CA ALA E 29 110.950 -2.624 -11.594 1.00 0.00 C ATOM 599 C ALA E 29 112.376 -3.122 -11.383 1.00 0.00 C ATOM 600 O ALA E 29 112.709 -4.271 -11.691 1.00 0.00 O ATOM 601 CB ALA E 29 110.928 -1.670 -12.800 1.00 0.00 C ATOM 0 H ALA E 29 110.236 -0.933 -10.570 1.00 0.00 H new ATOM 0 HA ALA E 29 110.294 -3.475 -11.776 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.274 -2.199 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.911 -1.313 -12.963 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.584 -0.821 -12.605 1.00 0.00 H new ATOM 607 N PHE E 30 113.200 -2.226 -10.852 1.00 0.00 N ATOM 608 CA PHE E 30 114.602 -2.508 -10.575 1.00 0.00 C ATOM 609 C PHE E 30 114.742 -3.567 -9.470 1.00 0.00 C ATOM 610 O PHE E 30 115.470 -4.550 -9.625 1.00 0.00 O ATOM 611 CB PHE E 30 115.266 -1.180 -10.159 1.00 0.00 C ATOM 612 CG PHE E 30 116.739 -1.367 -9.876 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.609 -1.740 -10.903 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.227 -1.171 -8.578 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.965 -1.914 -10.634 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.586 -1.346 -8.312 1.00 0.00 C ATOM 617 CZ PHE E 30 119.452 -1.718 -9.339 1.00 0.00 C ATOM 0 H PHE E 30 112.913 -1.280 -10.601 1.00 0.00 H new ATOM 0 HA PHE E 30 115.091 -2.914 -11.461 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.137 -0.443 -10.951 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.770 -0.785 -9.272 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.232 -1.893 -11.903 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.553 -0.885 -7.784 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.640 -2.201 -11.427 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.966 -1.194 -7.313 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.503 -1.855 -9.133 1.00 0.00 H new ATOM 627 N ILE E 31 114.057 -3.335 -8.358 1.00 0.00 N ATOM 628 CA ILE E 31 114.104 -4.237 -7.208 1.00 0.00 C ATOM 629 C ILE E 31 113.703 -5.660 -7.580 1.00 0.00 C ATOM 630 O ILE E 31 114.327 -6.615 -7.114 1.00 0.00 O ATOM 631 CB ILE E 31 113.214 -3.652 -6.098 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.018 -2.573 -5.380 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.782 -4.703 -5.071 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.099 -1.711 -4.515 1.00 0.00 C ATOM 0 H ILE E 31 113.456 -2.522 -8.225 1.00 0.00 H new ATOM 0 HA ILE E 31 115.129 -4.312 -6.846 1.00 0.00 H new ATOM 0 HB ILE E 31 112.309 -3.257 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.785 -3.035 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.533 -1.948 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.156 -4.234 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.217 -5.490 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.665 -5.134 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.688 -0.946 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.348 -1.234 -5.145 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.605 -2.338 -3.773 1.00 0.00 H new ATOM 646 N HIS E 32 112.693 -5.801 -8.433 1.00 0.00 N ATOM 647 CA HIS E 32 112.265 -7.130 -8.862 1.00 0.00 C ATOM 648 C HIS E 32 113.347 -7.749 -9.737 1.00 0.00 C ATOM 649 O HIS E 32 113.617 -8.947 -9.653 1.00 0.00 O ATOM 650 CB HIS E 32 110.936 -7.051 -9.630 1.00 0.00 C ATOM 651 CG HIS E 32 109.787 -7.057 -8.653 1.00 0.00 C ATOM 652 ND1 HIS E 32 109.152 -5.895 -8.245 1.00 0.00 N ATOM 653 CD2 HIS E 32 109.156 -8.082 -7.991 1.00 0.00 C ATOM 654 CE1 HIS E 32 108.184 -6.246 -7.376 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.144 -7.568 -7.186 1.00 0.00 N ATOM 0 H HIS E 32 112.163 -5.028 -8.835 1.00 0.00 H new ATOM 0 HA HIS E 32 112.109 -7.755 -7.983 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.907 -6.145 -10.235 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.849 -7.895 -10.315 1.00 0.00 H new ATOM 0 HD1 HIS E 32 109.376 -4.947 -8.547 1.00 0.00 H new ATOM 0 HD2 HIS E 32 109.407 -9.128 -8.082 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.521 -5.544 -6.892 1.00 0.00 H new ATOM 0 HE2 HIS E 32 107.509 -8.088 -6.581 1.00 0.00 H new ATOM 664 N SER E 33 113.960 -6.914 -10.574 1.00 0.00 N ATOM 665 CA SER E 33 115.016 -7.363 -11.477 1.00 0.00 C ATOM 666 C SER E 33 116.236 -7.889 -10.709 1.00 0.00 C ATOM 667 O SER E 33 116.754 -8.960 -11.037 1.00 0.00 O ATOM 668 CB SER E 33 115.418 -6.207 -12.394 1.00 0.00 C ATOM 669 OG SER E 33 114.338 -5.906 -13.270 1.00 0.00 O ATOM 0 H SER E 33 113.742 -5.920 -10.645 1.00 0.00 H new ATOM 0 HA SER E 33 114.632 -8.191 -12.073 1.00 0.00 H new ATOM 0 HB2 SER E 33 115.676 -5.330 -11.801 1.00 0.00 H new ATOM 0 HB3 SER E 33 116.304 -6.475 -12.969 1.00 0.00 H new ATOM 0 HG SER E 33 113.702 -5.315 -12.815 1.00 0.00 H new ATOM 675 N LEU E 34 116.682 -7.146 -9.682 1.00 0.00 N ATOM 676 CA LEU E 34 117.836 -7.576 -8.874 1.00 0.00 C ATOM 677 C LEU E 34 117.536 -8.911 -8.207 1.00 0.00 C ATOM 678 O LEU E 34 118.378 -9.813 -8.166 1.00 0.00 O ATOM 679 CB LEU E 34 118.135 -6.560 -7.758 1.00 0.00 C ATOM 680 CG LEU E 34 118.583 -5.208 -8.333 1.00 0.00 C ATOM 681 CD1 LEU E 34 118.839 -4.225 -7.175 1.00 0.00 C ATOM 682 CD2 LEU E 34 119.871 -5.391 -9.155 1.00 0.00 C ATOM 0 H LEU E 34 116.269 -6.259 -9.395 1.00 0.00 H new ATOM 0 HA LEU E 34 118.692 -7.658 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.245 -6.419 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU E 34 118.913 -6.954 -7.104 1.00 0.00 H new ATOM 0 HG LEU E 34 117.802 -4.812 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU E 34 119.157 -3.263 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU E 34 117.922 -4.092 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.619 -4.623 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU E 34 120.184 -4.429 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU E 34 120.658 -5.788 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU E 34 119.684 -6.086 -9.974 1.00 0.00 H new ATOM 694 N HIS E 35 116.328 -8.998 -7.663 1.00 0.00 N ATOM 695 CA HIS E 35 115.877 -10.185 -6.957 1.00 0.00 C ATOM 696 C HIS E 35 115.715 -11.384 -7.899 1.00 0.00 C ATOM 697 O HIS E 35 116.216 -12.474 -7.610 1.00 0.00 O ATOM 698 CB HIS E 35 114.554 -9.860 -6.241 1.00 0.00 C ATOM 699 CG HIS E 35 114.660 -10.270 -4.796 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.179 -9.419 -3.832 1.00 0.00 N ATOM 701 CD2 HIS E 35 114.347 -11.435 -4.141 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.164 -10.080 -2.659 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.666 -11.313 -2.791 1.00 0.00 N ATOM 0 H HIS E 35 115.637 -8.248 -7.700 1.00 0.00 H new ATOM 0 HA HIS E 35 116.632 -10.469 -6.224 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.339 -8.794 -6.314 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.728 -10.385 -6.721 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.919 -12.313 -4.602 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.512 -9.664 -1.725 1.00 0.00 H new ATOM 0 HE2 HIS E 35 114.545 -12.014 -2.060 1.00 0.00 H new ATOM 712 N ASP E 36 115.013 -11.184 -9.020 1.00 0.00 N ATOM 713 CA ASP E 36 114.796 -12.264 -9.989 1.00 0.00 C ATOM 714 C ASP E 36 116.122 -12.748 -10.586 1.00 0.00 C ATOM 715 O ASP E 36 116.316 -13.951 -10.778 1.00 0.00 O ATOM 716 CB ASP E 36 113.862 -11.790 -11.120 1.00 0.00 C ATOM 717 CG ASP E 36 112.443 -11.492 -10.599 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.001 -12.159 -9.673 1.00 0.00 O ATOM 719 OD2 ASP E 36 111.811 -10.601 -11.147 1.00 0.00 O ATOM 0 H ASP E 36 114.589 -10.293 -9.277 1.00 0.00 H new ATOM 0 HA ASP E 36 114.331 -13.096 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.276 -10.894 -11.582 1.00 0.00 H new ATOM 0 HB3 ASP E 36 113.812 -12.554 -11.895 1.00 0.00 H new ATOM 724 N ASP E 37 117.023 -11.800 -10.885 1.00 0.00 N ATOM 725 CA ASP E 37 118.331 -12.127 -11.473 1.00 0.00 C ATOM 726 C ASP E 37 119.462 -11.414 -10.710 1.00 0.00 C ATOM 727 O ASP E 37 119.941 -10.358 -11.140 1.00 0.00 O ATOM 728 CB ASP E 37 118.349 -11.715 -12.957 1.00 0.00 C ATOM 729 CG ASP E 37 117.362 -12.570 -13.755 1.00 0.00 C ATOM 730 OD1 ASP E 37 117.735 -13.668 -14.140 1.00 0.00 O ATOM 731 OD2 ASP E 37 116.248 -12.119 -13.966 1.00 0.00 O ATOM 0 H ASP E 37 116.871 -10.803 -10.730 1.00 0.00 H new ATOM 0 HA ASP E 37 118.492 -13.202 -11.396 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.088 -10.661 -13.052 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.354 -11.833 -13.362 1.00 0.00 H new ATOM 736 N PRO E 38 119.896 -11.963 -9.586 1.00 0.00 N ATOM 737 CA PRO E 38 120.990 -11.355 -8.763 1.00 0.00 C ATOM 738 C PRO E 38 122.359 -11.489 -9.432 1.00 0.00 C ATOM 739 O PRO E 38 123.252 -10.673 -9.201 1.00 0.00 O ATOM 740 CB PRO E 38 120.931 -12.129 -7.445 1.00 0.00 C ATOM 741 CG PRO E 38 120.343 -13.455 -7.797 1.00 0.00 C ATOM 742 CD PRO E 38 119.403 -13.218 -8.982 1.00 0.00 C ATOM 0 HA PRO E 38 120.855 -10.282 -8.629 1.00 0.00 H new ATOM 0 HB2 PRO E 38 121.924 -12.241 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.317 -11.609 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.125 -14.168 -8.060 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.800 -13.875 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.440 -14.044 -9.692 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.367 -13.124 -8.657 1.00 0.00 H new ATOM 750 N SER E 39 122.511 -12.520 -10.266 1.00 0.00 N ATOM 751 CA SER E 39 123.771 -12.744 -10.979 1.00 0.00 C ATOM 752 C SER E 39 124.067 -11.566 -11.911 1.00 0.00 C ATOM 753 O SER E 39 125.221 -11.159 -12.070 1.00 0.00 O ATOM 754 CB SER E 39 123.682 -14.040 -11.791 1.00 0.00 C ATOM 755 OG SER E 39 122.554 -13.980 -12.655 1.00 0.00 O ATOM 0 H SER E 39 121.784 -13.208 -10.463 1.00 0.00 H new ATOM 0 HA SER E 39 124.579 -12.829 -10.252 1.00 0.00 H new ATOM 0 HB2 SER E 39 124.593 -14.181 -12.373 1.00 0.00 H new ATOM 0 HB3 SER E 39 123.596 -14.896 -11.122 1.00 0.00 H new ATOM 0 HG SER E 39 122.497 -14.808 -13.176 1.00 0.00 H new ATOM 761 N GLN E 40 123.002 -11.028 -12.510 1.00 0.00 N ATOM 762 CA GLN E 40 123.097 -9.887 -13.425 1.00 0.00 C ATOM 763 C GLN E 40 122.897 -8.559 -12.675 1.00 0.00 C ATOM 764 O GLN E 40 122.769 -7.505 -13.303 1.00 0.00 O ATOM 765 CB GLN E 40 122.010 -10.028 -14.507 1.00 0.00 C ATOM 766 CG GLN E 40 122.488 -10.944 -15.638 1.00 0.00 C ATOM 767 CD GLN E 40 122.462 -12.403 -15.193 1.00 0.00 C ATOM 768 OE1 GLN E 40 123.512 -13.020 -15.018 1.00 0.00 O ATOM 769 NE2 GLN E 40 121.317 -12.996 -15.004 1.00 0.00 N ATOM 0 H GLN E 40 122.051 -11.370 -12.375 1.00 0.00 H new ATOM 0 HA GLN E 40 124.089 -9.880 -13.876 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.100 -10.433 -14.065 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.760 -9.046 -14.909 1.00 0.00 H new ATOM 0 HG2 GLN E 40 121.851 -10.813 -16.513 1.00 0.00 H new ATOM 0 HG3 GLN E 40 123.499 -10.667 -15.935 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.447 -12.484 -15.149 1.00 0.00 H new ATOM 0 HE22 GLN E 40 121.291 -13.973 -14.711 1.00 0.00 H new ATOM 778 N SER E 41 122.846 -8.620 -11.337 1.00 0.00 N ATOM 779 CA SER E 41 122.621 -7.423 -10.511 1.00 0.00 C ATOM 780 C SER E 41 123.580 -6.279 -10.850 1.00 0.00 C ATOM 781 O SER E 41 123.173 -5.117 -10.843 1.00 0.00 O ATOM 782 CB SER E 41 122.761 -7.776 -9.031 1.00 0.00 C ATOM 783 OG SER E 41 124.102 -8.163 -8.754 1.00 0.00 O ATOM 0 H SER E 41 122.957 -9.482 -10.804 1.00 0.00 H new ATOM 0 HA SER E 41 121.610 -7.078 -10.727 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.485 -6.920 -8.416 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.078 -8.586 -8.774 1.00 0.00 H new ATOM 0 HG SER E 41 124.184 -9.137 -8.829 1.00 0.00 H new ATOM 789 N ALA E 42 124.840 -6.605 -11.144 1.00 0.00 N ATOM 790 CA ALA E 42 125.825 -5.573 -11.476 1.00 0.00 C ATOM 791 C ALA E 42 125.442 -4.857 -12.773 1.00 0.00 C ATOM 792 O ALA E 42 125.445 -3.622 -12.830 1.00 0.00 O ATOM 793 CB ALA E 42 127.216 -6.196 -11.618 1.00 0.00 C ATOM 0 H ALA E 42 125.199 -7.560 -11.159 1.00 0.00 H new ATOM 0 HA ALA E 42 125.841 -4.843 -10.667 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.939 -5.419 -11.865 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.500 -6.671 -10.679 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.201 -6.943 -12.412 1.00 0.00 H new ATOM 799 N ASN E 43 125.101 -5.637 -13.802 1.00 0.00 N ATOM 800 CA ASN E 43 124.702 -5.066 -15.089 1.00 0.00 C ATOM 801 C ASN E 43 123.390 -4.304 -14.951 1.00 0.00 C ATOM 802 O ASN E 43 123.267 -3.175 -15.434 1.00 0.00 O ATOM 803 CB ASN E 43 124.536 -6.176 -16.134 1.00 0.00 C ATOM 804 CG ASN E 43 125.903 -6.659 -16.604 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.302 -7.788 -16.321 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.645 -5.861 -17.317 1.00 0.00 N ATOM 0 H ASN E 43 125.093 -6.656 -13.769 1.00 0.00 H new ATOM 0 HA ASN E 43 125.483 -4.378 -15.412 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.975 -7.007 -15.707 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.961 -5.805 -16.982 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.560 -6.171 -17.643 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.311 -4.926 -17.550 1.00 0.00 H new ATOM 813 N LEU E 44 122.416 -4.934 -14.281 1.00 0.00 N ATOM 814 CA LEU E 44 121.097 -4.330 -14.066 1.00 0.00 C ATOM 815 C LEU E 44 121.221 -2.984 -13.355 1.00 0.00 C ATOM 816 O LEU E 44 120.540 -2.021 -13.719 1.00 0.00 O ATOM 817 CB LEU E 44 120.222 -5.276 -13.229 1.00 0.00 C ATOM 818 CG LEU E 44 119.917 -6.560 -14.023 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.374 -7.637 -13.073 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.873 -6.265 -15.111 1.00 0.00 C ATOM 0 H LEU E 44 122.519 -5.865 -13.878 1.00 0.00 H new ATOM 0 HA LEU E 44 120.634 -4.165 -15.039 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.732 -5.527 -12.299 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.291 -4.778 -12.958 1.00 0.00 H new ATOM 0 HG LEU E 44 120.835 -6.916 -14.491 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.159 -8.545 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.117 -7.854 -12.306 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.460 -7.278 -12.601 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.662 -7.177 -15.669 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.956 -5.903 -14.647 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.260 -5.505 -15.790 1.00 0.00 H new ATOM 832 N LEU E 45 122.109 -2.920 -12.356 1.00 0.00 N ATOM 833 CA LEU E 45 122.329 -1.677 -11.617 1.00 0.00 C ATOM 834 C LEU E 45 122.798 -0.600 -12.577 1.00 0.00 C ATOM 835 O LEU E 45 122.306 0.525 -12.531 1.00 0.00 O ATOM 836 CB LEU E 45 123.384 -1.883 -10.513 1.00 0.00 C ATOM 837 CG LEU E 45 123.151 -0.939 -9.307 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.386 -0.993 -8.404 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.898 0.520 -9.759 1.00 0.00 C ATOM 0 H LEU E 45 122.680 -3.706 -12.045 1.00 0.00 H new ATOM 0 HA LEU E 45 121.393 -1.373 -11.149 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.357 -2.919 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.378 -1.708 -10.924 1.00 0.00 H new ATOM 0 HG LEU E 45 122.263 -1.272 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU E 45 124.240 -0.334 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.536 -2.014 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU E 45 125.262 -0.670 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.739 1.150 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.762 0.883 -10.316 1.00 0.00 H new ATOM 0 HD23 LEU E 45 122.015 0.555 -10.396 1.00 0.00 H new ATOM 851 N ALA E 46 123.728 -0.968 -13.470 1.00 0.00 N ATOM 852 CA ALA E 46 124.259 -0.024 -14.455 1.00 0.00 C ATOM 853 C ALA E 46 123.115 0.673 -15.186 1.00 0.00 C ATOM 854 O ALA E 46 123.200 1.858 -15.497 1.00 0.00 O ATOM 855 CB ALA E 46 125.144 -0.767 -15.467 1.00 0.00 C ATOM 0 H ALA E 46 124.124 -1.906 -13.528 1.00 0.00 H new ATOM 0 HA ALA E 46 124.857 0.725 -13.936 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.536 -0.059 -16.197 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.973 -1.245 -14.944 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.553 -1.526 -15.979 1.00 0.00 H new ATOM 861 N GLU E 47 122.041 -0.076 -15.424 1.00 0.00 N ATOM 862 CA GLU E 47 120.860 0.462 -16.096 1.00 0.00 C ATOM 863 C GLU E 47 120.126 1.427 -15.193 1.00 0.00 C ATOM 864 O GLU E 47 119.602 2.442 -15.650 1.00 0.00 O ATOM 865 CB GLU E 47 119.898 -0.666 -16.457 1.00 0.00 C ATOM 866 CG GLU E 47 120.689 -1.809 -17.064 1.00 0.00 C ATOM 867 CD GLU E 47 119.755 -2.800 -17.765 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.980 -3.444 -17.076 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.824 -2.896 -18.980 1.00 0.00 O ATOM 0 H GLU E 47 121.964 -1.059 -15.161 1.00 0.00 H new ATOM 0 HA GLU E 47 121.198 0.976 -16.996 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.365 -1.006 -15.569 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.147 -0.310 -17.163 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.414 -1.418 -17.778 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.253 -2.322 -16.285 1.00 0.00 H new ATOM 876 N ALA E 48 120.078 1.096 -13.904 1.00 0.00 N ATOM 877 CA ALA E 48 119.390 1.936 -12.960 1.00 0.00 C ATOM 878 C ALA E 48 120.181 3.213 -12.748 1.00 0.00 C ATOM 879 O ALA E 48 119.608 4.270 -12.491 1.00 0.00 O ATOM 880 CB ALA E 48 119.151 1.215 -11.637 1.00 0.00 C ATOM 0 H ALA E 48 120.505 0.260 -13.505 1.00 0.00 H new ATOM 0 HA ALA E 48 118.410 2.185 -13.368 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.629 1.880 -10.949 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.545 0.326 -11.811 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.108 0.923 -11.204 1.00 0.00 H new ATOM 886 N LYS E 49 121.512 3.123 -12.883 1.00 0.00 N ATOM 887 CA LYS E 49 122.359 4.307 -12.734 1.00 0.00 C ATOM 888 C LYS E 49 122.062 5.249 -13.893 1.00 0.00 C ATOM 889 O LYS E 49 121.940 6.463 -13.719 1.00 0.00 O ATOM 890 CB LYS E 49 123.844 3.939 -12.716 1.00 0.00 C ATOM 891 CG LYS E 49 124.067 2.773 -11.757 1.00 0.00 C ATOM 892 CD LYS E 49 125.433 2.879 -11.093 1.00 0.00 C ATOM 893 CE LYS E 49 125.907 1.493 -10.635 1.00 0.00 C ATOM 894 NZ LYS E 49 127.397 1.477 -10.532 1.00 0.00 N ATOM 0 H LYS E 49 122.014 2.260 -13.091 1.00 0.00 H new ATOM 0 HA LYS E 49 122.139 4.789 -11.782 1.00 0.00 H new ATOM 0 HB2 LYS E 49 124.175 3.668 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.439 4.798 -12.406 1.00 0.00 H new ATOM 0 HG2 LYS E 49 123.286 2.766 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.992 1.830 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS E 49 126.153 3.306 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.379 3.554 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS E 49 125.464 1.247 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.574 0.733 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.766 0.607 -10.967 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.788 2.304 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.676 1.509 -9.531 1.00 0.00 H new ATOM 908 N LYS E 50 121.877 4.646 -15.071 1.00 0.00 N ATOM 909 CA LYS E 50 121.501 5.408 -16.260 1.00 0.00 C ATOM 910 C LYS E 50 120.158 6.078 -15.973 1.00 0.00 C ATOM 911 O LYS E 50 119.939 7.229 -16.344 1.00 0.00 O ATOM 912 CB LYS E 50 121.373 4.496 -17.492 1.00 0.00 C ATOM 913 CG LYS E 50 122.754 3.983 -17.924 1.00 0.00 C ATOM 914 CD LYS E 50 122.605 3.094 -19.170 1.00 0.00 C ATOM 915 CE LYS E 50 123.887 2.282 -19.393 1.00 0.00 C ATOM 916 NZ LYS E 50 123.962 1.851 -20.819 1.00 0.00 N ATOM 0 H LYS E 50 121.981 3.643 -15.224 1.00 0.00 H new ATOM 0 HA LYS E 50 122.272 6.147 -16.479 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.721 3.654 -17.262 1.00 0.00 H new ATOM 0 HB3 LYS E 50 120.909 5.044 -18.312 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.414 4.823 -18.140 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.213 3.417 -17.113 1.00 0.00 H new ATOM 0 HD2 LYS E 50 121.756 2.422 -19.047 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.399 3.711 -20.044 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.760 2.883 -19.137 1.00 0.00 H new ATOM 0 HE3 LYS E 50 123.897 1.411 -18.738 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 124.831 1.300 -20.970 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 123.135 1.263 -21.048 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 123.972 2.689 -21.435 1.00 0.00 H new ATOM 930 N LEU E 51 119.287 5.344 -15.259 1.00 0.00 N ATOM 931 CA LEU E 51 117.976 5.863 -14.853 1.00 0.00 C ATOM 932 C LEU E 51 118.171 7.001 -13.852 1.00 0.00 C ATOM 933 O LEU E 51 117.460 8.006 -13.901 1.00 0.00 O ATOM 934 CB LEU E 51 117.136 4.752 -14.193 1.00 0.00 C ATOM 935 CG LEU E 51 116.089 4.150 -15.153 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.856 5.064 -15.238 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.672 3.922 -16.562 1.00 0.00 C ATOM 0 H LEU E 51 119.471 4.389 -14.952 1.00 0.00 H new ATOM 0 HA LEU E 51 117.453 6.225 -15.738 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.799 3.961 -13.842 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.630 5.157 -13.317 1.00 0.00 H new ATOM 0 HG LEU E 51 115.794 3.181 -14.751 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.125 4.627 -15.919 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.412 5.169 -14.248 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.155 6.045 -15.608 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.905 3.497 -17.209 1.00 0.00 H new ATOM 0 HD22 LEU E 51 117.009 4.873 -16.975 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.515 3.234 -16.500 1.00 0.00 H new ATOM 949 N ASN E 52 119.155 6.828 -12.949 1.00 0.00 N ATOM 950 CA ASN E 52 119.465 7.846 -11.941 1.00 0.00 C ATOM 951 C ASN E 52 119.752 9.161 -12.653 1.00 0.00 C ATOM 952 O ASN E 52 119.309 10.230 -12.225 1.00 0.00 O ATOM 953 CB ASN E 52 120.684 7.420 -11.091 1.00 0.00 C ATOM 954 CG ASN E 52 120.915 8.431 -9.971 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.969 8.658 -9.108 1.00 0.00 O flip ATOM 956 ND2 ASN E 52 121.984 9.036 -9.888 1.00 0.00 N flip ATOM 0 H ASN E 52 119.743 5.996 -12.901 1.00 0.00 H new ATOM 0 HA ASN E 52 118.615 7.964 -11.269 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.516 6.429 -10.669 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.571 7.352 -11.720 1.00 0.00 H new ATOM 0 HD21 ASN E 52 122.725 8.857 -10.565 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.128 9.716 -9.142 1.00 0.00 H new ATOM 963 N ASP E 53 120.469 9.045 -13.770 1.00 0.00 N ATOM 964 CA ASP E 53 120.802 10.194 -14.604 1.00 0.00 C ATOM 965 C ASP E 53 119.605 10.579 -15.494 1.00 0.00 C ATOM 966 O ASP E 53 119.398 11.756 -15.802 1.00 0.00 O ATOM 967 CB ASP E 53 122.014 9.861 -15.484 1.00 0.00 C ATOM 968 CG ASP E 53 122.456 11.100 -16.267 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.194 11.897 -15.710 1.00 0.00 O ATOM 970 OD2 ASP E 53 122.047 11.235 -17.410 1.00 0.00 O ATOM 0 H ASP E 53 120.832 8.158 -14.119 1.00 0.00 H new ATOM 0 HA ASP E 53 121.043 11.037 -13.957 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.835 9.502 -14.864 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.761 9.057 -16.175 1.00 0.00 H new ATOM 975 N ALA E 54 118.842 9.563 -15.917 1.00 0.00 N ATOM 976 CA ALA E 54 117.676 9.754 -16.792 1.00 0.00 C ATOM 977 C ALA E 54 116.553 10.525 -16.096 1.00 0.00 C ATOM 978 O ALA E 54 115.804 11.254 -16.751 1.00 0.00 O ATOM 979 CB ALA E 54 117.128 8.388 -17.244 1.00 0.00 C ATOM 0 H ALA E 54 119.013 8.590 -15.664 1.00 0.00 H new ATOM 0 HA ALA E 54 118.013 10.336 -17.650 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.264 8.539 -17.892 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.902 7.848 -17.790 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.829 7.809 -16.370 1.00 0.00 H new ATOM 985 N GLN E 55 116.429 10.338 -14.778 1.00 0.00 N ATOM 986 CA GLN E 55 115.374 11.001 -13.998 1.00 0.00 C ATOM 987 C GLN E 55 115.961 12.033 -13.042 1.00 0.00 C ATOM 988 O GLN E 55 115.235 12.661 -12.266 1.00 0.00 O ATOM 989 CB GLN E 55 114.565 9.953 -13.222 1.00 0.00 C ATOM 990 CG GLN E 55 113.959 8.948 -14.218 1.00 0.00 C ATOM 991 CD GLN E 55 112.900 8.058 -13.555 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.545 8.264 -12.315 1.00 0.00 O flip ATOM 993 NE2 GLN E 55 112.370 7.151 -14.196 1.00 0.00 N flip ATOM 0 H GLN E 55 117.042 9.736 -14.229 1.00 0.00 H new ATOM 0 HA GLN E 55 114.714 11.525 -14.689 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.206 9.435 -12.508 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.775 10.437 -12.648 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.510 9.488 -15.052 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.751 8.324 -14.632 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.642 6.985 -15.165 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.658 6.566 -13.759 1.00 0.00 H new ATOM 1002 N ALA E 56 117.280 12.186 -13.113 1.00 0.00 N ATOM 1003 CA ALA E 56 118.024 13.108 -12.278 1.00 0.00 C ATOM 1004 C ALA E 56 117.412 14.511 -12.278 1.00 0.00 C ATOM 1005 O ALA E 56 116.740 14.914 -13.232 1.00 0.00 O ATOM 1006 CB ALA E 56 119.471 13.166 -12.767 1.00 0.00 C ATOM 0 H ALA E 56 117.866 11.663 -13.764 1.00 0.00 H new ATOM 0 HA ALA E 56 117.986 12.743 -11.252 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.038 13.858 -12.144 1.00 0.00 H new ATOM 0 HB2 ALA E 56 119.916 12.173 -12.705 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.492 13.509 -13.802 1.00 0.00 H new ATOM 1013 N GLY F 14 120.399 10.411 9.579 1.00 0.00 N ATOM 1014 CA GLY F 14 119.425 9.844 10.516 1.00 0.00 C ATOM 1015 C GLY F 14 119.555 8.336 10.580 1.00 0.00 C ATOM 1016 O GLY F 14 120.541 7.772 10.101 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.578 10.269 11.508 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.415 10.114 10.206 1.00 0.00 H new ATOM 1020 N GLU F 15 118.558 7.689 11.177 1.00 0.00 N ATOM 1021 CA GLU F 15 118.572 6.242 11.297 1.00 0.00 C ATOM 1022 C GLU F 15 118.431 5.613 9.931 1.00 0.00 C ATOM 1023 O GLU F 15 117.664 6.094 9.094 1.00 0.00 O ATOM 1024 CB GLU F 15 117.415 5.754 12.162 1.00 0.00 C ATOM 1025 CG GLU F 15 117.647 4.281 12.530 1.00 0.00 C ATOM 1026 CD GLU F 15 116.481 3.691 13.348 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.675 4.450 13.870 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.424 2.475 13.452 1.00 0.00 O ATOM 0 H GLU F 15 117.739 8.143 11.581 1.00 0.00 H new ATOM 0 HA GLU F 15 119.518 5.957 11.758 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.340 6.360 13.065 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.473 5.863 11.625 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.780 3.698 11.619 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.570 4.193 13.102 1.00 0.00 H new ATOM 1035 N ILE F 16 119.152 4.523 9.728 1.00 0.00 N ATOM 1036 CA ILE F 16 119.093 3.797 8.475 1.00 0.00 C ATOM 1037 C ILE F 16 118.547 2.394 8.725 1.00 0.00 C ATOM 1038 O ILE F 16 118.854 1.768 9.744 1.00 0.00 O ATOM 1039 CB ILE F 16 120.476 3.724 7.838 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.031 5.150 7.601 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.368 2.964 6.503 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.360 5.100 6.821 1.00 0.00 C ATOM 0 H ILE F 16 119.786 4.122 10.419 1.00 0.00 H new ATOM 0 HA ILE F 16 118.429 4.322 7.788 1.00 0.00 H new ATOM 0 HB ILE F 16 121.160 3.198 8.504 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.302 5.741 7.047 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.185 5.649 8.558 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.352 2.905 6.037 1.00 0.00 H new ATOM 0 HG22 ILE F 16 119.993 1.957 6.687 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.683 3.491 5.839 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.730 6.114 6.667 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.094 4.528 7.389 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.197 4.623 5.855 1.00 0.00 H new ATOM 1054 N VAL F 17 117.721 1.932 7.794 1.00 0.00 N ATOM 1055 CA VAL F 17 117.086 0.620 7.887 1.00 0.00 C ATOM 1056 C VAL F 17 117.485 -0.256 6.701 1.00 0.00 C ATOM 1057 O VAL F 17 117.131 0.053 5.565 1.00 0.00 O ATOM 1058 CB VAL F 17 115.566 0.852 7.895 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.795 -0.437 7.557 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.142 1.362 9.282 1.00 0.00 C ATOM 0 H VAL F 17 117.472 2.454 6.954 1.00 0.00 H new ATOM 0 HA VAL F 17 117.403 0.104 8.793 1.00 0.00 H new ATOM 0 HB VAL F 17 115.327 1.592 7.131 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.724 -0.235 7.572 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.085 -0.785 6.565 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.030 -1.205 8.294 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.065 1.529 9.295 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.404 0.621 10.038 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.657 2.298 9.498 1.00 0.00 H new ATOM 1070 N TYR F 18 118.195 -1.360 6.979 1.00 0.00 N ATOM 1071 CA TYR F 18 118.615 -2.292 5.925 1.00 0.00 C ATOM 1072 C TYR F 18 117.614 -3.423 5.807 1.00 0.00 C ATOM 1073 O TYR F 18 117.162 -3.975 6.816 1.00 0.00 O ATOM 1074 CB TYR F 18 120.027 -2.841 6.214 1.00 0.00 C ATOM 1075 CG TYR F 18 121.036 -1.986 5.479 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.012 -0.598 5.651 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.959 -2.562 4.594 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.904 0.209 4.953 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.848 -1.750 3.894 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.821 -0.361 4.072 1.00 0.00 C ATOM 1081 OH TYR F 18 123.699 0.446 3.381 1.00 0.00 O ATOM 0 H TYR F 18 118.488 -1.627 7.919 1.00 0.00 H new ATOM 0 HA TYR F 18 118.651 -1.756 4.977 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.227 -2.826 7.285 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.103 -3.879 5.890 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.299 -0.152 6.328 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.980 -3.633 4.456 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.886 1.280 5.094 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.560 -2.192 3.213 1.00 0.00 H new ATOM 0 HH TYR F 18 124.586 0.030 3.369 1.00 0.00 H new ATOM 1091 N LEU F 19 117.234 -3.723 4.560 1.00 0.00 N ATOM 1092 CA LEU F 19 116.228 -4.759 4.293 1.00 0.00 C ATOM 1093 C LEU F 19 116.779 -5.858 3.361 1.00 0.00 C ATOM 1094 O LEU F 19 116.483 -5.871 2.161 1.00 0.00 O ATOM 1095 CB LEU F 19 114.979 -4.092 3.676 1.00 0.00 C ATOM 1096 CG LEU F 19 114.557 -2.851 4.508 1.00 0.00 C ATOM 1097 CD1 LEU F 19 114.149 -1.707 3.574 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.382 -3.211 5.429 1.00 0.00 C ATOM 0 H LEU F 19 117.604 -3.268 3.725 1.00 0.00 H new ATOM 0 HA LEU F 19 115.961 -5.244 5.232 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.189 -3.794 2.649 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.158 -4.808 3.639 1.00 0.00 H new ATOM 0 HG LEU F 19 115.403 -2.531 5.116 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.855 -0.841 4.167 1.00 0.00 H new ATOM 0 HD12 LEU F 19 114.991 -1.441 2.936 1.00 0.00 H new ATOM 0 HD13 LEU F 19 113.310 -2.025 2.954 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.093 -2.335 6.009 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.536 -3.543 4.827 1.00 0.00 H new ATOM 0 HD23 LEU F 19 113.682 -4.011 6.106 1.00 0.00 H new ATOM 1110 N PRO F 20 117.570 -6.780 3.891 1.00 0.00 N ATOM 1111 CA PRO F 20 118.165 -7.900 3.099 1.00 0.00 C ATOM 1112 C PRO F 20 117.253 -9.133 3.024 1.00 0.00 C ATOM 1113 O PRO F 20 117.093 -9.727 1.955 1.00 0.00 O ATOM 1114 CB PRO F 20 119.440 -8.216 3.881 1.00 0.00 C ATOM 1115 CG PRO F 20 119.095 -7.937 5.310 1.00 0.00 C ATOM 1116 CD PRO F 20 117.998 -6.860 5.305 1.00 0.00 C ATOM 0 HA PRO F 20 118.331 -7.626 2.057 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.741 -9.254 3.743 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.272 -7.596 3.547 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.745 -8.842 5.806 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.972 -7.592 5.858 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.168 -7.134 5.957 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.379 -5.902 5.660 1.00 0.00 H new ATOM 1124 N ASN F 21 116.677 -9.519 4.172 1.00 0.00 N ATOM 1125 CA ASN F 21 115.797 -10.698 4.244 1.00 0.00 C ATOM 1126 C ASN F 21 114.348 -10.361 3.860 1.00 0.00 C ATOM 1127 O ASN F 21 113.461 -11.216 3.958 1.00 0.00 O ATOM 1128 CB ASN F 21 115.834 -11.285 5.667 1.00 0.00 C ATOM 1129 CG ASN F 21 117.249 -11.751 6.030 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.989 -12.241 5.175 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.667 -11.633 7.261 1.00 0.00 N ATOM 0 H ASN F 21 116.803 -9.035 5.061 1.00 0.00 H new ATOM 0 HA ASN F 21 116.166 -11.431 3.526 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.499 -10.535 6.383 1.00 0.00 H new ATOM 0 HB3 ASN F 21 115.141 -12.124 5.737 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.604 -11.946 7.514 1.00 0.00 H new ATOM 0 HD22 ASN F 21 117.056 -11.228 7.970 1.00 0.00 H new ATOM 1138 N LEU F 22 114.117 -9.122 3.418 1.00 0.00 N ATOM 1139 CA LEU F 22 112.777 -8.680 3.015 1.00 0.00 C ATOM 1140 C LEU F 22 112.481 -9.129 1.581 1.00 0.00 C ATOM 1141 O LEU F 22 113.402 -9.276 0.772 1.00 0.00 O ATOM 1142 CB LEU F 22 112.698 -7.151 3.098 1.00 0.00 C ATOM 1143 CG LEU F 22 111.259 -6.686 3.412 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.151 -6.319 4.900 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.924 -5.461 2.542 1.00 0.00 C ATOM 0 H LEU F 22 114.839 -8.407 3.330 1.00 0.00 H new ATOM 0 HA LEU F 22 112.040 -9.124 3.685 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.377 -6.790 3.870 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.027 -6.715 2.155 1.00 0.00 H new ATOM 0 HG LEU F 22 110.555 -7.489 3.193 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.135 -5.991 5.121 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.391 -7.191 5.508 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.850 -5.514 5.128 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.909 -5.127 2.759 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.625 -4.656 2.762 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.000 -5.731 1.489 1.00 0.00 H new ATOM 1157 N ASN F 23 111.196 -9.331 1.267 1.00 0.00 N ATOM 1158 CA ASN F 23 110.800 -9.750 -0.080 1.00 0.00 C ATOM 1159 C ASN F 23 110.753 -8.530 -1.005 1.00 0.00 C ATOM 1160 O ASN F 23 110.489 -7.417 -0.541 1.00 0.00 O ATOM 1161 CB ASN F 23 109.421 -10.431 -0.046 1.00 0.00 C ATOM 1162 CG ASN F 23 109.362 -11.483 1.066 1.00 0.00 C ATOM 1163 OD1 ASN F 23 108.330 -11.640 1.719 1.00 0.00 O ATOM 1164 ND2 ASN F 23 110.410 -12.216 1.321 1.00 0.00 N ATOM 0 H ASN F 23 110.421 -9.212 1.920 1.00 0.00 H new ATOM 0 HA ASN F 23 111.533 -10.464 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.645 -9.683 0.113 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.218 -10.901 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN F 23 110.374 -12.918 2.060 1.00 0.00 H new ATOM 0 HD22 ASN F 23 111.266 -12.087 0.781 1.00 0.00 H new ATOM 1171 N PRO F 24 111.000 -8.695 -2.291 1.00 0.00 N ATOM 1172 CA PRO F 24 110.969 -7.547 -3.245 1.00 0.00 C ATOM 1173 C PRO F 24 109.572 -6.946 -3.315 1.00 0.00 C ATOM 1174 O PRO F 24 109.411 -5.736 -3.496 1.00 0.00 O ATOM 1175 CB PRO F 24 111.404 -8.153 -4.587 1.00 0.00 C ATOM 1176 CG PRO F 24 111.159 -9.622 -4.458 1.00 0.00 C ATOM 1177 CD PRO F 24 111.318 -9.963 -2.974 1.00 0.00 C ATOM 0 HA PRO F 24 111.623 -6.728 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.832 -7.730 -5.413 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.455 -7.946 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.160 -9.881 -4.810 1.00 0.00 H new ATOM 0 HG3 PRO F 24 111.867 -10.188 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.641 -10.762 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.330 -10.299 -2.746 1.00 0.00 H new ATOM 1185 N ASP F 25 108.565 -7.805 -3.124 1.00 0.00 N ATOM 1186 CA ASP F 25 107.168 -7.369 -3.111 1.00 0.00 C ATOM 1187 C ASP F 25 106.963 -6.431 -1.927 1.00 0.00 C ATOM 1188 O ASP F 25 106.312 -5.387 -2.037 1.00 0.00 O ATOM 1189 CB ASP F 25 106.249 -8.587 -2.956 1.00 0.00 C ATOM 1190 CG ASP F 25 106.401 -9.551 -4.146 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.471 -9.081 -5.276 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.443 -10.748 -3.909 1.00 0.00 O ATOM 0 H ASP F 25 108.693 -8.806 -2.976 1.00 0.00 H new ATOM 0 HA ASP F 25 106.931 -6.857 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.485 -9.109 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.213 -8.257 -2.881 1.00 0.00 H new ATOM 1197 N GLN F 26 107.571 -6.820 -0.805 1.00 0.00 N ATOM 1198 CA GLN F 26 107.516 -6.033 0.413 1.00 0.00 C ATOM 1199 C GLN F 26 108.255 -4.708 0.196 1.00 0.00 C ATOM 1200 O GLN F 26 107.818 -3.664 0.686 1.00 0.00 O ATOM 1201 CB GLN F 26 108.125 -6.828 1.574 1.00 0.00 C ATOM 1202 CG GLN F 26 107.214 -8.010 1.937 1.00 0.00 C ATOM 1203 CD GLN F 26 105.858 -7.515 2.442 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.807 -6.649 3.415 1.00 0.00 O flip ATOM 1205 NE2 GLN F 26 104.817 -7.927 1.932 1.00 0.00 N flip ATOM 0 H GLN F 26 108.109 -7.683 -0.722 1.00 0.00 H new ATOM 0 HA GLN F 26 106.479 -5.811 0.666 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.114 -7.192 1.297 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.256 -6.180 2.440 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.072 -8.647 1.064 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.691 -8.621 2.703 1.00 0.00 H new ATOM 0 HE21 GLN F 26 104.856 -8.605 1.171 1.00 0.00 H new ATOM 0 HE22 GLN F 26 103.915 -7.591 2.271 1.00 0.00 H new ATOM 1214 N LEU F 27 109.357 -4.756 -0.572 1.00 0.00 N ATOM 1215 CA LEU F 27 110.120 -3.541 -0.882 1.00 0.00 C ATOM 1216 C LEU F 27 109.270 -2.606 -1.739 1.00 0.00 C ATOM 1217 O LEU F 27 109.258 -1.397 -1.520 1.00 0.00 O ATOM 1218 CB LEU F 27 111.419 -3.873 -1.644 1.00 0.00 C ATOM 1219 CG LEU F 27 112.499 -4.424 -0.697 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.719 -4.871 -1.518 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.938 -3.332 0.295 1.00 0.00 C ATOM 0 H LEU F 27 109.733 -5.611 -0.983 1.00 0.00 H new ATOM 0 HA LEU F 27 110.382 -3.060 0.061 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.208 -4.605 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.791 -2.977 -2.140 1.00 0.00 H new ATOM 0 HG LEU F 27 112.088 -5.270 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.485 -5.262 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.420 -5.649 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.119 -4.020 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.703 -3.732 0.961 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.344 -2.483 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.079 -3.007 0.882 1.00 0.00 H new ATOM 1233 N CYS F 28 108.559 -3.181 -2.713 1.00 0.00 N ATOM 1234 CA CYS F 28 107.702 -2.393 -3.602 1.00 0.00 C ATOM 1235 C CYS F 28 106.614 -1.692 -2.791 1.00 0.00 C ATOM 1236 O CYS F 28 106.402 -0.484 -2.933 1.00 0.00 O ATOM 1237 CB CYS F 28 107.071 -3.304 -4.662 1.00 0.00 C ATOM 1238 SG CYS F 28 106.445 -2.303 -6.036 1.00 0.00 S ATOM 0 H CYS F 28 108.560 -4.183 -2.905 1.00 0.00 H new ATOM 0 HA CYS F 28 108.307 -1.637 -4.103 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.809 -4.018 -5.027 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.259 -3.882 -4.221 1.00 0.00 H new ATOM 1243 N ALA F 29 105.946 -2.460 -1.925 1.00 0.00 N ATOM 1244 CA ALA F 29 104.897 -1.913 -1.067 1.00 0.00 C ATOM 1245 C ALA F 29 105.499 -0.883 -0.111 1.00 0.00 C ATOM 1246 O ALA F 29 104.901 0.166 0.152 1.00 0.00 O ATOM 1247 CB ALA F 29 104.243 -3.042 -0.262 1.00 0.00 C ATOM 0 H ALA F 29 106.114 -3.458 -1.802 1.00 0.00 H new ATOM 0 HA ALA F 29 104.142 -1.431 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.462 -2.629 0.376 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.806 -3.770 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA F 29 104.996 -3.531 0.357 1.00 0.00 H new ATOM 1253 N PHE F 30 106.693 -1.198 0.395 1.00 0.00 N ATOM 1254 CA PHE F 30 107.402 -0.317 1.317 1.00 0.00 C ATOM 1255 C PHE F 30 107.725 1.017 0.643 1.00 0.00 C ATOM 1256 O PHE F 30 107.372 2.074 1.163 1.00 0.00 O ATOM 1257 CB PHE F 30 108.697 -1.021 1.775 1.00 0.00 C ATOM 1258 CG PHE F 30 109.611 -0.066 2.526 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.168 0.558 3.701 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.910 0.189 2.047 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.013 1.430 4.393 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.750 1.062 2.743 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.302 1.681 3.914 1.00 0.00 C ATOM 0 H PHE F 30 107.189 -2.062 0.178 1.00 0.00 H new ATOM 0 HA PHE F 30 106.773 -0.108 2.182 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.446 -1.867 2.416 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.221 -1.422 0.908 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.172 0.364 4.072 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.257 -0.289 1.143 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.670 1.910 5.298 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.746 1.259 2.376 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.954 2.355 4.450 1.00 0.00 H new ATOM 1273 N ILE F 31 108.388 0.953 -0.516 1.00 0.00 N ATOM 1274 CA ILE F 31 108.759 2.162 -1.255 1.00 0.00 C ATOM 1275 C ILE F 31 107.523 2.969 -1.635 1.00 0.00 C ATOM 1276 O ILE F 31 107.544 4.203 -1.582 1.00 0.00 O ATOM 1277 CB ILE F 31 109.588 1.794 -2.498 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.913 1.165 -2.033 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.892 3.056 -3.329 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.684 0.599 -3.224 1.00 0.00 C ATOM 0 H ILE F 31 108.677 0.081 -0.960 1.00 0.00 H new ATOM 0 HA ILE F 31 109.374 2.788 -0.608 1.00 0.00 H new ATOM 0 HB ILE F 31 109.026 1.092 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.519 1.914 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.713 0.372 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.479 2.782 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE F 31 108.957 3.516 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.456 3.764 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.618 0.158 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.083 -0.166 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.902 1.400 -3.930 1.00 0.00 H new ATOM 1292 N HIS F 32 106.437 2.270 -1.989 1.00 0.00 N ATOM 1293 CA HIS F 32 105.180 2.937 -2.345 1.00 0.00 C ATOM 1294 C HIS F 32 104.665 3.740 -1.145 1.00 0.00 C ATOM 1295 O HIS F 32 104.162 4.856 -1.299 1.00 0.00 O ATOM 1296 CB HIS F 32 104.132 1.897 -2.768 1.00 0.00 C ATOM 1297 CG HIS F 32 102.901 2.592 -3.288 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.018 3.262 -2.454 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.390 2.723 -4.556 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.032 3.761 -3.223 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.210 3.462 -4.512 1.00 0.00 N ATOM 0 H HIS F 32 106.404 1.252 -2.036 1.00 0.00 H new ATOM 0 HA HIS F 32 105.360 3.614 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.544 1.245 -3.538 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.872 1.264 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS F 32 102.835 2.315 -5.451 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.199 4.333 -2.843 1.00 0.00 H new ATOM 0 HE2 HIS F 32 100.611 3.719 -5.296 1.00 0.00 H new ATOM 1310 N SER F 33 104.819 3.153 0.048 1.00 0.00 N ATOM 1311 CA SER F 33 104.394 3.800 1.287 1.00 0.00 C ATOM 1312 C SER F 33 105.255 5.038 1.588 1.00 0.00 C ATOM 1313 O SER F 33 104.726 6.066 2.020 1.00 0.00 O ATOM 1314 CB SER F 33 104.468 2.807 2.452 1.00 0.00 C ATOM 1315 OG SER F 33 103.718 1.643 2.126 1.00 0.00 O ATOM 0 H SER F 33 105.235 2.231 0.178 1.00 0.00 H new ATOM 0 HA SER F 33 103.362 4.128 1.163 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.506 2.541 2.652 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.075 3.264 3.360 1.00 0.00 H new ATOM 0 HG SER F 33 104.235 1.082 1.511 1.00 0.00 H new ATOM 1321 N LEU F 34 106.583 4.939 1.354 1.00 0.00 N ATOM 1322 CA LEU F 34 107.494 6.073 1.602 1.00 0.00 C ATOM 1323 C LEU F 34 107.064 7.284 0.766 1.00 0.00 C ATOM 1324 O LEU F 34 107.020 8.413 1.262 1.00 0.00 O ATOM 1325 CB LEU F 34 108.955 5.715 1.227 1.00 0.00 C ATOM 1326 CG LEU F 34 109.457 4.479 1.998 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.899 4.141 1.563 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.424 4.762 3.504 1.00 0.00 C ATOM 0 H LEU F 34 107.040 4.099 0.999 1.00 0.00 H new ATOM 0 HA LEU F 34 107.444 6.306 2.666 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.019 5.526 0.155 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.604 6.565 1.440 1.00 0.00 H new ATOM 0 HG LEU F 34 108.809 3.631 1.777 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.249 3.266 2.111 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.916 3.930 0.494 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.551 4.988 1.776 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.780 3.886 4.047 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.067 5.613 3.728 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.402 4.988 3.809 1.00 0.00 H new ATOM 1340 N HIS F 35 106.752 7.021 -0.506 1.00 0.00 N ATOM 1341 CA HIS F 35 106.322 8.066 -1.439 1.00 0.00 C ATOM 1342 C HIS F 35 104.924 8.592 -1.083 1.00 0.00 C ATOM 1343 O HIS F 35 104.655 9.789 -1.222 1.00 0.00 O ATOM 1344 CB HIS F 35 106.322 7.503 -2.871 1.00 0.00 C ATOM 1345 CG HIS F 35 106.043 8.604 -3.866 1.00 0.00 C ATOM 1346 ND1 HIS F 35 106.942 9.633 -4.101 1.00 0.00 N ATOM 1347 CD2 HIS F 35 104.971 8.847 -4.690 1.00 0.00 C ATOM 1348 CE1 HIS F 35 106.400 10.439 -5.032 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.200 10.006 -5.425 1.00 0.00 N ATOM 0 H HIS F 35 106.790 6.087 -0.915 1.00 0.00 H new ATOM 0 HA HIS F 35 107.021 8.900 -1.369 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.286 7.043 -3.088 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.568 6.721 -2.962 1.00 0.00 H new ATOM 0 HD2 HIS F 35 104.086 8.232 -4.757 1.00 0.00 H new ATOM 0 HE1 HIS F 35 106.878 11.329 -5.415 1.00 0.00 H new ATOM 0 HE2 HIS F 35 104.583 10.433 -6.116 1.00 0.00 H new ATOM 1358 N ASP F 36 104.040 7.685 -0.650 1.00 0.00 N ATOM 1359 CA ASP F 36 102.660 8.047 -0.299 1.00 0.00 C ATOM 1360 C ASP F 36 102.615 9.158 0.755 1.00 0.00 C ATOM 1361 O ASP F 36 101.765 10.052 0.680 1.00 0.00 O ATOM 1362 CB ASP F 36 101.914 6.812 0.222 1.00 0.00 C ATOM 1363 CG ASP F 36 100.429 7.131 0.418 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.692 7.051 -0.552 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.051 7.455 1.533 1.00 0.00 O ATOM 0 H ASP F 36 104.255 6.695 -0.534 1.00 0.00 H new ATOM 0 HA ASP F 36 102.175 8.420 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.026 5.987 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.351 6.487 1.166 1.00 0.00 H new ATOM 1370 N ASP F 37 103.522 9.094 1.734 1.00 0.00 N ATOM 1371 CA ASP F 37 103.570 10.096 2.801 1.00 0.00 C ATOM 1372 C ASP F 37 104.985 10.162 3.404 1.00 0.00 C ATOM 1373 O ASP F 37 105.424 9.201 4.039 1.00 0.00 O ATOM 1374 CB ASP F 37 102.543 9.736 3.886 1.00 0.00 C ATOM 1375 CG ASP F 37 102.388 10.892 4.873 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.337 11.166 5.584 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.322 11.487 4.904 1.00 0.00 O ATOM 0 H ASP F 37 104.229 8.363 1.809 1.00 0.00 H new ATOM 0 HA ASP F 37 103.326 11.075 2.388 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.581 9.510 3.426 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.862 8.838 4.415 1.00 0.00 H new ATOM 1382 N PRO F 38 105.706 11.259 3.209 1.00 0.00 N ATOM 1383 CA PRO F 38 107.098 11.416 3.748 1.00 0.00 C ATOM 1384 C PRO F 38 107.182 11.233 5.269 1.00 0.00 C ATOM 1385 O PRO F 38 108.143 10.651 5.769 1.00 0.00 O ATOM 1386 CB PRO F 38 107.500 12.846 3.356 1.00 0.00 C ATOM 1387 CG PRO F 38 106.585 13.233 2.242 1.00 0.00 C ATOM 1388 CD PRO F 38 105.286 12.459 2.455 1.00 0.00 C ATOM 0 HA PRO F 38 107.759 10.651 3.340 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.398 13.527 4.201 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.542 12.886 3.039 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.401 14.307 2.247 1.00 0.00 H new ATOM 0 HG3 PRO F 38 107.027 12.990 1.276 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.558 13.047 3.014 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.820 12.192 1.506 1.00 0.00 H new ATOM 1396 N SER F 39 106.182 11.742 5.995 1.00 0.00 N ATOM 1397 CA SER F 39 106.175 11.632 7.459 1.00 0.00 C ATOM 1398 C SER F 39 106.102 10.170 7.900 1.00 0.00 C ATOM 1399 O SER F 39 106.772 9.767 8.856 1.00 0.00 O ATOM 1400 CB SER F 39 104.990 12.410 8.050 1.00 0.00 C ATOM 1401 OG SER F 39 104.956 13.718 7.492 1.00 0.00 O ATOM 0 H SER F 39 105.377 12.228 5.601 1.00 0.00 H new ATOM 0 HA SER F 39 107.106 12.061 7.829 1.00 0.00 H new ATOM 0 HB2 SER F 39 104.057 11.888 7.838 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.084 12.468 9.134 1.00 0.00 H new ATOM 0 HG SER F 39 104.199 14.214 7.868 1.00 0.00 H new ATOM 1407 N GLN F 40 105.281 9.383 7.198 1.00 0.00 N ATOM 1408 CA GLN F 40 105.110 7.965 7.516 1.00 0.00 C ATOM 1409 C GLN F 40 106.387 7.159 7.297 1.00 0.00 C ATOM 1410 O GLN F 40 106.531 6.090 7.880 1.00 0.00 O ATOM 1411 CB GLN F 40 103.989 7.358 6.664 1.00 0.00 C ATOM 1412 CG GLN F 40 102.632 7.880 7.148 1.00 0.00 C ATOM 1413 CD GLN F 40 101.508 7.374 6.245 1.00 0.00 C ATOM 1414 OE1 GLN F 40 100.616 8.136 5.881 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.499 6.127 5.860 1.00 0.00 N ATOM 0 H GLN F 40 104.725 9.705 6.406 1.00 0.00 H new ATOM 0 HA GLN F 40 104.853 7.913 8.574 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.136 7.616 5.615 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.016 6.270 6.731 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.456 7.555 8.173 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.637 8.970 7.155 1.00 0.00 H new ATOM 0 HE21 GLN F 40 102.240 5.495 6.162 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.751 5.785 5.257 1.00 0.00 H new ATOM 1424 N SER F 41 107.290 7.642 6.434 1.00 0.00 N ATOM 1425 CA SER F 41 108.528 6.902 6.131 1.00 0.00 C ATOM 1426 C SER F 41 109.219 6.409 7.404 1.00 0.00 C ATOM 1427 O SER F 41 109.715 5.286 7.447 1.00 0.00 O ATOM 1428 CB SER F 41 109.491 7.791 5.337 1.00 0.00 C ATOM 1429 OG SER F 41 109.983 8.830 6.175 1.00 0.00 O ATOM 0 H SER F 41 107.192 8.528 5.938 1.00 0.00 H new ATOM 0 HA SER F 41 108.253 6.031 5.536 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.320 7.195 4.955 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.980 8.218 4.474 1.00 0.00 H new ATOM 0 HG SER F 41 109.269 9.481 6.343 1.00 0.00 H new ATOM 1435 N ALA F 42 109.231 7.253 8.429 1.00 0.00 N ATOM 1436 CA ALA F 42 109.853 6.903 9.711 1.00 0.00 C ATOM 1437 C ALA F 42 109.144 5.704 10.353 1.00 0.00 C ATOM 1438 O ALA F 42 109.791 4.718 10.717 1.00 0.00 O ATOM 1439 CB ALA F 42 109.802 8.104 10.661 1.00 0.00 C ATOM 0 H ALA F 42 108.819 8.186 8.402 1.00 0.00 H new ATOM 0 HA ALA F 42 110.892 6.631 9.525 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.266 7.837 11.611 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.340 8.942 10.218 1.00 0.00 H new ATOM 0 HB3 ALA F 42 108.764 8.389 10.832 1.00 0.00 H new ATOM 1445 N ASN F 43 107.813 5.789 10.471 1.00 0.00 N ATOM 1446 CA ASN F 43 107.028 4.693 11.051 1.00 0.00 C ATOM 1447 C ASN F 43 107.142 3.453 10.169 1.00 0.00 C ATOM 1448 O ASN F 43 107.257 2.328 10.664 1.00 0.00 O ATOM 1449 CB ASN F 43 105.555 5.097 11.182 1.00 0.00 C ATOM 1450 CG ASN F 43 105.405 6.200 12.227 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.015 7.321 11.901 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.689 5.942 13.472 1.00 0.00 N ATOM 0 H ASN F 43 107.263 6.596 10.176 1.00 0.00 H new ATOM 0 HA ASN F 43 107.421 4.472 12.043 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.178 5.443 10.220 1.00 0.00 H new ATOM 0 HB3 ASN F 43 104.956 4.232 11.467 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.588 6.670 14.179 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.012 5.012 13.739 1.00 0.00 H new ATOM 1459 N LEU F 44 107.128 3.686 8.858 1.00 0.00 N ATOM 1460 CA LEU F 44 107.248 2.619 7.875 1.00 0.00 C ATOM 1461 C LEU F 44 108.604 1.942 8.021 1.00 0.00 C ATOM 1462 O LEU F 44 108.714 0.728 7.872 1.00 0.00 O ATOM 1463 CB LEU F 44 107.108 3.196 6.460 1.00 0.00 C ATOM 1464 CG LEU F 44 105.682 3.736 6.242 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.669 4.670 5.023 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.719 2.566 5.996 1.00 0.00 C ATOM 0 H LEU F 44 107.033 4.617 8.452 1.00 0.00 H new ATOM 0 HA LEU F 44 106.458 1.887 8.041 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.834 3.996 6.313 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.329 2.425 5.722 1.00 0.00 H new ATOM 0 HG LEU F 44 105.366 4.286 7.128 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.660 5.052 4.868 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.350 5.503 5.196 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.987 4.118 4.139 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.711 2.951 5.842 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.036 2.014 5.111 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.726 1.901 6.860 1.00 0.00 H new ATOM 1478 N LEU F 45 109.627 2.747 8.327 1.00 0.00 N ATOM 1479 CA LEU F 45 110.982 2.234 8.510 1.00 0.00 C ATOM 1480 C LEU F 45 111.012 1.237 9.666 1.00 0.00 C ATOM 1481 O LEU F 45 111.704 0.227 9.596 1.00 0.00 O ATOM 1482 CB LEU F 45 111.962 3.395 8.799 1.00 0.00 C ATOM 1483 CG LEU F 45 112.958 3.554 7.635 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.263 4.220 6.434 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.152 4.426 8.072 1.00 0.00 C ATOM 0 H LEU F 45 109.539 3.755 8.452 1.00 0.00 H new ATOM 0 HA LEU F 45 111.289 1.731 7.593 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.407 4.322 8.941 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.502 3.202 9.726 1.00 0.00 H new ATOM 0 HG LEU F 45 113.316 2.565 7.349 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.975 4.328 5.616 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.427 3.601 6.108 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.894 5.203 6.726 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.849 4.531 7.241 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.793 5.411 8.371 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.659 3.953 8.913 1.00 0.00 H new ATOM 1497 N ALA F 46 110.254 1.535 10.724 1.00 0.00 N ATOM 1498 CA ALA F 46 110.203 0.662 11.895 1.00 0.00 C ATOM 1499 C ALA F 46 109.627 -0.707 11.533 1.00 0.00 C ATOM 1500 O ALA F 46 110.247 -1.736 11.812 1.00 0.00 O ATOM 1501 CB ALA F 46 109.350 1.312 12.993 1.00 0.00 C ATOM 0 H ALA F 46 109.671 2.369 10.792 1.00 0.00 H new ATOM 0 HA ALA F 46 111.220 0.520 12.261 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.316 0.656 13.863 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.789 2.269 13.276 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.338 1.473 12.620 1.00 0.00 H new ATOM 1507 N GLU F 47 108.442 -0.717 10.911 1.00 0.00 N ATOM 1508 CA GLU F 47 107.801 -1.978 10.520 1.00 0.00 C ATOM 1509 C GLU F 47 108.600 -2.671 9.421 1.00 0.00 C ATOM 1510 O GLU F 47 108.768 -3.891 9.444 1.00 0.00 O ATOM 1511 CB GLU F 47 106.386 -1.732 10.003 1.00 0.00 C ATOM 1512 CG GLU F 47 105.492 -1.167 11.117 1.00 0.00 C ATOM 1513 CD GLU F 47 105.262 -2.213 12.212 1.00 0.00 C ATOM 1514 OE1 GLU F 47 104.640 -3.223 11.919 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.710 -1.991 13.327 1.00 0.00 O ATOM 0 H GLU F 47 107.914 0.122 10.670 1.00 0.00 H new ATOM 0 HA GLU F 47 107.763 -2.611 11.407 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.416 -1.036 9.165 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.963 -2.664 9.628 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.956 -0.280 11.547 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.535 -0.855 10.699 1.00 0.00 H new ATOM 1522 N ALA F 48 109.102 -1.883 8.456 1.00 0.00 N ATOM 1523 CA ALA F 48 109.896 -2.428 7.346 1.00 0.00 C ATOM 1524 C ALA F 48 111.147 -3.102 7.894 1.00 0.00 C ATOM 1525 O ALA F 48 111.490 -4.223 7.511 1.00 0.00 O ATOM 1526 CB ALA F 48 110.293 -1.303 6.385 1.00 0.00 C ATOM 0 H ALA F 48 108.972 -0.872 8.423 1.00 0.00 H new ATOM 0 HA ALA F 48 109.298 -3.162 6.806 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.881 -1.715 5.565 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.395 -0.832 5.986 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.886 -0.560 6.919 1.00 0.00 H new ATOM 1532 N LYS F 49 111.787 -2.415 8.835 1.00 0.00 N ATOM 1533 CA LYS F 49 112.962 -2.947 9.492 1.00 0.00 C ATOM 1534 C LYS F 49 112.558 -4.173 10.315 1.00 0.00 C ATOM 1535 O LYS F 49 113.301 -5.154 10.391 1.00 0.00 O ATOM 1536 CB LYS F 49 113.574 -1.876 10.403 1.00 0.00 C ATOM 1537 CG LYS F 49 114.951 -2.337 10.899 1.00 0.00 C ATOM 1538 CD LYS F 49 115.005 -2.271 12.431 1.00 0.00 C ATOM 1539 CE LYS F 49 115.069 -0.809 12.904 1.00 0.00 C ATOM 1540 NZ LYS F 49 116.468 -0.305 12.794 1.00 0.00 N ATOM 0 H LYS F 49 111.506 -1.488 9.156 1.00 0.00 H new ATOM 0 HA LYS F 49 113.704 -3.238 8.749 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.669 -0.936 9.860 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.916 -1.689 11.252 1.00 0.00 H new ATOM 0 HG2 LYS F 49 115.145 -3.356 10.563 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.731 -1.706 10.472 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.126 -2.758 12.853 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.877 -2.816 12.794 1.00 0.00 H new ATOM 0 HE2 LYS F 49 114.402 -0.192 12.302 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.726 -0.735 13.936 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.495 0.703 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 117.082 -0.843 13.438 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.804 -0.423 11.817 1.00 0.00 H new ATOM 1554 N LYS F 50 111.359 -4.107 10.920 1.00 0.00 N ATOM 1555 CA LYS F 50 110.848 -5.211 11.725 1.00 0.00 C ATOM 1556 C LYS F 50 110.641 -6.439 10.848 1.00 0.00 C ATOM 1557 O LYS F 50 110.907 -7.556 11.281 1.00 0.00 O ATOM 1558 CB LYS F 50 109.537 -4.796 12.410 1.00 0.00 C ATOM 1559 CG LYS F 50 109.027 -5.921 13.323 1.00 0.00 C ATOM 1560 CD LYS F 50 107.858 -5.411 14.181 1.00 0.00 C ATOM 1561 CE LYS F 50 106.598 -5.271 13.321 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.487 -4.733 14.157 1.00 0.00 N ATOM 0 H LYS F 50 110.735 -3.302 10.863 1.00 0.00 H new ATOM 0 HA LYS F 50 111.573 -5.462 12.499 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.696 -3.890 12.994 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.785 -4.562 11.657 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.704 -6.771 12.722 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.834 -6.274 13.965 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.672 -6.101 15.004 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.114 -4.449 14.624 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.790 -4.605 12.480 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.319 -6.239 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.749 -4.338 13.540 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.084 -5.499 14.733 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.853 -3.986 14.782 1.00 0.00 H new ATOM 1576 N LEU F 51 110.186 -6.223 9.606 1.00 0.00 N ATOM 1577 CA LEU F 51 109.981 -7.332 8.672 1.00 0.00 C ATOM 1578 C LEU F 51 111.297 -8.016 8.383 1.00 0.00 C ATOM 1579 O LEU F 51 111.362 -9.239 8.319 1.00 0.00 O ATOM 1580 CB LEU F 51 109.410 -6.840 7.347 1.00 0.00 C ATOM 1581 CG LEU F 51 107.924 -6.528 7.461 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.406 -6.109 6.079 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.159 -7.770 7.964 1.00 0.00 C ATOM 0 H LEU F 51 109.956 -5.303 9.231 1.00 0.00 H new ATOM 0 HA LEU F 51 109.279 -8.024 9.138 1.00 0.00 H new ATOM 0 HB2 LEU F 51 109.947 -5.947 7.028 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.566 -7.597 6.579 1.00 0.00 H new ATOM 0 HG LEU F 51 107.768 -5.719 8.174 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.342 -5.882 6.143 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.946 -5.225 5.741 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.561 -6.922 5.370 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.097 -7.536 8.042 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.299 -8.592 7.262 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.540 -8.060 8.943 1.00 0.00 H new ATOM 1595 N ASN F 52 112.348 -7.213 8.221 1.00 0.00 N ATOM 1596 CA ASN F 52 113.674 -7.755 7.957 1.00 0.00 C ATOM 1597 C ASN F 52 114.035 -8.725 9.094 1.00 0.00 C ATOM 1598 O ASN F 52 114.651 -9.765 8.862 1.00 0.00 O ATOM 1599 CB ASN F 52 114.695 -6.597 7.807 1.00 0.00 C ATOM 1600 CG ASN F 52 115.870 -6.736 8.768 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.822 -7.471 8.503 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.849 -6.065 9.875 1.00 0.00 N ATOM 0 H ASN F 52 112.305 -6.195 8.268 1.00 0.00 H new ATOM 0 HA ASN F 52 113.694 -8.310 7.019 1.00 0.00 H new ATOM 0 HB2 ASN F 52 115.067 -6.573 6.783 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.192 -5.646 7.986 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.624 -6.143 10.534 1.00 0.00 H new ATOM 0 HD22 ASN F 52 115.058 -5.458 10.088 1.00 0.00 H new ATOM 1609 N ASP F 53 113.599 -8.368 10.312 1.00 0.00 N ATOM 1610 CA ASP F 53 113.821 -9.197 11.497 1.00 0.00 C ATOM 1611 C ASP F 53 112.816 -10.362 11.536 1.00 0.00 C ATOM 1612 O ASP F 53 113.158 -11.480 11.930 1.00 0.00 O ATOM 1613 CB ASP F 53 113.677 -8.346 12.765 1.00 0.00 C ATOM 1614 CG ASP F 53 114.043 -9.170 14.000 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.223 -9.261 14.302 1.00 0.00 O ATOM 1616 OD2 ASP F 53 113.139 -9.703 14.626 1.00 0.00 O ATOM 0 H ASP F 53 113.088 -7.505 10.498 1.00 0.00 H new ATOM 0 HA ASP F 53 114.830 -9.606 11.450 1.00 0.00 H new ATOM 0 HB2 ASP F 53 114.323 -7.470 12.699 1.00 0.00 H new ATOM 0 HB3 ASP F 53 112.653 -7.982 12.853 1.00 0.00 H new ATOM 1621 N ALA F 54 111.574 -10.071 11.131 1.00 0.00 N ATOM 1622 CA ALA F 54 110.494 -11.064 11.117 1.00 0.00 C ATOM 1623 C ALA F 54 110.731 -12.138 10.052 1.00 0.00 C ATOM 1624 O ALA F 54 110.353 -13.299 10.236 1.00 0.00 O ATOM 1625 CB ALA F 54 109.155 -10.367 10.842 1.00 0.00 C ATOM 0 H ALA F 54 111.291 -9.147 10.806 1.00 0.00 H new ATOM 0 HA ALA F 54 110.473 -11.549 12.093 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.355 -11.107 10.832 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.960 -9.632 11.623 1.00 0.00 H new ATOM 0 HB3 ALA F 54 109.198 -9.866 9.875 1.00 0.00 H new ATOM 1631 N GLN F 55 111.348 -11.731 8.941 1.00 0.00 N ATOM 1632 CA GLN F 55 111.634 -12.637 7.824 1.00 0.00 C ATOM 1633 C GLN F 55 113.045 -13.213 7.942 1.00 0.00 C ATOM 1634 O GLN F 55 113.413 -14.134 7.210 1.00 0.00 O ATOM 1635 CB GLN F 55 111.501 -11.882 6.495 1.00 0.00 C ATOM 1636 CG GLN F 55 110.048 -11.419 6.310 1.00 0.00 C ATOM 1637 CD GLN F 55 109.871 -10.710 4.966 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.474 -11.100 3.966 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.068 -9.688 4.885 1.00 0.00 N ATOM 0 H GLN F 55 111.662 -10.772 8.789 1.00 0.00 H new ATOM 0 HA GLN F 55 110.917 -13.457 7.855 1.00 0.00 H new ATOM 0 HB2 GLN F 55 112.172 -11.023 6.484 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.796 -12.527 5.667 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.378 -12.277 6.365 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.770 -10.746 7.121 1.00 0.00 H new ATOM 0 HE21 GLN F 55 108.568 -9.365 5.714 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.939 -9.211 3.993 1.00 0.00 H new ATOM 1648 N ALA F 56 113.822 -12.638 8.857 1.00 0.00 N ATOM 1649 CA ALA F 56 115.196 -13.047 9.084 1.00 0.00 C ATOM 1650 C ALA F 56 115.292 -14.515 9.504 1.00 0.00 C ATOM 1651 O ALA F 56 114.290 -15.142 9.857 1.00 0.00 O ATOM 1652 CB ALA F 56 115.820 -12.162 10.172 1.00 0.00 C ATOM 0 H ALA F 56 113.512 -11.876 9.459 1.00 0.00 H new ATOM 0 HA ALA F 56 115.738 -12.932 8.145 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.852 -12.469 10.343 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.799 -11.121 9.850 1.00 0.00 H new ATOM 0 HB3 ALA F 56 115.252 -12.267 11.097 1.00 0.00 H new