USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=14 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= 0.199 X(o=-0.1,f=-0.44) USER MOD Set 1.2: F 55 GLN : amide:sc= -0.301 X(o=-0.1,f=-0.51) USER MOD Set 2.1: E 39 SER OG : rot 180:sc= -0.0576 USER MOD Set 2.2: E 40 GLN : amide:sc= -0.481 X(o=-0.54,f=-0.92) USER MOD Set 3.1: E 23 ASN : amide:sc= 0.459 K(o=0.1,f=-6!) USER MOD Set 3.2: E 55 GLN : amide:sc= -0.359 K(o=0.1,f=-1.9!) USER MOD Single : C 28 LYS NZ :NH3+ -159:sc= -0.078 (180deg=-0.555) USER MOD Single : C 35 MET CE :methyl -156:sc= -0.166 (180deg=-0.968) USER MOD Single : E 18 TYR OH : rot 144:sc= 1.14 USER MOD Single : E 21 ASN : amide:sc= -1.64! X(o=-1.6!,f=-1.8) USER MOD Single : E 26 GLN :FLIP amide:sc= -0.409 F(o=-1.7,f=-0.41) USER MOD Single : E 32 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-4.7!) USER MOD Single : E 33 SER OG : rot 84:sc= 1.1 USER MOD Single : E 35 HIS : no HD1:sc= -0.844 X(o=-0.84,f=-1) USER MOD Single : E 41 SER OG : rot -91:sc= 1.22 USER MOD Single : E 43 ASN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : E 49 LYS NZ :NH3+ 140:sc= 0.753 (180deg=-0.833) USER MOD Single : E 50 LYS NZ :NH3+ 167:sc=-0.00157 (180deg=-0.233) USER MOD Single : E 52 ASN : amide:sc= -0.107 K(o=-0.11,f=-1) USER MOD Single : F 18 TYR OH : rot -91:sc= 0.886 USER MOD Single : F 21 ASN : amide:sc= -0.194 K(o=-0.19,f=-1) USER MOD Single : F 26 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : F 32 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.9!) USER MOD Single : F 33 SER OG : rot 82:sc= 1.24 USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : F 39 SER OG : rot -32:sc= 0.846 USER MOD Single : F 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : F 41 SER OG : rot -90:sc= 1.13 USER MOD Single : F 43 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.2) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 52 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.640 -7.604 -3.210 1.00 0.00 N ATOM 24 CA LEU C 17 122.944 -6.321 -3.175 1.00 0.00 C ATOM 25 C LEU C 17 121.952 -6.284 -2.029 1.00 0.00 C ATOM 26 O LEU C 17 121.378 -7.311 -1.652 1.00 0.00 O ATOM 27 CB LEU C 17 122.240 -6.034 -4.510 1.00 0.00 C ATOM 28 CG LEU C 17 123.123 -5.101 -5.369 1.00 0.00 C ATOM 29 CD1 LEU C 17 124.009 -5.927 -6.315 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.225 -4.138 -6.163 1.00 0.00 C ATOM 0 HA LEU C 17 123.688 -5.540 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU C 17 122.053 -6.967 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.270 -5.570 -4.329 1.00 0.00 H new ATOM 0 HG LEU C 17 123.777 -4.520 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.626 -5.257 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.651 -6.585 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.379 -6.526 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.846 -3.479 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.562 -4.710 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.630 -3.541 -5.471 1.00 0.00 H new ATOM 42 N VAL C 18 121.779 -5.088 -1.467 1.00 0.00 N ATOM 43 CA VAL C 18 120.876 -4.898 -0.335 1.00 0.00 C ATOM 44 C VAL C 18 120.128 -3.576 -0.477 1.00 0.00 C ATOM 45 O VAL C 18 120.733 -2.568 -0.811 1.00 0.00 O ATOM 46 CB VAL C 18 121.688 -4.901 0.978 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.733 -5.068 2.166 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.711 -6.055 0.968 1.00 0.00 C ATOM 0 H VAL C 18 122.251 -4.239 -1.777 1.00 0.00 H new ATOM 0 HA VAL C 18 120.151 -5.712 -0.315 1.00 0.00 H new ATOM 0 HB VAL C 18 122.224 -3.956 1.069 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.304 -5.070 3.094 1.00 0.00 H new ATOM 0 HG12 VAL C 18 120.022 -4.242 2.180 1.00 0.00 H new ATOM 0 HG13 VAL C 18 120.193 -6.010 2.069 1.00 0.00 H new ATOM 0 HG21 VAL C 18 123.278 -6.047 1.899 1.00 0.00 H new ATOM 0 HG22 VAL C 18 122.186 -7.005 0.871 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.393 -5.929 0.127 1.00 0.00 H new ATOM 58 N PHE C 19 118.817 -3.585 -0.208 1.00 0.00 N ATOM 59 CA PHE C 19 118.003 -2.373 -0.295 1.00 0.00 C ATOM 60 C PHE C 19 117.775 -1.816 1.095 1.00 0.00 C ATOM 61 O PHE C 19 117.379 -2.545 2.000 1.00 0.00 O ATOM 62 CB PHE C 19 116.643 -2.674 -0.951 1.00 0.00 C ATOM 63 CG PHE C 19 116.590 -2.028 -2.314 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.406 -2.520 -3.340 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.732 -0.938 -2.558 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.372 -1.932 -4.605 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.704 -0.353 -3.829 1.00 0.00 C ATOM 68 CZ PHE C 19 116.523 -0.850 -4.850 1.00 0.00 C ATOM 0 H PHE C 19 118.300 -4.419 0.071 1.00 0.00 H new ATOM 0 HA PHE C 19 118.533 -1.644 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.501 -3.751 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.834 -2.297 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.063 -3.356 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.100 -0.556 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.002 -2.313 -5.395 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.049 0.484 -4.023 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.498 -0.396 -5.830 1.00 0.00 H new ATOM 78 N PHE C 20 118.030 -0.526 1.251 1.00 0.00 N ATOM 79 CA PHE C 20 117.853 0.137 2.551 1.00 0.00 C ATOM 80 C PHE C 20 117.299 1.552 2.387 1.00 0.00 C ATOM 81 O PHE C 20 117.460 2.178 1.336 1.00 0.00 O ATOM 82 CB PHE C 20 119.191 0.187 3.291 1.00 0.00 C ATOM 83 CG PHE C 20 120.157 1.048 2.532 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.187 2.427 2.757 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.013 0.467 1.599 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.075 3.226 2.044 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.900 1.262 0.892 1.00 0.00 C ATOM 88 CZ PHE C 20 121.935 2.646 1.110 1.00 0.00 C ATOM 0 H PHE C 20 118.358 0.086 0.504 1.00 0.00 H new ATOM 0 HA PHE C 20 117.132 -0.441 3.130 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.047 0.584 4.296 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.595 -0.820 3.401 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.522 2.871 3.483 1.00 0.00 H new ATOM 0 HD2 PHE C 20 120.985 -0.599 1.428 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.099 4.292 2.213 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.567 0.814 0.170 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.627 3.263 0.556 1.00 0.00 H new ATOM 98 N ALA C 21 116.669 2.050 3.453 1.00 0.00 N ATOM 99 CA ALA C 21 116.112 3.395 3.467 1.00 0.00 C ATOM 100 C ALA C 21 116.749 4.181 4.607 1.00 0.00 C ATOM 101 O ALA C 21 116.898 3.651 5.710 1.00 0.00 O ATOM 102 CB ALA C 21 114.598 3.318 3.667 1.00 0.00 C ATOM 0 H ALA C 21 116.534 1.533 4.322 1.00 0.00 H new ATOM 0 HA ALA C 21 116.319 3.894 2.520 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.181 4.325 3.678 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.152 2.749 2.852 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.381 2.825 4.615 1.00 0.00 H new ATOM 108 N GLU C 22 117.130 5.437 4.342 1.00 0.00 N ATOM 109 CA GLU C 22 117.758 6.271 5.378 1.00 0.00 C ATOM 110 C GLU C 22 116.880 7.464 5.729 1.00 0.00 C ATOM 111 O GLU C 22 116.423 8.181 4.847 1.00 0.00 O ATOM 112 CB GLU C 22 119.146 6.773 4.935 1.00 0.00 C ATOM 113 CG GLU C 22 119.133 7.271 3.486 1.00 0.00 C ATOM 114 CD GLU C 22 120.385 8.115 3.223 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.469 7.552 3.220 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.243 9.312 3.039 1.00 0.00 O ATOM 0 H GLU C 22 117.018 5.893 3.437 1.00 0.00 H new ATOM 0 HA GLU C 22 117.877 5.642 6.260 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.469 7.579 5.594 1.00 0.00 H new ATOM 0 HB3 GLU C 22 119.874 5.968 5.036 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.102 6.425 2.800 1.00 0.00 H new ATOM 0 HG3 GLU C 22 118.237 7.864 3.302 1.00 0.00 H new ATOM 123 N ASP C 23 116.684 7.679 7.035 1.00 0.00 N ATOM 124 CA ASP C 23 115.892 8.798 7.522 1.00 0.00 C ATOM 125 C ASP C 23 116.684 10.070 7.295 1.00 0.00 C ATOM 126 O ASP C 23 117.811 10.198 7.774 1.00 0.00 O ATOM 127 CB ASP C 23 115.591 8.625 9.015 1.00 0.00 C ATOM 128 CG ASP C 23 114.590 9.686 9.478 1.00 0.00 C ATOM 129 OD1 ASP C 23 114.947 10.852 9.480 1.00 0.00 O ATOM 130 OD2 ASP C 23 113.478 9.317 9.821 1.00 0.00 O ATOM 0 H ASP C 23 117.068 7.086 7.771 1.00 0.00 H new ATOM 0 HA ASP C 23 114.943 8.845 6.988 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.188 7.629 9.199 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.512 8.708 9.591 1.00 0.00 H new ATOM 135 N VAL C 24 116.104 10.978 6.528 1.00 0.00 N ATOM 136 CA VAL C 24 116.770 12.239 6.183 1.00 0.00 C ATOM 137 C VAL C 24 115.971 13.464 6.652 1.00 0.00 C ATOM 138 O VAL C 24 116.026 14.527 6.026 1.00 0.00 O ATOM 139 CB VAL C 24 117.045 12.242 4.664 1.00 0.00 C ATOM 140 CG1 VAL C 24 118.106 11.168 4.376 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.752 11.915 3.886 1.00 0.00 C ATOM 0 H VAL C 24 115.172 10.872 6.128 1.00 0.00 H new ATOM 0 HA VAL C 24 117.720 12.311 6.712 1.00 0.00 H new ATOM 0 HB VAL C 24 117.395 13.225 4.349 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.321 11.147 3.308 1.00 0.00 H new ATOM 0 HG12 VAL C 24 119.018 11.401 4.926 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.732 10.194 4.690 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.960 11.920 2.816 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.390 10.930 4.180 1.00 0.00 H new ATOM 0 HG23 VAL C 24 114.992 12.663 4.112 1.00 0.00 H new ATOM 183 N LYS C 28 111.442 14.808 2.169 1.00 0.00 N ATOM 184 CA LYS C 28 111.898 13.615 1.475 1.00 0.00 C ATOM 185 C LYS C 28 111.551 12.350 2.268 1.00 0.00 C ATOM 186 O LYS C 28 111.411 11.268 1.690 1.00 0.00 O ATOM 187 CB LYS C 28 113.415 13.698 1.312 1.00 0.00 C ATOM 188 CG LYS C 28 113.790 15.003 0.590 1.00 0.00 C ATOM 189 CD LYS C 28 115.225 14.920 0.043 1.00 0.00 C ATOM 190 CE LYS C 28 116.241 14.907 1.194 1.00 0.00 C ATOM 191 NZ LYS C 28 116.166 16.194 1.945 1.00 0.00 N ATOM 0 HA LYS C 28 111.404 13.561 0.505 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.898 13.660 2.289 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.777 12.841 0.744 1.00 0.00 H new ATOM 0 HG2 LYS C 28 113.093 15.187 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.704 15.844 1.278 1.00 0.00 H new ATOM 0 HD2 LYS C 28 115.339 14.019 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS C 28 115.420 15.769 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS C 28 116.036 14.072 1.863 1.00 0.00 H new ATOM 0 HE3 LYS C 28 117.248 14.762 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.051 16.341 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.026 16.978 1.277 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 115.369 16.161 2.612 1.00 0.00 H new ATOM 205 N GLY C 29 111.460 12.489 3.598 1.00 0.00 N ATOM 206 CA GLY C 29 111.183 11.351 4.477 1.00 0.00 C ATOM 207 C GLY C 29 112.446 10.510 4.580 1.00 0.00 C ATOM 208 O GLY C 29 113.364 10.849 5.337 1.00 0.00 O ATOM 0 H GLY C 29 111.574 13.378 4.085 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.877 11.699 5.464 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.361 10.755 4.080 1.00 0.00 H new ATOM 212 N ALA C 30 112.504 9.443 3.779 1.00 0.00 N ATOM 213 CA ALA C 30 113.679 8.580 3.729 1.00 0.00 C ATOM 214 C ALA C 30 114.141 8.436 2.279 1.00 0.00 C ATOM 215 O ALA C 30 113.358 8.661 1.350 1.00 0.00 O ATOM 216 CB ALA C 30 113.377 7.209 4.329 1.00 0.00 C ATOM 0 H ALA C 30 111.748 9.159 3.156 1.00 0.00 H new ATOM 0 HA ALA C 30 114.474 9.034 4.320 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.270 6.585 4.279 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.074 7.326 5.369 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.572 6.735 3.767 1.00 0.00 H new ATOM 222 N ILE C 31 115.415 8.074 2.091 1.00 0.00 N ATOM 223 CA ILE C 31 115.977 7.920 0.745 1.00 0.00 C ATOM 224 C ILE C 31 116.237 6.455 0.449 1.00 0.00 C ATOM 225 O ILE C 31 116.904 5.774 1.230 1.00 0.00 O ATOM 226 CB ILE C 31 117.316 8.671 0.614 1.00 0.00 C ATOM 227 CG1 ILE C 31 117.226 10.064 1.260 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.669 8.831 -0.869 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.420 10.929 0.820 1.00 0.00 C ATOM 0 H ILE C 31 116.072 7.884 2.848 1.00 0.00 H new ATOM 0 HA ILE C 31 115.253 8.331 0.042 1.00 0.00 H new ATOM 0 HB ILE C 31 118.086 8.094 1.125 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.292 10.547 0.973 1.00 0.00 H new ATOM 0 HG13 ILE C 31 117.216 9.970 2.346 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.616 9.362 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.758 7.847 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.884 9.397 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE C 31 118.347 11.913 1.283 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.349 10.451 1.129 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.411 11.037 -0.265 1.00 0.00 H new ATOM 241 N ILE C 32 115.747 5.988 -0.700 1.00 0.00 N ATOM 242 CA ILE C 32 115.974 4.611 -1.104 1.00 0.00 C ATOM 243 C ILE C 32 117.358 4.505 -1.712 1.00 0.00 C ATOM 244 O ILE C 32 117.647 5.117 -2.744 1.00 0.00 O ATOM 245 CB ILE C 32 114.898 4.124 -2.112 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.735 3.473 -1.346 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.478 3.093 -3.105 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.222 2.212 -0.604 1.00 0.00 C ATOM 0 H ILE C 32 115.197 6.541 -1.357 1.00 0.00 H new ATOM 0 HA ILE C 32 115.901 3.969 -0.226 1.00 0.00 H new ATOM 0 HB ILE C 32 114.550 4.991 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.317 4.184 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.936 3.210 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.697 2.774 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.295 3.547 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.852 2.229 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.388 1.762 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.618 1.496 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE C 32 115.005 2.486 0.104 1.00 0.00 H new ATOM 260 N GLY C 33 118.188 3.699 -1.070 1.00 0.00 N ATOM 261 CA GLY C 33 119.541 3.452 -1.528 1.00 0.00 C ATOM 262 C GLY C 33 119.837 1.979 -1.378 1.00 0.00 C ATOM 263 O GLY C 33 119.262 1.311 -0.515 1.00 0.00 O ATOM 0 H GLY C 33 117.940 3.198 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.650 3.756 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.251 4.042 -0.948 1.00 0.00 H new ATOM 267 N LEU C 34 120.721 1.473 -2.220 1.00 0.00 N ATOM 268 CA LEU C 34 121.081 0.059 -2.170 1.00 0.00 C ATOM 269 C LEU C 34 122.581 -0.113 -2.097 1.00 0.00 C ATOM 270 O LEU C 34 123.347 0.711 -2.589 1.00 0.00 O ATOM 271 CB LEU C 34 120.536 -0.702 -3.382 1.00 0.00 C ATOM 272 CG LEU C 34 120.764 0.122 -4.649 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.356 -0.790 -5.723 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.428 0.734 -5.109 1.00 0.00 C ATOM 0 H LEU C 34 121.201 2.011 -2.942 1.00 0.00 H new ATOM 0 HA LEU C 34 120.629 -0.356 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU C 34 121.032 -1.669 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.472 -0.900 -3.251 1.00 0.00 H new ATOM 0 HG LEU C 34 121.460 0.939 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.525 -0.217 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.303 -1.199 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.663 -1.605 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.589 1.322 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.715 -0.064 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.033 1.378 -4.323 1.00 0.00 H new ATOM 286 N MET C 35 122.964 -1.204 -1.472 1.00 0.00 N ATOM 287 CA MET C 35 124.368 -1.553 -1.292 1.00 0.00 C ATOM 288 C MET C 35 124.782 -2.548 -2.380 1.00 0.00 C ATOM 289 O MET C 35 123.977 -3.381 -2.780 1.00 0.00 O ATOM 290 CB MET C 35 124.561 -2.128 0.144 1.00 0.00 C ATOM 291 CG MET C 35 125.195 -3.529 0.128 1.00 0.00 C ATOM 292 SD MET C 35 125.180 -4.240 1.790 1.00 0.00 S ATOM 293 CE MET C 35 126.293 -3.052 2.568 1.00 0.00 C ATOM 0 H MET C 35 122.314 -1.880 -1.071 1.00 0.00 H new ATOM 0 HA MET C 35 125.008 -0.676 -1.390 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.191 -1.452 0.722 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.596 -2.174 0.648 1.00 0.00 H new ATOM 0 HG2 MET C 35 124.647 -4.176 -0.557 1.00 0.00 H new ATOM 0 HG3 MET C 35 126.219 -3.469 -0.240 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.759 -3.508 3.441 1.00 0.00 H new ATOM 0 HE2 MET C 35 127.065 -2.757 1.857 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.728 -2.172 2.876 1.00 0.00 H new ATOM 303 N VAL C 36 126.034 -2.445 -2.845 1.00 0.00 N ATOM 304 CA VAL C 36 126.561 -3.341 -3.889 1.00 0.00 C ATOM 305 C VAL C 36 127.858 -3.982 -3.390 1.00 0.00 C ATOM 306 O VAL C 36 128.797 -3.266 -3.025 1.00 0.00 O ATOM 307 CB VAL C 36 126.851 -2.550 -5.181 1.00 0.00 C ATOM 308 CG1 VAL C 36 127.153 -3.519 -6.331 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.651 -1.665 -5.557 1.00 0.00 C ATOM 0 H VAL C 36 126.704 -1.750 -2.516 1.00 0.00 H new ATOM 0 HA VAL C 36 125.819 -4.110 -4.105 1.00 0.00 H new ATOM 0 HB VAL C 36 127.717 -1.911 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.357 -2.953 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL C 36 128.023 -4.124 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.294 -4.170 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.876 -1.116 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.773 -2.291 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.452 -0.960 -4.750 1.00 0.00 H new ATOM 319 N GLY C 37 127.907 -5.324 -3.365 1.00 0.00 N ATOM 320 CA GLY C 37 129.095 -6.044 -2.890 1.00 0.00 C ATOM 321 C GLY C 37 129.478 -5.564 -1.498 1.00 0.00 C ATOM 322 O GLY C 37 130.655 -5.344 -1.206 1.00 0.00 O ATOM 0 H GLY C 37 127.142 -5.927 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.897 -7.116 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.925 -5.885 -3.579 1.00 0.00 H new ATOM 367 N GLY E 14 131.628 -1.670 0.519 1.00 0.00 N ATOM 368 CA GLY E 14 130.902 -1.916 -0.730 1.00 0.00 C ATOM 369 C GLY E 14 130.411 -0.612 -1.352 1.00 0.00 C ATOM 370 O GLY E 14 130.248 0.397 -0.658 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.552 -2.435 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.053 -2.571 -0.537 1.00 0.00 H new ATOM 374 N GLU E 15 130.154 -0.650 -2.663 1.00 0.00 N ATOM 375 CA GLU E 15 129.653 0.522 -3.381 1.00 0.00 C ATOM 376 C GLU E 15 128.182 0.714 -3.044 1.00 0.00 C ATOM 377 O GLU E 15 127.382 -0.194 -3.256 1.00 0.00 O ATOM 378 CB GLU E 15 129.828 0.318 -4.899 1.00 0.00 C ATOM 379 CG GLU E 15 129.272 1.529 -5.676 1.00 0.00 C ATOM 380 CD GLU E 15 129.389 1.298 -7.188 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.508 1.204 -7.673 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.357 1.226 -7.842 1.00 0.00 O ATOM 0 H GLU E 15 130.285 -1.477 -3.245 1.00 0.00 H new ATOM 0 HA GLU E 15 130.214 1.408 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.884 0.182 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.312 -0.590 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.229 1.693 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.819 2.430 -5.397 1.00 0.00 H new ATOM 389 N ILE E 16 127.836 1.893 -2.520 1.00 0.00 N ATOM 390 CA ILE E 16 126.450 2.182 -2.150 1.00 0.00 C ATOM 391 C ILE E 16 125.826 3.169 -3.140 1.00 0.00 C ATOM 392 O ILE E 16 126.384 4.231 -3.427 1.00 0.00 O ATOM 393 CB ILE E 16 126.385 2.707 -0.704 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.114 1.692 0.233 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.912 2.873 -0.298 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.456 1.595 1.624 1.00 0.00 C ATOM 0 H ILE E 16 128.490 2.656 -2.344 1.00 0.00 H new ATOM 0 HA ILE E 16 125.869 1.261 -2.196 1.00 0.00 H new ATOM 0 HB ILE E 16 126.878 3.676 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.115 0.707 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.156 1.992 0.347 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.856 3.245 0.725 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.427 3.583 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.406 1.910 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.002 0.876 2.235 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.479 2.572 2.106 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.422 1.268 1.515 1.00 0.00 H new ATOM 408 N VAL E 17 124.673 2.759 -3.676 1.00 0.00 N ATOM 409 CA VAL E 17 123.920 3.520 -4.680 1.00 0.00 C ATOM 410 C VAL E 17 122.644 4.139 -4.095 1.00 0.00 C ATOM 411 O VAL E 17 122.002 3.555 -3.225 1.00 0.00 O ATOM 412 CB VAL E 17 123.542 2.561 -5.827 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.545 3.224 -6.792 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.806 2.152 -6.593 1.00 0.00 C ATOM 0 H VAL E 17 124.229 1.877 -3.422 1.00 0.00 H new ATOM 0 HA VAL E 17 124.546 4.338 -5.037 1.00 0.00 H new ATOM 0 HB VAL E 17 123.069 1.678 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.294 2.527 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.639 3.495 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.994 4.121 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.537 1.474 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.284 3.040 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.496 1.651 -5.915 1.00 0.00 H new ATOM 424 N TYR E 18 122.281 5.315 -4.621 1.00 0.00 N ATOM 425 CA TYR E 18 121.065 6.024 -4.207 1.00 0.00 C ATOM 426 C TYR E 18 120.229 6.362 -5.441 1.00 0.00 C ATOM 427 O TYR E 18 120.743 6.955 -6.392 1.00 0.00 O ATOM 428 CB TYR E 18 121.436 7.299 -3.442 1.00 0.00 C ATOM 429 CG TYR E 18 121.877 6.912 -2.060 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.206 6.560 -1.818 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.945 6.895 -1.022 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.602 6.191 -0.533 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.337 6.530 0.259 1.00 0.00 C ATOM 434 CZ TYR E 18 122.669 6.176 0.511 1.00 0.00 C ATOM 435 OH TYR E 18 123.062 5.813 1.783 1.00 0.00 O ATOM 0 H TYR E 18 122.818 5.799 -5.341 1.00 0.00 H new ATOM 0 HA TYR E 18 120.478 5.386 -3.546 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.234 7.833 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.581 7.974 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.925 6.573 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR E 18 119.918 7.166 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.629 5.917 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.615 6.519 1.062 1.00 0.00 H new ATOM 0 HH TYR E 18 122.577 6.352 2.442 1.00 0.00 H new ATOM 445 N LEU E 19 118.943 5.968 -5.423 1.00 0.00 N ATOM 446 CA LEU E 19 118.042 6.221 -6.560 1.00 0.00 C ATOM 447 C LEU E 19 116.777 7.001 -6.134 1.00 0.00 C ATOM 448 O LEU E 19 115.659 6.632 -6.512 1.00 0.00 O ATOM 449 CB LEU E 19 117.620 4.879 -7.199 1.00 0.00 C ATOM 450 CG LEU E 19 118.841 4.100 -7.730 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.434 2.655 -8.066 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.410 4.780 -8.986 1.00 0.00 C ATOM 0 H LEU E 19 118.508 5.478 -4.641 1.00 0.00 H new ATOM 0 HA LEU E 19 118.587 6.830 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.092 4.273 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.923 5.066 -8.016 1.00 0.00 H new ATOM 0 HG LEU E 19 119.609 4.091 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.301 2.111 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.058 2.165 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.655 2.664 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.271 4.217 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.645 4.810 -9.762 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.718 5.796 -8.741 1.00 0.00 H new ATOM 464 N PRO E 20 116.912 8.085 -5.391 1.00 0.00 N ATOM 465 CA PRO E 20 115.732 8.904 -4.972 1.00 0.00 C ATOM 466 C PRO E 20 115.051 9.541 -6.178 1.00 0.00 C ATOM 467 O PRO E 20 113.909 10.000 -6.092 1.00 0.00 O ATOM 468 CB PRO E 20 116.318 9.976 -4.046 1.00 0.00 C ATOM 469 CG PRO E 20 117.774 10.039 -4.372 1.00 0.00 C ATOM 470 CD PRO E 20 118.173 8.652 -4.875 1.00 0.00 C ATOM 0 HA PRO E 20 114.968 8.303 -4.479 1.00 0.00 H new ATOM 0 HB2 PRO E 20 115.838 10.941 -4.211 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.162 9.717 -2.999 1.00 0.00 H new ATOM 0 HG2 PRO E 20 117.968 10.796 -5.131 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.356 10.314 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO E 20 118.932 8.713 -5.655 1.00 0.00 H new ATOM 0 HD3 PRO E 20 118.588 8.040 -4.074 1.00 0.00 H new ATOM 478 N ASN E 21 115.780 9.574 -7.297 1.00 0.00 N ATOM 479 CA ASN E 21 115.281 10.165 -8.534 1.00 0.00 C ATOM 480 C ASN E 21 114.403 9.182 -9.309 1.00 0.00 C ATOM 481 O ASN E 21 113.816 9.556 -10.327 1.00 0.00 O ATOM 482 CB ASN E 21 116.471 10.584 -9.410 1.00 0.00 C ATOM 483 CG ASN E 21 117.334 11.632 -8.698 1.00 0.00 C ATOM 484 OD1 ASN E 21 116.875 12.310 -7.776 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.568 11.811 -9.079 1.00 0.00 N ATOM 0 H ASN E 21 116.724 9.194 -7.368 1.00 0.00 H new ATOM 0 HA ASN E 21 114.674 11.033 -8.277 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.077 9.710 -9.649 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.107 10.988 -10.355 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.149 12.509 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN E 21 118.953 11.253 -9.841 1.00 0.00 H new ATOM 492 N LEU E 22 114.316 7.933 -8.830 1.00 0.00 N ATOM 493 CA LEU E 22 113.505 6.916 -9.498 1.00 0.00 C ATOM 494 C LEU E 22 112.138 6.806 -8.842 1.00 0.00 C ATOM 495 O LEU E 22 112.024 6.769 -7.614 1.00 0.00 O ATOM 496 CB LEU E 22 114.228 5.561 -9.464 1.00 0.00 C ATOM 497 CG LEU E 22 115.163 5.427 -10.683 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.159 6.601 -10.739 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.928 4.095 -10.593 1.00 0.00 C ATOM 0 H LEU E 22 114.794 7.609 -7.990 1.00 0.00 H new ATOM 0 HA LEU E 22 113.361 7.212 -10.537 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.804 5.471 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.499 4.751 -9.465 1.00 0.00 H new ATOM 0 HG LEU E 22 114.562 5.446 -11.592 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.809 6.486 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.611 7.540 -10.818 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.763 6.609 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.590 3.997 -11.453 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.518 4.076 -9.677 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.218 3.268 -10.585 1.00 0.00 H new ATOM 511 N ASN E 23 111.106 6.749 -9.680 1.00 0.00 N ATOM 512 CA ASN E 23 109.727 6.637 -9.194 1.00 0.00 C ATOM 513 C ASN E 23 109.521 5.265 -8.548 1.00 0.00 C ATOM 514 O ASN E 23 110.281 4.334 -8.830 1.00 0.00 O ATOM 515 CB ASN E 23 108.727 6.815 -10.353 1.00 0.00 C ATOM 516 CG ASN E 23 109.255 7.824 -11.371 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.916 7.443 -12.335 1.00 0.00 O ATOM 518 ND2 ASN E 23 109.010 9.094 -11.209 1.00 0.00 N ATOM 0 H ASN E 23 111.194 6.778 -10.696 1.00 0.00 H new ATOM 0 HA ASN E 23 109.552 7.421 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN E 23 108.553 5.856 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN E 23 107.767 7.153 -9.963 1.00 0.00 H new ATOM 0 HD21 ASN E 23 109.367 9.772 -11.882 1.00 0.00 H new ATOM 0 HD22 ASN E 23 108.462 9.410 -10.409 1.00 0.00 H new ATOM 525 N PRO E 24 108.511 5.099 -7.707 1.00 0.00 N ATOM 526 CA PRO E 24 108.237 3.780 -7.053 1.00 0.00 C ATOM 527 C PRO E 24 108.130 2.670 -8.096 1.00 0.00 C ATOM 528 O PRO E 24 108.525 1.529 -7.847 1.00 0.00 O ATOM 529 CB PRO E 24 106.903 3.994 -6.323 1.00 0.00 C ATOM 530 CG PRO E 24 106.788 5.470 -6.127 1.00 0.00 C ATOM 531 CD PRO E 24 107.536 6.127 -7.289 1.00 0.00 C ATOM 0 HA PRO E 24 109.032 3.471 -6.375 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.069 3.610 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.890 3.469 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.743 5.779 -6.116 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.219 5.768 -5.171 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.860 6.391 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.033 7.046 -6.977 1.00 0.00 H new ATOM 539 N ASP E 25 107.623 3.037 -9.275 1.00 0.00 N ATOM 540 CA ASP E 25 107.492 2.099 -10.386 1.00 0.00 C ATOM 541 C ASP E 25 108.878 1.668 -10.856 1.00 0.00 C ATOM 542 O ASP E 25 109.147 0.477 -11.028 1.00 0.00 O ATOM 543 CB ASP E 25 106.753 2.771 -11.550 1.00 0.00 C ATOM 544 CG ASP E 25 105.343 3.189 -11.120 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.544 2.311 -10.835 1.00 0.00 O ATOM 546 OD2 ASP E 25 105.084 4.383 -11.078 1.00 0.00 O ATOM 0 H ASP E 25 107.296 3.981 -9.483 1.00 0.00 H new ATOM 0 HA ASP E 25 106.928 1.228 -10.052 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.311 3.645 -11.887 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.694 2.085 -12.395 1.00 0.00 H new ATOM 551 N GLN E 26 109.749 2.661 -11.061 1.00 0.00 N ATOM 552 CA GLN E 26 111.111 2.417 -11.509 1.00 0.00 C ATOM 553 C GLN E 26 111.882 1.593 -10.475 1.00 0.00 C ATOM 554 O GLN E 26 112.593 0.650 -10.835 1.00 0.00 O ATOM 555 CB GLN E 26 111.810 3.764 -11.745 1.00 0.00 C ATOM 556 CG GLN E 26 111.132 4.519 -12.901 1.00 0.00 C ATOM 557 CD GLN E 26 111.290 3.745 -14.209 1.00 0.00 C ATOM 558 OE1 GLN E 26 112.477 3.368 -14.587 1.00 0.00 O flip ATOM 559 NE2 GLN E 26 110.307 3.478 -14.900 1.00 0.00 N flip ATOM 0 H GLN E 26 109.526 3.646 -10.921 1.00 0.00 H new ATOM 0 HA GLN E 26 111.086 1.849 -12.439 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.773 4.365 -10.837 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.863 3.600 -11.976 1.00 0.00 H new ATOM 0 HG2 GLN E 26 110.074 4.660 -12.680 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.572 5.511 -13.003 1.00 0.00 H new ATOM 0 HE21 GLN E 26 109.378 3.775 -14.601 1.00 0.00 H new ATOM 0 HE22 GLN E 26 110.422 2.960 -15.771 1.00 0.00 H new ATOM 568 N LEU E 27 111.728 1.942 -9.189 1.00 0.00 N ATOM 569 CA LEU E 27 112.411 1.205 -8.123 1.00 0.00 C ATOM 570 C LEU E 27 111.875 -0.224 -8.044 1.00 0.00 C ATOM 571 O LEU E 27 112.650 -1.170 -7.909 1.00 0.00 O ATOM 572 CB LEU E 27 112.234 1.904 -6.763 1.00 0.00 C ATOM 573 CG LEU E 27 112.913 3.288 -6.769 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.654 4.001 -5.433 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.435 3.143 -6.967 1.00 0.00 C ATOM 0 H LEU E 27 111.147 2.716 -8.869 1.00 0.00 H new ATOM 0 HA LEU E 27 113.475 1.180 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.173 2.015 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.662 1.287 -5.973 1.00 0.00 H new ATOM 0 HG LEU E 27 112.496 3.870 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.136 4.979 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.581 4.127 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.061 3.404 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.897 4.130 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.853 2.548 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.633 2.648 -7.918 1.00 0.00 H new ATOM 587 N CYS E 28 110.548 -0.374 -8.142 1.00 0.00 N ATOM 588 CA CYS E 28 109.928 -1.700 -8.091 1.00 0.00 C ATOM 589 C CYS E 28 110.376 -2.532 -9.291 1.00 0.00 C ATOM 590 O CYS E 28 110.630 -3.730 -9.162 1.00 0.00 O ATOM 591 CB CYS E 28 108.398 -1.580 -8.076 1.00 0.00 C ATOM 592 SG CYS E 28 107.856 -1.031 -6.437 1.00 0.00 S ATOM 0 H CYS E 28 109.891 0.398 -8.256 1.00 0.00 H new ATOM 0 HA CYS E 28 110.245 -2.196 -7.174 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.070 -0.871 -8.836 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.944 -2.541 -8.319 1.00 0.00 H new ATOM 597 N ALA E 29 110.487 -1.877 -10.452 1.00 0.00 N ATOM 598 CA ALA E 29 110.925 -2.550 -11.677 1.00 0.00 C ATOM 599 C ALA E 29 112.357 -3.044 -11.504 1.00 0.00 C ATOM 600 O ALA E 29 112.692 -4.175 -11.871 1.00 0.00 O ATOM 601 CB ALA E 29 110.860 -1.577 -12.863 1.00 0.00 C ATOM 0 H ALA E 29 110.280 -0.885 -10.568 1.00 0.00 H new ATOM 0 HA ALA E 29 110.267 -3.397 -11.872 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.187 -2.086 -13.770 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.835 -1.229 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.511 -0.724 -12.670 1.00 0.00 H new ATOM 607 N PHE E 30 113.184 -2.172 -10.933 1.00 0.00 N ATOM 608 CA PHE E 30 114.587 -2.472 -10.684 1.00 0.00 C ATOM 609 C PHE E 30 114.719 -3.589 -9.642 1.00 0.00 C ATOM 610 O PHE E 30 115.380 -4.597 -9.883 1.00 0.00 O ATOM 611 CB PHE E 30 115.267 -1.183 -10.190 1.00 0.00 C ATOM 612 CG PHE E 30 116.744 -1.397 -9.940 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.587 -1.769 -10.992 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.269 -1.205 -8.655 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.953 -1.952 -10.757 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.637 -1.382 -8.426 1.00 0.00 C ATOM 617 CZ PHE E 30 119.478 -1.756 -9.476 1.00 0.00 C ATOM 0 H PHE E 30 112.899 -1.240 -10.631 1.00 0.00 H new ATOM 0 HA PHE E 30 115.067 -2.819 -11.599 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.133 -0.393 -10.929 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.786 -0.846 -9.272 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.184 -1.915 -11.983 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.617 -0.920 -7.842 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.604 -2.245 -11.567 1.00 0.00 H new ATOM 0 HE2 PHE E 30 119.043 -1.229 -7.437 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.534 -1.894 -9.299 1.00 0.00 H new ATOM 627 N ILE E 31 114.077 -3.388 -8.495 1.00 0.00 N ATOM 628 CA ILE E 31 114.104 -4.358 -7.399 1.00 0.00 C ATOM 629 C ILE E 31 113.606 -5.725 -7.852 1.00 0.00 C ATOM 630 O ILE E 31 114.167 -6.750 -7.459 1.00 0.00 O ATOM 631 CB ILE E 31 113.269 -3.792 -6.232 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.132 -2.783 -5.482 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.824 -4.872 -5.240 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.267 -1.959 -4.523 1.00 0.00 C ATOM 0 H ILE E 31 113.525 -2.553 -8.297 1.00 0.00 H new ATOM 0 HA ILE E 31 115.130 -4.511 -7.064 1.00 0.00 H new ATOM 0 HB ILE E 31 112.370 -3.341 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.912 -3.303 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.632 -2.123 -6.191 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.241 -4.414 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.213 -5.612 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.701 -5.359 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.894 -1.242 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.504 -1.425 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.787 -2.623 -3.804 1.00 0.00 H new ATOM 646 N HIS E 32 112.574 -5.737 -8.691 1.00 0.00 N ATOM 647 CA HIS E 32 112.038 -6.992 -9.200 1.00 0.00 C ATOM 648 C HIS E 32 113.084 -7.646 -10.098 1.00 0.00 C ATOM 649 O HIS E 32 113.316 -8.853 -10.027 1.00 0.00 O ATOM 650 CB HIS E 32 110.742 -6.733 -9.984 1.00 0.00 C ATOM 651 CG HIS E 32 110.004 -8.026 -10.201 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.581 -9.104 -10.847 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.733 -8.427 -9.865 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.669 -10.094 -10.882 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.525 -9.733 -10.296 1.00 0.00 N ATOM 0 H HIS E 32 112.098 -4.901 -9.029 1.00 0.00 H new ATOM 0 HA HIS E 32 111.805 -7.659 -8.370 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.111 -6.032 -9.438 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.974 -6.272 -10.944 1.00 0.00 H new ATOM 0 HD2 HIS E 32 108.006 -7.820 -9.345 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.842 -11.062 -11.329 1.00 0.00 H new ATOM 0 HE2 HIS E 32 107.680 -10.294 -10.188 1.00 0.00 H new ATOM 664 N SER E 33 113.708 -6.819 -10.940 1.00 0.00 N ATOM 665 CA SER E 33 114.734 -7.279 -11.873 1.00 0.00 C ATOM 666 C SER E 33 115.974 -7.825 -11.154 1.00 0.00 C ATOM 667 O SER E 33 116.491 -8.881 -11.534 1.00 0.00 O ATOM 668 CB SER E 33 115.126 -6.119 -12.789 1.00 0.00 C ATOM 669 OG SER E 33 114.034 -5.807 -13.645 1.00 0.00 O ATOM 0 H SER E 33 113.517 -5.819 -10.993 1.00 0.00 H new ATOM 0 HA SER E 33 114.318 -8.101 -12.456 1.00 0.00 H new ATOM 0 HB2 SER E 33 115.398 -5.247 -12.194 1.00 0.00 H new ATOM 0 HB3 SER E 33 116.002 -6.387 -13.380 1.00 0.00 H new ATOM 0 HG SER E 33 113.413 -5.210 -13.178 1.00 0.00 H new ATOM 675 N LEU E 34 116.450 -7.113 -10.117 1.00 0.00 N ATOM 676 CA LEU E 34 117.634 -7.558 -9.357 1.00 0.00 C ATOM 677 C LEU E 34 117.391 -8.934 -8.753 1.00 0.00 C ATOM 678 O LEU E 34 118.261 -9.810 -8.777 1.00 0.00 O ATOM 679 CB LEU E 34 117.931 -6.598 -8.192 1.00 0.00 C ATOM 680 CG LEU E 34 118.373 -5.217 -8.692 1.00 0.00 C ATOM 681 CD1 LEU E 34 118.603 -4.291 -7.483 1.00 0.00 C ATOM 682 CD2 LEU E 34 119.675 -5.349 -9.501 1.00 0.00 C ATOM 0 H LEU E 34 116.040 -6.239 -9.788 1.00 0.00 H new ATOM 0 HA LEU E 34 118.472 -7.582 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.041 -6.492 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU E 34 118.711 -7.023 -7.560 1.00 0.00 H new ATOM 0 HG LEU E 34 117.598 -4.796 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU E 34 118.917 -3.308 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU E 34 117.677 -4.196 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.378 -4.714 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.985 -4.366 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU E 34 120.456 -5.770 -8.868 1.00 0.00 H new ATOM 0 HD23 LEU E 34 119.508 -6.005 -10.355 1.00 0.00 H new ATOM 694 N HIS E 35 116.200 -9.083 -8.190 1.00 0.00 N ATOM 695 CA HIS E 35 115.800 -10.314 -7.534 1.00 0.00 C ATOM 696 C HIS E 35 115.636 -11.468 -8.535 1.00 0.00 C ATOM 697 O HIS E 35 115.950 -12.616 -8.208 1.00 0.00 O ATOM 698 CB HIS E 35 114.503 -10.055 -6.750 1.00 0.00 C ATOM 699 CG HIS E 35 114.681 -10.533 -5.333 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.240 -9.727 -4.355 1.00 0.00 N ATOM 701 CD2 HIS E 35 114.406 -11.732 -4.721 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.285 -10.442 -3.217 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.788 -11.673 -3.384 1.00 0.00 N ATOM 0 H HIS E 35 115.487 -8.354 -8.177 1.00 0.00 H new ATOM 0 HA HIS E 35 116.585 -10.623 -6.843 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.263 -8.992 -6.761 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.669 -10.575 -7.221 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.961 -12.590 -5.204 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.675 -10.068 -2.282 1.00 0.00 H new ATOM 0 HE2 HIS E 35 114.707 -12.409 -2.683 1.00 0.00 H new ATOM 712 N ASP E 36 115.152 -11.165 -9.749 1.00 0.00 N ATOM 713 CA ASP E 36 114.969 -12.199 -10.777 1.00 0.00 C ATOM 714 C ASP E 36 116.303 -12.841 -11.166 1.00 0.00 C ATOM 715 O ASP E 36 116.377 -14.058 -11.359 1.00 0.00 O ATOM 716 CB ASP E 36 114.322 -11.591 -12.034 1.00 0.00 C ATOM 717 CG ASP E 36 112.898 -11.087 -11.755 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.339 -11.435 -10.725 1.00 0.00 O ATOM 719 OD2 ASP E 36 112.388 -10.352 -12.585 1.00 0.00 O ATOM 0 H ASP E 36 114.884 -10.225 -10.040 1.00 0.00 H new ATOM 0 HA ASP E 36 114.319 -12.967 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.935 -10.766 -12.396 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.294 -12.339 -12.827 1.00 0.00 H new ATOM 724 N ASP E 37 117.346 -12.012 -11.295 1.00 0.00 N ATOM 725 CA ASP E 37 118.674 -12.501 -11.680 1.00 0.00 C ATOM 726 C ASP E 37 119.781 -11.687 -10.984 1.00 0.00 C ATOM 727 O ASP E 37 120.368 -10.784 -11.592 1.00 0.00 O ATOM 728 CB ASP E 37 118.829 -12.418 -13.209 1.00 0.00 C ATOM 729 CG ASP E 37 117.750 -13.261 -13.893 1.00 0.00 C ATOM 730 OD1 ASP E 37 117.891 -14.473 -13.904 1.00 0.00 O ATOM 731 OD2 ASP E 37 116.795 -12.683 -14.390 1.00 0.00 O ATOM 0 H ASP E 37 117.296 -11.005 -11.139 1.00 0.00 H new ATOM 0 HA ASP E 37 118.772 -13.539 -11.364 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.752 -11.381 -13.534 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.818 -12.771 -13.502 1.00 0.00 H new ATOM 736 N PRO E 38 120.082 -11.982 -9.728 1.00 0.00 N ATOM 737 CA PRO E 38 121.141 -11.247 -8.967 1.00 0.00 C ATOM 738 C PRO E 38 122.498 -11.293 -9.675 1.00 0.00 C ATOM 739 O PRO E 38 123.337 -10.414 -9.478 1.00 0.00 O ATOM 740 CB PRO E 38 121.190 -11.951 -7.602 1.00 0.00 C ATOM 741 CG PRO E 38 120.478 -13.252 -7.785 1.00 0.00 C ATOM 742 CD PRO E 38 119.463 -13.036 -8.902 1.00 0.00 C ATOM 0 HA PRO E 38 120.913 -10.185 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.220 -12.111 -7.282 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.708 -11.347 -6.834 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.179 -14.045 -8.046 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.982 -13.556 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.295 -13.948 -9.474 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.495 -12.723 -8.510 1.00 0.00 H new ATOM 750 N SER E 39 122.696 -12.317 -10.509 1.00 0.00 N ATOM 751 CA SER E 39 123.950 -12.463 -11.254 1.00 0.00 C ATOM 752 C SER E 39 124.151 -11.277 -12.201 1.00 0.00 C ATOM 753 O SER E 39 125.274 -10.808 -12.397 1.00 0.00 O ATOM 754 CB SER E 39 123.926 -13.768 -12.056 1.00 0.00 C ATOM 755 OG SER E 39 122.816 -13.762 -12.946 1.00 0.00 O ATOM 0 H SER E 39 122.011 -13.052 -10.685 1.00 0.00 H new ATOM 0 HA SER E 39 124.778 -12.488 -10.545 1.00 0.00 H new ATOM 0 HB2 SER E 39 124.854 -13.879 -12.617 1.00 0.00 H new ATOM 0 HB3 SER E 39 123.858 -14.621 -11.380 1.00 0.00 H new ATOM 0 HG SER E 39 122.804 -14.597 -13.459 1.00 0.00 H new ATOM 761 N GLN E 40 123.041 -10.805 -12.774 1.00 0.00 N ATOM 762 CA GLN E 40 123.052 -9.673 -13.700 1.00 0.00 C ATOM 763 C GLN E 40 122.827 -8.344 -12.959 1.00 0.00 C ATOM 764 O GLN E 40 122.630 -7.304 -13.595 1.00 0.00 O ATOM 765 CB GLN E 40 121.939 -9.877 -14.743 1.00 0.00 C ATOM 766 CG GLN E 40 122.461 -10.706 -15.922 1.00 0.00 C ATOM 767 CD GLN E 40 122.577 -12.176 -15.533 1.00 0.00 C ATOM 768 OE1 GLN E 40 123.681 -12.684 -15.336 1.00 0.00 O ATOM 769 NE2 GLN E 40 121.497 -12.897 -15.411 1.00 0.00 N ATOM 0 H GLN E 40 122.113 -11.196 -12.609 1.00 0.00 H new ATOM 0 HA GLN E 40 124.027 -9.626 -14.186 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.089 -10.381 -14.284 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.583 -8.910 -15.099 1.00 0.00 H new ATOM 0 HG2 GLN E 40 121.789 -10.601 -16.773 1.00 0.00 H new ATOM 0 HG3 GLN E 40 123.434 -10.329 -16.236 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.582 -12.477 -15.574 1.00 0.00 H new ATOM 0 HE22 GLN E 40 121.567 -13.881 -15.152 1.00 0.00 H new ATOM 778 N SER E 41 122.841 -8.385 -11.618 1.00 0.00 N ATOM 779 CA SER E 41 122.612 -7.178 -10.809 1.00 0.00 C ATOM 780 C SER E 41 123.565 -6.041 -11.185 1.00 0.00 C ATOM 781 O SER E 41 123.167 -4.875 -11.173 1.00 0.00 O ATOM 782 CB SER E 41 122.776 -7.499 -9.322 1.00 0.00 C ATOM 783 OG SER E 41 124.117 -7.904 -9.066 1.00 0.00 O ATOM 0 H SER E 41 123.007 -9.232 -11.075 1.00 0.00 H new ATOM 0 HA SER E 41 121.593 -6.847 -11.012 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.529 -6.624 -8.721 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.085 -8.290 -9.032 1.00 0.00 H new ATOM 0 HG SER E 41 124.188 -8.877 -9.159 1.00 0.00 H new ATOM 789 N ALA E 42 124.813 -6.381 -11.512 1.00 0.00 N ATOM 790 CA ALA E 42 125.801 -5.366 -11.881 1.00 0.00 C ATOM 791 C ALA E 42 125.387 -4.644 -13.163 1.00 0.00 C ATOM 792 O ALA E 42 125.405 -3.410 -13.220 1.00 0.00 O ATOM 793 CB ALA E 42 127.173 -6.017 -12.075 1.00 0.00 C ATOM 0 H ALA E 42 125.161 -7.340 -11.529 1.00 0.00 H new ATOM 0 HA ALA E 42 125.857 -4.635 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.902 -5.255 -12.349 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.482 -6.497 -11.147 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.113 -6.763 -12.867 1.00 0.00 H new ATOM 799 N ASN E 43 125.005 -5.418 -14.185 1.00 0.00 N ATOM 800 CA ASN E 43 124.580 -4.838 -15.457 1.00 0.00 C ATOM 801 C ASN E 43 123.276 -4.068 -15.288 1.00 0.00 C ATOM 802 O ASN E 43 123.161 -2.932 -15.748 1.00 0.00 O ATOM 803 CB ASN E 43 124.390 -5.937 -16.507 1.00 0.00 C ATOM 804 CG ASN E 43 125.746 -6.452 -16.973 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.095 -7.608 -16.733 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.535 -5.654 -17.635 1.00 0.00 N ATOM 0 H ASN E 43 124.982 -6.437 -14.154 1.00 0.00 H new ATOM 0 HA ASN E 43 125.357 -4.151 -15.791 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.806 -6.756 -16.087 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.828 -5.547 -17.356 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.444 -5.987 -17.956 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.243 -4.697 -17.832 1.00 0.00 H new ATOM 813 N LEU E 44 122.303 -4.701 -14.619 1.00 0.00 N ATOM 814 CA LEU E 44 120.995 -4.080 -14.379 1.00 0.00 C ATOM 815 C LEU E 44 121.155 -2.768 -13.611 1.00 0.00 C ATOM 816 O LEU E 44 120.503 -1.764 -13.925 1.00 0.00 O ATOM 817 CB LEU E 44 120.103 -5.043 -13.578 1.00 0.00 C ATOM 818 CG LEU E 44 119.780 -6.295 -14.419 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.210 -7.395 -13.513 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.748 -5.943 -15.504 1.00 0.00 C ATOM 0 H LEU E 44 122.397 -5.641 -14.235 1.00 0.00 H new ATOM 0 HA LEU E 44 120.530 -3.866 -15.341 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.607 -5.335 -12.657 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.179 -4.541 -13.291 1.00 0.00 H new ATOM 0 HG LEU E 44 120.695 -6.651 -14.892 1.00 0.00 H new ATOM 0 HD11 LEU E 44 118.983 -8.278 -14.111 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.943 -7.653 -12.749 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.298 -7.037 -13.035 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.524 -6.831 -16.095 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.834 -5.580 -15.033 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.154 -5.168 -16.154 1.00 0.00 H new ATOM 832 N LEU E 45 122.040 -2.788 -12.616 1.00 0.00 N ATOM 833 CA LEU E 45 122.303 -1.601 -11.813 1.00 0.00 C ATOM 834 C LEU E 45 122.906 -0.499 -12.676 1.00 0.00 C ATOM 835 O LEU E 45 122.629 0.678 -12.453 1.00 0.00 O ATOM 836 CB LEU E 45 123.212 -1.948 -10.631 1.00 0.00 C ATOM 837 CG LEU E 45 123.640 -0.679 -9.868 1.00 0.00 C ATOM 838 CD1 LEU E 45 122.423 0.216 -9.505 1.00 0.00 C ATOM 839 CD2 LEU E 45 124.379 -1.098 -8.583 1.00 0.00 C ATOM 0 H LEU E 45 122.583 -3.609 -12.350 1.00 0.00 H new ATOM 0 HA LEU E 45 121.360 -1.230 -11.411 1.00 0.00 H new ATOM 0 HB2 LEU E 45 122.691 -2.625 -9.954 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.096 -2.475 -10.990 1.00 0.00 H new ATOM 0 HG LEU E 45 124.295 -0.094 -10.513 1.00 0.00 H new ATOM 0 HD11 LEU E 45 122.768 1.100 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU E 45 121.912 0.523 -10.418 1.00 0.00 H new ATOM 0 HD13 LEU E 45 121.734 -0.345 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU E 45 124.687 -0.208 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.715 -1.697 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU E 45 125.259 -1.686 -8.845 1.00 0.00 H new ATOM 851 N ALA E 46 123.704 -0.880 -13.677 1.00 0.00 N ATOM 852 CA ALA E 46 124.294 0.109 -14.581 1.00 0.00 C ATOM 853 C ALA E 46 123.167 0.889 -15.257 1.00 0.00 C ATOM 854 O ALA E 46 123.271 2.098 -15.478 1.00 0.00 O ATOM 855 CB ALA E 46 125.155 -0.591 -15.640 1.00 0.00 C ATOM 0 H ALA E 46 123.953 -1.848 -13.880 1.00 0.00 H new ATOM 0 HA ALA E 46 124.929 0.791 -14.016 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.589 0.154 -16.307 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.953 -1.148 -15.150 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.535 -1.277 -16.217 1.00 0.00 H new ATOM 861 N GLU E 47 122.081 0.168 -15.546 1.00 0.00 N ATOM 862 CA GLU E 47 120.895 0.753 -16.170 1.00 0.00 C ATOM 863 C GLU E 47 120.180 1.648 -15.181 1.00 0.00 C ATOM 864 O GLU E 47 119.675 2.711 -15.547 1.00 0.00 O ATOM 865 CB GLU E 47 119.913 -0.342 -16.601 1.00 0.00 C ATOM 866 CG GLU E 47 120.683 -1.542 -17.142 1.00 0.00 C ATOM 867 CD GLU E 47 119.752 -2.516 -17.878 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.712 -2.856 -17.330 1.00 0.00 O ATOM 869 OE2 GLU E 47 120.103 -2.921 -18.975 1.00 0.00 O ATOM 0 H GLU E 47 122.000 -0.831 -15.355 1.00 0.00 H new ATOM 0 HA GLU E 47 121.224 1.322 -17.039 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.297 -0.645 -15.754 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.237 0.043 -17.365 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.464 -1.200 -17.820 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.178 -2.060 -16.320 1.00 0.00 H new ATOM 876 N ALA E 48 120.132 1.203 -13.922 1.00 0.00 N ATOM 877 CA ALA E 48 119.463 1.971 -12.899 1.00 0.00 C ATOM 878 C ALA E 48 120.266 3.224 -12.601 1.00 0.00 C ATOM 879 O ALA E 48 119.699 4.275 -12.300 1.00 0.00 O ATOM 880 CB ALA E 48 119.247 1.148 -11.635 1.00 0.00 C ATOM 0 H ALA E 48 120.545 0.327 -13.602 1.00 0.00 H new ATOM 0 HA ALA E 48 118.477 2.257 -13.267 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.741 1.757 -10.886 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.635 0.277 -11.868 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.211 0.820 -11.245 1.00 0.00 H new ATOM 886 N LYS E 49 121.596 3.111 -12.720 1.00 0.00 N ATOM 887 CA LYS E 49 122.464 4.257 -12.498 1.00 0.00 C ATOM 888 C LYS E 49 122.216 5.265 -13.614 1.00 0.00 C ATOM 889 O LYS E 49 122.111 6.468 -13.373 1.00 0.00 O ATOM 890 CB LYS E 49 123.945 3.842 -12.463 1.00 0.00 C ATOM 891 CG LYS E 49 124.577 4.267 -11.124 1.00 0.00 C ATOM 892 CD LYS E 49 124.244 3.230 -10.050 1.00 0.00 C ATOM 893 CE LYS E 49 125.317 2.137 -10.016 1.00 0.00 C ATOM 894 NZ LYS E 49 126.638 2.722 -9.637 1.00 0.00 N ATOM 0 H LYS E 49 122.081 2.248 -12.965 1.00 0.00 H new ATOM 0 HA LYS E 49 122.236 4.702 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS E 49 124.032 2.763 -12.590 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.481 4.305 -13.291 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.658 4.359 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.202 5.247 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.177 3.714 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.269 2.786 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS E 49 125.036 1.363 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.390 1.658 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.134 2.072 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.212 2.867 -10.492 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 126.490 3.635 -9.161 1.00 0.00 H new ATOM 908 N LYS E 50 122.060 4.741 -14.841 1.00 0.00 N ATOM 909 CA LYS E 50 121.747 5.577 -15.995 1.00 0.00 C ATOM 910 C LYS E 50 120.366 6.203 -15.780 1.00 0.00 C ATOM 911 O LYS E 50 120.135 7.353 -16.146 1.00 0.00 O ATOM 912 CB LYS E 50 121.780 4.732 -17.277 1.00 0.00 C ATOM 913 CG LYS E 50 123.246 4.417 -17.649 1.00 0.00 C ATOM 914 CD LYS E 50 123.339 3.110 -18.459 1.00 0.00 C ATOM 915 CE LYS E 50 122.518 3.203 -19.750 1.00 0.00 C ATOM 916 NZ LYS E 50 123.078 4.269 -20.630 1.00 0.00 N ATOM 0 H LYS E 50 122.146 3.747 -15.051 1.00 0.00 H new ATOM 0 HA LYS E 50 122.486 6.371 -16.102 1.00 0.00 H new ATOM 0 HB2 LYS E 50 121.224 3.806 -17.129 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.294 5.269 -18.092 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.663 5.240 -18.230 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.845 4.331 -16.742 1.00 0.00 H new ATOM 0 HD2 LYS E 50 124.381 2.902 -18.701 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.979 2.277 -17.855 1.00 0.00 H new ATOM 0 HE2 LYS E 50 122.532 2.245 -20.270 1.00 0.00 H new ATOM 0 HE3 LYS E 50 121.477 3.423 -19.514 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 122.668 4.184 -21.582 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 122.846 5.203 -20.235 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 124.111 4.164 -20.688 1.00 0.00 H new ATOM 930 N LEU E 51 119.478 5.437 -15.122 1.00 0.00 N ATOM 931 CA LEU E 51 118.137 5.917 -14.779 1.00 0.00 C ATOM 932 C LEU E 51 118.269 7.046 -13.764 1.00 0.00 C ATOM 933 O LEU E 51 117.538 8.037 -13.822 1.00 0.00 O ATOM 934 CB LEU E 51 117.310 4.779 -14.151 1.00 0.00 C ATOM 935 CG LEU E 51 116.204 4.239 -15.081 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.953 5.132 -14.994 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.685 4.139 -16.542 1.00 0.00 C ATOM 0 H LEU E 51 119.670 4.482 -14.819 1.00 0.00 H new ATOM 0 HA LEU E 51 117.637 6.267 -15.682 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.978 3.961 -13.880 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.855 5.138 -13.228 1.00 0.00 H new ATOM 0 HG LEU E 51 115.952 3.233 -14.746 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.180 4.740 -15.655 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.583 5.141 -13.969 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.209 6.147 -15.297 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.878 3.755 -17.165 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.979 5.127 -16.897 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.539 3.464 -16.598 1.00 0.00 H new ATOM 949 N ASN E 52 119.224 6.876 -12.832 1.00 0.00 N ATOM 950 CA ASN E 52 119.485 7.876 -11.795 1.00 0.00 C ATOM 951 C ASN E 52 119.767 9.221 -12.463 1.00 0.00 C ATOM 952 O ASN E 52 119.288 10.269 -12.016 1.00 0.00 O ATOM 953 CB ASN E 52 120.688 7.436 -10.927 1.00 0.00 C ATOM 954 CG ASN E 52 120.753 8.280 -9.653 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.805 8.303 -8.869 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.825 8.980 -9.400 1.00 0.00 N ATOM 0 H ASN E 52 119.825 6.053 -12.780 1.00 0.00 H new ATOM 0 HA ASN E 52 118.615 7.973 -11.146 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.594 6.381 -10.669 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.614 7.545 -11.492 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.877 9.546 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.611 8.961 -10.049 1.00 0.00 H new ATOM 963 N ASP E 53 120.518 9.156 -13.567 1.00 0.00 N ATOM 964 CA ASP E 53 120.848 10.337 -14.360 1.00 0.00 C ATOM 965 C ASP E 53 119.675 10.702 -15.284 1.00 0.00 C ATOM 966 O ASP E 53 119.452 11.874 -15.595 1.00 0.00 O ATOM 967 CB ASP E 53 122.101 10.063 -15.202 1.00 0.00 C ATOM 968 CG ASP E 53 122.538 11.340 -15.923 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.236 12.134 -15.312 1.00 0.00 O ATOM 970 OD2 ASP E 53 122.168 11.507 -17.074 1.00 0.00 O ATOM 0 H ASP E 53 120.910 8.288 -13.931 1.00 0.00 H new ATOM 0 HA ASP E 53 121.040 11.171 -13.685 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.907 9.703 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.896 9.277 -15.929 1.00 0.00 H new ATOM 975 N ALA E 54 118.947 9.670 -15.733 1.00 0.00 N ATOM 976 CA ALA E 54 117.804 9.844 -16.641 1.00 0.00 C ATOM 977 C ALA E 54 116.654 10.600 -15.975 1.00 0.00 C ATOM 978 O ALA E 54 115.885 11.283 -16.657 1.00 0.00 O ATOM 979 CB ALA E 54 117.292 8.469 -17.107 1.00 0.00 C ATOM 0 H ALA E 54 119.131 8.699 -15.480 1.00 0.00 H new ATOM 0 HA ALA E 54 118.152 10.430 -17.492 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.445 8.605 -17.780 1.00 0.00 H new ATOM 0 HB2 ALA E 54 118.090 7.942 -17.630 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.978 7.885 -16.242 1.00 0.00 H new ATOM 985 N GLN E 55 116.530 10.454 -14.652 1.00 0.00 N ATOM 986 CA GLN E 55 115.454 11.107 -13.895 1.00 0.00 C ATOM 987 C GLN E 55 116.023 12.075 -12.862 1.00 0.00 C ATOM 988 O GLN E 55 115.299 12.591 -12.005 1.00 0.00 O ATOM 989 CB GLN E 55 114.577 10.046 -13.220 1.00 0.00 C ATOM 990 CG GLN E 55 114.018 9.109 -14.303 1.00 0.00 C ATOM 991 CD GLN E 55 112.908 8.203 -13.756 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.346 7.403 -14.503 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.548 8.278 -12.504 1.00 0.00 N ATOM 0 H GLN E 55 117.160 9.890 -14.082 1.00 0.00 H new ATOM 0 HA GLN E 55 114.841 11.684 -14.587 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.160 9.479 -12.494 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.762 10.521 -12.673 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.628 9.702 -15.130 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.824 8.494 -14.703 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.010 8.939 -11.879 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.805 7.676 -12.150 1.00 0.00 H new ATOM 1002 N ALA E 56 117.329 12.304 -12.964 1.00 0.00 N ATOM 1003 CA ALA E 56 118.047 13.184 -12.070 1.00 0.00 C ATOM 1004 C ALA E 56 117.468 14.601 -12.080 1.00 0.00 C ATOM 1005 O ALA E 56 116.716 14.978 -12.984 1.00 0.00 O ATOM 1006 CB ALA E 56 119.523 13.214 -12.479 1.00 0.00 C ATOM 0 H ALA E 56 117.917 11.876 -13.679 1.00 0.00 H new ATOM 0 HA ALA E 56 117.946 12.801 -11.054 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.073 13.876 -11.810 1.00 0.00 H new ATOM 0 HB2 ALA E 56 119.938 12.208 -12.417 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.610 13.579 -13.502 1.00 0.00 H new ATOM 1013 N GLY F 14 120.181 10.524 9.406 1.00 0.00 N ATOM 1014 CA GLY F 14 119.252 9.949 10.381 1.00 0.00 C ATOM 1015 C GLY F 14 119.408 8.444 10.465 1.00 0.00 C ATOM 1016 O GLY F 14 120.391 7.885 9.975 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.430 10.391 11.361 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.228 10.196 10.101 1.00 0.00 H new ATOM 1020 N GLU F 15 118.432 7.796 11.096 1.00 0.00 N ATOM 1021 CA GLU F 15 118.458 6.352 11.249 1.00 0.00 C ATOM 1022 C GLU F 15 118.346 5.690 9.892 1.00 0.00 C ATOM 1023 O GLU F 15 117.616 6.167 9.021 1.00 0.00 O ATOM 1024 CB GLU F 15 117.289 5.885 12.107 1.00 0.00 C ATOM 1025 CG GLU F 15 117.534 4.447 12.564 1.00 0.00 C ATOM 1026 CD GLU F 15 116.369 3.950 13.426 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.275 3.821 12.897 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.587 3.708 14.604 1.00 0.00 O ATOM 0 H GLU F 15 117.617 8.251 11.507 1.00 0.00 H new ATOM 0 HA GLU F 15 119.398 6.078 11.729 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.175 6.538 12.972 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.361 5.944 11.539 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.653 3.799 11.696 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.463 4.393 13.132 1.00 0.00 H new ATOM 1035 N ILE F 16 119.053 4.582 9.731 1.00 0.00 N ATOM 1036 CA ILE F 16 119.022 3.836 8.485 1.00 0.00 C ATOM 1037 C ILE F 16 118.465 2.437 8.725 1.00 0.00 C ATOM 1038 O ILE F 16 118.693 1.834 9.778 1.00 0.00 O ATOM 1039 CB ILE F 16 120.420 3.754 7.886 1.00 0.00 C ATOM 1040 CG1 ILE F 16 120.975 5.180 7.650 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.350 2.976 6.558 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.323 5.131 6.905 1.00 0.00 C ATOM 0 H ILE F 16 119.656 4.180 10.449 1.00 0.00 H new ATOM 0 HA ILE F 16 118.372 4.355 7.780 1.00 0.00 H new ATOM 0 HB ILE F 16 121.089 3.235 8.573 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.257 5.763 7.073 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.102 5.688 8.606 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.346 2.912 6.121 1.00 0.00 H new ATOM 0 HG22 ILE F 16 119.970 1.972 6.744 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.684 3.494 5.868 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.691 6.145 6.752 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.045 4.568 7.496 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.187 4.645 5.939 1.00 0.00 H new ATOM 1054 N VAL F 17 117.711 1.952 7.740 1.00 0.00 N ATOM 1055 CA VAL F 17 117.070 0.642 7.811 1.00 0.00 C ATOM 1056 C VAL F 17 117.417 -0.203 6.579 1.00 0.00 C ATOM 1057 O VAL F 17 117.122 0.194 5.450 1.00 0.00 O ATOM 1058 CB VAL F 17 115.555 0.892 7.893 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.753 -0.376 7.566 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.198 1.379 9.307 1.00 0.00 C ATOM 0 H VAL F 17 117.528 2.456 6.872 1.00 0.00 H new ATOM 0 HA VAL F 17 117.419 0.087 8.682 1.00 0.00 H new ATOM 0 HB VAL F 17 115.294 1.651 7.155 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.687 -0.160 7.634 1.00 0.00 H new ATOM 0 HG12 VAL F 17 114.992 -0.707 6.555 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.010 -1.162 8.276 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.125 1.558 9.370 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.483 0.620 10.036 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.733 2.305 9.519 1.00 0.00 H new ATOM 1070 N TYR F 18 118.022 -1.379 6.815 1.00 0.00 N ATOM 1071 CA TYR F 18 118.394 -2.297 5.729 1.00 0.00 C ATOM 1072 C TYR F 18 117.357 -3.405 5.596 1.00 0.00 C ATOM 1073 O TYR F 18 116.854 -3.921 6.599 1.00 0.00 O ATOM 1074 CB TYR F 18 119.795 -2.899 5.985 1.00 0.00 C ATOM 1075 CG TYR F 18 120.847 -2.021 5.329 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.906 -0.659 5.643 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.741 -2.556 4.384 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.846 0.163 5.021 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.685 -1.729 3.769 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.736 -0.369 4.085 1.00 0.00 C ATOM 1081 OH TYR F 18 123.662 0.449 3.471 1.00 0.00 O ATOM 0 H TYR F 18 118.263 -1.715 7.747 1.00 0.00 H new ATOM 0 HA TYR F 18 118.426 -1.735 4.796 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.982 -2.971 7.056 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.847 -3.911 5.583 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.222 -0.243 6.368 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.698 -3.606 4.134 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.886 1.215 5.264 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.376 -2.142 3.049 1.00 0.00 H new ATOM 0 HH TYR F 18 123.280 0.813 2.645 1.00 0.00 H new ATOM 1091 N LEU F 19 117.030 -3.743 4.342 1.00 0.00 N ATOM 1092 CA LEU F 19 116.026 -4.783 4.052 1.00 0.00 C ATOM 1093 C LEU F 19 116.649 -5.961 3.267 1.00 0.00 C ATOM 1094 O LEU F 19 116.446 -6.077 2.052 1.00 0.00 O ATOM 1095 CB LEU F 19 114.860 -4.184 3.217 1.00 0.00 C ATOM 1096 CG LEU F 19 113.963 -3.202 4.021 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.508 -3.809 5.362 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.701 -1.876 4.268 1.00 0.00 C ATOM 0 H LEU F 19 117.442 -3.315 3.513 1.00 0.00 H new ATOM 0 HA LEU F 19 115.651 -5.153 5.006 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.273 -3.663 2.353 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.243 -4.997 2.834 1.00 0.00 H new ATOM 0 HG LEU F 19 113.073 -3.011 3.421 1.00 0.00 H new ATOM 0 HD11 LEU F 19 112.883 -3.091 5.893 1.00 0.00 H new ATOM 0 HD12 LEU F 19 112.937 -4.718 5.175 1.00 0.00 H new ATOM 0 HD13 LEU F 19 114.382 -4.048 5.968 1.00 0.00 H new ATOM 0 HD21 LEU F 19 114.057 -1.201 4.832 1.00 0.00 H new ATOM 0 HD22 LEU F 19 115.612 -2.067 4.835 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.957 -1.419 3.312 1.00 0.00 H new ATOM 1110 N PRO F 20 117.386 -6.846 3.927 1.00 0.00 N ATOM 1111 CA PRO F 20 118.010 -8.027 3.266 1.00 0.00 C ATOM 1112 C PRO F 20 117.048 -9.218 3.206 1.00 0.00 C ATOM 1113 O PRO F 20 116.674 -9.674 2.123 1.00 0.00 O ATOM 1114 CB PRO F 20 119.220 -8.322 4.158 1.00 0.00 C ATOM 1115 CG PRO F 20 118.834 -7.856 5.529 1.00 0.00 C ATOM 1116 CD PRO F 20 117.712 -6.816 5.365 1.00 0.00 C ATOM 0 HA PRO F 20 118.280 -7.840 2.227 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.457 -9.386 4.158 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.107 -7.798 3.801 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.494 -8.694 6.137 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.691 -7.418 6.041 1.00 0.00 H new ATOM 0 HD2 PRO F 20 116.844 -7.069 5.974 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.041 -5.825 5.676 1.00 0.00 H new ATOM 1124 N ASN F 21 116.657 -9.709 4.383 1.00 0.00 N ATOM 1125 CA ASN F 21 115.739 -10.850 4.486 1.00 0.00 C ATOM 1126 C ASN F 21 114.384 -10.535 3.844 1.00 0.00 C ATOM 1127 O ASN F 21 113.679 -11.442 3.394 1.00 0.00 O ATOM 1128 CB ASN F 21 115.527 -11.225 5.963 1.00 0.00 C ATOM 1129 CG ASN F 21 116.833 -11.708 6.603 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.727 -12.208 5.917 1.00 0.00 O ATOM 1131 ND2 ASN F 21 116.995 -11.589 7.892 1.00 0.00 N ATOM 0 H ASN F 21 116.961 -9.335 5.282 1.00 0.00 H new ATOM 0 HA ASN F 21 116.189 -11.687 3.953 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.148 -10.362 6.510 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.771 -12.007 6.038 1.00 0.00 H new ATOM 0 HD21 ASN F 21 117.859 -11.909 8.329 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.257 -11.176 8.463 1.00 0.00 H new ATOM 1138 N LEU F 22 114.026 -9.246 3.830 1.00 0.00 N ATOM 1139 CA LEU F 22 112.749 -8.786 3.270 1.00 0.00 C ATOM 1140 C LEU F 22 112.557 -9.274 1.827 1.00 0.00 C ATOM 1141 O LEU F 22 113.529 -9.417 1.079 1.00 0.00 O ATOM 1142 CB LEU F 22 112.721 -7.248 3.295 1.00 0.00 C ATOM 1143 CG LEU F 22 111.291 -6.729 3.569 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.138 -6.333 5.057 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.020 -5.513 2.662 1.00 0.00 C ATOM 0 H LEU F 22 114.608 -8.497 4.204 1.00 0.00 H new ATOM 0 HA LEU F 22 111.940 -9.197 3.874 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.400 -6.880 4.064 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.078 -6.858 2.342 1.00 0.00 H new ATOM 0 HG LEU F 22 110.569 -7.516 3.352 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.126 -5.969 5.235 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.327 -7.203 5.686 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.853 -5.547 5.300 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.013 -5.138 2.847 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.745 -4.728 2.879 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.110 -5.811 1.617 1.00 0.00 H new ATOM 1157 N ASN F 23 111.295 -9.512 1.445 1.00 0.00 N ATOM 1158 CA ASN F 23 110.974 -9.967 0.089 1.00 0.00 C ATOM 1159 C ASN F 23 110.912 -8.764 -0.856 1.00 0.00 C ATOM 1160 O ASN F 23 110.618 -7.650 -0.415 1.00 0.00 O ATOM 1161 CB ASN F 23 109.625 -10.700 0.093 1.00 0.00 C ATOM 1162 CG ASN F 23 109.756 -12.032 0.829 1.00 0.00 C ATOM 1163 OD1 ASN F 23 110.113 -13.043 0.226 1.00 0.00 O ATOM 1164 ND2 ASN F 23 109.487 -12.094 2.103 1.00 0.00 N ATOM 0 H ASN F 23 110.485 -9.397 2.054 1.00 0.00 H new ATOM 0 HA ASN F 23 111.749 -10.652 -0.255 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.867 -10.082 0.575 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.292 -10.872 -0.931 1.00 0.00 H new ATOM 0 HD21 ASN F 23 109.573 -12.981 2.600 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.191 -11.256 2.603 1.00 0.00 H new ATOM 1171 N PRO F 24 111.178 -8.946 -2.137 1.00 0.00 N ATOM 1172 CA PRO F 24 111.140 -7.817 -3.113 1.00 0.00 C ATOM 1173 C PRO F 24 109.731 -7.254 -3.243 1.00 0.00 C ATOM 1174 O PRO F 24 109.549 -6.041 -3.382 1.00 0.00 O ATOM 1175 CB PRO F 24 111.629 -8.435 -4.428 1.00 0.00 C ATOM 1176 CG PRO F 24 111.372 -9.899 -4.285 1.00 0.00 C ATOM 1177 CD PRO F 24 111.531 -10.218 -2.797 1.00 0.00 C ATOM 0 HA PRO F 24 111.759 -6.975 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO F 24 111.093 -8.022 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.688 -8.234 -4.589 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.371 -10.154 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.075 -10.478 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.872 -11.029 -2.487 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.549 -10.526 -2.558 1.00 0.00 H new ATOM 1185 N ASP F 25 108.733 -8.142 -3.154 1.00 0.00 N ATOM 1186 CA ASP F 25 107.337 -7.718 -3.213 1.00 0.00 C ATOM 1187 C ASP F 25 107.077 -6.780 -2.039 1.00 0.00 C ATOM 1188 O ASP F 25 106.392 -5.760 -2.173 1.00 0.00 O ATOM 1189 CB ASP F 25 106.403 -8.936 -3.131 1.00 0.00 C ATOM 1190 CG ASP F 25 106.630 -9.865 -4.329 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.344 -9.448 -5.441 1.00 0.00 O ATOM 1192 OD2 ASP F 25 107.089 -10.977 -4.116 1.00 0.00 O ATOM 0 H ASP F 25 108.868 -9.147 -3.042 1.00 0.00 H new ATOM 0 HA ASP F 25 107.143 -7.207 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.583 -9.478 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.365 -8.605 -3.111 1.00 0.00 H new ATOM 1197 N GLN F 26 107.671 -7.134 -0.892 1.00 0.00 N ATOM 1198 CA GLN F 26 107.561 -6.337 0.312 1.00 0.00 C ATOM 1199 C GLN F 26 108.283 -4.999 0.113 1.00 0.00 C ATOM 1200 O GLN F 26 107.790 -3.955 0.546 1.00 0.00 O ATOM 1201 CB GLN F 26 108.163 -7.113 1.486 1.00 0.00 C ATOM 1202 CG GLN F 26 107.718 -6.487 2.809 1.00 0.00 C ATOM 1203 CD GLN F 26 106.225 -6.733 3.037 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.458 -5.787 3.211 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.767 -7.955 3.046 1.00 0.00 N ATOM 0 H GLN F 26 108.235 -7.977 -0.784 1.00 0.00 H new ATOM 0 HA GLN F 26 106.513 -6.131 0.529 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.848 -8.156 1.443 1.00 0.00 H new ATOM 0 HB3 GLN F 26 109.251 -7.106 1.418 1.00 0.00 H new ATOM 0 HG2 GLN F 26 108.293 -6.912 3.632 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.920 -5.416 2.798 1.00 0.00 H new ATOM 0 HE21 GLN F 26 106.403 -8.739 2.902 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.773 -8.126 3.197 1.00 0.00 H new ATOM 1214 N LEU F 27 109.446 -5.042 -0.566 1.00 0.00 N ATOM 1215 CA LEU F 27 110.219 -3.822 -0.842 1.00 0.00 C ATOM 1216 C LEU F 27 109.390 -2.857 -1.688 1.00 0.00 C ATOM 1217 O LEU F 27 109.374 -1.655 -1.429 1.00 0.00 O ATOM 1218 CB LEU F 27 111.523 -4.145 -1.603 1.00 0.00 C ATOM 1219 CG LEU F 27 112.650 -4.550 -0.635 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.850 -5.078 -1.437 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.093 -3.327 0.187 1.00 0.00 C ATOM 0 H LEU F 27 109.864 -5.899 -0.928 1.00 0.00 H new ATOM 0 HA LEU F 27 110.469 -3.367 0.117 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.342 -4.953 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.833 -3.276 -2.182 1.00 0.00 H new ATOM 0 HG LEU F 27 112.283 -5.327 0.036 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.648 -5.365 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.544 -5.946 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.211 -4.298 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.891 -3.618 0.871 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.456 -2.549 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.246 -2.946 0.758 1.00 0.00 H new ATOM 1233 N CYS F 28 108.699 -3.394 -2.702 1.00 0.00 N ATOM 1234 CA CYS F 28 107.866 -2.564 -3.583 1.00 0.00 C ATOM 1235 C CYS F 28 106.776 -1.862 -2.775 1.00 0.00 C ATOM 1236 O CYS F 28 106.571 -0.652 -2.917 1.00 0.00 O ATOM 1237 CB CYS F 28 107.233 -3.427 -4.681 1.00 0.00 C ATOM 1238 SG CYS F 28 106.428 -2.360 -5.905 1.00 0.00 S ATOM 0 H CYS F 28 108.699 -4.388 -2.931 1.00 0.00 H new ATOM 0 HA CYS F 28 108.498 -1.809 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.996 -4.038 -5.163 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.505 -4.111 -4.245 1.00 0.00 H new ATOM 1243 N ALA F 29 106.105 -2.626 -1.910 1.00 0.00 N ATOM 1244 CA ALA F 29 105.057 -2.071 -1.055 1.00 0.00 C ATOM 1245 C ALA F 29 105.667 -1.047 -0.095 1.00 0.00 C ATOM 1246 O ALA F 29 105.070 -0.003 0.179 1.00 0.00 O ATOM 1247 CB ALA F 29 104.383 -3.193 -0.257 1.00 0.00 C ATOM 0 H ALA F 29 106.268 -3.625 -1.784 1.00 0.00 H new ATOM 0 HA ALA F 29 104.309 -1.581 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.604 -2.771 0.377 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.940 -3.913 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.125 -3.694 0.365 1.00 0.00 H new ATOM 1253 N PHE F 30 106.868 -1.364 0.398 1.00 0.00 N ATOM 1254 CA PHE F 30 107.589 -0.488 1.321 1.00 0.00 C ATOM 1255 C PHE F 30 107.894 0.856 0.653 1.00 0.00 C ATOM 1256 O PHE F 30 107.568 1.912 1.199 1.00 0.00 O ATOM 1257 CB PHE F 30 108.892 -1.187 1.761 1.00 0.00 C ATOM 1258 CG PHE F 30 109.773 -0.255 2.574 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.266 0.367 3.724 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.104 -0.016 2.178 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.079 1.221 4.471 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.911 0.839 2.932 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.398 1.457 4.077 1.00 0.00 C ATOM 0 H PHE F 30 107.362 -2.227 0.170 1.00 0.00 H new ATOM 0 HA PHE F 30 106.972 -0.292 2.198 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.651 -2.070 2.352 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.437 -1.531 0.882 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.247 0.185 4.032 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.499 -0.493 1.293 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.687 1.700 5.356 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.932 1.023 2.631 1.00 0.00 H new ATOM 0 HZ PHE F 30 112.023 2.118 4.658 1.00 0.00 H new ATOM 1273 N ILE F 31 108.514 0.803 -0.528 1.00 0.00 N ATOM 1274 CA ILE F 31 108.863 2.018 -1.268 1.00 0.00 C ATOM 1275 C ILE F 31 107.610 2.833 -1.590 1.00 0.00 C ATOM 1276 O ILE F 31 107.628 4.068 -1.498 1.00 0.00 O ATOM 1277 CB ILE F 31 109.644 1.651 -2.543 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.968 0.983 -2.127 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.952 2.916 -3.367 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.720 0.449 -3.349 1.00 0.00 C ATOM 0 H ILE F 31 108.784 -0.065 -0.991 1.00 0.00 H new ATOM 0 HA ILE F 31 109.505 2.642 -0.646 1.00 0.00 H new ATOM 0 HB ILE F 31 109.046 0.974 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.592 1.703 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.766 0.166 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.504 2.640 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.018 3.402 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.551 3.603 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.651 -0.018 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.103 -0.288 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.942 1.272 -4.028 1.00 0.00 H new ATOM 1292 N HIS F 32 106.518 2.142 -1.937 1.00 0.00 N ATOM 1293 CA HIS F 32 105.255 2.823 -2.231 1.00 0.00 C ATOM 1294 C HIS F 32 104.762 3.558 -0.986 1.00 0.00 C ATOM 1295 O HIS F 32 104.235 4.665 -1.082 1.00 0.00 O ATOM 1296 CB HIS F 32 104.185 1.822 -2.692 1.00 0.00 C ATOM 1297 CG HIS F 32 104.262 1.630 -4.184 1.00 0.00 C ATOM 1298 ND1 HIS F 32 105.039 0.642 -4.768 1.00 0.00 N ATOM 1299 CD2 HIS F 32 103.657 2.293 -5.225 1.00 0.00 C ATOM 1300 CE1 HIS F 32 104.881 0.735 -6.101 1.00 0.00 C ATOM 1301 NE2 HIS F 32 104.049 1.726 -6.433 1.00 0.00 N ATOM 0 H HIS F 32 106.484 1.126 -2.020 1.00 0.00 H new ATOM 0 HA HIS F 32 105.432 3.537 -3.035 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.328 0.867 -2.187 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.195 2.183 -2.415 1.00 0.00 H new ATOM 0 HD1 HIS F 32 105.624 -0.033 -4.276 1.00 0.00 H new ATOM 0 HD2 HIS F 32 102.980 3.128 -5.121 1.00 0.00 H new ATOM 0 HE1 HIS F 32 105.367 0.087 -6.815 1.00 0.00 H new ATOM 1310 N SER F 33 104.946 2.925 0.180 1.00 0.00 N ATOM 1311 CA SER F 33 104.528 3.523 1.447 1.00 0.00 C ATOM 1312 C SER F 33 105.367 4.769 1.758 1.00 0.00 C ATOM 1313 O SER F 33 104.824 5.789 2.191 1.00 0.00 O ATOM 1314 CB SER F 33 104.655 2.501 2.584 1.00 0.00 C ATOM 1315 OG SER F 33 103.946 1.317 2.237 1.00 0.00 O ATOM 0 H SER F 33 105.379 2.006 0.269 1.00 0.00 H new ATOM 0 HA SER F 33 103.484 3.823 1.359 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.705 2.270 2.764 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.257 2.918 3.509 1.00 0.00 H new ATOM 0 HG SER F 33 104.507 0.757 1.661 1.00 0.00 H new ATOM 1321 N LEU F 34 106.690 4.680 1.521 1.00 0.00 N ATOM 1322 CA LEU F 34 107.592 5.814 1.767 1.00 0.00 C ATOM 1323 C LEU F 34 107.172 7.009 0.911 1.00 0.00 C ATOM 1324 O LEU F 34 107.128 8.147 1.387 1.00 0.00 O ATOM 1325 CB LEU F 34 109.049 5.439 1.417 1.00 0.00 C ATOM 1326 CG LEU F 34 109.553 4.275 2.292 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.836 3.676 1.676 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.859 4.789 3.707 1.00 0.00 C ATOM 0 H LEU F 34 107.151 3.843 1.164 1.00 0.00 H new ATOM 0 HA LEU F 34 107.531 6.072 2.824 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.112 5.160 0.365 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.694 6.307 1.556 1.00 0.00 H new ATOM 0 HG LEU F 34 108.783 3.506 2.342 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.189 2.853 2.298 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.620 3.306 0.674 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.606 4.445 1.621 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.215 3.964 4.324 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.626 5.562 3.655 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.953 5.206 4.146 1.00 0.00 H new ATOM 1340 N HIS F 35 106.869 6.725 -0.358 1.00 0.00 N ATOM 1341 CA HIS F 35 106.452 7.758 -1.307 1.00 0.00 C ATOM 1342 C HIS F 35 105.067 8.310 -0.951 1.00 0.00 C ATOM 1343 O HIS F 35 104.855 9.526 -0.968 1.00 0.00 O ATOM 1344 CB HIS F 35 106.424 7.166 -2.723 1.00 0.00 C ATOM 1345 CG HIS F 35 106.191 8.259 -3.732 1.00 0.00 C ATOM 1346 ND1 HIS F 35 107.137 9.239 -3.991 1.00 0.00 N ATOM 1347 CD2 HIS F 35 105.126 8.541 -4.553 1.00 0.00 C ATOM 1348 CE1 HIS F 35 106.629 10.056 -4.933 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.405 9.675 -5.310 1.00 0.00 N ATOM 0 H HIS F 35 106.905 5.785 -0.752 1.00 0.00 H new ATOM 0 HA HIS F 35 107.167 8.579 -1.260 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.366 6.660 -2.933 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.636 6.417 -2.798 1.00 0.00 H new ATOM 0 HD2 HIS F 35 104.211 7.969 -4.603 1.00 0.00 H new ATOM 0 HE1 HIS F 35 107.147 10.914 -5.335 1.00 0.00 H new ATOM 0 HE2 HIS F 35 104.804 10.120 -6.004 1.00 0.00 H new ATOM 1358 N ASP F 36 104.129 7.402 -0.653 1.00 0.00 N ATOM 1359 CA ASP F 36 102.754 7.784 -0.315 1.00 0.00 C ATOM 1360 C ASP F 36 102.704 8.694 0.917 1.00 0.00 C ATOM 1361 O ASP F 36 101.955 9.675 0.932 1.00 0.00 O ATOM 1362 CB ASP F 36 101.914 6.525 -0.062 1.00 0.00 C ATOM 1363 CG ASP F 36 100.439 6.895 0.121 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.758 7.053 -0.880 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.013 7.017 1.259 1.00 0.00 O ATOM 0 H ASP F 36 104.299 6.396 -0.639 1.00 0.00 H new ATOM 0 HA ASP F 36 102.346 8.341 -1.159 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.021 5.834 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.279 6.009 0.826 1.00 0.00 H new ATOM 1370 N ASP F 37 103.495 8.358 1.944 1.00 0.00 N ATOM 1371 CA ASP F 37 103.529 9.147 3.182 1.00 0.00 C ATOM 1372 C ASP F 37 104.980 9.454 3.597 1.00 0.00 C ATOM 1373 O ASP F 37 105.603 8.677 4.331 1.00 0.00 O ATOM 1374 CB ASP F 37 102.797 8.396 4.309 1.00 0.00 C ATOM 1375 CG ASP F 37 102.340 9.374 5.404 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.138 10.204 5.816 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.196 9.273 5.819 1.00 0.00 O ATOM 0 H ASP F 37 104.117 7.550 1.943 1.00 0.00 H new ATOM 0 HA ASP F 37 103.020 10.094 3.000 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.934 7.869 3.901 1.00 0.00 H new ATOM 0 HB3 ASP F 37 103.457 7.642 4.739 1.00 0.00 H new ATOM 1382 N PRO F 38 105.532 10.560 3.142 1.00 0.00 N ATOM 1383 CA PRO F 38 106.936 10.946 3.481 1.00 0.00 C ATOM 1384 C PRO F 38 107.129 11.165 4.982 1.00 0.00 C ATOM 1385 O PRO F 38 108.121 10.715 5.557 1.00 0.00 O ATOM 1386 CB PRO F 38 107.176 12.246 2.697 1.00 0.00 C ATOM 1387 CG PRO F 38 105.825 12.761 2.319 1.00 0.00 C ATOM 1388 CD PRO F 38 104.887 11.557 2.268 1.00 0.00 C ATOM 0 HA PRO F 38 107.643 10.159 3.218 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.714 12.974 3.305 1.00 0.00 H new ATOM 0 HB3 PRO F 38 107.783 12.060 1.811 1.00 0.00 H new ATOM 0 HG2 PRO F 38 105.474 13.493 3.046 1.00 0.00 H new ATOM 0 HG3 PRO F 38 105.860 13.264 1.352 1.00 0.00 H new ATOM 0 HD2 PRO F 38 103.890 11.814 2.625 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.775 11.182 1.251 1.00 0.00 H new ATOM 1396 N SER F 39 106.181 11.868 5.608 1.00 0.00 N ATOM 1397 CA SER F 39 106.264 12.154 7.044 1.00 0.00 C ATOM 1398 C SER F 39 106.235 10.865 7.873 1.00 0.00 C ATOM 1399 O SER F 39 106.849 10.798 8.941 1.00 0.00 O ATOM 1400 CB SER F 39 105.104 13.066 7.465 1.00 0.00 C ATOM 1401 OG SER F 39 103.874 12.354 7.390 1.00 0.00 O ATOM 0 H SER F 39 105.353 12.247 5.148 1.00 0.00 H new ATOM 0 HA SER F 39 107.212 12.658 7.231 1.00 0.00 H new ATOM 0 HB2 SER F 39 105.264 13.426 8.481 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.066 13.943 6.818 1.00 0.00 H new ATOM 0 HG SER F 39 103.922 11.694 6.667 1.00 0.00 H new ATOM 1407 N GLN F 40 105.515 9.855 7.375 1.00 0.00 N ATOM 1408 CA GLN F 40 105.388 8.579 8.051 1.00 0.00 C ATOM 1409 C GLN F 40 106.476 7.605 7.581 1.00 0.00 C ATOM 1410 O GLN F 40 106.523 6.462 8.030 1.00 0.00 O ATOM 1411 CB GLN F 40 103.992 8.027 7.741 1.00 0.00 C ATOM 1412 CG GLN F 40 103.675 6.821 8.604 1.00 0.00 C ATOM 1413 CD GLN F 40 102.201 6.451 8.470 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.434 6.582 9.424 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.755 6.004 7.330 1.00 0.00 N ATOM 0 H GLN F 40 105.008 9.908 6.492 1.00 0.00 H new ATOM 0 HA GLN F 40 105.514 8.706 9.126 1.00 0.00 H new ATOM 0 HB2 GLN F 40 103.246 8.804 7.908 1.00 0.00 H new ATOM 0 HB3 GLN F 40 103.933 7.750 6.688 1.00 0.00 H new ATOM 0 HG2 GLN F 40 104.298 5.978 8.306 1.00 0.00 H new ATOM 0 HG3 GLN F 40 103.910 7.038 9.646 1.00 0.00 H new ATOM 0 HE21 GLN F 40 102.392 5.896 6.540 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.769 5.762 7.227 1.00 0.00 H new ATOM 1424 N SER F 41 107.357 8.067 6.675 1.00 0.00 N ATOM 1425 CA SER F 41 108.439 7.211 6.157 1.00 0.00 C ATOM 1426 C SER F 41 109.272 6.634 7.307 1.00 0.00 C ATOM 1427 O SER F 41 109.651 5.461 7.284 1.00 0.00 O ATOM 1428 CB SER F 41 109.341 8.007 5.206 1.00 0.00 C ATOM 1429 OG SER F 41 110.058 8.996 5.937 1.00 0.00 O ATOM 0 H SER F 41 107.342 9.012 6.292 1.00 0.00 H new ATOM 0 HA SER F 41 107.986 6.386 5.608 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.038 7.336 4.704 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.739 8.480 4.430 1.00 0.00 H new ATOM 0 HG SER F 41 109.535 9.825 5.966 1.00 0.00 H new ATOM 1435 N ALA F 42 109.520 7.466 8.317 1.00 0.00 N ATOM 1436 CA ALA F 42 110.276 7.048 9.497 1.00 0.00 C ATOM 1437 C ALA F 42 109.525 5.931 10.226 1.00 0.00 C ATOM 1438 O ALA F 42 110.122 4.930 10.630 1.00 0.00 O ATOM 1439 CB ALA F 42 110.478 8.241 10.440 1.00 0.00 C ATOM 0 H ALA F 42 109.207 8.437 8.342 1.00 0.00 H new ATOM 0 HA ALA F 42 111.251 6.677 9.181 1.00 0.00 H new ATOM 0 HB1 ALA F 42 111.042 7.921 11.316 1.00 0.00 H new ATOM 0 HB2 ALA F 42 111.028 9.026 9.921 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.507 8.625 10.754 1.00 0.00 H new ATOM 1445 N ASN F 43 108.205 6.106 10.368 1.00 0.00 N ATOM 1446 CA ASN F 43 107.370 5.099 11.022 1.00 0.00 C ATOM 1447 C ASN F 43 107.388 3.810 10.205 1.00 0.00 C ATOM 1448 O ASN F 43 107.455 2.709 10.761 1.00 0.00 O ATOM 1449 CB ASN F 43 105.931 5.610 11.157 1.00 0.00 C ATOM 1450 CG ASN F 43 105.884 6.781 12.134 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.539 7.899 11.753 1.00 0.00 O ATOM 1452 ND2 ASN F 43 106.207 6.586 13.382 1.00 0.00 N ATOM 0 H ASN F 43 107.699 6.929 10.041 1.00 0.00 H new ATOM 0 HA ASN F 43 107.766 4.902 12.018 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.554 5.923 10.183 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.282 4.807 11.507 1.00 0.00 H new ATOM 0 HD21 ASN F 43 106.174 7.361 14.044 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.493 5.659 13.696 1.00 0.00 H new ATOM 1459 N LEU F 44 107.355 3.965 8.878 1.00 0.00 N ATOM 1460 CA LEU F 44 107.394 2.820 7.971 1.00 0.00 C ATOM 1461 C LEU F 44 108.722 2.096 8.123 1.00 0.00 C ATOM 1462 O LEU F 44 108.784 0.875 7.999 1.00 0.00 O ATOM 1463 CB LEU F 44 107.223 3.275 6.519 1.00 0.00 C ATOM 1464 CG LEU F 44 105.797 3.800 6.293 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.755 4.616 4.996 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.822 2.615 6.191 1.00 0.00 C ATOM 0 H LEU F 44 107.302 4.871 8.412 1.00 0.00 H new ATOM 0 HA LEU F 44 106.575 2.147 8.224 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.947 4.056 6.287 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.424 2.443 5.843 1.00 0.00 H new ATOM 0 HG LEU F 44 105.505 4.434 7.130 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.744 4.989 4.834 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.444 5.457 5.073 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.047 3.983 4.158 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.811 2.989 6.031 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.110 1.978 5.355 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.853 2.038 7.115 1.00 0.00 H new ATOM 1478 N LEU F 45 109.778 2.865 8.401 1.00 0.00 N ATOM 1479 CA LEU F 45 111.107 2.293 8.589 1.00 0.00 C ATOM 1480 C LEU F 45 111.101 1.368 9.799 1.00 0.00 C ATOM 1481 O LEU F 45 111.710 0.302 9.772 1.00 0.00 O ATOM 1482 CB LEU F 45 112.149 3.409 8.789 1.00 0.00 C ATOM 1483 CG LEU F 45 113.048 3.514 7.549 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.257 4.141 6.386 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.277 4.389 7.854 1.00 0.00 C ATOM 0 H LEU F 45 109.736 3.879 8.500 1.00 0.00 H new ATOM 0 HA LEU F 45 111.373 1.723 7.699 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.647 4.360 8.966 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.754 3.199 9.671 1.00 0.00 H new ATOM 0 HG LEU F 45 113.380 2.513 7.273 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.898 4.214 5.508 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.394 3.517 6.155 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.918 5.137 6.672 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.906 4.455 6.966 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.950 5.388 8.142 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.847 3.944 8.670 1.00 0.00 H new ATOM 1497 N ALA F 46 110.397 1.787 10.852 1.00 0.00 N ATOM 1498 CA ALA F 46 110.300 0.994 12.074 1.00 0.00 C ATOM 1499 C ALA F 46 109.602 -0.337 11.792 1.00 0.00 C ATOM 1500 O ALA F 46 110.099 -1.394 12.185 1.00 0.00 O ATOM 1501 CB ALA F 46 109.519 1.774 13.140 1.00 0.00 C ATOM 0 H ALA F 46 109.887 2.670 10.881 1.00 0.00 H new ATOM 0 HA ALA F 46 111.307 0.791 12.440 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.450 1.177 14.050 1.00 0.00 H new ATOM 0 HB2 ALA F 46 110.035 2.709 13.358 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.516 1.990 12.771 1.00 0.00 H new ATOM 1507 N GLU F 47 108.451 -0.280 11.108 1.00 0.00 N ATOM 1508 CA GLU F 47 107.705 -1.498 10.782 1.00 0.00 C ATOM 1509 C GLU F 47 108.443 -2.337 9.745 1.00 0.00 C ATOM 1510 O GLU F 47 108.471 -3.554 9.855 1.00 0.00 O ATOM 1511 CB GLU F 47 106.322 -1.166 10.238 1.00 0.00 C ATOM 1512 CG GLU F 47 105.475 -0.504 11.326 1.00 0.00 C ATOM 1513 CD GLU F 47 104.068 -0.225 10.795 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.944 0.621 9.924 1.00 0.00 O ATOM 1515 OE2 GLU F 47 103.136 -0.859 11.266 1.00 0.00 O ATOM 0 H GLU F 47 108.023 0.584 10.775 1.00 0.00 H new ATOM 0 HA GLU F 47 107.608 -2.065 11.708 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.410 -0.500 9.379 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.833 -2.075 9.888 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.421 -1.152 12.201 1.00 0.00 H new ATOM 0 HG3 GLU F 47 105.943 0.427 11.647 1.00 0.00 H new ATOM 1522 N ALA F 48 109.033 -1.676 8.742 1.00 0.00 N ATOM 1523 CA ALA F 48 109.776 -2.367 7.688 1.00 0.00 C ATOM 1524 C ALA F 48 110.967 -3.083 8.306 1.00 0.00 C ATOM 1525 O ALA F 48 111.187 -4.273 8.069 1.00 0.00 O ATOM 1526 CB ALA F 48 110.256 -1.350 6.648 1.00 0.00 C ATOM 0 H ALA F 48 109.009 -0.661 8.640 1.00 0.00 H new ATOM 0 HA ALA F 48 109.131 -3.096 7.197 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.809 -1.866 5.863 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.396 -0.842 6.212 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.905 -0.617 7.128 1.00 0.00 H new ATOM 1532 N LYS F 49 111.700 -2.345 9.136 1.00 0.00 N ATOM 1533 CA LYS F 49 112.840 -2.890 9.847 1.00 0.00 C ATOM 1534 C LYS F 49 112.361 -3.985 10.804 1.00 0.00 C ATOM 1535 O LYS F 49 113.044 -4.991 11.006 1.00 0.00 O ATOM 1536 CB LYS F 49 113.522 -1.767 10.634 1.00 0.00 C ATOM 1537 CG LYS F 49 114.781 -2.294 11.338 1.00 0.00 C ATOM 1538 CD LYS F 49 115.049 -1.463 12.591 1.00 0.00 C ATOM 1539 CE LYS F 49 113.978 -1.745 13.655 1.00 0.00 C ATOM 1540 NZ LYS F 49 114.534 -1.452 15.009 1.00 0.00 N ATOM 0 H LYS F 49 111.518 -1.360 9.330 1.00 0.00 H new ATOM 0 HA LYS F 49 113.552 -3.319 9.141 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.788 -0.952 9.961 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.830 -1.358 11.370 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.649 -3.342 11.605 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.636 -2.242 10.664 1.00 0.00 H new ATOM 0 HD2 LYS F 49 116.037 -1.698 12.988 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.051 -0.403 12.339 1.00 0.00 H new ATOM 0 HE2 LYS F 49 113.097 -1.131 13.471 1.00 0.00 H new ATOM 0 HE3 LYS F 49 113.659 -2.786 13.598 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 113.810 -1.643 15.730 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 115.363 -2.056 15.182 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 114.818 -0.453 15.059 1.00 0.00 H new ATOM 1554 N LYS F 50 111.169 -3.788 11.378 1.00 0.00 N ATOM 1555 CA LYS F 50 110.608 -4.772 12.284 1.00 0.00 C ATOM 1556 C LYS F 50 110.234 -6.002 11.470 1.00 0.00 C ATOM 1557 O LYS F 50 110.378 -7.139 11.917 1.00 0.00 O ATOM 1558 CB LYS F 50 109.380 -4.179 13.005 1.00 0.00 C ATOM 1559 CG LYS F 50 108.745 -5.211 13.951 1.00 0.00 C ATOM 1560 CD LYS F 50 107.683 -4.534 14.835 1.00 0.00 C ATOM 1561 CE LYS F 50 106.442 -4.186 14.002 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.320 -3.823 14.914 1.00 0.00 N ATOM 0 H LYS F 50 110.587 -2.964 11.228 1.00 0.00 H new ATOM 0 HA LYS F 50 111.332 -5.053 13.049 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.677 -3.296 13.571 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.644 -3.853 12.270 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.289 -6.014 13.372 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.514 -5.665 14.576 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.405 -5.197 15.655 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.095 -3.629 15.282 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.662 -3.356 13.330 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.159 -5.034 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.478 -3.587 14.351 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.105 -4.627 15.538 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.593 -3.001 15.490 1.00 0.00 H new ATOM 1576 N LEU F 51 109.765 -5.741 10.252 1.00 0.00 N ATOM 1577 CA LEU F 51 109.371 -6.790 9.331 1.00 0.00 C ATOM 1578 C LEU F 51 110.587 -7.630 8.975 1.00 0.00 C ATOM 1579 O LEU F 51 110.508 -8.853 8.905 1.00 0.00 O ATOM 1580 CB LEU F 51 108.781 -6.163 8.067 1.00 0.00 C ATOM 1581 CG LEU F 51 107.844 -7.156 7.390 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.621 -7.388 8.292 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.409 -6.582 6.037 1.00 0.00 C ATOM 0 H LEU F 51 109.650 -4.798 9.882 1.00 0.00 H new ATOM 0 HA LEU F 51 108.619 -7.427 9.798 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.239 -5.252 8.320 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.581 -5.879 7.383 1.00 0.00 H new ATOM 0 HG LEU F 51 108.349 -8.108 7.229 1.00 0.00 H new ATOM 0 HD11 LEU F 51 105.946 -8.098 7.814 1.00 0.00 H new ATOM 0 HD12 LEU F 51 106.948 -7.788 9.252 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.101 -6.443 8.450 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.738 -7.284 5.543 1.00 0.00 H new ATOM 0 HD22 LEU F 51 106.893 -5.635 6.193 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.287 -6.418 5.412 1.00 0.00 H new ATOM 1595 N ASN F 52 111.722 -6.947 8.794 1.00 0.00 N ATOM 1596 CA ASN F 52 112.983 -7.616 8.496 1.00 0.00 C ATOM 1597 C ASN F 52 113.290 -8.597 9.630 1.00 0.00 C ATOM 1598 O ASN F 52 113.752 -9.712 9.387 1.00 0.00 O ATOM 1599 CB ASN F 52 114.089 -6.554 8.341 1.00 0.00 C ATOM 1600 CG ASN F 52 115.487 -7.165 8.404 1.00 0.00 C ATOM 1601 OD1 ASN F 52 115.718 -8.270 7.915 1.00 0.00 O ATOM 1602 ND2 ASN F 52 116.437 -6.491 8.984 1.00 0.00 N ATOM 0 H ASN F 52 111.789 -5.931 8.850 1.00 0.00 H new ATOM 0 HA ASN F 52 112.924 -8.176 7.563 1.00 0.00 H new ATOM 0 HB2 ASN F 52 113.963 -6.036 7.390 1.00 0.00 H new ATOM 0 HB3 ASN F 52 113.985 -5.806 9.127 1.00 0.00 H new ATOM 0 HD21 ASN F 52 117.379 -6.878 9.035 1.00 0.00 H new ATOM 0 HD22 ASN F 52 116.239 -5.575 9.388 1.00 0.00 H new ATOM 1609 N ASP F 53 112.979 -8.171 10.863 1.00 0.00 N ATOM 1610 CA ASP F 53 113.168 -9.013 12.045 1.00 0.00 C ATOM 1611 C ASP F 53 112.111 -10.126 12.080 1.00 0.00 C ATOM 1612 O ASP F 53 112.387 -11.248 12.511 1.00 0.00 O ATOM 1613 CB ASP F 53 113.072 -8.165 13.319 1.00 0.00 C ATOM 1614 CG ASP F 53 113.418 -9.016 14.541 1.00 0.00 C ATOM 1615 OD1 ASP F 53 114.596 -9.156 14.829 1.00 0.00 O ATOM 1616 OD2 ASP F 53 112.500 -9.519 15.172 1.00 0.00 O ATOM 0 H ASP F 53 112.596 -7.247 11.064 1.00 0.00 H new ATOM 0 HA ASP F 53 114.158 -9.467 11.993 1.00 0.00 H new ATOM 0 HB2 ASP F 53 113.752 -7.316 13.253 1.00 0.00 H new ATOM 0 HB3 ASP F 53 112.065 -7.760 13.421 1.00 0.00 H new ATOM 1621 N ALA F 54 110.895 -9.788 11.628 1.00 0.00 N ATOM 1622 CA ALA F 54 109.773 -10.735 11.604 1.00 0.00 C ATOM 1623 C ALA F 54 109.966 -11.817 10.535 1.00 0.00 C ATOM 1624 O ALA F 54 109.584 -12.972 10.740 1.00 0.00 O ATOM 1625 CB ALA F 54 108.467 -9.980 11.332 1.00 0.00 C ATOM 0 H ALA F 54 110.664 -8.860 11.272 1.00 0.00 H new ATOM 0 HA ALA F 54 109.730 -11.224 12.577 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.636 -10.685 11.315 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.302 -9.244 12.119 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.533 -9.474 10.369 1.00 0.00 H new ATOM 1631 N GLN F 55 110.552 -11.427 9.396 1.00 0.00 N ATOM 1632 CA GLN F 55 110.790 -12.356 8.282 1.00 0.00 C ATOM 1633 C GLN F 55 112.190 -12.961 8.374 1.00 0.00 C ATOM 1634 O GLN F 55 112.567 -13.815 7.567 1.00 0.00 O ATOM 1635 CB GLN F 55 110.631 -11.623 6.942 1.00 0.00 C ATOM 1636 CG GLN F 55 109.197 -11.090 6.819 1.00 0.00 C ATOM 1637 CD GLN F 55 108.959 -10.525 5.420 1.00 0.00 C ATOM 1638 OE1 GLN F 55 108.468 -11.229 4.540 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.283 -9.290 5.160 1.00 0.00 N ATOM 0 H GLN F 55 110.871 -10.474 9.221 1.00 0.00 H new ATOM 0 HA GLN F 55 110.057 -13.160 8.343 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.343 -10.800 6.878 1.00 0.00 H new ATOM 0 HB3 GLN F 55 110.851 -12.300 6.116 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.486 -11.891 7.021 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.025 -10.315 7.566 1.00 0.00 H new ATOM 0 HE21 GLN F 55 109.690 -8.705 5.890 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.129 -8.908 4.227 1.00 0.00 H new ATOM 1648 N ALA F 56 112.947 -12.495 9.364 1.00 0.00 N ATOM 1649 CA ALA F 56 114.307 -12.949 9.596 1.00 0.00 C ATOM 1650 C ALA F 56 114.350 -14.435 9.975 1.00 0.00 C ATOM 1651 O ALA F 56 113.310 -15.069 10.174 1.00 0.00 O ATOM 1652 CB ALA F 56 114.927 -12.101 10.716 1.00 0.00 C ATOM 0 H ALA F 56 112.629 -11.789 10.028 1.00 0.00 H new ATOM 0 HA ALA F 56 114.877 -12.832 8.674 1.00 0.00 H new ATOM 0 HB1 ALA F 56 115.949 -12.432 10.900 1.00 0.00 H new ATOM 0 HB2 ALA F 56 114.933 -11.053 10.418 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.339 -12.215 11.627 1.00 0.00 H new