USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 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: A 41 ASN : amide:sc= -1.46 K(o=-1.5,f=-11!) USER MOD Set 1.2: A 43 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= -1.07 K(o=-1.1,f=-10!) USER MOD Set 2.2: A 19 SER OG : rot -160:sc=-0.00806 USER MOD Single : A 2 SER OG : rot 29:sc= 0.159 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 9 SER OG : rot -97:sc= -1.44! USER MOD Single : A 10 ASN : amide:sc= -0.0798 K(o=-0.08,f=-1.7) USER MOD Single : A 16 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -2.45 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0909 X(o=-0.091,f=0) USER MOD Single : A 33 SER OG : rot -51:sc= 0.00932 USER MOD Single : A 36 GLN : amide:sc= -0.0871 X(o=-0.087,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 10:sc= 0.915 USER MOD Single : A 49 THR OG1 : rot -78:sc= -0.342 USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.103) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 257 SER OG : rot 31:sc= 0.313 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= -0.096 X(o=-0.096,f=-0.36) USER MOD Single : B 262 SER OG : rot 86:sc= 0.783 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.278 -1.889 -0.943 1.00 0.00 N ATOM 45 CA SER A 2 123.529 -0.782 0.029 1.00 0.00 C ATOM 46 C SER A 2 122.347 0.190 0.031 1.00 0.00 C ATOM 47 O SER A 2 121.536 0.191 -0.876 1.00 0.00 O ATOM 48 CB SER A 2 124.794 -0.090 -0.478 1.00 0.00 C ATOM 49 OG SER A 2 125.872 -1.017 -0.467 1.00 0.00 O ATOM 0 HA SER A 2 123.646 -1.144 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.635 0.289 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.030 0.768 0.151 1.00 0.00 H new ATOM 0 HG SER A 2 125.524 -1.924 -0.594 1.00 0.00 H new ATOM 55 N VAL A 3 122.247 1.018 1.043 1.00 0.00 N ATOM 56 CA VAL A 3 121.116 2.002 1.110 1.00 0.00 C ATOM 57 C VAL A 3 121.252 3.041 -0.016 1.00 0.00 C ATOM 58 O VAL A 3 120.271 3.595 -0.472 1.00 0.00 O ATOM 59 CB VAL A 3 121.231 2.669 2.489 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.121 3.715 2.665 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.093 1.607 3.587 1.00 0.00 C ATOM 0 H VAL A 3 122.899 1.056 1.827 1.00 0.00 H new ATOM 0 HA VAL A 3 120.146 1.522 0.982 1.00 0.00 H new ATOM 0 HB VAL A 3 122.203 3.157 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.213 4.181 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.213 4.477 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.148 3.230 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.175 2.082 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.122 1.119 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.884 0.865 3.477 1.00 0.00 H new ATOM 71 N ALA A 4 122.461 3.309 -0.463 1.00 0.00 N ATOM 72 CA ALA A 4 122.664 4.310 -1.567 1.00 0.00 C ATOM 73 C ALA A 4 121.821 3.931 -2.791 1.00 0.00 C ATOM 74 O ALA A 4 121.385 4.784 -3.543 1.00 0.00 O ATOM 75 CB ALA A 4 124.155 4.240 -1.908 1.00 0.00 C ATOM 0 H ALA A 4 123.316 2.878 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 4 122.361 5.313 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.379 4.945 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.742 4.494 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.407 3.231 -2.233 1.00 0.00 H new ATOM 81 N ASP A 5 121.596 2.655 -2.988 1.00 0.00 N ATOM 82 CA ASP A 5 120.683 2.205 -4.087 1.00 0.00 C ATOM 83 C ASP A 5 119.237 2.610 -3.772 1.00 0.00 C ATOM 84 O ASP A 5 118.453 2.876 -4.664 1.00 0.00 O ATOM 85 CB ASP A 5 120.815 0.680 -4.134 1.00 0.00 C ATOM 86 CG ASP A 5 122.203 0.299 -4.654 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.167 0.910 -4.221 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.280 -0.598 -5.477 1.00 0.00 O ATOM 0 H ASP A 5 122.006 1.903 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 5 120.943 2.659 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.661 0.261 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.045 0.258 -4.780 1.00 0.00 H new ATOM 93 N PHE A 6 118.885 2.654 -2.508 1.00 0.00 N ATOM 94 CA PHE A 6 117.493 3.043 -2.119 1.00 0.00 C ATOM 95 C PHE A 6 117.406 4.542 -1.771 1.00 0.00 C ATOM 96 O PHE A 6 116.398 5.000 -1.266 1.00 0.00 O ATOM 97 CB PHE A 6 117.174 2.191 -0.890 1.00 0.00 C ATOM 98 CG PHE A 6 117.111 0.710 -1.181 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.302 -0.056 -1.214 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.862 0.086 -1.419 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.244 -1.445 -1.485 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.804 -1.303 -1.691 1.00 0.00 C ATOM 103 CZ PHE A 6 116.995 -2.068 -1.723 1.00 0.00 C ATOM 0 H PHE A 6 119.505 2.436 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 6 116.789 2.878 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.931 2.371 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.219 2.512 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.255 0.419 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.953 0.669 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.152 -2.029 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.852 -1.778 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.951 -3.127 -1.929 1.00 0.00 H new ATOM 113 N TYR A 7 118.447 5.307 -2.031 1.00 0.00 N ATOM 114 CA TYR A 7 118.360 6.792 -1.827 1.00 0.00 C ATOM 115 C TYR A 7 117.382 7.407 -2.837 1.00 0.00 C ATOM 116 O TYR A 7 117.321 6.996 -3.981 1.00 0.00 O ATOM 117 CB TYR A 7 119.783 7.318 -2.091 1.00 0.00 C ATOM 118 CG TYR A 7 120.692 7.356 -0.870 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.385 6.604 0.296 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.868 8.147 -0.904 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.253 6.648 1.416 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.731 8.189 0.214 1.00 0.00 C ATOM 123 CZ TYR A 7 122.426 7.440 1.373 1.00 0.00 C ATOM 124 OH TYR A 7 123.275 7.481 2.459 1.00 0.00 O ATOM 0 H TYR A 7 119.346 4.968 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 7 118.004 7.047 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.249 6.694 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.711 8.324 -2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.491 5.999 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.105 8.720 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.019 6.077 2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.625 8.794 0.183 1.00 0.00 H new ATOM 0 HH TYR A 7 124.031 8.072 2.261 1.00 0.00 H new ATOM 134 N GLY A 8 116.620 8.387 -2.415 1.00 0.00 N ATOM 135 CA GLY A 8 115.589 8.992 -3.317 1.00 0.00 C ATOM 136 C GLY A 8 114.305 8.145 -3.318 1.00 0.00 C ATOM 137 O GLY A 8 113.349 8.477 -3.993 1.00 0.00 O ATOM 0 H GLY A 8 116.668 8.795 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.362 10.006 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 8 115.983 9.066 -4.331 1.00 0.00 H new ATOM 141 N SER A 9 114.269 7.057 -2.577 1.00 0.00 N ATOM 142 CA SER A 9 113.033 6.213 -2.538 1.00 0.00 C ATOM 143 C SER A 9 111.971 6.859 -1.643 1.00 0.00 C ATOM 144 O SER A 9 112.272 7.355 -0.571 1.00 0.00 O ATOM 145 CB SER A 9 113.479 4.872 -1.950 1.00 0.00 C ATOM 146 OG SER A 9 113.827 5.049 -0.583 1.00 0.00 O ATOM 0 H SER A 9 115.041 6.721 -2.001 1.00 0.00 H new ATOM 0 HA SER A 9 112.589 6.098 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 9 112.678 4.138 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.332 4.484 -2.507 1.00 0.00 H new ATOM 0 HG SER A 9 114.798 5.153 -0.503 1.00 0.00 H new ATOM 152 N ASN A 10 110.734 6.854 -2.075 1.00 0.00 N ATOM 153 CA ASN A 10 109.620 7.323 -1.191 1.00 0.00 C ATOM 154 C ASN A 10 109.172 6.177 -0.286 1.00 0.00 C ATOM 155 O ASN A 10 108.726 5.144 -0.754 1.00 0.00 O ATOM 156 CB ASN A 10 108.488 7.724 -2.140 1.00 0.00 C ATOM 157 CG ASN A 10 107.586 8.756 -1.456 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.378 8.704 -0.259 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.036 9.698 -2.173 1.00 0.00 N ATOM 0 H ASN A 10 110.446 6.545 -3.003 1.00 0.00 H new ATOM 0 HA ASN A 10 109.919 8.153 -0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.901 8.139 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.906 6.846 -2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.432 10.390 -1.729 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.210 9.742 -3.177 1.00 0.00 H new ATOM 166 N VAL A 11 109.287 6.356 1.002 1.00 0.00 N ATOM 167 CA VAL A 11 108.889 5.278 1.953 1.00 0.00 C ATOM 168 C VAL A 11 108.238 5.900 3.187 1.00 0.00 C ATOM 169 O VAL A 11 108.363 7.087 3.427 1.00 0.00 O ATOM 170 CB VAL A 11 110.190 4.538 2.321 1.00 0.00 C ATOM 171 CG1 VAL A 11 110.798 3.905 1.064 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.206 5.513 2.936 1.00 0.00 C ATOM 0 H VAL A 11 109.641 7.207 1.439 1.00 0.00 H new ATOM 0 HA VAL A 11 108.164 4.590 1.520 1.00 0.00 H new ATOM 0 HB VAL A 11 109.954 3.762 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.718 3.383 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.089 3.197 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.020 4.684 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.119 4.975 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.437 6.299 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.784 5.958 3.837 1.00 0.00 H new ATOM 182 N GLU A 12 107.548 5.110 3.967 1.00 0.00 N ATOM 183 CA GLU A 12 106.941 5.646 5.221 1.00 0.00 C ATOM 184 C GLU A 12 107.682 5.088 6.439 1.00 0.00 C ATOM 185 O GLU A 12 107.879 3.894 6.565 1.00 0.00 O ATOM 186 CB GLU A 12 105.491 5.150 5.196 1.00 0.00 C ATOM 187 CG GLU A 12 104.723 5.718 6.394 1.00 0.00 C ATOM 188 CD GLU A 12 103.304 5.148 6.407 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.557 5.448 5.490 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.988 4.420 7.333 1.00 0.00 O ATOM 0 H GLU A 12 107.379 4.120 3.791 1.00 0.00 H new ATOM 0 HA GLU A 12 106.999 6.733 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.009 5.455 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.470 4.061 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.236 5.465 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.689 6.806 6.335 1.00 0.00 H new ATOM 197 N VAL A 13 108.093 5.948 7.334 1.00 0.00 N ATOM 198 CA VAL A 13 108.819 5.485 8.554 1.00 0.00 C ATOM 199 C VAL A 13 107.902 5.594 9.777 1.00 0.00 C ATOM 200 O VAL A 13 107.324 6.634 10.036 1.00 0.00 O ATOM 201 CB VAL A 13 110.017 6.437 8.691 1.00 0.00 C ATOM 202 CG1 VAL A 13 110.865 6.031 9.899 1.00 0.00 C ATOM 203 CG2 VAL A 13 110.883 6.370 7.426 1.00 0.00 C ATOM 0 H VAL A 13 107.956 6.957 7.272 1.00 0.00 H new ATOM 0 HA VAL A 13 109.136 4.445 8.481 1.00 0.00 H new ATOM 0 HB VAL A 13 109.647 7.453 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.713 6.709 9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.258 6.082 10.803 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.228 5.012 9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.731 7.047 7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.247 5.352 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.288 6.663 6.561 1.00 0.00 H new ATOM 213 N LEU A 14 107.769 4.526 10.524 1.00 0.00 N ATOM 214 CA LEU A 14 106.955 4.576 11.775 1.00 0.00 C ATOM 215 C LEU A 14 107.880 4.825 12.970 1.00 0.00 C ATOM 216 O LEU A 14 108.864 4.132 13.155 1.00 0.00 O ATOM 217 CB LEU A 14 106.298 3.194 11.874 1.00 0.00 C ATOM 218 CG LEU A 14 105.377 3.138 13.096 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.127 3.979 12.835 1.00 0.00 C ATOM 220 CD2 LEU A 14 104.968 1.687 13.357 1.00 0.00 C ATOM 0 H LEU A 14 108.191 3.620 10.320 1.00 0.00 H new ATOM 0 HA LEU A 14 106.211 5.373 11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.727 2.988 10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.064 2.423 11.950 1.00 0.00 H new ATOM 0 HG LEU A 14 105.903 3.532 13.965 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.473 3.938 13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.417 5.013 12.647 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.599 3.586 11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.312 1.645 14.227 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.442 1.295 12.486 1.00 0.00 H new ATOM 0 HD23 LEU A 14 105.858 1.086 13.544 1.00 0.00 H new ATOM 232 N LEU A 15 107.570 5.807 13.779 1.00 0.00 N ATOM 233 CA LEU A 15 108.502 6.195 14.882 1.00 0.00 C ATOM 234 C LEU A 15 108.117 5.504 16.196 1.00 0.00 C ATOM 235 O LEU A 15 107.006 5.036 16.362 1.00 0.00 O ATOM 236 CB LEU A 15 108.359 7.713 15.009 1.00 0.00 C ATOM 237 CG LEU A 15 108.911 8.389 13.752 1.00 0.00 C ATOM 238 CD1 LEU A 15 108.509 9.865 13.748 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.438 8.279 13.742 1.00 0.00 C ATOM 0 H LEU A 15 106.712 6.356 13.724 1.00 0.00 H new ATOM 0 HA LEU A 15 109.528 5.896 14.668 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.311 7.979 15.147 1.00 0.00 H new ATOM 0 HB3 LEU A 15 108.896 8.066 15.889 1.00 0.00 H new ATOM 0 HG LEU A 15 108.504 7.898 12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 15 108.902 10.347 12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.422 9.946 13.756 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.916 10.355 14.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 110.832 8.760 12.847 1.00 0.00 H new ATOM 0 HD22 LEU A 15 110.844 8.770 14.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 110.727 7.228 13.746 1.00 0.00 H new ATOM 251 N ASN A 16 109.042 5.441 17.128 1.00 0.00 N ATOM 252 CA ASN A 16 108.780 4.748 18.439 1.00 0.00 C ATOM 253 C ASN A 16 107.577 5.363 19.173 1.00 0.00 C ATOM 254 O ASN A 16 106.968 4.729 20.015 1.00 0.00 O ATOM 255 CB ASN A 16 110.066 4.936 19.266 1.00 0.00 C ATOM 256 CG ASN A 16 110.377 6.428 19.446 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.575 7.169 19.981 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.515 6.900 19.019 1.00 0.00 N ATOM 0 H ASN A 16 109.975 5.843 17.038 1.00 0.00 H new ATOM 0 HA ASN A 16 108.538 3.696 18.285 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.951 4.462 20.241 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.901 4.442 18.768 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.732 7.890 19.134 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.188 6.279 18.570 1.00 0.00 H new ATOM 265 N ASN A 17 107.234 6.589 18.857 1.00 0.00 N ATOM 266 CA ASN A 17 106.110 7.274 19.571 1.00 0.00 C ATOM 267 C ASN A 17 104.784 7.081 18.814 1.00 0.00 C ATOM 268 O ASN A 17 103.870 7.874 18.950 1.00 0.00 O ATOM 269 CB ASN A 17 106.509 8.761 19.621 1.00 0.00 C ATOM 270 CG ASN A 17 106.612 9.350 18.205 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.774 8.630 17.240 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.522 10.642 18.044 1.00 0.00 N ATOM 0 H ASN A 17 107.686 7.147 18.132 1.00 0.00 H new ATOM 0 HA ASN A 17 105.952 6.866 20.569 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.773 9.320 20.199 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.465 8.868 20.134 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.588 11.045 17.109 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.386 11.248 18.853 1.00 0.00 H new ATOM 279 N ASP A 18 104.675 6.034 18.015 1.00 0.00 N ATOM 280 CA ASP A 18 103.385 5.715 17.308 1.00 0.00 C ATOM 281 C ASP A 18 102.959 6.882 16.405 1.00 0.00 C ATOM 282 O ASP A 18 101.784 7.077 16.152 1.00 0.00 O ATOM 283 CB ASP A 18 102.337 5.470 18.407 1.00 0.00 C ATOM 284 CG ASP A 18 102.745 4.256 19.248 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.186 3.278 18.668 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.608 4.327 20.458 1.00 0.00 O ATOM 0 H ASP A 18 105.435 5.382 17.822 1.00 0.00 H new ATOM 0 HA ASP A 18 103.494 4.841 16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.249 6.351 19.042 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.358 5.301 17.958 1.00 0.00 H new ATOM 291 N SER A 19 103.905 7.657 15.921 1.00 0.00 N ATOM 292 CA SER A 19 103.579 8.698 14.902 1.00 0.00 C ATOM 293 C SER A 19 104.031 8.220 13.520 1.00 0.00 C ATOM 294 O SER A 19 105.066 7.591 13.384 1.00 0.00 O ATOM 295 CB SER A 19 104.368 9.935 15.329 1.00 0.00 C ATOM 296 OG SER A 19 103.978 10.309 16.644 1.00 0.00 O ATOM 0 H SER A 19 104.888 7.610 16.191 1.00 0.00 H new ATOM 0 HA SER A 19 102.511 8.906 14.841 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.437 9.727 15.300 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.184 10.755 14.635 1.00 0.00 H new ATOM 0 HG SER A 19 104.222 11.245 16.804 1.00 0.00 H new ATOM 302 N LYS A 20 103.266 8.512 12.499 1.00 0.00 N ATOM 303 CA LYS A 20 103.598 7.997 11.136 1.00 0.00 C ATOM 304 C LYS A 20 104.068 9.137 10.230 1.00 0.00 C ATOM 305 O LYS A 20 103.564 10.243 10.300 1.00 0.00 O ATOM 306 CB LYS A 20 102.283 7.419 10.608 1.00 0.00 C ATOM 307 CG LYS A 20 101.902 6.179 11.418 1.00 0.00 C ATOM 308 CD LYS A 20 100.609 5.582 10.861 1.00 0.00 C ATOM 309 CE LYS A 20 100.163 4.413 11.743 1.00 0.00 C ATOM 310 NZ LYS A 20 99.006 3.810 11.026 1.00 0.00 N ATOM 0 H LYS A 20 102.424 9.086 12.551 1.00 0.00 H new ATOM 0 HA LYS A 20 104.400 7.259 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.493 8.167 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.386 7.159 9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.704 5.442 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.770 6.443 12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.830 6.343 10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.765 5.240 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 20 100.967 3.689 11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 20 99.876 4.755 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.644 3.001 11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.254 4.521 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.311 3.487 10.086 1.00 0.00 H new ATOM 324 N ALA A 21 105.031 8.871 9.382 1.00 0.00 N ATOM 325 CA ALA A 21 105.490 9.910 8.407 1.00 0.00 C ATOM 326 C ALA A 21 106.075 9.245 7.158 1.00 0.00 C ATOM 327 O ALA A 21 106.569 8.136 7.218 1.00 0.00 O ATOM 328 CB ALA A 21 106.565 10.705 9.148 1.00 0.00 C ATOM 0 H ALA A 21 105.520 7.978 9.323 1.00 0.00 H new ATOM 0 HA ALA A 21 104.673 10.548 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.952 11.489 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.133 11.156 10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.378 10.038 9.435 1.00 0.00 H new ATOM 334 N ARG A 22 106.018 9.914 6.031 1.00 0.00 N ATOM 335 CA ARG A 22 106.619 9.348 4.781 1.00 0.00 C ATOM 336 C ARG A 22 107.234 10.462 3.929 1.00 0.00 C ATOM 337 O ARG A 22 106.768 11.585 3.938 1.00 0.00 O ATOM 338 CB ARG A 22 105.462 8.660 4.041 1.00 0.00 C ATOM 339 CG ARG A 22 104.358 9.673 3.708 1.00 0.00 C ATOM 340 CD ARG A 22 103.112 8.931 3.214 1.00 0.00 C ATOM 341 NE ARG A 22 102.145 10.004 2.812 1.00 0.00 N ATOM 342 CZ ARG A 22 100.860 9.747 2.654 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.369 8.542 2.831 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.056 10.716 2.308 1.00 0.00 N ATOM 0 H ARG A 22 105.581 10.829 5.923 1.00 0.00 H new ATOM 0 HA ARG A 22 107.423 8.645 4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.831 8.201 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.054 7.858 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.115 10.265 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.707 10.368 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.350 8.280 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.694 8.299 3.998 1.00 0.00 H new ATOM 0 HE ARG A 22 102.487 10.952 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 22 100.985 7.774 3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 22 99.371 8.374 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.423 11.656 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.061 10.532 2.182 1.00 0.00 H new ATOM 358 N GLY A 23 108.276 10.150 3.195 1.00 0.00 N ATOM 359 CA GLY A 23 108.983 11.200 2.398 1.00 0.00 C ATOM 360 C GLY A 23 110.015 10.525 1.491 1.00 0.00 C ATOM 361 O GLY A 23 110.267 9.339 1.607 1.00 0.00 O ATOM 0 H GLY A 23 108.667 9.211 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.268 11.764 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.474 11.911 3.063 1.00 0.00 H new ATOM 365 N VAL A 24 110.617 11.269 0.590 1.00 0.00 N ATOM 366 CA VAL A 24 111.591 10.655 -0.367 1.00 0.00 C ATOM 367 C VAL A 24 113.010 10.807 0.188 1.00 0.00 C ATOM 368 O VAL A 24 113.487 11.903 0.394 1.00 0.00 O ATOM 369 CB VAL A 24 111.435 11.447 -1.677 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.337 10.843 -2.762 1.00 0.00 C ATOM 371 CG2 VAL A 24 109.978 11.386 -2.154 1.00 0.00 C ATOM 0 H VAL A 24 110.475 12.273 0.478 1.00 0.00 H new ATOM 0 HA VAL A 24 111.410 9.592 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 24 111.720 12.483 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.222 11.408 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.376 10.887 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.054 9.804 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.875 11.949 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.695 10.348 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.328 11.818 -1.393 1.00 0.00 H new ATOM 381 N ILE A 25 113.682 9.709 0.425 1.00 0.00 N ATOM 382 CA ILE A 25 114.998 9.765 1.148 1.00 0.00 C ATOM 383 C ILE A 25 116.036 10.535 0.321 1.00 0.00 C ATOM 384 O ILE A 25 116.063 10.453 -0.890 1.00 0.00 O ATOM 385 CB ILE A 25 115.419 8.295 1.338 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.395 7.580 2.228 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.803 8.220 1.999 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.645 6.070 2.196 1.00 0.00 C ATOM 0 H ILE A 25 113.380 8.774 0.151 1.00 0.00 H new ATOM 0 HA ILE A 25 114.919 10.286 2.102 1.00 0.00 H new ATOM 0 HB ILE A 25 115.463 7.812 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.469 7.948 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.384 7.798 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.089 7.176 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.536 8.722 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.768 8.709 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.915 5.567 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.549 5.707 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.650 5.860 2.563 1.00 0.00 H new ATOM 400 N THR A 26 116.886 11.285 0.982 1.00 0.00 N ATOM 401 CA THR A 26 117.945 12.052 0.259 1.00 0.00 C ATOM 402 C THR A 26 119.345 11.652 0.737 1.00 0.00 C ATOM 403 O THR A 26 120.301 11.765 -0.009 1.00 0.00 O ATOM 404 CB THR A 26 117.672 13.524 0.573 1.00 0.00 C ATOM 405 OG1 THR A 26 117.369 13.674 1.952 1.00 0.00 O ATOM 406 CG2 THR A 26 116.494 14.012 -0.269 1.00 0.00 C ATOM 0 H THR A 26 116.890 11.398 1.996 1.00 0.00 H new ATOM 0 HA THR A 26 117.917 11.851 -0.812 1.00 0.00 H new ATOM 0 HB THR A 26 118.557 14.114 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.762 14.434 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.298 15.061 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.733 13.904 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.609 13.420 -0.035 1.00 0.00 H new ATOM 414 N ASN A 27 119.489 11.185 1.965 1.00 0.00 N ATOM 415 CA ASN A 27 120.860 10.812 2.444 1.00 0.00 C ATOM 416 C ASN A 27 120.801 9.899 3.673 1.00 0.00 C ATOM 417 O ASN A 27 119.813 9.843 4.376 1.00 0.00 O ATOM 418 CB ASN A 27 121.537 12.139 2.797 1.00 0.00 C ATOM 419 CG ASN A 27 123.046 12.023 2.577 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.497 11.823 1.466 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.853 12.141 3.595 1.00 0.00 N ATOM 0 H ASN A 27 118.734 11.050 2.637 1.00 0.00 H new ATOM 0 HA ASN A 27 121.406 10.256 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 27 121.131 12.941 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.330 12.399 3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.861 12.065 3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.476 12.309 4.528 1.00 0.00 H new ATOM 428 N PHE A 28 121.874 9.184 3.918 1.00 0.00 N ATOM 429 CA PHE A 28 122.026 8.417 5.194 1.00 0.00 C ATOM 430 C PHE A 28 123.513 8.325 5.549 1.00 0.00 C ATOM 431 O PHE A 28 124.322 7.886 4.751 1.00 0.00 O ATOM 432 CB PHE A 28 121.441 7.027 4.917 1.00 0.00 C ATOM 433 CG PHE A 28 121.584 6.065 6.077 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.829 6.262 7.260 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.478 4.969 5.983 1.00 0.00 C ATOM 436 CE1 PHE A 28 120.968 5.364 8.346 1.00 0.00 C ATOM 437 CE2 PHE A 28 122.615 4.071 7.069 1.00 0.00 C ATOM 438 CZ PHE A 28 121.860 4.269 8.250 1.00 0.00 C ATOM 0 H PHE A 28 122.663 9.099 3.277 1.00 0.00 H new ATOM 0 HA PHE A 28 121.516 8.892 6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.384 7.130 4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 28 121.933 6.603 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.148 7.097 7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.055 4.819 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.393 5.515 9.248 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.295 3.235 6.996 1.00 0.00 H new ATOM 0 HZ PHE A 28 121.965 3.584 9.078 1.00 0.00 H new ATOM 448 N ASP A 29 123.872 8.735 6.740 1.00 0.00 N ATOM 449 CA ASP A 29 125.309 8.731 7.138 1.00 0.00 C ATOM 450 C ASP A 29 125.585 7.496 7.984 1.00 0.00 C ATOM 451 O ASP A 29 124.861 7.219 8.915 1.00 0.00 O ATOM 452 CB ASP A 29 125.497 10.005 7.963 1.00 0.00 C ATOM 453 CG ASP A 29 126.984 10.210 8.257 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.442 9.714 9.273 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.641 10.860 7.460 1.00 0.00 O ATOM 0 H ASP A 29 123.228 9.073 7.455 1.00 0.00 H new ATOM 0 HA ASP A 29 125.988 8.706 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.101 10.864 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.938 9.932 8.896 1.00 0.00 H new ATOM 460 N SER A 30 126.616 6.753 7.669 1.00 0.00 N ATOM 461 CA SER A 30 126.882 5.484 8.419 1.00 0.00 C ATOM 462 C SER A 30 127.332 5.790 9.849 1.00 0.00 C ATOM 463 O SER A 30 126.794 5.259 10.802 1.00 0.00 O ATOM 464 CB SER A 30 127.998 4.778 7.645 1.00 0.00 C ATOM 465 OG SER A 30 127.588 4.594 6.296 1.00 0.00 O ATOM 0 H SER A 30 127.284 6.968 6.928 1.00 0.00 H new ATOM 0 HA SER A 30 125.988 4.865 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.913 5.369 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.222 3.815 8.104 1.00 0.00 H new ATOM 0 HG SER A 30 128.301 4.144 5.796 1.00 0.00 H new ATOM 471 N SER A 31 128.313 6.648 10.006 1.00 0.00 N ATOM 472 CA SER A 31 128.886 6.911 11.369 1.00 0.00 C ATOM 473 C SER A 31 127.807 7.438 12.320 1.00 0.00 C ATOM 474 O SER A 31 127.728 7.033 13.465 1.00 0.00 O ATOM 475 CB SER A 31 129.969 7.971 11.159 1.00 0.00 C ATOM 476 OG SER A 31 130.853 7.966 12.274 1.00 0.00 O ATOM 0 H SER A 31 128.743 7.179 9.249 1.00 0.00 H new ATOM 0 HA SER A 31 129.285 6.001 11.817 1.00 0.00 H new ATOM 0 HB2 SER A 31 130.521 7.767 10.242 1.00 0.00 H new ATOM 0 HB3 SER A 31 129.514 8.955 11.045 1.00 0.00 H new ATOM 0 HG SER A 31 131.549 8.643 12.142 1.00 0.00 H new ATOM 482 N ASN A 32 126.976 8.338 11.851 1.00 0.00 N ATOM 483 CA ASN A 32 125.933 8.940 12.740 1.00 0.00 C ATOM 484 C ASN A 32 124.543 8.340 12.463 1.00 0.00 C ATOM 485 O ASN A 32 123.612 8.573 13.212 1.00 0.00 O ATOM 486 CB ASN A 32 125.938 10.434 12.402 1.00 0.00 C ATOM 487 CG ASN A 32 127.301 11.046 12.744 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.884 11.746 11.940 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.839 10.809 13.910 1.00 0.00 N ATOM 0 H ASN A 32 126.975 8.682 10.891 1.00 0.00 H new ATOM 0 HA ASN A 32 126.148 8.746 13.791 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.722 10.576 11.343 1.00 0.00 H new ATOM 0 HB3 ASN A 32 125.152 10.944 12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.747 11.211 14.144 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.352 10.222 14.587 1.00 0.00 H new ATOM 496 N SER A 33 124.387 7.568 11.400 1.00 0.00 N ATOM 497 CA SER A 33 123.029 7.039 11.016 1.00 0.00 C ATOM 498 C SER A 33 121.985 8.167 10.984 1.00 0.00 C ATOM 499 O SER A 33 121.072 8.208 11.790 1.00 0.00 O ATOM 500 CB SER A 33 122.684 5.993 12.081 1.00 0.00 C ATOM 501 OG SER A 33 123.161 4.720 11.660 1.00 0.00 O ATOM 0 H SER A 33 125.146 7.282 10.782 1.00 0.00 H new ATOM 0 HA SER A 33 123.032 6.606 10.016 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.135 6.266 13.035 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.606 5.957 12.237 1.00 0.00 H new ATOM 0 HG SER A 33 122.845 4.537 10.751 1.00 0.00 H new ATOM 507 N ILE A 34 122.121 9.081 10.052 1.00 0.00 N ATOM 508 CA ILE A 34 121.197 10.263 10.012 1.00 0.00 C ATOM 509 C ILE A 34 120.538 10.348 8.633 1.00 0.00 C ATOM 510 O ILE A 34 121.209 10.371 7.620 1.00 0.00 O ATOM 511 CB ILE A 34 122.082 11.496 10.271 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.854 11.341 11.601 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.211 12.759 10.329 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.891 11.208 12.797 1.00 0.00 C ATOM 0 H ILE A 34 122.830 9.061 9.319 1.00 0.00 H new ATOM 0 HA ILE A 34 120.400 10.191 10.752 1.00 0.00 H new ATOM 0 HB ILE A 34 122.800 11.584 9.455 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.497 10.462 11.550 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.504 12.203 11.749 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.842 13.628 10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.688 12.884 9.381 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.483 12.663 11.135 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.466 11.101 13.717 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.266 12.099 12.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.259 10.331 12.660 1.00 0.00 H new ATOM 526 N LEU A 35 119.229 10.401 8.591 1.00 0.00 N ATOM 527 CA LEU A 35 118.505 10.259 7.292 1.00 0.00 C ATOM 528 C LEU A 35 117.757 11.545 6.950 1.00 0.00 C ATOM 529 O LEU A 35 116.911 12.000 7.698 1.00 0.00 O ATOM 530 CB LEU A 35 117.517 9.113 7.522 1.00 0.00 C ATOM 531 CG LEU A 35 116.875 8.713 6.192 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.808 7.764 5.442 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.542 8.012 6.461 1.00 0.00 C ATOM 0 H LEU A 35 118.630 10.537 9.405 1.00 0.00 H new ATOM 0 HA LEU A 35 119.184 10.062 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.032 8.258 7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.748 9.419 8.231 1.00 0.00 H new ATOM 0 HG LEU A 35 116.702 9.604 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.351 7.478 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.758 8.263 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 35 117.981 6.872 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.083 7.726 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.715 7.121 7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.877 8.689 6.997 1.00 0.00 H new ATOM 545 N GLN A 36 118.070 12.132 5.823 1.00 0.00 N ATOM 546 CA GLN A 36 117.290 13.309 5.343 1.00 0.00 C ATOM 547 C GLN A 36 116.156 12.832 4.436 1.00 0.00 C ATOM 548 O GLN A 36 116.363 12.007 3.566 1.00 0.00 O ATOM 549 CB GLN A 36 118.290 14.152 4.549 1.00 0.00 C ATOM 550 CG GLN A 36 119.337 14.734 5.500 1.00 0.00 C ATOM 551 CD GLN A 36 120.287 15.644 4.719 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.952 16.771 4.413 1.00 0.00 O ATOM 553 NE2 GLN A 36 121.466 15.200 4.381 1.00 0.00 N ATOM 0 H GLN A 36 118.836 11.844 5.213 1.00 0.00 H new ATOM 0 HA GLN A 36 116.842 13.877 6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.775 13.540 3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.771 14.956 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.848 15.297 6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.897 13.930 5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.748 14.254 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 36 122.106 15.799 3.860 1.00 0.00 H new ATOM 562 N LEU A 37 114.963 13.342 4.636 1.00 0.00 N ATOM 563 CA LEU A 37 113.831 13.007 3.716 1.00 0.00 C ATOM 564 C LEU A 37 113.327 14.277 3.025 1.00 0.00 C ATOM 565 O LEU A 37 112.958 15.238 3.675 1.00 0.00 O ATOM 566 CB LEU A 37 112.724 12.427 4.610 1.00 0.00 C ATOM 567 CG LEU A 37 113.214 11.168 5.345 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.093 10.649 6.252 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.593 10.078 4.332 1.00 0.00 C ATOM 0 H LEU A 37 114.725 13.977 5.398 1.00 0.00 H new ATOM 0 HA LEU A 37 114.136 12.304 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.407 13.176 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.852 12.182 4.003 1.00 0.00 H new ATOM 0 HG LEU A 37 114.091 11.419 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.433 9.756 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 111.827 11.417 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.220 10.404 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.938 9.191 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.722 9.823 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 37 114.388 10.445 3.683 1.00 0.00 H new ATOM 581 N ARG A 38 113.313 14.286 1.715 1.00 0.00 N ATOM 582 CA ARG A 38 112.750 15.458 0.974 1.00 0.00 C ATOM 583 C ARG A 38 111.294 15.180 0.595 1.00 0.00 C ATOM 584 O ARG A 38 111.016 14.419 -0.314 1.00 0.00 O ATOM 585 CB ARG A 38 113.620 15.593 -0.280 1.00 0.00 C ATOM 586 CG ARG A 38 113.206 16.839 -1.068 1.00 0.00 C ATOM 587 CD ARG A 38 114.050 16.941 -2.343 1.00 0.00 C ATOM 588 NE ARG A 38 113.674 18.251 -2.967 1.00 0.00 N ATOM 589 CZ ARG A 38 114.434 18.820 -3.883 1.00 0.00 C ATOM 590 NH1 ARG A 38 115.549 18.263 -4.298 1.00 0.00 N ATOM 591 NH2 ARG A 38 114.066 19.963 -4.394 1.00 0.00 N ATOM 0 H ARG A 38 113.667 13.532 1.126 1.00 0.00 H new ATOM 0 HA ARG A 38 112.758 16.371 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.671 15.662 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.515 14.705 -0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 38 112.148 16.786 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.342 17.731 -0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 38 115.115 16.907 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.843 16.111 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 38 112.812 18.713 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 38 115.847 17.368 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 38 116.117 18.726 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 38 113.201 20.405 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 38 114.644 20.414 -5.103 1.00 0.00 H new ATOM 605 N LEU A 39 110.367 15.794 1.286 1.00 0.00 N ATOM 606 CA LEU A 39 108.925 15.466 1.068 1.00 0.00 C ATOM 607 C LEU A 39 108.350 16.273 -0.102 1.00 0.00 C ATOM 608 O LEU A 39 108.837 17.340 -0.437 1.00 0.00 O ATOM 609 CB LEU A 39 108.237 15.834 2.391 1.00 0.00 C ATOM 610 CG LEU A 39 106.802 15.282 2.436 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.797 13.771 2.188 1.00 0.00 C ATOM 612 CD2 LEU A 39 106.221 15.541 3.825 1.00 0.00 C ATOM 0 H LEU A 39 110.546 16.508 1.992 1.00 0.00 H new ATOM 0 HA LEU A 39 108.774 14.418 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.811 15.435 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 39 108.218 16.918 2.506 1.00 0.00 H new ATOM 0 HG LEU A 39 106.211 15.775 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.773 13.400 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.225 13.562 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.390 13.274 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 39 105.203 15.154 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.834 15.040 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 39 106.211 16.613 4.021 1.00 0.00 H new ATOM 624 N ALA A 40 107.307 15.760 -0.718 1.00 0.00 N ATOM 625 CA ALA A 40 106.809 16.339 -2.012 1.00 0.00 C ATOM 626 C ALA A 40 106.194 17.736 -1.825 1.00 0.00 C ATOM 627 O ALA A 40 105.792 18.364 -2.787 1.00 0.00 O ATOM 628 CB ALA A 40 105.743 15.357 -2.507 1.00 0.00 C ATOM 0 H ALA A 40 106.775 14.959 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 40 107.629 16.466 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.331 15.713 -3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.193 14.375 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.945 15.283 -1.768 1.00 0.00 H new ATOM 634 N ASN A 41 106.112 18.232 -0.610 1.00 0.00 N ATOM 635 CA ASN A 41 105.652 19.643 -0.400 1.00 0.00 C ATOM 636 C ASN A 41 106.837 20.627 -0.495 1.00 0.00 C ATOM 637 O ASN A 41 106.795 21.700 0.080 1.00 0.00 O ATOM 638 CB ASN A 41 105.031 19.663 1.008 1.00 0.00 C ATOM 639 CG ASN A 41 106.083 19.330 2.077 1.00 0.00 C ATOM 640 OD1 ASN A 41 107.132 18.793 1.775 1.00 0.00 O ATOM 641 ND2 ASN A 41 105.844 19.630 3.324 1.00 0.00 N ATOM 0 H ASN A 41 106.343 17.721 0.242 1.00 0.00 H new ATOM 0 HA ASN A 41 104.936 19.953 -1.161 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.603 20.646 1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 41 104.214 18.943 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 41 106.536 19.414 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 41 104.966 20.080 3.581 1.00 0.00 H new ATOM 648 N ASP A 42 107.894 20.276 -1.214 1.00 0.00 N ATOM 649 CA ASP A 42 109.072 21.198 -1.373 1.00 0.00 C ATOM 650 C ASP A 42 109.715 21.487 -0.011 1.00 0.00 C ATOM 651 O ASP A 42 110.306 22.533 0.185 1.00 0.00 O ATOM 652 CB ASP A 42 108.519 22.492 -1.990 1.00 0.00 C ATOM 653 CG ASP A 42 109.663 23.282 -2.627 1.00 0.00 C ATOM 654 OD1 ASP A 42 110.016 22.971 -3.753 1.00 0.00 O ATOM 655 OD2 ASP A 42 110.166 24.184 -1.979 1.00 0.00 O ATOM 0 H ASP A 42 107.986 19.383 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 42 109.842 20.753 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.764 22.256 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.030 23.093 -1.223 1.00 0.00 H new ATOM 660 N SER A 43 109.607 20.571 0.933 1.00 0.00 N ATOM 661 CA SER A 43 110.216 20.809 2.279 1.00 0.00 C ATOM 662 C SER A 43 111.246 19.723 2.599 1.00 0.00 C ATOM 663 O SER A 43 111.027 18.553 2.345 1.00 0.00 O ATOM 664 CB SER A 43 109.046 20.741 3.258 1.00 0.00 C ATOM 665 OG SER A 43 108.058 21.690 2.876 1.00 0.00 O ATOM 0 H SER A 43 109.126 19.678 0.825 1.00 0.00 H new ATOM 0 HA SER A 43 110.739 21.764 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.620 19.738 3.264 1.00 0.00 H new ATOM 0 HB3 SER A 43 109.392 20.947 4.271 1.00 0.00 H new ATOM 0 HG SER A 43 107.383 21.762 3.583 1.00 0.00 H new ATOM 671 N THR A 44 112.368 20.109 3.158 1.00 0.00 N ATOM 672 CA THR A 44 113.390 19.103 3.585 1.00 0.00 C ATOM 673 C THR A 44 113.254 18.815 5.085 1.00 0.00 C ATOM 674 O THR A 44 112.831 19.663 5.849 1.00 0.00 O ATOM 675 CB THR A 44 114.758 19.735 3.263 1.00 0.00 C ATOM 676 OG1 THR A 44 115.788 18.836 3.646 1.00 0.00 O ATOM 677 CG2 THR A 44 114.942 21.064 4.013 1.00 0.00 C ATOM 0 H THR A 44 112.620 21.081 3.337 1.00 0.00 H new ATOM 0 HA THR A 44 113.266 18.150 3.070 1.00 0.00 H new ATOM 0 HB THR A 44 114.805 19.933 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.661 19.232 3.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.916 21.488 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 44 114.158 21.760 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.884 20.887 5.087 1.00 0.00 H new ATOM 685 N LYS A 45 113.611 17.627 5.507 1.00 0.00 N ATOM 686 CA LYS A 45 113.530 17.289 6.962 1.00 0.00 C ATOM 687 C LYS A 45 114.615 16.272 7.332 1.00 0.00 C ATOM 688 O LYS A 45 114.648 15.173 6.812 1.00 0.00 O ATOM 689 CB LYS A 45 112.137 16.686 7.150 1.00 0.00 C ATOM 690 CG LYS A 45 111.855 16.500 8.643 1.00 0.00 C ATOM 691 CD LYS A 45 110.479 15.858 8.826 1.00 0.00 C ATOM 692 CE LYS A 45 110.113 15.846 10.313 1.00 0.00 C ATOM 693 NZ LYS A 45 108.632 15.703 10.343 1.00 0.00 N ATOM 0 H LYS A 45 113.955 16.877 4.907 1.00 0.00 H new ATOM 0 HA LYS A 45 113.686 18.160 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.385 17.338 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 45 112.072 15.727 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.624 15.872 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.890 17.463 9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.730 16.412 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.486 14.841 8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.600 15.021 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.431 16.765 10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.305 15.687 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.196 16.506 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.359 14.816 9.873 1.00 0.00 H new ATOM 707 N SER A 46 115.501 16.638 8.228 1.00 0.00 N ATOM 708 CA SER A 46 116.578 15.694 8.657 1.00 0.00 C ATOM 709 C SER A 46 116.163 14.965 9.938 1.00 0.00 C ATOM 710 O SER A 46 115.871 15.584 10.945 1.00 0.00 O ATOM 711 CB SER A 46 117.798 16.577 8.916 1.00 0.00 C ATOM 712 OG SER A 46 117.551 17.403 10.046 1.00 0.00 O ATOM 0 H SER A 46 115.523 17.552 8.681 1.00 0.00 H new ATOM 0 HA SER A 46 116.779 14.929 7.907 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.678 15.958 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 46 118.008 17.192 8.041 1.00 0.00 H new ATOM 0 HG SER A 46 116.725 17.115 10.488 1.00 0.00 H new ATOM 718 N ILE A 47 116.138 13.654 9.906 1.00 0.00 N ATOM 719 CA ILE A 47 115.751 12.870 11.119 1.00 0.00 C ATOM 720 C ILE A 47 116.808 11.795 11.388 1.00 0.00 C ATOM 721 O ILE A 47 117.267 11.131 10.476 1.00 0.00 O ATOM 722 CB ILE A 47 114.389 12.234 10.786 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.363 13.333 10.475 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.894 11.414 11.982 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.106 12.704 9.870 1.00 0.00 C ATOM 0 H ILE A 47 116.370 13.092 9.087 1.00 0.00 H new ATOM 0 HA ILE A 47 115.683 13.490 12.013 1.00 0.00 H new ATOM 0 HB ILE A 47 114.506 11.585 9.918 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.108 13.875 11.386 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.790 14.057 9.781 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.930 10.966 11.742 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.614 10.627 12.207 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.785 12.065 12.850 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.378 13.485 9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.367 12.181 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.676 11.997 10.579 1.00 0.00 H new ATOM 737 N VAL A 48 117.196 11.622 12.627 1.00 0.00 N ATOM 738 CA VAL A 48 118.198 10.560 12.957 1.00 0.00 C ATOM 739 C VAL A 48 117.478 9.207 13.070 1.00 0.00 C ATOM 740 O VAL A 48 116.508 9.070 13.788 1.00 0.00 O ATOM 741 CB VAL A 48 118.817 10.985 14.302 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.881 9.965 14.734 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.455 12.381 14.171 1.00 0.00 C ATOM 0 H VAL A 48 116.864 12.168 13.422 1.00 0.00 H new ATOM 0 HA VAL A 48 118.970 10.450 12.195 1.00 0.00 H new ATOM 0 HB VAL A 48 118.031 11.023 15.056 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.314 10.272 15.686 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.420 8.983 14.845 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.665 9.914 13.978 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.890 12.673 15.127 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.235 12.355 13.410 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.692 13.104 13.883 1.00 0.00 H new ATOM 753 N THR A 49 117.953 8.211 12.360 1.00 0.00 N ATOM 754 CA THR A 49 117.179 6.930 12.216 1.00 0.00 C ATOM 755 C THR A 49 116.911 6.265 13.568 1.00 0.00 C ATOM 756 O THR A 49 115.958 5.526 13.721 1.00 0.00 O ATOM 757 CB THR A 49 118.063 6.022 11.354 1.00 0.00 C ATOM 758 OG1 THR A 49 119.347 5.915 11.950 1.00 0.00 O ATOM 759 CG2 THR A 49 118.194 6.611 9.948 1.00 0.00 C ATOM 0 H THR A 49 118.848 8.228 11.871 1.00 0.00 H new ATOM 0 HA THR A 49 116.201 7.117 11.771 1.00 0.00 H new ATOM 0 HB THR A 49 117.610 5.033 11.285 1.00 0.00 H new ATOM 0 HG1 THR A 49 119.865 6.725 11.759 1.00 0.00 H new ATOM 0 HG21 THR A 49 118.823 5.962 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.207 6.690 9.493 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.646 7.601 10.009 1.00 0.00 H new ATOM 767 N LYS A 50 117.742 6.521 14.546 1.00 0.00 N ATOM 768 CA LYS A 50 117.607 5.817 15.866 1.00 0.00 C ATOM 769 C LYS A 50 116.224 6.052 16.485 1.00 0.00 C ATOM 770 O LYS A 50 115.767 5.268 17.298 1.00 0.00 O ATOM 771 CB LYS A 50 118.702 6.407 16.760 1.00 0.00 C ATOM 772 CG LYS A 50 118.812 5.588 18.048 1.00 0.00 C ATOM 773 CD LYS A 50 119.505 4.257 17.749 1.00 0.00 C ATOM 774 CE LYS A 50 119.688 3.473 19.051 1.00 0.00 C ATOM 775 NZ LYS A 50 120.910 4.048 19.677 1.00 0.00 N ATOM 0 H LYS A 50 118.511 7.188 14.491 1.00 0.00 H new ATOM 0 HA LYS A 50 117.711 4.738 15.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 119.656 6.404 16.233 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.472 7.446 16.997 1.00 0.00 H new ATOM 0 HG2 LYS A 50 119.376 6.143 18.798 1.00 0.00 H new ATOM 0 HG3 LYS A 50 117.820 5.409 18.463 1.00 0.00 H new ATOM 0 HD2 LYS A 50 118.912 3.676 17.043 1.00 0.00 H new ATOM 0 HD3 LYS A 50 120.473 4.436 17.281 1.00 0.00 H new ATOM 0 HE2 LYS A 50 118.821 3.583 19.703 1.00 0.00 H new ATOM 0 HE3 LYS A 50 119.808 2.407 18.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 121.666 3.334 19.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.221 4.878 19.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 120.698 4.333 20.654 1.00 0.00 H new ATOM 789 N ASP A 51 115.559 7.116 16.114 1.00 0.00 N ATOM 790 CA ASP A 51 114.168 7.340 16.627 1.00 0.00 C ATOM 791 C ASP A 51 113.144 6.515 15.824 1.00 0.00 C ATOM 792 O ASP A 51 111.970 6.506 16.146 1.00 0.00 O ATOM 793 CB ASP A 51 113.897 8.851 16.495 1.00 0.00 C ATOM 794 CG ASP A 51 114.035 9.318 15.037 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.579 8.613 14.153 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.595 10.383 14.834 1.00 0.00 O ATOM 0 H ASP A 51 115.913 7.836 15.483 1.00 0.00 H new ATOM 0 HA ASP A 51 114.073 7.017 17.664 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.894 9.076 16.858 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.595 9.404 17.124 1.00 0.00 H new ATOM 801 N ILE A 52 113.573 5.824 14.787 1.00 0.00 N ATOM 802 CA ILE A 52 112.618 4.977 13.999 1.00 0.00 C ATOM 803 C ILE A 52 112.384 3.644 14.713 1.00 0.00 C ATOM 804 O ILE A 52 113.309 3.012 15.189 1.00 0.00 O ATOM 805 CB ILE A 52 113.287 4.746 12.633 1.00 0.00 C ATOM 806 CG1 ILE A 52 113.527 6.100 11.942 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.370 3.882 11.754 1.00 0.00 C ATOM 808 CD1 ILE A 52 114.335 5.897 10.655 1.00 0.00 C ATOM 0 H ILE A 52 114.538 5.811 14.456 1.00 0.00 H new ATOM 0 HA ILE A 52 111.647 5.460 13.889 1.00 0.00 H new ATOM 0 HB ILE A 52 114.240 4.237 12.778 1.00 0.00 H new ATOM 0 HG12 ILE A 52 112.573 6.574 11.711 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.061 6.771 12.615 1.00 0.00 H new ATOM 0 HG21 ILE A 52 112.843 3.718 10.786 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.198 2.922 12.241 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.417 4.392 11.610 1.00 0.00 H new ATOM 0 HD11 ILE A 52 114.500 6.861 10.173 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.296 5.443 10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 52 113.784 5.243 9.979 1.00 0.00 H new ATOM 820 N LYS A 53 111.148 3.221 14.788 1.00 0.00 N ATOM 821 CA LYS A 53 110.851 1.837 15.254 1.00 0.00 C ATOM 822 C LYS A 53 110.796 0.889 14.050 1.00 0.00 C ATOM 823 O LYS A 53 111.123 -0.277 14.162 1.00 0.00 O ATOM 824 CB LYS A 53 109.485 1.920 15.939 1.00 0.00 C ATOM 825 CG LYS A 53 109.170 0.587 16.622 1.00 0.00 C ATOM 826 CD LYS A 53 107.771 0.647 17.241 1.00 0.00 C ATOM 827 CE LYS A 53 107.511 -0.632 18.040 1.00 0.00 C ATOM 828 NZ LYS A 53 106.030 -0.791 18.037 1.00 0.00 N ATOM 0 H LYS A 53 110.329 3.779 14.545 1.00 0.00 H new ATOM 0 HA LYS A 53 111.613 1.456 15.934 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.484 2.725 16.673 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.713 2.156 15.206 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.224 -0.226 15.898 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.911 0.377 17.393 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.686 1.518 17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.020 0.759 16.459 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.002 -1.491 17.582 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.897 -0.549 19.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 105.772 -1.648 18.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.591 0.038 18.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.692 -0.874 17.057 1.00 0.00 H new ATOM 842 N ASP A 54 110.390 1.390 12.900 1.00 0.00 N ATOM 843 CA ASP A 54 110.235 0.508 11.694 1.00 0.00 C ATOM 844 C ASP A 54 110.113 1.355 10.421 1.00 0.00 C ATOM 845 O ASP A 54 109.786 2.526 10.473 1.00 0.00 O ATOM 846 CB ASP A 54 108.944 -0.290 11.924 1.00 0.00 C ATOM 847 CG ASP A 54 109.256 -1.599 12.655 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.747 -2.511 12.010 1.00 0.00 O ATOM 849 OD2 ASP A 54 109.001 -1.664 13.845 1.00 0.00 O ATOM 0 H ASP A 54 110.160 2.372 12.747 1.00 0.00 H new ATOM 0 HA ASP A 54 111.098 -0.146 11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 54 108.240 0.303 12.508 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.464 -0.504 10.969 1.00 0.00 H new ATOM 854 N LEU A 55 110.375 0.761 9.279 1.00 0.00 N ATOM 855 CA LEU A 55 110.221 1.492 7.983 1.00 0.00 C ATOM 856 C LEU A 55 109.454 0.629 6.976 1.00 0.00 C ATOM 857 O LEU A 55 109.414 -0.583 7.090 1.00 0.00 O ATOM 858 CB LEU A 55 111.648 1.737 7.480 1.00 0.00 C ATOM 859 CG LEU A 55 112.363 2.754 8.385 1.00 0.00 C ATOM 860 CD1 LEU A 55 113.231 2.016 9.409 1.00 0.00 C ATOM 861 CD2 LEU A 55 113.255 3.662 7.532 1.00 0.00 C ATOM 0 H LEU A 55 110.691 -0.205 9.191 1.00 0.00 H new ATOM 0 HA LEU A 55 109.665 2.421 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.203 0.799 7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.622 2.107 6.455 1.00 0.00 H new ATOM 0 HG LEU A 55 111.617 3.355 8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 55 113.736 2.741 10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 55 112.602 1.369 10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 55 113.974 1.412 8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 55 113.761 4.382 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 55 113.997 3.057 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 55 112.643 4.193 6.803 1.00 0.00 H new ATOM 873 N ARG A 56 108.846 1.248 5.992 1.00 0.00 N ATOM 874 CA ARG A 56 108.179 0.473 4.901 1.00 0.00 C ATOM 875 C ARG A 56 108.207 1.285 3.599 1.00 0.00 C ATOM 876 O ARG A 56 108.136 2.497 3.626 1.00 0.00 O ATOM 877 CB ARG A 56 106.736 0.248 5.389 1.00 0.00 C ATOM 878 CG ARG A 56 105.945 1.569 5.366 1.00 0.00 C ATOM 879 CD ARG A 56 104.884 1.567 6.472 1.00 0.00 C ATOM 880 NE ARG A 56 103.958 0.434 6.143 1.00 0.00 N ATOM 881 CZ ARG A 56 103.135 -0.066 7.046 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.083 0.409 8.270 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.351 -1.054 6.714 1.00 0.00 N ATOM 0 H ARG A 56 108.784 2.262 5.899 1.00 0.00 H new ATOM 0 HA ARG A 56 108.676 -0.474 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.243 -0.489 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.747 -0.158 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.624 2.411 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.468 1.700 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.340 1.428 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.347 2.515 6.502 1.00 0.00 H new ATOM 0 HE ARG A 56 103.964 0.041 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.688 1.183 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.437 0.003 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.379 -1.431 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.710 -1.450 7.402 1.00 0.00 H new ATOM 897 N ILE A 57 108.313 0.632 2.472 1.00 0.00 N ATOM 898 CA ILE A 57 108.243 1.370 1.172 1.00 0.00 C ATOM 899 C ILE A 57 106.780 1.530 0.739 1.00 0.00 C ATOM 900 O ILE A 57 106.011 0.585 0.773 1.00 0.00 O ATOM 901 CB ILE A 57 109.017 0.521 0.152 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.449 0.263 0.650 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.083 1.285 -1.175 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.079 -0.870 -0.165 1.00 0.00 C ATOM 0 H ILE A 57 108.445 -0.376 2.393 1.00 0.00 H new ATOM 0 HA ILE A 57 108.671 2.369 1.254 1.00 0.00 H new ATOM 0 HB ILE A 57 108.508 -0.434 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.047 1.169 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.435 -0.000 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.630 0.693 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.072 1.470 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.593 2.236 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.094 -1.052 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.486 -1.777 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.107 -0.589 -1.218 1.00 0.00 H new ATOM 916 N LEU A 58 106.394 2.716 0.331 1.00 0.00 N ATOM 917 CA LEU A 58 104.973 2.946 -0.083 1.00 0.00 C ATOM 918 C LEU A 58 104.774 2.519 -1.546 1.00 0.00 C ATOM 919 O LEU A 58 105.708 2.563 -2.325 1.00 0.00 O ATOM 920 CB LEU A 58 104.743 4.451 0.073 1.00 0.00 C ATOM 921 CG LEU A 58 104.762 4.820 1.556 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.857 6.340 1.703 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.475 4.325 2.221 1.00 0.00 C ATOM 0 H LEU A 58 107.001 3.533 0.267 1.00 0.00 H new ATOM 0 HA LEU A 58 104.272 2.367 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.516 5.005 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.787 4.731 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 58 105.623 4.353 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.871 6.603 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.772 6.695 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.996 6.806 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.488 4.588 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.615 4.792 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.405 3.242 2.117 1.00 0.00 H new ATOM 1736 N SER B 257 111.601 -5.010 2.792 1.00 0.00 N ATOM 1737 CA SER B 257 111.355 -3.959 3.838 1.00 0.00 C ATOM 1738 C SER B 257 112.090 -4.311 5.137 1.00 0.00 C ATOM 1739 O SER B 257 112.587 -3.446 5.834 1.00 0.00 O ATOM 1740 CB SER B 257 109.843 -3.976 4.073 1.00 0.00 C ATOM 1741 OG SER B 257 109.173 -3.781 2.833 1.00 0.00 O ATOM 0 HA SER B 257 111.714 -2.980 3.521 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.543 -4.925 4.516 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.564 -3.193 4.778 1.00 0.00 H new ATOM 0 HG SER B 257 109.715 -4.154 2.106 1.00 0.00 H new ATOM 1747 N SER B 258 112.155 -5.580 5.455 1.00 0.00 N ATOM 1748 CA SER B 258 112.835 -6.013 6.717 1.00 0.00 C ATOM 1749 C SER B 258 114.346 -5.793 6.609 1.00 0.00 C ATOM 1750 O SER B 258 114.993 -5.402 7.564 1.00 0.00 O ATOM 1751 CB SER B 258 112.521 -7.503 6.861 1.00 0.00 C ATOM 1752 OG SER B 258 113.000 -7.965 8.117 1.00 0.00 O ATOM 0 H SER B 258 111.766 -6.338 4.894 1.00 0.00 H new ATOM 0 HA SER B 258 112.490 -5.443 7.580 1.00 0.00 H new ATOM 0 HB2 SER B 258 111.446 -7.669 6.785 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.988 -8.065 6.052 1.00 0.00 H new ATOM 0 HG SER B 258 112.799 -8.919 8.213 1.00 0.00 H new ATOM 1758 N GLN B 259 114.911 -6.040 5.450 1.00 0.00 N ATOM 1759 CA GLN B 259 116.389 -5.853 5.269 1.00 0.00 C ATOM 1760 C GLN B 259 116.764 -4.377 5.429 1.00 0.00 C ATOM 1761 O GLN B 259 117.816 -4.051 5.948 1.00 0.00 O ATOM 1762 CB GLN B 259 116.691 -6.330 3.845 1.00 0.00 C ATOM 1763 CG GLN B 259 116.532 -7.850 3.770 1.00 0.00 C ATOM 1764 CD GLN B 259 117.692 -8.523 4.507 1.00 0.00 C ATOM 1765 OE1 GLN B 259 118.842 -8.226 4.255 1.00 0.00 O ATOM 1766 NE2 GLN B 259 117.434 -9.424 5.417 1.00 0.00 N ATOM 0 H GLN B 259 114.413 -6.363 4.621 1.00 0.00 H new ATOM 0 HA GLN B 259 116.961 -6.409 6.011 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.016 -5.848 3.138 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.705 -6.046 3.562 1.00 0.00 H new ATOM 0 HG2 GLN B 259 115.583 -8.149 4.214 1.00 0.00 H new ATOM 0 HG3 GLN B 259 116.512 -8.173 2.729 1.00 0.00 H new ATOM 0 HE21 GLN B 259 116.468 -9.673 5.628 1.00 0.00 H new ATOM 0 HE22 GLN B 259 118.199 -9.878 5.916 1.00 0.00 H new ATOM 1775 N LEU B 260 115.908 -3.485 4.989 1.00 0.00 N ATOM 1776 CA LEU B 260 116.201 -2.022 5.127 1.00 0.00 C ATOM 1777 C LEU B 260 116.182 -1.614 6.603 1.00 0.00 C ATOM 1778 O LEU B 260 116.985 -0.811 7.041 1.00 0.00 O ATOM 1779 CB LEU B 260 115.088 -1.305 4.358 1.00 0.00 C ATOM 1780 CG LEU B 260 115.220 -1.606 2.864 1.00 0.00 C ATOM 1781 CD1 LEU B 260 113.952 -1.153 2.138 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.426 -0.854 2.297 1.00 0.00 C ATOM 0 H LEU B 260 115.019 -3.707 4.540 1.00 0.00 H new ATOM 0 HA LEU B 260 117.187 -1.767 4.738 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.113 -1.632 4.720 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.148 -0.230 4.529 1.00 0.00 H new ATOM 0 HG LEU B 260 115.358 -2.678 2.721 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.046 -1.367 1.073 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.091 -1.687 2.541 1.00 0.00 H new ATOM 0 HD13 LEU B 260 113.814 -0.081 2.281 1.00 0.00 H new ATOM 0 HD21 LEU B 260 116.521 -1.068 1.232 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.287 0.218 2.441 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.331 -1.175 2.813 1.00 0.00 H new ATOM 1794 N LEU B 261 115.271 -2.163 7.371 1.00 0.00 N ATOM 1795 CA LEU B 261 115.214 -1.832 8.831 1.00 0.00 C ATOM 1796 C LEU B 261 116.447 -2.397 9.545 1.00 0.00 C ATOM 1797 O LEU B 261 117.012 -1.762 10.417 1.00 0.00 O ATOM 1798 CB LEU B 261 113.926 -2.491 9.352 1.00 0.00 C ATOM 1799 CG LEU B 261 113.697 -2.122 10.828 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.475 -0.613 10.962 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.458 -2.858 11.348 1.00 0.00 C ATOM 0 H LEU B 261 114.565 -2.826 7.050 1.00 0.00 H new ATOM 0 HA LEU B 261 115.209 -0.757 9.010 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.075 -2.167 8.753 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.995 -3.574 9.247 1.00 0.00 H new ATOM 0 HG LEU B 261 114.574 -2.411 11.408 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.314 -0.361 12.010 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.352 -0.082 10.592 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.601 -0.321 10.380 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.293 -2.599 12.394 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.588 -2.566 10.760 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.610 -3.934 11.261 1.00 0.00 H new ATOM 1813 N SER B 262 116.862 -3.587 9.180 1.00 0.00 N ATOM 1814 CA SER B 262 118.097 -4.182 9.790 1.00 0.00 C ATOM 1815 C SER B 262 119.326 -3.333 9.449 1.00 0.00 C ATOM 1816 O SER B 262 120.187 -3.113 10.281 1.00 0.00 O ATOM 1817 CB SER B 262 118.227 -5.574 9.168 1.00 0.00 C ATOM 1818 OG SER B 262 117.019 -6.295 9.374 1.00 0.00 O ATOM 0 H SER B 262 116.399 -4.173 8.485 1.00 0.00 H new ATOM 0 HA SER B 262 118.030 -4.225 10.877 1.00 0.00 H new ATOM 0 HB2 SER B 262 118.437 -5.490 8.102 1.00 0.00 H new ATOM 0 HB3 SER B 262 119.064 -6.109 9.617 1.00 0.00 H new ATOM 0 HG SER B 262 116.384 -6.080 8.659 1.00 0.00 H new ATOM 1824 N LEU B 263 119.407 -2.855 8.229 1.00 0.00 N ATOM 1825 CA LEU B 263 120.573 -2.002 7.823 1.00 0.00 C ATOM 1826 C LEU B 263 120.562 -0.684 8.603 1.00 0.00 C ATOM 1827 O LEU B 263 121.588 -0.218 9.063 1.00 0.00 O ATOM 1828 CB LEU B 263 120.385 -1.738 6.326 1.00 0.00 C ATOM 1829 CG LEU B 263 120.595 -3.037 5.546 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.007 -2.890 4.142 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.093 -3.330 5.442 1.00 0.00 C ATOM 0 H LEU B 263 118.717 -3.018 7.496 1.00 0.00 H new ATOM 0 HA LEU B 263 121.525 -2.490 8.030 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.385 -1.347 6.138 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.092 -0.981 5.988 1.00 0.00 H new ATOM 0 HG LEU B 263 120.098 -3.857 6.064 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.157 -3.816 3.586 1.00 0.00 H new ATOM 0 HD12 LEU B 263 118.940 -2.679 4.215 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.505 -2.071 3.623 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.245 -4.255 4.886 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.589 -2.510 4.923 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.514 -3.434 6.442 1.00 0.00 H new