USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= 0.00916 USER MOD Single : A 9 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.076) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.251 K(o=0.25,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.0729 (180deg=-0.527) USER MOD Single : A 30 THR OG1 : rot 150:sc= 0.034 USER MOD Single : A 33 SER OG : rot 160:sc= 0 USER MOD Single : A 35 MET CE :methyl -163:sc= -0.157 (180deg=-0.589) USER MOD Single : A 39 ASN : amide:sc= -0.0757 X(o=-0.076,f=-0.28) USER MOD Single : A 40 CYS SG : rot 79:sc= -0.104 USER MOD Single : A 42 THR OG1 : rot 69:sc= 0.703 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= 1.08 (180deg=0.326) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.05! K(o=-2!,f=-0.63) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0838 (180deg=-0.438) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 77:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 1.08 K(o=1.1,f=-0.11) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 SER OG : rot -70:sc= 0.649 USER MOD Single : B 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0118) USER MOD Single : B 26 HIS : no HD1:sc= -7.17! C(o=-7.2!,f=-15!) USER MOD Single : B 27 LYS NZ :NH3+ -157:sc= -1.59! (180deg=-3.03!) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.223 USER MOD Single : B 33 SER OG : rot -79:sc= 1.1 USER MOD Single : B 35 MET CE :methyl -155:sc= -0.333 (180deg=-1.34!) USER MOD Single : B 39 ASN : amide:sc= -5.86! C(o=-5.9!,f=-6.7!) USER MOD Single : B 40 CYS SG : rot 170:sc= -1.04 USER MOD Single : B 42 THR OG1 : rot 84:sc= -0.0142 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0.0284 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : B 60 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.14) USER MOD Single : B 68 SER OG : rot 79:sc= 1.26 USER MOD Single : B 70 LYS NZ :NH3+ 170:sc=-0.00105 (180deg=-0.108) USER MOD Single : B 71 SER OG : rot -37:sc= 0.031 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -3.282 19.742 -1.949 1.00 0.00 N ATOM 121 CA SER A 8 -2.059 20.443 -2.304 1.00 0.00 C ATOM 122 C SER A 8 -0.863 19.512 -2.148 1.00 0.00 C ATOM 123 O SER A 8 -0.910 18.565 -1.362 1.00 0.00 O ATOM 124 CB SER A 8 -1.894 21.680 -1.413 1.00 0.00 C ATOM 125 OG SER A 8 -0.655 22.328 -1.646 1.00 0.00 O ATOM 0 HA SER A 8 -2.116 20.764 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.711 22.377 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.961 21.386 -0.365 1.00 0.00 H new ATOM 0 HG SER A 8 -0.582 23.113 -1.064 1.00 0.00 H new ATOM 131 N ASN A 9 0.200 19.773 -2.902 1.00 0.00 N ATOM 132 CA ASN A 9 1.423 18.981 -2.808 1.00 0.00 C ATOM 133 C ASN A 9 1.990 19.047 -1.392 1.00 0.00 C ATOM 134 O ASN A 9 2.539 18.066 -0.888 1.00 0.00 O ATOM 135 CB ASN A 9 2.469 19.464 -3.824 1.00 0.00 C ATOM 136 CG ASN A 9 2.921 20.892 -3.581 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.881 21.136 -2.849 1.00 0.00 O ATOM 138 ND2 ASN A 9 2.236 21.847 -4.194 1.00 0.00 N ATOM 0 H ASN A 9 0.240 20.528 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 9 1.176 17.945 -3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.335 18.804 -3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.053 19.387 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.498 22.824 -4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.447 21.604 -4.793 1.00 0.00 H new ATOM 145 N THR A 10 1.830 20.202 -0.750 1.00 0.00 N ATOM 146 CA THR A 10 2.237 20.379 0.634 1.00 0.00 C ATOM 147 C THR A 10 1.457 19.422 1.532 1.00 0.00 C ATOM 148 O THR A 10 2.013 18.794 2.435 1.00 0.00 O ATOM 149 CB THR A 10 1.980 21.830 1.093 1.00 0.00 C ATOM 150 OG1 THR A 10 2.394 22.746 0.070 1.00 0.00 O ATOM 151 CG2 THR A 10 2.730 22.135 2.381 1.00 0.00 C ATOM 0 H THR A 10 1.418 21.033 -1.174 1.00 0.00 H new ATOM 0 HA THR A 10 3.303 20.166 0.708 1.00 0.00 H new ATOM 0 HB THR A 10 0.912 21.944 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.227 23.665 0.367 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.532 23.164 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.396 21.456 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.800 22.004 2.219 1.00 0.00 H new ATOM 159 N GLN A 11 0.167 19.294 1.237 1.00 0.00 N ATOM 160 CA GLN A 11 -0.731 18.445 2.006 1.00 0.00 C ATOM 161 C GLN A 11 -0.383 16.973 1.805 1.00 0.00 C ATOM 162 O GLN A 11 -0.241 16.229 2.771 1.00 0.00 O ATOM 163 CB GLN A 11 -2.183 18.716 1.591 1.00 0.00 C ATOM 164 CG GLN A 11 -3.223 17.932 2.377 1.00 0.00 C ATOM 165 CD GLN A 11 -4.640 18.314 1.988 1.00 0.00 C ATOM 166 OE1 GLN A 11 -4.901 19.447 1.581 1.00 0.00 O ATOM 167 NE2 GLN A 11 -5.568 17.378 2.116 1.00 0.00 N ATOM 0 H GLN A 11 -0.283 19.776 0.459 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.616 18.678 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.387 19.781 1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.294 18.482 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.076 16.865 2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.080 18.109 3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.314 16.451 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.537 17.584 1.874 1.00 0.00 H new ATOM 176 N VAL A 12 -0.228 16.566 0.548 1.00 0.00 N ATOM 177 CA VAL A 12 0.093 15.177 0.224 1.00 0.00 C ATOM 178 C VAL A 12 1.381 14.746 0.922 1.00 0.00 C ATOM 179 O VAL A 12 1.424 13.710 1.585 1.00 0.00 O ATOM 180 CB VAL A 12 0.243 14.963 -1.300 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.505 13.497 -1.617 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.994 15.453 -2.034 1.00 0.00 C ATOM 0 H VAL A 12 -0.319 17.177 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.738 14.567 0.578 1.00 0.00 H new ATOM 0 HB VAL A 12 1.099 15.545 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.607 13.370 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.424 13.177 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.328 12.893 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.869 15.294 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.867 14.901 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.135 16.516 -1.840 1.00 0.00 H new ATOM 192 N GLU A 13 2.416 15.570 0.788 1.00 0.00 N ATOM 193 CA GLU A 13 3.710 15.291 1.400 1.00 0.00 C ATOM 194 C GLU A 13 3.579 15.201 2.921 1.00 0.00 C ATOM 195 O GLU A 13 4.176 14.327 3.551 1.00 0.00 O ATOM 196 CB GLU A 13 4.710 16.383 1.018 1.00 0.00 C ATOM 197 CG GLU A 13 6.130 16.117 1.490 1.00 0.00 C ATOM 198 CD GLU A 13 7.065 17.262 1.161 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.144 18.216 1.962 1.00 0.00 O ATOM 200 OE2 GLU A 13 7.710 17.227 0.092 1.00 0.00 O ATOM 0 H GLU A 13 2.382 16.441 0.258 1.00 0.00 H new ATOM 0 HA GLU A 13 4.072 14.331 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.714 16.494 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.372 17.332 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.128 15.950 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.500 15.203 1.026 1.00 0.00 H new ATOM 207 N SER A 14 2.780 16.097 3.496 1.00 0.00 N ATOM 208 CA SER A 14 2.549 16.125 4.936 1.00 0.00 C ATOM 209 C SER A 14 1.979 14.790 5.419 1.00 0.00 C ATOM 210 O SER A 14 2.393 14.262 6.455 1.00 0.00 O ATOM 211 CB SER A 14 1.588 17.272 5.283 1.00 0.00 C ATOM 212 OG SER A 14 1.357 17.365 6.680 1.00 0.00 O ATOM 0 H SER A 14 2.278 16.819 2.980 1.00 0.00 H new ATOM 0 HA SER A 14 3.501 16.289 5.441 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.000 18.213 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.640 17.119 4.768 1.00 0.00 H new ATOM 0 HG SER A 14 0.743 18.107 6.861 1.00 0.00 H new ATOM 218 N LEU A 15 1.040 14.244 4.653 1.00 0.00 N ATOM 219 CA LEU A 15 0.415 12.971 4.989 1.00 0.00 C ATOM 220 C LEU A 15 1.425 11.832 4.941 1.00 0.00 C ATOM 221 O LEU A 15 1.523 11.045 5.888 1.00 0.00 O ATOM 222 CB LEU A 15 -0.755 12.674 4.045 1.00 0.00 C ATOM 223 CG LEU A 15 -2.116 13.220 4.486 1.00 0.00 C ATOM 224 CD1 LEU A 15 -2.096 14.736 4.615 1.00 0.00 C ATOM 225 CD2 LEU A 15 -3.199 12.786 3.517 1.00 0.00 C ATOM 0 H LEU A 15 0.694 14.666 3.791 1.00 0.00 H new ATOM 0 HA LEU A 15 0.034 13.050 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.520 13.085 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.838 11.594 3.927 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.336 12.807 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.079 15.087 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.352 15.028 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.843 15.180 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.160 13.182 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.970 13.166 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.246 11.697 3.488 1.00 0.00 H new ATOM 237 N ILE A 16 2.175 11.760 3.846 1.00 0.00 N ATOM 238 CA ILE A 16 3.173 10.709 3.653 1.00 0.00 C ATOM 239 C ILE A 16 4.222 10.750 4.762 1.00 0.00 C ATOM 240 O ILE A 16 4.581 9.722 5.331 1.00 0.00 O ATOM 241 CB ILE A 16 3.886 10.861 2.291 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.867 10.950 1.152 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.837 9.695 2.052 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.446 11.501 -0.133 1.00 0.00 C ATOM 0 H ILE A 16 2.111 12.422 3.072 1.00 0.00 H new ATOM 0 HA ILE A 16 2.646 9.755 3.679 1.00 0.00 H new ATOM 0 HB ILE A 16 4.463 11.785 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.459 9.957 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.036 11.581 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.330 9.819 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.587 9.669 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.275 8.761 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.669 11.536 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.828 12.507 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.258 10.858 -0.471 1.00 0.00 H new ATOM 256 N ALA A 17 4.697 11.949 5.070 1.00 0.00 N ATOM 257 CA ALA A 17 5.736 12.131 6.074 1.00 0.00 C ATOM 258 C ALA A 17 5.305 11.594 7.436 1.00 0.00 C ATOM 259 O ALA A 17 6.060 10.883 8.093 1.00 0.00 O ATOM 260 CB ALA A 17 6.111 13.600 6.179 1.00 0.00 C ATOM 0 H ALA A 17 4.377 12.815 4.636 1.00 0.00 H new ATOM 0 HA ALA A 17 6.609 11.560 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.889 13.724 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.480 13.951 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.233 14.180 6.464 1.00 0.00 H new ATOM 266 N GLU A 18 4.080 11.910 7.839 1.00 0.00 N ATOM 267 CA GLU A 18 3.604 11.551 9.170 1.00 0.00 C ATOM 268 C GLU A 18 3.433 10.045 9.335 1.00 0.00 C ATOM 269 O GLU A 18 3.766 9.489 10.382 1.00 0.00 O ATOM 270 CB GLU A 18 2.295 12.268 9.484 1.00 0.00 C ATOM 271 CG GLU A 18 2.492 13.705 9.928 1.00 0.00 C ATOM 272 CD GLU A 18 1.186 14.431 10.159 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.208 13.785 10.583 1.00 0.00 O ATOM 274 OE2 GLU A 18 1.129 15.651 9.904 1.00 0.00 O ATOM 0 H GLU A 18 3.401 12.412 7.267 1.00 0.00 H new ATOM 0 HA GLU A 18 4.367 11.873 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.658 12.252 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.768 11.722 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.078 13.719 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.070 14.238 9.173 1.00 0.00 H new ATOM 281 N ILE A 19 2.927 9.380 8.305 1.00 0.00 N ATOM 282 CA ILE A 19 2.720 7.940 8.379 1.00 0.00 C ATOM 283 C ILE A 19 4.052 7.192 8.351 1.00 0.00 C ATOM 284 O ILE A 19 4.176 6.104 8.915 1.00 0.00 O ATOM 285 CB ILE A 19 1.780 7.431 7.267 1.00 0.00 C ATOM 286 CG1 ILE A 19 2.213 7.957 5.900 1.00 0.00 C ATOM 287 CG2 ILE A 19 0.346 7.842 7.572 1.00 0.00 C ATOM 288 CD1 ILE A 19 1.227 7.655 4.791 1.00 0.00 C ATOM 0 H ILE A 19 2.655 9.807 7.420 1.00 0.00 H new ATOM 0 HA ILE A 19 2.232 7.736 9.332 1.00 0.00 H new ATOM 0 HB ILE A 19 1.836 6.343 7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.355 9.036 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.179 7.523 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.312 7.479 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.040 7.413 8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.283 8.929 7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.602 8.059 3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.103 6.576 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.266 8.112 5.024 1.00 0.00 H new ATOM 300 N LEU A 20 5.055 7.797 7.720 1.00 0.00 N ATOM 301 CA LEU A 20 6.407 7.256 7.745 1.00 0.00 C ATOM 302 C LEU A 20 6.990 7.366 9.149 1.00 0.00 C ATOM 303 O LEU A 20 7.681 6.463 9.619 1.00 0.00 O ATOM 304 CB LEU A 20 7.306 7.990 6.747 1.00 0.00 C ATOM 305 CG LEU A 20 6.942 7.798 5.273 1.00 0.00 C ATOM 306 CD1 LEU A 20 7.827 8.663 4.391 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.065 6.335 4.877 1.00 0.00 C ATOM 0 H LEU A 20 4.955 8.661 7.186 1.00 0.00 H new ATOM 0 HA LEU A 20 6.360 6.205 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.279 9.056 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.333 7.658 6.896 1.00 0.00 H new ATOM 0 HG LEU A 20 5.906 8.106 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.555 8.515 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.691 9.712 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.870 8.384 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.802 6.219 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.091 6.001 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.391 5.735 5.488 1.00 0.00 H new ATOM 319 N VAL A 21 6.691 8.475 9.820 1.00 0.00 N ATOM 320 CA VAL A 21 7.134 8.683 11.195 1.00 0.00 C ATOM 321 C VAL A 21 6.605 7.574 12.103 1.00 0.00 C ATOM 322 O VAL A 21 7.323 7.076 12.969 1.00 0.00 O ATOM 323 CB VAL A 21 6.685 10.059 11.742 1.00 0.00 C ATOM 324 CG1 VAL A 21 7.087 10.227 13.201 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.267 11.186 10.904 1.00 0.00 C ATOM 0 H VAL A 21 6.143 9.244 9.433 1.00 0.00 H new ATOM 0 HA VAL A 21 8.224 8.659 11.188 1.00 0.00 H new ATOM 0 HB VAL A 21 5.598 10.103 11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.759 11.203 13.559 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.620 9.445 13.800 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.171 10.154 13.291 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.939 12.145 11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.355 11.135 10.931 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.924 11.088 9.874 1.00 0.00 H new ATOM 335 N VAL A 22 5.357 7.172 11.884 1.00 0.00 N ATOM 336 CA VAL A 22 4.750 6.100 12.668 1.00 0.00 C ATOM 337 C VAL A 22 5.516 4.794 12.477 1.00 0.00 C ATOM 338 O VAL A 22 5.809 4.086 13.445 1.00 0.00 O ATOM 339 CB VAL A 22 3.271 5.887 12.291 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.644 4.792 13.142 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.500 7.185 12.436 1.00 0.00 C ATOM 0 H VAL A 22 4.746 7.571 11.171 1.00 0.00 H new ATOM 0 HA VAL A 22 4.799 6.400 13.715 1.00 0.00 H new ATOM 0 HB VAL A 22 3.225 5.569 11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.600 4.662 12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.182 3.857 12.986 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.700 5.072 14.194 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.457 7.021 12.167 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.558 7.529 13.469 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.930 7.939 11.777 1.00 0.00 H new ATOM 351 N LEU A 23 5.829 4.478 11.223 1.00 0.00 N ATOM 352 CA LEU A 23 6.664 3.320 10.906 1.00 0.00 C ATOM 353 C LEU A 23 7.981 3.355 11.684 1.00 0.00 C ATOM 354 O LEU A 23 8.345 2.378 12.346 1.00 0.00 O ATOM 355 CB LEU A 23 6.947 3.268 9.403 1.00 0.00 C ATOM 356 CG LEU A 23 5.713 3.097 8.518 1.00 0.00 C ATOM 357 CD1 LEU A 23 6.093 3.193 7.050 1.00 0.00 C ATOM 358 CD2 LEU A 23 5.033 1.767 8.807 1.00 0.00 C ATOM 0 H LEU A 23 5.517 5.007 10.409 1.00 0.00 H new ATOM 0 HA LEU A 23 6.119 2.423 11.201 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.459 4.186 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.633 2.444 9.206 1.00 0.00 H new ATOM 0 HG LEU A 23 5.012 3.900 8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.202 3.069 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.538 4.168 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.813 2.411 6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.156 1.660 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.728 0.952 8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.727 1.735 9.853 1.00 0.00 H new ATOM 370 N GLU A 24 8.678 4.487 11.617 1.00 0.00 N ATOM 371 CA GLU A 24 9.953 4.648 12.313 1.00 0.00 C ATOM 372 C GLU A 24 9.790 4.564 13.831 1.00 0.00 C ATOM 373 O GLU A 24 10.650 4.016 14.522 1.00 0.00 O ATOM 374 CB GLU A 24 10.617 5.978 11.942 1.00 0.00 C ATOM 375 CG GLU A 24 11.567 5.887 10.758 1.00 0.00 C ATOM 376 CD GLU A 24 10.871 5.634 9.436 1.00 0.00 C ATOM 377 OE1 GLU A 24 10.525 4.469 9.149 1.00 0.00 O ATOM 378 OE2 GLU A 24 10.711 6.598 8.656 1.00 0.00 O ATOM 0 H GLU A 24 8.381 5.307 11.088 1.00 0.00 H new ATOM 0 HA GLU A 24 10.592 3.825 11.992 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.841 6.709 11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.165 6.352 12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.135 6.814 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.284 5.087 10.940 1.00 0.00 H new ATOM 385 N LYS A 25 8.685 5.098 14.345 1.00 0.00 N ATOM 386 CA LYS A 25 8.431 5.108 15.787 1.00 0.00 C ATOM 387 C LYS A 25 8.313 3.697 16.353 1.00 0.00 C ATOM 388 O LYS A 25 8.573 3.471 17.534 1.00 0.00 O ATOM 389 CB LYS A 25 7.156 5.892 16.115 1.00 0.00 C ATOM 390 CG LYS A 25 7.345 7.401 16.143 1.00 0.00 C ATOM 391 CD LYS A 25 6.061 8.106 16.549 1.00 0.00 C ATOM 392 CE LYS A 25 6.289 9.587 16.803 1.00 0.00 C ATOM 393 NZ LYS A 25 5.043 10.276 17.236 1.00 0.00 N ATOM 0 H LYS A 25 7.950 5.530 13.786 1.00 0.00 H new ATOM 0 HA LYS A 25 9.287 5.597 16.252 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.391 5.646 15.378 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.781 5.565 17.085 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.141 7.658 16.842 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.659 7.750 15.159 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.314 7.982 15.765 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.659 7.640 17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.056 9.710 17.568 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.666 10.057 15.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.242 11.284 17.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.319 10.181 16.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.696 9.845 18.117 1.00 0.00 H new ATOM 407 N HIS A 26 7.909 2.751 15.521 1.00 0.00 N ATOM 408 CA HIS A 26 7.772 1.371 15.965 1.00 0.00 C ATOM 409 C HIS A 26 8.910 0.511 15.442 1.00 0.00 C ATOM 410 O HIS A 26 8.931 -0.698 15.671 1.00 0.00 O ATOM 411 CB HIS A 26 6.428 0.784 15.532 1.00 0.00 C ATOM 412 CG HIS A 26 5.270 1.286 16.336 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.901 0.737 17.544 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.395 2.289 16.098 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.850 1.379 18.013 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.522 2.326 17.156 1.00 0.00 N ATOM 0 H HIS A 26 7.672 2.910 14.542 1.00 0.00 H new ATOM 0 HA HIS A 26 7.814 1.374 17.054 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.260 1.019 14.481 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.472 -0.302 15.612 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.385 2.940 15.236 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.343 1.166 18.942 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.746 2.979 17.262 1.00 0.00 H new ATOM 425 N LYS A 27 9.852 1.148 14.746 1.00 0.00 N ATOM 426 CA LYS A 27 11.016 0.457 14.192 1.00 0.00 C ATOM 427 C LYS A 27 10.585 -0.676 13.267 1.00 0.00 C ATOM 428 O LYS A 27 11.233 -1.725 13.209 1.00 0.00 O ATOM 429 CB LYS A 27 11.899 -0.093 15.316 1.00 0.00 C ATOM 430 CG LYS A 27 12.529 0.974 16.194 1.00 0.00 C ATOM 431 CD LYS A 27 13.325 1.972 15.374 1.00 0.00 C ATOM 432 CE LYS A 27 14.275 2.775 16.244 1.00 0.00 C ATOM 433 NZ LYS A 27 15.337 1.915 16.829 1.00 0.00 N ATOM 0 H LYS A 27 9.830 2.149 14.552 1.00 0.00 H new ATOM 0 HA LYS A 27 11.591 1.179 13.612 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.300 -0.755 15.942 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.691 -0.700 14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.750 1.497 16.748 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.182 0.503 16.929 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.891 1.444 14.606 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.642 2.648 14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.732 3.567 15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.716 3.259 17.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.167 2.497 17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.979 1.461 17.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.609 1.183 16.142 1.00 0.00 H new ATOM 447 N ALA A 28 9.505 -0.437 12.531 1.00 0.00 N ATOM 448 CA ALA A 28 8.908 -1.451 11.674 1.00 0.00 C ATOM 449 C ALA A 28 9.867 -1.903 10.578 1.00 0.00 C ATOM 450 O ALA A 28 10.265 -1.112 9.721 1.00 0.00 O ATOM 451 CB ALA A 28 7.619 -0.926 11.060 1.00 0.00 C ATOM 0 H ALA A 28 9.022 0.461 12.512 1.00 0.00 H new ATOM 0 HA ALA A 28 8.685 -2.318 12.295 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.182 -1.693 10.421 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.916 -0.670 11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.834 -0.038 10.466 1.00 0.00 H new ATOM 457 N PRO A 29 10.259 -3.187 10.603 1.00 0.00 N ATOM 458 CA PRO A 29 11.109 -3.766 9.567 1.00 0.00 C ATOM 459 C PRO A 29 10.375 -3.841 8.235 1.00 0.00 C ATOM 460 O PRO A 29 9.145 -3.830 8.206 1.00 0.00 O ATOM 461 CB PRO A 29 11.427 -5.169 10.096 1.00 0.00 C ATOM 462 CG PRO A 29 10.323 -5.481 11.044 1.00 0.00 C ATOM 463 CD PRO A 29 9.903 -4.167 11.644 1.00 0.00 C ATOM 0 HA PRO A 29 12.004 -3.173 9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.469 -5.897 9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.395 -5.193 10.596 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.490 -5.958 10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.657 -6.173 11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.836 -4.149 11.865 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.425 -3.967 12.580 1.00 0.00 H new ATOM 471 N THR A 30 11.129 -3.926 7.146 1.00 0.00 N ATOM 472 CA THR A 30 10.564 -3.922 5.798 1.00 0.00 C ATOM 473 C THR A 30 9.396 -4.900 5.666 1.00 0.00 C ATOM 474 O THR A 30 8.331 -4.537 5.174 1.00 0.00 O ATOM 475 CB THR A 30 11.643 -4.288 4.767 1.00 0.00 C ATOM 476 OG1 THR A 30 12.865 -3.617 5.100 1.00 0.00 O ATOM 477 CG2 THR A 30 11.208 -3.896 3.364 1.00 0.00 C ATOM 0 H THR A 30 12.146 -3.999 7.170 1.00 0.00 H new ATOM 0 HA THR A 30 10.192 -2.915 5.609 1.00 0.00 H new ATOM 0 HB THR A 30 11.795 -5.367 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.627 -4.158 4.804 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.989 -4.165 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.287 -4.421 3.109 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.036 -2.820 3.324 1.00 0.00 H new ATOM 485 N ASP A 31 9.604 -6.124 6.141 1.00 0.00 N ATOM 486 CA ASP A 31 8.601 -7.183 6.042 1.00 0.00 C ATOM 487 C ASP A 31 7.297 -6.782 6.736 1.00 0.00 C ATOM 488 O ASP A 31 6.216 -6.864 6.152 1.00 0.00 O ATOM 489 CB ASP A 31 9.160 -8.468 6.656 1.00 0.00 C ATOM 490 CG ASP A 31 8.201 -9.635 6.562 1.00 0.00 C ATOM 491 OD1 ASP A 31 8.117 -10.253 5.482 1.00 0.00 O ATOM 492 OD2 ASP A 31 7.544 -9.951 7.576 1.00 0.00 O ATOM 0 H ASP A 31 10.467 -6.410 6.603 1.00 0.00 H new ATOM 0 HA ASP A 31 8.373 -7.350 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.091 -8.729 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.403 -8.288 7.703 1.00 0.00 H new ATOM 497 N LEU A 32 7.412 -6.319 7.975 1.00 0.00 N ATOM 498 CA LEU A 32 6.243 -5.928 8.757 1.00 0.00 C ATOM 499 C LEU A 32 5.641 -4.630 8.225 1.00 0.00 C ATOM 500 O LEU A 32 4.424 -4.441 8.243 1.00 0.00 O ATOM 501 CB LEU A 32 6.628 -5.768 10.231 1.00 0.00 C ATOM 502 CG LEU A 32 5.474 -5.429 11.181 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.430 -6.536 11.170 1.00 0.00 C ATOM 504 CD2 LEU A 32 5.995 -5.208 12.590 1.00 0.00 C ATOM 0 H LEU A 32 8.302 -6.205 8.460 1.00 0.00 H new ATOM 0 HA LEU A 32 5.492 -6.713 8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.094 -6.693 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.382 -4.984 10.309 1.00 0.00 H new ATOM 0 HG LEU A 32 5.004 -4.508 10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.619 -6.278 11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.034 -6.653 10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.888 -7.472 11.491 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.163 -4.968 13.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.489 -6.114 12.941 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.707 -4.383 12.589 1.00 0.00 H new ATOM 516 N SER A 33 6.501 -3.742 7.748 1.00 0.00 N ATOM 517 CA SER A 33 6.064 -2.463 7.210 1.00 0.00 C ATOM 518 C SER A 33 5.226 -2.673 5.949 1.00 0.00 C ATOM 519 O SER A 33 4.193 -2.025 5.768 1.00 0.00 O ATOM 520 CB SER A 33 7.279 -1.579 6.913 1.00 0.00 C ATOM 521 OG SER A 33 6.892 -0.251 6.612 1.00 0.00 O ATOM 0 H SER A 33 7.511 -3.885 7.723 1.00 0.00 H new ATOM 0 HA SER A 33 5.441 -1.961 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.949 -1.578 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.837 -1.995 6.075 1.00 0.00 H new ATOM 0 HG SER A 33 7.655 0.350 6.742 1.00 0.00 H new ATOM 527 N LEU A 34 5.667 -3.593 5.092 1.00 0.00 N ATOM 528 CA LEU A 34 4.918 -3.936 3.888 1.00 0.00 C ATOM 529 C LEU A 34 3.568 -4.537 4.260 1.00 0.00 C ATOM 530 O LEU A 34 2.555 -4.251 3.622 1.00 0.00 O ATOM 531 CB LEU A 34 5.703 -4.927 3.022 1.00 0.00 C ATOM 532 CG LEU A 34 6.997 -4.388 2.407 1.00 0.00 C ATOM 533 CD1 LEU A 34 7.751 -5.504 1.699 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.696 -3.255 1.438 1.00 0.00 C ATOM 0 H LEU A 34 6.537 -4.112 5.210 1.00 0.00 H new ATOM 0 HA LEU A 34 4.759 -3.022 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.946 -5.799 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.054 -5.271 2.216 1.00 0.00 H new ATOM 0 HG LEU A 34 7.624 -3.998 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.669 -5.106 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.998 -6.288 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.127 -5.919 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.628 -2.884 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.051 -3.621 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.193 -2.446 1.969 1.00 0.00 H new ATOM 546 N MET A 35 3.564 -5.357 5.307 1.00 0.00 N ATOM 547 CA MET A 35 2.338 -5.978 5.792 1.00 0.00 C ATOM 548 C MET A 35 1.363 -4.914 6.281 1.00 0.00 C ATOM 549 O MET A 35 0.187 -4.938 5.931 1.00 0.00 O ATOM 550 CB MET A 35 2.639 -6.956 6.931 1.00 0.00 C ATOM 551 CG MET A 35 1.440 -7.786 7.365 1.00 0.00 C ATOM 552 SD MET A 35 1.797 -8.823 8.797 1.00 0.00 S ATOM 553 CE MET A 35 3.159 -9.812 8.179 1.00 0.00 C ATOM 0 H MET A 35 4.399 -5.607 5.836 1.00 0.00 H new ATOM 0 HA MET A 35 1.888 -6.527 4.965 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.439 -7.627 6.618 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.010 -6.396 7.789 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.609 -7.121 7.600 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.119 -8.416 6.535 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.291 -10.687 8.815 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.942 -10.134 7.160 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.073 -9.217 8.185 1.00 0.00 H new ATOM 563 N ALA A 36 1.865 -3.981 7.084 1.00 0.00 N ATOM 564 CA ALA A 36 1.041 -2.909 7.631 1.00 0.00 C ATOM 565 C ALA A 36 0.445 -2.052 6.519 1.00 0.00 C ATOM 566 O ALA A 36 -0.775 -1.937 6.404 1.00 0.00 O ATOM 567 CB ALA A 36 1.853 -2.050 8.588 1.00 0.00 C ATOM 0 H ALA A 36 2.843 -3.946 7.371 1.00 0.00 H new ATOM 0 HA ALA A 36 0.218 -3.364 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.223 -1.255 8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.221 -2.667 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.697 -1.611 8.056 1.00 0.00 H new ATOM 573 N LEU A 37 1.315 -1.456 5.709 1.00 0.00 N ATOM 574 CA LEU A 37 0.889 -0.629 4.583 1.00 0.00 C ATOM 575 C LEU A 37 -0.053 -1.382 3.646 1.00 0.00 C ATOM 576 O LEU A 37 -1.133 -0.889 3.322 1.00 0.00 O ATOM 577 CB LEU A 37 2.103 -0.126 3.796 1.00 0.00 C ATOM 578 CG LEU A 37 2.682 1.213 4.258 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.631 2.305 4.149 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.213 1.121 5.681 1.00 0.00 C ATOM 0 H LEU A 37 2.327 -1.531 5.812 1.00 0.00 H new ATOM 0 HA LEU A 37 0.346 0.220 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.888 -0.880 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.822 -0.037 2.747 1.00 0.00 H new ATOM 0 HG LEU A 37 3.519 1.465 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.055 3.253 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.307 2.396 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.776 2.051 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.618 2.087 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.403 0.842 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.999 0.368 5.728 1.00 0.00 H new ATOM 592 N GLY A 38 0.354 -2.575 3.225 1.00 0.00 N ATOM 593 CA GLY A 38 -0.449 -3.350 2.297 1.00 0.00 C ATOM 594 C GLY A 38 -1.813 -3.698 2.859 1.00 0.00 C ATOM 595 O GLY A 38 -2.817 -3.668 2.143 1.00 0.00 O ATOM 0 H GLY A 38 1.227 -3.019 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.574 -2.787 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.080 -4.268 2.043 1.00 0.00 H new ATOM 599 N ASN A 39 -1.851 -4.014 4.145 1.00 0.00 N ATOM 600 CA ASN A 39 -3.098 -4.358 4.813 1.00 0.00 C ATOM 601 C ASN A 39 -4.015 -3.141 4.854 1.00 0.00 C ATOM 602 O ASN A 39 -5.221 -3.259 4.665 1.00 0.00 O ATOM 603 CB ASN A 39 -2.811 -4.864 6.227 1.00 0.00 C ATOM 604 CG ASN A 39 -3.922 -5.726 6.805 1.00 0.00 C ATOM 605 OD1 ASN A 39 -5.106 -5.514 6.542 1.00 0.00 O ATOM 606 ND2 ASN A 39 -3.536 -6.720 7.593 1.00 0.00 N ATOM 0 H ASN A 39 -1.029 -4.039 4.749 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.597 -5.152 4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.885 -5.439 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.648 -4.009 6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.230 -7.343 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.545 -6.862 7.786 1.00 0.00 H new ATOM 613 N CYS A 40 -3.429 -1.965 5.068 1.00 0.00 N ATOM 614 CA CYS A 40 -4.188 -0.719 5.062 1.00 0.00 C ATOM 615 C CYS A 40 -4.793 -0.470 3.683 1.00 0.00 C ATOM 616 O CYS A 40 -5.960 -0.091 3.568 1.00 0.00 O ATOM 617 CB CYS A 40 -3.299 0.460 5.461 1.00 0.00 C ATOM 618 SG CYS A 40 -2.568 0.308 7.106 1.00 0.00 S ATOM 0 H CYS A 40 -2.432 -1.850 5.248 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.993 -0.810 5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.499 0.563 4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.888 1.376 5.420 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.552 -0.502 7.056 1.00 0.00 H new ATOM 624 N VAL A 41 -3.996 -0.699 2.642 1.00 0.00 N ATOM 625 CA VAL A 41 -4.453 -0.548 1.263 1.00 0.00 C ATOM 626 C VAL A 41 -5.662 -1.445 1.000 1.00 0.00 C ATOM 627 O VAL A 41 -6.680 -0.998 0.470 1.00 0.00 O ATOM 628 CB VAL A 41 -3.326 -0.890 0.258 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.812 -0.785 -1.181 1.00 0.00 C ATOM 630 CG2 VAL A 41 -2.123 0.015 0.475 1.00 0.00 C ATOM 0 H VAL A 41 -3.023 -0.992 2.729 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.739 0.494 1.122 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.027 -1.923 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.996 -1.032 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.637 -1.480 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.152 0.232 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.342 -0.241 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.419 1.054 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.745 -0.119 1.488 1.00 0.00 H new ATOM 640 N THR A 42 -5.554 -2.700 1.410 1.00 0.00 N ATOM 641 CA THR A 42 -6.627 -3.662 1.207 1.00 0.00 C ATOM 642 C THR A 42 -7.822 -3.327 2.105 1.00 0.00 C ATOM 643 O THR A 42 -8.979 -3.531 1.736 1.00 0.00 O ATOM 644 CB THR A 42 -6.144 -5.098 1.507 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.777 -5.254 1.097 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.994 -6.123 0.769 1.00 0.00 C ATOM 0 H THR A 42 -4.734 -3.076 1.886 1.00 0.00 H new ATOM 0 HA THR A 42 -6.933 -3.605 0.163 1.00 0.00 H new ATOM 0 HB THR A 42 -6.234 -5.263 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.198 -4.721 1.680 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.634 -7.126 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.033 -6.030 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.925 -5.948 -0.305 1.00 0.00 H new ATOM 654 N HIS A 43 -7.526 -2.784 3.280 1.00 0.00 N ATOM 655 CA HIS A 43 -8.544 -2.442 4.267 1.00 0.00 C ATOM 656 C HIS A 43 -9.411 -1.277 3.788 1.00 0.00 C ATOM 657 O HIS A 43 -10.616 -1.244 4.042 1.00 0.00 O ATOM 658 CB HIS A 43 -7.874 -2.088 5.601 1.00 0.00 C ATOM 659 CG HIS A 43 -8.828 -1.886 6.737 1.00 0.00 C ATOM 660 ND1 HIS A 43 -9.313 -2.924 7.500 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.384 -0.759 7.241 1.00 0.00 C ATOM 662 CE1 HIS A 43 -10.130 -2.446 8.421 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.189 -1.136 8.284 1.00 0.00 N ATOM 0 H HIS A 43 -6.574 -2.568 3.576 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.192 -3.308 4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.176 -2.882 5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.287 -1.179 5.469 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.223 0.249 6.887 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.659 -3.029 9.160 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.744 -0.505 8.861 1.00 0.00 H new ATOM 672 N LEU A 44 -8.794 -0.319 3.106 1.00 0.00 N ATOM 673 CA LEU A 44 -9.520 0.843 2.603 1.00 0.00 C ATOM 674 C LEU A 44 -10.459 0.452 1.472 1.00 0.00 C ATOM 675 O LEU A 44 -11.530 1.034 1.322 1.00 0.00 O ATOM 676 CB LEU A 44 -8.553 1.930 2.128 1.00 0.00 C ATOM 677 CG LEU A 44 -7.735 2.601 3.233 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.850 3.688 2.646 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.654 3.177 4.302 1.00 0.00 C ATOM 0 H LEU A 44 -7.797 -0.323 2.889 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.114 1.241 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.866 1.492 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.123 2.697 1.603 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.098 1.850 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.273 4.157 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.170 3.249 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.471 4.439 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.055 3.650 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.316 3.917 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.250 2.376 4.740 1.00 0.00 H new ATOM 691 N LEU A 45 -10.064 -0.548 0.695 1.00 0.00 N ATOM 692 CA LEU A 45 -10.881 -1.018 -0.417 1.00 0.00 C ATOM 693 C LEU A 45 -12.234 -1.518 0.073 1.00 0.00 C ATOM 694 O LEU A 45 -13.258 -1.290 -0.563 1.00 0.00 O ATOM 695 CB LEU A 45 -10.154 -2.127 -1.183 1.00 0.00 C ATOM 696 CG LEU A 45 -8.880 -1.684 -1.903 1.00 0.00 C ATOM 697 CD1 LEU A 45 -8.201 -2.868 -2.571 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.200 -0.611 -2.928 1.00 0.00 C ATOM 0 H LEU A 45 -9.184 -1.049 0.814 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.050 -0.177 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.901 -2.925 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.840 -2.551 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.195 -1.269 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.297 -2.531 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.939 -3.610 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.879 -3.314 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.284 -0.305 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.903 -1.006 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.643 0.250 -2.427 1.00 0.00 H new ATOM 710 N GLU A 46 -12.234 -2.177 1.219 1.00 0.00 N ATOM 711 CA GLU A 46 -13.454 -2.726 1.790 1.00 0.00 C ATOM 712 C GLU A 46 -14.390 -1.629 2.295 1.00 0.00 C ATOM 713 O GLU A 46 -15.596 -1.661 2.039 1.00 0.00 O ATOM 714 CB GLU A 46 -13.115 -3.673 2.943 1.00 0.00 C ATOM 715 CG GLU A 46 -12.405 -4.942 2.507 1.00 0.00 C ATOM 716 CD GLU A 46 -13.290 -5.846 1.676 1.00 0.00 C ATOM 717 OE1 GLU A 46 -14.168 -6.521 2.257 1.00 0.00 O ATOM 718 OE2 GLU A 46 -13.105 -5.898 0.442 1.00 0.00 O ATOM 0 H GLU A 46 -11.397 -2.346 1.777 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.967 -3.272 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.487 -3.145 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.035 -3.943 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.518 -4.678 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.063 -5.484 3.389 1.00 0.00 H new ATOM 725 N ARG A 47 -13.832 -0.653 2.997 1.00 0.00 N ATOM 726 CA ARG A 47 -14.642 0.306 3.740 1.00 0.00 C ATOM 727 C ARG A 47 -14.817 1.640 3.017 1.00 0.00 C ATOM 728 O ARG A 47 -15.596 2.482 3.463 1.00 0.00 O ATOM 729 CB ARG A 47 -14.024 0.551 5.119 1.00 0.00 C ATOM 730 CG ARG A 47 -13.984 -0.684 6.013 1.00 0.00 C ATOM 731 CD ARG A 47 -15.367 -1.073 6.531 1.00 0.00 C ATOM 732 NE ARG A 47 -16.288 -1.452 5.458 1.00 0.00 N ATOM 733 CZ ARG A 47 -16.856 -2.651 5.343 1.00 0.00 C ATOM 734 NH1 ARG A 47 -16.591 -3.612 6.221 1.00 0.00 N ATOM 735 NH2 ARG A 47 -17.693 -2.883 4.345 1.00 0.00 N ATOM 0 H ARG A 47 -12.826 -0.503 3.069 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.634 -0.136 3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.008 0.925 4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.589 1.334 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.560 -1.519 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.322 -0.496 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.268 -1.904 7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.790 -0.237 7.088 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.509 -0.751 4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.947 -3.435 6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.031 -4.527 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.899 -2.146 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.132 -3.799 4.250 1.00 0.00 H new ATOM 749 N LYS A 48 -14.096 1.849 1.928 1.00 0.00 N ATOM 750 CA LYS A 48 -14.172 3.128 1.220 1.00 0.00 C ATOM 751 C LYS A 48 -14.383 2.945 -0.281 1.00 0.00 C ATOM 752 O LYS A 48 -14.620 3.916 -0.999 1.00 0.00 O ATOM 753 CB LYS A 48 -12.901 3.944 1.479 1.00 0.00 C ATOM 754 CG LYS A 48 -12.805 4.472 2.902 1.00 0.00 C ATOM 755 CD LYS A 48 -13.697 5.688 3.104 1.00 0.00 C ATOM 756 CE LYS A 48 -14.120 5.835 4.558 1.00 0.00 C ATOM 757 NZ LYS A 48 -15.202 4.879 4.917 1.00 0.00 N ATOM 0 H LYS A 48 -13.460 1.166 1.516 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.038 3.666 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.030 3.323 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.869 4.783 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.092 3.688 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.771 4.736 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.167 6.586 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.582 5.600 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.259 5.670 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.462 6.855 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.057 4.539 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.123 5.357 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.183 4.072 4.262 1.00 0.00 H new ATOM 771 N VAL A 49 -14.299 1.706 -0.750 1.00 0.00 N ATOM 772 CA VAL A 49 -14.448 1.419 -2.174 1.00 0.00 C ATOM 773 C VAL A 49 -15.566 0.396 -2.404 1.00 0.00 C ATOM 774 O VAL A 49 -15.674 -0.592 -1.674 1.00 0.00 O ATOM 775 CB VAL A 49 -13.123 0.880 -2.770 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.263 0.606 -4.262 1.00 0.00 C ATOM 777 CG2 VAL A 49 -11.981 1.852 -2.514 1.00 0.00 C ATOM 0 H VAL A 49 -14.129 0.885 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.707 2.351 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.894 -0.062 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.318 0.229 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.045 -0.136 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.527 1.529 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.061 1.453 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.210 2.812 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.853 1.988 -1.440 1.00 0.00 H new ATOM 787 N PRO A 50 -16.435 0.641 -3.403 1.00 0.00 N ATOM 788 CA PRO A 50 -17.475 -0.320 -3.793 1.00 0.00 C ATOM 789 C PRO A 50 -16.872 -1.657 -4.218 1.00 0.00 C ATOM 790 O PRO A 50 -15.824 -1.691 -4.861 1.00 0.00 O ATOM 791 CB PRO A 50 -18.171 0.355 -4.981 1.00 0.00 C ATOM 792 CG PRO A 50 -17.852 1.805 -4.840 1.00 0.00 C ATOM 793 CD PRO A 50 -16.489 1.868 -4.214 1.00 0.00 C ATOM 0 HA PRO A 50 -18.153 -0.549 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -17.805 -0.039 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.247 0.183 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.860 2.303 -5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.591 2.309 -4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.701 1.888 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.368 2.761 -3.601 1.00 0.00 H new ATOM 801 N SER A 51 -17.542 -2.751 -3.869 1.00 0.00 N ATOM 802 CA SER A 51 -17.020 -4.093 -4.114 1.00 0.00 C ATOM 803 C SER A 51 -16.695 -4.327 -5.588 1.00 0.00 C ATOM 804 O SER A 51 -15.665 -4.918 -5.919 1.00 0.00 O ATOM 805 CB SER A 51 -18.015 -5.138 -3.604 1.00 0.00 C ATOM 806 OG SER A 51 -19.355 -4.762 -3.896 1.00 0.00 O ATOM 0 H SER A 51 -18.454 -2.734 -3.412 1.00 0.00 H new ATOM 0 HA SER A 51 -16.082 -4.191 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.798 -6.103 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.896 -5.261 -2.528 1.00 0.00 H new ATOM 0 HG SER A 51 -19.968 -5.449 -3.560 1.00 0.00 H new ATOM 812 N GLU A 52 -17.552 -3.828 -6.467 1.00 0.00 N ATOM 813 CA GLU A 52 -17.373 -4.002 -7.904 1.00 0.00 C ATOM 814 C GLU A 52 -16.130 -3.252 -8.395 1.00 0.00 C ATOM 815 O GLU A 52 -15.498 -3.644 -9.377 1.00 0.00 O ATOM 816 CB GLU A 52 -18.627 -3.511 -8.631 1.00 0.00 C ATOM 817 CG GLU A 52 -18.640 -3.790 -10.124 1.00 0.00 C ATOM 818 CD GLU A 52 -19.971 -3.441 -10.760 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.169 -2.273 -11.140 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.836 -4.339 -10.869 1.00 0.00 O ATOM 0 H GLU A 52 -18.383 -3.296 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.224 -5.060 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.501 -3.980 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.725 -2.437 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.848 -3.217 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -18.422 -4.844 -10.297 1.00 0.00 H new ATOM 827 N SER A 53 -15.767 -2.192 -7.683 1.00 0.00 N ATOM 828 CA SER A 53 -14.633 -1.364 -8.065 1.00 0.00 C ATOM 829 C SER A 53 -13.346 -1.805 -7.365 1.00 0.00 C ATOM 830 O SER A 53 -12.248 -1.511 -7.838 1.00 0.00 O ATOM 831 CB SER A 53 -14.924 0.099 -7.733 1.00 0.00 C ATOM 832 OG SER A 53 -16.133 0.523 -8.335 1.00 0.00 O ATOM 0 H SER A 53 -16.244 -1.886 -6.835 1.00 0.00 H new ATOM 0 HA SER A 53 -14.486 -1.479 -9.139 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.988 0.225 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.102 0.725 -8.079 1.00 0.00 H new ATOM 0 HG SER A 53 -16.300 1.462 -8.108 1.00 0.00 H new ATOM 838 N ARG A 54 -13.488 -2.514 -6.242 1.00 0.00 N ATOM 839 CA ARG A 54 -12.338 -2.947 -5.439 1.00 0.00 C ATOM 840 C ARG A 54 -11.288 -3.656 -6.288 1.00 0.00 C ATOM 841 O ARG A 54 -10.101 -3.337 -6.212 1.00 0.00 O ATOM 842 CB ARG A 54 -12.779 -3.880 -4.306 1.00 0.00 C ATOM 843 CG ARG A 54 -13.615 -3.204 -3.234 1.00 0.00 C ATOM 844 CD ARG A 54 -14.036 -4.187 -2.152 1.00 0.00 C ATOM 845 NE ARG A 54 -15.020 -3.607 -1.239 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.892 -4.329 -0.533 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.841 -5.658 -0.571 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.786 -3.724 0.239 1.00 0.00 N ATOM 0 H ARG A 54 -14.391 -2.802 -5.866 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.895 -2.045 -5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.351 -4.705 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.893 -4.313 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.045 -2.390 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.501 -2.760 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.454 -5.080 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.159 -4.502 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.041 -2.592 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.135 -6.125 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.508 -6.210 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.807 -2.706 0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.452 -4.277 0.778 1.00 0.00 H new ATOM 862 N GLN A 55 -11.731 -4.606 -7.106 1.00 0.00 N ATOM 863 CA GLN A 55 -10.817 -5.394 -7.927 1.00 0.00 C ATOM 864 C GLN A 55 -10.076 -4.513 -8.930 1.00 0.00 C ATOM 865 O GLN A 55 -8.896 -4.726 -9.201 1.00 0.00 O ATOM 866 CB GLN A 55 -11.570 -6.504 -8.663 1.00 0.00 C ATOM 867 CG GLN A 55 -12.273 -7.489 -7.739 1.00 0.00 C ATOM 868 CD GLN A 55 -12.936 -8.620 -8.500 1.00 0.00 C ATOM 869 OE1 GLN A 55 -13.346 -8.450 -9.649 1.00 0.00 O ATOM 870 NE2 GLN A 55 -13.049 -9.780 -7.868 1.00 0.00 N ATOM 0 H GLN A 55 -12.715 -4.849 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.084 -5.847 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.308 -6.052 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.868 -7.050 -9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.551 -7.902 -7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.024 -6.960 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.696 -9.879 -6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.489 -10.574 -8.334 1.00 0.00 H new ATOM 879 N ALA A 56 -10.767 -3.513 -9.464 1.00 0.00 N ATOM 880 CA ALA A 56 -10.165 -2.619 -10.438 1.00 0.00 C ATOM 881 C ALA A 56 -9.164 -1.690 -9.766 1.00 0.00 C ATOM 882 O ALA A 56 -8.073 -1.473 -10.284 1.00 0.00 O ATOM 883 CB ALA A 56 -11.228 -1.819 -11.171 1.00 0.00 C ATOM 0 H ALA A 56 -11.740 -3.304 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.634 -3.226 -11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.751 -1.158 -11.894 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.902 -2.500 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.795 -1.225 -10.454 1.00 0.00 H new ATOM 889 N VAL A 57 -9.528 -1.160 -8.601 1.00 0.00 N ATOM 890 CA VAL A 57 -8.627 -0.294 -7.848 1.00 0.00 C ATOM 891 C VAL A 57 -7.376 -1.066 -7.440 1.00 0.00 C ATOM 892 O VAL A 57 -6.273 -0.524 -7.444 1.00 0.00 O ATOM 893 CB VAL A 57 -9.294 0.300 -6.586 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.323 1.201 -5.838 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.548 1.076 -6.946 1.00 0.00 C ATOM 0 H VAL A 57 -10.435 -1.314 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.362 0.534 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.575 -0.530 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.813 1.609 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.450 0.623 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.010 2.018 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.997 1.483 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.290 1.892 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.259 0.411 -7.436 1.00 0.00 H new ATOM 905 N ALA A 58 -7.556 -2.337 -7.101 1.00 0.00 N ATOM 906 CA ALA A 58 -6.431 -3.207 -6.785 1.00 0.00 C ATOM 907 C ALA A 58 -5.494 -3.324 -7.984 1.00 0.00 C ATOM 908 O ALA A 58 -4.271 -3.279 -7.839 1.00 0.00 O ATOM 909 CB ALA A 58 -6.924 -4.581 -6.353 1.00 0.00 C ATOM 0 H ALA A 58 -8.469 -2.787 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.876 -2.767 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.070 -5.218 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.553 -4.480 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.503 -5.030 -7.160 1.00 0.00 H new ATOM 915 N GLU A 59 -6.078 -3.457 -9.170 1.00 0.00 N ATOM 916 CA GLU A 59 -5.305 -3.518 -10.402 1.00 0.00 C ATOM 917 C GLU A 59 -4.626 -2.179 -10.678 1.00 0.00 C ATOM 918 O GLU A 59 -3.447 -2.132 -11.029 1.00 0.00 O ATOM 919 CB GLU A 59 -6.203 -3.919 -11.578 1.00 0.00 C ATOM 920 CG GLU A 59 -5.514 -3.810 -12.928 1.00 0.00 C ATOM 921 CD GLU A 59 -6.311 -4.429 -14.056 1.00 0.00 C ATOM 922 OE1 GLU A 59 -7.207 -3.752 -14.600 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.031 -5.592 -14.420 1.00 0.00 O ATOM 0 H GLU A 59 -7.087 -3.525 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.530 -4.276 -10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.542 -4.945 -11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.091 -3.287 -11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.334 -2.759 -13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.540 -4.295 -12.872 1.00 0.00 H new ATOM 930 N GLN A 60 -5.373 -1.095 -10.508 1.00 0.00 N ATOM 931 CA GLN A 60 -4.841 0.249 -10.706 1.00 0.00 C ATOM 932 C GLN A 60 -3.699 0.528 -9.735 1.00 0.00 C ATOM 933 O GLN A 60 -2.693 1.143 -10.100 1.00 0.00 O ATOM 934 CB GLN A 60 -5.945 1.292 -10.532 1.00 0.00 C ATOM 935 CG GLN A 60 -7.049 1.174 -11.567 1.00 0.00 C ATOM 936 CD GLN A 60 -8.192 2.139 -11.325 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.490 2.500 -10.185 1.00 0.00 O ATOM 938 NE2 GLN A 60 -8.844 2.554 -12.397 1.00 0.00 N ATOM 0 H GLN A 60 -6.355 -1.120 -10.232 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.453 0.313 -11.723 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.377 1.191 -9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.507 2.288 -10.590 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.632 1.355 -12.558 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.435 0.154 -11.564 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.563 2.229 -13.322 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.628 3.199 -12.299 1.00 0.00 H new ATOM 947 N PHE A 61 -3.861 0.070 -8.499 1.00 0.00 N ATOM 948 CA PHE A 61 -2.821 0.199 -7.488 1.00 0.00 C ATOM 949 C PHE A 61 -1.594 -0.601 -7.903 1.00 0.00 C ATOM 950 O PHE A 61 -0.468 -0.113 -7.817 1.00 0.00 O ATOM 951 CB PHE A 61 -3.329 -0.284 -6.126 1.00 0.00 C ATOM 952 CG PHE A 61 -2.354 -0.062 -5.001 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.370 1.121 -4.280 1.00 0.00 C ATOM 954 CD2 PHE A 61 -1.423 -1.033 -4.666 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.478 1.329 -3.245 1.00 0.00 C ATOM 956 CE2 PHE A 61 -0.528 -0.829 -3.634 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.553 0.354 -2.923 1.00 0.00 C ATOM 0 H PHE A 61 -4.708 -0.396 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.549 1.251 -7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.261 0.230 -5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.559 -1.347 -6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.087 1.889 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.397 -1.960 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.504 2.254 -2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.191 -1.595 -3.383 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.148 0.517 -2.118 1.00 0.00 H new ATOM 967 N ALA A 62 -1.825 -1.829 -8.357 1.00 0.00 N ATOM 968 CA ALA A 62 -0.752 -2.685 -8.837 1.00 0.00 C ATOM 969 C ALA A 62 -0.002 -2.013 -9.980 1.00 0.00 C ATOM 970 O ALA A 62 1.230 -2.024 -10.016 1.00 0.00 O ATOM 971 CB ALA A 62 -1.305 -4.030 -9.283 1.00 0.00 C ATOM 0 H ALA A 62 -2.752 -2.253 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.053 -2.852 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.489 -4.659 -9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.798 -4.518 -8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.025 -3.879 -10.088 1.00 0.00 H new ATOM 977 N LYS A 63 -0.756 -1.419 -10.901 1.00 0.00 N ATOM 978 CA LYS A 63 -0.177 -0.677 -12.011 1.00 0.00 C ATOM 979 C LYS A 63 0.713 0.445 -11.503 1.00 0.00 C ATOM 980 O LYS A 63 1.876 0.526 -11.872 1.00 0.00 O ATOM 981 CB LYS A 63 -1.272 -0.093 -12.905 1.00 0.00 C ATOM 982 CG LYS A 63 -2.022 -1.134 -13.713 1.00 0.00 C ATOM 983 CD LYS A 63 -3.095 -0.495 -14.578 1.00 0.00 C ATOM 984 CE LYS A 63 -3.719 -1.504 -15.525 1.00 0.00 C ATOM 985 NZ LYS A 63 -2.718 -2.080 -16.459 1.00 0.00 N ATOM 0 H LYS A 63 -1.776 -1.439 -10.898 1.00 0.00 H new ATOM 0 HA LYS A 63 0.425 -1.373 -12.595 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.983 0.453 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.824 0.630 -13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.322 -1.681 -14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.479 -1.860 -13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.868 -0.065 -13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.662 0.324 -15.151 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.181 -2.306 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.513 -1.023 -16.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.206 -2.501 -17.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.078 -1.329 -16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.168 -2.814 -15.969 1.00 0.00 H new ATOM 999 N ALA A 64 0.163 1.293 -10.642 1.00 0.00 N ATOM 1000 CA ALA A 64 0.903 2.433 -10.107 1.00 0.00 C ATOM 1001 C ALA A 64 2.153 1.981 -9.356 1.00 0.00 C ATOM 1002 O ALA A 64 3.223 2.580 -9.485 1.00 0.00 O ATOM 1003 CB ALA A 64 0.012 3.260 -9.192 1.00 0.00 C ATOM 0 H ALA A 64 -0.794 1.214 -10.298 1.00 0.00 H new ATOM 0 HA ALA A 64 1.219 3.050 -10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.577 4.106 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.847 3.626 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.334 2.641 -8.364 1.00 0.00 H new ATOM 1009 N LEU A 65 2.008 0.913 -8.584 1.00 0.00 N ATOM 1010 CA LEU A 65 3.105 0.369 -7.792 1.00 0.00 C ATOM 1011 C LEU A 65 4.225 -0.134 -8.706 1.00 0.00 C ATOM 1012 O LEU A 65 5.374 0.321 -8.622 1.00 0.00 O ATOM 1013 CB LEU A 65 2.582 -0.779 -6.920 1.00 0.00 C ATOM 1014 CG LEU A 65 3.341 -1.026 -5.616 1.00 0.00 C ATOM 1015 CD1 LEU A 65 3.131 0.132 -4.653 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.885 -2.328 -4.979 1.00 0.00 C ATOM 0 H LEU A 65 1.131 0.400 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 65 3.509 1.155 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.538 -0.579 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.603 -1.696 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 65 4.404 -1.101 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.678 -0.059 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.496 1.053 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.069 0.233 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.434 -2.491 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.818 -2.274 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.076 -3.154 -5.664 1.00 0.00 H new ATOM 1028 N ALA A 66 3.873 -1.053 -9.601 1.00 0.00 N ATOM 1029 CA ALA A 66 4.834 -1.638 -10.527 1.00 0.00 C ATOM 1030 C ALA A 66 5.418 -0.572 -11.443 1.00 0.00 C ATOM 1031 O ALA A 66 6.608 -0.600 -11.765 1.00 0.00 O ATOM 1032 CB ALA A 66 4.179 -2.741 -11.344 1.00 0.00 C ATOM 0 H ALA A 66 2.923 -1.409 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 66 5.648 -2.072 -9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.910 -3.168 -12.031 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.811 -3.519 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.346 -2.327 -11.912 1.00 0.00 H new ATOM 1038 N GLN A 67 4.576 0.371 -11.854 1.00 0.00 N ATOM 1039 CA GLN A 67 5.012 1.474 -12.695 1.00 0.00 C ATOM 1040 C GLN A 67 6.079 2.285 -11.979 1.00 0.00 C ATOM 1041 O GLN A 67 7.116 2.589 -12.557 1.00 0.00 O ATOM 1042 CB GLN A 67 3.831 2.378 -13.063 1.00 0.00 C ATOM 1043 CG GLN A 67 4.186 3.492 -14.034 1.00 0.00 C ATOM 1044 CD GLN A 67 3.031 4.446 -14.269 1.00 0.00 C ATOM 1045 OE1 GLN A 67 2.216 4.246 -15.169 1.00 0.00 O ATOM 1046 NE2 GLN A 67 2.966 5.496 -13.467 1.00 0.00 N ATOM 0 H GLN A 67 3.584 0.391 -11.616 1.00 0.00 H new ATOM 0 HA GLN A 67 5.430 1.060 -13.613 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.041 1.767 -13.500 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.426 2.819 -12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.040 4.048 -13.647 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.493 3.057 -14.985 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.664 5.622 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.218 6.180 -13.582 1.00 0.00 H new ATOM 1055 N SER A 68 5.836 2.601 -10.713 1.00 0.00 N ATOM 1056 CA SER A 68 6.776 3.392 -9.927 1.00 0.00 C ATOM 1057 C SER A 68 8.149 2.729 -9.892 1.00 0.00 C ATOM 1058 O SER A 68 9.177 3.404 -9.945 1.00 0.00 O ATOM 1059 CB SER A 68 6.249 3.588 -8.505 1.00 0.00 C ATOM 1060 OG SER A 68 5.064 4.367 -8.502 1.00 0.00 O ATOM 0 H SER A 68 4.995 2.322 -10.208 1.00 0.00 H new ATOM 0 HA SER A 68 6.878 4.367 -10.403 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.051 2.617 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.010 4.076 -7.896 1.00 0.00 H new ATOM 0 HG SER A 68 4.309 3.815 -8.795 1.00 0.00 H new ATOM 1066 N VAL A 69 8.157 1.406 -9.817 1.00 0.00 N ATOM 1067 CA VAL A 69 9.406 0.655 -9.809 1.00 0.00 C ATOM 1068 C VAL A 69 10.038 0.600 -11.205 1.00 0.00 C ATOM 1069 O VAL A 69 11.216 0.913 -11.379 1.00 0.00 O ATOM 1070 CB VAL A 69 9.184 -0.782 -9.288 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.489 -1.565 -9.284 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.568 -0.760 -7.896 1.00 0.00 C ATOM 0 H VAL A 69 7.316 0.831 -9.761 1.00 0.00 H new ATOM 0 HA VAL A 69 10.088 1.178 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 69 8.490 -1.283 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.307 -2.574 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.885 -1.617 -10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.211 -1.066 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.420 -1.782 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.235 -0.236 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.608 -0.246 -7.931 1.00 0.00 H new ATOM 1082 N LYS A 70 9.244 0.228 -12.202 1.00 0.00 N ATOM 1083 CA LYS A 70 9.770 -0.027 -13.542 1.00 0.00 C ATOM 1084 C LYS A 70 10.049 1.260 -14.322 1.00 0.00 C ATOM 1085 O LYS A 70 11.045 1.344 -15.043 1.00 0.00 O ATOM 1086 CB LYS A 70 8.814 -0.929 -14.325 1.00 0.00 C ATOM 1087 CG LYS A 70 8.695 -2.325 -13.733 1.00 0.00 C ATOM 1088 CD LYS A 70 7.791 -3.218 -14.562 1.00 0.00 C ATOM 1089 CE LYS A 70 7.705 -4.613 -13.959 1.00 0.00 C ATOM 1090 NZ LYS A 70 6.848 -5.520 -14.763 1.00 0.00 N ATOM 0 H LYS A 70 8.237 0.096 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 70 10.727 -0.534 -13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.827 -0.467 -14.352 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.159 -1.006 -15.356 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.685 -2.775 -13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.305 -2.256 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.794 -2.780 -14.620 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.171 -3.281 -15.582 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.707 -5.036 -13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.309 -4.545 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.819 -6.458 -14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.885 -5.131 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.239 -5.607 -15.723 1.00 0.00 H new ATOM 1392 N SER B 8 4.132 -10.084 17.127 1.00 0.00 N ATOM 1393 CA SER B 8 2.891 -10.266 17.853 1.00 0.00 C ATOM 1394 C SER B 8 1.737 -9.690 17.039 1.00 0.00 C ATOM 1395 O SER B 8 1.862 -8.606 16.465 1.00 0.00 O ATOM 1396 CB SER B 8 2.967 -9.584 19.222 1.00 0.00 C ATOM 1397 OG SER B 8 1.738 -9.695 19.918 1.00 0.00 O ATOM 0 HA SER B 8 2.723 -11.331 18.011 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.764 -10.035 19.812 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.222 -8.532 19.094 1.00 0.00 H new ATOM 0 HG SER B 8 1.814 -9.253 20.789 1.00 0.00 H new ATOM 1403 N ASN B 9 0.624 -10.418 16.984 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.561 -9.959 16.259 1.00 0.00 C ATOM 1405 C ASN B 9 -1.007 -8.594 16.766 1.00 0.00 C ATOM 1406 O ASN B 9 -1.400 -7.727 15.982 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.704 -10.973 16.389 1.00 0.00 C ATOM 1408 CG ASN B 9 -3.053 -10.380 16.018 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -3.794 -9.912 16.884 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -3.377 -10.382 14.735 1.00 0.00 N ATOM 0 H ASN B 9 0.517 -11.328 17.432 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.298 -9.868 15.205 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.499 -11.831 15.748 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.743 -11.343 17.414 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -4.267 -9.987 14.433 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.736 -10.779 14.048 1.00 0.00 H new ATOM 1417 N THR B 10 -0.918 -8.402 18.075 1.00 0.00 N ATOM 1418 CA THR B 10 -1.287 -7.139 18.689 1.00 0.00 C ATOM 1419 C THR B 10 -0.413 -6.007 18.152 1.00 0.00 C ATOM 1420 O THR B 10 -0.885 -4.892 17.942 1.00 0.00 O ATOM 1421 CB THR B 10 -1.154 -7.222 20.221 1.00 0.00 C ATOM 1422 OG1 THR B 10 -1.825 -8.399 20.689 1.00 0.00 O ATOM 1423 CG2 THR B 10 -1.746 -5.993 20.900 1.00 0.00 C ATOM 0 H THR B 10 -0.592 -9.110 18.733 1.00 0.00 H new ATOM 0 HA THR B 10 -2.327 -6.931 18.438 1.00 0.00 H new ATOM 0 HB THR B 10 -0.094 -7.266 20.471 1.00 0.00 H new ATOM 0 HG1 THR B 10 -1.742 -8.457 21.664 1.00 0.00 H new ATOM 0 HG21 THR B 10 -1.635 -6.085 21.980 1.00 0.00 H new ATOM 0 HG22 THR B 10 -1.223 -5.100 20.556 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.804 -5.913 20.650 1.00 0.00 H new ATOM 1431 N GLN B 11 0.858 -6.309 17.906 1.00 0.00 N ATOM 1432 CA GLN B 11 1.786 -5.329 17.360 1.00 0.00 C ATOM 1433 C GLN B 11 1.454 -5.048 15.900 1.00 0.00 C ATOM 1434 O GLN B 11 1.360 -3.892 15.489 1.00 0.00 O ATOM 1435 CB GLN B 11 3.229 -5.824 17.478 1.00 0.00 C ATOM 1436 CG GLN B 11 4.258 -4.839 16.943 1.00 0.00 C ATOM 1437 CD GLN B 11 5.670 -5.382 17.001 1.00 0.00 C ATOM 1438 OE1 GLN B 11 6.374 -5.216 17.994 1.00 0.00 O ATOM 1439 NE2 GLN B 11 6.095 -6.033 15.933 1.00 0.00 N ATOM 0 H GLN B 11 1.268 -7.227 18.077 1.00 0.00 H new ATOM 0 HA GLN B 11 1.686 -4.408 17.934 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.448 -6.032 18.525 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.326 -6.766 16.939 1.00 0.00 H new ATOM 0 HG2 GLN B 11 4.012 -4.587 15.912 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.204 -3.915 17.519 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.479 -6.150 15.128 1.00 0.00 H new ATOM 0 HE22 GLN B 11 7.039 -6.419 15.913 1.00 0.00 H new ATOM 1448 N VAL B 12 1.258 -6.119 15.135 1.00 0.00 N ATOM 1449 CA VAL B 12 0.967 -6.013 13.709 1.00 0.00 C ATOM 1450 C VAL B 12 -0.220 -5.090 13.451 1.00 0.00 C ATOM 1451 O VAL B 12 -0.107 -4.110 12.712 1.00 0.00 O ATOM 1452 CB VAL B 12 0.669 -7.399 13.091 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.321 -7.272 11.615 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.852 -8.336 13.280 1.00 0.00 C ATOM 0 H VAL B 12 1.296 -7.077 15.483 1.00 0.00 H new ATOM 0 HA VAL B 12 1.856 -5.594 13.238 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.192 -7.821 13.609 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.116 -8.260 11.203 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.561 -6.641 11.502 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.159 -6.823 11.081 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.622 -9.306 12.838 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.731 -7.915 12.793 1.00 0.00 H new ATOM 0 HG23 VAL B 12 2.051 -8.460 14.344 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.346 -5.391 14.079 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.562 -4.630 13.848 1.00 0.00 C ATOM 1466 C GLU B 13 -2.533 -3.286 14.570 1.00 0.00 C ATOM 1467 O GLU B 13 -3.285 -2.379 14.215 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.789 -5.448 14.246 1.00 0.00 C ATOM 1469 CG GLU B 13 -3.987 -6.673 13.366 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.309 -7.372 13.606 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.361 -6.776 13.309 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -5.304 -8.527 14.081 1.00 0.00 O ATOM 0 H GLU B 13 -1.442 -6.154 14.750 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.625 -4.417 12.781 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.689 -5.764 15.284 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.676 -4.817 14.189 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -3.926 -6.374 12.319 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -3.174 -7.376 13.545 1.00 0.00 H new ATOM 1479 N SER B 14 -1.661 -3.147 15.566 1.00 0.00 N ATOM 1480 CA SER B 14 -1.467 -1.857 16.218 1.00 0.00 C ATOM 1481 C SER B 14 -0.878 -0.873 15.221 1.00 0.00 C ATOM 1482 O SER B 14 -1.334 0.263 15.114 1.00 0.00 O ATOM 1483 CB SER B 14 -0.543 -1.981 17.434 1.00 0.00 C ATOM 1484 OG SER B 14 -0.468 -0.761 18.156 1.00 0.00 O ATOM 0 H SER B 14 -1.084 -3.903 15.935 1.00 0.00 H new ATOM 0 HA SER B 14 -2.435 -1.498 16.567 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.907 -2.772 18.090 1.00 0.00 H new ATOM 0 HB3 SER B 14 0.455 -2.273 17.106 1.00 0.00 H new ATOM 0 HG SER B 14 0.020 -0.097 17.626 1.00 0.00 H new ATOM 1490 N LEU B 15 0.131 -1.325 14.480 1.00 0.00 N ATOM 1491 CA LEU B 15 0.744 -0.504 13.445 1.00 0.00 C ATOM 1492 C LEU B 15 -0.288 -0.116 12.398 1.00 0.00 C ATOM 1493 O LEU B 15 -0.446 1.062 12.095 1.00 0.00 O ATOM 1494 CB LEU B 15 1.921 -1.234 12.782 1.00 0.00 C ATOM 1495 CG LEU B 15 3.290 -1.029 13.443 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.290 -1.525 14.879 1.00 0.00 C ATOM 1497 CD2 LEU B 15 4.373 -1.730 12.642 1.00 0.00 C ATOM 0 H LEU B 15 0.539 -2.254 14.579 1.00 0.00 H new ATOM 0 HA LEU B 15 1.128 0.400 13.917 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.701 -2.301 12.769 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.987 -0.909 11.744 1.00 0.00 H new ATOM 0 HG LEU B 15 3.498 0.041 13.458 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.274 -1.365 15.319 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.543 -0.977 15.453 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.053 -2.589 14.897 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.339 -1.576 13.123 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.157 -2.797 12.595 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.401 -1.321 11.632 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.001 -1.113 11.876 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.047 -0.887 10.877 1.00 0.00 C ATOM 1511 C ILE B 16 -3.027 0.182 11.353 1.00 0.00 C ATOM 1512 O ILE B 16 -3.333 1.130 10.629 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.824 -2.192 10.586 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.862 -3.283 10.110 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.919 -1.951 9.551 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.500 -4.651 9.998 1.00 0.00 C ATOM 0 H ILE B 16 -0.872 -2.092 12.130 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.559 -0.549 9.963 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.300 -2.525 11.508 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.458 -3.000 9.138 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.021 -3.340 10.801 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.452 -2.883 9.362 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.617 -1.203 9.927 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.471 -1.595 8.623 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.758 -5.372 9.655 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -2.879 -4.956 10.973 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.323 -4.611 9.285 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.493 0.032 12.586 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.422 0.982 13.173 1.00 0.00 C ATOM 1530 C ALA B 17 -3.799 2.368 13.271 1.00 0.00 C ATOM 1531 O ALA B 17 -4.411 3.353 12.874 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.871 0.504 14.546 1.00 0.00 C ATOM 0 H ALA B 17 -3.240 -0.743 13.199 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.294 1.049 12.522 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.567 1.226 14.973 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.365 -0.463 14.451 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.004 0.406 15.199 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.572 2.437 13.775 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.901 3.715 13.987 1.00 0.00 C ATOM 1540 C GLU B 18 -1.661 4.466 12.677 1.00 0.00 C ATOM 1541 O GLU B 18 -1.777 5.691 12.642 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.590 3.514 14.747 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.800 3.186 16.216 1.00 0.00 C ATOM 1544 CD GLU B 18 0.491 2.885 16.942 1.00 0.00 C ATOM 1545 OE1 GLU B 18 1.304 3.816 17.140 1.00 0.00 O ATOM 1546 OE2 GLU B 18 0.698 1.718 17.336 1.00 0.00 O ATOM 0 H GLU B 18 -2.021 1.622 14.045 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.565 4.333 14.591 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.024 2.709 14.278 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.014 4.418 14.665 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.298 4.025 16.703 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.467 2.328 16.300 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.341 3.745 11.601 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.174 4.385 10.295 1.00 0.00 C ATOM 1555 C ILE B 19 -2.489 5.055 9.900 1.00 0.00 C ATOM 1556 O ILE B 19 -2.513 6.207 9.454 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.779 3.388 9.173 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.295 2.396 9.634 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.274 4.155 7.958 1.00 0.00 C ATOM 1560 CD1 ILE B 19 1.672 2.995 9.816 1.00 0.00 C ATOM 0 H ILE B 19 -1.194 2.736 11.606 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.363 5.107 10.396 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.670 2.816 8.914 1.00 0.00 H new ATOM 0 HG12 ILE B 19 -0.021 1.952 10.578 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.359 1.587 8.907 1.00 0.00 H new ATOM 0 HG21 ILE B 19 0.002 3.451 7.173 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.060 4.816 7.593 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.597 4.747 8.238 1.00 0.00 H new ATOM 0 HD11 ILE B 19 2.365 2.220 10.143 1.00 0.00 H new ATOM 0 HD12 ILE B 19 2.015 3.413 8.870 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.629 3.784 10.567 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.583 4.327 10.104 1.00 0.00 N ATOM 1573 CA LEU B 20 -4.918 4.825 9.793 1.00 0.00 C ATOM 1574 C LEU B 20 -5.310 5.967 10.728 1.00 0.00 C ATOM 1575 O LEU B 20 -5.946 6.927 10.304 1.00 0.00 O ATOM 1576 CB LEU B 20 -5.947 3.695 9.890 1.00 0.00 C ATOM 1577 CG LEU B 20 -5.728 2.527 8.928 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -6.748 1.429 9.186 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -5.805 3.001 7.483 1.00 0.00 C ATOM 0 H LEU B 20 -3.569 3.382 10.487 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.903 5.206 8.772 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -5.944 3.310 10.910 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -6.938 4.112 9.710 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.732 2.120 9.101 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.579 0.605 8.493 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.644 1.069 10.210 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -7.753 1.825 9.040 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.647 2.155 6.814 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.787 3.434 7.294 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.036 3.753 7.305 1.00 0.00 H new ATOM 1591 N VAL B 21 -4.924 5.859 11.999 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.203 6.900 12.986 1.00 0.00 C ATOM 1593 C VAL B 21 -4.624 8.244 12.544 1.00 0.00 C ATOM 1594 O VAL B 21 -5.254 9.291 12.713 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.645 6.527 14.383 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -4.727 7.703 15.346 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.397 5.334 14.951 1.00 0.00 C ATOM 0 H VAL B 21 -4.415 5.057 12.370 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.287 6.986 13.060 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.594 6.263 14.262 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.328 7.407 16.316 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.145 8.537 14.953 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -5.767 8.008 15.460 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -4.994 5.084 15.932 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.454 5.582 15.045 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.283 4.480 14.283 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.434 8.204 11.957 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.795 9.412 11.451 1.00 0.00 C ATOM 1609 C VAL B 22 -3.569 9.963 10.259 1.00 0.00 C ATOM 1610 O VAL B 22 -3.784 11.170 10.147 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.327 9.156 11.046 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.658 10.439 10.584 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.561 8.558 12.208 1.00 0.00 C ATOM 0 H VAL B 22 -2.893 7.350 11.820 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.800 10.145 12.258 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.322 8.451 10.215 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.375 10.231 10.305 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.193 10.839 9.723 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.675 11.170 11.393 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.473 8.382 11.910 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.583 9.248 13.052 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.021 7.613 12.499 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.005 9.071 9.380 1.00 0.00 N ATOM 1624 CA LEU B 23 -4.793 9.466 8.219 1.00 0.00 C ATOM 1625 C LEU B 23 -6.158 9.994 8.647 1.00 0.00 C ATOM 1626 O LEU B 23 -6.728 10.859 7.985 1.00 0.00 O ATOM 1627 CB LEU B 23 -4.963 8.291 7.255 1.00 0.00 C ATOM 1628 CG LEU B 23 -3.670 7.757 6.642 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -3.953 6.534 5.784 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -2.986 8.838 5.816 1.00 0.00 C ATOM 0 H LEU B 23 -3.827 8.069 9.448 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.257 10.264 7.705 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.458 7.477 7.784 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -5.629 8.598 6.448 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.001 7.464 7.451 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.021 6.167 5.355 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.402 5.754 6.399 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.640 6.803 4.982 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.066 8.441 5.387 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.651 9.159 5.015 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -2.750 9.689 6.455 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.668 9.468 9.755 1.00 0.00 N ATOM 1643 CA GLU B 24 -7.924 9.934 10.334 1.00 0.00 C ATOM 1644 C GLU B 24 -7.818 11.408 10.712 1.00 0.00 C ATOM 1645 O GLU B 24 -8.725 12.197 10.449 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.266 9.110 11.576 1.00 0.00 C ATOM 1647 CG GLU B 24 -9.597 9.478 12.205 1.00 0.00 C ATOM 1648 CD GLU B 24 -9.704 9.020 13.642 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -9.912 7.813 13.878 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -9.564 9.867 14.548 1.00 0.00 O ATOM 0 H GLU B 24 -6.226 8.710 10.275 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.714 9.813 9.593 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.281 8.054 11.308 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.476 9.240 12.316 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.730 10.559 12.161 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.405 9.033 11.624 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.692 11.776 11.317 1.00 0.00 N ATOM 1658 CA LYS B 25 -6.444 13.164 11.704 1.00 0.00 C ATOM 1659 C LYS B 25 -6.307 14.041 10.463 1.00 0.00 C ATOM 1660 O LYS B 25 -6.461 15.261 10.524 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.177 13.269 12.557 1.00 0.00 C ATOM 1662 CG LYS B 25 -5.172 12.351 13.769 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.938 12.572 14.627 1.00 0.00 C ATOM 1664 CE LYS B 25 -3.782 11.493 15.692 1.00 0.00 C ATOM 1665 NZ LYS B 25 -4.961 11.405 16.596 1.00 0.00 N ATOM 0 H LYS B 25 -5.936 11.133 11.551 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.292 13.511 12.295 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -4.312 13.038 11.935 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.062 14.299 12.893 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -6.068 12.528 14.365 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.207 11.312 13.441 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.052 12.585 13.992 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -4.000 13.549 15.107 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.628 10.529 15.207 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.890 11.698 16.284 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -4.782 10.692 17.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.126 12.330 17.043 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -5.800 11.132 16.046 1.00 0.00 H new ATOM 1679 N HIS B 26 -6.020 13.402 9.337 1.00 0.00 N ATOM 1680 CA HIS B 26 -5.882 14.104 8.067 1.00 0.00 C ATOM 1681 C HIS B 26 -7.234 14.208 7.374 1.00 0.00 C ATOM 1682 O HIS B 26 -7.451 15.104 6.561 1.00 0.00 O ATOM 1683 CB HIS B 26 -4.898 13.373 7.146 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.513 13.249 7.697 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.680 12.190 7.410 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -2.807 14.068 8.505 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -1.523 12.368 8.018 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -1.574 13.499 8.690 1.00 0.00 N ATOM 0 H HIS B 26 -5.878 12.394 9.277 1.00 0.00 H new ATOM 0 HA HIS B 26 -5.499 15.103 8.274 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -5.285 12.375 6.940 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -4.851 13.900 6.193 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.151 15.000 8.928 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.677 11.699 7.972 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -0.820 13.888 9.256 1.00 0.00 H new ATOM 1697 N LYS B 27 -8.132 13.280 7.713 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.434 13.163 7.061 1.00 0.00 C ATOM 1699 C LYS B 27 -9.255 12.967 5.558 1.00 0.00 C ATOM 1700 O LYS B 27 -10.045 13.463 4.751 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.308 14.389 7.344 1.00 0.00 C ATOM 1702 CG LYS B 27 -10.570 14.621 8.825 1.00 0.00 C ATOM 1703 CD LYS B 27 -11.647 15.672 9.057 1.00 0.00 C ATOM 1704 CE LYS B 27 -13.054 15.096 8.930 1.00 0.00 C ATOM 1705 NZ LYS B 27 -13.397 14.694 7.538 1.00 0.00 N ATOM 0 H LYS B 27 -7.975 12.590 8.447 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.942 12.290 7.471 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -9.826 15.273 6.926 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.261 14.272 6.829 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.873 13.683 9.291 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -9.647 14.935 9.312 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -11.522 16.104 10.050 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.522 16.482 8.338 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.146 14.230 9.585 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.776 15.836 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.431 14.685 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.981 15.372 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.019 13.744 7.348 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.224 12.210 5.204 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.865 11.989 3.811 1.00 0.00 C ATOM 1721 C ALA B 28 -8.917 11.156 3.089 1.00 0.00 C ATOM 1722 O ALA B 28 -9.261 10.061 3.529 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.506 11.310 3.723 1.00 0.00 C ATOM 0 H ALA B 28 -7.617 11.735 5.871 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.814 12.961 3.319 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.247 11.149 2.677 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.752 11.943 4.190 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.545 10.351 4.239 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.441 11.675 1.969 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.410 10.956 1.141 1.00 0.00 C ATOM 1731 C PRO B 29 -9.805 9.707 0.509 1.00 0.00 C ATOM 1732 O PRO B 29 -8.585 9.530 0.513 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.794 11.975 0.064 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.664 12.945 0.028 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.137 13.012 1.432 1.00 0.00 C ATOM 0 HA PRO B 29 -11.261 10.601 1.722 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.931 11.493 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.733 12.472 0.308 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.889 12.617 -0.665 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.001 13.925 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.067 13.220 1.451 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.625 13.798 2.008 1.00 0.00 H new ATOM 1743 N THR B 30 -10.661 8.853 -0.039 1.00 0.00 N ATOM 1744 CA THR B 30 -10.240 7.576 -0.604 1.00 0.00 C ATOM 1745 C THR B 30 -9.117 7.739 -1.631 1.00 0.00 C ATOM 1746 O THR B 30 -8.113 7.027 -1.585 1.00 0.00 O ATOM 1747 CB THR B 30 -11.435 6.864 -1.265 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.554 6.876 -0.367 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.088 5.426 -1.623 1.00 0.00 C ATOM 0 H THR B 30 -11.664 9.025 -0.104 1.00 0.00 H new ATOM 0 HA THR B 30 -9.857 6.975 0.221 1.00 0.00 H new ATOM 0 HB THR B 30 -11.686 7.395 -2.183 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.316 6.425 -0.787 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.951 4.949 -2.088 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.249 5.417 -2.319 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.815 4.882 -0.719 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.273 8.695 -2.537 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.301 8.900 -3.609 1.00 0.00 C ATOM 1759 C ASP B 31 -6.961 9.396 -3.063 1.00 0.00 C ATOM 1760 O ASP B 31 -5.900 8.984 -3.533 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.849 9.881 -4.657 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.080 11.282 -4.113 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -9.856 11.431 -3.144 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -8.520 12.243 -4.677 1.00 0.00 O ATOM 0 H ASP B 31 -10.062 9.342 -2.553 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.130 7.936 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.151 9.935 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.789 9.493 -5.050 1.00 0.00 H new ATOM 1769 N LEU B 32 -7.010 10.255 -2.055 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.798 10.829 -1.486 1.00 0.00 C ATOM 1771 C LEU B 32 -5.077 9.820 -0.594 1.00 0.00 C ATOM 1772 O LEU B 32 -3.848 9.724 -0.616 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.131 12.099 -0.696 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.933 12.817 -0.069 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.918 13.203 -1.134 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.396 14.050 0.689 1.00 0.00 C ATOM 0 H LEU B 32 -7.874 10.570 -1.614 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.130 11.090 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.643 12.795 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.833 11.840 0.097 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.452 12.134 0.631 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.075 13.712 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.564 12.306 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.387 13.869 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.534 14.551 1.130 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.900 14.731 0.003 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.086 13.754 1.479 1.00 0.00 H new ATOM 1788 N SER B 33 -5.841 9.060 0.181 1.00 0.00 N ATOM 1789 CA SER B 33 -5.262 8.077 1.085 1.00 0.00 C ATOM 1790 C SER B 33 -4.584 6.955 0.303 1.00 0.00 C ATOM 1791 O SER B 33 -3.442 6.591 0.591 1.00 0.00 O ATOM 1792 CB SER B 33 -6.333 7.518 2.024 1.00 0.00 C ATOM 1793 OG SER B 33 -7.503 7.157 1.311 1.00 0.00 O ATOM 0 H SER B 33 -6.860 9.106 0.201 1.00 0.00 H new ATOM 0 HA SER B 33 -4.502 8.571 1.690 1.00 0.00 H new ATOM 0 HB2 SER B 33 -5.941 6.647 2.549 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.581 8.262 2.781 1.00 0.00 H new ATOM 0 HG SER B 33 -8.027 7.961 1.114 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.280 6.431 -0.703 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.729 5.379 -1.551 1.00 0.00 C ATOM 1801 C LEU B 34 -3.482 5.866 -2.283 1.00 0.00 C ATOM 1802 O LEU B 34 -2.523 5.117 -2.457 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.775 4.902 -2.566 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.965 4.139 -1.976 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.995 3.846 -3.056 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.501 2.845 -1.327 1.00 0.00 C ATOM 0 H LEU B 34 -6.227 6.718 -0.950 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.451 4.543 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.154 5.770 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.281 4.262 -3.297 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.428 4.763 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.834 3.303 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.351 4.783 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.539 3.241 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.360 2.317 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.014 2.218 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.795 3.071 -0.528 1.00 0.00 H new ATOM 1818 N MET B 35 -3.495 7.128 -2.699 1.00 0.00 N ATOM 1819 CA MET B 35 -2.361 7.707 -3.412 1.00 0.00 C ATOM 1820 C MET B 35 -1.145 7.822 -2.494 1.00 0.00 C ATOM 1821 O MET B 35 -0.014 7.553 -2.905 1.00 0.00 O ATOM 1822 CB MET B 35 -2.734 9.079 -3.976 1.00 0.00 C ATOM 1823 CG MET B 35 -1.664 9.691 -4.870 1.00 0.00 C ATOM 1824 SD MET B 35 -2.223 11.202 -5.681 1.00 0.00 S ATOM 1825 CE MET B 35 -3.640 10.581 -6.584 1.00 0.00 C ATOM 0 H MET B 35 -4.276 7.768 -2.555 1.00 0.00 H new ATOM 0 HA MET B 35 -2.103 7.046 -4.239 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.660 8.988 -4.544 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.934 9.759 -3.148 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.778 9.909 -4.274 1.00 0.00 H new ATOM 0 HG3 MET B 35 -1.368 8.964 -5.627 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.830 11.220 -7.447 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.439 9.564 -6.922 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.514 10.581 -5.933 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.378 8.214 -1.247 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.296 8.325 -0.282 1.00 0.00 C ATOM 1837 C ALA B 36 0.212 6.950 0.133 1.00 0.00 C ATOM 1838 O ALA B 36 1.415 6.748 0.281 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.729 9.122 0.928 1.00 0.00 C ATOM 0 H ALA B 36 -2.300 8.458 -0.884 1.00 0.00 H new ATOM 0 HA ALA B 36 0.525 8.857 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA B 36 0.099 9.190 1.634 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.024 10.124 0.617 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.574 8.627 1.406 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.695 6.000 0.303 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.293 4.637 0.623 1.00 0.00 C ATOM 1847 C LEU B 37 0.479 4.034 -0.540 1.00 0.00 C ATOM 1848 O LEU B 37 1.476 3.344 -0.342 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.502 3.762 0.954 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.289 4.175 2.197 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -3.352 3.141 2.510 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -1.362 4.360 3.388 1.00 0.00 C ATOM 0 H LEU B 37 -1.702 6.143 0.226 1.00 0.00 H new ATOM 0 HA LEU B 37 0.348 4.675 1.504 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.178 3.767 0.099 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.161 2.735 1.085 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.775 5.129 1.994 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -3.906 3.446 3.398 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -4.037 3.056 1.666 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -2.879 2.176 2.692 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.945 4.654 4.261 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.845 3.423 3.596 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.630 5.136 3.163 1.00 0.00 H new ATOM 1864 N GLY B 38 0.020 4.327 -1.752 1.00 0.00 N ATOM 1865 CA GLY B 38 0.677 3.835 -2.947 1.00 0.00 C ATOM 1866 C GLY B 38 2.133 4.243 -3.021 1.00 0.00 C ATOM 1867 O GLY B 38 2.999 3.429 -3.347 1.00 0.00 O ATOM 0 H GLY B 38 -0.804 4.902 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.606 2.748 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.153 4.211 -3.826 1.00 0.00 H new ATOM 1871 N ASN B 39 2.419 5.498 -2.699 1.00 0.00 N ATOM 1872 CA ASN B 39 3.786 5.977 -2.761 1.00 0.00 C ATOM 1873 C ASN B 39 4.546 5.550 -1.511 1.00 0.00 C ATOM 1874 O ASN B 39 5.763 5.413 -1.539 1.00 0.00 O ATOM 1875 CB ASN B 39 3.844 7.502 -2.943 1.00 0.00 C ATOM 1876 CG ASN B 39 3.669 8.279 -1.659 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.620 8.490 -0.911 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.460 8.748 -1.424 1.00 0.00 N ATOM 0 H ASN B 39 1.733 6.190 -2.397 1.00 0.00 H new ATOM 0 HA ASN B 39 4.262 5.530 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN B 39 4.802 7.769 -3.390 1.00 0.00 H new ATOM 0 HB3 ASN B 39 3.069 7.804 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.284 9.312 -0.592 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.700 8.547 -2.074 1.00 0.00 H new ATOM 1885 N CYS B 40 3.813 5.318 -0.424 1.00 0.00 N ATOM 1886 CA CYS B 40 4.414 4.891 0.832 1.00 0.00 C ATOM 1887 C CYS B 40 4.930 3.458 0.724 1.00 0.00 C ATOM 1888 O CYS B 40 6.040 3.155 1.160 1.00 0.00 O ATOM 1889 CB CYS B 40 3.397 5.002 1.973 1.00 0.00 C ATOM 1890 SG CYS B 40 4.085 4.704 3.620 1.00 0.00 S ATOM 0 H CYS B 40 2.799 5.420 -0.391 1.00 0.00 H new ATOM 0 HA CYS B 40 5.258 5.546 1.048 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.954 5.998 1.953 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.591 4.290 1.795 1.00 0.00 H new ATOM 0 HG CYS B 40 3.207 5.028 4.522 1.00 0.00 H new ATOM 1896 N VAL B 41 4.123 2.584 0.131 1.00 0.00 N ATOM 1897 CA VAL B 41 4.516 1.193 -0.074 1.00 0.00 C ATOM 1898 C VAL B 41 5.761 1.118 -0.958 1.00 0.00 C ATOM 1899 O VAL B 41 6.711 0.392 -0.654 1.00 0.00 O ATOM 1900 CB VAL B 41 3.370 0.369 -0.708 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.804 -1.066 -0.978 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.140 0.386 0.186 1.00 0.00 C ATOM 0 H VAL B 41 3.192 2.814 -0.217 1.00 0.00 H new ATOM 0 HA VAL B 41 4.741 0.765 0.903 1.00 0.00 H new ATOM 0 HB VAL B 41 3.118 0.832 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL B 41 2.977 -1.619 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.652 -1.067 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.095 -1.541 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.345 -0.199 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.389 -0.044 1.156 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.803 1.414 0.321 1.00 0.00 H new ATOM 1912 N THR B 42 5.765 1.895 -2.036 1.00 0.00 N ATOM 1913 CA THR B 42 6.910 1.941 -2.935 1.00 0.00 C ATOM 1914 C THR B 42 8.108 2.589 -2.236 1.00 0.00 C ATOM 1915 O THR B 42 9.258 2.211 -2.463 1.00 0.00 O ATOM 1916 CB THR B 42 6.570 2.728 -4.215 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.254 2.378 -4.664 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.569 2.421 -5.320 1.00 0.00 C ATOM 0 H THR B 42 4.990 2.500 -2.307 1.00 0.00 H new ATOM 0 HA THR B 42 7.164 0.918 -3.211 1.00 0.00 H new ATOM 0 HB THR B 42 6.615 3.792 -3.983 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.590 2.908 -4.176 1.00 0.00 H new ATOM 0 HG21 THR B 42 7.309 2.988 -6.214 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.571 2.699 -4.993 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.545 1.355 -5.547 1.00 0.00 H new ATOM 1926 N HIS B 43 7.817 3.541 -1.353 1.00 0.00 N ATOM 1927 CA HIS B 43 8.845 4.273 -0.617 1.00 0.00 C ATOM 1928 C HIS B 43 9.626 3.329 0.294 1.00 0.00 C ATOM 1929 O HIS B 43 10.795 3.562 0.593 1.00 0.00 O ATOM 1930 CB HIS B 43 8.194 5.387 0.210 1.00 0.00 C ATOM 1931 CG HIS B 43 9.137 6.463 0.651 1.00 0.00 C ATOM 1932 ND1 HIS B 43 9.416 7.571 -0.116 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.850 6.610 1.791 1.00 0.00 C ATOM 1934 CE1 HIS B 43 10.259 8.351 0.529 1.00 0.00 C ATOM 1935 NE2 HIS B 43 10.542 7.792 1.690 1.00 0.00 N ATOM 0 H HIS B 43 6.864 3.826 -1.128 1.00 0.00 H new ATOM 0 HA HIS B 43 9.541 4.715 -1.330 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.395 5.839 -0.378 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.730 4.944 1.091 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.871 5.925 2.626 1.00 0.00 H new ATOM 0 HE1 HIS B 43 10.652 9.290 0.168 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.171 8.175 2.396 1.00 0.00 H new ATOM 1944 N LEU B 44 8.963 2.266 0.731 1.00 0.00 N ATOM 1945 CA LEU B 44 9.597 1.251 1.562 1.00 0.00 C ATOM 1946 C LEU B 44 10.579 0.431 0.734 1.00 0.00 C ATOM 1947 O LEU B 44 11.694 0.142 1.176 1.00 0.00 O ATOM 1948 CB LEU B 44 8.535 0.338 2.175 1.00 0.00 C ATOM 1949 CG LEU B 44 7.463 1.058 2.992 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.376 0.085 3.414 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.082 1.730 4.210 1.00 0.00 C ATOM 0 H LEU B 44 7.981 2.084 0.522 1.00 0.00 H new ATOM 0 HA LEU B 44 10.144 1.745 2.365 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.048 -0.218 1.374 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.030 -0.392 2.815 1.00 0.00 H new ATOM 0 HG LEU B 44 7.012 1.829 2.367 1.00 0.00 H new ATOM 0 HD11 LEU B 44 5.620 0.613 3.995 1.00 0.00 H new ATOM 0 HD12 LEU B 44 5.914 -0.351 2.528 1.00 0.00 H new ATOM 0 HD13 LEU B 44 6.813 -0.707 4.022 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.304 2.238 4.780 1.00 0.00 H new ATOM 0 HD22 LEU B 44 8.559 0.977 4.838 1.00 0.00 H new ATOM 0 HD23 LEU B 44 8.827 2.457 3.885 1.00 0.00 H new ATOM 1963 N LEU B 45 10.155 0.079 -0.476 1.00 0.00 N ATOM 1964 CA LEU B 45 10.984 -0.687 -1.400 1.00 0.00 C ATOM 1965 C LEU B 45 12.237 0.094 -1.780 1.00 0.00 C ATOM 1966 O LEU B 45 13.343 -0.442 -1.767 1.00 0.00 O ATOM 1967 CB LEU B 45 10.189 -1.036 -2.660 1.00 0.00 C ATOM 1968 CG LEU B 45 9.022 -1.998 -2.450 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.221 -2.146 -3.732 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.530 -3.352 -1.987 1.00 0.00 C ATOM 0 H LEU B 45 9.233 0.315 -0.842 1.00 0.00 H new ATOM 0 HA LEU B 45 11.287 -1.607 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.804 -0.113 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.871 -1.472 -3.391 1.00 0.00 H new ATOM 0 HG LEU B 45 8.370 -1.588 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.393 -2.835 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.830 -1.174 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.865 -2.536 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.686 -4.027 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.200 -3.766 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.068 -3.236 -1.046 1.00 0.00 H new ATOM 1982 N GLU B 46 12.049 1.370 -2.094 1.00 0.00 N ATOM 1983 CA GLU B 46 13.149 2.252 -2.482 1.00 0.00 C ATOM 1984 C GLU B 46 14.122 2.470 -1.319 1.00 0.00 C ATOM 1985 O GLU B 46 15.246 2.939 -1.513 1.00 0.00 O ATOM 1986 CB GLU B 46 12.590 3.606 -2.936 1.00 0.00 C ATOM 1987 CG GLU B 46 11.634 3.526 -4.121 1.00 0.00 C ATOM 1988 CD GLU B 46 12.345 3.498 -5.460 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.724 4.583 -5.950 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.517 2.403 -6.032 1.00 0.00 O ATOM 0 H GLU B 46 11.135 1.823 -2.088 1.00 0.00 H new ATOM 0 HA GLU B 46 13.690 1.778 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.072 4.071 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.422 4.259 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU B 46 11.019 2.631 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.958 4.381 -4.093 1.00 0.00 H new ATOM 1997 N ARG B 47 13.684 2.124 -0.113 1.00 0.00 N ATOM 1998 CA ARG B 47 14.459 2.395 1.092 1.00 0.00 C ATOM 1999 C ARG B 47 15.284 1.187 1.535 1.00 0.00 C ATOM 2000 O ARG B 47 16.490 1.298 1.741 1.00 0.00 O ATOM 2001 CB ARG B 47 13.525 2.833 2.226 1.00 0.00 C ATOM 2002 CG ARG B 47 14.251 3.198 3.511 1.00 0.00 C ATOM 2003 CD ARG B 47 13.295 3.729 4.571 1.00 0.00 C ATOM 2004 NE ARG B 47 12.342 2.713 5.031 1.00 0.00 N ATOM 2005 CZ ARG B 47 11.628 2.826 6.156 1.00 0.00 C ATOM 2006 NH1 ARG B 47 11.761 3.902 6.920 1.00 0.00 N ATOM 2007 NH2 ARG B 47 10.780 1.868 6.517 1.00 0.00 N ATOM 0 H ARG B 47 12.794 1.654 0.056 1.00 0.00 H new ATOM 0 HA ARG B 47 15.158 3.198 0.856 1.00 0.00 H new ATOM 0 HB2 ARG B 47 12.941 3.691 1.893 1.00 0.00 H new ATOM 0 HB3 ARG B 47 12.819 2.029 2.434 1.00 0.00 H new ATOM 0 HG2 ARG B 47 14.770 2.321 3.897 1.00 0.00 H new ATOM 0 HG3 ARG B 47 15.011 3.950 3.298 1.00 0.00 H new ATOM 0 HD2 ARG B 47 13.869 4.095 5.422 1.00 0.00 H new ATOM 0 HD3 ARG B 47 12.746 4.580 4.167 1.00 0.00 H new ATOM 0 HE ARG B 47 12.217 1.876 4.462 1.00 0.00 H new ATOM 0 HH11 ARG B 47 12.408 4.643 6.649 1.00 0.00 H new ATOM 0 HH12 ARG B 47 11.217 3.989 7.778 1.00 0.00 H new ATOM 0 HH21 ARG B 47 10.670 1.038 5.934 1.00 0.00 H new ATOM 0 HH22 ARG B 47 10.240 1.963 7.377 1.00 0.00 H new ATOM 2021 N LYS B 48 14.640 0.034 1.686 1.00 0.00 N ATOM 2022 CA LYS B 48 15.300 -1.119 2.296 1.00 0.00 C ATOM 2023 C LYS B 48 15.351 -2.336 1.377 1.00 0.00 C ATOM 2024 O LYS B 48 15.739 -3.420 1.812 1.00 0.00 O ATOM 2025 CB LYS B 48 14.596 -1.496 3.600 1.00 0.00 C ATOM 2026 CG LYS B 48 14.989 -0.640 4.794 1.00 0.00 C ATOM 2027 CD LYS B 48 16.443 -0.867 5.180 1.00 0.00 C ATOM 2028 CE LYS B 48 16.782 -0.199 6.502 1.00 0.00 C ATOM 2029 NZ LYS B 48 18.188 -0.457 6.909 1.00 0.00 N ATOM 0 H LYS B 48 13.675 -0.128 1.399 1.00 0.00 H new ATOM 0 HA LYS B 48 16.330 -0.820 2.491 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.519 -1.420 3.453 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.814 -2.539 3.828 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.833 0.412 4.557 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.344 -0.875 5.641 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.638 -1.937 5.252 1.00 0.00 H new ATOM 0 HD3 LYS B 48 17.093 -0.476 4.397 1.00 0.00 H new ATOM 0 HE2 LYS B 48 16.620 0.876 6.418 1.00 0.00 H new ATOM 0 HE3 LYS B 48 16.107 -0.564 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 18.379 0.016 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 18.337 -1.481 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 18.833 -0.086 6.182 1.00 0.00 H new ATOM 2043 N VAL B 49 14.956 -2.181 0.125 1.00 0.00 N ATOM 2044 CA VAL B 49 14.961 -3.304 -0.804 1.00 0.00 C ATOM 2045 C VAL B 49 15.802 -2.978 -2.034 1.00 0.00 C ATOM 2046 O VAL B 49 15.555 -1.978 -2.702 1.00 0.00 O ATOM 2047 CB VAL B 49 13.528 -3.686 -1.242 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.540 -4.928 -2.120 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.631 -3.898 -0.034 1.00 0.00 C ATOM 0 H VAL B 49 14.630 -1.299 -0.271 1.00 0.00 H new ATOM 0 HA VAL B 49 15.398 -4.155 -0.282 1.00 0.00 H new ATOM 0 HB VAL B 49 13.126 -2.858 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.520 -5.175 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.139 -4.738 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.970 -5.762 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.628 -4.166 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.035 -4.701 0.583 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.585 -2.979 0.551 1.00 0.00 H new ATOM 2059 N PRO B 50 16.812 -3.806 -2.343 1.00 0.00 N ATOM 2060 CA PRO B 50 17.637 -3.634 -3.546 1.00 0.00 C ATOM 2061 C PRO B 50 16.788 -3.638 -4.815 1.00 0.00 C ATOM 2062 O PRO B 50 15.843 -4.413 -4.921 1.00 0.00 O ATOM 2063 CB PRO B 50 18.581 -4.844 -3.524 1.00 0.00 C ATOM 2064 CG PRO B 50 17.975 -5.803 -2.553 1.00 0.00 C ATOM 2065 CD PRO B 50 17.240 -4.966 -1.548 1.00 0.00 C ATOM 0 HA PRO B 50 18.165 -2.680 -3.548 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.670 -5.291 -4.514 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.585 -4.553 -3.214 1.00 0.00 H new ATOM 0 HG2 PRO B 50 17.297 -6.492 -3.057 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.743 -6.407 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.391 -5.499 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.883 -4.673 -0.718 1.00 0.00 H new ATOM 2073 N SER B 51 17.137 -2.771 -5.762 1.00 0.00 N ATOM 2074 CA SER B 51 16.368 -2.569 -6.993 1.00 0.00 C ATOM 2075 C SER B 51 15.969 -3.883 -7.677 1.00 0.00 C ATOM 2076 O SER B 51 14.837 -4.023 -8.145 1.00 0.00 O ATOM 2077 CB SER B 51 17.188 -1.702 -7.943 1.00 0.00 C ATOM 2078 OG SER B 51 17.731 -0.589 -7.247 1.00 0.00 O ATOM 0 H SER B 51 17.968 -2.183 -5.699 1.00 0.00 H new ATOM 0 HA SER B 51 15.434 -2.073 -6.727 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.992 -2.292 -8.383 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.560 -1.356 -8.764 1.00 0.00 H new ATOM 0 HG SER B 51 18.257 -0.041 -7.866 1.00 0.00 H new ATOM 2084 N GLU B 52 16.893 -4.838 -7.729 1.00 0.00 N ATOM 2085 CA GLU B 52 16.621 -6.147 -8.321 1.00 0.00 C ATOM 2086 C GLU B 52 15.450 -6.830 -7.619 1.00 0.00 C ATOM 2087 O GLU B 52 14.457 -7.197 -8.249 1.00 0.00 O ATOM 2088 CB GLU B 52 17.863 -7.044 -8.239 1.00 0.00 C ATOM 2089 CG GLU B 52 18.976 -6.676 -9.213 1.00 0.00 C ATOM 2090 CD GLU B 52 19.518 -5.276 -9.012 1.00 0.00 C ATOM 2091 OE1 GLU B 52 19.675 -4.850 -7.849 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.805 -4.599 -10.023 1.00 0.00 O ATOM 0 H GLU B 52 17.841 -4.731 -7.367 1.00 0.00 H new ATOM 0 HA GLU B 52 16.360 -5.991 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU B 52 18.258 -7.003 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.563 -8.076 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU B 52 19.792 -7.391 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.601 -6.769 -10.232 1.00 0.00 H new ATOM 2099 N SER B 53 15.563 -6.979 -6.307 1.00 0.00 N ATOM 2100 CA SER B 53 14.536 -7.638 -5.518 1.00 0.00 C ATOM 2101 C SER B 53 13.292 -6.753 -5.414 1.00 0.00 C ATOM 2102 O SER B 53 12.186 -7.243 -5.221 1.00 0.00 O ATOM 2103 CB SER B 53 15.080 -7.950 -4.125 1.00 0.00 C ATOM 2104 OG SER B 53 16.336 -8.598 -4.213 1.00 0.00 O ATOM 0 H SER B 53 16.362 -6.649 -5.765 1.00 0.00 H new ATOM 0 HA SER B 53 14.255 -8.569 -6.010 1.00 0.00 H new ATOM 0 HB2 SER B 53 15.180 -7.028 -3.553 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.375 -8.584 -3.587 1.00 0.00 H new ATOM 0 HG SER B 53 16.670 -8.788 -3.311 1.00 0.00 H new ATOM 2110 N ARG B 54 13.497 -5.453 -5.556 1.00 0.00 N ATOM 2111 CA ARG B 54 12.427 -4.470 -5.482 1.00 0.00 C ATOM 2112 C ARG B 54 11.351 -4.769 -6.520 1.00 0.00 C ATOM 2113 O ARG B 54 10.158 -4.749 -6.214 1.00 0.00 O ATOM 2114 CB ARG B 54 13.021 -3.077 -5.701 1.00 0.00 C ATOM 2115 CG ARG B 54 12.079 -1.930 -5.405 1.00 0.00 C ATOM 2116 CD ARG B 54 12.801 -0.596 -5.534 1.00 0.00 C ATOM 2117 NE ARG B 54 14.013 -0.550 -4.713 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.022 0.295 -4.921 1.00 0.00 C ATOM 2119 NH1 ARG B 54 14.898 1.284 -5.792 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.128 0.187 -4.201 1.00 0.00 N ATOM 0 H ARG B 54 14.417 -5.047 -5.727 1.00 0.00 H new ATOM 0 HA ARG B 54 11.957 -4.513 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.906 -2.972 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.353 -2.998 -6.736 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.234 -1.960 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.675 -2.035 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.063 -0.424 -6.578 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.130 0.210 -5.237 1.00 0.00 H new ATOM 0 HE ARG B 54 14.089 -1.205 -3.935 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.026 1.403 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.674 1.928 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.205 -0.541 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.903 0.832 -4.357 1.00 0.00 H new ATOM 2134 N GLN B 55 11.784 -5.076 -7.738 1.00 0.00 N ATOM 2135 CA GLN B 55 10.862 -5.415 -8.814 1.00 0.00 C ATOM 2136 C GLN B 55 10.184 -6.752 -8.526 1.00 0.00 C ATOM 2137 O GLN B 55 8.998 -6.933 -8.808 1.00 0.00 O ATOM 2138 CB GLN B 55 11.610 -5.455 -10.155 1.00 0.00 C ATOM 2139 CG GLN B 55 10.703 -5.587 -11.372 1.00 0.00 C ATOM 2140 CD GLN B 55 10.643 -6.998 -11.930 1.00 0.00 C ATOM 2141 OE1 GLN B 55 11.430 -7.366 -12.803 1.00 0.00 O ATOM 2142 NE2 GLN B 55 9.706 -7.795 -11.442 1.00 0.00 N ATOM 0 H GLN B 55 12.768 -5.097 -8.004 1.00 0.00 H new ATOM 0 HA GLN B 55 10.089 -4.649 -8.876 1.00 0.00 H new ATOM 0 HB2 GLN B 55 12.203 -4.546 -10.255 1.00 0.00 H new ATOM 0 HB3 GLN B 55 12.308 -6.292 -10.144 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.696 -5.268 -11.102 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.053 -4.911 -12.152 1.00 0.00 H new ATOM 0 HE21 GLN B 55 9.072 -7.454 -10.719 1.00 0.00 H new ATOM 0 HE22 GLN B 55 9.618 -8.750 -11.789 1.00 0.00 H new ATOM 2151 N ALA B 56 10.937 -7.676 -7.937 1.00 0.00 N ATOM 2152 CA ALA B 56 10.424 -9.005 -7.619 1.00 0.00 C ATOM 2153 C ALA B 56 9.383 -8.941 -6.504 1.00 0.00 C ATOM 2154 O ALA B 56 8.361 -9.630 -6.552 1.00 0.00 O ATOM 2155 CB ALA B 56 11.566 -9.931 -7.228 1.00 0.00 C ATOM 0 H ALA B 56 11.910 -7.528 -7.669 1.00 0.00 H new ATOM 0 HA ALA B 56 9.938 -9.403 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA B 56 11.169 -10.919 -6.993 1.00 0.00 H new ATOM 0 HB2 ALA B 56 12.270 -10.010 -8.056 1.00 0.00 H new ATOM 0 HB3 ALA B 56 12.078 -9.528 -6.354 1.00 0.00 H new ATOM 2161 N VAL B 57 9.648 -8.122 -5.493 1.00 0.00 N ATOM 2162 CA VAL B 57 8.704 -7.931 -4.399 1.00 0.00 C ATOM 2163 C VAL B 57 7.440 -7.250 -4.908 1.00 0.00 C ATOM 2164 O VAL B 57 6.331 -7.678 -4.594 1.00 0.00 O ATOM 2165 CB VAL B 57 9.306 -7.099 -3.244 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.267 -6.843 -2.158 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.521 -7.799 -2.654 1.00 0.00 C ATOM 0 H VAL B 57 10.508 -7.580 -5.408 1.00 0.00 H new ATOM 0 HA VAL B 57 8.464 -8.920 -4.008 1.00 0.00 H new ATOM 0 HB VAL B 57 9.621 -6.139 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.715 -6.256 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.425 -6.296 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL B 57 7.917 -7.795 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.930 -7.197 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.227 -8.775 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.278 -7.927 -3.427 1.00 0.00 H new ATOM 2177 N ALA B 58 7.616 -6.202 -5.708 1.00 0.00 N ATOM 2178 CA ALA B 58 6.487 -5.479 -6.282 1.00 0.00 C ATOM 2179 C ALA B 58 5.599 -6.414 -7.097 1.00 0.00 C ATOM 2180 O ALA B 58 4.374 -6.339 -7.019 1.00 0.00 O ATOM 2181 CB ALA B 58 6.976 -4.327 -7.147 1.00 0.00 C ATOM 0 H ALA B 58 8.530 -5.835 -5.973 1.00 0.00 H new ATOM 0 HA ALA B 58 5.894 -5.073 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.120 -3.799 -7.567 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.564 -3.640 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.595 -4.716 -7.956 1.00 0.00 H new ATOM 2187 N GLU B 59 6.229 -7.302 -7.863 1.00 0.00 N ATOM 2188 CA GLU B 59 5.510 -8.286 -8.665 1.00 0.00 C ATOM 2189 C GLU B 59 4.604 -9.144 -7.783 1.00 0.00 C ATOM 2190 O GLU B 59 3.391 -9.217 -7.996 1.00 0.00 O ATOM 2191 CB GLU B 59 6.512 -9.179 -9.403 1.00 0.00 C ATOM 2192 CG GLU B 59 5.868 -10.267 -10.250 1.00 0.00 C ATOM 2193 CD GLU B 59 5.183 -9.720 -11.482 1.00 0.00 C ATOM 2194 OE1 GLU B 59 4.158 -9.023 -11.344 1.00 0.00 O ATOM 2195 OE2 GLU B 59 5.679 -9.975 -12.600 1.00 0.00 O ATOM 0 H GLU B 59 7.244 -7.359 -7.944 1.00 0.00 H new ATOM 0 HA GLU B 59 4.888 -7.759 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU B 59 7.135 -8.555 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU B 59 7.173 -9.646 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU B 59 6.630 -10.985 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU B 59 5.141 -10.809 -9.646 1.00 0.00 H new ATOM 2202 N GLN B 60 5.208 -9.773 -6.783 1.00 0.00 N ATOM 2203 CA GLN B 60 4.496 -10.681 -5.895 1.00 0.00 C ATOM 2204 C GLN B 60 3.449 -9.942 -5.069 1.00 0.00 C ATOM 2205 O GLN B 60 2.320 -10.408 -4.931 1.00 0.00 O ATOM 2206 CB GLN B 60 5.484 -11.390 -4.970 1.00 0.00 C ATOM 2207 CG GLN B 60 6.471 -12.285 -5.704 1.00 0.00 C ATOM 2208 CD GLN B 60 7.544 -12.843 -4.791 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.379 -13.906 -4.190 1.00 0.00 O ATOM 2210 NE2 GLN B 60 8.654 -12.132 -4.683 1.00 0.00 N ATOM 0 H GLN B 60 6.199 -9.669 -6.566 1.00 0.00 H new ATOM 0 HA GLN B 60 3.982 -11.419 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.037 -10.642 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.928 -11.990 -4.250 1.00 0.00 H new ATOM 0 HG2 GLN B 60 5.931 -13.109 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN B 60 6.942 -11.718 -6.507 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.751 -11.257 -5.198 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.413 -12.459 -4.085 1.00 0.00 H new ATOM 2219 N PHE B 61 3.826 -8.786 -4.534 1.00 0.00 N ATOM 2220 CA PHE B 61 2.938 -8.010 -3.678 1.00 0.00 C ATOM 2221 C PHE B 61 1.699 -7.557 -4.445 1.00 0.00 C ATOM 2222 O PHE B 61 0.580 -7.665 -3.947 1.00 0.00 O ATOM 2223 CB PHE B 61 3.673 -6.797 -3.102 1.00 0.00 C ATOM 2224 CG PHE B 61 2.844 -5.984 -2.148 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.690 -6.386 -0.832 1.00 0.00 C ATOM 2226 CD2 PHE B 61 2.220 -4.821 -2.569 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.929 -5.643 0.048 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.457 -4.074 -1.694 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.312 -4.485 -0.384 1.00 0.00 C ATOM 0 H PHE B 61 4.744 -8.365 -4.679 1.00 0.00 H new ATOM 0 HA PHE B 61 2.618 -8.651 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.572 -7.138 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.998 -6.157 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.171 -7.291 -0.490 1.00 0.00 H new ATOM 0 HD2 PHE B 61 2.332 -4.495 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.816 -5.966 1.072 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.974 -3.170 -2.034 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.717 -3.902 0.303 1.00 0.00 H new ATOM 2239 N ALA B 62 1.906 -7.065 -5.663 1.00 0.00 N ATOM 2240 CA ALA B 62 0.809 -6.580 -6.490 1.00 0.00 C ATOM 2241 C ALA B 62 -0.198 -7.689 -6.773 1.00 0.00 C ATOM 2242 O ALA B 62 -1.411 -7.485 -6.668 1.00 0.00 O ATOM 2243 CB ALA B 62 1.344 -6.008 -7.794 1.00 0.00 C ATOM 0 H ALA B 62 2.825 -6.992 -6.099 1.00 0.00 H new ATOM 0 HA ALA B 62 0.296 -5.790 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.513 -5.649 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.020 -5.180 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.883 -6.784 -8.338 1.00 0.00 H new ATOM 2249 N LYS B 63 0.308 -8.870 -7.109 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.557 -9.997 -7.430 1.00 0.00 C ATOM 2251 C LYS B 63 -1.213 -10.553 -6.171 1.00 0.00 C ATOM 2252 O LYS B 63 -2.382 -10.929 -6.191 1.00 0.00 O ATOM 2253 CB LYS B 63 0.225 -11.086 -8.168 1.00 0.00 C ATOM 2254 CG LYS B 63 0.738 -10.625 -9.524 1.00 0.00 C ATOM 2255 CD LYS B 63 1.397 -11.750 -10.305 1.00 0.00 C ATOM 2256 CE LYS B 63 1.870 -11.261 -11.667 1.00 0.00 C ATOM 2257 NZ LYS B 63 2.450 -12.353 -12.495 1.00 0.00 N ATOM 0 H LYS B 63 1.306 -9.071 -7.166 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.348 -9.642 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.068 -11.402 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.415 -11.958 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -0.091 -10.220 -10.105 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.454 -9.816 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS B 63 2.243 -12.143 -9.741 1.00 0.00 H new ATOM 0 HD3 LYS B 63 0.691 -12.571 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.032 -10.812 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.616 -10.478 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.757 -11.968 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 3.267 -12.766 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.732 -13.089 -12.651 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.466 -10.580 -5.071 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.004 -11.035 -3.791 1.00 0.00 C ATOM 2273 C ALA B 64 -2.135 -10.122 -3.332 1.00 0.00 C ATOM 2274 O ALA B 64 -3.160 -10.589 -2.835 1.00 0.00 O ATOM 2275 CB ALA B 64 0.093 -11.094 -2.738 1.00 0.00 C ATOM 0 H ALA B 64 0.512 -10.293 -5.039 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.404 -12.040 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.328 -11.435 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.870 -11.787 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.524 -10.102 -2.606 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.940 -8.821 -3.516 1.00 0.00 N ATOM 2282 CA LEU B 65 -2.951 -7.828 -3.178 1.00 0.00 C ATOM 2283 C LEU B 65 -4.221 -8.080 -3.986 1.00 0.00 C ATOM 2284 O LEU B 65 -5.316 -8.186 -3.431 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.422 -6.423 -3.473 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.234 -5.270 -2.886 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.919 -5.094 -1.410 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.963 -3.983 -3.647 1.00 0.00 C ATOM 0 H LEU B 65 -1.082 -8.427 -3.901 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.182 -7.908 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.402 -6.353 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.372 -6.294 -4.554 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.293 -5.510 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.506 -4.268 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.166 -6.010 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.858 -4.877 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.551 -3.174 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.903 -3.738 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.241 -4.113 -4.693 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.053 -8.200 -5.301 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.171 -8.426 -6.207 1.00 0.00 C ATOM 2302 C ALA B 66 -5.904 -9.720 -5.870 1.00 0.00 C ATOM 2303 O ALA B 66 -7.135 -9.755 -5.839 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.684 -8.451 -7.648 1.00 0.00 C ATOM 0 H ALA B 66 -3.145 -8.144 -5.763 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.875 -7.603 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.529 -8.621 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.216 -7.497 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.957 -9.253 -7.772 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.146 -10.780 -5.609 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.725 -12.077 -5.268 1.00 0.00 C ATOM 2312 C GLN B 67 -6.538 -11.996 -3.981 1.00 0.00 C ATOM 2313 O GLN B 67 -7.597 -12.613 -3.875 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.630 -13.138 -5.129 1.00 0.00 C ATOM 2315 CG GLN B 67 -3.975 -13.535 -6.445 1.00 0.00 C ATOM 2316 CD GLN B 67 -4.949 -14.172 -7.415 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -5.152 -15.386 -7.399 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -5.548 -13.364 -8.273 1.00 0.00 N ATOM 0 H GLN B 67 -4.126 -10.767 -5.627 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.394 -12.364 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.862 -12.765 -4.452 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -5.058 -14.027 -4.666 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -3.534 -12.652 -6.907 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.160 -14.231 -6.245 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.352 -12.363 -8.253 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -6.206 -13.741 -8.955 1.00 0.00 H new ATOM 2327 N SER B 68 -6.053 -11.224 -3.018 1.00 0.00 N ATOM 2328 CA SER B 68 -6.741 -11.074 -1.747 1.00 0.00 C ATOM 2329 C SER B 68 -8.086 -10.377 -1.945 1.00 0.00 C ATOM 2330 O SER B 68 -9.103 -10.811 -1.409 1.00 0.00 O ATOM 2331 CB SER B 68 -5.870 -10.290 -0.764 1.00 0.00 C ATOM 2332 OG SER B 68 -4.620 -10.933 -0.567 1.00 0.00 O ATOM 0 H SER B 68 -5.186 -10.693 -3.095 1.00 0.00 H new ATOM 0 HA SER B 68 -6.927 -12.065 -1.333 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.708 -9.280 -1.141 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.388 -10.194 0.190 1.00 0.00 H new ATOM 0 HG SER B 68 -4.028 -10.735 -1.322 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.085 -9.312 -2.738 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.305 -8.562 -3.016 1.00 0.00 C ATOM 2340 C VAL B 69 -10.271 -9.390 -3.863 1.00 0.00 C ATOM 2341 O VAL B 69 -11.483 -9.379 -3.641 1.00 0.00 O ATOM 2342 CB VAL B 69 -8.987 -7.237 -3.745 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.257 -6.447 -4.019 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.007 -6.403 -2.935 1.00 0.00 C ATOM 0 H VAL B 69 -7.252 -8.948 -3.201 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.775 -8.335 -2.059 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.527 -7.482 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.005 -5.519 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -10.925 -7.038 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -10.753 -6.216 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.795 -5.474 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.441 -6.175 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.081 -6.961 -2.797 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.724 -10.123 -4.825 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.535 -10.946 -5.710 1.00 0.00 C ATOM 2356 C LYS B 70 -11.169 -12.103 -4.944 1.00 0.00 C ATOM 2357 O LYS B 70 -12.382 -12.282 -4.988 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.700 -11.479 -6.880 1.00 0.00 C ATOM 2359 CG LYS B 70 -10.495 -12.336 -7.854 1.00 0.00 C ATOM 2360 CD LYS B 70 -9.645 -12.774 -9.036 1.00 0.00 C ATOM 2361 CE LYS B 70 -10.425 -13.667 -9.990 1.00 0.00 C ATOM 2362 NZ LYS B 70 -11.587 -12.964 -10.600 1.00 0.00 N ATOM 0 H LYS B 70 -8.722 -10.164 -5.011 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.331 -10.319 -6.112 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.267 -10.637 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -8.870 -12.066 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -10.880 -13.215 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -11.357 -11.775 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -9.286 -11.895 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.766 -13.308 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -9.761 -14.019 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -10.777 -14.548 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -11.985 -13.548 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -12.314 -12.800 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -11.275 -12.051 -10.990 1.00 0.00 H new ATOM 2376 N SER B 71 -10.351 -12.862 -4.219 1.00 0.00 N ATOM 2377 CA SER B 71 -10.831 -14.047 -3.516 1.00 0.00 C ATOM 2378 C SER B 71 -11.703 -13.669 -2.318 1.00 0.00 C ATOM 2379 O SER B 71 -12.434 -14.507 -1.788 1.00 0.00 O ATOM 2380 CB SER B 71 -9.658 -14.920 -3.055 1.00 0.00 C ATOM 2381 OG SER B 71 -10.117 -16.121 -2.450 1.00 0.00 O ATOM 0 H SER B 71 -9.355 -12.677 -4.104 1.00 0.00 H new ATOM 0 HA SER B 71 -11.441 -14.617 -4.217 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.022 -15.159 -3.908 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.044 -14.364 -2.346 1.00 0.00 H new ATOM 0 HG SER B 71 -10.927 -15.937 -1.930 1.00 0.00 H new