USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=36 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 11 GLN : amide:sc= 0.956 K(o=4.5,f=0.3) USER MOD Set 1.2: A 14 SER OG : rot -89:sc= 1.28 USER MOD Set 1.3: B 26 HIS : +bothHN:sc= 2.21 K(o=4.5,f=-13!) USER MOD Set 2.1: A 55 GLN : amide:sc= 1 K(o=2.1,f=-6.3!) USER MOD Set 2.2: B 70 LYS NZ :NH3+ 168:sc= 1.09 (180deg=-0.00611) USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 1.05 USER MOD Set 3.2: B 48 LYS NZ :NH3+ -166:sc= 1.22 (180deg=-0.204) USER MOD Set 4.1: A 8 SER OG : rot -110:sc= 0.0211 USER MOD Set 4.2: A 10 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00174) USER MOD Single : A 26 HIS : no HE2:sc= -0.695 K(o=-0.69,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -80:sc= 0.982 USER MOD Single : A 35 MET CE :methyl -159:sc= -0.194 (180deg=-0.865) USER MOD Single : A 39 ASN : amide:sc= 1.28 K(o=1.3,f=-0.02) USER MOD Single : A 40 CYS SG : rot 64:sc= 1.21 USER MOD Single : A 42 THR OG1 : rot 26:sc= 0.209 USER MOD Single : A 43 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc=-0.00906 (180deg=-0.121) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0332 F(o=-1.4!,f=-0.033) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 180:sc=-0.00473 USER MOD Single : B 9 ASN : amide:sc=-0.00493 X(o=-0.0049,f=-0.0021) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= -0.0969 K(o=-0.097,f=-0.72) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 25 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.14) USER MOD Single : B 27 LYS NZ :NH3+ 165:sc= -1.51! (180deg=-2.48!) USER MOD Single : B 30 THR OG1 : rot 130:sc= -0.0101 USER MOD Single : B 33 SER OG : rot 67:sc= 1.2 USER MOD Single : B 35 MET CE :methyl -161:sc= -0.148 (180deg=-0.67) USER MOD Single : B 39 ASN : amide:sc= 1.11 K(o=1.1,f=-0.048) USER MOD Single : B 40 CYS SG : rot 120:sc= -0.333 USER MOD Single : B 42 THR OG1 : rot 104:sc= -1! USER MOD Single : B 43 HIS : no HE2:sc= 1.09 K(o=1.1,f=-6.1!) USER MOD Single : B 51 SER OG : rot 180:sc= 0.0137 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 60 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -171:sc= -2.6! (180deg=-2.9!) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 SER OG : rot 68:sc= 1.16 USER MOD Single : B 71 SER OG : rot -27:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -2.853 19.629 -2.341 1.00 0.00 N ATOM 121 CA SER A 8 -1.610 20.337 -2.036 1.00 0.00 C ATOM 122 C SER A 8 -0.472 19.330 -2.096 1.00 0.00 C ATOM 123 O SER A 8 -0.654 18.176 -1.712 1.00 0.00 O ATOM 124 CB SER A 8 -1.640 20.993 -0.647 1.00 0.00 C ATOM 125 OG SER A 8 -0.493 21.800 -0.430 1.00 0.00 O ATOM 0 HA SER A 8 -1.476 21.136 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.539 21.602 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.694 20.221 0.121 1.00 0.00 H new ATOM 0 HG SER A 8 0.086 21.374 0.236 1.00 0.00 H new ATOM 131 N ASN A 9 0.684 19.750 -2.587 1.00 0.00 N ATOM 132 CA ASN A 9 1.836 18.859 -2.669 1.00 0.00 C ATOM 133 C ASN A 9 2.294 18.481 -1.268 1.00 0.00 C ATOM 134 O ASN A 9 2.536 17.312 -0.969 1.00 0.00 O ATOM 135 CB ASN A 9 2.994 19.520 -3.422 1.00 0.00 C ATOM 136 CG ASN A 9 4.127 18.545 -3.697 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.894 17.371 -3.985 1.00 0.00 O ATOM 138 ND2 ASN A 9 5.361 19.018 -3.591 1.00 0.00 N ATOM 0 H ASN A 9 0.851 20.695 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 9 1.535 17.965 -3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.628 19.925 -4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.372 20.360 -2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.159 18.402 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.513 19.998 -3.350 1.00 0.00 H new ATOM 145 N THR A 10 2.375 19.482 -0.404 1.00 0.00 N ATOM 146 CA THR A 10 2.843 19.285 0.955 1.00 0.00 C ATOM 147 C THR A 10 1.818 18.527 1.791 1.00 0.00 C ATOM 148 O THR A 10 2.179 17.790 2.705 1.00 0.00 O ATOM 149 CB THR A 10 3.168 20.634 1.614 1.00 0.00 C ATOM 150 OG1 THR A 10 2.121 21.572 1.334 1.00 0.00 O ATOM 151 CG2 THR A 10 4.495 21.175 1.101 1.00 0.00 C ATOM 0 H THR A 10 2.120 20.445 -0.625 1.00 0.00 H new ATOM 0 HA THR A 10 3.752 18.685 0.908 1.00 0.00 H new ATOM 0 HB THR A 10 3.247 20.486 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.330 22.431 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.708 22.131 1.580 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.291 20.468 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.438 21.314 0.021 1.00 0.00 H new ATOM 159 N GLN A 11 0.539 18.705 1.468 1.00 0.00 N ATOM 160 CA GLN A 11 -0.528 17.959 2.131 1.00 0.00 C ATOM 161 C GLN A 11 -0.308 16.462 1.940 1.00 0.00 C ATOM 162 O GLN A 11 -0.371 15.687 2.892 1.00 0.00 O ATOM 163 CB GLN A 11 -1.894 18.366 1.570 1.00 0.00 C ATOM 164 CG GLN A 11 -3.070 17.604 2.170 1.00 0.00 C ATOM 165 CD GLN A 11 -3.296 17.916 3.639 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.738 17.262 4.520 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.127 18.907 3.912 1.00 0.00 N ATOM 0 H GLN A 11 0.217 19.357 0.753 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.509 18.190 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.041 19.432 1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.890 18.214 0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.974 17.844 1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.899 16.534 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.570 19.425 3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.326 19.154 4.882 1.00 0.00 H new ATOM 176 N VAL A 12 -0.030 16.073 0.703 1.00 0.00 N ATOM 177 CA VAL A 12 0.238 14.677 0.381 1.00 0.00 C ATOM 178 C VAL A 12 1.564 14.238 0.992 1.00 0.00 C ATOM 179 O VAL A 12 1.661 13.168 1.595 1.00 0.00 O ATOM 180 CB VAL A 12 0.288 14.450 -1.148 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.427 12.969 -1.472 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.942 15.034 -1.822 1.00 0.00 C ATOM 0 H VAL A 12 0.016 16.706 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.576 14.084 0.797 1.00 0.00 H new ATOM 0 HB VAL A 12 1.166 14.966 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.460 12.835 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.346 12.585 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.426 12.426 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.884 14.862 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.837 14.554 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.989 16.106 -1.628 1.00 0.00 H new ATOM 192 N GLU A 13 2.579 15.084 0.843 1.00 0.00 N ATOM 193 CA GLU A 13 3.916 14.784 1.339 1.00 0.00 C ATOM 194 C GLU A 13 3.919 14.552 2.845 1.00 0.00 C ATOM 195 O GLU A 13 4.367 13.507 3.307 1.00 0.00 O ATOM 196 CB GLU A 13 4.884 15.912 0.984 1.00 0.00 C ATOM 197 CG GLU A 13 6.295 15.680 1.500 1.00 0.00 C ATOM 198 CD GLU A 13 7.249 16.782 1.106 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.217 17.859 1.736 1.00 0.00 O ATOM 200 OE2 GLU A 13 8.044 16.572 0.168 1.00 0.00 O ATOM 0 H GLU A 13 2.498 15.989 0.379 1.00 0.00 H new ATOM 0 HA GLU A 13 4.244 13.864 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.915 16.027 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.505 16.849 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.271 15.597 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.666 14.730 1.116 1.00 0.00 H new ATOM 207 N SER A 14 3.413 15.519 3.606 1.00 0.00 N ATOM 208 CA SER A 14 3.409 15.418 5.061 1.00 0.00 C ATOM 209 C SER A 14 2.567 14.230 5.519 1.00 0.00 C ATOM 210 O SER A 14 2.891 13.575 6.509 1.00 0.00 O ATOM 211 CB SER A 14 2.902 16.717 5.698 1.00 0.00 C ATOM 212 OG SER A 14 1.636 17.092 5.183 1.00 0.00 O ATOM 0 H SER A 14 3.002 16.378 3.240 1.00 0.00 H new ATOM 0 HA SER A 14 4.436 15.257 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.833 16.590 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.620 17.516 5.516 1.00 0.00 H new ATOM 0 HG SER A 14 1.759 17.659 4.394 1.00 0.00 H new ATOM 218 N LEU A 15 1.500 13.947 4.777 1.00 0.00 N ATOM 219 CA LEU A 15 0.664 12.786 5.050 1.00 0.00 C ATOM 220 C LEU A 15 1.489 11.507 4.948 1.00 0.00 C ATOM 221 O LEU A 15 1.571 10.739 5.903 1.00 0.00 O ATOM 222 CB LEU A 15 -0.517 12.738 4.074 1.00 0.00 C ATOM 223 CG LEU A 15 -1.473 11.559 4.262 1.00 0.00 C ATOM 224 CD1 LEU A 15 -2.080 11.576 5.654 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.568 11.592 3.207 1.00 0.00 C ATOM 0 H LEU A 15 1.195 14.508 3.981 1.00 0.00 H new ATOM 0 HA LEU A 15 0.272 12.869 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.085 13.664 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.126 12.709 3.057 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.905 10.636 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.757 10.729 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.286 11.507 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.633 12.504 5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.240 10.747 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.130 12.522 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.120 11.531 2.215 1.00 0.00 H new ATOM 237 N ILE A 16 2.120 11.303 3.795 1.00 0.00 N ATOM 238 CA ILE A 16 2.954 10.125 3.573 1.00 0.00 C ATOM 239 C ILE A 16 4.129 10.105 4.547 1.00 0.00 C ATOM 240 O ILE A 16 4.509 9.050 5.060 1.00 0.00 O ATOM 241 CB ILE A 16 3.482 10.075 2.119 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.311 10.019 1.131 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.403 8.874 1.922 1.00 0.00 C ATOM 244 CD1 ILE A 16 2.733 10.050 -0.323 1.00 0.00 C ATOM 0 H ILE A 16 2.070 11.939 2.999 1.00 0.00 H new ATOM 0 HA ILE A 16 2.331 9.247 3.745 1.00 0.00 H new ATOM 0 HB ILE A 16 4.057 10.981 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.738 9.110 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.645 10.860 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.764 8.857 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.251 8.950 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.853 7.956 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.849 10.007 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.280 10.971 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.374 9.194 -0.534 1.00 0.00 H new ATOM 256 N ALA A 17 4.684 11.283 4.809 1.00 0.00 N ATOM 257 CA ALA A 17 5.811 11.424 5.719 1.00 0.00 C ATOM 258 C ALA A 17 5.469 10.895 7.107 1.00 0.00 C ATOM 259 O ALA A 17 6.237 10.126 7.683 1.00 0.00 O ATOM 260 CB ALA A 17 6.254 12.877 5.801 1.00 0.00 C ATOM 0 H ALA A 17 4.367 12.161 4.399 1.00 0.00 H new ATOM 0 HA ALA A 17 6.635 10.829 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.097 12.962 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.554 13.222 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.428 13.489 6.164 1.00 0.00 H new ATOM 266 N GLU A 18 4.309 11.284 7.632 1.00 0.00 N ATOM 267 CA GLU A 18 3.895 10.841 8.959 1.00 0.00 C ATOM 268 C GLU A 18 3.704 9.330 8.992 1.00 0.00 C ATOM 269 O GLU A 18 4.038 8.677 9.979 1.00 0.00 O ATOM 270 CB GLU A 18 2.605 11.531 9.403 1.00 0.00 C ATOM 271 CG GLU A 18 2.777 12.991 9.784 1.00 0.00 C ATOM 272 CD GLU A 18 1.566 13.532 10.516 1.00 0.00 C ATOM 273 OE1 GLU A 18 1.484 13.348 11.750 1.00 0.00 O ATOM 274 OE2 GLU A 18 0.690 14.133 9.867 1.00 0.00 O ATOM 0 H GLU A 18 3.645 11.900 7.163 1.00 0.00 H new ATOM 0 HA GLU A 18 4.690 11.116 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.874 11.461 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.193 10.991 10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.660 13.100 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.952 13.582 8.885 1.00 0.00 H new ATOM 281 N ILE A 19 3.178 8.781 7.905 1.00 0.00 N ATOM 282 CA ILE A 19 2.989 7.340 7.786 1.00 0.00 C ATOM 283 C ILE A 19 4.330 6.622 7.924 1.00 0.00 C ATOM 284 O ILE A 19 4.457 5.648 8.668 1.00 0.00 O ATOM 285 CB ILE A 19 2.345 6.966 6.433 1.00 0.00 C ATOM 286 CG1 ILE A 19 1.076 7.788 6.202 1.00 0.00 C ATOM 287 CG2 ILE A 19 2.014 5.483 6.399 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.475 7.607 4.826 1.00 0.00 C ATOM 0 H ILE A 19 2.873 9.313 7.090 1.00 0.00 H new ATOM 0 HA ILE A 19 2.318 7.027 8.586 1.00 0.00 H new ATOM 0 HB ILE A 19 3.058 7.188 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.334 7.513 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.305 8.843 6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.561 5.233 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.928 4.903 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.316 5.247 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.421 8.221 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.199 7.910 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.213 6.559 4.678 1.00 0.00 H new ATOM 300 N LEU A 20 5.330 7.140 7.218 1.00 0.00 N ATOM 301 CA LEU A 20 6.681 6.597 7.273 1.00 0.00 C ATOM 302 C LEU A 20 7.273 6.771 8.668 1.00 0.00 C ATOM 303 O LEU A 20 7.905 5.860 9.205 1.00 0.00 O ATOM 304 CB LEU A 20 7.574 7.293 6.241 1.00 0.00 C ATOM 305 CG LEU A 20 7.150 7.120 4.782 1.00 0.00 C ATOM 306 CD1 LEU A 20 7.989 8.009 3.880 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.275 5.663 4.359 1.00 0.00 C ATOM 0 H LEU A 20 5.227 7.942 6.596 1.00 0.00 H new ATOM 0 HA LEU A 20 6.631 5.533 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.602 8.358 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.591 6.917 6.353 1.00 0.00 H new ATOM 0 HG LEU A 20 6.105 7.417 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.676 7.875 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.853 9.051 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.040 7.739 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.969 5.559 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.311 5.340 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.635 5.045 4.989 1.00 0.00 H new ATOM 319 N VAL A 21 7.055 7.946 9.250 1.00 0.00 N ATOM 320 CA VAL A 21 7.562 8.250 10.583 1.00 0.00 C ATOM 321 C VAL A 21 6.948 7.329 11.633 1.00 0.00 C ATOM 322 O VAL A 21 7.630 6.899 12.556 1.00 0.00 O ATOM 323 CB VAL A 21 7.314 9.728 10.962 1.00 0.00 C ATOM 324 CG1 VAL A 21 7.636 9.985 12.428 1.00 0.00 C ATOM 325 CG2 VAL A 21 8.151 10.639 10.078 1.00 0.00 C ATOM 0 H VAL A 21 6.529 8.705 8.818 1.00 0.00 H new ATOM 0 HA VAL A 21 8.638 8.080 10.560 1.00 0.00 H new ATOM 0 HB VAL A 21 6.257 9.944 10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.451 11.033 12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.004 9.356 13.055 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.683 9.750 12.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.970 11.678 10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.207 10.407 10.213 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.876 10.486 9.034 1.00 0.00 H new ATOM 335 N VAL A 22 5.671 7.014 11.488 1.00 0.00 N ATOM 336 CA VAL A 22 5.017 6.091 12.408 1.00 0.00 C ATOM 337 C VAL A 22 5.607 4.691 12.271 1.00 0.00 C ATOM 338 O VAL A 22 5.895 4.032 13.277 1.00 0.00 O ATOM 339 CB VAL A 22 3.490 6.053 12.197 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.853 4.914 12.982 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.879 7.381 12.609 1.00 0.00 C ATOM 0 H VAL A 22 5.069 7.379 10.750 1.00 0.00 H new ATOM 0 HA VAL A 22 5.200 6.456 13.419 1.00 0.00 H new ATOM 0 HB VAL A 22 3.296 5.880 11.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.776 4.913 12.813 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.273 3.964 12.651 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.053 5.048 14.045 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.800 7.348 12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.092 7.569 13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.306 8.181 12.004 1.00 0.00 H new ATOM 351 N LEU A 23 5.785 4.244 11.030 1.00 0.00 N ATOM 352 CA LEU A 23 6.498 2.997 10.755 1.00 0.00 C ATOM 353 C LEU A 23 7.833 2.934 11.500 1.00 0.00 C ATOM 354 O LEU A 23 8.100 1.978 12.230 1.00 0.00 O ATOM 355 CB LEU A 23 6.754 2.846 9.254 1.00 0.00 C ATOM 356 CG LEU A 23 5.513 2.622 8.396 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.887 2.637 6.924 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.845 1.307 8.768 1.00 0.00 C ATOM 0 H LEU A 23 5.445 4.726 10.198 1.00 0.00 H new ATOM 0 HA LEU A 23 5.866 2.181 11.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.264 3.741 8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.436 2.009 9.102 1.00 0.00 H new ATOM 0 HG LEU A 23 4.805 3.430 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.994 2.476 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.328 3.601 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.608 1.844 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.961 1.160 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.543 0.486 8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.552 1.332 9.818 1.00 0.00 H new ATOM 370 N GLU A 24 8.662 3.959 11.331 1.00 0.00 N ATOM 371 CA GLU A 24 9.996 3.960 11.928 1.00 0.00 C ATOM 372 C GLU A 24 9.952 4.264 13.426 1.00 0.00 C ATOM 373 O GLU A 24 10.875 3.915 14.162 1.00 0.00 O ATOM 374 CB GLU A 24 10.916 4.955 11.213 1.00 0.00 C ATOM 375 CG GLU A 24 10.419 6.389 11.226 1.00 0.00 C ATOM 376 CD GLU A 24 11.395 7.347 10.576 1.00 0.00 C ATOM 377 OE1 GLU A 24 11.555 7.295 9.342 1.00 0.00 O ATOM 378 OE2 GLU A 24 12.020 8.147 11.303 1.00 0.00 O ATOM 0 H GLU A 24 8.438 4.794 10.790 1.00 0.00 H new ATOM 0 HA GLU A 24 10.400 2.955 11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.901 4.920 11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.042 4.636 10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.462 6.443 10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.242 6.699 12.256 1.00 0.00 H new ATOM 385 N LYS A 25 8.884 4.908 13.877 1.00 0.00 N ATOM 386 CA LYS A 25 8.734 5.245 15.290 1.00 0.00 C ATOM 387 C LYS A 25 8.422 3.989 16.096 1.00 0.00 C ATOM 388 O LYS A 25 8.764 3.890 17.270 1.00 0.00 O ATOM 389 CB LYS A 25 7.625 6.288 15.473 1.00 0.00 C ATOM 390 CG LYS A 25 7.644 6.987 16.822 1.00 0.00 C ATOM 391 CD LYS A 25 6.550 8.038 16.912 1.00 0.00 C ATOM 392 CE LYS A 25 6.680 8.882 18.172 1.00 0.00 C ATOM 393 NZ LYS A 25 6.491 8.084 19.413 1.00 0.00 N ATOM 0 H LYS A 25 8.108 5.208 13.287 1.00 0.00 H new ATOM 0 HA LYS A 25 9.670 5.670 15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.713 7.038 14.687 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.659 5.801 15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.513 6.253 17.617 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.616 7.455 16.978 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.594 8.684 16.035 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.575 7.550 16.900 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.664 9.351 18.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.944 9.686 18.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.572 8.707 20.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.549 7.643 19.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.219 7.343 19.464 1.00 0.00 H new ATOM 407 N HIS A 26 7.780 3.024 15.450 1.00 0.00 N ATOM 408 CA HIS A 26 7.474 1.750 16.093 1.00 0.00 C ATOM 409 C HIS A 26 8.529 0.713 15.739 1.00 0.00 C ATOM 410 O HIS A 26 8.488 -0.417 16.223 1.00 0.00 O ATOM 411 CB HIS A 26 6.086 1.242 15.688 1.00 0.00 C ATOM 412 CG HIS A 26 4.958 1.938 16.390 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.179 1.338 17.358 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.481 3.198 16.259 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.274 2.197 17.788 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.436 3.335 17.139 1.00 0.00 N ATOM 0 H HIS A 26 7.461 3.098 14.484 1.00 0.00 H new ATOM 0 HA HIS A 26 7.477 1.911 17.171 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.964 1.366 14.612 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.026 0.173 15.895 1.00 0.00 H new ATOM 0 HD1 HIS A 26 4.286 0.379 17.690 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.854 3.956 15.586 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.527 2.002 18.543 1.00 0.00 H new ATOM 425 N LYS A 27 9.473 1.131 14.896 1.00 0.00 N ATOM 426 CA LYS A 27 10.550 0.269 14.415 1.00 0.00 C ATOM 427 C LYS A 27 9.984 -0.948 13.686 1.00 0.00 C ATOM 428 O LYS A 27 10.016 -2.072 14.190 1.00 0.00 O ATOM 429 CB LYS A 27 11.470 -0.164 15.565 1.00 0.00 C ATOM 430 CG LYS A 27 12.714 -0.906 15.105 1.00 0.00 C ATOM 431 CD LYS A 27 13.554 -1.367 16.282 1.00 0.00 C ATOM 432 CE LYS A 27 14.764 -2.160 15.818 1.00 0.00 C ATOM 433 NZ LYS A 27 15.563 -2.666 16.962 1.00 0.00 N ATOM 0 H LYS A 27 9.511 2.081 14.527 1.00 0.00 H new ATOM 0 HA LYS A 27 11.148 0.844 13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.772 0.718 16.129 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.908 -0.802 16.247 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.424 -1.768 14.504 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.310 -0.257 14.464 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.882 -0.502 16.858 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.947 -1.981 16.947 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.435 -2.999 15.205 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.391 -1.530 15.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.380 -3.202 16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.898 -1.864 17.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.972 -3.287 17.550 1.00 0.00 H new ATOM 447 N ALA A 28 9.429 -0.703 12.511 1.00 0.00 N ATOM 448 CA ALA A 28 8.881 -1.766 11.689 1.00 0.00 C ATOM 449 C ALA A 28 9.906 -2.259 10.675 1.00 0.00 C ATOM 450 O ALA A 28 10.397 -1.484 9.849 1.00 0.00 O ATOM 451 CB ALA A 28 7.627 -1.287 10.974 1.00 0.00 C ATOM 0 H ALA A 28 9.346 0.229 12.104 1.00 0.00 H new ATOM 0 HA ALA A 28 8.621 -2.598 12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.227 -2.095 10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.881 -0.986 11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.873 -0.437 10.338 1.00 0.00 H new ATOM 457 N PRO A 29 10.260 -3.554 10.737 1.00 0.00 N ATOM 458 CA PRO A 29 11.122 -4.188 9.734 1.00 0.00 C ATOM 459 C PRO A 29 10.446 -4.225 8.364 1.00 0.00 C ATOM 460 O PRO A 29 9.293 -3.806 8.222 1.00 0.00 O ATOM 461 CB PRO A 29 11.326 -5.614 10.270 1.00 0.00 C ATOM 462 CG PRO A 29 10.932 -5.553 11.707 1.00 0.00 C ATOM 463 CD PRO A 29 9.874 -4.492 11.799 1.00 0.00 C ATOM 0 HA PRO A 29 12.057 -3.646 9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.713 -6.331 9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.363 -5.931 10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.551 -6.515 12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.787 -5.307 12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.877 -4.900 11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.866 -4.013 12.778 1.00 0.00 H new ATOM 471 N THR A 30 11.144 -4.744 7.364 1.00 0.00 N ATOM 472 CA THR A 30 10.615 -4.791 6.005 1.00 0.00 C ATOM 473 C THR A 30 9.370 -5.669 5.954 1.00 0.00 C ATOM 474 O THR A 30 8.395 -5.351 5.274 1.00 0.00 O ATOM 475 CB THR A 30 11.671 -5.333 5.026 1.00 0.00 C ATOM 476 OG1 THR A 30 12.928 -4.705 5.296 1.00 0.00 O ATOM 477 CG2 THR A 30 11.272 -5.061 3.583 1.00 0.00 C ATOM 0 H THR A 30 12.079 -5.139 7.466 1.00 0.00 H new ATOM 0 HA THR A 30 10.352 -3.776 5.708 1.00 0.00 H new ATOM 0 HB THR A 30 11.749 -6.412 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.605 -5.048 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.037 -5.455 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.319 -5.546 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.174 -3.986 3.429 1.00 0.00 H new ATOM 485 N ASP A 31 9.410 -6.760 6.705 1.00 0.00 N ATOM 486 CA ASP A 31 8.286 -7.682 6.802 1.00 0.00 C ATOM 487 C ASP A 31 7.047 -6.963 7.320 1.00 0.00 C ATOM 488 O ASP A 31 5.962 -7.059 6.747 1.00 0.00 O ATOM 489 CB ASP A 31 8.624 -8.827 7.765 1.00 0.00 C ATOM 490 CG ASP A 31 9.930 -9.523 7.447 1.00 0.00 C ATOM 491 OD1 ASP A 31 11.000 -8.973 7.793 1.00 0.00 O ATOM 492 OD2 ASP A 31 9.896 -10.635 6.877 1.00 0.00 O ATOM 0 H ASP A 31 10.220 -7.031 7.263 1.00 0.00 H new ATOM 0 HA ASP A 31 8.089 -8.078 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.670 -8.434 8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.817 -9.559 7.742 1.00 0.00 H new ATOM 497 N LEU A 32 7.234 -6.224 8.405 1.00 0.00 N ATOM 498 CA LEU A 32 6.132 -5.595 9.115 1.00 0.00 C ATOM 499 C LEU A 32 5.608 -4.365 8.377 1.00 0.00 C ATOM 500 O LEU A 32 4.401 -4.134 8.337 1.00 0.00 O ATOM 501 CB LEU A 32 6.579 -5.223 10.532 1.00 0.00 C ATOM 502 CG LEU A 32 5.489 -4.655 11.445 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.317 -5.617 11.547 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.057 -4.371 12.826 1.00 0.00 C ATOM 0 H LEU A 32 8.150 -6.045 8.815 1.00 0.00 H new ATOM 0 HA LEU A 32 5.311 -6.310 9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.998 -6.111 11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.384 -4.491 10.459 1.00 0.00 H new ATOM 0 HG LEU A 32 5.130 -3.722 11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.554 -5.193 12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.895 -5.782 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.660 -6.566 11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.272 -3.967 13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.439 -5.295 13.259 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.867 -3.646 12.744 1.00 0.00 H new ATOM 516 N SER A 33 6.506 -3.587 7.785 1.00 0.00 N ATOM 517 CA SER A 33 6.109 -2.374 7.079 1.00 0.00 C ATOM 518 C SER A 33 5.241 -2.706 5.866 1.00 0.00 C ATOM 519 O SER A 33 4.173 -2.117 5.679 1.00 0.00 O ATOM 520 CB SER A 33 7.343 -1.568 6.665 1.00 0.00 C ATOM 521 OG SER A 33 8.340 -2.408 6.110 1.00 0.00 O ATOM 0 H SER A 33 7.509 -3.772 7.779 1.00 0.00 H new ATOM 0 HA SER A 33 5.513 -1.763 7.757 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.057 -0.808 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.746 -1.044 7.532 1.00 0.00 H new ATOM 0 HG SER A 33 8.837 -2.846 6.832 1.00 0.00 H new ATOM 527 N LEU A 34 5.689 -3.666 5.061 1.00 0.00 N ATOM 528 CA LEU A 34 4.927 -4.112 3.898 1.00 0.00 C ATOM 529 C LEU A 34 3.562 -4.649 4.328 1.00 0.00 C ATOM 530 O LEU A 34 2.536 -4.339 3.721 1.00 0.00 O ATOM 531 CB LEU A 34 5.694 -5.201 3.137 1.00 0.00 C ATOM 532 CG LEU A 34 7.014 -4.764 2.491 1.00 0.00 C ATOM 533 CD1 LEU A 34 7.774 -5.975 1.976 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.765 -3.784 1.354 1.00 0.00 C ATOM 0 H LEU A 34 6.577 -4.150 5.193 1.00 0.00 H new ATOM 0 HA LEU A 34 4.781 -3.256 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.903 -6.020 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.044 -5.598 2.357 1.00 0.00 H new ATOM 0 HG LEU A 34 7.614 -4.263 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.709 -5.651 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.989 -6.649 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.169 -6.495 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.717 -3.489 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.144 -4.258 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.255 -2.901 1.740 1.00 0.00 H new ATOM 546 N MET A 35 3.561 -5.440 5.397 1.00 0.00 N ATOM 547 CA MET A 35 2.339 -6.060 5.898 1.00 0.00 C ATOM 548 C MET A 35 1.364 -5.012 6.438 1.00 0.00 C ATOM 549 O MET A 35 0.164 -5.073 6.166 1.00 0.00 O ATOM 550 CB MET A 35 2.675 -7.080 6.992 1.00 0.00 C ATOM 551 CG MET A 35 1.477 -7.892 7.459 1.00 0.00 C ATOM 552 SD MET A 35 1.910 -9.125 8.704 1.00 0.00 S ATOM 553 CE MET A 35 3.111 -10.110 7.809 1.00 0.00 C ATOM 0 H MET A 35 4.397 -5.667 5.935 1.00 0.00 H new ATOM 0 HA MET A 35 1.856 -6.572 5.066 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.441 -7.760 6.619 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.103 -6.556 7.846 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.724 -7.218 7.868 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.026 -8.391 6.602 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.193 -11.093 8.273 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.790 -10.223 6.774 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.081 -9.614 7.836 1.00 0.00 H new ATOM 563 N ALA A 36 1.883 -4.053 7.197 1.00 0.00 N ATOM 564 CA ALA A 36 1.056 -3.002 7.780 1.00 0.00 C ATOM 565 C ALA A 36 0.406 -2.152 6.694 1.00 0.00 C ATOM 566 O ALA A 36 -0.821 -2.009 6.656 1.00 0.00 O ATOM 567 CB ALA A 36 1.884 -2.129 8.713 1.00 0.00 C ATOM 0 H ALA A 36 2.875 -3.982 7.423 1.00 0.00 H new ATOM 0 HA ALA A 36 0.264 -3.477 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.252 -1.350 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.295 -2.742 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.699 -1.669 8.154 1.00 0.00 H new ATOM 573 N LEU A 37 1.231 -1.591 5.814 1.00 0.00 N ATOM 574 CA LEU A 37 0.740 -0.790 4.696 1.00 0.00 C ATOM 575 C LEU A 37 -0.252 -1.573 3.841 1.00 0.00 C ATOM 576 O LEU A 37 -1.299 -1.049 3.465 1.00 0.00 O ATOM 577 CB LEU A 37 1.901 -0.299 3.823 1.00 0.00 C ATOM 578 CG LEU A 37 2.563 1.007 4.275 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.567 2.153 4.233 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.147 0.870 5.670 1.00 0.00 C ATOM 0 H LEU A 37 2.247 -1.677 5.854 1.00 0.00 H new ATOM 0 HA LEU A 37 0.225 0.072 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.662 -1.079 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.536 -0.167 2.805 1.00 0.00 H new ATOM 0 HG LEU A 37 3.378 1.225 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.056 3.072 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.199 2.278 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.731 1.933 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.610 1.812 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.353 0.620 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.898 0.080 5.674 1.00 0.00 H new ATOM 592 N GLY A 38 0.078 -2.831 3.556 1.00 0.00 N ATOM 593 CA GLY A 38 -0.780 -3.669 2.734 1.00 0.00 C ATOM 594 C GLY A 38 -2.195 -3.772 3.270 1.00 0.00 C ATOM 595 O GLY A 38 -3.161 -3.615 2.523 1.00 0.00 O ATOM 0 H GLY A 38 0.930 -3.287 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.809 -3.267 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.348 -4.668 2.668 1.00 0.00 H new ATOM 599 N ASN A 39 -2.318 -4.013 4.571 1.00 0.00 N ATOM 600 CA ASN A 39 -3.628 -4.134 5.205 1.00 0.00 C ATOM 601 C ASN A 39 -4.372 -2.804 5.186 1.00 0.00 C ATOM 602 O ASN A 39 -5.599 -2.768 5.133 1.00 0.00 O ATOM 603 CB ASN A 39 -3.497 -4.626 6.648 1.00 0.00 C ATOM 604 CG ASN A 39 -3.312 -6.131 6.756 1.00 0.00 C ATOM 605 OD1 ASN A 39 -4.280 -6.880 6.887 1.00 0.00 O ATOM 606 ND2 ASN A 39 -2.070 -6.589 6.708 1.00 0.00 N ATOM 0 H ASN A 39 -1.529 -4.128 5.207 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.198 -4.865 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.649 -4.128 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.387 -4.335 7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.893 -7.591 6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.291 -5.940 6.599 1.00 0.00 H new ATOM 613 N CYS A 40 -3.627 -1.709 5.223 1.00 0.00 N ATOM 614 CA CYS A 40 -4.226 -0.380 5.196 1.00 0.00 C ATOM 615 C CYS A 40 -4.784 -0.060 3.809 1.00 0.00 C ATOM 616 O CYS A 40 -5.692 0.765 3.677 1.00 0.00 O ATOM 617 CB CYS A 40 -3.199 0.675 5.613 1.00 0.00 C ATOM 618 SG CYS A 40 -2.518 0.418 7.267 1.00 0.00 S ATOM 0 H CYS A 40 -2.608 -1.713 5.272 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.053 -0.365 5.906 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.383 0.679 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.666 1.659 5.572 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.847 -0.695 7.292 1.00 0.00 H new ATOM 624 N VAL A 41 -4.252 -0.715 2.783 1.00 0.00 N ATOM 625 CA VAL A 41 -4.750 -0.533 1.425 1.00 0.00 C ATOM 626 C VAL A 41 -6.106 -1.212 1.266 1.00 0.00 C ATOM 627 O VAL A 41 -7.075 -0.595 0.816 1.00 0.00 O ATOM 628 CB VAL A 41 -3.770 -1.090 0.366 1.00 0.00 C ATOM 629 CG1 VAL A 41 -4.272 -0.803 -1.043 1.00 0.00 C ATOM 630 CG2 VAL A 41 -2.377 -0.513 0.559 1.00 0.00 C ATOM 0 H VAL A 41 -3.478 -1.375 2.865 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.849 0.540 1.261 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.715 -2.171 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.566 -1.204 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.245 -1.273 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.365 0.274 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.706 -0.920 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.416 0.572 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.008 -0.777 1.550 1.00 0.00 H new ATOM 640 N THR A 42 -6.182 -2.476 1.672 1.00 0.00 N ATOM 641 CA THR A 42 -7.426 -3.229 1.586 1.00 0.00 C ATOM 642 C THR A 42 -8.463 -2.639 2.532 1.00 0.00 C ATOM 643 O THR A 42 -9.666 -2.661 2.257 1.00 0.00 O ATOM 644 CB THR A 42 -7.197 -4.713 1.914 1.00 0.00 C ATOM 645 OG1 THR A 42 -6.336 -4.834 3.054 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.582 -5.438 0.726 1.00 0.00 C ATOM 0 H THR A 42 -5.398 -2.998 2.063 1.00 0.00 H new ATOM 0 HA THR A 42 -7.795 -3.159 0.563 1.00 0.00 H new ATOM 0 HB THR A 42 -8.161 -5.169 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.414 -4.030 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.428 -6.487 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.252 -5.366 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.624 -4.981 0.477 1.00 0.00 H new ATOM 654 N HIS A 43 -7.970 -2.090 3.639 1.00 0.00 N ATOM 655 CA HIS A 43 -8.794 -1.371 4.607 1.00 0.00 C ATOM 656 C HIS A 43 -9.600 -0.255 3.931 1.00 0.00 C ATOM 657 O HIS A 43 -10.706 0.070 4.356 1.00 0.00 O ATOM 658 CB HIS A 43 -7.883 -0.814 5.722 1.00 0.00 C ATOM 659 CG HIS A 43 -8.118 0.623 6.094 1.00 0.00 C ATOM 660 ND1 HIS A 43 -7.429 1.673 5.528 1.00 0.00 N ATOM 661 CD2 HIS A 43 -8.971 1.174 6.977 1.00 0.00 C ATOM 662 CE1 HIS A 43 -7.850 2.808 6.051 1.00 0.00 C ATOM 663 NE2 HIS A 43 -8.790 2.534 6.933 1.00 0.00 N ATOM 0 H HIS A 43 -6.983 -2.132 3.891 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.518 -2.057 5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.013 -1.428 6.613 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.845 -0.924 5.408 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -6.705 1.586 4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.670 0.643 7.606 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.487 3.793 5.800 1.00 0.00 H new ATOM 672 N LEU A 44 -9.036 0.332 2.888 1.00 0.00 N ATOM 673 CA LEU A 44 -9.700 1.409 2.167 1.00 0.00 C ATOM 674 C LEU A 44 -10.608 0.845 1.081 1.00 0.00 C ATOM 675 O LEU A 44 -11.715 1.340 0.858 1.00 0.00 O ATOM 676 CB LEU A 44 -8.658 2.344 1.558 1.00 0.00 C ATOM 677 CG LEU A 44 -7.849 3.145 2.577 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.549 3.631 1.959 1.00 0.00 C ATOM 679 CD2 LEU A 44 -8.663 4.324 3.085 1.00 0.00 C ATOM 0 H LEU A 44 -8.118 0.081 2.520 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.316 1.974 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.971 1.755 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.161 3.039 0.886 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.611 2.495 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.985 4.200 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.959 2.775 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.769 4.268 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.075 4.886 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.925 4.973 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.574 3.960 3.560 1.00 0.00 H new ATOM 691 N LEU A 45 -10.132 -0.211 0.431 1.00 0.00 N ATOM 692 CA LEU A 45 -10.867 -0.856 -0.649 1.00 0.00 C ATOM 693 C LEU A 45 -12.214 -1.390 -0.174 1.00 0.00 C ATOM 694 O LEU A 45 -13.232 -1.182 -0.825 1.00 0.00 O ATOM 695 CB LEU A 45 -10.037 -1.992 -1.248 1.00 0.00 C ATOM 696 CG LEU A 45 -8.862 -1.543 -2.113 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.999 -2.732 -2.501 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.370 -0.827 -3.356 1.00 0.00 C ATOM 0 H LEU A 45 -9.231 -0.642 0.637 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.057 -0.103 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.656 -2.611 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.692 -2.623 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.250 -0.850 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.167 -2.392 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.612 -3.210 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.598 -3.448 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.523 -0.511 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.001 -1.503 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.951 0.047 -3.061 1.00 0.00 H new ATOM 710 N GLU A 46 -12.216 -2.071 0.966 1.00 0.00 N ATOM 711 CA GLU A 46 -13.448 -2.669 1.467 1.00 0.00 C ATOM 712 C GLU A 46 -14.253 -1.691 2.319 1.00 0.00 C ATOM 713 O GLU A 46 -15.311 -2.043 2.839 1.00 0.00 O ATOM 714 CB GLU A 46 -13.138 -3.935 2.286 1.00 0.00 C ATOM 715 CG GLU A 46 -12.461 -5.030 1.478 1.00 0.00 C ATOM 716 CD GLU A 46 -12.548 -6.386 2.147 1.00 0.00 C ATOM 717 OE1 GLU A 46 -11.746 -6.659 3.061 1.00 0.00 O ATOM 718 OE2 GLU A 46 -13.427 -7.188 1.760 1.00 0.00 O ATOM 0 H GLU A 46 -11.395 -2.221 1.552 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.051 -2.934 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.498 -3.667 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.067 -4.324 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.921 -5.086 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.413 -4.770 1.327 1.00 0.00 H new ATOM 725 N ARG A 47 -13.769 -0.460 2.446 1.00 0.00 N ATOM 726 CA ARG A 47 -14.458 0.536 3.262 1.00 0.00 C ATOM 727 C ARG A 47 -15.389 1.387 2.400 1.00 0.00 C ATOM 728 O ARG A 47 -16.571 1.530 2.706 1.00 0.00 O ATOM 729 CB ARG A 47 -13.452 1.437 3.989 1.00 0.00 C ATOM 730 CG ARG A 47 -13.943 1.927 5.346 1.00 0.00 C ATOM 731 CD ARG A 47 -14.054 3.446 5.413 1.00 0.00 C ATOM 732 NE ARG A 47 -12.764 4.116 5.216 1.00 0.00 N ATOM 733 CZ ARG A 47 -12.043 4.668 6.199 1.00 0.00 C ATOM 734 NH1 ARG A 47 -12.428 4.569 7.465 1.00 0.00 N ATOM 735 NH2 ARG A 47 -10.920 5.315 5.916 1.00 0.00 N ATOM 0 H ARG A 47 -12.913 -0.130 2.001 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.052 0.006 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.519 0.890 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.228 2.299 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.917 1.485 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.260 1.581 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.757 3.789 4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.465 3.734 6.381 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.392 4.164 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.284 4.067 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.868 4.995 8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.606 5.392 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.371 5.736 6.666 1.00 0.00 H new ATOM 749 N LYS A 48 -14.858 1.939 1.314 1.00 0.00 N ATOM 750 CA LYS A 48 -15.626 2.863 0.483 1.00 0.00 C ATOM 751 C LYS A 48 -15.890 2.290 -0.910 1.00 0.00 C ATOM 752 O LYS A 48 -16.898 2.612 -1.539 1.00 0.00 O ATOM 753 CB LYS A 48 -14.883 4.200 0.368 1.00 0.00 C ATOM 754 CG LYS A 48 -15.620 5.257 -0.446 1.00 0.00 C ATOM 755 CD LYS A 48 -16.949 5.638 0.191 1.00 0.00 C ATOM 756 CE LYS A 48 -17.661 6.726 -0.601 1.00 0.00 C ATOM 757 NZ LYS A 48 -18.002 6.288 -1.983 1.00 0.00 N ATOM 0 H LYS A 48 -13.907 1.765 0.989 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.592 3.019 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.703 4.590 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.908 4.023 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.994 6.145 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.795 4.882 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.588 4.757 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.778 5.983 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.573 7.015 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.027 7.611 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.615 6.999 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.130 6.184 -2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.500 5.376 -1.945 1.00 0.00 H new ATOM 771 N VAL A 49 -14.998 1.437 -1.386 1.00 0.00 N ATOM 772 CA VAL A 49 -15.081 0.948 -2.757 1.00 0.00 C ATOM 773 C VAL A 49 -15.930 -0.322 -2.844 1.00 0.00 C ATOM 774 O VAL A 49 -15.707 -1.278 -2.102 1.00 0.00 O ATOM 775 CB VAL A 49 -13.674 0.669 -3.329 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.747 0.300 -4.802 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.760 1.869 -3.121 1.00 0.00 C ATOM 0 H VAL A 49 -14.212 1.069 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.558 1.728 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.254 -0.180 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.742 0.109 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.357 -0.595 -4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.194 1.122 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.774 1.651 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.180 2.738 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.671 2.078 -2.055 1.00 0.00 H new ATOM 787 N PRO A 50 -16.930 -0.339 -3.742 1.00 0.00 N ATOM 788 CA PRO A 50 -17.748 -1.531 -3.988 1.00 0.00 C ATOM 789 C PRO A 50 -16.904 -2.685 -4.526 1.00 0.00 C ATOM 790 O PRO A 50 -15.918 -2.463 -5.222 1.00 0.00 O ATOM 791 CB PRO A 50 -18.767 -1.069 -5.035 1.00 0.00 C ATOM 792 CG PRO A 50 -18.170 0.149 -5.652 1.00 0.00 C ATOM 793 CD PRO A 50 -17.351 0.800 -4.576 1.00 0.00 C ATOM 0 HA PRO A 50 -18.215 -1.907 -3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.942 -1.843 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.730 -0.846 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.550 -0.112 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.946 0.824 -6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -16.496 1.335 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.935 1.523 -4.006 1.00 0.00 H new ATOM 801 N SER A 51 -17.306 -3.910 -4.203 1.00 0.00 N ATOM 802 CA SER A 51 -16.530 -5.110 -4.521 1.00 0.00 C ATOM 803 C SER A 51 -16.167 -5.206 -6.008 1.00 0.00 C ATOM 804 O SER A 51 -15.068 -5.643 -6.357 1.00 0.00 O ATOM 805 CB SER A 51 -17.314 -6.349 -4.096 1.00 0.00 C ATOM 806 OG SER A 51 -17.764 -6.224 -2.756 1.00 0.00 O ATOM 0 H SER A 51 -18.180 -4.102 -3.713 1.00 0.00 H new ATOM 0 HA SER A 51 -15.592 -5.047 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.167 -6.491 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.685 -7.234 -4.192 1.00 0.00 H new ATOM 0 HG SER A 51 -18.266 -7.027 -2.503 1.00 0.00 H new ATOM 812 N GLU A 52 -17.079 -4.779 -6.874 1.00 0.00 N ATOM 813 CA GLU A 52 -16.859 -4.842 -8.315 1.00 0.00 C ATOM 814 C GLU A 52 -15.669 -3.970 -8.721 1.00 0.00 C ATOM 815 O GLU A 52 -14.739 -4.436 -9.383 1.00 0.00 O ATOM 816 CB GLU A 52 -18.122 -4.396 -9.054 1.00 0.00 C ATOM 817 CG GLU A 52 -18.072 -4.640 -10.553 1.00 0.00 C ATOM 818 CD GLU A 52 -17.875 -6.103 -10.899 1.00 0.00 C ATOM 819 OE1 GLU A 52 -18.767 -6.918 -10.588 1.00 0.00 O ATOM 820 OE2 GLU A 52 -16.830 -6.445 -11.490 1.00 0.00 O ATOM 0 H GLU A 52 -17.980 -4.385 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.633 -5.873 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.981 -4.923 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.282 -3.333 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.997 -4.285 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.260 -4.056 -10.986 1.00 0.00 H new ATOM 827 N SER A 53 -15.689 -2.714 -8.300 1.00 0.00 N ATOM 828 CA SER A 53 -14.615 -1.783 -8.622 1.00 0.00 C ATOM 829 C SER A 53 -13.396 -2.036 -7.736 1.00 0.00 C ATOM 830 O SER A 53 -12.280 -1.657 -8.077 1.00 0.00 O ATOM 831 CB SER A 53 -15.104 -0.346 -8.442 1.00 0.00 C ATOM 832 OG SER A 53 -16.317 -0.140 -9.145 1.00 0.00 O ATOM 0 H SER A 53 -16.438 -2.315 -7.734 1.00 0.00 H new ATOM 0 HA SER A 53 -14.322 -1.936 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.251 -0.136 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.346 0.350 -8.802 1.00 0.00 H new ATOM 0 HG SER A 53 -16.616 0.784 -9.017 1.00 0.00 H new ATOM 838 N ARG A 54 -13.629 -2.695 -6.609 1.00 0.00 N ATOM 839 CA ARG A 54 -12.585 -2.993 -5.636 1.00 0.00 C ATOM 840 C ARG A 54 -11.438 -3.765 -6.282 1.00 0.00 C ATOM 841 O ARG A 54 -10.269 -3.519 -5.985 1.00 0.00 O ATOM 842 CB ARG A 54 -13.191 -3.794 -4.482 1.00 0.00 C ATOM 843 CG ARG A 54 -12.289 -3.953 -3.271 1.00 0.00 C ATOM 844 CD ARG A 54 -13.034 -4.629 -2.130 1.00 0.00 C ATOM 845 NE ARG A 54 -14.220 -3.867 -1.729 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.233 -4.363 -1.017 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.221 -5.628 -0.614 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.260 -3.584 -0.705 1.00 0.00 N ATOM 0 H ARG A 54 -14.551 -3.040 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.176 -2.057 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.115 -3.308 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.461 -4.784 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.412 -4.543 -3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.929 -2.976 -2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.332 -5.632 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.367 -4.740 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.275 -2.889 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.432 -6.230 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.001 -5.997 -0.070 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.273 -2.611 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.037 -3.958 -0.161 1.00 0.00 H new ATOM 862 N GLN A 55 -11.775 -4.685 -7.178 1.00 0.00 N ATOM 863 CA GLN A 55 -10.761 -5.461 -7.877 1.00 0.00 C ATOM 864 C GLN A 55 -10.082 -4.618 -8.953 1.00 0.00 C ATOM 865 O GLN A 55 -8.874 -4.722 -9.164 1.00 0.00 O ATOM 866 CB GLN A 55 -11.367 -6.720 -8.500 1.00 0.00 C ATOM 867 CG GLN A 55 -12.014 -7.651 -7.485 1.00 0.00 C ATOM 868 CD GLN A 55 -12.300 -9.025 -8.056 1.00 0.00 C ATOM 869 OE1 GLN A 55 -11.463 -9.927 -7.977 1.00 0.00 O ATOM 870 NE2 GLN A 55 -13.479 -9.199 -8.633 1.00 0.00 N ATOM 0 H GLN A 55 -12.736 -4.910 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.012 -5.765 -7.146 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.113 -6.427 -9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.587 -7.263 -9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.359 -7.750 -6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.945 -7.207 -7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.144 -8.427 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.722 -10.105 -9.033 1.00 0.00 H new ATOM 879 N ALA A 56 -10.861 -3.766 -9.613 1.00 0.00 N ATOM 880 CA ALA A 56 -10.336 -2.901 -10.665 1.00 0.00 C ATOM 881 C ALA A 56 -9.327 -1.906 -10.100 1.00 0.00 C ATOM 882 O ALA A 56 -8.266 -1.684 -10.687 1.00 0.00 O ATOM 883 CB ALA A 56 -11.467 -2.165 -11.368 1.00 0.00 C ATOM 0 H ALA A 56 -11.860 -3.656 -9.438 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.825 -3.530 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.055 -1.525 -12.149 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.150 -2.888 -11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.007 -1.553 -10.646 1.00 0.00 H new ATOM 889 N VAL A 57 -9.658 -1.321 -8.953 1.00 0.00 N ATOM 890 CA VAL A 57 -8.767 -0.377 -8.288 1.00 0.00 C ATOM 891 C VAL A 57 -7.453 -1.057 -7.911 1.00 0.00 C ATOM 892 O VAL A 57 -6.385 -0.472 -8.058 1.00 0.00 O ATOM 893 CB VAL A 57 -9.415 0.230 -7.023 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.457 1.183 -6.323 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.708 0.948 -7.377 1.00 0.00 C ATOM 0 H VAL A 57 -10.538 -1.485 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.571 0.432 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.645 -0.587 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.938 1.596 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.557 0.643 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.189 1.993 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.150 1.369 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.497 1.749 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.405 0.241 -7.826 1.00 0.00 H new ATOM 905 N ALA A 58 -7.540 -2.302 -7.455 1.00 0.00 N ATOM 906 CA ALA A 58 -6.352 -3.067 -7.084 1.00 0.00 C ATOM 907 C ALA A 58 -5.426 -3.252 -8.284 1.00 0.00 C ATOM 908 O ALA A 58 -4.204 -3.149 -8.161 1.00 0.00 O ATOM 909 CB ALA A 58 -6.752 -4.416 -6.506 1.00 0.00 C ATOM 0 H ALA A 58 -8.420 -2.804 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.809 -2.508 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.857 -4.975 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.368 -4.264 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.318 -4.977 -7.250 1.00 0.00 H new ATOM 915 N GLU A 59 -6.020 -3.509 -9.444 1.00 0.00 N ATOM 916 CA GLU A 59 -5.269 -3.662 -10.685 1.00 0.00 C ATOM 917 C GLU A 59 -4.528 -2.371 -11.033 1.00 0.00 C ATOM 918 O GLU A 59 -3.356 -2.394 -11.414 1.00 0.00 O ATOM 919 CB GLU A 59 -6.216 -4.029 -11.826 1.00 0.00 C ATOM 920 CG GLU A 59 -6.940 -5.351 -11.637 1.00 0.00 C ATOM 921 CD GLU A 59 -6.060 -6.550 -11.913 1.00 0.00 C ATOM 922 OE1 GLU A 59 -5.492 -6.626 -13.026 1.00 0.00 O ATOM 923 OE2 GLU A 59 -5.953 -7.431 -11.035 1.00 0.00 O ATOM 0 H GLU A 59 -7.029 -3.617 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.538 -4.459 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.955 -3.236 -11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.648 -4.069 -12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.316 -5.410 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.806 -5.383 -12.298 1.00 0.00 H new ATOM 930 N GLN A 60 -5.221 -1.246 -10.894 1.00 0.00 N ATOM 931 CA GLN A 60 -4.645 0.061 -11.209 1.00 0.00 C ATOM 932 C GLN A 60 -3.634 0.475 -10.145 1.00 0.00 C ATOM 933 O GLN A 60 -2.662 1.171 -10.434 1.00 0.00 O ATOM 934 CB GLN A 60 -5.748 1.113 -11.316 1.00 0.00 C ATOM 935 CG GLN A 60 -6.801 0.791 -12.364 1.00 0.00 C ATOM 936 CD GLN A 60 -7.874 1.856 -12.451 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.883 1.795 -11.752 1.00 0.00 O ATOM 938 NE2 GLN A 60 -7.662 2.837 -13.313 1.00 0.00 N ATOM 0 H GLN A 60 -6.186 -1.211 -10.564 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.131 -0.014 -12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.234 1.217 -10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.297 2.077 -11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.321 0.683 -13.336 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.263 -0.168 -12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.810 2.848 -13.873 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.351 3.582 -13.417 1.00 0.00 H new ATOM 947 N PHE A 61 -3.879 0.050 -8.911 1.00 0.00 N ATOM 948 CA PHE A 61 -2.952 0.284 -7.812 1.00 0.00 C ATOM 949 C PHE A 61 -1.611 -0.363 -8.135 1.00 0.00 C ATOM 950 O PHE A 61 -0.554 0.242 -7.956 1.00 0.00 O ATOM 951 CB PHE A 61 -3.530 -0.293 -6.513 1.00 0.00 C ATOM 952 CG PHE A 61 -2.767 0.080 -5.272 1.00 0.00 C ATOM 953 CD1 PHE A 61 -1.720 -0.708 -4.818 1.00 0.00 C ATOM 954 CD2 PHE A 61 -3.106 1.216 -4.551 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.028 -0.372 -3.669 1.00 0.00 C ATOM 956 CE2 PHE A 61 -2.417 1.556 -3.403 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.376 0.761 -2.963 1.00 0.00 C ATOM 0 H PHE A 61 -4.720 -0.463 -8.646 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.804 1.356 -7.678 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.560 0.046 -6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.559 -1.380 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.442 -1.595 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.918 1.842 -4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.216 -0.996 -3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.692 2.442 -2.850 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.835 1.026 -2.067 1.00 0.00 H new ATOM 967 N ALA A 62 -1.676 -1.588 -8.642 1.00 0.00 N ATOM 968 CA ALA A 62 -0.492 -2.315 -9.076 1.00 0.00 C ATOM 969 C ALA A 62 0.224 -1.563 -10.195 1.00 0.00 C ATOM 970 O ALA A 62 1.456 -1.505 -10.233 1.00 0.00 O ATOM 971 CB ALA A 62 -0.888 -3.707 -9.542 1.00 0.00 C ATOM 0 H ALA A 62 -2.548 -2.103 -8.763 1.00 0.00 H new ATOM 0 HA ALA A 62 0.195 -2.402 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.001 -4.249 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.361 -4.245 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.588 -3.627 -10.374 1.00 0.00 H new ATOM 977 N LYS A 63 -0.564 -0.986 -11.095 1.00 0.00 N ATOM 978 CA LYS A 63 -0.033 -0.216 -12.215 1.00 0.00 C ATOM 979 C LYS A 63 0.758 0.986 -11.709 1.00 0.00 C ATOM 980 O LYS A 63 1.819 1.319 -12.241 1.00 0.00 O ATOM 981 CB LYS A 63 -1.181 0.265 -13.110 1.00 0.00 C ATOM 982 CG LYS A 63 -0.723 0.889 -14.418 1.00 0.00 C ATOM 983 CD LYS A 63 -0.309 -0.171 -15.427 1.00 0.00 C ATOM 984 CE LYS A 63 -1.511 -0.959 -15.925 1.00 0.00 C ATOM 985 NZ LYS A 63 -1.137 -1.972 -16.944 1.00 0.00 N ATOM 0 H LYS A 63 -1.582 -1.038 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 63 0.632 -0.859 -12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.834 -0.579 -13.331 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.776 0.994 -12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.528 1.495 -14.835 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.115 1.559 -14.229 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.193 0.303 -16.271 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.410 -0.851 -14.969 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.992 -1.455 -15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.242 -0.272 -16.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.988 -2.484 -17.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.702 -1.498 -17.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.459 -2.645 -16.532 1.00 0.00 H new ATOM 999 N ALA A 64 0.230 1.628 -10.673 1.00 0.00 N ATOM 1000 CA ALA A 64 0.850 2.810 -10.097 1.00 0.00 C ATOM 1001 C ALA A 64 2.211 2.485 -9.492 1.00 0.00 C ATOM 1002 O ALA A 64 3.178 3.228 -9.691 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.063 3.428 -9.047 1.00 0.00 C ATOM 0 H ALA A 64 -0.635 1.344 -10.213 1.00 0.00 H new ATOM 0 HA ALA A 64 1.005 3.531 -10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.415 4.312 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.009 3.712 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.250 2.703 -8.255 1.00 0.00 H new ATOM 1009 N LEU A 65 2.296 1.370 -8.768 1.00 0.00 N ATOM 1010 CA LEU A 65 3.547 0.992 -8.119 1.00 0.00 C ATOM 1011 C LEU A 65 4.603 0.690 -9.177 1.00 0.00 C ATOM 1012 O LEU A 65 5.729 1.179 -9.100 1.00 0.00 O ATOM 1013 CB LEU A 65 3.387 -0.233 -7.208 1.00 0.00 C ATOM 1014 CG LEU A 65 2.092 -0.330 -6.397 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.229 -1.404 -5.336 1.00 0.00 C ATOM 1016 CD2 LEU A 65 1.714 0.994 -5.751 1.00 0.00 C ATOM 0 H LEU A 65 1.524 0.721 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 65 3.854 1.833 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.468 -1.128 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.225 -0.249 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 65 1.292 -0.592 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.305 -1.468 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.428 -2.364 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.054 -1.153 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.789 0.873 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.510 1.311 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.571 1.749 -6.524 1.00 0.00 H new ATOM 1028 N ALA A 66 4.214 -0.096 -10.177 1.00 0.00 N ATOM 1029 CA ALA A 66 5.120 -0.485 -11.254 1.00 0.00 C ATOM 1030 C ALA A 66 5.653 0.737 -11.995 1.00 0.00 C ATOM 1031 O ALA A 66 6.809 0.765 -12.417 1.00 0.00 O ATOM 1032 CB ALA A 66 4.415 -1.424 -12.223 1.00 0.00 C ATOM 0 H ALA A 66 3.272 -0.478 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 66 5.968 -1.006 -10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.102 -1.706 -13.021 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.089 -2.318 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.548 -0.921 -12.651 1.00 0.00 H new ATOM 1038 N GLN A 67 4.800 1.745 -12.137 1.00 0.00 N ATOM 1039 CA GLN A 67 5.175 2.996 -12.787 1.00 0.00 C ATOM 1040 C GLN A 67 6.314 3.676 -12.026 1.00 0.00 C ATOM 1041 O GLN A 67 7.284 4.145 -12.626 1.00 0.00 O ATOM 1042 CB GLN A 67 3.954 3.916 -12.866 1.00 0.00 C ATOM 1043 CG GLN A 67 4.210 5.244 -13.563 1.00 0.00 C ATOM 1044 CD GLN A 67 2.952 6.084 -13.690 1.00 0.00 C ATOM 1045 OE1 GLN A 67 1.808 5.425 -13.804 1.00 0.00 O flip ATOM 1046 NE2 GLN A 67 3.004 7.314 -13.690 1.00 0.00 N flip ATOM 0 H GLN A 67 3.835 1.719 -11.807 1.00 0.00 H new ATOM 0 HA GLN A 67 5.526 2.783 -13.797 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.154 3.393 -13.390 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.597 4.113 -11.855 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.962 5.804 -13.007 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.620 5.057 -14.555 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.904 7.786 -13.600 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.148 7.861 -13.780 1.00 0.00 H new ATOM 1055 N SER A 68 6.198 3.703 -10.705 1.00 0.00 N ATOM 1056 CA SER A 68 7.223 4.302 -9.865 1.00 0.00 C ATOM 1057 C SER A 68 8.484 3.439 -9.866 1.00 0.00 C ATOM 1058 O SER A 68 9.590 3.944 -10.072 1.00 0.00 O ATOM 1059 CB SER A 68 6.696 4.484 -8.437 1.00 0.00 C ATOM 1060 OG SER A 68 7.610 5.213 -7.636 1.00 0.00 O ATOM 0 H SER A 68 5.404 3.317 -10.194 1.00 0.00 H new ATOM 0 HA SER A 68 7.478 5.282 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.739 5.005 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.515 3.508 -7.988 1.00 0.00 H new ATOM 0 HG SER A 68 7.245 5.314 -6.732 1.00 0.00 H new ATOM 1066 N VAL A 69 8.306 2.132 -9.666 1.00 0.00 N ATOM 1067 CA VAL A 69 9.426 1.192 -9.617 1.00 0.00 C ATOM 1068 C VAL A 69 10.264 1.256 -10.892 1.00 0.00 C ATOM 1069 O VAL A 69 11.493 1.298 -10.836 1.00 0.00 O ATOM 1070 CB VAL A 69 8.935 -0.259 -9.410 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.092 -1.245 -9.498 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.227 -0.399 -8.073 1.00 0.00 C ATOM 0 H VAL A 69 7.392 1.699 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 69 10.044 1.486 -8.768 1.00 0.00 H new ATOM 0 HB VAL A 69 8.227 -0.489 -10.206 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.719 -2.258 -9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.559 -1.171 -10.480 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.828 -1.012 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.889 -1.427 -7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.915 -0.141 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.368 0.271 -8.044 1.00 0.00 H new ATOM 1082 N LYS A 70 9.594 1.281 -12.038 1.00 0.00 N ATOM 1083 CA LYS A 70 10.278 1.318 -13.324 1.00 0.00 C ATOM 1084 C LYS A 70 11.165 2.557 -13.429 1.00 0.00 C ATOM 1085 O LYS A 70 12.294 2.485 -13.916 1.00 0.00 O ATOM 1086 CB LYS A 70 9.264 1.295 -14.469 1.00 0.00 C ATOM 1087 CG LYS A 70 9.912 1.259 -15.839 1.00 0.00 C ATOM 1088 CD LYS A 70 8.883 1.190 -16.957 1.00 0.00 C ATOM 1089 CE LYS A 70 8.111 -0.119 -16.924 1.00 0.00 C ATOM 1090 NZ LYS A 70 7.214 -0.270 -18.101 1.00 0.00 N ATOM 0 H LYS A 70 8.576 1.276 -12.102 1.00 0.00 H new ATOM 0 HA LYS A 70 10.911 0.434 -13.399 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.618 0.424 -14.357 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.626 2.176 -14.399 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.530 2.147 -15.970 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.575 0.396 -15.903 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.189 2.025 -16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.383 1.295 -17.920 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.813 -0.952 -16.894 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.520 -0.168 -16.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.707 -1.176 -18.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.527 0.510 -18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.780 -0.250 -18.973 1.00 0.00 H new ATOM 1392 N SER B 8 4.111 -10.437 16.439 1.00 0.00 N ATOM 1393 CA SER B 8 2.795 -11.050 16.520 1.00 0.00 C ATOM 1394 C SER B 8 1.778 -10.217 15.746 1.00 0.00 C ATOM 1395 O SER B 8 2.033 -9.053 15.428 1.00 0.00 O ATOM 1396 CB SER B 8 2.377 -11.182 17.986 1.00 0.00 C ATOM 1397 OG SER B 8 1.169 -11.909 18.116 1.00 0.00 O ATOM 0 HA SER B 8 2.834 -12.044 16.074 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.166 -11.682 18.547 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.255 -10.190 18.422 1.00 0.00 H new ATOM 0 HG SER B 8 0.929 -11.978 19.064 1.00 0.00 H new ATOM 1403 N ASN B 9 0.625 -10.811 15.450 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.432 -10.113 14.725 1.00 0.00 C ATOM 1405 C ASN B 9 -0.931 -8.926 15.538 1.00 0.00 C ATOM 1406 O ASN B 9 -1.435 -7.954 14.984 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.596 -11.061 14.390 1.00 0.00 C ATOM 1408 CG ASN B 9 -2.442 -11.424 15.599 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -2.121 -12.352 16.340 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -3.548 -10.714 15.789 1.00 0.00 N ATOM 0 H ASN B 9 0.399 -11.774 15.701 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.016 -9.749 13.786 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -2.231 -10.593 13.638 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.197 -11.974 13.947 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -4.165 -10.931 16.571 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.780 -9.952 15.152 1.00 0.00 H new ATOM 1417 N THR B 10 -0.776 -9.007 16.856 1.00 0.00 N ATOM 1418 CA THR B 10 -1.110 -7.900 17.737 1.00 0.00 C ATOM 1419 C THR B 10 -0.193 -6.706 17.461 1.00 0.00 C ATOM 1420 O THR B 10 -0.620 -5.553 17.515 1.00 0.00 O ATOM 1421 CB THR B 10 -0.987 -8.318 19.215 1.00 0.00 C ATOM 1422 OG1 THR B 10 -1.691 -9.549 19.422 1.00 0.00 O ATOM 1423 CG2 THR B 10 -1.547 -7.244 20.134 1.00 0.00 C ATOM 0 H THR B 10 -0.419 -9.833 17.336 1.00 0.00 H new ATOM 0 HA THR B 10 -2.143 -7.613 17.541 1.00 0.00 H new ATOM 0 HB THR B 10 0.069 -8.451 19.451 1.00 0.00 H new ATOM 0 HG1 THR B 10 -1.612 -9.817 20.361 1.00 0.00 H new ATOM 0 HG21 THR B 10 -1.448 -7.565 21.171 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.995 -6.315 19.987 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.600 -7.081 19.904 1.00 0.00 H new ATOM 1431 N GLN B 11 1.062 -6.998 17.136 1.00 0.00 N ATOM 1432 CA GLN B 11 2.030 -5.963 16.801 1.00 0.00 C ATOM 1433 C GLN B 11 1.686 -5.358 15.446 1.00 0.00 C ATOM 1434 O GLN B 11 1.733 -4.140 15.263 1.00 0.00 O ATOM 1435 CB GLN B 11 3.449 -6.547 16.786 1.00 0.00 C ATOM 1436 CG GLN B 11 4.533 -5.532 16.461 1.00 0.00 C ATOM 1437 CD GLN B 11 4.562 -4.368 17.434 1.00 0.00 C ATOM 1438 OE1 GLN B 11 4.198 -4.505 18.600 1.00 0.00 O ATOM 1439 NE2 GLN B 11 4.996 -3.211 16.960 1.00 0.00 N ATOM 0 H GLN B 11 1.433 -7.948 17.098 1.00 0.00 H new ATOM 0 HA GLN B 11 1.991 -5.179 17.557 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.659 -6.988 17.760 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.491 -7.354 16.055 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.503 -6.029 16.468 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.377 -5.152 15.452 1.00 0.00 H new ATOM 0 HE21 GLN B 11 5.290 -3.137 15.986 1.00 0.00 H new ATOM 0 HE22 GLN B 11 5.037 -2.394 17.569 1.00 0.00 H new ATOM 1448 N VAL B 12 1.320 -6.220 14.505 1.00 0.00 N ATOM 1449 CA VAL B 12 0.882 -5.779 13.188 1.00 0.00 C ATOM 1450 C VAL B 12 -0.358 -4.899 13.319 1.00 0.00 C ATOM 1451 O VAL B 12 -0.412 -3.796 12.774 1.00 0.00 O ATOM 1452 CB VAL B 12 0.557 -6.976 12.268 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.219 -6.503 10.862 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.711 -7.966 12.240 1.00 0.00 C ATOM 0 H VAL B 12 1.318 -7.232 14.631 1.00 0.00 H new ATOM 0 HA VAL B 12 1.699 -5.212 12.742 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.317 -7.485 12.674 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.006 -7.364 10.233 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.648 -5.844 10.899 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.069 -5.962 10.446 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.459 -8.800 11.586 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.607 -7.470 11.867 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.896 -8.338 13.248 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.335 -5.394 14.073 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.589 -4.684 14.305 1.00 0.00 C ATOM 1466 C GLU B 13 -2.325 -3.319 14.942 1.00 0.00 C ATOM 1467 O GLU B 13 -2.973 -2.327 14.603 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.490 -5.519 15.221 1.00 0.00 C ATOM 1469 CG GLU B 13 -4.964 -5.168 15.132 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.572 -5.578 13.806 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.010 -6.747 13.682 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -5.617 -4.748 12.883 1.00 0.00 O ATOM 0 H GLU B 13 -1.280 -6.299 14.541 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.086 -4.529 13.347 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.363 -6.573 14.974 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.159 -5.391 16.252 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.502 -5.658 15.943 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.089 -4.094 15.270 1.00 0.00 H new ATOM 1479 N SER B 14 -1.360 -3.282 15.859 1.00 0.00 N ATOM 1480 CA SER B 14 -0.972 -2.047 16.527 1.00 0.00 C ATOM 1481 C SER B 14 -0.535 -0.996 15.512 1.00 0.00 C ATOM 1482 O SER B 14 -0.899 0.173 15.627 1.00 0.00 O ATOM 1483 CB SER B 14 0.160 -2.316 17.528 1.00 0.00 C ATOM 1484 OG SER B 14 0.580 -1.119 18.167 1.00 0.00 O ATOM 0 H SER B 14 -0.830 -4.102 16.156 1.00 0.00 H new ATOM 0 HA SER B 14 -1.839 -1.665 17.067 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.177 -3.032 18.278 1.00 0.00 H new ATOM 0 HB3 SER B 14 1.005 -2.770 17.011 1.00 0.00 H new ATOM 0 HG SER B 14 1.300 -1.321 18.800 1.00 0.00 H new ATOM 1490 N LEU B 15 0.239 -1.413 14.518 1.00 0.00 N ATOM 1491 CA LEU B 15 0.690 -0.488 13.493 1.00 0.00 C ATOM 1492 C LEU B 15 -0.445 -0.129 12.549 1.00 0.00 C ATOM 1493 O LEU B 15 -0.588 1.029 12.184 1.00 0.00 O ATOM 1494 CB LEU B 15 1.882 -1.042 12.713 1.00 0.00 C ATOM 1495 CG LEU B 15 3.251 -0.716 13.317 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.466 -1.463 14.622 1.00 0.00 C ATOM 1497 CD2 LEU B 15 4.360 -1.031 12.328 1.00 0.00 C ATOM 0 H LEU B 15 0.563 -2.373 14.402 1.00 0.00 H new ATOM 0 HA LEU B 15 1.020 0.419 13.999 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.780 -2.125 12.642 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.847 -0.651 11.696 1.00 0.00 H new ATOM 0 HG LEU B 15 3.277 0.352 13.535 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.446 -1.212 15.028 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.694 -1.177 15.336 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.413 -2.536 14.440 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.325 -0.793 12.775 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.330 -2.090 12.073 1.00 0.00 H new ATOM 0 HD23 LEU B 15 4.222 -0.436 11.425 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.260 -1.113 12.175 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.408 -0.862 11.304 1.00 0.00 C ATOM 1511 C ILE B 16 -3.283 0.249 11.882 1.00 0.00 C ATOM 1512 O ILE B 16 -3.677 1.175 11.174 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.267 -2.133 11.103 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.431 -3.240 10.453 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -4.496 -1.823 10.250 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -3.156 -4.564 10.334 1.00 0.00 C ATOM 0 H ILE B 16 -1.149 -2.086 12.459 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.014 -0.557 10.335 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.607 -2.479 12.079 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -2.124 -2.914 9.459 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.522 -3.386 11.036 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -5.087 -2.730 10.120 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.101 -1.064 10.746 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -4.178 -1.454 9.275 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.500 -5.297 9.864 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.440 -4.914 11.327 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -4.051 -4.435 9.725 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.559 0.156 13.177 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.354 1.162 13.866 1.00 0.00 C ATOM 1530 C ALA B 17 -3.627 2.504 13.915 1.00 0.00 C ATOM 1531 O ALA B 17 -4.249 3.561 13.818 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.694 0.691 15.272 1.00 0.00 C ATOM 0 H ALA B 17 -3.242 -0.609 13.772 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.279 1.303 13.307 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.289 1.452 15.777 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.263 -0.237 15.217 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -3.774 0.520 15.831 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.309 2.457 14.051 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.508 3.670 14.147 1.00 0.00 C ATOM 1540 C GLU B 18 -1.438 4.385 12.796 1.00 0.00 C ATOM 1541 O GLU B 18 -1.600 5.606 12.722 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.100 3.339 14.638 1.00 0.00 C ATOM 1543 CG GLU B 18 0.405 4.284 15.714 1.00 0.00 C ATOM 1544 CD GLU B 18 -0.379 4.168 17.006 1.00 0.00 C ATOM 1545 OE1 GLU B 18 -0.109 3.230 17.782 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -1.255 5.023 17.260 1.00 0.00 O ATOM 0 H GLU B 18 -1.771 1.592 14.097 1.00 0.00 H new ATOM 0 HA GLU B 18 -1.986 4.336 14.865 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.089 2.321 15.026 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.587 3.365 13.792 1.00 0.00 H new ATOM 0 HG2 GLU B 18 1.456 4.075 15.911 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.347 5.309 15.349 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.208 3.618 11.728 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.171 4.180 10.377 1.00 0.00 C ATOM 1555 C ILE B 19 -2.550 4.736 10.029 1.00 0.00 C ATOM 1556 O ILE B 19 -2.678 5.744 9.329 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.784 3.133 9.304 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.388 2.256 9.756 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.418 3.831 8.006 1.00 0.00 C ATOM 1560 CD1 ILE B 19 1.733 2.952 9.757 1.00 0.00 C ATOM 0 H ILE B 19 -1.046 2.612 11.772 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.410 4.961 10.375 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.649 2.488 9.151 1.00 0.00 H new ATOM 0 HG12 ILE B 19 0.183 1.889 10.762 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.445 1.385 9.104 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.147 3.087 7.257 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.271 4.410 7.651 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.427 4.498 8.177 1.00 0.00 H new ATOM 0 HD11 ILE B 19 2.503 2.256 10.090 1.00 0.00 H new ATOM 0 HD12 ILE B 19 1.966 3.295 8.749 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.700 3.807 10.432 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.575 4.055 10.541 1.00 0.00 N ATOM 1573 CA LEU B 20 -4.962 4.472 10.379 1.00 0.00 C ATOM 1574 C LEU B 20 -5.155 5.890 10.896 1.00 0.00 C ATOM 1575 O LEU B 20 -5.721 6.744 10.208 1.00 0.00 O ATOM 1576 CB LEU B 20 -5.881 3.519 11.149 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.939 2.805 10.313 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.909 3.811 9.716 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.281 1.973 9.223 1.00 0.00 C ATOM 0 H LEU B 20 -3.463 3.197 11.081 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.212 4.446 9.318 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -5.264 2.767 11.642 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -6.384 4.083 11.934 1.00 0.00 H new ATOM 0 HG LEU B 20 -7.502 2.133 10.961 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -8.658 3.286 9.122 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -8.402 4.361 10.518 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -7.364 4.508 9.079 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -7.049 1.470 8.636 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.695 2.623 8.573 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.627 1.229 9.678 1.00 0.00 H new ATOM 1591 N VAL B 21 -4.664 6.128 12.109 1.00 0.00 N ATOM 1592 CA VAL B 21 -4.757 7.436 12.738 1.00 0.00 C ATOM 1593 C VAL B 21 -4.132 8.504 11.845 1.00 0.00 C ATOM 1594 O VAL B 21 -4.739 9.539 11.602 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.068 7.450 14.122 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -4.130 8.835 14.750 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -4.705 6.424 15.045 1.00 0.00 C ATOM 0 H VAL B 21 -4.194 5.423 12.678 1.00 0.00 H new ATOM 0 HA VAL B 21 -5.815 7.655 12.879 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.020 7.188 13.978 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -3.638 8.816 15.722 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -3.625 9.551 14.102 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -5.171 9.131 14.876 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -4.207 6.448 16.014 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -5.762 6.657 15.174 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -4.603 5.430 14.609 1.00 0.00 H new ATOM 1607 N VAL B 22 -2.932 8.224 11.343 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.201 9.172 10.496 1.00 0.00 C ATOM 1609 C VAL B 22 -3.067 9.684 9.346 1.00 0.00 C ATOM 1610 O VAL B 22 -3.316 10.890 9.231 1.00 0.00 O ATOM 1611 CB VAL B 22 -0.932 8.532 9.907 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.160 9.537 9.069 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.056 7.971 11.012 1.00 0.00 C ATOM 0 H VAL B 22 -2.441 7.345 11.507 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.924 10.009 11.138 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.234 7.710 9.258 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.733 9.062 8.663 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -0.789 9.888 8.251 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.130 10.383 9.692 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.837 7.522 10.576 1.00 0.00 H new ATOM 0 HG22 VAL B 22 0.235 8.774 11.689 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -0.610 7.213 11.566 1.00 0.00 H new ATOM 1623 N LEU B 23 -3.515 8.762 8.503 1.00 0.00 N ATOM 1624 CA LEU B 23 -4.365 9.095 7.363 1.00 0.00 C ATOM 1625 C LEU B 23 -5.576 9.930 7.770 1.00 0.00 C ATOM 1626 O LEU B 23 -5.838 10.992 7.191 1.00 0.00 O ATOM 1627 CB LEU B 23 -4.846 7.814 6.684 1.00 0.00 C ATOM 1628 CG LEU B 23 -3.753 6.982 6.017 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.307 5.636 5.579 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.174 7.734 4.828 1.00 0.00 C ATOM 0 H LEU B 23 -3.302 7.768 8.588 1.00 0.00 H new ATOM 0 HA LEU B 23 -3.764 9.689 6.674 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.349 7.195 7.427 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -5.590 8.078 5.932 1.00 0.00 H new ATOM 0 HG LEU B 23 -2.955 6.807 6.739 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.517 5.054 5.105 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.683 5.097 6.449 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.119 5.791 4.869 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.396 7.131 4.360 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.964 7.933 4.103 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -2.747 8.678 5.167 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.299 9.467 8.776 1.00 0.00 N ATOM 1643 CA GLU B 24 -7.577 10.067 9.126 1.00 0.00 C ATOM 1644 C GLU B 24 -7.434 11.250 10.088 1.00 0.00 C ATOM 1645 O GLU B 24 -8.429 11.872 10.461 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.529 9.000 9.670 1.00 0.00 C ATOM 1647 CG GLU B 24 -8.902 7.966 8.609 1.00 0.00 C ATOM 1648 CD GLU B 24 -9.983 6.997 9.047 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -10.756 7.339 9.965 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -10.078 5.903 8.447 1.00 0.00 O ATOM 0 H GLU B 24 -6.024 8.680 9.364 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.006 10.481 8.214 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.063 8.497 10.517 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.434 9.479 10.043 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.236 8.486 7.711 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -8.010 7.401 8.337 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.202 11.570 10.487 1.00 0.00 N ATOM 1658 CA LYS B 25 -5.940 12.840 11.171 1.00 0.00 C ATOM 1659 C LYS B 25 -6.107 13.977 10.179 1.00 0.00 C ATOM 1660 O LYS B 25 -6.722 15.001 10.474 1.00 0.00 O ATOM 1661 CB LYS B 25 -4.527 12.909 11.753 1.00 0.00 C ATOM 1662 CG LYS B 25 -4.307 12.076 12.999 1.00 0.00 C ATOM 1663 CD LYS B 25 -2.981 12.420 13.660 1.00 0.00 C ATOM 1664 CE LYS B 25 -1.807 12.284 12.701 1.00 0.00 C ATOM 1665 NZ LYS B 25 -0.524 12.685 13.342 1.00 0.00 N ATOM 0 H LYS B 25 -5.381 10.979 10.352 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.648 12.921 11.996 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -3.819 12.587 10.989 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -4.296 13.949 11.984 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.122 12.246 13.702 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -4.324 11.017 12.740 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.021 13.441 14.040 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -2.824 11.766 14.518 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -1.735 11.252 12.357 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.983 12.902 11.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 0.233 12.693 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -0.623 13.635 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -0.284 12.007 14.093 1.00 0.00 H new ATOM 1679 N HIS B 26 -5.561 13.771 8.988 1.00 0.00 N ATOM 1680 CA HIS B 26 -5.644 14.764 7.925 1.00 0.00 C ATOM 1681 C HIS B 26 -7.027 14.726 7.299 1.00 0.00 C ATOM 1682 O HIS B 26 -7.458 15.688 6.663 1.00 0.00 O ATOM 1683 CB HIS B 26 -4.579 14.517 6.848 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.168 14.770 7.298 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.380 15.779 6.781 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -2.399 14.131 8.210 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -1.189 15.741 7.352 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -1.179 14.753 8.223 1.00 0.00 N ATOM 0 H HIS B 26 -5.055 12.923 8.733 1.00 0.00 H new ATOM 0 HA HIS B 26 -5.463 15.747 8.360 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -4.658 13.485 6.506 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -4.793 15.154 5.990 1.00 0.00 H new ATOM 0 HD1 HIS B 26 -2.672 16.449 6.069 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.693 13.287 8.816 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.365 16.406 7.141 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -0.389 14.493 8.813 1.00 0.00 H new ATOM 1697 N LYS B 27 -7.725 13.606 7.511 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.064 13.395 6.962 1.00 0.00 C ATOM 1699 C LYS B 27 -9.002 13.322 5.445 1.00 0.00 C ATOM 1700 O LYS B 27 -9.860 13.860 4.746 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.012 14.512 7.410 1.00 0.00 C ATOM 1702 CG LYS B 27 -10.241 14.544 8.910 1.00 0.00 C ATOM 1703 CD LYS B 27 -10.910 15.835 9.353 1.00 0.00 C ATOM 1704 CE LYS B 27 -9.908 16.974 9.516 1.00 0.00 C ATOM 1705 NZ LYS B 27 -9.262 17.371 8.233 1.00 0.00 N ATOM 0 H LYS B 27 -7.378 12.824 8.066 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.451 12.449 7.341 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -9.606 15.472 7.092 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.971 14.388 6.906 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.860 13.696 9.201 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -9.287 14.434 9.425 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -11.667 16.120 8.622 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.427 15.669 10.298 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -10.416 17.839 9.943 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -9.138 16.674 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -8.795 18.293 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -8.555 16.657 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -9.984 17.441 7.488 1.00 0.00 H new ATOM 1719 N ALA B 28 -7.981 12.636 4.950 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.764 12.509 3.520 1.00 0.00 C ATOM 1721 C ALA B 28 -8.912 11.757 2.857 1.00 0.00 C ATOM 1722 O ALA B 28 -9.369 10.734 3.369 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.445 11.801 3.257 1.00 0.00 C ATOM 0 H ALA B 28 -7.287 12.157 5.524 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.724 13.509 3.088 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.289 11.709 2.182 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.629 12.377 3.694 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.469 10.808 3.706 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.406 12.270 1.721 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.465 11.613 0.955 1.00 0.00 C ATOM 1731 C PRO B 29 -9.996 10.279 0.386 1.00 0.00 C ATOM 1732 O PRO B 29 -8.801 9.973 0.407 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.767 12.603 -0.177 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.543 13.442 -0.291 1.00 0.00 C ATOM 1735 CD PRO B 29 -8.980 13.534 1.099 1.00 0.00 C ATOM 0 HA PRO B 29 -11.336 11.384 1.568 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.977 12.082 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.642 13.211 0.053 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.823 12.993 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.782 14.431 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.894 13.631 1.088 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.372 14.398 1.635 1.00 0.00 H new ATOM 1743 N THR B 30 -10.933 9.498 -0.133 1.00 0.00 N ATOM 1744 CA THR B 30 -10.627 8.174 -0.659 1.00 0.00 C ATOM 1745 C THR B 30 -9.554 8.245 -1.750 1.00 0.00 C ATOM 1746 O THR B 30 -8.663 7.396 -1.811 1.00 0.00 O ATOM 1747 CB THR B 30 -11.900 7.507 -1.212 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.959 7.637 -0.250 1.00 0.00 O ATOM 1749 CG2 THR B 30 -11.666 6.033 -1.511 1.00 0.00 C ATOM 0 H THR B 30 -11.916 9.760 -0.201 1.00 0.00 H new ATOM 0 HA THR B 30 -10.238 7.571 0.162 1.00 0.00 H new ATOM 0 HB THR B 30 -12.172 8.004 -2.143 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.760 7.990 -0.691 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.583 5.591 -1.900 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.873 5.933 -2.252 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.374 5.518 -0.596 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.630 9.282 -2.582 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.652 9.505 -3.646 1.00 0.00 C ATOM 1759 C ASP B 31 -7.253 9.629 -3.063 1.00 0.00 C ATOM 1760 O ASP B 31 -6.333 8.900 -3.442 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.975 10.793 -4.409 1.00 0.00 C ATOM 1762 CG ASP B 31 -10.436 10.911 -4.784 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -11.241 11.286 -3.906 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -10.783 10.639 -5.951 1.00 0.00 O ATOM 0 H ASP B 31 -10.366 9.987 -2.539 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.697 8.653 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.693 11.650 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.369 10.833 -5.314 1.00 0.00 H new ATOM 1769 N LEU B 32 -7.109 10.550 -2.119 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.815 10.847 -1.524 1.00 0.00 C ATOM 1771 C LEU B 32 -5.319 9.679 -0.679 1.00 0.00 C ATOM 1772 O LEU B 32 -4.117 9.449 -0.575 1.00 0.00 O ATOM 1773 CB LEU B 32 -5.905 12.117 -0.676 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.580 12.606 -0.085 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.563 12.844 -1.189 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -4.798 13.879 0.719 1.00 0.00 C ATOM 0 H LEU B 32 -7.879 11.107 -1.748 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.098 11.008 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.326 12.914 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.604 11.940 0.141 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.192 11.836 0.582 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.627 13.191 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.388 11.914 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.944 13.598 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.847 14.215 1.133 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.205 14.654 0.070 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.498 13.681 1.531 1.00 0.00 H new ATOM 1788 N SER B 33 -6.249 8.940 -0.087 1.00 0.00 N ATOM 1789 CA SER B 33 -5.900 7.777 0.718 1.00 0.00 C ATOM 1790 C SER B 33 -5.171 6.738 -0.130 1.00 0.00 C ATOM 1791 O SER B 33 -4.102 6.257 0.242 1.00 0.00 O ATOM 1792 CB SER B 33 -7.158 7.169 1.340 1.00 0.00 C ATOM 1793 OG SER B 33 -7.826 8.110 2.163 1.00 0.00 O ATOM 0 H SER B 33 -7.250 9.125 -0.149 1.00 0.00 H new ATOM 0 HA SER B 33 -5.233 8.096 1.519 1.00 0.00 H new ATOM 0 HB2 SER B 33 -7.830 6.829 0.552 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.889 6.292 1.929 1.00 0.00 H new ATOM 0 HG SER B 33 -8.180 8.837 1.609 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.742 6.417 -1.285 1.00 0.00 N ATOM 1800 CA LEU B 34 -5.138 5.446 -2.188 1.00 0.00 C ATOM 1801 C LEU B 34 -3.819 5.979 -2.739 1.00 0.00 C ATOM 1802 O LEU B 34 -2.848 5.234 -2.889 1.00 0.00 O ATOM 1803 CB LEU B 34 -6.096 5.120 -3.336 1.00 0.00 C ATOM 1804 CG LEU B 34 -7.423 4.480 -2.916 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -8.332 4.297 -4.121 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -7.178 3.146 -2.225 1.00 0.00 C ATOM 0 H LEU B 34 -6.621 6.814 -1.617 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.938 4.532 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.311 6.039 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.591 4.448 -4.030 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.918 5.147 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -9.270 3.841 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -8.535 5.267 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.843 3.651 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -8.132 2.706 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.661 2.472 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.565 3.303 -1.337 1.00 0.00 H new ATOM 1818 N MET B 35 -3.794 7.278 -3.026 1.00 0.00 N ATOM 1819 CA MET B 35 -2.591 7.941 -3.519 1.00 0.00 C ATOM 1820 C MET B 35 -1.460 7.837 -2.498 1.00 0.00 C ATOM 1821 O MET B 35 -0.330 7.477 -2.840 1.00 0.00 O ATOM 1822 CB MET B 35 -2.889 9.411 -3.826 1.00 0.00 C ATOM 1823 CG MET B 35 -1.688 10.191 -4.338 1.00 0.00 C ATOM 1824 SD MET B 35 -2.073 11.926 -4.655 1.00 0.00 S ATOM 1825 CE MET B 35 -3.331 11.778 -5.923 1.00 0.00 C ATOM 0 H MET B 35 -4.599 7.896 -2.924 1.00 0.00 H new ATOM 0 HA MET B 35 -2.274 7.443 -4.435 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.686 9.462 -4.568 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.263 9.892 -2.922 1.00 0.00 H new ATOM 0 HG2 MET B 35 -0.881 10.129 -3.608 1.00 0.00 H new ATOM 0 HG3 MET B 35 -1.324 9.730 -5.256 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.425 12.725 -6.454 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.049 10.994 -6.626 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.285 11.524 -5.461 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.775 8.140 -1.244 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.794 8.085 -0.168 1.00 0.00 C ATOM 1837 C ALA B 36 -0.262 6.669 0.015 1.00 0.00 C ATOM 1838 O ALA B 36 0.949 6.457 0.060 1.00 0.00 O ATOM 1839 CB ALA B 36 -1.400 8.598 1.130 1.00 0.00 C ATOM 0 H ALA B 36 -2.707 8.428 -0.947 1.00 0.00 H new ATOM 0 HA ALA B 36 0.043 8.728 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.654 8.550 1.924 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.723 9.630 0.998 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -2.257 7.981 1.400 1.00 0.00 H new ATOM 1845 N LEU B 37 -1.173 5.704 0.102 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.798 4.305 0.289 1.00 0.00 C ATOM 1847 C LEU B 37 0.100 3.810 -0.840 1.00 0.00 C ATOM 1848 O LEU B 37 1.152 3.224 -0.588 1.00 0.00 O ATOM 1849 CB LEU B 37 -2.046 3.418 0.396 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.578 3.191 1.816 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.570 2.416 2.643 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.908 4.511 2.493 1.00 0.00 C ATOM 0 H LEU B 37 -2.179 5.865 0.046 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.237 4.240 1.221 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.840 3.865 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.820 2.448 -0.047 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.495 2.607 1.741 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.964 2.264 3.648 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.383 1.449 2.176 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.638 2.978 2.700 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -3.283 4.320 3.499 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -2.009 5.125 2.551 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.669 5.036 1.915 1.00 0.00 H new ATOM 1864 N GLY B 38 -0.309 4.066 -2.080 1.00 0.00 N ATOM 1865 CA GLY B 38 0.455 3.610 -3.231 1.00 0.00 C ATOM 1866 C GLY B 38 1.883 4.112 -3.222 1.00 0.00 C ATOM 1867 O GLY B 38 2.822 3.333 -3.376 1.00 0.00 O ATOM 0 H GLY B 38 -1.158 4.582 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.458 2.520 -3.251 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -0.037 3.944 -4.144 1.00 0.00 H new ATOM 1871 N ASN B 39 2.054 5.409 -3.017 1.00 0.00 N ATOM 1872 CA ASN B 39 3.382 6.007 -3.029 1.00 0.00 C ATOM 1873 C ASN B 39 4.181 5.599 -1.798 1.00 0.00 C ATOM 1874 O ASN B 39 5.400 5.460 -1.864 1.00 0.00 O ATOM 1875 CB ASN B 39 3.297 7.531 -3.118 1.00 0.00 C ATOM 1876 CG ASN B 39 2.862 8.018 -4.491 1.00 0.00 C ATOM 1877 OD1 ASN B 39 3.690 8.249 -5.370 1.00 0.00 O ATOM 1878 ND2 ASN B 39 1.561 8.183 -4.683 1.00 0.00 N ATOM 0 H ASN B 39 1.294 6.066 -2.841 1.00 0.00 H new ATOM 0 HA ASN B 39 3.899 5.635 -3.914 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.594 7.895 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.270 7.959 -2.877 1.00 0.00 H new ATOM 0 HD21 ASN B 39 1.216 8.512 -5.585 1.00 0.00 H new ATOM 0 HD22 ASN B 39 0.905 7.981 -3.929 1.00 0.00 H new ATOM 1885 N CYS B 40 3.494 5.398 -0.680 1.00 0.00 N ATOM 1886 CA CYS B 40 4.154 5.003 0.558 1.00 0.00 C ATOM 1887 C CYS B 40 4.748 3.602 0.424 1.00 0.00 C ATOM 1888 O CYS B 40 5.934 3.393 0.690 1.00 0.00 O ATOM 1889 CB CYS B 40 3.168 5.055 1.729 1.00 0.00 C ATOM 1890 SG CYS B 40 3.919 4.758 3.348 1.00 0.00 S ATOM 0 H CYS B 40 2.482 5.502 -0.605 1.00 0.00 H new ATOM 0 HA CYS B 40 4.965 5.704 0.756 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.685 6.032 1.739 1.00 0.00 H new ATOM 0 HB3 CYS B 40 2.385 4.315 1.563 1.00 0.00 H new ATOM 0 HG CYS B 40 3.735 5.796 4.109 1.00 0.00 H new ATOM 1896 N VAL B 41 3.924 2.651 -0.015 1.00 0.00 N ATOM 1897 CA VAL B 41 4.363 1.268 -0.183 1.00 0.00 C ATOM 1898 C VAL B 41 5.516 1.177 -1.177 1.00 0.00 C ATOM 1899 O VAL B 41 6.514 0.497 -0.932 1.00 0.00 O ATOM 1900 CB VAL B 41 3.210 0.362 -0.670 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.699 -1.061 -0.905 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.061 0.372 0.326 1.00 0.00 C ATOM 0 H VAL B 41 2.948 2.814 -0.261 1.00 0.00 H new ATOM 0 HA VAL B 41 4.697 0.923 0.795 1.00 0.00 H new ATOM 0 HB VAL B 41 2.848 0.759 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL B 41 2.869 -1.679 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.484 -1.056 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.095 -1.468 0.025 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.260 -0.272 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.413 0.006 1.291 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.686 1.389 0.438 1.00 0.00 H new ATOM 1912 N THR B 42 5.390 1.891 -2.283 1.00 0.00 N ATOM 1913 CA THR B 42 6.380 1.822 -3.343 1.00 0.00 C ATOM 1914 C THR B 42 7.661 2.560 -2.938 1.00 0.00 C ATOM 1915 O THR B 42 8.741 2.288 -3.459 1.00 0.00 O ATOM 1916 CB THR B 42 5.806 2.397 -4.650 1.00 0.00 C ATOM 1917 OG1 THR B 42 4.478 1.901 -4.840 1.00 0.00 O ATOM 1918 CG2 THR B 42 6.650 2.001 -5.849 1.00 0.00 C ATOM 0 H THR B 42 4.613 2.524 -2.470 1.00 0.00 H new ATOM 0 HA THR B 42 6.634 0.775 -3.511 1.00 0.00 H new ATOM 0 HB THR B 42 5.806 3.484 -4.569 1.00 0.00 H new ATOM 0 HG1 THR B 42 3.832 2.604 -4.620 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.216 2.424 -6.755 1.00 0.00 H new ATOM 0 HG22 THR B 42 7.664 2.380 -5.721 1.00 0.00 H new ATOM 0 HG23 THR B 42 6.677 0.915 -5.932 1.00 0.00 H new ATOM 1926 N HIS B 43 7.539 3.467 -1.972 1.00 0.00 N ATOM 1927 CA HIS B 43 8.697 4.188 -1.453 1.00 0.00 C ATOM 1928 C HIS B 43 9.535 3.275 -0.563 1.00 0.00 C ATOM 1929 O HIS B 43 10.751 3.441 -0.448 1.00 0.00 O ATOM 1930 CB HIS B 43 8.255 5.431 -0.675 1.00 0.00 C ATOM 1931 CG HIS B 43 9.390 6.277 -0.185 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.325 6.835 -1.025 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.731 6.665 1.064 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.191 7.531 -0.317 1.00 0.00 C ATOM 1935 NE2 HIS B 43 10.854 7.446 0.958 1.00 0.00 N ATOM 0 H HIS B 43 6.653 3.719 -1.534 1.00 0.00 H new ATOM 0 HA HIS B 43 9.308 4.510 -2.296 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.612 6.037 -1.313 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.653 5.118 0.178 1.00 0.00 H new ATOM 0 HD1 HIS B 43 10.345 6.727 -2.039 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.215 6.408 1.977 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.034 8.079 -0.712 1.00 0.00 H new ATOM 1944 N LEU B 44 8.878 2.307 0.068 1.00 0.00 N ATOM 1945 CA LEU B 44 9.575 1.307 0.865 1.00 0.00 C ATOM 1946 C LEU B 44 10.463 0.465 -0.042 1.00 0.00 C ATOM 1947 O LEU B 44 11.558 0.046 0.340 1.00 0.00 O ATOM 1948 CB LEU B 44 8.575 0.412 1.602 1.00 0.00 C ATOM 1949 CG LEU B 44 7.641 1.137 2.575 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.636 0.166 3.176 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.443 1.820 3.673 1.00 0.00 C ATOM 0 H LEU B 44 7.865 2.195 0.042 1.00 0.00 H new ATOM 0 HA LEU B 44 10.191 1.813 1.608 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.968 -0.111 0.863 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.130 -0.347 2.154 1.00 0.00 H new ATOM 0 HG LEU B 44 7.093 1.900 2.021 1.00 0.00 H new ATOM 0 HD11 LEU B 44 5.981 0.700 3.865 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.039 -0.279 2.380 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.166 -0.619 3.715 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.764 2.331 4.356 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.017 1.074 4.222 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.124 2.546 3.228 1.00 0.00 H new ATOM 1963 N LEU B 45 9.982 0.254 -1.262 1.00 0.00 N ATOM 1964 CA LEU B 45 10.719 -0.490 -2.273 1.00 0.00 C ATOM 1965 C LEU B 45 12.015 0.228 -2.634 1.00 0.00 C ATOM 1966 O LEU B 45 13.019 -0.406 -2.944 1.00 0.00 O ATOM 1967 CB LEU B 45 9.854 -0.666 -3.523 1.00 0.00 C ATOM 1968 CG LEU B 45 8.562 -1.454 -3.313 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.701 -1.401 -4.561 1.00 0.00 C ATOM 1970 CD2 LEU B 45 8.872 -2.893 -2.949 1.00 0.00 C ATOM 0 H LEU B 45 9.073 0.593 -1.576 1.00 0.00 H new ATOM 0 HA LEU B 45 10.970 -1.470 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.600 0.320 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.447 -1.168 -4.288 1.00 0.00 H new ATOM 0 HG LEU B 45 8.011 -0.999 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU B 45 6.784 -1.967 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.451 -0.364 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.248 -1.833 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU B 45 7.941 -3.440 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.443 -3.357 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.456 -2.918 -2.029 1.00 0.00 H new ATOM 1982 N GLU B 46 11.985 1.553 -2.582 1.00 0.00 N ATOM 1983 CA GLU B 46 13.151 2.361 -2.908 1.00 0.00 C ATOM 1984 C GLU B 46 14.267 2.175 -1.883 1.00 0.00 C ATOM 1985 O GLU B 46 15.357 1.704 -2.209 1.00 0.00 O ATOM 1986 CB GLU B 46 12.779 3.845 -2.966 1.00 0.00 C ATOM 1987 CG GLU B 46 11.762 4.200 -4.035 1.00 0.00 C ATOM 1988 CD GLU B 46 11.441 5.682 -4.045 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.247 6.470 -4.584 1.00 0.00 O ATOM 1990 OE2 GLU B 46 10.396 6.074 -3.488 1.00 0.00 O ATOM 0 H GLU B 46 11.161 2.093 -2.316 1.00 0.00 H new ATOM 0 HA GLU B 46 13.507 2.029 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.386 4.146 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.685 4.427 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.145 3.906 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.847 3.632 -3.867 1.00 0.00 H new ATOM 1997 N ARG B 47 13.980 2.521 -0.640 1.00 0.00 N ATOM 1998 CA ARG B 47 15.024 2.666 0.360 1.00 0.00 C ATOM 1999 C ARG B 47 15.348 1.356 1.063 1.00 0.00 C ATOM 2000 O ARG B 47 16.490 1.136 1.468 1.00 0.00 O ATOM 2001 CB ARG B 47 14.628 3.725 1.387 1.00 0.00 C ATOM 2002 CG ARG B 47 14.490 5.116 0.791 1.00 0.00 C ATOM 2003 CD ARG B 47 14.174 6.158 1.851 1.00 0.00 C ATOM 2004 NE ARG B 47 15.166 6.166 2.924 1.00 0.00 N ATOM 2005 CZ ARG B 47 16.333 6.809 2.861 1.00 0.00 C ATOM 2006 NH1 ARG B 47 16.666 7.495 1.774 1.00 0.00 N ATOM 2007 NH2 ARG B 47 17.170 6.771 3.887 1.00 0.00 N ATOM 0 H ARG B 47 13.036 2.706 -0.300 1.00 0.00 H new ATOM 0 HA ARG B 47 15.925 2.981 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.683 3.439 1.848 1.00 0.00 H new ATOM 0 HB3 ARG B 47 15.375 3.749 2.180 1.00 0.00 H new ATOM 0 HG2 ARG B 47 15.415 5.386 0.281 1.00 0.00 H new ATOM 0 HG3 ARG B 47 13.701 5.112 0.039 1.00 0.00 H new ATOM 0 HD2 ARG B 47 14.132 7.144 1.389 1.00 0.00 H new ATOM 0 HD3 ARG B 47 13.188 5.961 2.271 1.00 0.00 H new ATOM 0 HE ARG B 47 14.952 5.647 3.776 1.00 0.00 H new ATOM 0 HH11 ARG B 47 16.028 7.533 0.979 1.00 0.00 H new ATOM 0 HH12 ARG B 47 17.560 7.984 1.734 1.00 0.00 H new ATOM 0 HH21 ARG B 47 16.923 6.249 4.728 1.00 0.00 H new ATOM 0 HH22 ARG B 47 18.062 7.264 3.836 1.00 0.00 H new ATOM 2021 N LYS B 48 14.363 0.485 1.206 1.00 0.00 N ATOM 2022 CA LYS B 48 14.562 -0.719 1.996 1.00 0.00 C ATOM 2023 C LYS B 48 14.755 -1.950 1.115 1.00 0.00 C ATOM 2024 O LYS B 48 15.585 -2.811 1.410 1.00 0.00 O ATOM 2025 CB LYS B 48 13.390 -0.930 2.954 1.00 0.00 C ATOM 2026 CG LYS B 48 13.702 -1.912 4.069 1.00 0.00 C ATOM 2027 CD LYS B 48 14.840 -1.408 4.941 1.00 0.00 C ATOM 2028 CE LYS B 48 15.233 -2.428 5.996 1.00 0.00 C ATOM 2029 NZ LYS B 48 14.075 -2.835 6.834 1.00 0.00 N ATOM 0 H LYS B 48 13.435 0.585 0.795 1.00 0.00 H new ATOM 0 HA LYS B 48 15.475 -0.582 2.576 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.108 0.028 3.390 1.00 0.00 H new ATOM 0 HB3 LYS B 48 12.529 -1.290 2.391 1.00 0.00 H new ATOM 0 HG2 LYS B 48 12.813 -2.067 4.680 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.968 -2.879 3.642 1.00 0.00 H new ATOM 0 HD2 LYS B 48 15.703 -1.179 4.316 1.00 0.00 H new ATOM 0 HD3 LYS B 48 14.543 -0.478 5.426 1.00 0.00 H new ATOM 0 HE2 LYS B 48 15.656 -3.307 5.510 1.00 0.00 H new ATOM 0 HE3 LYS B 48 16.012 -2.009 6.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 14.417 -3.338 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 13.544 -1.990 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.453 -3.462 6.285 1.00 0.00 H new ATOM 2043 N VAL B 49 13.993 -2.031 0.040 1.00 0.00 N ATOM 2044 CA VAL B 49 14.054 -3.185 -0.848 1.00 0.00 C ATOM 2045 C VAL B 49 15.175 -3.025 -1.876 1.00 0.00 C ATOM 2046 O VAL B 49 15.346 -1.948 -2.451 1.00 0.00 O ATOM 2047 CB VAL B 49 12.700 -3.400 -1.562 1.00 0.00 C ATOM 2048 CG1 VAL B 49 12.764 -4.557 -2.549 1.00 0.00 C ATOM 2049 CG2 VAL B 49 11.602 -3.637 -0.535 1.00 0.00 C ATOM 0 H VAL B 49 13.324 -1.314 -0.242 1.00 0.00 H new ATOM 0 HA VAL B 49 14.268 -4.063 -0.239 1.00 0.00 H new ATOM 0 HB VAL B 49 12.472 -2.498 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL B 49 11.794 -4.678 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL B 49 13.522 -4.349 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.022 -5.474 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL B 49 10.651 -3.787 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL B 49 11.841 -4.522 0.055 1.00 0.00 H new ATOM 0 HG23 VAL B 49 11.527 -2.772 0.123 1.00 0.00 H new ATOM 2059 N PRO B 50 15.974 -4.090 -2.087 1.00 0.00 N ATOM 2060 CA PRO B 50 17.043 -4.104 -3.091 1.00 0.00 C ATOM 2061 C PRO B 50 16.571 -3.617 -4.459 1.00 0.00 C ATOM 2062 O PRO B 50 15.455 -3.922 -4.887 1.00 0.00 O ATOM 2063 CB PRO B 50 17.445 -5.577 -3.157 1.00 0.00 C ATOM 2064 CG PRO B 50 17.130 -6.111 -1.805 1.00 0.00 C ATOM 2065 CD PRO B 50 15.913 -5.363 -1.338 1.00 0.00 C ATOM 0 HA PRO B 50 17.860 -3.434 -2.823 1.00 0.00 H new ATOM 0 HB2 PRO B 50 16.889 -6.106 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO B 50 18.504 -5.689 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO B 50 16.938 -7.183 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO B 50 17.966 -5.961 -1.122 1.00 0.00 H new ATOM 0 HD2 PRO B 50 14.997 -5.912 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO B 50 15.935 -5.195 -0.261 1.00 0.00 H new ATOM 2073 N SER B 51 17.443 -2.877 -5.137 1.00 0.00 N ATOM 2074 CA SER B 51 17.123 -2.225 -6.403 1.00 0.00 C ATOM 2075 C SER B 51 16.480 -3.181 -7.411 1.00 0.00 C ATOM 2076 O SER B 51 15.412 -2.892 -7.949 1.00 0.00 O ATOM 2077 CB SER B 51 18.399 -1.629 -6.996 1.00 0.00 C ATOM 2078 OG SER B 51 19.121 -0.901 -6.013 1.00 0.00 O ATOM 0 H SER B 51 18.399 -2.712 -4.821 1.00 0.00 H new ATOM 0 HA SER B 51 16.394 -1.442 -6.197 1.00 0.00 H new ATOM 0 HB2 SER B 51 19.025 -2.426 -7.398 1.00 0.00 H new ATOM 0 HB3 SER B 51 18.146 -0.972 -7.828 1.00 0.00 H new ATOM 0 HG SER B 51 19.935 -0.530 -6.413 1.00 0.00 H new ATOM 2084 N GLU B 52 17.121 -4.319 -7.649 1.00 0.00 N ATOM 2085 CA GLU B 52 16.649 -5.265 -8.657 1.00 0.00 C ATOM 2086 C GLU B 52 15.345 -5.933 -8.218 1.00 0.00 C ATOM 2087 O GLU B 52 14.453 -6.178 -9.030 1.00 0.00 O ATOM 2088 CB GLU B 52 17.719 -6.329 -8.925 1.00 0.00 C ATOM 2089 CG GLU B 52 17.372 -7.271 -10.066 1.00 0.00 C ATOM 2090 CD GLU B 52 18.407 -8.359 -10.257 1.00 0.00 C ATOM 2091 OE1 GLU B 52 19.476 -8.076 -10.837 1.00 0.00 O ATOM 2092 OE2 GLU B 52 18.162 -9.506 -9.820 1.00 0.00 O ATOM 0 H GLU B 52 17.967 -4.610 -7.160 1.00 0.00 H new ATOM 0 HA GLU B 52 16.456 -4.711 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU B 52 18.663 -5.833 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.873 -6.913 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU B 52 16.401 -7.728 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU B 52 17.277 -6.699 -10.989 1.00 0.00 H new ATOM 2099 N SER B 53 15.231 -6.190 -6.923 1.00 0.00 N ATOM 2100 CA SER B 53 14.090 -6.911 -6.375 1.00 0.00 C ATOM 2101 C SER B 53 12.812 -6.075 -6.417 1.00 0.00 C ATOM 2102 O SER B 53 11.711 -6.626 -6.396 1.00 0.00 O ATOM 2103 CB SER B 53 14.388 -7.326 -4.935 1.00 0.00 C ATOM 2104 OG SER B 53 15.561 -8.118 -4.870 1.00 0.00 O ATOM 0 H SER B 53 15.921 -5.907 -6.227 1.00 0.00 H new ATOM 0 HA SER B 53 13.927 -7.794 -6.993 1.00 0.00 H new ATOM 0 HB2 SER B 53 14.509 -6.438 -4.314 1.00 0.00 H new ATOM 0 HB3 SER B 53 13.544 -7.885 -4.531 1.00 0.00 H new ATOM 0 HG SER B 53 15.734 -8.371 -3.939 1.00 0.00 H new ATOM 2110 N ARG B 54 12.968 -4.754 -6.494 1.00 0.00 N ATOM 2111 CA ARG B 54 11.837 -3.824 -6.455 1.00 0.00 C ATOM 2112 C ARG B 54 10.718 -4.230 -7.412 1.00 0.00 C ATOM 2113 O ARG B 54 9.547 -4.224 -7.032 1.00 0.00 O ATOM 2114 CB ARG B 54 12.297 -2.406 -6.788 1.00 0.00 C ATOM 2115 CG ARG B 54 13.254 -1.815 -5.769 1.00 0.00 C ATOM 2116 CD ARG B 54 13.761 -0.456 -6.220 1.00 0.00 C ATOM 2117 NE ARG B 54 14.699 0.133 -5.269 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.629 1.023 -5.610 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.763 1.395 -6.878 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.425 1.536 -4.687 1.00 0.00 N ATOM 0 H ARG B 54 13.876 -4.299 -6.585 1.00 0.00 H new ATOM 0 HA ARG B 54 11.440 -3.856 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.780 -2.411 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.423 -1.760 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.751 -1.718 -4.807 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.097 -2.491 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.247 -0.557 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.915 0.217 -6.356 1.00 0.00 H new ATOM 0 HE ARG B 54 14.639 -0.152 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG B 54 15.153 0.999 -7.593 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.476 2.077 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.327 1.250 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.137 2.218 -4.949 1.00 0.00 H new ATOM 2134 N GLN B 55 11.083 -4.594 -8.640 1.00 0.00 N ATOM 2135 CA GLN B 55 10.096 -4.955 -9.657 1.00 0.00 C ATOM 2136 C GLN B 55 9.239 -6.135 -9.209 1.00 0.00 C ATOM 2137 O GLN B 55 8.011 -6.054 -9.204 1.00 0.00 O ATOM 2138 CB GLN B 55 10.777 -5.292 -10.988 1.00 0.00 C ATOM 2139 CG GLN B 55 11.369 -4.090 -11.710 1.00 0.00 C ATOM 2140 CD GLN B 55 11.947 -4.456 -13.066 1.00 0.00 C ATOM 2141 OE1 GLN B 55 13.124 -4.792 -13.189 1.00 0.00 O ATOM 2142 NE2 GLN B 55 11.116 -4.402 -14.094 1.00 0.00 N ATOM 0 H GLN B 55 12.052 -4.647 -8.955 1.00 0.00 H new ATOM 0 HA GLN B 55 9.449 -4.089 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.570 -6.017 -10.804 1.00 0.00 H new ATOM 0 HB3 GLN B 55 10.051 -5.773 -11.643 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.597 -3.331 -11.840 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.151 -3.647 -11.092 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.147 -4.119 -13.952 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.445 -4.644 -15.029 1.00 0.00 H new ATOM 2151 N ALA B 56 9.889 -7.219 -8.807 1.00 0.00 N ATOM 2152 CA ALA B 56 9.177 -8.440 -8.463 1.00 0.00 C ATOM 2153 C ALA B 56 8.502 -8.339 -7.101 1.00 0.00 C ATOM 2154 O ALA B 56 7.447 -8.929 -6.891 1.00 0.00 O ATOM 2155 CB ALA B 56 10.105 -9.639 -8.513 1.00 0.00 C ATOM 0 H ALA B 56 10.903 -7.277 -8.712 1.00 0.00 H new ATOM 0 HA ALA B 56 8.393 -8.577 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA B 56 9.550 -10.540 -8.252 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.512 -9.742 -9.519 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.921 -9.497 -7.804 1.00 0.00 H new ATOM 2161 N VAL B 57 9.101 -7.597 -6.172 1.00 0.00 N ATOM 2162 CA VAL B 57 8.484 -7.401 -4.864 1.00 0.00 C ATOM 2163 C VAL B 57 7.173 -6.642 -5.015 1.00 0.00 C ATOM 2164 O VAL B 57 6.156 -7.035 -4.448 1.00 0.00 O ATOM 2165 CB VAL B 57 9.404 -6.651 -3.872 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.668 -6.356 -2.569 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.656 -7.460 -3.584 1.00 0.00 C ATOM 0 H VAL B 57 9.998 -7.129 -6.298 1.00 0.00 H new ATOM 0 HA VAL B 57 8.301 -8.393 -4.450 1.00 0.00 H new ATOM 0 HB VAL B 57 9.693 -5.707 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.334 -5.828 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.795 -5.736 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.348 -7.292 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.289 -6.914 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.377 -8.420 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.202 -7.628 -4.512 1.00 0.00 H new ATOM 2177 N ALA B 58 7.195 -5.573 -5.805 1.00 0.00 N ATOM 2178 CA ALA B 58 5.988 -4.805 -6.078 1.00 0.00 C ATOM 2179 C ALA B 58 4.956 -5.673 -6.785 1.00 0.00 C ATOM 2180 O ALA B 58 3.776 -5.669 -6.434 1.00 0.00 O ATOM 2181 CB ALA B 58 6.312 -3.584 -6.924 1.00 0.00 C ATOM 0 H ALA B 58 8.034 -5.221 -6.266 1.00 0.00 H new ATOM 0 HA ALA B 58 5.573 -4.469 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.398 -3.023 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.021 -2.950 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA B 58 6.750 -3.903 -7.870 1.00 0.00 H new ATOM 2187 N GLU B 59 5.420 -6.432 -7.771 1.00 0.00 N ATOM 2188 CA GLU B 59 4.554 -7.312 -8.538 1.00 0.00 C ATOM 2189 C GLU B 59 3.942 -8.395 -7.646 1.00 0.00 C ATOM 2190 O GLU B 59 2.768 -8.739 -7.789 1.00 0.00 O ATOM 2191 CB GLU B 59 5.339 -7.954 -9.683 1.00 0.00 C ATOM 2192 CG GLU B 59 4.472 -8.777 -10.611 1.00 0.00 C ATOM 2193 CD GLU B 59 5.263 -9.495 -11.677 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.750 -8.833 -12.613 1.00 0.00 O ATOM 2195 OE2 GLU B 59 5.389 -10.736 -11.583 1.00 0.00 O ATOM 0 H GLU B 59 6.399 -6.453 -8.058 1.00 0.00 H new ATOM 0 HA GLU B 59 3.742 -6.715 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU B 59 5.836 -7.172 -10.258 1.00 0.00 H new ATOM 0 HB3 GLU B 59 6.121 -8.590 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.915 -9.508 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU B 59 3.739 -8.126 -11.087 1.00 0.00 H new ATOM 2202 N GLN B 60 4.742 -8.937 -6.735 1.00 0.00 N ATOM 2203 CA GLN B 60 4.273 -9.975 -5.823 1.00 0.00 C ATOM 2204 C GLN B 60 3.355 -9.376 -4.761 1.00 0.00 C ATOM 2205 O GLN B 60 2.349 -9.980 -4.386 1.00 0.00 O ATOM 2206 CB GLN B 60 5.460 -10.682 -5.165 1.00 0.00 C ATOM 2207 CG GLN B 60 5.076 -11.898 -4.334 1.00 0.00 C ATOM 2208 CD GLN B 60 6.282 -12.605 -3.746 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.332 -11.850 -3.459 1.00 0.00 O flip ATOM 2210 NE2 GLN B 60 6.273 -13.823 -3.547 1.00 0.00 N flip ATOM 0 H GLN B 60 5.720 -8.675 -6.608 1.00 0.00 H new ATOM 0 HA GLN B 60 3.706 -10.709 -6.396 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.160 -10.992 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.985 -9.971 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN B 60 4.412 -11.588 -3.527 1.00 0.00 H new ATOM 0 HG3 GLN B 60 4.517 -12.597 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN B 60 5.446 -14.372 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN B 60 7.093 -14.281 -3.149 1.00 0.00 H new ATOM 2219 N PHE B 61 3.703 -8.184 -4.287 1.00 0.00 N ATOM 2220 CA PHE B 61 2.875 -7.467 -3.328 1.00 0.00 C ATOM 2221 C PHE B 61 1.507 -7.184 -3.932 1.00 0.00 C ATOM 2222 O PHE B 61 0.481 -7.360 -3.278 1.00 0.00 O ATOM 2223 CB PHE B 61 3.547 -6.154 -2.909 1.00 0.00 C ATOM 2224 CG PHE B 61 2.741 -5.347 -1.928 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.816 -5.609 -0.569 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.910 -4.325 -2.366 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.075 -4.872 0.333 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.166 -3.587 -1.466 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.252 -3.858 -0.115 1.00 0.00 C ATOM 0 H PHE B 61 4.557 -7.694 -4.554 1.00 0.00 H new ATOM 0 HA PHE B 61 2.752 -8.090 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.519 -6.378 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.731 -5.551 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.461 -6.398 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.844 -4.105 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.139 -5.089 1.389 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.518 -2.799 -1.819 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.676 -3.277 0.591 1.00 0.00 H new ATOM 2239 N ALA B 62 1.502 -6.757 -5.189 1.00 0.00 N ATOM 2240 CA ALA B 62 0.263 -6.498 -5.904 1.00 0.00 C ATOM 2241 C ALA B 62 -0.571 -7.772 -6.021 1.00 0.00 C ATOM 2242 O ALA B 62 -1.797 -7.727 -5.920 1.00 0.00 O ATOM 2243 CB ALA B 62 0.559 -5.914 -7.276 1.00 0.00 C ATOM 0 H ALA B 62 2.346 -6.583 -5.734 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.318 -5.769 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.378 -5.725 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.107 -4.979 -7.163 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.160 -6.619 -7.850 1.00 0.00 H new ATOM 2249 N LYS B 63 0.100 -8.909 -6.218 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.583 -10.200 -6.250 1.00 0.00 C ATOM 2251 C LYS B 63 -1.235 -10.477 -4.901 1.00 0.00 C ATOM 2252 O LYS B 63 -2.403 -10.852 -4.830 1.00 0.00 O ATOM 2253 CB LYS B 63 0.381 -11.347 -6.583 1.00 0.00 C ATOM 2254 CG LYS B 63 1.018 -11.269 -7.961 1.00 0.00 C ATOM 2255 CD LYS B 63 1.772 -12.552 -8.282 1.00 0.00 C ATOM 2256 CE LYS B 63 2.543 -12.450 -9.589 1.00 0.00 C ATOM 2257 NZ LYS B 63 3.724 -11.554 -9.473 1.00 0.00 N ATOM 0 H LYS B 63 1.109 -8.960 -6.357 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.340 -10.149 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.172 -11.366 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.158 -12.291 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS B 63 0.248 -11.097 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.701 -10.420 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS B 63 2.463 -12.779 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS B 63 1.067 -13.381 -8.341 1.00 0.00 H new ATOM 0 HE2 LYS B 63 2.871 -13.444 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS B 63 1.882 -12.078 -10.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 4.131 -11.392 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 3.431 -10.645 -9.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 4.437 -11.998 -8.860 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.469 -10.280 -3.834 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.955 -10.514 -2.481 1.00 0.00 C ATOM 2273 C ALA B 64 -2.100 -9.567 -2.138 1.00 0.00 C ATOM 2274 O ALA B 64 -3.064 -9.956 -1.478 1.00 0.00 O ATOM 2275 CB ALA B 64 0.180 -10.360 -1.479 1.00 0.00 C ATOM 0 H ALA B 64 0.497 -9.957 -3.882 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.335 -11.534 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.197 -10.538 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.965 -11.082 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.586 -9.350 -1.542 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.990 -8.330 -2.597 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.031 -7.337 -2.379 1.00 0.00 C ATOM 2283 C LEU B 65 -4.318 -7.763 -3.078 1.00 0.00 C ATOM 2284 O LEU B 65 -5.390 -7.795 -2.470 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.585 -5.967 -2.897 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.468 -4.796 -2.468 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -3.291 -4.515 -0.984 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -3.153 -3.558 -3.290 1.00 0.00 C ATOM 0 H LEU B 65 -1.187 -7.989 -3.125 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.215 -7.261 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.567 -5.780 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.554 -5.999 -3.986 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.509 -5.066 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.926 -3.678 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.570 -5.399 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.249 -4.266 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.792 -2.736 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.108 -3.282 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.332 -3.766 -4.345 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.196 -8.111 -4.355 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.334 -8.574 -5.138 1.00 0.00 C ATOM 2302 C ALA B 66 -5.905 -9.858 -4.551 1.00 0.00 C ATOM 2303 O ALA B 66 -7.115 -10.073 -4.566 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.929 -8.785 -6.591 1.00 0.00 C ATOM 0 H ALA B 66 -3.316 -8.081 -4.870 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.109 -7.808 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.790 -9.131 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.570 -7.844 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.136 -9.531 -6.643 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.022 -10.704 -4.031 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.429 -11.943 -3.381 1.00 0.00 C ATOM 2312 C GLN B 67 -6.253 -11.654 -2.132 1.00 0.00 C ATOM 2313 O GLN B 67 -7.251 -12.318 -1.876 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.201 -12.780 -3.017 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.538 -14.101 -2.346 1.00 0.00 C ATOM 2316 CD GLN B 67 -3.304 -14.891 -1.966 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -2.801 -15.701 -2.749 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -2.808 -14.667 -0.759 1.00 0.00 N ATOM 0 H GLN B 67 -4.014 -10.552 -4.048 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.048 -12.506 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.627 -12.979 -3.922 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.560 -12.199 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.132 -13.909 -1.452 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -5.155 -14.698 -3.017 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.254 -13.988 -0.142 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -1.979 -15.173 -0.446 1.00 0.00 H new ATOM 2327 N SER B 68 -5.835 -10.653 -1.365 1.00 0.00 N ATOM 2328 CA SER B 68 -6.544 -10.268 -0.149 1.00 0.00 C ATOM 2329 C SER B 68 -7.936 -9.738 -0.484 1.00 0.00 C ATOM 2330 O SER B 68 -8.899 -9.975 0.247 1.00 0.00 O ATOM 2331 CB SER B 68 -5.742 -9.213 0.613 1.00 0.00 C ATOM 2332 OG SER B 68 -4.432 -9.680 0.903 1.00 0.00 O ATOM 0 H SER B 68 -5.007 -10.092 -1.564 1.00 0.00 H new ATOM 0 HA SER B 68 -6.656 -11.149 0.482 1.00 0.00 H new ATOM 0 HB2 SER B 68 -5.683 -8.299 0.022 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.256 -8.961 1.541 1.00 0.00 H new ATOM 0 HG SER B 68 -3.925 -9.771 0.069 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.039 -9.029 -1.601 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.325 -8.540 -2.081 1.00 0.00 C ATOM 2340 C VAL B 69 -10.174 -9.699 -2.591 1.00 0.00 C ATOM 2341 O VAL B 69 -11.363 -9.805 -2.293 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.142 -7.508 -3.215 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.489 -7.039 -3.747 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.318 -6.326 -2.730 1.00 0.00 C ATOM 0 H VAL B 69 -7.246 -8.780 -2.192 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.828 -8.056 -1.244 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.607 -7.992 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.332 -6.313 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.043 -7.893 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.057 -6.575 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.199 -5.608 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.827 -5.847 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.337 -6.674 -2.407 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.536 -10.582 -3.345 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.220 -11.704 -3.966 1.00 0.00 C ATOM 2356 C LYS B 70 -10.577 -12.763 -2.925 1.00 0.00 C ATOM 2357 O LYS B 70 -11.425 -13.618 -3.166 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.329 -12.299 -5.057 1.00 0.00 C ATOM 2359 CG LYS B 70 -10.085 -12.767 -6.290 1.00 0.00 C ATOM 2360 CD LYS B 70 -9.130 -13.188 -7.398 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.242 -12.033 -7.851 1.00 0.00 C ATOM 2362 NZ LYS B 70 -9.003 -10.983 -8.585 1.00 0.00 N ATOM 0 H LYS B 70 -8.536 -10.541 -3.542 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.149 -11.352 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.593 -11.553 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -8.777 -13.142 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -10.732 -13.604 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -10.731 -11.966 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.506 -14.010 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.701 -13.562 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.760 -11.587 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.449 -12.418 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -8.410 -10.136 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -9.270 -11.341 -9.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -9.861 -10.739 -8.051 1.00 0.00 H new ATOM 2376 N SER B 71 -9.941 -12.675 -1.760 1.00 0.00 N ATOM 2377 CA SER B 71 -10.173 -13.609 -0.659 1.00 0.00 C ATOM 2378 C SER B 71 -11.580 -13.434 -0.088 1.00 0.00 C ATOM 2379 O SER B 71 -12.061 -14.264 0.682 1.00 0.00 O ATOM 2380 CB SER B 71 -9.119 -13.390 0.438 1.00 0.00 C ATOM 2381 OG SER B 71 -9.244 -14.331 1.492 1.00 0.00 O ATOM 0 H SER B 71 -9.250 -11.954 -1.551 1.00 0.00 H new ATOM 0 HA SER B 71 -10.087 -14.627 -1.039 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.122 -13.464 0.003 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.218 -12.381 0.839 1.00 0.00 H new ATOM 0 HG SER B 71 -10.174 -14.634 1.552 1.00 0.00 H new