USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1288 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 42 THR OG1 : rot 73:sc= 0.27 USER MOD Set 1.2: B 68 SER OG : rot -79:sc= 1.04 USER MOD Set 2.1: A 48 LYS NZ :NH3+ -171:sc=-0.00438 (180deg=-0.0895) USER MOD Set 2.2: B 30 THR OG1 : rot 179:sc= -1.33 USER MOD Set 3.1: A 67 GLN : amide:sc= 0.269 X(o=0.46,f=0.77) USER MOD Set 3.2: A 71 SER OG : rot 180:sc= 0.193 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.139 (180deg=-0.561) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00899 (180deg=-0.147) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 0.351 (180deg=0.238) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.019 USER MOD Single : A 9 ASN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 14 SER OG : rot -83:sc= 1.01 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.18) USER MOD Single : A 26 HIS : no HD1:sc= 0.636 K(o=0.64,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -0.0343 (180deg=-0.254) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00538 USER MOD Single : A 33 SER OG : rot -79:sc= 0.462 USER MOD Single : A 35 MET CE :methyl -164:sc= -0.176 (180deg=-0.714) USER MOD Single : A 39 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1.1) USER MOD Single : A 40 CYS SG : rot 79:sc= -1.27! USER MOD Single : A 43 HIS : no HD1:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0243) USER MOD Single : A 68 SER OG : rot -82:sc= 1.18 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.223 K(o=0.22,f=-0.91) USER MOD Single : A 75 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-1.1) USER MOD Single : A 76 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.7!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.21) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0306) USER MOD Single : B 7 TYR OH : rot 15:sc= -0.111 USER MOD Single : B 8 SER OG : rot 180:sc= 0.0402 USER MOD Single : B 9 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.6!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 GLN : amide:sc= 0.341 X(o=0.34,f=-0.056) USER MOD Single : B 14 SER OG : rot 80:sc= 1.2 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= 1.13 K(o=1.1,f=-4.5!) USER MOD Single : B 27 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.7) USER MOD Single : B 33 SER OG : rot -85:sc= 0.757 USER MOD Single : B 35 MET CE :methyl 161:sc= -0.124 (180deg=-0.678) USER MOD Single : B 39 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.11) USER MOD Single : B 40 CYS SG : rot 180:sc= -0.188 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : B 43 HIS : no HE2:sc= 0.885 K(o=0.88,f=-4.9!) USER MOD Single : B 48 LYS NZ :NH3+ 172:sc=-0.00625 (180deg=-0.0996) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= -0.326 USER MOD Single : B 55 GLN : amide:sc= -0.986 X(o=-0.99,f=-0.49) USER MOD Single : B 60 GLN : amide:sc= -0.0137 K(o=-0.014,f=-2.4!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 GLN : amide:sc= -0.871 K(o=-0.87,f=-2.1!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 72 ASN : amide:sc= 0.8 K(o=0.8,f=-0.55!) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : B 77 HIS : no HD1:sc= -0.0935 X(o=-0.094,f=-0.061) USER MOD Single : B 78 HIS : no HE2:sc= 0.331 K(o=0.33,f=-4.4!) USER MOD Single : B 79 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.257 30.366 -1.621 1.00 0.00 N ATOM 2 CA MET A 1 -17.124 29.052 -2.294 1.00 0.00 C ATOM 3 C MET A 1 -15.818 28.980 -3.072 1.00 0.00 C ATOM 4 O MET A 1 -15.706 29.517 -4.176 1.00 0.00 O ATOM 5 CB MET A 1 -18.301 28.812 -3.247 1.00 0.00 C ATOM 6 CG MET A 1 -19.649 28.715 -2.553 1.00 0.00 C ATOM 7 SD MET A 1 -21.019 28.498 -3.708 1.00 0.00 S ATOM 8 CE MET A 1 -20.585 26.930 -4.465 1.00 0.00 C ATOM 0 H1 MET A 1 -18.041 30.329 -0.938 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.373 30.591 -1.121 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.451 31.101 -2.330 1.00 0.00 H new ATOM 0 HA MET A 1 -17.125 28.279 -1.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.336 29.622 -3.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.123 27.891 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.633 27.878 -1.855 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.815 29.618 -1.965 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.459 26.514 -4.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.789 27.085 -5.193 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.243 26.237 -3.696 1.00 0.00 H new ATOM 20 N ALA A 2 -14.825 28.329 -2.486 1.00 0.00 N ATOM 21 CA ALA A 2 -13.530 28.164 -3.127 1.00 0.00 C ATOM 22 C ALA A 2 -12.963 26.788 -2.809 1.00 0.00 C ATOM 23 O ALA A 2 -11.748 26.585 -2.803 1.00 0.00 O ATOM 24 CB ALA A 2 -12.573 29.253 -2.667 1.00 0.00 C ATOM 0 H ALA A 2 -14.893 27.904 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.656 28.249 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.607 29.118 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.979 30.230 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.446 29.193 -1.586 1.00 0.00 H new ATOM 30 N ILE A 3 -13.855 25.842 -2.568 1.00 0.00 N ATOM 31 CA ILE A 3 -13.452 24.507 -2.159 1.00 0.00 C ATOM 32 C ILE A 3 -13.285 23.586 -3.369 1.00 0.00 C ATOM 33 O ILE A 3 -14.257 23.132 -3.976 1.00 0.00 O ATOM 34 CB ILE A 3 -14.451 23.899 -1.138 1.00 0.00 C ATOM 35 CG1 ILE A 3 -14.061 22.460 -0.778 1.00 0.00 C ATOM 36 CG2 ILE A 3 -15.881 23.956 -1.660 1.00 0.00 C ATOM 37 CD1 ILE A 3 -12.727 22.347 -0.071 1.00 0.00 C ATOM 0 H ILE A 3 -14.863 25.974 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.485 24.596 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 3 -14.403 24.502 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -14.836 22.032 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -14.030 21.863 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.555 23.523 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -16.161 24.994 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -15.951 23.393 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.520 21.300 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.940 22.744 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.759 22.915 0.859 1.00 0.00 H new ATOM 49 N GLN A 4 -12.036 23.346 -3.735 1.00 0.00 N ATOM 50 CA GLN A 4 -11.718 22.405 -4.793 1.00 0.00 C ATOM 51 C GLN A 4 -10.522 21.554 -4.384 1.00 0.00 C ATOM 52 O GLN A 4 -9.528 22.066 -3.851 1.00 0.00 O ATOM 53 CB GLN A 4 -11.447 23.131 -6.117 1.00 0.00 C ATOM 54 CG GLN A 4 -10.250 24.066 -6.086 1.00 0.00 C ATOM 55 CD GLN A 4 -9.984 24.708 -7.433 1.00 0.00 C ATOM 56 OE1 GLN A 4 -10.470 25.803 -7.724 1.00 0.00 O ATOM 57 NE2 GLN A 4 -9.234 24.016 -8.277 1.00 0.00 N ATOM 0 H GLN A 4 -11.223 23.793 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.578 21.753 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.292 22.388 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.333 23.704 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.420 24.845 -5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.367 23.511 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.851 23.113 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.040 24.386 -9.208 1.00 0.00 H new ATOM 66 N SER A 5 -10.632 20.258 -4.608 1.00 0.00 N ATOM 67 CA SER A 5 -9.603 19.321 -4.199 1.00 0.00 C ATOM 68 C SER A 5 -8.538 19.169 -5.279 1.00 0.00 C ATOM 69 O SER A 5 -8.781 18.578 -6.328 1.00 0.00 O ATOM 70 CB SER A 5 -10.233 17.965 -3.886 1.00 0.00 C ATOM 71 OG SER A 5 -11.319 18.111 -2.987 1.00 0.00 O ATOM 0 H SER A 5 -11.430 19.828 -5.075 1.00 0.00 H new ATOM 0 HA SER A 5 -9.120 19.711 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.579 17.498 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.484 17.302 -3.454 1.00 0.00 H new ATOM 0 HG SER A 5 -11.710 17.232 -2.801 1.00 0.00 H new ATOM 77 N LYS A 6 -7.371 19.739 -5.028 1.00 0.00 N ATOM 78 CA LYS A 6 -6.229 19.568 -5.919 1.00 0.00 C ATOM 79 C LYS A 6 -4.970 19.335 -5.094 1.00 0.00 C ATOM 80 O LYS A 6 -3.860 19.572 -5.564 1.00 0.00 O ATOM 81 CB LYS A 6 -6.051 20.774 -6.853 1.00 0.00 C ATOM 82 CG LYS A 6 -5.598 22.051 -6.156 1.00 0.00 C ATOM 83 CD LYS A 6 -6.720 22.697 -5.363 1.00 0.00 C ATOM 84 CE LYS A 6 -6.209 23.255 -4.051 1.00 0.00 C ATOM 85 NZ LYS A 6 -7.244 24.057 -3.351 1.00 0.00 N ATOM 0 H LYS A 6 -7.187 20.325 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.414 18.699 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.323 20.517 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.996 20.968 -7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.767 21.824 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.227 22.757 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.171 23.496 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.502 21.963 -5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.888 22.435 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.333 23.876 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.966 24.192 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.337 24.984 -3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.155 23.558 -3.390 1.00 0.00 H new ATOM 99 N TYR A 7 -5.208 18.882 -3.853 1.00 0.00 N ATOM 100 CA TYR A 7 -4.187 18.422 -2.895 1.00 0.00 C ATOM 101 C TYR A 7 -2.781 18.347 -3.486 1.00 0.00 C ATOM 102 O TYR A 7 -2.446 17.419 -4.224 1.00 0.00 O ATOM 103 CB TYR A 7 -4.609 17.054 -2.328 1.00 0.00 C ATOM 104 CG TYR A 7 -5.227 16.121 -3.361 1.00 0.00 C ATOM 105 CD1 TYR A 7 -6.472 16.400 -3.918 1.00 0.00 C ATOM 106 CD2 TYR A 7 -4.572 14.970 -3.780 1.00 0.00 C ATOM 107 CE1 TYR A 7 -7.037 15.575 -4.864 1.00 0.00 C ATOM 108 CE2 TYR A 7 -5.135 14.132 -4.728 1.00 0.00 C ATOM 109 CZ TYR A 7 -6.369 14.439 -5.265 1.00 0.00 C ATOM 110 OH TYR A 7 -6.932 13.614 -6.215 1.00 0.00 O ATOM 0 H TYR A 7 -6.153 18.823 -3.474 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.132 19.166 -2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.737 16.569 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.325 17.211 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.006 17.283 -3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.608 14.725 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.999 15.817 -5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.611 13.243 -5.046 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.334 12.857 -6.387 1.00 0.00 H new ATOM 120 N SER A 8 -1.976 19.347 -3.151 1.00 0.00 N ATOM 121 CA SER A 8 -0.633 19.486 -3.689 1.00 0.00 C ATOM 122 C SER A 8 0.234 18.284 -3.326 1.00 0.00 C ATOM 123 O SER A 8 -0.031 17.589 -2.342 1.00 0.00 O ATOM 124 CB SER A 8 -0.003 20.765 -3.136 1.00 0.00 C ATOM 125 OG SER A 8 -0.938 21.832 -3.135 1.00 0.00 O ATOM 0 H SER A 8 -2.238 20.085 -2.497 1.00 0.00 H new ATOM 0 HA SER A 8 -0.696 19.539 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.355 20.589 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.864 21.037 -3.737 1.00 0.00 H new ATOM 0 HG SER A 8 -0.513 22.639 -2.776 1.00 0.00 H new ATOM 131 N ASN A 9 1.280 18.049 -4.115 1.00 0.00 N ATOM 132 CA ASN A 9 2.216 16.960 -3.838 1.00 0.00 C ATOM 133 C ASN A 9 2.850 17.136 -2.466 1.00 0.00 C ATOM 134 O ASN A 9 3.161 16.160 -1.792 1.00 0.00 O ATOM 135 CB ASN A 9 3.307 16.885 -4.910 1.00 0.00 C ATOM 136 CG ASN A 9 2.847 16.183 -6.177 1.00 0.00 C ATOM 137 OD1 ASN A 9 3.652 15.585 -6.891 1.00 0.00 O ATOM 138 ND2 ASN A 9 1.555 16.234 -6.460 1.00 0.00 N ATOM 0 H ASN A 9 1.501 18.595 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 9 1.653 16.027 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.634 17.895 -5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.172 16.361 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.197 15.768 -7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.918 16.739 -5.845 1.00 0.00 H new ATOM 145 N THR A 10 3.019 18.388 -2.054 1.00 0.00 N ATOM 146 CA THR A 10 3.547 18.703 -0.737 1.00 0.00 C ATOM 147 C THR A 10 2.666 18.099 0.360 1.00 0.00 C ATOM 148 O THR A 10 3.168 17.594 1.367 1.00 0.00 O ATOM 149 CB THR A 10 3.633 20.227 -0.548 1.00 0.00 C ATOM 150 OG1 THR A 10 4.082 20.832 -1.768 1.00 0.00 O ATOM 151 CG2 THR A 10 4.588 20.582 0.581 1.00 0.00 C ATOM 0 H THR A 10 2.795 19.206 -2.621 1.00 0.00 H new ATOM 0 HA THR A 10 4.546 18.273 -0.661 1.00 0.00 H new ATOM 0 HB THR A 10 2.643 20.602 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.136 21.803 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.631 21.665 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.236 20.134 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.583 20.202 0.349 1.00 0.00 H new ATOM 159 N GLN A 11 1.353 18.133 0.143 1.00 0.00 N ATOM 160 CA GLN A 11 0.397 17.574 1.090 1.00 0.00 C ATOM 161 C GLN A 11 0.487 16.051 1.094 1.00 0.00 C ATOM 162 O GLN A 11 0.550 15.424 2.150 1.00 0.00 O ATOM 163 CB GLN A 11 -1.025 18.014 0.734 1.00 0.00 C ATOM 164 CG GLN A 11 -2.073 17.562 1.739 1.00 0.00 C ATOM 165 CD GLN A 11 -3.481 17.952 1.333 1.00 0.00 C ATOM 166 OE1 GLN A 11 -3.691 18.947 0.639 1.00 0.00 O ATOM 167 NE2 GLN A 11 -4.461 17.177 1.777 1.00 0.00 N ATOM 0 H GLN A 11 0.927 18.545 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 11 0.639 17.944 2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.052 19.101 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.283 17.620 -0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.019 16.479 1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.847 17.996 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.246 16.361 2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.430 17.397 1.546 1.00 0.00 H new ATOM 176 N VAL A 12 0.507 15.464 -0.096 1.00 0.00 N ATOM 177 CA VAL A 12 0.632 14.017 -0.237 1.00 0.00 C ATOM 178 C VAL A 12 1.924 13.534 0.413 1.00 0.00 C ATOM 179 O VAL A 12 1.925 12.587 1.198 1.00 0.00 O ATOM 180 CB VAL A 12 0.621 13.594 -1.723 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.620 12.076 -1.858 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.572 14.202 -2.448 1.00 0.00 C ATOM 0 H VAL A 12 0.438 15.968 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.224 13.562 0.261 1.00 0.00 H new ATOM 0 HB VAL A 12 1.531 13.972 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.612 11.805 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.513 11.668 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.266 11.668 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.560 13.891 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.495 13.862 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.516 15.289 -2.392 1.00 0.00 H new ATOM 192 N GLU A 13 3.013 14.223 0.098 1.00 0.00 N ATOM 193 CA GLU A 13 4.334 13.883 0.611 1.00 0.00 C ATOM 194 C GLU A 13 4.383 13.956 2.137 1.00 0.00 C ATOM 195 O GLU A 13 4.959 13.080 2.788 1.00 0.00 O ATOM 196 CB GLU A 13 5.368 14.831 0.006 1.00 0.00 C ATOM 197 CG GLU A 13 6.795 14.562 0.439 1.00 0.00 C ATOM 198 CD GLU A 13 7.760 15.558 -0.161 1.00 0.00 C ATOM 199 OE1 GLU A 13 8.219 15.333 -1.302 1.00 0.00 O ATOM 200 OE2 GLU A 13 8.055 16.577 0.499 1.00 0.00 O ATOM 0 H GLU A 13 3.006 15.034 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 13 4.559 12.855 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.312 14.764 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.106 15.854 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.859 14.603 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.081 13.553 0.141 1.00 0.00 H new ATOM 207 N SER A 14 3.772 14.988 2.707 1.00 0.00 N ATOM 208 CA SER A 14 3.781 15.162 4.153 1.00 0.00 C ATOM 209 C SER A 14 2.920 14.102 4.833 1.00 0.00 C ATOM 210 O SER A 14 3.252 13.633 5.921 1.00 0.00 O ATOM 211 CB SER A 14 3.326 16.572 4.534 1.00 0.00 C ATOM 212 OG SER A 14 2.143 16.937 3.846 1.00 0.00 O ATOM 0 H SER A 14 3.268 15.711 2.194 1.00 0.00 H new ATOM 0 HA SER A 14 4.805 15.035 4.505 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.154 16.622 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.117 17.286 4.304 1.00 0.00 H new ATOM 0 HG SER A 14 2.374 17.276 2.956 1.00 0.00 H new ATOM 218 N LEU A 15 1.821 13.715 4.186 1.00 0.00 N ATOM 219 CA LEU A 15 0.995 12.622 4.687 1.00 0.00 C ATOM 220 C LEU A 15 1.798 11.331 4.733 1.00 0.00 C ATOM 221 O LEU A 15 1.737 10.594 5.711 1.00 0.00 O ATOM 222 CB LEU A 15 -0.258 12.423 3.831 1.00 0.00 C ATOM 223 CG LEU A 15 -1.545 13.010 4.414 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.505 14.526 4.404 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.754 12.497 3.649 1.00 0.00 C ATOM 0 H LEU A 15 1.486 14.139 3.321 1.00 0.00 H new ATOM 0 HA LEU A 15 0.677 12.887 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.085 12.870 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.404 11.355 3.672 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.629 12.686 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.432 14.917 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.662 14.872 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.393 14.880 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.662 12.923 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.673 12.789 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.795 11.410 3.720 1.00 0.00 H new ATOM 237 N ILE A 16 2.559 11.072 3.673 1.00 0.00 N ATOM 238 CA ILE A 16 3.439 9.909 3.628 1.00 0.00 C ATOM 239 C ILE A 16 4.415 9.943 4.801 1.00 0.00 C ATOM 240 O ILE A 16 4.640 8.932 5.467 1.00 0.00 O ATOM 241 CB ILE A 16 4.236 9.848 2.305 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.282 9.797 1.110 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.169 8.642 2.293 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.976 9.903 -0.230 1.00 0.00 C ATOM 0 H ILE A 16 2.584 11.652 2.834 1.00 0.00 H new ATOM 0 HA ILE A 16 2.810 9.021 3.692 1.00 0.00 H new ATOM 0 HB ILE A 16 4.842 10.750 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.720 8.864 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.559 10.608 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.720 8.618 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.871 8.717 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.584 7.728 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.235 9.859 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.515 10.849 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.679 9.077 -0.342 1.00 0.00 H new ATOM 256 N ALA A 17 4.971 11.123 5.056 1.00 0.00 N ATOM 257 CA ALA A 17 5.910 11.315 6.154 1.00 0.00 C ATOM 258 C ALA A 17 5.258 10.998 7.493 1.00 0.00 C ATOM 259 O ALA A 17 5.881 10.398 8.365 1.00 0.00 O ATOM 260 CB ALA A 17 6.453 12.737 6.146 1.00 0.00 C ATOM 0 H ALA A 17 4.785 11.966 4.512 1.00 0.00 H new ATOM 0 HA ALA A 17 6.742 10.625 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.153 12.864 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.967 12.925 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.629 13.442 6.257 1.00 0.00 H new ATOM 266 N GLU A 18 3.996 11.391 7.640 1.00 0.00 N ATOM 267 CA GLU A 18 3.230 11.108 8.852 1.00 0.00 C ATOM 268 C GLU A 18 3.198 9.608 9.118 1.00 0.00 C ATOM 269 O GLU A 18 3.466 9.143 10.230 1.00 0.00 O ATOM 270 CB GLU A 18 1.795 11.610 8.694 1.00 0.00 C ATOM 271 CG GLU A 18 1.661 13.113 8.545 1.00 0.00 C ATOM 272 CD GLU A 18 1.823 13.850 9.854 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.848 13.886 10.637 1.00 0.00 O ATOM 274 OE2 GLU A 18 2.907 14.411 10.101 1.00 0.00 O ATOM 0 H GLU A 18 3.479 11.910 6.930 1.00 0.00 H new ATOM 0 HA GLU A 18 3.710 11.617 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.351 11.131 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.216 11.292 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.409 13.471 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.684 13.345 8.121 1.00 0.00 H new ATOM 281 N ILE A 19 2.881 8.858 8.072 1.00 0.00 N ATOM 282 CA ILE A 19 2.751 7.415 8.166 1.00 0.00 C ATOM 283 C ILE A 19 4.113 6.772 8.416 1.00 0.00 C ATOM 284 O ILE A 19 4.222 5.771 9.125 1.00 0.00 O ATOM 285 CB ILE A 19 2.129 6.834 6.881 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.999 7.738 6.391 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.595 5.438 7.143 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.449 7.347 5.038 1.00 0.00 C ATOM 0 H ILE A 19 2.708 9.233 7.139 1.00 0.00 H new ATOM 0 HA ILE A 19 2.091 7.192 9.004 1.00 0.00 H new ATOM 0 HB ILE A 19 2.900 6.779 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.190 7.721 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.362 8.765 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.158 5.038 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.410 4.792 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.833 5.480 7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.349 8.034 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.245 7.392 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.054 6.332 5.085 1.00 0.00 H new ATOM 300 N LEU A 20 5.153 7.366 7.837 1.00 0.00 N ATOM 301 CA LEU A 20 6.522 6.911 8.064 1.00 0.00 C ATOM 302 C LEU A 20 6.902 7.079 9.530 1.00 0.00 C ATOM 303 O LEU A 20 7.585 6.230 10.105 1.00 0.00 O ATOM 304 CB LEU A 20 7.503 7.682 7.176 1.00 0.00 C ATOM 305 CG LEU A 20 7.342 7.453 5.671 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.281 8.363 4.893 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.605 5.994 5.322 1.00 0.00 C ATOM 0 H LEU A 20 5.074 8.164 7.207 1.00 0.00 H new ATOM 0 HA LEU A 20 6.576 5.854 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.391 8.747 7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.519 7.408 7.462 1.00 0.00 H new ATOM 0 HG LEU A 20 6.316 7.694 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.155 8.188 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.050 9.404 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.312 8.150 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.486 5.850 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.621 5.728 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.896 5.359 5.854 1.00 0.00 H new ATOM 319 N VAL A 21 6.452 8.178 10.130 1.00 0.00 N ATOM 320 CA VAL A 21 6.681 8.419 11.549 1.00 0.00 C ATOM 321 C VAL A 21 6.054 7.307 12.382 1.00 0.00 C ATOM 322 O VAL A 21 6.643 6.851 13.356 1.00 0.00 O ATOM 323 CB VAL A 21 6.119 9.789 12.004 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.276 9.973 13.507 1.00 0.00 C ATOM 325 CG2 VAL A 21 6.805 10.924 11.260 1.00 0.00 C ATOM 0 H VAL A 21 5.928 8.913 9.656 1.00 0.00 H new ATOM 0 HA VAL A 21 7.760 8.431 11.704 1.00 0.00 H new ATOM 0 HB VAL A 21 5.055 9.809 11.767 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.873 10.943 13.799 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.735 9.184 14.029 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.332 9.924 13.771 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.396 11.878 11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.876 10.897 11.463 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.636 10.812 10.189 1.00 0.00 H new ATOM 335 N VAL A 22 4.868 6.862 11.982 1.00 0.00 N ATOM 336 CA VAL A 22 4.194 5.754 12.656 1.00 0.00 C ATOM 337 C VAL A 22 5.032 4.479 12.571 1.00 0.00 C ATOM 338 O VAL A 22 5.320 3.841 13.588 1.00 0.00 O ATOM 339 CB VAL A 22 2.805 5.478 12.046 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.089 4.375 12.810 1.00 0.00 C ATOM 341 CG2 VAL A 22 1.971 6.745 12.028 1.00 0.00 C ATOM 0 H VAL A 22 4.351 7.251 11.193 1.00 0.00 H new ATOM 0 HA VAL A 22 4.070 6.046 13.699 1.00 0.00 H new ATOM 0 HB VAL A 22 2.944 5.143 11.018 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.111 4.198 12.362 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.680 3.460 12.767 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.962 4.676 13.850 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.994 6.531 11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.843 7.111 13.047 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.475 7.504 11.430 1.00 0.00 H new ATOM 351 N LEU A 23 5.410 4.116 11.350 1.00 0.00 N ATOM 352 CA LEU A 23 6.259 2.949 11.114 1.00 0.00 C ATOM 353 C LEU A 23 7.540 2.999 11.951 1.00 0.00 C ATOM 354 O LEU A 23 7.896 2.023 12.613 1.00 0.00 O ATOM 355 CB LEU A 23 6.618 2.853 9.629 1.00 0.00 C ATOM 356 CG LEU A 23 5.433 2.645 8.684 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.906 2.644 7.239 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.713 1.343 9.013 1.00 0.00 C ATOM 0 H LEU A 23 5.141 4.615 10.502 1.00 0.00 H new ATOM 0 HA LEU A 23 5.695 2.066 11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.138 3.765 9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.319 2.029 9.494 1.00 0.00 H new ATOM 0 HG LEU A 23 4.731 3.468 8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.053 2.495 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.380 3.599 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.624 1.838 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.873 1.210 8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.404 0.507 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.346 1.379 10.039 1.00 0.00 H new ATOM 370 N GLU A 24 8.223 4.139 11.924 1.00 0.00 N ATOM 371 CA GLU A 24 9.488 4.291 12.640 1.00 0.00 C ATOM 372 C GLU A 24 9.262 4.381 14.149 1.00 0.00 C ATOM 373 O GLU A 24 10.124 3.992 14.940 1.00 0.00 O ATOM 374 CB GLU A 24 10.239 5.531 12.145 1.00 0.00 C ATOM 375 CG GLU A 24 11.637 5.665 12.727 1.00 0.00 C ATOM 376 CD GLU A 24 12.355 6.911 12.261 1.00 0.00 C ATOM 377 OE1 GLU A 24 13.046 6.852 11.222 1.00 0.00 O ATOM 378 OE2 GLU A 24 12.245 7.955 12.939 1.00 0.00 O ATOM 0 H GLU A 24 7.924 4.971 11.415 1.00 0.00 H new ATOM 0 HA GLU A 24 10.093 3.407 12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.309 5.494 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.662 6.421 12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.572 5.676 13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.225 4.789 12.451 1.00 0.00 H new ATOM 385 N LYS A 25 8.093 4.882 14.542 1.00 0.00 N ATOM 386 CA LYS A 25 7.734 5.014 15.952 1.00 0.00 C ATOM 387 C LYS A 25 7.824 3.665 16.659 1.00 0.00 C ATOM 388 O LYS A 25 8.245 3.580 17.812 1.00 0.00 O ATOM 389 CB LYS A 25 6.312 5.570 16.082 1.00 0.00 C ATOM 390 CG LYS A 25 5.888 5.865 17.511 1.00 0.00 C ATOM 391 CD LYS A 25 4.390 6.109 17.608 1.00 0.00 C ATOM 392 CE LYS A 25 3.949 7.314 16.791 1.00 0.00 C ATOM 393 NZ LYS A 25 2.469 7.467 16.787 1.00 0.00 N ATOM 0 H LYS A 25 7.372 5.206 13.897 1.00 0.00 H new ATOM 0 HA LYS A 25 8.436 5.703 16.422 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.237 6.486 15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.613 4.855 15.647 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.164 5.029 18.154 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.425 6.740 17.878 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.856 5.223 17.263 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.115 6.260 18.652 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.407 8.216 17.197 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.306 7.209 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.216 8.384 16.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.042 6.701 16.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.113 7.423 17.763 1.00 0.00 H new ATOM 407 N HIS A 26 7.427 2.614 15.951 1.00 0.00 N ATOM 408 CA HIS A 26 7.473 1.261 16.495 1.00 0.00 C ATOM 409 C HIS A 26 8.666 0.505 15.924 1.00 0.00 C ATOM 410 O HIS A 26 8.910 -0.652 16.278 1.00 0.00 O ATOM 411 CB HIS A 26 6.174 0.511 16.189 1.00 0.00 C ATOM 412 CG HIS A 26 4.963 1.102 16.848 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.473 0.658 18.056 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.142 2.112 16.462 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.405 1.362 18.384 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.183 2.251 17.434 1.00 0.00 N ATOM 0 H HIS A 26 7.069 2.672 14.998 1.00 0.00 H new ATOM 0 HA HIS A 26 7.584 1.328 17.577 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.019 0.498 15.110 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.280 -0.526 16.508 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.228 2.697 15.558 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.813 1.232 19.278 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.423 2.931 17.424 1.00 0.00 H new ATOM 425 N LYS A 27 9.405 1.187 15.051 1.00 0.00 N ATOM 426 CA LYS A 27 10.561 0.619 14.362 1.00 0.00 C ATOM 427 C LYS A 27 10.193 -0.699 13.681 1.00 0.00 C ATOM 428 O LYS A 27 10.798 -1.745 13.932 1.00 0.00 O ATOM 429 CB LYS A 27 11.735 0.429 15.328 1.00 0.00 C ATOM 430 CG LYS A 27 13.051 0.133 14.627 1.00 0.00 C ATOM 431 CD LYS A 27 14.196 -0.008 15.613 1.00 0.00 C ATOM 432 CE LYS A 27 15.506 -0.317 14.905 1.00 0.00 C ATOM 433 NZ LYS A 27 15.899 0.760 13.956 1.00 0.00 N ATOM 0 H LYS A 27 9.216 2.158 14.800 1.00 0.00 H new ATOM 0 HA LYS A 27 10.874 1.322 13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.848 1.329 15.932 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.505 -0.388 16.012 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.955 -0.785 14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.275 0.933 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.299 0.913 16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.969 -0.802 16.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.294 -0.452 15.646 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.412 -1.259 14.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.882 0.612 13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.272 0.738 13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.818 1.684 14.427 1.00 0.00 H new ATOM 447 N ALA A 28 9.192 -0.636 12.816 1.00 0.00 N ATOM 448 CA ALA A 28 8.734 -1.811 12.093 1.00 0.00 C ATOM 449 C ALA A 28 9.730 -2.197 11.007 1.00 0.00 C ATOM 450 O ALA A 28 10.086 -1.371 10.164 1.00 0.00 O ATOM 451 CB ALA A 28 7.361 -1.554 11.489 1.00 0.00 C ATOM 0 H ALA A 28 8.681 0.219 12.598 1.00 0.00 H new ATOM 0 HA ALA A 28 8.657 -2.641 12.795 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.029 -2.441 10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.651 -1.325 12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.419 -0.711 10.800 1.00 0.00 H new ATOM 457 N PRO A 29 10.213 -3.452 11.028 1.00 0.00 N ATOM 458 CA PRO A 29 11.140 -3.960 10.010 1.00 0.00 C ATOM 459 C PRO A 29 10.498 -3.995 8.627 1.00 0.00 C ATOM 460 O PRO A 29 9.295 -3.761 8.489 1.00 0.00 O ATOM 461 CB PRO A 29 11.466 -5.381 10.489 1.00 0.00 C ATOM 462 CG PRO A 29 10.346 -5.749 11.401 1.00 0.00 C ATOM 463 CD PRO A 29 9.902 -4.467 12.047 1.00 0.00 C ATOM 0 HA PRO A 29 12.022 -3.327 9.906 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.535 -6.074 9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.424 -5.412 11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.528 -6.211 10.848 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.673 -6.471 12.150 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.839 -4.484 12.287 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.436 -4.279 12.978 1.00 0.00 H new ATOM 471 N THR A 30 11.291 -4.303 7.609 1.00 0.00 N ATOM 472 CA THR A 30 10.810 -4.322 6.234 1.00 0.00 C ATOM 473 C THR A 30 9.647 -5.301 6.084 1.00 0.00 C ATOM 474 O THR A 30 8.653 -5.005 5.422 1.00 0.00 O ATOM 475 CB THR A 30 11.941 -4.708 5.265 1.00 0.00 C ATOM 476 OG1 THR A 30 13.129 -3.974 5.596 1.00 0.00 O ATOM 477 CG2 THR A 30 11.549 -4.418 3.822 1.00 0.00 C ATOM 0 H THR A 30 12.277 -4.545 7.711 1.00 0.00 H new ATOM 0 HA THR A 30 10.463 -3.319 5.988 1.00 0.00 H new ATOM 0 HB THR A 30 12.126 -5.778 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.849 -4.222 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.367 -4.700 3.159 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.659 -4.992 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.341 -3.354 3.708 1.00 0.00 H new ATOM 485 N ASP A 31 9.771 -6.454 6.733 1.00 0.00 N ATOM 486 CA ASP A 31 8.718 -7.466 6.727 1.00 0.00 C ATOM 487 C ASP A 31 7.411 -6.895 7.264 1.00 0.00 C ATOM 488 O ASP A 31 6.362 -7.001 6.630 1.00 0.00 O ATOM 489 CB ASP A 31 9.120 -8.665 7.588 1.00 0.00 C ATOM 490 CG ASP A 31 10.278 -9.456 7.022 1.00 0.00 C ATOM 491 OD1 ASP A 31 11.435 -9.009 7.169 1.00 0.00 O ATOM 492 OD2 ASP A 31 10.042 -10.553 6.471 1.00 0.00 O ATOM 0 H ASP A 31 10.596 -6.713 7.274 1.00 0.00 H new ATOM 0 HA ASP A 31 8.576 -7.785 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.384 -8.313 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.260 -9.325 7.700 1.00 0.00 H new ATOM 497 N LEU A 32 7.490 -6.272 8.432 1.00 0.00 N ATOM 498 CA LEU A 32 6.306 -5.782 9.119 1.00 0.00 C ATOM 499 C LEU A 32 5.736 -4.545 8.434 1.00 0.00 C ATOM 500 O LEU A 32 4.522 -4.378 8.365 1.00 0.00 O ATOM 501 CB LEU A 32 6.629 -5.475 10.585 1.00 0.00 C ATOM 502 CG LEU A 32 5.430 -5.083 11.455 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.394 -6.198 11.472 1.00 0.00 C ATOM 504 CD2 LEU A 32 5.883 -4.758 12.870 1.00 0.00 C ATOM 0 H LEU A 32 8.366 -6.094 8.924 1.00 0.00 H new ATOM 0 HA LEU A 32 5.550 -6.566 9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.105 -6.351 11.026 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.359 -4.666 10.617 1.00 0.00 H new ATOM 0 HG LEU A 32 4.971 -4.193 11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.550 -5.901 12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.046 -6.387 10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.842 -7.105 11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.019 -4.482 13.474 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.367 -5.632 13.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.588 -3.927 12.844 1.00 0.00 H new ATOM 516 N SER A 33 6.606 -3.683 7.921 1.00 0.00 N ATOM 517 CA SER A 33 6.158 -2.463 7.260 1.00 0.00 C ATOM 518 C SER A 33 5.402 -2.789 5.973 1.00 0.00 C ATOM 519 O SER A 33 4.309 -2.272 5.746 1.00 0.00 O ATOM 520 CB SER A 33 7.344 -1.531 6.982 1.00 0.00 C ATOM 521 OG SER A 33 8.428 -2.236 6.409 1.00 0.00 O ATOM 0 H SER A 33 7.618 -3.804 7.949 1.00 0.00 H new ATOM 0 HA SER A 33 5.471 -1.944 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.031 -0.732 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.664 -1.060 7.911 1.00 0.00 H new ATOM 0 HG SER A 33 8.914 -2.716 7.112 1.00 0.00 H new ATOM 527 N LEU A 34 5.967 -3.671 5.149 1.00 0.00 N ATOM 528 CA LEU A 34 5.294 -4.114 3.930 1.00 0.00 C ATOM 529 C LEU A 34 3.959 -4.771 4.270 1.00 0.00 C ATOM 530 O LEU A 34 2.950 -4.543 3.599 1.00 0.00 O ATOM 531 CB LEU A 34 6.174 -5.099 3.151 1.00 0.00 C ATOM 532 CG LEU A 34 7.477 -4.523 2.589 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.327 -5.628 1.984 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.188 -3.454 1.544 1.00 0.00 C ATOM 0 H LEU A 34 6.884 -4.090 5.303 1.00 0.00 H new ATOM 0 HA LEU A 34 5.112 -3.239 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.420 -5.935 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.590 -5.504 2.324 1.00 0.00 H new ATOM 0 HG LEU A 34 8.028 -4.064 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.249 -5.202 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.566 -6.364 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.776 -6.111 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.128 -3.059 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.615 -3.890 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.614 -2.647 1.999 1.00 0.00 H new ATOM 546 N MET A 35 3.965 -5.573 5.331 1.00 0.00 N ATOM 547 CA MET A 35 2.766 -6.262 5.795 1.00 0.00 C ATOM 548 C MET A 35 1.704 -5.265 6.250 1.00 0.00 C ATOM 549 O MET A 35 0.548 -5.336 5.826 1.00 0.00 O ATOM 550 CB MET A 35 3.123 -7.206 6.947 1.00 0.00 C ATOM 551 CG MET A 35 1.951 -8.029 7.455 1.00 0.00 C ATOM 552 SD MET A 35 2.382 -9.042 8.885 1.00 0.00 S ATOM 553 CE MET A 35 3.725 -10.023 8.217 1.00 0.00 C ATOM 0 H MET A 35 4.797 -5.763 5.890 1.00 0.00 H new ATOM 0 HA MET A 35 2.359 -6.839 4.965 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.913 -7.881 6.619 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.527 -6.620 7.772 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.131 -7.362 7.721 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.590 -8.673 6.654 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.908 -10.879 8.867 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.458 -10.374 7.220 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.626 -9.413 8.157 1.00 0.00 H new ATOM 563 N ALA A 36 2.105 -4.335 7.109 1.00 0.00 N ATOM 564 CA ALA A 36 1.194 -3.330 7.641 1.00 0.00 C ATOM 565 C ALA A 36 0.629 -2.458 6.528 1.00 0.00 C ATOM 566 O ALA A 36 -0.583 -2.264 6.441 1.00 0.00 O ATOM 567 CB ALA A 36 1.898 -2.472 8.681 1.00 0.00 C ATOM 0 H ALA A 36 3.062 -4.257 7.453 1.00 0.00 H new ATOM 0 HA ALA A 36 0.363 -3.848 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.203 -1.726 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.246 -3.103 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.750 -1.970 8.222 1.00 0.00 H new ATOM 573 N LEU A 37 1.513 -1.947 5.675 1.00 0.00 N ATOM 574 CA LEU A 37 1.107 -1.108 4.551 1.00 0.00 C ATOM 575 C LEU A 37 0.117 -1.842 3.660 1.00 0.00 C ATOM 576 O LEU A 37 -0.961 -1.324 3.363 1.00 0.00 O ATOM 577 CB LEU A 37 2.328 -0.678 3.729 1.00 0.00 C ATOM 578 CG LEU A 37 2.957 0.665 4.122 1.00 0.00 C ATOM 579 CD1 LEU A 37 2.014 1.809 3.795 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.322 0.690 5.598 1.00 0.00 C ATOM 0 H LEU A 37 2.519 -2.100 5.741 1.00 0.00 H new ATOM 0 HA LEU A 37 0.622 -0.219 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.090 -1.453 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.037 -0.628 2.680 1.00 0.00 H new ATOM 0 HG LEU A 37 3.873 0.787 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.476 2.754 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.806 1.815 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.082 1.680 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.766 1.654 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.424 0.538 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.038 -0.104 5.809 1.00 0.00 H new ATOM 592 N GLY A 38 0.482 -3.057 3.266 1.00 0.00 N ATOM 593 CA GLY A 38 -0.367 -3.851 2.400 1.00 0.00 C ATOM 594 C GLY A 38 -1.749 -4.069 2.976 1.00 0.00 C ATOM 595 O GLY A 38 -2.750 -3.784 2.319 1.00 0.00 O ATOM 0 H GLY A 38 1.357 -3.508 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.455 -3.357 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.105 -4.818 2.223 1.00 0.00 H new ATOM 599 N ASN A 39 -1.807 -4.539 4.219 1.00 0.00 N ATOM 600 CA ASN A 39 -3.084 -4.838 4.860 1.00 0.00 C ATOM 601 C ASN A 39 -3.940 -3.588 4.998 1.00 0.00 C ATOM 602 O ASN A 39 -5.168 -3.657 4.938 1.00 0.00 O ATOM 603 CB ASN A 39 -2.875 -5.456 6.239 1.00 0.00 C ATOM 604 CG ASN A 39 -2.398 -6.896 6.184 1.00 0.00 C ATOM 605 OD1 ASN A 39 -2.717 -7.637 5.255 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.639 -7.308 7.190 1.00 0.00 N ATOM 0 H ASN A 39 -0.989 -4.720 4.800 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.601 -5.553 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.148 -4.860 6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.811 -5.411 6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.298 -8.269 7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.396 -6.664 7.942 1.00 0.00 H new ATOM 613 N CYS A 40 -3.303 -2.444 5.197 1.00 0.00 N ATOM 614 CA CYS A 40 -4.040 -1.200 5.300 1.00 0.00 C ATOM 615 C CYS A 40 -4.650 -0.832 3.961 1.00 0.00 C ATOM 616 O CYS A 40 -5.847 -0.554 3.881 1.00 0.00 O ATOM 617 CB CYS A 40 -3.160 -0.064 5.802 1.00 0.00 C ATOM 618 SG CYS A 40 -2.486 -0.329 7.456 1.00 0.00 S ATOM 0 H CYS A 40 -2.291 -2.354 5.289 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.837 -1.352 6.027 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.335 0.078 5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.741 0.858 5.801 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.476 -1.144 7.387 1.00 0.00 H new ATOM 624 N VAL A 41 -3.830 -0.856 2.916 1.00 0.00 N ATOM 625 CA VAL A 41 -4.284 -0.519 1.573 1.00 0.00 C ATOM 626 C VAL A 41 -5.433 -1.425 1.153 1.00 0.00 C ATOM 627 O VAL A 41 -6.443 -0.947 0.643 1.00 0.00 O ATOM 628 CB VAL A 41 -3.141 -0.617 0.536 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.642 -0.281 -0.863 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.989 0.300 0.916 1.00 0.00 C ATOM 0 H VAL A 41 -2.843 -1.107 2.975 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.628 0.515 1.602 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.781 -1.646 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.818 -0.358 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.430 -0.980 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.037 0.735 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.196 0.215 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.342 1.331 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.602 0.012 1.894 1.00 0.00 H new ATOM 640 N THR A 42 -5.299 -2.726 1.398 1.00 0.00 N ATOM 641 CA THR A 42 -6.353 -3.659 1.038 1.00 0.00 C ATOM 642 C THR A 42 -7.623 -3.355 1.830 1.00 0.00 C ATOM 643 O THR A 42 -8.715 -3.290 1.273 1.00 0.00 O ATOM 644 CB THR A 42 -5.937 -5.123 1.293 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.631 -5.366 0.764 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.921 -6.083 0.643 1.00 0.00 C ATOM 0 H THR A 42 -4.482 -3.150 1.838 1.00 0.00 H new ATOM 0 HA THR A 42 -6.540 -3.536 -0.029 1.00 0.00 H new ATOM 0 HB THR A 42 -5.933 -5.288 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.961 -4.934 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.609 -7.109 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.915 -5.922 1.060 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.945 -5.906 -0.432 1.00 0.00 H new ATOM 654 N HIS A 43 -7.462 -3.113 3.127 1.00 0.00 N ATOM 655 CA HIS A 43 -8.606 -2.954 4.013 1.00 0.00 C ATOM 656 C HIS A 43 -9.359 -1.648 3.737 1.00 0.00 C ATOM 657 O HIS A 43 -10.572 -1.582 3.913 1.00 0.00 O ATOM 658 CB HIS A 43 -8.166 -3.085 5.491 1.00 0.00 C ATOM 659 CG HIS A 43 -7.900 -1.819 6.241 1.00 0.00 C ATOM 660 ND1 HIS A 43 -6.671 -1.530 6.779 1.00 0.00 N ATOM 661 CD2 HIS A 43 -8.715 -0.804 6.610 1.00 0.00 C ATOM 662 CE1 HIS A 43 -6.741 -0.400 7.446 1.00 0.00 C ATOM 663 NE2 HIS A 43 -7.974 0.065 7.361 1.00 0.00 N ATOM 0 H HIS A 43 -6.555 -3.023 3.585 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.313 -3.758 3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.939 -3.638 6.025 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.261 -3.692 5.521 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.760 -0.700 6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.926 0.070 7.976 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.316 0.928 7.785 1.00 0.00 H new ATOM 672 N LEU A 44 -8.656 -0.606 3.299 1.00 0.00 N ATOM 673 CA LEU A 44 -9.332 0.645 2.975 1.00 0.00 C ATOM 674 C LEU A 44 -9.846 0.617 1.541 1.00 0.00 C ATOM 675 O LEU A 44 -10.754 1.366 1.182 1.00 0.00 O ATOM 676 CB LEU A 44 -8.446 1.880 3.252 1.00 0.00 C ATOM 677 CG LEU A 44 -7.028 1.882 2.679 1.00 0.00 C ATOM 678 CD1 LEU A 44 -7.029 2.230 1.198 1.00 0.00 C ATOM 679 CD2 LEU A 44 -6.164 2.877 3.438 1.00 0.00 C ATOM 0 H LEU A 44 -7.645 -0.601 3.163 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.192 0.739 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.965 2.758 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.371 2.003 4.332 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.619 0.878 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.006 2.223 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.622 1.496 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.460 3.221 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.156 2.873 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.591 3.876 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.126 2.597 4.491 1.00 0.00 H new ATOM 691 N LEU A 45 -9.285 -0.277 0.739 1.00 0.00 N ATOM 692 CA LEU A 45 -9.766 -0.506 -0.616 1.00 0.00 C ATOM 693 C LEU A 45 -11.138 -1.175 -0.557 1.00 0.00 C ATOM 694 O LEU A 45 -12.021 -0.890 -1.361 1.00 0.00 O ATOM 695 CB LEU A 45 -8.750 -1.371 -1.383 1.00 0.00 C ATOM 696 CG LEU A 45 -9.005 -1.570 -2.882 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.698 -1.875 -3.593 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.990 -2.704 -3.121 1.00 0.00 C ATOM 0 H LEU A 45 -8.491 -0.859 1.006 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.870 0.441 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.763 -0.924 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.715 -2.353 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.433 -0.649 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.887 -2.015 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.006 -1.045 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.262 -2.784 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.153 -2.824 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.587 -3.629 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.937 -2.472 -2.633 1.00 0.00 H new ATOM 710 N GLU A 46 -11.312 -2.058 0.417 1.00 0.00 N ATOM 711 CA GLU A 46 -12.585 -2.740 0.617 1.00 0.00 C ATOM 712 C GLU A 46 -13.610 -1.809 1.254 1.00 0.00 C ATOM 713 O GLU A 46 -14.796 -1.850 0.924 1.00 0.00 O ATOM 714 CB GLU A 46 -12.393 -3.957 1.519 1.00 0.00 C ATOM 715 CG GLU A 46 -11.345 -4.935 1.025 1.00 0.00 C ATOM 716 CD GLU A 46 -11.064 -6.021 2.039 1.00 0.00 C ATOM 717 OE1 GLU A 46 -10.400 -5.729 3.056 1.00 0.00 O ATOM 718 OE2 GLU A 46 -11.524 -7.158 1.837 1.00 0.00 O ATOM 0 H GLU A 46 -10.586 -2.320 1.083 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.951 -3.056 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.115 -3.616 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.345 -4.479 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.682 -5.388 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.423 -4.398 0.804 1.00 0.00 H new ATOM 725 N ARG A 47 -13.143 -0.953 2.150 1.00 0.00 N ATOM 726 CA ARG A 47 -14.026 -0.154 2.979 1.00 0.00 C ATOM 727 C ARG A 47 -14.456 1.113 2.259 1.00 0.00 C ATOM 728 O ARG A 47 -15.632 1.475 2.267 1.00 0.00 O ATOM 729 CB ARG A 47 -13.323 0.206 4.292 1.00 0.00 C ATOM 730 CG ARG A 47 -14.180 1.023 5.242 1.00 0.00 C ATOM 731 CD ARG A 47 -15.419 0.258 5.674 1.00 0.00 C ATOM 732 NE ARG A 47 -16.292 1.070 6.516 1.00 0.00 N ATOM 733 CZ ARG A 47 -17.100 0.574 7.448 1.00 0.00 C ATOM 734 NH1 ARG A 47 -17.154 -0.735 7.665 1.00 0.00 N ATOM 735 NH2 ARG A 47 -17.862 1.391 8.159 1.00 0.00 N ATOM 0 H ARG A 47 -12.150 -0.795 2.321 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.918 -0.743 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.016 -0.712 4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.415 0.764 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.594 1.294 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.476 1.953 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.968 -0.071 4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.121 -0.639 6.218 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.282 2.081 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.573 -1.368 7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.776 -1.108 8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.828 2.396 7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.483 1.015 8.875 1.00 0.00 H new ATOM 749 N LYS A 48 -13.505 1.783 1.629 1.00 0.00 N ATOM 750 CA LYS A 48 -13.784 3.071 1.021 1.00 0.00 C ATOM 751 C LYS A 48 -14.231 2.918 -0.430 1.00 0.00 C ATOM 752 O LYS A 48 -14.867 3.814 -0.990 1.00 0.00 O ATOM 753 CB LYS A 48 -12.560 3.989 1.106 1.00 0.00 C ATOM 754 CG LYS A 48 -12.074 4.258 2.527 1.00 0.00 C ATOM 755 CD LYS A 48 -13.156 4.890 3.395 1.00 0.00 C ATOM 756 CE LYS A 48 -13.577 6.260 2.885 1.00 0.00 C ATOM 757 NZ LYS A 48 -12.470 7.254 2.942 1.00 0.00 N ATOM 0 H LYS A 48 -12.543 1.460 1.526 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.602 3.526 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.746 3.543 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.800 4.940 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.747 3.322 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.206 4.917 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.025 4.233 3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.791 4.982 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.927 6.170 1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.417 6.622 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.843 8.201 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.050 7.252 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.743 7.004 2.242 1.00 0.00 H new ATOM 771 N VAL A 49 -13.904 1.782 -1.032 1.00 0.00 N ATOM 772 CA VAL A 49 -14.274 1.514 -2.418 1.00 0.00 C ATOM 773 C VAL A 49 -15.338 0.420 -2.482 1.00 0.00 C ATOM 774 O VAL A 49 -15.210 -0.619 -1.830 1.00 0.00 O ATOM 775 CB VAL A 49 -13.044 1.090 -3.259 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.424 0.859 -4.712 1.00 0.00 C ATOM 777 CG2 VAL A 49 -11.934 2.125 -3.156 1.00 0.00 C ATOM 0 H VAL A 49 -13.382 1.029 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.676 2.437 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.675 0.148 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.540 0.563 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.174 0.070 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.831 1.779 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.081 1.805 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.296 3.085 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.628 2.228 -2.115 1.00 0.00 H new ATOM 787 N PRO A 50 -16.425 0.658 -3.239 1.00 0.00 N ATOM 788 CA PRO A 50 -17.493 -0.329 -3.435 1.00 0.00 C ATOM 789 C PRO A 50 -16.979 -1.609 -4.094 1.00 0.00 C ATOM 790 O PRO A 50 -15.978 -1.587 -4.816 1.00 0.00 O ATOM 791 CB PRO A 50 -18.490 0.385 -4.357 1.00 0.00 C ATOM 792 CG PRO A 50 -17.717 1.497 -4.976 1.00 0.00 C ATOM 793 CD PRO A 50 -16.707 1.914 -3.949 1.00 0.00 C ATOM 0 HA PRO A 50 -17.930 -0.646 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.881 -0.293 -5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.345 0.763 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.229 1.170 -5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.371 2.328 -5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.810 2.328 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.103 2.677 -3.279 1.00 0.00 H new ATOM 801 N SER A 51 -17.683 -2.708 -3.854 1.00 0.00 N ATOM 802 CA SER A 51 -17.262 -4.031 -4.306 1.00 0.00 C ATOM 803 C SER A 51 -17.003 -4.064 -5.812 1.00 0.00 C ATOM 804 O SER A 51 -16.004 -4.626 -6.263 1.00 0.00 O ATOM 805 CB SER A 51 -18.326 -5.064 -3.935 1.00 0.00 C ATOM 806 OG SER A 51 -18.645 -4.987 -2.555 1.00 0.00 O ATOM 0 H SER A 51 -18.564 -2.709 -3.340 1.00 0.00 H new ATOM 0 HA SER A 51 -16.323 -4.272 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.224 -4.897 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.966 -6.065 -4.174 1.00 0.00 H new ATOM 0 HG SER A 51 -19.329 -5.655 -2.340 1.00 0.00 H new ATOM 812 N GLU A 52 -17.889 -3.433 -6.574 1.00 0.00 N ATOM 813 CA GLU A 52 -17.791 -3.433 -8.031 1.00 0.00 C ATOM 814 C GLU A 52 -16.491 -2.796 -8.517 1.00 0.00 C ATOM 815 O GLU A 52 -15.933 -3.204 -9.533 1.00 0.00 O ATOM 816 CB GLU A 52 -18.984 -2.695 -8.642 1.00 0.00 C ATOM 817 CG GLU A 52 -20.321 -3.337 -8.321 1.00 0.00 C ATOM 818 CD GLU A 52 -20.410 -4.764 -8.813 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.039 -5.680 -8.056 1.00 0.00 O ATOM 820 OE2 GLU A 52 -20.859 -4.976 -9.958 1.00 0.00 O ATOM 0 H GLU A 52 -18.686 -2.913 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.796 -4.474 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.988 -1.666 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.860 -2.654 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.481 -3.317 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.120 -2.750 -8.773 1.00 0.00 H new ATOM 827 N SER A 53 -16.000 -1.810 -7.783 1.00 0.00 N ATOM 828 CA SER A 53 -14.827 -1.066 -8.210 1.00 0.00 C ATOM 829 C SER A 53 -13.555 -1.597 -7.553 1.00 0.00 C ATOM 830 O SER A 53 -12.453 -1.196 -7.918 1.00 0.00 O ATOM 831 CB SER A 53 -15.014 0.414 -7.884 1.00 0.00 C ATOM 832 OG SER A 53 -16.255 0.881 -8.388 1.00 0.00 O ATOM 0 H SER A 53 -16.394 -1.508 -6.892 1.00 0.00 H new ATOM 0 HA SER A 53 -14.716 -1.192 -9.287 1.00 0.00 H new ATOM 0 HB2 SER A 53 -14.974 0.563 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.198 0.993 -8.316 1.00 0.00 H new ATOM 0 HG SER A 53 -16.360 1.830 -8.169 1.00 0.00 H new ATOM 838 N ARG A 54 -13.713 -2.514 -6.600 1.00 0.00 N ATOM 839 CA ARG A 54 -12.574 -3.045 -5.852 1.00 0.00 C ATOM 840 C ARG A 54 -11.560 -3.710 -6.774 1.00 0.00 C ATOM 841 O ARG A 54 -10.370 -3.427 -6.700 1.00 0.00 O ATOM 842 CB ARG A 54 -13.031 -4.043 -4.788 1.00 0.00 C ATOM 843 CG ARG A 54 -13.733 -3.401 -3.605 1.00 0.00 C ATOM 844 CD ARG A 54 -14.153 -4.443 -2.586 1.00 0.00 C ATOM 845 NE ARG A 54 -14.909 -3.860 -1.479 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.783 -4.543 -0.736 1.00 0.00 C ATOM 847 NH1 ARG A 54 -16.020 -5.822 -0.999 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.415 -3.947 0.266 1.00 0.00 N ATOM 0 H ARG A 54 -14.615 -2.904 -6.328 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.094 -2.198 -5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.703 -4.767 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.164 -4.597 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.069 -2.675 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.609 -2.854 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.759 -5.205 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.267 -4.944 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.760 -2.875 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.534 -6.283 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.688 -6.344 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.234 -2.964 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.082 -4.471 0.832 1.00 0.00 H new ATOM 862 N GLN A 55 -12.038 -4.587 -7.646 1.00 0.00 N ATOM 863 CA GLN A 55 -11.157 -5.306 -8.560 1.00 0.00 C ATOM 864 C GLN A 55 -10.537 -4.362 -9.583 1.00 0.00 C ATOM 865 O GLN A 55 -9.391 -4.545 -9.997 1.00 0.00 O ATOM 866 CB GLN A 55 -11.921 -6.425 -9.266 1.00 0.00 C ATOM 867 CG GLN A 55 -12.299 -7.571 -8.344 1.00 0.00 C ATOM 868 CD GLN A 55 -13.126 -8.626 -9.048 1.00 0.00 C ATOM 869 OE1 GLN A 55 -14.355 -8.573 -9.045 1.00 0.00 O ATOM 870 NE2 GLN A 55 -12.458 -9.583 -9.673 1.00 0.00 N ATOM 0 H GLN A 55 -13.027 -4.818 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.350 -5.746 -7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.827 -6.012 -9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.312 -6.811 -10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.393 -8.028 -7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.859 -7.181 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.438 -9.591 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.963 -10.312 -10.176 1.00 0.00 H new ATOM 879 N ALA A 56 -11.291 -3.339 -9.970 1.00 0.00 N ATOM 880 CA ALA A 56 -10.820 -2.369 -10.948 1.00 0.00 C ATOM 881 C ALA A 56 -9.667 -1.548 -10.383 1.00 0.00 C ATOM 882 O ALA A 56 -8.610 -1.432 -11.004 1.00 0.00 O ATOM 883 CB ALA A 56 -11.962 -1.463 -11.383 1.00 0.00 C ATOM 0 H ALA A 56 -12.232 -3.161 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.453 -2.909 -11.821 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.596 -0.742 -12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.753 -2.064 -11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.356 -0.932 -10.516 1.00 0.00 H new ATOM 889 N VAL A 57 -9.863 -1.002 -9.188 1.00 0.00 N ATOM 890 CA VAL A 57 -8.844 -0.174 -8.555 1.00 0.00 C ATOM 891 C VAL A 57 -7.676 -1.017 -8.085 1.00 0.00 C ATOM 892 O VAL A 57 -6.571 -0.520 -7.940 1.00 0.00 O ATOM 893 CB VAL A 57 -9.401 0.637 -7.368 1.00 0.00 C ATOM 894 CG1 VAL A 57 -10.551 1.493 -7.834 1.00 0.00 C ATOM 895 CG2 VAL A 57 -9.834 -0.268 -6.224 1.00 0.00 C ATOM 0 H VAL A 57 -10.715 -1.117 -8.640 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.504 0.530 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.605 1.278 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.943 2.065 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.205 2.177 -8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.338 0.856 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.221 0.340 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.613 -0.947 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.979 -0.846 -5.874 1.00 0.00 H new ATOM 905 N ALA A 58 -7.930 -2.292 -7.848 1.00 0.00 N ATOM 906 CA ALA A 58 -6.884 -3.215 -7.450 1.00 0.00 C ATOM 907 C ALA A 58 -5.875 -3.389 -8.577 1.00 0.00 C ATOM 908 O ALA A 58 -4.663 -3.326 -8.358 1.00 0.00 O ATOM 909 CB ALA A 58 -7.499 -4.545 -7.058 1.00 0.00 C ATOM 0 H ALA A 58 -8.856 -2.712 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.355 -2.810 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.711 -5.236 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.186 -4.397 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.042 -4.959 -7.907 1.00 0.00 H new ATOM 915 N GLU A 59 -6.389 -3.581 -9.788 1.00 0.00 N ATOM 916 CA GLU A 59 -5.549 -3.693 -10.972 1.00 0.00 C ATOM 917 C GLU A 59 -4.821 -2.383 -11.247 1.00 0.00 C ATOM 918 O GLU A 59 -3.622 -2.375 -11.513 1.00 0.00 O ATOM 919 CB GLU A 59 -6.390 -4.085 -12.189 1.00 0.00 C ATOM 920 CG GLU A 59 -6.882 -5.522 -12.158 1.00 0.00 C ATOM 921 CD GLU A 59 -5.765 -6.524 -12.374 1.00 0.00 C ATOM 922 OE1 GLU A 59 -5.488 -6.869 -13.544 1.00 0.00 O ATOM 923 OE2 GLU A 59 -5.159 -6.971 -11.381 1.00 0.00 O ATOM 0 H GLU A 59 -7.389 -3.662 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.808 -4.470 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.250 -3.418 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.799 -3.933 -13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.361 -5.718 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.642 -5.659 -12.927 1.00 0.00 H new ATOM 930 N GLN A 60 -5.551 -1.275 -11.168 1.00 0.00 N ATOM 931 CA GLN A 60 -4.986 0.042 -11.456 1.00 0.00 C ATOM 932 C GLN A 60 -3.962 0.450 -10.405 1.00 0.00 C ATOM 933 O GLN A 60 -2.914 0.991 -10.740 1.00 0.00 O ATOM 934 CB GLN A 60 -6.091 1.098 -11.520 1.00 0.00 C ATOM 935 CG GLN A 60 -7.086 0.893 -12.647 1.00 0.00 C ATOM 936 CD GLN A 60 -8.218 1.900 -12.604 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.620 2.359 -11.537 1.00 0.00 O ATOM 938 NE2 GLN A 60 -8.729 2.261 -13.767 1.00 0.00 N ATOM 0 H GLN A 60 -6.537 -1.261 -10.907 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.487 -0.023 -12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.629 1.102 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.632 2.081 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.569 0.971 -13.604 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.497 -0.115 -12.588 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.367 1.856 -14.631 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.485 2.944 -13.802 1.00 0.00 H new ATOM 947 N PHE A 61 -4.272 0.211 -9.136 1.00 0.00 N ATOM 948 CA PHE A 61 -3.342 0.528 -8.056 1.00 0.00 C ATOM 949 C PHE A 61 -2.038 -0.237 -8.234 1.00 0.00 C ATOM 950 O PHE A 61 -0.958 0.347 -8.183 1.00 0.00 O ATOM 951 CB PHE A 61 -3.953 0.210 -6.689 1.00 0.00 C ATOM 952 CG PHE A 61 -3.047 0.549 -5.542 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.896 1.861 -5.131 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.340 -0.443 -4.883 1.00 0.00 C ATOM 955 CE1 PHE A 61 -2.062 2.179 -4.079 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.504 -0.132 -3.830 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.362 1.181 -3.429 1.00 0.00 C ATOM 0 H PHE A 61 -5.154 -0.199 -8.830 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.135 1.597 -8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.888 0.760 -6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.200 -0.851 -6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.437 2.645 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.444 -1.471 -5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.957 3.207 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.962 -0.915 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.705 1.428 -2.608 1.00 0.00 H new ATOM 967 N ALA A 62 -2.145 -1.543 -8.455 1.00 0.00 N ATOM 968 CA ALA A 62 -0.972 -2.372 -8.697 1.00 0.00 C ATOM 969 C ALA A 62 -0.259 -1.915 -9.962 1.00 0.00 C ATOM 970 O ALA A 62 0.969 -1.937 -10.042 1.00 0.00 O ATOM 971 CB ALA A 62 -1.368 -3.836 -8.806 1.00 0.00 C ATOM 0 H ALA A 62 -3.031 -2.049 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.289 -2.265 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.479 -4.441 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.841 -4.155 -7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.068 -3.963 -9.632 1.00 0.00 H new ATOM 977 N LYS A 63 -1.048 -1.486 -10.936 1.00 0.00 N ATOM 978 CA LYS A 63 -0.531 -0.965 -12.192 1.00 0.00 C ATOM 979 C LYS A 63 0.310 0.284 -11.943 1.00 0.00 C ATOM 980 O LYS A 63 1.460 0.369 -12.376 1.00 0.00 O ATOM 981 CB LYS A 63 -1.698 -0.640 -13.131 1.00 0.00 C ATOM 982 CG LYS A 63 -1.290 -0.429 -14.577 1.00 0.00 C ATOM 983 CD LYS A 63 -0.597 -1.660 -15.128 1.00 0.00 C ATOM 984 CE LYS A 63 -1.515 -2.875 -15.163 1.00 0.00 C ATOM 985 NZ LYS A 63 -2.614 -2.726 -16.154 1.00 0.00 N ATOM 0 H LYS A 63 -2.066 -1.490 -10.877 1.00 0.00 H new ATOM 0 HA LYS A 63 0.104 -1.719 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.424 -1.451 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.200 0.258 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.170 -0.203 -15.178 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.625 0.431 -14.650 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.237 -1.451 -16.135 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.277 -1.886 -14.517 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.930 -3.762 -15.404 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.941 -3.034 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.140 -3.620 -16.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.258 -1.970 -15.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.214 -2.484 -17.083 1.00 0.00 H new ATOM 999 N ALA A 64 -0.272 1.242 -11.228 1.00 0.00 N ATOM 1000 CA ALA A 64 0.404 2.491 -10.904 1.00 0.00 C ATOM 1001 C ALA A 64 1.621 2.238 -10.024 1.00 0.00 C ATOM 1002 O ALA A 64 2.673 2.848 -10.217 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.557 3.446 -10.211 1.00 0.00 C ATOM 0 H ALA A 64 -1.221 1.174 -10.859 1.00 0.00 H new ATOM 0 HA ALA A 64 0.744 2.945 -11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.039 4.375 -9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.399 3.657 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.923 2.990 -9.291 1.00 0.00 H new ATOM 1009 N LEU A 65 1.467 1.336 -9.064 1.00 0.00 N ATOM 1010 CA LEU A 65 2.548 0.985 -8.154 1.00 0.00 C ATOM 1011 C LEU A 65 3.716 0.389 -8.928 1.00 0.00 C ATOM 1012 O LEU A 65 4.825 0.912 -8.886 1.00 0.00 O ATOM 1013 CB LEU A 65 2.057 -0.020 -7.111 1.00 0.00 C ATOM 1014 CG LEU A 65 3.008 -0.279 -5.940 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.958 0.872 -4.948 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.664 -1.594 -5.258 1.00 0.00 C ATOM 0 H LEU A 65 0.597 0.831 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 65 2.881 1.891 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.106 0.334 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.860 -0.968 -7.611 1.00 0.00 H new ATOM 0 HG LEU A 65 4.024 -0.350 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.640 0.671 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.254 1.795 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.944 0.977 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.349 -1.763 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.642 -1.552 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.754 -2.410 -5.975 1.00 0.00 H new ATOM 1028 N ALA A 66 3.449 -0.689 -9.658 1.00 0.00 N ATOM 1029 CA ALA A 66 4.487 -1.374 -10.418 1.00 0.00 C ATOM 1030 C ALA A 66 5.144 -0.429 -11.416 1.00 0.00 C ATOM 1031 O ALA A 66 6.358 -0.469 -11.615 1.00 0.00 O ATOM 1032 CB ALA A 66 3.915 -2.587 -11.136 1.00 0.00 C ATOM 0 H ALA A 66 2.522 -1.107 -9.739 1.00 0.00 H new ATOM 0 HA ALA A 66 5.248 -1.714 -9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.706 -3.084 -11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.499 -3.280 -10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.130 -2.267 -11.821 1.00 0.00 H new ATOM 1038 N GLN A 67 4.337 0.431 -12.030 1.00 0.00 N ATOM 1039 CA GLN A 67 4.843 1.382 -13.012 1.00 0.00 C ATOM 1040 C GLN A 67 5.782 2.390 -12.356 1.00 0.00 C ATOM 1041 O GLN A 67 6.859 2.663 -12.878 1.00 0.00 O ATOM 1042 CB GLN A 67 3.690 2.108 -13.712 1.00 0.00 C ATOM 1043 CG GLN A 67 4.128 2.991 -14.875 1.00 0.00 C ATOM 1044 CD GLN A 67 4.874 2.220 -15.950 1.00 0.00 C ATOM 1045 OE1 GLN A 67 4.269 1.665 -16.865 1.00 0.00 O ATOM 1046 NE2 GLN A 67 6.194 2.206 -15.866 1.00 0.00 N ATOM 0 H GLN A 67 3.332 0.488 -11.865 1.00 0.00 H new ATOM 0 HA GLN A 67 5.404 0.823 -13.761 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.978 1.369 -14.079 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.164 2.722 -12.981 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.251 3.465 -15.316 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.766 3.790 -14.498 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.661 2.678 -15.092 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.745 1.723 -16.576 1.00 0.00 H new ATOM 1055 N SER A 68 5.393 2.915 -11.200 1.00 0.00 N ATOM 1056 CA SER A 68 6.210 3.916 -10.521 1.00 0.00 C ATOM 1057 C SER A 68 7.469 3.288 -9.929 1.00 0.00 C ATOM 1058 O SER A 68 8.449 3.981 -9.651 1.00 0.00 O ATOM 1059 CB SER A 68 5.395 4.635 -9.440 1.00 0.00 C ATOM 1060 OG SER A 68 4.679 3.717 -8.632 1.00 0.00 O ATOM 0 H SER A 68 4.529 2.669 -10.718 1.00 0.00 H new ATOM 0 HA SER A 68 6.523 4.654 -11.259 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.062 5.228 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.698 5.329 -9.910 1.00 0.00 H new ATOM 0 HG SER A 68 3.848 3.462 -9.084 1.00 0.00 H new ATOM 1066 N VAL A 69 7.452 1.972 -9.762 1.00 0.00 N ATOM 1067 CA VAL A 69 8.601 1.250 -9.244 1.00 0.00 C ATOM 1068 C VAL A 69 9.680 1.115 -10.318 1.00 0.00 C ATOM 1069 O VAL A 69 10.863 1.328 -10.057 1.00 0.00 O ATOM 1070 CB VAL A 69 8.200 -0.152 -8.730 1.00 0.00 C ATOM 1071 CG1 VAL A 69 9.426 -0.984 -8.407 1.00 0.00 C ATOM 1072 CG2 VAL A 69 7.309 -0.038 -7.503 1.00 0.00 C ATOM 0 H VAL A 69 6.649 1.382 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 69 8.998 1.824 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 69 7.644 -0.652 -9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.116 -1.965 -8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.033 -1.102 -9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.012 -0.484 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.038 -1.035 -7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.844 0.488 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.406 0.515 -7.760 1.00 0.00 H new ATOM 1082 N LYS A 70 9.263 0.775 -11.528 1.00 0.00 N ATOM 1083 CA LYS A 70 10.207 0.593 -12.620 1.00 0.00 C ATOM 1084 C LYS A 70 10.552 1.919 -13.291 1.00 0.00 C ATOM 1085 O LYS A 70 11.653 2.089 -13.803 1.00 0.00 O ATOM 1086 CB LYS A 70 9.679 -0.438 -13.622 1.00 0.00 C ATOM 1087 CG LYS A 70 8.230 -0.247 -14.035 1.00 0.00 C ATOM 1088 CD LYS A 70 7.681 -1.520 -14.664 1.00 0.00 C ATOM 1089 CE LYS A 70 6.166 -1.488 -14.799 1.00 0.00 C ATOM 1090 NZ LYS A 70 5.623 -2.821 -15.174 1.00 0.00 N ATOM 0 H LYS A 70 8.286 0.621 -11.778 1.00 0.00 H new ATOM 0 HA LYS A 70 11.136 0.204 -12.204 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.303 -0.407 -14.515 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.790 -1.433 -13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.631 0.023 -13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.154 0.578 -14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.129 -1.659 -15.648 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.972 -2.378 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.723 -1.165 -13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.882 -0.753 -15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.588 -2.763 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.028 -3.117 -16.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.873 -3.516 -14.442 1.00 0.00 H new ATOM 1104 N SER A 71 9.627 2.872 -13.253 1.00 0.00 N ATOM 1105 CA SER A 71 9.910 4.205 -13.768 1.00 0.00 C ATOM 1106 C SER A 71 10.681 5.028 -12.738 1.00 0.00 C ATOM 1107 O SER A 71 11.007 6.190 -12.973 1.00 0.00 O ATOM 1108 CB SER A 71 8.610 4.918 -14.156 1.00 0.00 C ATOM 1109 OG SER A 71 7.935 4.209 -15.179 1.00 0.00 O ATOM 0 H SER A 71 8.687 2.749 -12.876 1.00 0.00 H new ATOM 0 HA SER A 71 10.529 4.103 -14.660 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.964 5.008 -13.282 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.832 5.930 -14.494 1.00 0.00 H new ATOM 0 HG SER A 71 7.107 4.679 -15.411 1.00 0.00 H new ATOM 1115 N ASN A 72 10.973 4.410 -11.595 1.00 0.00 N ATOM 1116 CA ASN A 72 11.818 5.031 -10.584 1.00 0.00 C ATOM 1117 C ASN A 72 13.242 5.122 -11.109 1.00 0.00 C ATOM 1118 O ASN A 72 13.908 6.149 -10.974 1.00 0.00 O ATOM 1119 CB ASN A 72 11.789 4.209 -9.290 1.00 0.00 C ATOM 1120 CG ASN A 72 12.623 4.823 -8.178 1.00 0.00 C ATOM 1121 OD1 ASN A 72 13.834 4.610 -8.101 1.00 0.00 O ATOM 1122 ND2 ASN A 72 11.975 5.561 -7.294 1.00 0.00 N ATOM 0 H ASN A 72 10.635 3.480 -11.348 1.00 0.00 H new ATOM 0 HA ASN A 72 11.444 6.032 -10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.758 4.111 -8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.154 3.203 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.478 5.979 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.971 5.713 -7.394 1.00 0.00 H new ATOM 1129 N LEU A 73 13.695 4.043 -11.738 1.00 0.00 N ATOM 1130 CA LEU A 73 15.031 3.993 -12.312 1.00 0.00 C ATOM 1131 C LEU A 73 14.986 4.284 -13.810 1.00 0.00 C ATOM 1132 O LEU A 73 15.927 4.846 -14.369 1.00 0.00 O ATOM 1133 CB LEU A 73 15.701 2.633 -12.049 1.00 0.00 C ATOM 1134 CG LEU A 73 15.009 1.403 -12.653 1.00 0.00 C ATOM 1135 CD1 LEU A 73 16.009 0.272 -12.833 1.00 0.00 C ATOM 1136 CD2 LEU A 73 13.863 0.939 -11.765 1.00 0.00 C ATOM 0 H LEU A 73 13.152 3.188 -11.863 1.00 0.00 H new ATOM 0 HA LEU A 73 15.630 4.763 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.720 2.674 -12.433 1.00 0.00 H new ATOM 0 HB3 LEU A 73 15.772 2.490 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 73 14.606 1.684 -13.626 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.505 -0.594 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.807 0.595 -13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.432 0.003 -11.865 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.387 0.066 -12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.249 0.677 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.131 1.741 -11.666 1.00 0.00 H new ATOM 1148 N GLU A 74 13.888 3.910 -14.456 1.00 0.00 N ATOM 1149 CA GLU A 74 13.716 4.172 -15.878 1.00 0.00 C ATOM 1150 C GLU A 74 13.492 5.669 -16.092 1.00 0.00 C ATOM 1151 O GLU A 74 12.774 6.306 -15.320 1.00 0.00 O ATOM 1152 CB GLU A 74 12.538 3.350 -16.413 1.00 0.00 C ATOM 1153 CG GLU A 74 12.710 2.855 -17.843 1.00 0.00 C ATOM 1154 CD GLU A 74 12.523 3.943 -18.875 1.00 0.00 C ATOM 1155 OE1 GLU A 74 11.359 4.254 -19.201 1.00 0.00 O ATOM 1156 OE2 GLU A 74 13.536 4.491 -19.361 1.00 0.00 O ATOM 0 H GLU A 74 13.105 3.425 -14.018 1.00 0.00 H new ATOM 0 HA GLU A 74 14.611 3.877 -16.426 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.385 2.490 -15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.634 3.956 -16.358 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.705 2.424 -17.955 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.994 2.056 -18.033 1.00 0.00 H new ATOM 1163 N HIS A 75 14.123 6.217 -17.131 1.00 0.00 N ATOM 1164 CA HIS A 75 14.115 7.661 -17.406 1.00 0.00 C ATOM 1165 C HIS A 75 14.953 8.434 -16.389 1.00 0.00 C ATOM 1166 O HIS A 75 14.949 9.663 -16.375 1.00 0.00 O ATOM 1167 CB HIS A 75 12.691 8.229 -17.462 1.00 0.00 C ATOM 1168 CG HIS A 75 12.013 8.019 -18.780 1.00 0.00 C ATOM 1169 ND1 HIS A 75 11.090 7.025 -19.005 1.00 0.00 N ATOM 1170 CD2 HIS A 75 12.125 8.694 -19.948 1.00 0.00 C ATOM 1171 CE1 HIS A 75 10.664 7.099 -20.251 1.00 0.00 C ATOM 1172 NE2 HIS A 75 11.276 8.103 -20.850 1.00 0.00 N ATOM 0 H HIS A 75 14.657 5.674 -17.810 1.00 0.00 H new ATOM 0 HA HIS A 75 14.566 7.789 -18.390 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.093 7.766 -16.677 1.00 0.00 H new ATOM 0 HB3 HIS A 75 12.726 9.297 -17.247 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.783 6.338 -18.316 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.766 9.543 -20.136 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.934 6.446 -20.706 1.00 0.00 H new ATOM 1181 N HIS A 76 15.671 7.710 -15.543 1.00 0.00 N ATOM 1182 CA HIS A 76 16.635 8.312 -14.630 1.00 0.00 C ATOM 1183 C HIS A 76 17.981 7.638 -14.824 1.00 0.00 C ATOM 1184 O HIS A 76 18.028 6.496 -15.280 1.00 0.00 O ATOM 1185 CB HIS A 76 16.191 8.180 -13.168 1.00 0.00 C ATOM 1186 CG HIS A 76 15.044 9.066 -12.795 1.00 0.00 C ATOM 1187 ND1 HIS A 76 14.026 8.668 -11.957 1.00 0.00 N ATOM 1188 CD2 HIS A 76 14.768 10.348 -13.134 1.00 0.00 C ATOM 1189 CE1 HIS A 76 13.174 9.663 -11.798 1.00 0.00 C ATOM 1190 NE2 HIS A 76 13.601 10.695 -12.501 1.00 0.00 N ATOM 0 H HIS A 76 15.604 6.695 -15.469 1.00 0.00 H new ATOM 0 HA HIS A 76 16.707 9.376 -14.855 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.913 7.144 -12.976 1.00 0.00 H new ATOM 0 HB3 HIS A 76 17.038 8.408 -12.520 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.943 7.747 -11.526 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.357 10.980 -13.782 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.279 9.637 -11.195 1.00 0.00 H new ATOM 1199 N HIS A 77 19.066 8.358 -14.527 1.00 0.00 N ATOM 1200 CA HIS A 77 20.435 7.837 -14.668 1.00 0.00 C ATOM 1201 C HIS A 77 20.839 7.761 -16.144 1.00 0.00 C ATOM 1202 O HIS A 77 21.982 8.042 -16.503 1.00 0.00 O ATOM 1203 CB HIS A 77 20.579 6.462 -13.989 1.00 0.00 C ATOM 1204 CG HIS A 77 21.948 5.857 -14.095 1.00 0.00 C ATOM 1205 ND1 HIS A 77 22.950 6.097 -13.183 1.00 0.00 N ATOM 1206 CD2 HIS A 77 22.473 5.004 -15.008 1.00 0.00 C ATOM 1207 CE1 HIS A 77 24.030 5.422 -13.527 1.00 0.00 C ATOM 1208 NE2 HIS A 77 23.768 4.750 -14.631 1.00 0.00 N ATOM 0 H HIS A 77 19.024 9.317 -14.182 1.00 0.00 H new ATOM 0 HA HIS A 77 21.110 8.530 -14.165 1.00 0.00 H new ATOM 0 HB2 HIS A 77 20.320 6.562 -12.935 1.00 0.00 H new ATOM 0 HB3 HIS A 77 19.857 5.775 -14.430 1.00 0.00 H new ATOM 0 HD2 HIS A 77 21.966 4.599 -15.872 1.00 0.00 H new ATOM 0 HE1 HIS A 77 24.970 5.420 -12.995 1.00 0.00 H new ATOM 0 HE2 HIS A 77 24.421 4.141 -15.124 1.00 0.00 H new ATOM 1217 N HIS A 78 19.893 7.378 -16.988 1.00 0.00 N ATOM 1218 CA HIS A 78 20.108 7.321 -18.423 1.00 0.00 C ATOM 1219 C HIS A 78 19.998 8.726 -19.007 1.00 0.00 C ATOM 1220 O HIS A 78 18.977 9.093 -19.592 1.00 0.00 O ATOM 1221 CB HIS A 78 19.077 6.392 -19.067 1.00 0.00 C ATOM 1222 CG HIS A 78 19.444 5.921 -20.439 1.00 0.00 C ATOM 1223 ND1 HIS A 78 19.160 6.631 -21.584 1.00 0.00 N ATOM 1224 CD2 HIS A 78 20.057 4.787 -20.845 1.00 0.00 C ATOM 1225 CE1 HIS A 78 19.578 5.950 -22.635 1.00 0.00 C ATOM 1226 NE2 HIS A 78 20.127 4.829 -22.212 1.00 0.00 N ATOM 0 H HIS A 78 18.956 7.099 -16.696 1.00 0.00 H new ATOM 0 HA HIS A 78 21.104 6.928 -18.628 1.00 0.00 H new ATOM 0 HB2 HIS A 78 18.936 5.524 -18.423 1.00 0.00 H new ATOM 0 HB3 HIS A 78 18.120 6.911 -19.118 1.00 0.00 H new ATOM 0 HD2 HIS A 78 20.424 3.995 -20.209 1.00 0.00 H new ATOM 0 HE1 HIS A 78 19.486 6.259 -23.666 1.00 0.00 H new ATOM 0 HE2 HIS A 78 20.538 4.109 -22.807 1.00 0.00 H new ATOM 1235 N HIS A 79 21.041 9.513 -18.812 1.00 0.00 N ATOM 1236 CA HIS A 79 21.037 10.909 -19.213 1.00 0.00 C ATOM 1237 C HIS A 79 22.428 11.322 -19.667 1.00 0.00 C ATOM 1238 O HIS A 79 23.423 10.730 -19.250 1.00 0.00 O ATOM 1239 CB HIS A 79 20.591 11.780 -18.029 1.00 0.00 C ATOM 1240 CG HIS A 79 20.389 13.231 -18.362 1.00 0.00 C ATOM 1241 ND1 HIS A 79 21.378 14.186 -18.225 1.00 0.00 N ATOM 1242 CD2 HIS A 79 19.298 13.889 -18.816 1.00 0.00 C ATOM 1243 CE1 HIS A 79 20.899 15.364 -18.581 1.00 0.00 C ATOM 1244 NE2 HIS A 79 19.641 15.212 -18.944 1.00 0.00 N ATOM 0 H HIS A 79 21.909 9.205 -18.374 1.00 0.00 H new ATOM 0 HA HIS A 79 20.342 11.045 -20.042 1.00 0.00 H new ATOM 0 HB2 HIS A 79 19.659 11.379 -17.630 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.336 11.703 -17.237 1.00 0.00 H new ATOM 0 HD2 HIS A 79 18.335 13.454 -19.037 1.00 0.00 H new ATOM 0 HE1 HIS A 79 21.446 16.295 -18.576 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.023 15.956 -19.267 1.00 0.00 H new ATOM 1253 N HIS A 80 22.496 12.314 -20.535 1.00 0.00 N ATOM 1254 CA HIS A 80 23.771 12.884 -20.932 1.00 0.00 C ATOM 1255 C HIS A 80 23.817 14.352 -20.534 1.00 0.00 C ATOM 1256 O HIS A 80 23.497 15.211 -21.375 1.00 0.00 O ATOM 1257 CB HIS A 80 23.999 12.725 -22.438 1.00 0.00 C ATOM 1258 CG HIS A 80 25.340 13.222 -22.897 1.00 0.00 C ATOM 1259 ND1 HIS A 80 25.492 14.286 -23.757 1.00 0.00 N ATOM 1260 CD2 HIS A 80 26.594 12.792 -22.608 1.00 0.00 C ATOM 1261 CE1 HIS A 80 26.777 14.491 -23.980 1.00 0.00 C ATOM 1262 NE2 HIS A 80 27.467 13.600 -23.295 1.00 0.00 N ATOM 1263 OXT HIS A 80 24.136 14.632 -19.361 1.00 0.00 O ATOM 0 H HIS A 80 21.684 12.742 -20.979 1.00 0.00 H new ATOM 0 HA HIS A 80 24.570 12.349 -20.419 1.00 0.00 H new ATOM 0 HB2 HIS A 80 23.900 11.672 -22.703 1.00 0.00 H new ATOM 0 HB3 HIS A 80 23.218 13.263 -22.975 1.00 0.00 H new ATOM 0 HD2 HIS A 80 26.856 11.969 -21.960 1.00 0.00 H new ATOM 0 HE1 HIS A 80 27.193 15.259 -24.616 1.00 0.00 H new ATOM 0 HE2 HIS A 80 28.484 13.523 -23.278 1.00 0.00 H new TER 1272 HIS A 80 ATOM 1273 N MET B 1 13.074 -19.020 21.241 1.00 0.00 N ATOM 1274 CA MET B 1 13.724 -18.664 19.960 1.00 0.00 C ATOM 1275 C MET B 1 13.717 -17.153 19.757 1.00 0.00 C ATOM 1276 O MET B 1 14.759 -16.506 19.842 1.00 0.00 O ATOM 1277 CB MET B 1 13.014 -19.357 18.791 1.00 0.00 C ATOM 1278 CG MET B 1 13.475 -18.889 17.419 1.00 0.00 C ATOM 1279 SD MET B 1 15.247 -19.086 17.171 1.00 0.00 S ATOM 1280 CE MET B 1 15.427 -18.425 15.515 1.00 0.00 C ATOM 0 H1 MET B 1 13.088 -20.053 21.362 1.00 0.00 H new ATOM 0 H2 MET B 1 13.587 -18.572 22.027 1.00 0.00 H new ATOM 0 H3 MET B 1 12.089 -18.686 21.235 1.00 0.00 H new ATOM 0 HA MET B 1 14.759 -19.005 19.994 1.00 0.00 H new ATOM 0 HB2 MET B 1 13.174 -20.432 18.869 1.00 0.00 H new ATOM 0 HB3 MET B 1 11.941 -19.187 18.879 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.941 -19.449 16.651 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.210 -17.840 17.290 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.473 -18.477 15.214 1.00 0.00 H new ATOM 0 HE2 MET B 1 14.821 -19.009 14.822 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.096 -17.387 15.500 1.00 0.00 H new ATOM 1292 N ALA B 2 12.531 -16.602 19.511 1.00 0.00 N ATOM 1293 CA ALA B 2 12.363 -15.181 19.228 1.00 0.00 C ATOM 1294 C ALA B 2 10.892 -14.882 18.996 1.00 0.00 C ATOM 1295 O ALA B 2 10.279 -14.098 19.717 1.00 0.00 O ATOM 1296 CB ALA B 2 13.179 -14.764 18.007 1.00 0.00 C ATOM 0 H ALA B 2 11.658 -17.130 19.503 1.00 0.00 H new ATOM 0 HA ALA B 2 12.723 -14.611 20.085 1.00 0.00 H new ATOM 0 HB1 ALA B 2 13.035 -13.700 17.819 1.00 0.00 H new ATOM 0 HB2 ALA B 2 14.235 -14.960 18.191 1.00 0.00 H new ATOM 0 HB3 ALA B 2 12.850 -15.334 17.138 1.00 0.00 H new ATOM 1302 N ILE B 3 10.331 -15.535 17.990 1.00 0.00 N ATOM 1303 CA ILE B 3 8.925 -15.377 17.670 1.00 0.00 C ATOM 1304 C ILE B 3 8.065 -16.311 18.518 1.00 0.00 C ATOM 1305 O ILE B 3 8.264 -17.528 18.532 1.00 0.00 O ATOM 1306 CB ILE B 3 8.647 -15.627 16.168 1.00 0.00 C ATOM 1307 CG1 ILE B 3 9.246 -16.965 15.717 1.00 0.00 C ATOM 1308 CG2 ILE B 3 9.200 -14.480 15.332 1.00 0.00 C ATOM 1309 CD1 ILE B 3 8.920 -17.329 14.284 1.00 0.00 C ATOM 0 H ILE B 3 10.832 -16.181 17.380 1.00 0.00 H new ATOM 0 HA ILE B 3 8.660 -14.344 17.897 1.00 0.00 H new ATOM 0 HB ILE B 3 7.568 -15.676 16.021 1.00 0.00 H new ATOM 0 HG12 ILE B 3 10.329 -16.926 15.835 1.00 0.00 H new ATOM 0 HG13 ILE B 3 8.883 -17.755 16.374 1.00 0.00 H new ATOM 0 HG21 ILE B 3 8.998 -14.668 14.278 1.00 0.00 H new ATOM 0 HG22 ILE B 3 8.722 -13.547 15.632 1.00 0.00 H new ATOM 0 HG23 ILE B 3 10.276 -14.403 15.487 1.00 0.00 H new ATOM 0 HD11 ILE B 3 9.378 -18.287 14.039 1.00 0.00 H new ATOM 0 HD12 ILE B 3 7.839 -17.402 14.164 1.00 0.00 H new ATOM 0 HD13 ILE B 3 9.308 -16.560 13.616 1.00 0.00 H new ATOM 1321 N GLN B 4 7.138 -15.727 19.255 1.00 0.00 N ATOM 1322 CA GLN B 4 6.182 -16.495 20.038 1.00 0.00 C ATOM 1323 C GLN B 4 5.092 -17.015 19.108 1.00 0.00 C ATOM 1324 O GLN B 4 4.775 -18.206 19.087 1.00 0.00 O ATOM 1325 CB GLN B 4 5.594 -15.611 21.141 1.00 0.00 C ATOM 1326 CG GLN B 4 6.656 -15.040 22.073 1.00 0.00 C ATOM 1327 CD GLN B 4 6.128 -13.955 22.991 1.00 0.00 C ATOM 1328 OE1 GLN B 4 4.958 -13.954 23.373 1.00 0.00 O ATOM 1329 NE2 GLN B 4 6.993 -13.016 23.346 1.00 0.00 N ATOM 0 H GLN B 4 7.025 -14.716 19.329 1.00 0.00 H new ATOM 0 HA GLN B 4 6.673 -17.344 20.513 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.039 -14.791 20.685 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.881 -16.193 21.725 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.071 -15.847 22.677 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.473 -14.635 21.476 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.954 -13.054 23.007 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.698 -12.256 23.958 1.00 0.00 H new ATOM 1338 N SER B 5 4.547 -16.102 18.325 1.00 0.00 N ATOM 1339 CA SER B 5 3.638 -16.434 17.244 1.00 0.00 C ATOM 1340 C SER B 5 4.138 -15.742 15.981 1.00 0.00 C ATOM 1341 O SER B 5 5.306 -15.348 15.920 1.00 0.00 O ATOM 1342 CB SER B 5 2.218 -15.980 17.597 1.00 0.00 C ATOM 1343 OG SER B 5 2.195 -14.609 17.976 1.00 0.00 O ATOM 0 H SER B 5 4.724 -15.102 18.422 1.00 0.00 H new ATOM 0 HA SER B 5 3.608 -17.512 17.082 1.00 0.00 H new ATOM 0 HB2 SER B 5 1.561 -16.134 16.741 1.00 0.00 H new ATOM 0 HB3 SER B 5 1.830 -16.592 18.411 1.00 0.00 H new ATOM 0 HG SER B 5 1.277 -14.345 18.194 1.00 0.00 H new ATOM 1349 N LYS B 6 3.288 -15.592 14.975 1.00 0.00 N ATOM 1350 CA LYS B 6 3.653 -14.776 13.828 1.00 0.00 C ATOM 1351 C LYS B 6 3.614 -13.310 14.217 1.00 0.00 C ATOM 1352 O LYS B 6 2.594 -12.637 14.052 1.00 0.00 O ATOM 1353 CB LYS B 6 2.746 -15.037 12.628 1.00 0.00 C ATOM 1354 CG LYS B 6 3.343 -16.017 11.638 1.00 0.00 C ATOM 1355 CD LYS B 6 2.508 -16.116 10.377 1.00 0.00 C ATOM 1356 CE LYS B 6 3.243 -16.886 9.296 1.00 0.00 C ATOM 1357 NZ LYS B 6 3.515 -18.292 9.696 1.00 0.00 N ATOM 0 H LYS B 6 2.361 -16.015 14.929 1.00 0.00 H new ATOM 0 HA LYS B 6 4.665 -15.048 13.527 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.789 -15.422 12.980 1.00 0.00 H new ATOM 0 HB3 LYS B 6 2.543 -14.094 12.120 1.00 0.00 H new ATOM 0 HG2 LYS B 6 4.355 -15.704 11.381 1.00 0.00 H new ATOM 0 HG3 LYS B 6 3.421 -17.001 12.101 1.00 0.00 H new ATOM 0 HD2 LYS B 6 1.562 -16.610 10.601 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.268 -15.116 10.016 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.652 -16.878 8.380 1.00 0.00 H new ATOM 0 HE3 LYS B 6 4.185 -16.385 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.942 -18.804 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 4.170 -18.303 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.624 -18.755 9.967 1.00 0.00 H new ATOM 1371 N TYR B 7 4.736 -12.848 14.771 1.00 0.00 N ATOM 1372 CA TYR B 7 4.862 -11.499 15.310 1.00 0.00 C ATOM 1373 C TYR B 7 3.940 -11.326 16.509 1.00 0.00 C ATOM 1374 O TYR B 7 4.324 -11.595 17.646 1.00 0.00 O ATOM 1375 CB TYR B 7 4.555 -10.434 14.246 1.00 0.00 C ATOM 1376 CG TYR B 7 5.509 -10.444 13.076 1.00 0.00 C ATOM 1377 CD1 TYR B 7 5.338 -11.332 12.020 1.00 0.00 C ATOM 1378 CD2 TYR B 7 6.582 -9.567 13.031 1.00 0.00 C ATOM 1379 CE1 TYR B 7 6.212 -11.344 10.953 1.00 0.00 C ATOM 1380 CE2 TYR B 7 7.461 -9.573 11.969 1.00 0.00 C ATOM 1381 CZ TYR B 7 7.272 -10.463 10.932 1.00 0.00 C ATOM 1382 OH TYR B 7 8.150 -10.478 9.874 1.00 0.00 O ATOM 0 H TYR B 7 5.586 -13.405 14.857 1.00 0.00 H new ATOM 0 HA TYR B 7 5.895 -11.362 15.628 1.00 0.00 H new ATOM 0 HB2 TYR B 7 3.541 -10.586 13.876 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.580 -9.450 14.714 1.00 0.00 H new ATOM 0 HD1 TYR B 7 4.508 -12.023 12.035 1.00 0.00 H new ATOM 0 HD2 TYR B 7 6.732 -8.868 13.841 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.067 -12.039 10.139 1.00 0.00 H new ATOM 0 HE2 TYR B 7 8.293 -8.885 11.949 1.00 0.00 H new ATOM 0 HH TYR B 7 7.759 -10.984 9.132 1.00 0.00 H new ATOM 1392 N SER B 8 2.716 -10.919 16.221 1.00 0.00 N ATOM 1393 CA SER B 8 1.693 -10.679 17.222 1.00 0.00 C ATOM 1394 C SER B 8 0.488 -10.065 16.534 1.00 0.00 C ATOM 1395 O SER B 8 0.604 -9.010 15.906 1.00 0.00 O ATOM 1396 CB SER B 8 2.199 -9.740 18.326 1.00 0.00 C ATOM 1397 OG SER B 8 1.158 -9.382 19.223 1.00 0.00 O ATOM 0 H SER B 8 2.400 -10.743 15.267 1.00 0.00 H new ATOM 0 HA SER B 8 1.426 -11.625 17.693 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.004 -10.226 18.877 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.618 -8.840 17.876 1.00 0.00 H new ATOM 0 HG SER B 8 1.513 -8.785 19.915 1.00 0.00 H new ATOM 1403 N ASN B 9 -0.652 -10.737 16.628 1.00 0.00 N ATOM 1404 CA ASN B 9 -1.882 -10.239 16.019 1.00 0.00 C ATOM 1405 C ASN B 9 -2.184 -8.842 16.526 1.00 0.00 C ATOM 1406 O ASN B 9 -2.480 -7.940 15.747 1.00 0.00 O ATOM 1407 CB ASN B 9 -3.069 -11.165 16.319 1.00 0.00 C ATOM 1408 CG ASN B 9 -2.932 -12.536 15.680 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -1.830 -13.066 15.540 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -4.053 -13.118 15.280 1.00 0.00 N ATOM 0 H ASN B 9 -0.752 -11.626 17.118 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.734 -10.213 14.939 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -3.167 -11.282 17.398 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -3.987 -10.696 15.965 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -4.021 -14.037 14.839 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -4.948 -12.647 15.413 1.00 0.00 H new ATOM 1417 N THR B 10 -2.062 -8.664 17.836 1.00 0.00 N ATOM 1418 CA THR B 10 -2.322 -7.381 18.464 1.00 0.00 C ATOM 1419 C THR B 10 -1.317 -6.327 18.001 1.00 0.00 C ATOM 1420 O THR B 10 -1.680 -5.171 17.792 1.00 0.00 O ATOM 1421 CB THR B 10 -2.274 -7.510 19.996 1.00 0.00 C ATOM 1422 OG1 THR B 10 -3.079 -8.625 20.406 1.00 0.00 O ATOM 1423 CG2 THR B 10 -2.781 -6.243 20.672 1.00 0.00 C ATOM 0 H THR B 10 -1.783 -9.400 18.485 1.00 0.00 H new ATOM 0 HA THR B 10 -3.320 -7.062 18.164 1.00 0.00 H new ATOM 0 HB THR B 10 -1.237 -7.666 20.295 1.00 0.00 H new ATOM 0 HG1 THR B 10 -3.048 -8.710 21.382 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.735 -6.365 21.754 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.159 -5.398 20.375 1.00 0.00 H new ATOM 0 HG23 THR B 10 -3.812 -6.058 20.371 1.00 0.00 H new ATOM 1431 N GLN B 11 -0.060 -6.731 17.820 1.00 0.00 N ATOM 1432 CA GLN B 11 0.982 -5.803 17.383 1.00 0.00 C ATOM 1433 C GLN B 11 0.664 -5.245 15.999 1.00 0.00 C ATOM 1434 O GLN B 11 0.717 -4.033 15.786 1.00 0.00 O ATOM 1435 CB GLN B 11 2.357 -6.482 17.363 1.00 0.00 C ATOM 1436 CG GLN B 11 3.492 -5.561 16.933 1.00 0.00 C ATOM 1437 CD GLN B 11 3.664 -4.363 17.851 1.00 0.00 C ATOM 1438 OE1 GLN B 11 4.408 -4.415 18.828 1.00 0.00 O ATOM 1439 NE2 GLN B 11 2.977 -3.272 17.542 1.00 0.00 N ATOM 0 H GLN B 11 0.260 -7.688 17.968 1.00 0.00 H new ATOM 0 HA GLN B 11 1.010 -4.982 18.100 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.574 -6.871 18.358 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.320 -7.337 16.688 1.00 0.00 H new ATOM 0 HG2 GLN B 11 4.423 -6.128 16.906 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.303 -5.210 15.918 1.00 0.00 H new ATOM 0 HE21 GLN B 11 2.369 -3.267 16.723 1.00 0.00 H new ATOM 0 HE22 GLN B 11 3.056 -2.438 18.123 1.00 0.00 H new ATOM 1448 N VAL B 12 0.329 -6.130 15.070 1.00 0.00 N ATOM 1449 CA VAL B 12 0.028 -5.719 13.706 1.00 0.00 C ATOM 1450 C VAL B 12 -1.300 -4.965 13.652 1.00 0.00 C ATOM 1451 O VAL B 12 -1.406 -3.917 13.017 1.00 0.00 O ATOM 1452 CB VAL B 12 -0.020 -6.933 12.749 1.00 0.00 C ATOM 1453 CG1 VAL B 12 -0.274 -6.485 11.316 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.270 -7.739 12.835 1.00 0.00 C ATOM 0 H VAL B 12 0.259 -7.134 15.235 1.00 0.00 H new ATOM 0 HA VAL B 12 0.829 -5.056 13.379 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.847 -7.573 13.058 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.303 -7.357 10.662 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.227 -5.959 11.263 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.527 -5.818 10.996 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.215 -8.588 12.154 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.113 -7.106 12.558 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.406 -8.100 13.854 1.00 0.00 H new ATOM 1464 N GLU B 13 -2.297 -5.493 14.350 1.00 0.00 N ATOM 1465 CA GLU B 13 -3.630 -4.897 14.383 1.00 0.00 C ATOM 1466 C GLU B 13 -3.592 -3.471 14.935 1.00 0.00 C ATOM 1467 O GLU B 13 -4.095 -2.538 14.306 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.562 -5.769 15.229 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.970 -5.223 15.382 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.865 -6.162 16.165 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.638 -6.331 17.382 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -7.796 -6.740 15.562 1.00 0.00 O ATOM 0 H GLU B 13 -2.207 -6.342 14.907 1.00 0.00 H new ATOM 0 HA GLU B 13 -4.007 -4.845 13.362 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.618 -6.761 14.780 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.124 -5.892 16.220 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.931 -4.257 15.885 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.401 -5.051 14.396 1.00 0.00 H new ATOM 1479 N SER B 14 -2.980 -3.303 16.102 1.00 0.00 N ATOM 1480 CA SER B 14 -2.912 -1.998 16.747 1.00 0.00 C ATOM 1481 C SER B 14 -2.039 -1.036 15.942 1.00 0.00 C ATOM 1482 O SER B 14 -2.220 0.182 16.003 1.00 0.00 O ATOM 1483 CB SER B 14 -2.375 -2.142 18.170 1.00 0.00 C ATOM 1484 OG SER B 14 -3.099 -3.133 18.883 1.00 0.00 O ATOM 0 H SER B 14 -2.524 -4.054 16.620 1.00 0.00 H new ATOM 0 HA SER B 14 -3.919 -1.584 16.791 1.00 0.00 H new ATOM 0 HB2 SER B 14 -1.318 -2.408 18.140 1.00 0.00 H new ATOM 0 HB3 SER B 14 -2.448 -1.187 18.690 1.00 0.00 H new ATOM 0 HG SER B 14 -2.767 -4.022 18.636 1.00 0.00 H new ATOM 1490 N LEU B 15 -1.093 -1.590 15.186 1.00 0.00 N ATOM 1491 CA LEU B 15 -0.257 -0.786 14.307 1.00 0.00 C ATOM 1492 C LEU B 15 -1.098 -0.229 13.166 1.00 0.00 C ATOM 1493 O LEU B 15 -1.096 0.974 12.918 1.00 0.00 O ATOM 1494 CB LEU B 15 0.908 -1.617 13.757 1.00 0.00 C ATOM 1495 CG LEU B 15 1.870 -0.867 12.829 1.00 0.00 C ATOM 1496 CD1 LEU B 15 2.525 0.297 13.556 1.00 0.00 C ATOM 1497 CD2 LEU B 15 2.927 -1.816 12.283 1.00 0.00 C ATOM 0 H LEU B 15 -0.889 -2.589 15.167 1.00 0.00 H new ATOM 0 HA LEU B 15 0.160 0.042 14.880 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.477 -2.015 14.597 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.500 -2.471 13.216 1.00 0.00 H new ATOM 0 HG LEU B 15 1.296 -0.466 11.993 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.203 0.814 12.878 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.757 0.990 13.899 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.085 -0.078 14.413 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.603 -1.269 11.626 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.493 -2.245 13.110 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.443 -2.615 11.722 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.835 -1.116 12.499 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.735 -0.726 11.416 1.00 0.00 C ATOM 1511 C ILE B 16 -3.703 0.359 11.883 1.00 0.00 C ATOM 1512 O ILE B 16 -3.923 1.353 11.189 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.532 -1.944 10.886 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.590 -2.935 10.190 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -4.641 -1.504 9.936 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -3.266 -4.220 9.762 1.00 0.00 C ATOM 0 H ILE B 16 -1.825 -2.117 12.692 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.123 -0.332 10.605 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.997 -2.441 11.737 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -2.155 -2.455 9.314 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.767 -3.175 10.864 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -5.184 -2.380 9.580 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.328 -0.840 10.461 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -4.205 -0.977 9.087 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.538 -4.870 9.278 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.677 -4.724 10.637 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -4.071 -3.992 9.063 1.00 0.00 H new ATOM 1528 N ALA B 17 -4.260 0.168 13.073 1.00 0.00 N ATOM 1529 CA ALA B 17 -5.192 1.126 13.647 1.00 0.00 C ATOM 1530 C ALA B 17 -4.531 2.486 13.867 1.00 0.00 C ATOM 1531 O ALA B 17 -5.128 3.522 13.579 1.00 0.00 O ATOM 1532 CB ALA B 17 -5.756 0.595 14.954 1.00 0.00 C ATOM 0 H ALA B 17 -4.080 -0.646 13.660 1.00 0.00 H new ATOM 0 HA ALA B 17 -6.008 1.263 12.938 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.452 1.322 15.372 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -6.279 -0.343 14.770 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.942 0.425 15.659 1.00 0.00 H new ATOM 1538 N GLU B 18 -3.293 2.478 14.354 1.00 0.00 N ATOM 1539 CA GLU B 18 -2.573 3.721 14.631 1.00 0.00 C ATOM 1540 C GLU B 18 -2.302 4.475 13.331 1.00 0.00 C ATOM 1541 O GLU B 18 -2.420 5.703 13.268 1.00 0.00 O ATOM 1542 CB GLU B 18 -1.254 3.430 15.357 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.596 4.670 15.948 1.00 0.00 C ATOM 1544 CD GLU B 18 0.755 4.384 16.576 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.826 3.567 17.519 1.00 0.00 O ATOM 1546 OE2 GLU B 18 1.754 4.990 16.147 1.00 0.00 O ATOM 0 H GLU B 18 -2.768 1.629 14.565 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.194 4.342 15.277 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -1.440 2.712 16.156 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.561 2.959 14.659 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.475 5.418 15.165 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.256 5.101 16.701 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.960 3.725 12.291 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.723 4.296 10.973 1.00 0.00 C ATOM 1555 C ILE B 19 -3.003 4.939 10.441 1.00 0.00 C ATOM 1556 O ILE B 19 -2.972 6.017 9.841 1.00 0.00 O ATOM 1557 CB ILE B 19 -1.230 3.222 9.978 1.00 0.00 C ATOM 1558 CG1 ILE B 19 -0.028 2.470 10.555 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.850 3.861 8.653 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.420 1.297 9.711 1.00 0.00 C ATOM 0 H ILE B 19 -1.840 2.713 12.337 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.947 5.055 11.072 1.00 0.00 H new ATOM 0 HB ILE B 19 -2.042 2.514 9.809 1.00 0.00 H new ATOM 0 HG12 ILE B 19 0.804 3.165 10.666 1.00 0.00 H new ATOM 0 HG13 ILE B 19 -0.280 2.112 11.553 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.505 3.091 7.963 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.719 4.364 8.229 1.00 0.00 H new ATOM 0 HG23 ILE B 19 -0.053 4.587 8.814 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.275 0.814 10.184 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.397 0.581 9.621 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.705 1.650 8.720 1.00 0.00 H new ATOM 1572 N LEU B 20 -4.131 4.274 10.685 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.436 4.789 10.281 1.00 0.00 C ATOM 1574 C LEU B 20 -5.752 6.093 10.996 1.00 0.00 C ATOM 1575 O LEU B 20 -6.308 7.016 10.398 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.536 3.774 10.588 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.477 2.477 9.786 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.566 1.524 10.257 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.613 2.764 8.294 1.00 0.00 C ATOM 0 H LEU B 20 -4.166 3.373 11.163 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.398 4.970 9.207 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.492 3.527 11.649 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.502 4.247 10.410 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.509 2.004 9.950 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -7.517 0.601 9.679 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -7.421 1.299 11.314 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.542 1.988 10.116 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.569 1.828 7.738 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.568 3.254 8.103 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.800 3.415 7.973 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.402 6.159 12.278 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.621 7.361 13.068 1.00 0.00 C ATOM 1593 C VAL B 21 -4.964 8.560 12.395 1.00 0.00 C ATOM 1594 O VAL B 21 -5.589 9.601 12.228 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.080 7.214 14.510 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.254 8.506 15.294 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.777 6.070 15.228 1.00 0.00 C ATOM 0 H VAL B 21 -4.965 5.392 12.790 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.698 7.516 13.129 1.00 0.00 H new ATOM 0 HB VAL B 21 -4.015 6.993 14.446 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -4.865 8.374 16.304 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.709 9.309 14.798 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.312 8.762 15.343 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.383 5.982 16.241 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.848 6.266 15.271 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.600 5.140 14.688 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.712 8.391 11.984 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.977 9.451 11.298 1.00 0.00 C ATOM 1609 C VAL B 22 -3.698 9.892 10.025 1.00 0.00 C ATOM 1610 O VAL B 22 -3.940 11.084 9.821 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.546 9.000 10.950 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.842 10.043 10.099 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.759 8.733 12.220 1.00 0.00 C ATOM 0 H VAL B 22 -3.183 7.529 12.114 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.924 10.298 11.982 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.607 8.077 10.373 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.167 9.702 9.866 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.397 10.192 9.173 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.790 10.984 10.646 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.251 8.415 11.962 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.711 9.644 12.817 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.251 7.948 12.795 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.022 8.926 9.172 1.00 0.00 N ATOM 1624 CA LEU B 23 -4.781 9.193 7.947 1.00 0.00 C ATOM 1625 C LEU B 23 -6.043 10.017 8.219 1.00 0.00 C ATOM 1626 O LEU B 23 -6.295 11.019 7.544 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.164 7.876 7.272 1.00 0.00 C ATOM 1628 CG LEU B 23 -3.988 7.011 6.824 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.491 5.694 6.252 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.145 7.757 5.799 1.00 0.00 C ATOM 0 H LEU B 23 -3.771 7.946 9.304 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.139 9.776 7.287 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.778 7.297 7.962 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -5.783 8.098 6.403 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.362 6.793 7.689 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.643 5.087 5.936 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.057 5.159 7.014 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.134 5.892 5.395 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.310 7.129 5.488 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.758 8.001 4.932 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -2.762 8.676 6.242 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.821 9.609 9.213 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.094 10.263 9.499 1.00 0.00 C ATOM 1644 C GLU B 24 -7.882 11.586 10.245 1.00 0.00 C ATOM 1645 O GLU B 24 -8.734 12.472 10.204 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.000 9.326 10.301 1.00 0.00 C ATOM 1647 CG GLU B 24 -10.470 9.720 10.274 1.00 0.00 C ATOM 1648 CD GLU B 24 -11.049 9.744 8.869 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.419 8.669 8.347 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -11.156 10.839 8.281 1.00 0.00 O ATOM 0 H GLU B 24 -6.595 8.831 9.833 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.581 10.493 8.551 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.898 8.314 9.910 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -8.659 9.304 11.336 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -11.040 9.020 10.885 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.586 10.705 10.726 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.737 11.724 10.913 1.00 0.00 N ATOM 1658 CA LYS B 25 -6.382 12.981 11.578 1.00 0.00 C ATOM 1659 C LYS B 25 -6.199 14.099 10.562 1.00 0.00 C ATOM 1660 O LYS B 25 -6.387 15.275 10.871 1.00 0.00 O ATOM 1661 CB LYS B 25 -5.099 12.828 12.398 1.00 0.00 C ATOM 1662 CG LYS B 25 -5.298 12.157 13.749 1.00 0.00 C ATOM 1663 CD LYS B 25 -3.973 11.938 14.463 1.00 0.00 C ATOM 1664 CE LYS B 25 -3.226 13.245 14.669 1.00 0.00 C ATOM 1665 NZ LYS B 25 -1.911 13.043 15.329 1.00 0.00 N ATOM 0 H LYS B 25 -6.041 10.985 11.009 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.203 13.236 12.249 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -4.379 12.249 11.820 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -4.662 13.814 12.556 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -5.950 12.772 14.370 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.801 11.200 13.611 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -4.153 11.465 15.428 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.355 11.253 13.883 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.076 13.731 13.705 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.834 13.918 15.274 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -1.438 13.961 15.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.054 12.603 16.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.319 12.423 14.741 1.00 0.00 H new ATOM 1679 N HIS B 26 -5.817 13.724 9.349 1.00 0.00 N ATOM 1680 CA HIS B 26 -5.680 14.686 8.264 1.00 0.00 C ATOM 1681 C HIS B 26 -6.916 14.648 7.377 1.00 0.00 C ATOM 1682 O HIS B 26 -7.049 15.445 6.447 1.00 0.00 O ATOM 1683 CB HIS B 26 -4.422 14.409 7.433 1.00 0.00 C ATOM 1684 CG HIS B 26 -3.145 14.771 8.130 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.510 15.982 7.958 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -2.378 14.069 8.999 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -1.410 16.009 8.687 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -1.308 14.862 9.328 1.00 0.00 N ATOM 0 H HIS B 26 -5.597 12.762 9.092 1.00 0.00 H new ATOM 0 HA HIS B 26 -5.582 15.680 8.700 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -4.396 13.351 7.173 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -4.485 14.966 6.498 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.573 13.071 9.364 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.712 16.831 8.748 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -0.555 14.605 9.966 1.00 0.00 H new ATOM 1697 N LYS B 27 -7.815 13.719 7.691 1.00 0.00 N ATOM 1698 CA LYS B 27 -9.058 13.525 6.949 1.00 0.00 C ATOM 1699 C LYS B 27 -8.765 13.307 5.467 1.00 0.00 C ATOM 1700 O LYS B 27 -9.110 14.130 4.618 1.00 0.00 O ATOM 1701 CB LYS B 27 -10.006 14.715 7.150 1.00 0.00 C ATOM 1702 CG LYS B 27 -11.420 14.310 7.538 1.00 0.00 C ATOM 1703 CD LYS B 27 -12.071 13.445 6.471 1.00 0.00 C ATOM 1704 CE LYS B 27 -13.454 12.979 6.892 1.00 0.00 C ATOM 1705 NZ LYS B 27 -13.423 12.178 8.145 1.00 0.00 N ATOM 0 H LYS B 27 -7.701 13.075 8.473 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.553 12.634 7.335 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -9.599 15.366 7.923 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -10.044 15.298 6.230 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -11.396 13.766 8.482 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.023 15.204 7.700 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -12.144 14.008 5.541 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.441 12.579 6.270 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.100 13.846 7.033 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.893 12.382 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.338 11.701 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.667 11.466 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.242 12.806 8.954 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.100 12.202 5.173 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.715 11.885 3.809 1.00 0.00 C ATOM 1721 C ALA B 28 -8.816 11.112 3.093 1.00 0.00 C ATOM 1722 O ALA B 28 -9.331 10.119 3.616 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.418 11.091 3.799 1.00 0.00 C ATOM 0 H ALA B 28 -7.815 11.508 5.864 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.559 12.822 3.274 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.141 10.860 2.770 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.627 11.680 4.264 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.555 10.163 4.355 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.209 11.573 1.895 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.172 10.864 1.052 1.00 0.00 C ATOM 1731 C PRO B 29 -9.598 9.548 0.528 1.00 0.00 C ATOM 1732 O PRO B 29 -8.415 9.255 0.715 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.438 11.828 -0.112 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.867 13.142 0.309 1.00 0.00 C ATOM 1735 CD PRO B 29 -8.764 12.829 1.277 1.00 0.00 C ATOM 0 HA PRO B 29 -11.075 10.600 1.603 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.968 11.473 -1.029 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.506 11.912 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.486 13.694 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.629 13.766 0.776 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.805 12.712 0.772 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.640 13.620 2.016 1.00 0.00 H new ATOM 1743 N THR B 30 -10.438 8.764 -0.132 1.00 0.00 N ATOM 1744 CA THR B 30 -10.043 7.452 -0.639 1.00 0.00 C ATOM 1745 C THR B 30 -8.894 7.558 -1.646 1.00 0.00 C ATOM 1746 O THR B 30 -7.987 6.729 -1.655 1.00 0.00 O ATOM 1747 CB THR B 30 -11.246 6.758 -1.300 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.371 6.803 -0.407 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.921 5.313 -1.650 1.00 0.00 C ATOM 0 H THR B 30 -11.406 9.014 -0.332 1.00 0.00 H new ATOM 0 HA THR B 30 -9.697 6.861 0.209 1.00 0.00 H new ATOM 0 HB THR B 30 -11.486 7.284 -2.224 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.144 6.377 -0.833 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.789 4.847 -2.116 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.080 5.287 -2.343 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.660 4.769 -0.742 1.00 0.00 H new ATOM 1757 N ASP B 31 -8.928 8.588 -2.476 1.00 0.00 N ATOM 1758 CA ASP B 31 -7.865 8.816 -3.450 1.00 0.00 C ATOM 1759 C ASP B 31 -6.548 9.140 -2.753 1.00 0.00 C ATOM 1760 O ASP B 31 -5.537 8.475 -2.979 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.247 9.944 -4.417 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.064 11.040 -3.756 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -8.584 11.649 -2.780 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -10.203 11.282 -4.213 1.00 0.00 O ATOM 0 H ASP B 31 -9.677 9.280 -2.497 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.733 7.898 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.340 10.378 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.815 9.526 -5.248 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.577 10.151 -1.900 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.394 10.591 -1.173 1.00 0.00 C ATOM 1771 C LEU B 32 -4.813 9.465 -0.313 1.00 0.00 C ATOM 1772 O LEU B 32 -3.595 9.343 -0.193 1.00 0.00 O ATOM 1773 CB LEU B 32 -5.734 11.806 -0.307 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.540 12.503 0.354 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.527 12.941 -0.692 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.013 13.699 1.164 1.00 0.00 C ATOM 0 H LEU B 32 -7.418 10.689 -1.691 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.634 10.873 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.260 12.534 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.426 11.491 0.474 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.055 11.794 1.025 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.687 13.434 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.167 12.069 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.999 13.635 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.156 14.186 1.629 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.520 14.406 0.507 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.704 13.364 1.938 1.00 0.00 H new ATOM 1788 N SER B 33 -5.677 8.642 0.276 1.00 0.00 N ATOM 1789 CA SER B 33 -5.212 7.513 1.077 1.00 0.00 C ATOM 1790 C SER B 33 -4.534 6.465 0.198 1.00 0.00 C ATOM 1791 O SER B 33 -3.459 5.973 0.535 1.00 0.00 O ATOM 1792 CB SER B 33 -6.358 6.900 1.891 1.00 0.00 C ATOM 1793 OG SER B 33 -7.531 6.761 1.114 1.00 0.00 O ATOM 0 H SER B 33 -6.691 8.733 0.215 1.00 0.00 H new ATOM 0 HA SER B 33 -4.471 7.886 1.784 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.054 5.924 2.271 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.567 7.528 2.757 1.00 0.00 H new ATOM 0 HG SER B 33 -8.036 7.600 1.131 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.139 6.147 -0.943 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.529 5.219 -1.892 1.00 0.00 C ATOM 1801 C LEU B 34 -3.177 5.744 -2.365 1.00 0.00 C ATOM 1802 O LEU B 34 -2.217 4.987 -2.496 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.446 4.986 -3.097 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.706 4.166 -2.812 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.589 4.101 -4.048 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.337 2.764 -2.353 1.00 0.00 C ATOM 0 H LEU B 34 -6.045 6.515 -1.232 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.380 4.269 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.746 5.955 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.874 4.483 -3.876 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.262 4.657 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.481 3.514 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.881 5.110 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.039 3.633 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.245 2.195 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.760 2.266 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.741 2.824 -1.442 1.00 0.00 H new ATOM 1818 N MET B 35 -3.106 7.049 -2.599 1.00 0.00 N ATOM 1819 CA MET B 35 -1.870 7.684 -3.041 1.00 0.00 C ATOM 1820 C MET B 35 -0.812 7.661 -1.942 1.00 0.00 C ATOM 1821 O MET B 35 0.304 7.195 -2.159 1.00 0.00 O ATOM 1822 CB MET B 35 -2.135 9.127 -3.475 1.00 0.00 C ATOM 1823 CG MET B 35 -2.972 9.241 -4.739 1.00 0.00 C ATOM 1824 SD MET B 35 -3.346 10.950 -5.177 1.00 0.00 S ATOM 1825 CE MET B 35 -1.698 11.616 -5.393 1.00 0.00 C ATOM 0 H MET B 35 -3.892 7.690 -2.490 1.00 0.00 H new ATOM 0 HA MET B 35 -1.493 7.117 -3.892 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.641 9.653 -2.666 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.181 9.630 -3.635 1.00 0.00 H new ATOM 0 HG2 MET B 35 -2.441 8.767 -5.565 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.904 8.693 -4.603 1.00 0.00 H new ATOM 0 HE1 MET B 35 -1.750 12.534 -5.978 1.00 0.00 H new ATOM 0 HE2 MET B 35 -1.262 11.832 -4.418 1.00 0.00 H new ATOM 0 HE3 MET B 35 -1.077 10.888 -5.915 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.174 8.153 -0.759 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.242 8.232 0.362 1.00 0.00 C ATOM 1837 C ALA B 36 0.272 6.852 0.754 1.00 0.00 C ATOM 1838 O ALA B 36 1.476 6.655 0.924 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.905 8.907 1.554 1.00 0.00 C ATOM 0 H ALA B 36 -2.109 8.504 -0.552 1.00 0.00 H new ATOM 0 HA ALA B 36 0.612 8.831 0.046 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.198 8.959 2.382 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.213 9.915 1.276 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.779 8.331 1.858 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.643 5.900 0.884 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.282 4.532 1.243 1.00 0.00 C ATOM 1847 C LEU B 37 0.520 3.883 0.123 1.00 0.00 C ATOM 1848 O LEU B 37 1.526 3.222 0.371 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.536 3.696 1.540 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.103 3.806 2.966 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -1.123 3.232 3.975 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -2.443 5.246 3.320 1.00 0.00 C ATOM 0 H LEU B 37 -1.643 6.049 0.746 1.00 0.00 H new ATOM 0 HA LEU B 37 0.331 4.570 2.143 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.317 3.988 0.837 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.305 2.649 1.343 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.025 3.226 3.001 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.541 3.318 4.978 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.940 2.182 3.747 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.184 3.783 3.924 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.841 5.287 4.334 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.543 5.858 3.258 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.189 5.626 2.622 1.00 0.00 H new ATOM 1864 N GLY B 38 0.074 4.092 -1.109 1.00 0.00 N ATOM 1865 CA GLY B 38 0.745 3.515 -2.257 1.00 0.00 C ATOM 1866 C GLY B 38 2.158 4.027 -2.422 1.00 0.00 C ATOM 1867 O GLY B 38 3.098 3.240 -2.525 1.00 0.00 O ATOM 0 H GLY B 38 -0.746 4.655 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.765 2.430 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.174 3.739 -3.158 1.00 0.00 H new ATOM 1871 N ASN B 39 2.314 5.347 -2.430 1.00 0.00 N ATOM 1872 CA ASN B 39 3.626 5.962 -2.599 1.00 0.00 C ATOM 1873 C ASN B 39 4.543 5.616 -1.433 1.00 0.00 C ATOM 1874 O ASN B 39 5.763 5.590 -1.583 1.00 0.00 O ATOM 1875 CB ASN B 39 3.514 7.484 -2.742 1.00 0.00 C ATOM 1876 CG ASN B 39 2.939 7.918 -4.081 1.00 0.00 C ATOM 1877 OD1 ASN B 39 2.312 8.973 -4.187 1.00 0.00 O ATOM 1878 ND2 ASN B 39 3.150 7.113 -5.115 1.00 0.00 N ATOM 0 H ASN B 39 1.548 6.012 -2.321 1.00 0.00 H new ATOM 0 HA ASN B 39 4.057 5.561 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN B 39 2.886 7.873 -1.941 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.501 7.928 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.788 7.360 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN B 39 3.674 6.247 -4.989 1.00 0.00 H new ATOM 1885 N CYS B 40 3.951 5.350 -0.274 1.00 0.00 N ATOM 1886 CA CYS B 40 4.716 4.917 0.884 1.00 0.00 C ATOM 1887 C CYS B 40 5.352 3.560 0.600 1.00 0.00 C ATOM 1888 O CYS B 40 6.534 3.349 0.873 1.00 0.00 O ATOM 1889 CB CYS B 40 3.818 4.841 2.123 1.00 0.00 C ATOM 1890 SG CYS B 40 4.695 4.470 3.661 1.00 0.00 S ATOM 0 H CYS B 40 2.947 5.427 -0.114 1.00 0.00 H new ATOM 0 HA CYS B 40 5.504 5.644 1.081 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.296 5.791 2.237 1.00 0.00 H new ATOM 0 HB3 CYS B 40 3.058 4.077 1.959 1.00 0.00 H new ATOM 0 HG CYS B 40 3.847 4.430 4.645 1.00 0.00 H new ATOM 1896 N VAL B 41 4.565 2.655 0.018 1.00 0.00 N ATOM 1897 CA VAL B 41 5.051 1.331 -0.361 1.00 0.00 C ATOM 1898 C VAL B 41 6.185 1.450 -1.380 1.00 0.00 C ATOM 1899 O VAL B 41 7.216 0.784 -1.259 1.00 0.00 O ATOM 1900 CB VAL B 41 3.915 0.458 -0.950 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.428 -0.919 -1.351 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.773 0.324 0.045 1.00 0.00 C ATOM 0 H VAL B 41 3.582 2.818 -0.202 1.00 0.00 H new ATOM 0 HA VAL B 41 5.424 0.848 0.542 1.00 0.00 H new ATOM 0 HB VAL B 41 3.544 0.956 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.607 -1.508 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.209 -0.811 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.836 -1.425 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.985 -0.293 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL B 41 3.140 -0.143 0.959 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.375 1.312 0.277 1.00 0.00 H new ATOM 1912 N THR B 42 5.993 2.316 -2.371 1.00 0.00 N ATOM 1913 CA THR B 42 7.010 2.562 -3.383 1.00 0.00 C ATOM 1914 C THR B 42 8.287 3.108 -2.738 1.00 0.00 C ATOM 1915 O THR B 42 9.398 2.692 -3.075 1.00 0.00 O ATOM 1916 CB THR B 42 6.503 3.565 -4.440 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.083 3.438 -4.589 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.165 3.314 -5.786 1.00 0.00 C ATOM 0 H THR B 42 5.139 2.860 -2.493 1.00 0.00 H new ATOM 0 HA THR B 42 7.229 1.613 -3.872 1.00 0.00 H new ATOM 0 HB THR B 42 6.755 4.570 -4.102 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.766 4.078 -5.260 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.792 4.033 -6.515 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.245 3.425 -5.687 1.00 0.00 H new ATOM 0 HG23 THR B 42 6.934 2.303 -6.122 1.00 0.00 H new ATOM 1926 N HIS B 43 8.112 4.021 -1.785 1.00 0.00 N ATOM 1927 CA HIS B 43 9.233 4.634 -1.077 1.00 0.00 C ATOM 1928 C HIS B 43 9.970 3.604 -0.218 1.00 0.00 C ATOM 1929 O HIS B 43 11.176 3.711 -0.003 1.00 0.00 O ATOM 1930 CB HIS B 43 8.738 5.806 -0.217 1.00 0.00 C ATOM 1931 CG HIS B 43 9.811 6.492 0.580 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.931 7.066 0.014 1.00 0.00 N ATOM 1933 CD2 HIS B 43 9.923 6.698 1.913 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.679 7.596 0.963 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.091 7.386 2.124 1.00 0.00 N ATOM 0 H HIS B 43 7.196 4.355 -1.484 1.00 0.00 H new ATOM 0 HA HIS B 43 9.938 5.016 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.260 6.540 -0.866 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.973 5.440 0.468 1.00 0.00 H new ATOM 0 HD1 HIS B 43 11.147 7.079 -0.983 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.222 6.380 2.671 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.615 8.114 0.814 1.00 0.00 H new ATOM 1944 N LEU B 44 9.245 2.611 0.275 1.00 0.00 N ATOM 1945 CA LEU B 44 9.863 1.526 1.025 1.00 0.00 C ATOM 1946 C LEU B 44 10.735 0.685 0.100 1.00 0.00 C ATOM 1947 O LEU B 44 11.846 0.302 0.458 1.00 0.00 O ATOM 1948 CB LEU B 44 8.802 0.645 1.691 1.00 0.00 C ATOM 1949 CG LEU B 44 7.959 1.333 2.768 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.913 0.374 3.315 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.846 1.854 3.892 1.00 0.00 C ATOM 0 H LEU B 44 8.233 2.533 0.171 1.00 0.00 H new ATOM 0 HA LEU B 44 10.484 1.961 1.808 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.134 0.264 0.919 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.298 -0.217 2.137 1.00 0.00 H new ATOM 0 HG LEU B 44 7.447 2.182 2.315 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.322 0.878 4.080 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.259 0.049 2.506 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.408 -0.493 3.752 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.228 2.340 4.648 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.386 1.022 4.345 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.559 2.573 3.489 1.00 0.00 H new ATOM 1963 N LEU B 45 10.229 0.430 -1.099 1.00 0.00 N ATOM 1964 CA LEU B 45 10.941 -0.376 -2.083 1.00 0.00 C ATOM 1965 C LEU B 45 12.272 0.254 -2.479 1.00 0.00 C ATOM 1966 O LEU B 45 13.312 -0.394 -2.418 1.00 0.00 O ATOM 1967 CB LEU B 45 10.075 -0.581 -3.328 1.00 0.00 C ATOM 1968 CG LEU B 45 8.903 -1.542 -3.144 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.023 -1.557 -4.381 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.416 -2.937 -2.843 1.00 0.00 C ATOM 0 H LEU B 45 9.322 0.772 -1.416 1.00 0.00 H new ATOM 0 HA LEU B 45 11.151 -1.341 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.686 0.386 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.707 -0.952 -4.135 1.00 0.00 H new ATOM 0 HG LEU B 45 8.302 -1.199 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.194 -2.248 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.632 -0.556 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.610 -1.878 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.572 -3.615 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.036 -3.283 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.009 -2.917 -1.929 1.00 0.00 H new ATOM 1982 N GLU B 46 12.238 1.520 -2.868 1.00 0.00 N ATOM 1983 CA GLU B 46 13.429 2.203 -3.371 1.00 0.00 C ATOM 1984 C GLU B 46 14.524 2.333 -2.314 1.00 0.00 C ATOM 1985 O GLU B 46 15.709 2.361 -2.646 1.00 0.00 O ATOM 1986 CB GLU B 46 13.064 3.589 -3.899 1.00 0.00 C ATOM 1987 CG GLU B 46 12.184 4.368 -2.947 1.00 0.00 C ATOM 1988 CD GLU B 46 12.105 5.845 -3.280 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.113 6.194 -4.478 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.022 6.665 -2.338 1.00 0.00 O ATOM 0 H GLU B 46 11.399 2.099 -2.846 1.00 0.00 H new ATOM 0 HA GLU B 46 13.823 1.588 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU B 46 13.978 4.153 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU B 46 12.553 3.485 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU B 46 11.180 3.945 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU B 46 12.564 4.251 -1.932 1.00 0.00 H new ATOM 1997 N ARG B 47 14.140 2.413 -1.051 1.00 0.00 N ATOM 1998 CA ARG B 47 15.103 2.690 0.006 1.00 0.00 C ATOM 1999 C ARG B 47 15.524 1.423 0.747 1.00 0.00 C ATOM 2000 O ARG B 47 16.406 1.464 1.602 1.00 0.00 O ATOM 2001 CB ARG B 47 14.523 3.710 0.987 1.00 0.00 C ATOM 2002 CG ARG B 47 14.041 4.999 0.330 1.00 0.00 C ATOM 2003 CD ARG B 47 15.182 5.867 -0.195 1.00 0.00 C ATOM 2004 NE ARG B 47 15.883 5.274 -1.338 1.00 0.00 N ATOM 2005 CZ ARG B 47 16.042 5.889 -2.513 1.00 0.00 C ATOM 2006 NH1 ARG B 47 15.449 7.054 -2.743 1.00 0.00 N ATOM 2007 NH2 ARG B 47 16.776 5.329 -3.466 1.00 0.00 N ATOM 0 H ARG B 47 13.179 2.292 -0.733 1.00 0.00 H new ATOM 0 HA ARG B 47 15.997 3.103 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG B 47 13.690 3.253 1.520 1.00 0.00 H new ATOM 0 HB3 ARG B 47 15.281 3.955 1.731 1.00 0.00 H new ATOM 0 HG2 ARG B 47 13.372 4.751 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG B 47 13.459 5.572 1.052 1.00 0.00 H new ATOM 0 HD2 ARG B 47 14.785 6.840 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG B 47 15.896 6.042 0.610 1.00 0.00 H new ATOM 0 HE ARG B 47 16.272 4.337 -1.230 1.00 0.00 H new ATOM 0 HH11 ARG B 47 14.870 7.483 -2.021 1.00 0.00 H new ATOM 0 HH12 ARG B 47 15.573 7.521 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG B 47 17.221 4.426 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG B 47 16.895 5.802 -4.362 1.00 0.00 H new ATOM 2021 N LYS B 48 14.888 0.303 0.430 1.00 0.00 N ATOM 2022 CA LYS B 48 15.235 -0.971 1.058 1.00 0.00 C ATOM 2023 C LYS B 48 15.751 -1.970 0.027 1.00 0.00 C ATOM 2024 O LYS B 48 16.697 -2.715 0.288 1.00 0.00 O ATOM 2025 CB LYS B 48 14.028 -1.583 1.785 1.00 0.00 C ATOM 2026 CG LYS B 48 13.808 -1.075 3.207 1.00 0.00 C ATOM 2027 CD LYS B 48 13.368 0.382 3.248 1.00 0.00 C ATOM 2028 CE LYS B 48 13.029 0.820 4.665 1.00 0.00 C ATOM 2029 NZ LYS B 48 14.201 0.724 5.575 1.00 0.00 N ATOM 0 H LYS B 48 14.133 0.247 -0.254 1.00 0.00 H new ATOM 0 HA LYS B 48 16.021 -0.762 1.784 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.130 -1.382 1.200 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.152 -2.665 1.817 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.054 -1.692 3.696 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.731 -1.188 3.776 1.00 0.00 H new ATOM 0 HD2 LYS B 48 14.161 1.015 2.850 1.00 0.00 H new ATOM 0 HD3 LYS B 48 12.498 0.519 2.605 1.00 0.00 H new ATOM 0 HE2 LYS B 48 12.666 1.848 4.649 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.219 0.201 5.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 13.966 1.157 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 14.449 -0.276 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 15.010 1.224 5.153 1.00 0.00 H new ATOM 2043 N VAL B 49 15.132 -1.964 -1.143 1.00 0.00 N ATOM 2044 CA VAL B 49 15.396 -2.966 -2.165 1.00 0.00 C ATOM 2045 C VAL B 49 16.130 -2.345 -3.361 1.00 0.00 C ATOM 2046 O VAL B 49 15.843 -1.206 -3.744 1.00 0.00 O ATOM 2047 CB VAL B 49 14.064 -3.604 -2.641 1.00 0.00 C ATOM 2048 CG1 VAL B 49 14.309 -4.791 -3.555 1.00 0.00 C ATOM 2049 CG2 VAL B 49 13.210 -4.015 -1.450 1.00 0.00 C ATOM 0 H VAL B 49 14.436 -1.268 -1.411 1.00 0.00 H new ATOM 0 HA VAL B 49 16.031 -3.738 -1.731 1.00 0.00 H new ATOM 0 HB VAL B 49 13.524 -2.850 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL B 49 13.354 -5.212 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.867 -4.465 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.882 -5.549 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL B 49 12.281 -4.460 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.753 -4.742 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.984 -3.137 -0.844 1.00 0.00 H new ATOM 2059 N PRO B 50 17.112 -3.069 -3.939 1.00 0.00 N ATOM 2060 CA PRO B 50 17.815 -2.639 -5.160 1.00 0.00 C ATOM 2061 C PRO B 50 16.853 -2.267 -6.290 1.00 0.00 C ATOM 2062 O PRO B 50 15.740 -2.790 -6.363 1.00 0.00 O ATOM 2063 CB PRO B 50 18.643 -3.867 -5.541 1.00 0.00 C ATOM 2064 CG PRO B 50 18.878 -4.574 -4.254 1.00 0.00 C ATOM 2065 CD PRO B 50 17.640 -4.350 -3.429 1.00 0.00 C ATOM 0 HA PRO B 50 18.410 -1.741 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.110 -4.500 -6.250 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.583 -3.581 -6.014 1.00 0.00 H new ATOM 0 HG2 PRO B 50 19.051 -5.638 -4.418 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.761 -4.182 -3.748 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.921 -5.159 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.871 -4.294 -2.365 1.00 0.00 H new ATOM 2073 N SER B 51 17.309 -1.382 -7.171 1.00 0.00 N ATOM 2074 CA SER B 51 16.466 -0.778 -8.203 1.00 0.00 C ATOM 2075 C SER B 51 15.664 -1.805 -9.008 1.00 0.00 C ATOM 2076 O SER B 51 14.436 -1.726 -9.062 1.00 0.00 O ATOM 2077 CB SER B 51 17.327 0.081 -9.132 1.00 0.00 C ATOM 2078 OG SER B 51 18.000 1.093 -8.399 1.00 0.00 O ATOM 0 H SER B 51 18.277 -1.061 -7.191 1.00 0.00 H new ATOM 0 HA SER B 51 15.732 -0.155 -7.693 1.00 0.00 H new ATOM 0 HB2 SER B 51 18.054 -0.547 -9.646 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.700 0.536 -9.899 1.00 0.00 H new ATOM 0 HG SER B 51 18.547 1.631 -9.010 1.00 0.00 H new ATOM 2084 N GLU B 52 16.339 -2.766 -9.623 1.00 0.00 N ATOM 2085 CA GLU B 52 15.651 -3.751 -10.451 1.00 0.00 C ATOM 2086 C GLU B 52 14.892 -4.759 -9.596 1.00 0.00 C ATOM 2087 O GLU B 52 13.863 -5.291 -10.016 1.00 0.00 O ATOM 2088 CB GLU B 52 16.626 -4.485 -11.376 1.00 0.00 C ATOM 2089 CG GLU B 52 17.288 -3.591 -12.412 1.00 0.00 C ATOM 2090 CD GLU B 52 18.595 -3.003 -11.932 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.574 -2.049 -11.126 1.00 0.00 O ATOM 2092 OE2 GLU B 52 19.657 -3.503 -12.353 1.00 0.00 O ATOM 0 H GLU B 52 17.350 -2.886 -9.567 1.00 0.00 H new ATOM 0 HA GLU B 52 14.935 -3.205 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU B 52 17.400 -4.957 -10.770 1.00 0.00 H new ATOM 0 HB3 GLU B 52 16.092 -5.284 -11.889 1.00 0.00 H new ATOM 0 HG2 GLU B 52 17.466 -4.166 -13.320 1.00 0.00 H new ATOM 0 HG3 GLU B 52 16.606 -2.782 -12.675 1.00 0.00 H new ATOM 2099 N SER B 53 15.388 -5.001 -8.393 1.00 0.00 N ATOM 2100 CA SER B 53 14.786 -5.975 -7.497 1.00 0.00 C ATOM 2101 C SER B 53 13.451 -5.464 -6.943 1.00 0.00 C ATOM 2102 O SER B 53 12.584 -6.253 -6.567 1.00 0.00 O ATOM 2103 CB SER B 53 15.758 -6.290 -6.362 1.00 0.00 C ATOM 2104 OG SER B 53 17.059 -6.542 -6.872 1.00 0.00 O ATOM 0 H SER B 53 16.211 -4.533 -8.013 1.00 0.00 H new ATOM 0 HA SER B 53 14.580 -6.888 -8.056 1.00 0.00 H new ATOM 0 HB2 SER B 53 15.791 -5.455 -5.663 1.00 0.00 H new ATOM 0 HB3 SER B 53 15.406 -7.158 -5.805 1.00 0.00 H new ATOM 0 HG SER B 53 17.668 -6.740 -6.130 1.00 0.00 H new ATOM 2110 N ARG B 54 13.292 -4.138 -6.905 1.00 0.00 N ATOM 2111 CA ARG B 54 12.040 -3.516 -6.469 1.00 0.00 C ATOM 2112 C ARG B 54 10.867 -4.040 -7.289 1.00 0.00 C ATOM 2113 O ARG B 54 9.779 -4.256 -6.761 1.00 0.00 O ATOM 2114 CB ARG B 54 12.116 -1.992 -6.614 1.00 0.00 C ATOM 2115 CG ARG B 54 13.149 -1.325 -5.723 1.00 0.00 C ATOM 2116 CD ARG B 54 13.510 0.057 -6.239 1.00 0.00 C ATOM 2117 NE ARG B 54 14.715 0.576 -5.598 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.438 1.582 -6.084 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.046 2.212 -7.185 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.547 1.963 -5.461 1.00 0.00 N ATOM 0 H ARG B 54 14.018 -3.473 -7.172 1.00 0.00 H new ATOM 0 HA ARG B 54 11.888 -3.770 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.340 -1.749 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.136 -1.569 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.761 -1.247 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG B 54 14.045 -1.944 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.661 0.014 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.680 0.740 -6.060 1.00 0.00 H new ATOM 0 HE ARG B 54 15.020 0.142 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.190 1.925 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.601 2.983 -7.556 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.844 1.485 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.102 2.734 -5.833 1.00 0.00 H new ATOM 2134 N GLN B 55 11.110 -4.253 -8.581 1.00 0.00 N ATOM 2135 CA GLN B 55 10.076 -4.720 -9.501 1.00 0.00 C ATOM 2136 C GLN B 55 9.547 -6.085 -9.079 1.00 0.00 C ATOM 2137 O GLN B 55 8.342 -6.329 -9.107 1.00 0.00 O ATOM 2138 CB GLN B 55 10.626 -4.802 -10.925 1.00 0.00 C ATOM 2139 CG GLN B 55 11.153 -3.480 -11.458 1.00 0.00 C ATOM 2140 CD GLN B 55 11.800 -3.629 -12.818 1.00 0.00 C ATOM 2141 OE1 GLN B 55 11.150 -3.489 -13.853 1.00 0.00 O ATOM 2142 NE2 GLN B 55 13.088 -3.930 -12.822 1.00 0.00 N ATOM 0 H GLN B 55 12.021 -4.108 -9.016 1.00 0.00 H new ATOM 0 HA GLN B 55 9.256 -4.003 -9.473 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.428 -5.539 -10.952 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.839 -5.162 -11.588 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.334 -2.764 -11.524 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.879 -3.070 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN B 55 13.589 -4.037 -11.940 1.00 0.00 H new ATOM 0 HE22 GLN B 55 13.580 -4.055 -13.707 1.00 0.00 H new ATOM 2151 N ALA B 56 10.456 -6.966 -8.675 1.00 0.00 N ATOM 2152 CA ALA B 56 10.083 -8.307 -8.247 1.00 0.00 C ATOM 2153 C ALA B 56 9.216 -8.249 -6.997 1.00 0.00 C ATOM 2154 O ALA B 56 8.173 -8.898 -6.921 1.00 0.00 O ATOM 2155 CB ALA B 56 11.324 -9.150 -7.997 1.00 0.00 C ATOM 0 H ALA B 56 11.457 -6.774 -8.635 1.00 0.00 H new ATOM 0 HA ALA B 56 9.504 -8.773 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA B 56 11.027 -10.149 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.907 -9.221 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.929 -8.685 -7.218 1.00 0.00 H new ATOM 2161 N VAL B 57 9.643 -7.449 -6.024 1.00 0.00 N ATOM 2162 CA VAL B 57 8.888 -7.284 -4.788 1.00 0.00 C ATOM 2163 C VAL B 57 7.530 -6.653 -5.079 1.00 0.00 C ATOM 2164 O VAL B 57 6.525 -7.032 -4.486 1.00 0.00 O ATOM 2165 CB VAL B 57 9.640 -6.421 -3.753 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.884 -6.388 -2.431 1.00 0.00 C ATOM 2167 CG2 VAL B 57 11.056 -6.936 -3.543 1.00 0.00 C ATOM 0 H VAL B 57 10.506 -6.907 -6.068 1.00 0.00 H new ATOM 0 HA VAL B 57 8.755 -8.279 -4.362 1.00 0.00 H new ATOM 0 HB VAL B 57 9.701 -5.405 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.430 -5.775 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.892 -5.964 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.788 -7.401 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.565 -6.311 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL B 57 11.020 -7.964 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.599 -6.903 -4.487 1.00 0.00 H new ATOM 2177 N ALA B 58 7.510 -5.701 -6.007 1.00 0.00 N ATOM 2178 CA ALA B 58 6.269 -5.051 -6.418 1.00 0.00 C ATOM 2179 C ALA B 58 5.287 -6.070 -6.985 1.00 0.00 C ATOM 2180 O ALA B 58 4.098 -6.043 -6.664 1.00 0.00 O ATOM 2181 CB ALA B 58 6.553 -3.960 -7.441 1.00 0.00 C ATOM 0 H ALA B 58 8.342 -5.361 -6.490 1.00 0.00 H new ATOM 0 HA ALA B 58 5.816 -4.593 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.617 -3.486 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.215 -3.214 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.030 -4.398 -8.317 1.00 0.00 H new ATOM 2187 N GLU B 59 5.792 -6.974 -7.819 1.00 0.00 N ATOM 2188 CA GLU B 59 4.966 -8.028 -8.394 1.00 0.00 C ATOM 2189 C GLU B 59 4.424 -8.952 -7.308 1.00 0.00 C ATOM 2190 O GLU B 59 3.242 -9.298 -7.316 1.00 0.00 O ATOM 2191 CB GLU B 59 5.755 -8.841 -9.424 1.00 0.00 C ATOM 2192 CG GLU B 59 6.030 -8.094 -10.721 1.00 0.00 C ATOM 2193 CD GLU B 59 4.760 -7.692 -11.451 1.00 0.00 C ATOM 2194 OE1 GLU B 59 3.811 -8.511 -11.506 1.00 0.00 O ATOM 2195 OE2 GLU B 59 4.714 -6.567 -11.991 1.00 0.00 O ATOM 0 H GLU B 59 6.769 -6.997 -8.111 1.00 0.00 H new ATOM 0 HA GLU B 59 4.125 -7.550 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.704 -9.144 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.204 -9.753 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU B 59 6.616 -7.201 -10.503 1.00 0.00 H new ATOM 0 HG3 GLU B 59 6.636 -8.722 -11.375 1.00 0.00 H new ATOM 2202 N GLN B 60 5.285 -9.342 -6.372 1.00 0.00 N ATOM 2203 CA GLN B 60 4.872 -10.204 -5.266 1.00 0.00 C ATOM 2204 C GLN B 60 3.887 -9.481 -4.352 1.00 0.00 C ATOM 2205 O GLN B 60 2.931 -10.081 -3.859 1.00 0.00 O ATOM 2206 CB GLN B 60 6.084 -10.697 -4.466 1.00 0.00 C ATOM 2207 CG GLN B 60 6.630 -12.041 -4.936 1.00 0.00 C ATOM 2208 CD GLN B 60 7.143 -12.013 -6.362 1.00 0.00 C ATOM 2209 OE1 GLN B 60 6.389 -12.231 -7.312 1.00 0.00 O ATOM 2210 NE2 GLN B 60 8.436 -11.775 -6.523 1.00 0.00 N ATOM 0 H GLN B 60 6.270 -9.077 -6.356 1.00 0.00 H new ATOM 0 HA GLN B 60 4.371 -11.073 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.877 -9.952 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.805 -10.777 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN B 60 7.438 -12.349 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN B 60 5.845 -12.793 -4.854 1.00 0.00 H new ATOM 0 HE21 GLN B 60 9.027 -11.599 -5.711 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.841 -11.768 -7.459 1.00 0.00 H new ATOM 2219 N PHE B 61 4.113 -8.192 -4.139 1.00 0.00 N ATOM 2220 CA PHE B 61 3.205 -7.375 -3.347 1.00 0.00 C ATOM 2221 C PHE B 61 1.844 -7.303 -4.029 1.00 0.00 C ATOM 2222 O PHE B 61 0.810 -7.481 -3.390 1.00 0.00 O ATOM 2223 CB PHE B 61 3.778 -5.967 -3.151 1.00 0.00 C ATOM 2224 CG PHE B 61 2.924 -5.070 -2.296 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.995 -5.135 -0.914 1.00 0.00 C ATOM 2226 CD2 PHE B 61 2.056 -4.161 -2.877 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.214 -4.310 -0.128 1.00 0.00 C ATOM 2228 CE2 PHE B 61 1.272 -3.334 -2.097 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.351 -3.408 -0.720 1.00 0.00 C ATOM 0 H PHE B 61 4.921 -7.688 -4.505 1.00 0.00 H new ATOM 0 HA PHE B 61 3.086 -7.835 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.767 -6.048 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.911 -5.501 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.668 -5.838 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.991 -4.098 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.278 -4.370 0.948 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.598 -2.630 -2.563 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.739 -2.762 -0.107 1.00 0.00 H new ATOM 2239 N ALA B 62 1.859 -7.058 -5.334 1.00 0.00 N ATOM 2240 CA ALA B 62 0.637 -7.012 -6.125 1.00 0.00 C ATOM 2241 C ALA B 62 -0.095 -8.349 -6.069 1.00 0.00 C ATOM 2242 O ALA B 62 -1.323 -8.393 -6.039 1.00 0.00 O ATOM 2243 CB ALA B 62 0.952 -6.639 -7.566 1.00 0.00 C ATOM 0 H ALA B 62 2.711 -6.887 -5.869 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.015 -6.248 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA B 62 0.029 -6.609 -8.144 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.429 -5.659 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.625 -7.381 -7.995 1.00 0.00 H new ATOM 2249 N LYS B 63 0.675 -9.434 -6.054 1.00 0.00 N ATOM 2250 CA LYS B 63 0.118 -10.776 -5.915 1.00 0.00 C ATOM 2251 C LYS B 63 -0.625 -10.924 -4.591 1.00 0.00 C ATOM 2252 O LYS B 63 -1.771 -11.368 -4.561 1.00 0.00 O ATOM 2253 CB LYS B 63 1.230 -11.824 -6.007 1.00 0.00 C ATOM 2254 CG LYS B 63 1.694 -12.112 -7.427 1.00 0.00 C ATOM 2255 CD LYS B 63 3.030 -12.845 -7.448 1.00 0.00 C ATOM 2256 CE LYS B 63 3.020 -14.095 -6.577 1.00 0.00 C ATOM 2257 NZ LYS B 63 2.065 -15.127 -7.066 1.00 0.00 N ATOM 0 H LYS B 63 1.691 -9.409 -6.137 1.00 0.00 H new ATOM 0 HA LYS B 63 -0.591 -10.933 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS B 63 2.083 -11.486 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.879 -12.752 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS B 63 0.942 -12.712 -7.940 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.785 -11.175 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.273 -13.122 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS B 63 3.816 -12.172 -7.105 1.00 0.00 H new ATOM 0 HE2 LYS B 63 4.023 -14.520 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.759 -13.819 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.098 -15.956 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 1.102 -14.734 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 2.327 -15.413 -8.031 1.00 0.00 H new ATOM 2271 N ALA B 64 0.030 -10.537 -3.502 1.00 0.00 N ATOM 2272 CA ALA B 64 -0.565 -10.639 -2.174 1.00 0.00 C ATOM 2273 C ALA B 64 -1.730 -9.665 -2.018 1.00 0.00 C ATOM 2274 O ALA B 64 -2.729 -9.973 -1.367 1.00 0.00 O ATOM 2275 CB ALA B 64 0.487 -10.386 -1.105 1.00 0.00 C ATOM 0 H ALA B 64 0.974 -10.150 -3.512 1.00 0.00 H new ATOM 0 HA ALA B 64 -0.954 -11.650 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA B 64 0.030 -10.465 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA B 64 1.283 -11.125 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.903 -9.387 -1.233 1.00 0.00 H new ATOM 2281 N LEU B 65 -1.594 -8.494 -2.623 1.00 0.00 N ATOM 2282 CA LEU B 65 -2.630 -7.475 -2.572 1.00 0.00 C ATOM 2283 C LEU B 65 -3.886 -7.972 -3.282 1.00 0.00 C ATOM 2284 O LEU B 65 -4.993 -7.869 -2.760 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.133 -6.190 -3.233 1.00 0.00 C ATOM 2286 CG LEU B 65 -2.835 -4.905 -2.793 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.472 -4.564 -1.357 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.471 -3.757 -3.719 1.00 0.00 C ATOM 0 H LEU B 65 -0.769 -8.225 -3.159 1.00 0.00 H new ATOM 0 HA LEU B 65 -2.870 -7.268 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.067 -6.088 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.244 -6.292 -4.313 1.00 0.00 H new ATOM 0 HG LEU B 65 -3.912 -5.065 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -2.981 -3.647 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -2.780 -5.378 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -1.394 -4.423 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -2.979 -2.850 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.393 -3.598 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.779 -3.998 -4.736 1.00 0.00 H new ATOM 2300 N ALA B 66 -3.701 -8.529 -4.472 1.00 0.00 N ATOM 2301 CA ALA B 66 -4.812 -9.076 -5.237 1.00 0.00 C ATOM 2302 C ALA B 66 -5.411 -10.285 -4.527 1.00 0.00 C ATOM 2303 O ALA B 66 -6.628 -10.468 -4.515 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.359 -9.454 -6.638 1.00 0.00 C ATOM 0 H ALA B 66 -2.792 -8.613 -4.927 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.582 -8.309 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.202 -9.861 -7.196 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -3.979 -8.569 -7.149 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.570 -10.203 -6.575 1.00 0.00 H new ATOM 2310 N GLN B 67 -4.547 -11.098 -3.928 1.00 0.00 N ATOM 2311 CA GLN B 67 -4.981 -12.285 -3.202 1.00 0.00 C ATOM 2312 C GLN B 67 -5.877 -11.896 -2.030 1.00 0.00 C ATOM 2313 O GLN B 67 -6.913 -12.520 -1.799 1.00 0.00 O ATOM 2314 CB GLN B 67 -3.760 -13.085 -2.720 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.094 -14.417 -2.049 1.00 0.00 C ATOM 2316 CD GLN B 67 -4.472 -14.274 -0.584 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -3.991 -13.378 0.111 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -5.334 -15.156 -0.107 1.00 0.00 N ATOM 0 H GLN B 67 -3.537 -10.955 -3.932 1.00 0.00 H new ATOM 0 HA GLN B 67 -5.562 -12.917 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.108 -13.276 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -3.195 -12.472 -2.018 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -4.917 -14.890 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.235 -15.083 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.709 -15.883 -0.716 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -5.624 -15.109 0.870 1.00 0.00 H new ATOM 2327 N SER B 68 -5.489 -10.856 -1.302 1.00 0.00 N ATOM 2328 CA SER B 68 -6.260 -10.414 -0.150 1.00 0.00 C ATOM 2329 C SER B 68 -7.584 -9.785 -0.583 1.00 0.00 C ATOM 2330 O SER B 68 -8.606 -9.970 0.077 1.00 0.00 O ATOM 2331 CB SER B 68 -5.435 -9.453 0.713 1.00 0.00 C ATOM 2332 OG SER B 68 -4.704 -8.536 -0.083 1.00 0.00 O ATOM 0 H SER B 68 -4.650 -10.307 -1.488 1.00 0.00 H new ATOM 0 HA SER B 68 -6.500 -11.286 0.458 1.00 0.00 H new ATOM 0 HB2 SER B 68 -6.097 -8.906 1.385 1.00 0.00 H new ATOM 0 HB3 SER B 68 -4.747 -10.023 1.338 1.00 0.00 H new ATOM 0 HG SER B 68 -3.906 -8.978 -0.442 1.00 0.00 H new ATOM 2338 N VAL B 69 -7.574 -9.066 -1.704 1.00 0.00 N ATOM 2339 CA VAL B 69 -8.805 -8.517 -2.264 1.00 0.00 C ATOM 2340 C VAL B 69 -9.746 -9.643 -2.685 1.00 0.00 C ATOM 2341 O VAL B 69 -10.935 -9.631 -2.362 1.00 0.00 O ATOM 2342 CB VAL B 69 -8.531 -7.601 -3.481 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -9.833 -7.178 -4.149 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -7.738 -6.373 -3.066 1.00 0.00 C ATOM 0 H VAL B 69 -6.732 -8.852 -2.239 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.270 -7.916 -1.483 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.942 -8.172 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -9.613 -6.535 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -10.370 -8.062 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -10.449 -6.633 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.558 -5.744 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.302 -5.809 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -6.784 -6.683 -2.639 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.204 -10.633 -3.387 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.005 -11.748 -3.876 1.00 0.00 C ATOM 2356 C LYS B 70 -10.425 -12.672 -2.734 1.00 0.00 C ATOM 2357 O LYS B 70 -11.261 -13.551 -2.917 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.248 -12.536 -4.949 1.00 0.00 C ATOM 2359 CG LYS B 70 -8.992 -11.735 -6.219 1.00 0.00 C ATOM 2360 CD LYS B 70 -8.385 -12.593 -7.317 1.00 0.00 C ATOM 2361 CE LYS B 70 -8.140 -11.785 -8.583 1.00 0.00 C ATOM 2362 NZ LYS B 70 -7.661 -12.638 -9.703 1.00 0.00 N ATOM 0 H LYS B 70 -8.215 -10.685 -3.629 1.00 0.00 H new ATOM 0 HA LYS B 70 -10.907 -11.332 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.294 -12.869 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.817 -13.431 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.929 -11.304 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.323 -10.904 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.445 -13.020 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.051 -13.427 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -9.062 -11.284 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.405 -11.006 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -7.506 -12.049 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -6.768 -13.097 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.374 -13.365 -9.915 1.00 0.00 H new ATOM 2376 N SER B 71 -9.851 -12.462 -1.553 1.00 0.00 N ATOM 2377 CA SER B 71 -10.251 -13.214 -0.373 1.00 0.00 C ATOM 2378 C SER B 71 -11.585 -12.684 0.149 1.00 0.00 C ATOM 2379 O SER B 71 -12.277 -13.354 0.917 1.00 0.00 O ATOM 2380 CB SER B 71 -9.175 -13.131 0.716 1.00 0.00 C ATOM 2381 OG SER B 71 -9.503 -13.946 1.832 1.00 0.00 O ATOM 0 H SER B 71 -9.111 -11.780 -1.390 1.00 0.00 H new ATOM 0 HA SER B 71 -10.369 -14.262 -0.648 1.00 0.00 H new ATOM 0 HB2 SER B 71 -8.215 -13.443 0.305 1.00 0.00 H new ATOM 0 HB3 SER B 71 -9.062 -12.096 1.040 1.00 0.00 H new ATOM 0 HG SER B 71 -8.798 -13.873 2.509 1.00 0.00 H new ATOM 2387 N ASN B 72 -11.932 -11.474 -0.268 1.00 0.00 N ATOM 2388 CA ASN B 72 -13.227 -10.890 0.059 1.00 0.00 C ATOM 2389 C ASN B 72 -14.254 -11.359 -0.969 1.00 0.00 C ATOM 2390 O ASN B 72 -15.439 -11.490 -0.679 1.00 0.00 O ATOM 2391 CB ASN B 72 -13.123 -9.358 0.076 1.00 0.00 C ATOM 2392 CG ASN B 72 -14.340 -8.663 0.679 1.00 0.00 C ATOM 2393 OD1 ASN B 72 -15.481 -9.093 0.516 1.00 0.00 O ATOM 2394 ND2 ASN B 72 -14.095 -7.586 1.404 1.00 0.00 N ATOM 0 H ASN B 72 -11.332 -10.875 -0.836 1.00 0.00 H new ATOM 0 HA ASN B 72 -13.544 -11.214 1.050 1.00 0.00 H new ATOM 0 HB2 ASN B 72 -12.236 -9.070 0.640 1.00 0.00 H new ATOM 0 HB3 ASN B 72 -12.982 -9.002 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN B 72 -14.864 -7.085 1.849 1.00 0.00 H new ATOM 0 HD22 ASN B 72 -13.137 -7.256 1.519 1.00 0.00 H new ATOM 2401 N LEU B 73 -13.767 -11.651 -2.170 1.00 0.00 N ATOM 2402 CA LEU B 73 -14.608 -12.171 -3.245 1.00 0.00 C ATOM 2403 C LEU B 73 -14.771 -13.683 -3.116 1.00 0.00 C ATOM 2404 O LEU B 73 -15.308 -14.337 -4.011 1.00 0.00 O ATOM 2405 CB LEU B 73 -14.028 -11.816 -4.622 1.00 0.00 C ATOM 2406 CG LEU B 73 -14.294 -10.386 -5.118 1.00 0.00 C ATOM 2407 CD1 LEU B 73 -15.787 -10.086 -5.122 1.00 0.00 C ATOM 2408 CD2 LEU B 73 -13.545 -9.360 -4.279 1.00 0.00 C ATOM 0 H LEU B 73 -12.786 -11.536 -2.426 1.00 0.00 H new ATOM 0 HA LEU B 73 -15.589 -11.704 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -12.950 -11.974 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -14.432 -12.514 -5.355 1.00 0.00 H new ATOM 0 HG LEU B 73 -13.924 -10.316 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -15.953 -9.069 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -16.297 -10.788 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -16.181 -10.187 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -13.755 -8.359 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -13.869 -9.432 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -12.474 -9.553 -4.339 1.00 0.00 H new ATOM 2420 N GLU B 74 -14.281 -14.222 -2.001 1.00 0.00 N ATOM 2421 CA GLU B 74 -14.408 -15.642 -1.686 1.00 0.00 C ATOM 2422 C GLU B 74 -15.879 -16.058 -1.755 1.00 0.00 C ATOM 2423 O GLU B 74 -16.771 -15.257 -1.460 1.00 0.00 O ATOM 2424 CB GLU B 74 -13.837 -15.897 -0.282 1.00 0.00 C ATOM 2425 CG GLU B 74 -13.218 -17.276 -0.076 1.00 0.00 C ATOM 2426 CD GLU B 74 -14.235 -18.398 -0.061 1.00 0.00 C ATOM 2427 OE1 GLU B 74 -14.919 -18.580 0.970 1.00 0.00 O ATOM 2428 OE2 GLU B 74 -14.351 -19.110 -1.074 1.00 0.00 O ATOM 0 H GLU B 74 -13.784 -13.685 -1.290 1.00 0.00 H new ATOM 0 HA GLU B 74 -13.850 -16.235 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU B 74 -13.080 -15.141 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU B 74 -14.635 -15.761 0.448 1.00 0.00 H new ATOM 0 HG2 GLU B 74 -12.494 -17.463 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU B 74 -12.668 -17.282 0.865 1.00 0.00 H new ATOM 2435 N HIS B 75 -16.118 -17.303 -2.152 1.00 0.00 N ATOM 2436 CA HIS B 75 -17.472 -17.822 -2.313 1.00 0.00 C ATOM 2437 C HIS B 75 -18.274 -17.644 -1.032 1.00 0.00 C ATOM 2438 O HIS B 75 -18.076 -18.361 -0.052 1.00 0.00 O ATOM 2439 CB HIS B 75 -17.442 -19.302 -2.708 1.00 0.00 C ATOM 2440 CG HIS B 75 -17.016 -19.546 -4.123 1.00 0.00 C ATOM 2441 ND1 HIS B 75 -15.779 -20.048 -4.467 1.00 0.00 N ATOM 2442 CD2 HIS B 75 -17.684 -19.374 -5.288 1.00 0.00 C ATOM 2443 CE1 HIS B 75 -15.708 -20.175 -5.777 1.00 0.00 C ATOM 2444 NE2 HIS B 75 -16.852 -19.774 -6.299 1.00 0.00 N ATOM 0 H HIS B 75 -15.384 -17.977 -2.370 1.00 0.00 H new ATOM 0 HA HIS B 75 -17.955 -17.256 -3.110 1.00 0.00 H new ATOM 0 HB2 HIS B 75 -16.765 -19.832 -2.039 1.00 0.00 H new ATOM 0 HB3 HIS B 75 -18.435 -19.727 -2.560 1.00 0.00 H new ATOM 0 HD2 HIS B 75 -18.688 -18.992 -5.399 1.00 0.00 H new ATOM 0 HE1 HIS B 75 -14.857 -20.545 -6.330 1.00 0.00 H new ATOM 0 HE2 HIS B 75 -17.079 -19.764 -7.293 1.00 0.00 H new ATOM 2453 N HIS B 76 -19.193 -16.687 -1.056 1.00 0.00 N ATOM 2454 CA HIS B 76 -19.974 -16.336 0.125 1.00 0.00 C ATOM 2455 C HIS B 76 -21.022 -17.392 0.438 1.00 0.00 C ATOM 2456 O HIS B 76 -21.727 -17.299 1.439 1.00 0.00 O ATOM 2457 CB HIS B 76 -20.638 -14.970 -0.055 1.00 0.00 C ATOM 2458 CG HIS B 76 -19.679 -13.823 0.037 1.00 0.00 C ATOM 2459 ND1 HIS B 76 -19.263 -13.096 -1.055 1.00 0.00 N ATOM 2460 CD2 HIS B 76 -19.058 -13.274 1.108 1.00 0.00 C ATOM 2461 CE1 HIS B 76 -18.429 -12.153 -0.662 1.00 0.00 C ATOM 2462 NE2 HIS B 76 -18.289 -12.239 0.647 1.00 0.00 N ATOM 0 H HIS B 76 -19.417 -16.137 -1.885 1.00 0.00 H new ATOM 0 HA HIS B 76 -19.286 -16.287 0.969 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -21.135 -14.941 -1.025 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -21.412 -14.848 0.703 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -19.152 -13.593 2.135 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -17.943 -11.432 -1.303 1.00 0.00 H new ATOM 0 HE2 HIS B 76 -17.703 -11.633 1.222 1.00 0.00 H new ATOM 2471 N HIS B 77 -21.126 -18.398 -0.419 1.00 0.00 N ATOM 2472 CA HIS B 77 -22.032 -19.506 -0.164 1.00 0.00 C ATOM 2473 C HIS B 77 -21.351 -20.544 0.732 1.00 0.00 C ATOM 2474 O HIS B 77 -21.925 -21.587 1.038 1.00 0.00 O ATOM 2475 CB HIS B 77 -22.505 -20.140 -1.480 1.00 0.00 C ATOM 2476 CG HIS B 77 -23.698 -21.040 -1.320 1.00 0.00 C ATOM 2477 ND1 HIS B 77 -24.006 -22.047 -2.207 1.00 0.00 N ATOM 2478 CD2 HIS B 77 -24.660 -21.077 -0.368 1.00 0.00 C ATOM 2479 CE1 HIS B 77 -25.103 -22.663 -1.807 1.00 0.00 C ATOM 2480 NE2 HIS B 77 -25.517 -22.095 -0.693 1.00 0.00 N ATOM 0 H HIS B 77 -20.599 -18.469 -1.289 1.00 0.00 H new ATOM 0 HA HIS B 77 -22.912 -19.125 0.354 1.00 0.00 H new ATOM 0 HB2 HIS B 77 -22.750 -19.348 -2.188 1.00 0.00 H new ATOM 0 HB3 HIS B 77 -21.685 -20.712 -1.914 1.00 0.00 H new ATOM 0 HD2 HIS B 77 -24.737 -20.425 0.489 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -25.580 -23.492 -2.308 1.00 0.00 H new ATOM 0 HE2 HIS B 77 -26.342 -22.369 -0.159 1.00 0.00 H new ATOM 2489 N HIS B 78 -20.118 -20.252 1.146 1.00 0.00 N ATOM 2490 CA HIS B 78 -19.428 -21.081 2.129 1.00 0.00 C ATOM 2491 C HIS B 78 -20.005 -20.828 3.512 1.00 0.00 C ATOM 2492 O HIS B 78 -19.531 -19.944 4.228 1.00 0.00 O ATOM 2493 CB HIS B 78 -17.923 -20.799 2.149 1.00 0.00 C ATOM 2494 CG HIS B 78 -17.146 -21.559 1.124 1.00 0.00 C ATOM 2495 ND1 HIS B 78 -16.138 -21.000 0.370 1.00 0.00 N ATOM 2496 CD2 HIS B 78 -17.209 -22.860 0.757 1.00 0.00 C ATOM 2497 CE1 HIS B 78 -15.618 -21.923 -0.416 1.00 0.00 C ATOM 2498 NE2 HIS B 78 -16.250 -23.061 -0.201 1.00 0.00 N ATOM 0 H HIS B 78 -19.580 -19.451 0.816 1.00 0.00 H new ATOM 0 HA HIS B 78 -19.576 -22.123 1.846 1.00 0.00 H new ATOM 0 HB2 HIS B 78 -17.762 -19.732 1.994 1.00 0.00 H new ATOM 0 HB3 HIS B 78 -17.532 -21.040 3.138 1.00 0.00 H new ATOM 0 HD1 HIS B 78 -15.840 -20.025 0.413 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -17.889 -23.603 1.147 1.00 0.00 H new ATOM 0 HE1 HIS B 78 -14.811 -21.772 -1.117 1.00 0.00 H new ATOM 2507 N HIS B 79 -21.043 -21.592 3.857 1.00 0.00 N ATOM 2508 CA HIS B 79 -21.758 -21.439 5.125 1.00 0.00 C ATOM 2509 C HIS B 79 -22.530 -20.120 5.161 1.00 0.00 C ATOM 2510 O HIS B 79 -22.000 -19.064 4.826 1.00 0.00 O ATOM 2511 CB HIS B 79 -20.789 -21.529 6.314 1.00 0.00 C ATOM 2512 CG HIS B 79 -21.464 -21.467 7.648 1.00 0.00 C ATOM 2513 ND1 HIS B 79 -21.862 -22.589 8.339 1.00 0.00 N ATOM 2514 CD2 HIS B 79 -21.825 -20.409 8.410 1.00 0.00 C ATOM 2515 CE1 HIS B 79 -22.442 -22.223 9.466 1.00 0.00 C ATOM 2516 NE2 HIS B 79 -22.432 -20.905 9.534 1.00 0.00 N ATOM 0 H HIS B 79 -21.412 -22.335 3.264 1.00 0.00 H new ATOM 0 HA HIS B 79 -22.475 -22.256 5.205 1.00 0.00 H new ATOM 0 HB2 HIS B 79 -20.228 -22.461 6.244 1.00 0.00 H new ATOM 0 HB3 HIS B 79 -20.066 -20.716 6.244 1.00 0.00 H new ATOM 0 HD2 HIS B 79 -21.665 -19.367 8.176 1.00 0.00 H new ATOM 0 HE1 HIS B 79 -22.855 -22.890 10.208 1.00 0.00 H new ATOM 0 HE2 HIS B 79 -22.814 -20.347 10.298 1.00 0.00 H new ATOM 2525 N HIS B 80 -23.787 -20.177 5.571 1.00 0.00 N ATOM 2526 CA HIS B 80 -24.603 -18.976 5.641 1.00 0.00 C ATOM 2527 C HIS B 80 -24.777 -18.540 7.090 1.00 0.00 C ATOM 2528 O HIS B 80 -25.672 -19.079 7.771 1.00 0.00 O ATOM 2529 CB HIS B 80 -25.969 -19.202 4.989 1.00 0.00 C ATOM 2530 CG HIS B 80 -26.734 -17.931 4.770 1.00 0.00 C ATOM 2531 ND1 HIS B 80 -27.749 -17.501 5.598 1.00 0.00 N ATOM 2532 CD2 HIS B 80 -26.617 -16.990 3.804 1.00 0.00 C ATOM 2533 CE1 HIS B 80 -28.220 -16.353 5.152 1.00 0.00 C ATOM 2534 NE2 HIS B 80 -27.549 -16.019 4.065 1.00 0.00 N ATOM 2535 OXT HIS B 80 -24.019 -17.662 7.543 1.00 0.00 O ATOM 0 H HIS B 80 -24.261 -21.033 5.858 1.00 0.00 H new ATOM 0 HA HIS B 80 -24.091 -18.185 5.092 1.00 0.00 H new ATOM 0 HB2 HIS B 80 -25.829 -19.704 4.032 1.00 0.00 H new ATOM 0 HB3 HIS B 80 -26.558 -19.870 5.617 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -25.919 -17.002 2.980 1.00 0.00 H new ATOM 0 HE1 HIS B 80 -29.020 -15.782 5.600 1.00 0.00 H new ATOM 0 HE2 HIS B 80 -27.699 -15.176 3.510 1.00 0.00 H new TER 2544 HIS B 80