USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1094 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: B 60 HIS : no HD1:sc= -0.0372 X(o=-0.075,f=0) USER MOD Set 1.2: B 61 HIS : no HD1:sc= -0.0376 X(o=-0.075,f=-0.031) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.261 K(o=-1.6,f=-3.2) USER MOD Set 2.2: B 46 MET CE :methyl 158:sc= -1.39 (180deg=-2.36!) USER MOD Set 3.1: A 46 MET CE :methyl -169:sc= -0.489 (180deg=-1.07) USER MOD Set 3.2: B 24 HIS : no HD1:sc= -0.0608 K(o=-0.55,f=-1.1) USER MOD Set 4.1: A 47 ASN : amide:sc= 0.249 K(o=1,f=-1.9) USER MOD Set 4.2: A 49 LYS NZ :NH3+ -176:sc= 0.778 (180deg=0.331) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0862 (180deg=-0.0347) USER MOD Single : A 3 MET CE :methyl 144:sc= -0.141 (180deg=-0.731) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= 1.15 (180deg=-0.032!) USER MOD Single : A 8 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.5!) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.112) USER MOD Single : A 12 ASN : amide:sc= -0.0634 K(o=-0.063,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 2.46 (180deg=2.37) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.807) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 28 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 1.15 (180deg=0.528) USER MOD Single : A 35 SER OG : rot -82:sc= 1.26 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.19) USER MOD Single : A 43 ASN : amide:sc= 0.752 K(o=0.75,f=-0.43) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= -0.0147 (180deg=-0.101) USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00637) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -1.7! (180deg=-2.4!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.34) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.0032) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 62 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+ -179:sc= 0 (180deg=-0.00189) USER MOD Single : B 3 MET CE :methyl 151:sc= -0.245 (180deg=-1.15) USER MOD Single : B 5 GLN : amide:sc=-0.00604 X(o=-0.006,f=-0.006) USER MOD Single : B 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0857) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : B 9 LYS NZ :NH3+ 166:sc= -0.0422 (180deg=-0.247) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -171:sc= 2.27 (180deg=2.18) USER MOD Single : B 14 LYS NZ :NH3+ -175:sc= 1.04 (180deg=0.863) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 HIS : no HD1:sc= -0.155 K(o=-0.15,f=-0.71) USER MOD Single : B 30 LYS NZ :NH3+ -162:sc= 0.998 (180deg=0.441) USER MOD Single : B 35 SER OG : rot -86:sc= 1.27 USER MOD Single : B 40 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.1) USER MOD Single : B 43 ASN : amide:sc= -0.0772 K(o=-0.077,f=-0.71) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc=-0.000512 K(o=-0.00051,f=-1) USER MOD Single : B 49 LYS NZ :NH3+ -167:sc= -0.0358 (180deg=-0.219) USER MOD Single : B 51 LYS NZ :NH3+ 146:sc= -0.827 (180deg=-2.67!) USER MOD Single : B 53 HIS :FLIP no HE2:sc= -0.538 F(o=-1.6,f=-0.54) USER MOD Single : B 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0875) USER MOD Single : B 57 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : B 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=-7e-06) USER MOD Single : B 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.658 -18.232 -3.925 1.00 0.00 N ATOM 2 CA MET A 1 18.076 -17.055 -3.288 1.00 0.00 C ATOM 3 C MET A 1 17.442 -17.486 -2.001 1.00 0.00 C ATOM 4 O MET A 1 17.060 -18.649 -1.861 1.00 0.00 O ATOM 5 CB MET A 1 17.031 -16.377 -4.195 1.00 0.00 C ATOM 6 CG MET A 1 17.587 -15.843 -5.511 1.00 0.00 C ATOM 7 SD MET A 1 16.328 -15.011 -6.511 1.00 0.00 S ATOM 8 CE MET A 1 17.286 -14.568 -7.963 1.00 0.00 C ATOM 0 H1 MET A 1 19.679 -18.086 -4.057 1.00 0.00 H new ATOM 0 H2 MET A 1 18.503 -19.065 -3.322 1.00 0.00 H new ATOM 0 H3 MET A 1 18.207 -18.385 -4.850 1.00 0.00 H new ATOM 0 HA MET A 1 18.862 -16.323 -3.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.239 -17.093 -4.414 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.573 -15.553 -3.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.399 -15.146 -5.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.013 -16.667 -6.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.647 -14.046 -8.675 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.110 -13.917 -7.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.683 -15.471 -8.426 1.00 0.00 H new ATOM 20 N GLU A 2 17.340 -16.584 -1.066 1.00 0.00 N ATOM 21 CA GLU A 2 16.782 -16.884 0.218 1.00 0.00 C ATOM 22 C GLU A 2 15.557 -15.983 0.401 1.00 0.00 C ATOM 23 O GLU A 2 15.677 -14.755 0.414 1.00 0.00 O ATOM 24 CB GLU A 2 17.859 -16.617 1.290 1.00 0.00 C ATOM 25 CG GLU A 2 17.695 -17.371 2.606 1.00 0.00 C ATOM 26 CD GLU A 2 16.438 -17.051 3.344 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.406 -17.697 3.096 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.446 -16.153 4.187 1.00 0.00 O ATOM 0 H GLU A 2 17.643 -15.616 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 2 16.473 -17.926 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.832 -16.869 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.872 -15.549 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.721 -18.442 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.547 -17.147 3.248 1.00 0.00 H new ATOM 35 N MET A 3 14.392 -16.594 0.505 1.00 0.00 N ATOM 36 CA MET A 3 13.122 -15.869 0.608 1.00 0.00 C ATOM 37 C MET A 3 12.994 -15.065 1.902 1.00 0.00 C ATOM 38 O MET A 3 12.316 -14.039 1.929 1.00 0.00 O ATOM 39 CB MET A 3 11.913 -16.800 0.420 1.00 0.00 C ATOM 40 CG MET A 3 11.807 -17.933 1.435 1.00 0.00 C ATOM 41 SD MET A 3 10.336 -18.957 1.191 1.00 0.00 S ATOM 42 CE MET A 3 10.601 -19.542 -0.486 1.00 0.00 C ATOM 0 H MET A 3 14.290 -17.609 0.521 1.00 0.00 H new ATOM 0 HA MET A 3 13.127 -15.150 -0.211 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.003 -16.203 0.469 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.958 -17.231 -0.580 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.696 -18.560 1.367 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.789 -17.513 2.441 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.241 -20.567 -0.575 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.058 -18.904 -1.184 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.665 -19.510 -0.718 1.00 0.00 H new ATOM 52 N GLY A 4 13.654 -15.510 2.955 1.00 0.00 N ATOM 53 CA GLY A 4 13.617 -14.789 4.210 1.00 0.00 C ATOM 54 C GLY A 4 14.370 -13.488 4.084 1.00 0.00 C ATOM 55 O GLY A 4 13.853 -12.433 4.407 1.00 0.00 O ATOM 0 H GLY A 4 14.217 -16.360 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.583 -14.593 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.056 -15.397 5.001 1.00 0.00 H new ATOM 59 N GLN A 5 15.584 -13.575 3.567 1.00 0.00 N ATOM 60 CA GLN A 5 16.431 -12.406 3.308 1.00 0.00 C ATOM 61 C GLN A 5 15.811 -11.484 2.265 1.00 0.00 C ATOM 62 O GLN A 5 16.056 -10.270 2.259 1.00 0.00 O ATOM 63 CB GLN A 5 17.799 -12.839 2.838 1.00 0.00 C ATOM 64 CG GLN A 5 18.603 -13.572 3.877 1.00 0.00 C ATOM 65 CD GLN A 5 19.913 -14.079 3.335 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.449 -13.416 2.339 1.00 0.00 O flip ATOM 67 NE2 GLN A 5 20.433 -15.091 3.795 1.00 0.00 N flip ATOM 0 H GLN A 5 16.019 -14.461 3.311 1.00 0.00 H new ATOM 0 HA GLN A 5 16.521 -11.858 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.685 -13.480 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.356 -11.959 2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.794 -12.908 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.021 -14.411 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.991 -15.584 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.308 -15.439 3.402 1.00 0.00 H new ATOM 76 N LEU A 6 15.042 -12.062 1.379 1.00 0.00 N ATOM 77 CA LEU A 6 14.319 -11.307 0.380 1.00 0.00 C ATOM 78 C LEU A 6 13.216 -10.502 1.078 1.00 0.00 C ATOM 79 O LEU A 6 13.071 -9.303 0.856 1.00 0.00 O ATOM 80 CB LEU A 6 13.767 -12.286 -0.704 1.00 0.00 C ATOM 81 CG LEU A 6 12.975 -11.719 -1.913 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.545 -11.372 -1.550 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.686 -10.511 -2.506 1.00 0.00 C ATOM 0 H LEU A 6 14.897 -13.070 1.327 1.00 0.00 H new ATOM 0 HA LEU A 6 14.969 -10.598 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.614 -12.845 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.121 -13.004 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 6 12.935 -12.506 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.032 -10.979 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.031 -12.267 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.542 -10.620 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.113 -10.130 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.775 -9.733 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.680 -10.804 -2.844 1.00 0.00 H new ATOM 95 N LYS A 7 12.491 -11.165 1.960 1.00 0.00 N ATOM 96 CA LYS A 7 11.413 -10.541 2.714 1.00 0.00 C ATOM 97 C LYS A 7 11.998 -9.521 3.704 1.00 0.00 C ATOM 98 O LYS A 7 11.354 -8.540 4.052 1.00 0.00 O ATOM 99 CB LYS A 7 10.598 -11.629 3.429 1.00 0.00 C ATOM 100 CG LYS A 7 9.070 -11.489 3.310 1.00 0.00 C ATOM 101 CD LYS A 7 8.471 -10.353 4.144 1.00 0.00 C ATOM 102 CE LYS A 7 8.694 -10.579 5.631 1.00 0.00 C ATOM 103 NZ LYS A 7 7.892 -9.669 6.467 1.00 0.00 N ATOM 0 H LYS A 7 12.631 -12.152 2.176 1.00 0.00 H new ATOM 0 HA LYS A 7 10.743 -10.004 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.890 -12.600 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.866 -11.625 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.813 -11.329 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.607 -12.428 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.921 -9.405 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.403 -10.276 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.444 -11.610 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.751 -10.442 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.317 -9.602 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.870 -8.725 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.922 -10.036 6.548 1.00 0.00 H new ATOM 117 N ASN A 8 13.227 -9.772 4.123 1.00 0.00 N ATOM 118 CA ASN A 8 14.000 -8.863 4.978 1.00 0.00 C ATOM 119 C ASN A 8 14.210 -7.529 4.236 1.00 0.00 C ATOM 120 O ASN A 8 13.990 -6.443 4.797 1.00 0.00 O ATOM 121 CB ASN A 8 15.348 -9.550 5.348 1.00 0.00 C ATOM 122 CG ASN A 8 16.289 -8.757 6.263 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.361 -7.542 6.226 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.011 -9.452 7.092 1.00 0.00 N ATOM 0 H ASN A 8 13.731 -10.625 3.879 1.00 0.00 H new ATOM 0 HA ASN A 8 13.468 -8.645 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.125 -10.502 5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.881 -9.777 4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.654 -8.980 7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.935 -10.469 7.106 1.00 0.00 H new ATOM 131 N LYS A 9 14.589 -7.620 2.954 1.00 0.00 N ATOM 132 CA LYS A 9 14.737 -6.432 2.101 1.00 0.00 C ATOM 133 C LYS A 9 13.393 -5.753 1.917 1.00 0.00 C ATOM 134 O LYS A 9 13.307 -4.528 1.888 1.00 0.00 O ATOM 135 CB LYS A 9 15.340 -6.793 0.733 1.00 0.00 C ATOM 136 CG LYS A 9 16.805 -7.193 0.774 1.00 0.00 C ATOM 137 CD LYS A 9 17.700 -6.003 1.106 1.00 0.00 C ATOM 138 CE LYS A 9 19.170 -6.401 1.211 1.00 0.00 C ATOM 139 NZ LYS A 9 19.687 -7.022 -0.026 1.00 0.00 N ATOM 0 H LYS A 9 14.798 -8.501 2.485 1.00 0.00 H new ATOM 0 HA LYS A 9 15.423 -5.745 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.765 -7.613 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.228 -5.939 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.949 -7.977 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.096 -7.611 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.586 -5.239 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.377 -5.559 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.765 -5.518 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.294 -7.097 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.719 -7.132 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.248 -7.956 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.459 -6.416 -0.840 1.00 0.00 H new ATOM 153 N ILE A 10 12.355 -6.562 1.803 1.00 0.00 N ATOM 154 CA ILE A 10 10.992 -6.082 1.697 1.00 0.00 C ATOM 155 C ILE A 10 10.616 -5.256 2.920 1.00 0.00 C ATOM 156 O ILE A 10 10.116 -4.148 2.774 1.00 0.00 O ATOM 157 CB ILE A 10 10.006 -7.255 1.476 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.237 -7.837 0.081 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.545 -6.845 1.685 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.366 -9.006 -0.255 1.00 0.00 C ATOM 0 H ILE A 10 12.437 -7.578 1.781 1.00 0.00 H new ATOM 0 HA ILE A 10 10.924 -5.432 0.825 1.00 0.00 H new ATOM 0 HB ILE A 10 10.203 -8.020 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.072 -7.053 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.280 -8.141 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.898 -7.706 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.411 -6.483 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.285 -6.053 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.597 -9.354 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.546 -9.811 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.319 -8.706 -0.206 1.00 0.00 H new ATOM 172 N GLU A 11 10.892 -5.788 4.109 1.00 0.00 N ATOM 173 CA GLU A 11 10.661 -5.068 5.360 1.00 0.00 C ATOM 174 C GLU A 11 11.379 -3.746 5.351 1.00 0.00 C ATOM 175 O GLU A 11 10.776 -2.707 5.588 1.00 0.00 O ATOM 176 CB GLU A 11 11.138 -5.877 6.566 1.00 0.00 C ATOM 177 CG GLU A 11 10.318 -7.104 6.857 1.00 0.00 C ATOM 178 CD GLU A 11 8.886 -6.760 7.119 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.562 -6.254 8.207 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.042 -6.991 6.246 1.00 0.00 O ATOM 0 H GLU A 11 11.279 -6.723 4.233 1.00 0.00 H new ATOM 0 HA GLU A 11 9.586 -4.906 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.172 -6.178 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.130 -5.233 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.379 -7.792 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.732 -7.623 7.722 1.00 0.00 H new ATOM 187 N ASN A 12 12.652 -3.809 5.032 1.00 0.00 N ATOM 188 CA ASN A 12 13.544 -2.654 4.995 1.00 0.00 C ATOM 189 C ASN A 12 12.982 -1.575 4.061 1.00 0.00 C ATOM 190 O ASN A 12 12.829 -0.417 4.451 1.00 0.00 O ATOM 191 CB ASN A 12 14.932 -3.110 4.493 1.00 0.00 C ATOM 192 CG ASN A 12 16.057 -2.092 4.664 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.853 -0.883 4.651 1.00 0.00 O ATOM 194 ND2 ASN A 12 17.258 -2.584 4.811 1.00 0.00 N ATOM 0 H ASN A 12 13.115 -4.683 4.784 1.00 0.00 H new ATOM 0 HA ASN A 12 13.631 -2.232 5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.208 -4.023 5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.852 -3.364 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.056 -1.958 4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.398 -3.594 4.818 1.00 0.00 H new ATOM 201 N LYS A 13 12.613 -1.995 2.865 1.00 0.00 N ATOM 202 CA LYS A 13 12.144 -1.104 1.818 1.00 0.00 C ATOM 203 C LYS A 13 10.790 -0.506 2.176 1.00 0.00 C ATOM 204 O LYS A 13 10.555 0.694 1.991 1.00 0.00 O ATOM 205 CB LYS A 13 12.039 -1.884 0.518 1.00 0.00 C ATOM 206 CG LYS A 13 12.038 -1.031 -0.732 1.00 0.00 C ATOM 207 CD LYS A 13 13.308 -0.198 -0.831 1.00 0.00 C ATOM 208 CE LYS A 13 14.562 -1.045 -0.710 1.00 0.00 C ATOM 209 NZ LYS A 13 15.773 -0.226 -0.807 1.00 0.00 N ATOM 0 H LYS A 13 12.631 -2.977 2.589 1.00 0.00 H new ATOM 0 HA LYS A 13 12.854 -0.284 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.872 -2.585 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.124 -2.476 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.949 -1.669 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.168 -0.374 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.320 0.331 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.306 0.559 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.555 -1.574 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.569 -1.801 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.610 -0.844 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.742 0.337 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.828 0.411 0.014 1.00 0.00 H new ATOM 223 N LYS A 14 9.916 -1.358 2.681 1.00 0.00 N ATOM 224 CA LYS A 14 8.592 -0.990 3.158 1.00 0.00 C ATOM 225 C LYS A 14 8.737 0.109 4.201 1.00 0.00 C ATOM 226 O LYS A 14 8.096 1.143 4.136 1.00 0.00 O ATOM 227 CB LYS A 14 7.970 -2.234 3.806 1.00 0.00 C ATOM 228 CG LYS A 14 6.571 -2.077 4.360 1.00 0.00 C ATOM 229 CD LYS A 14 6.103 -3.350 5.065 1.00 0.00 C ATOM 230 CE LYS A 14 6.893 -3.611 6.330 1.00 0.00 C ATOM 231 NZ LYS A 14 6.505 -4.872 6.994 1.00 0.00 N ATOM 0 H LYS A 14 10.112 -2.355 2.774 1.00 0.00 H new ATOM 0 HA LYS A 14 7.964 -0.632 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.956 -3.034 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.623 -2.560 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.547 -1.242 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.883 -1.834 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.044 -3.263 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.206 -4.199 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.956 -3.644 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.748 -2.781 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.975 -4.936 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.474 -4.891 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.792 -5.678 6.403 1.00 0.00 H new ATOM 245 N LYS A 15 9.636 -0.132 5.116 1.00 0.00 N ATOM 246 CA LYS A 15 9.952 0.763 6.212 1.00 0.00 C ATOM 247 C LYS A 15 10.524 2.082 5.734 1.00 0.00 C ATOM 248 O LYS A 15 10.155 3.138 6.264 1.00 0.00 O ATOM 249 CB LYS A 15 10.871 0.065 7.208 1.00 0.00 C ATOM 250 CG LYS A 15 10.144 -0.925 8.113 1.00 0.00 C ATOM 251 CD LYS A 15 11.112 -1.878 8.786 1.00 0.00 C ATOM 252 CE LYS A 15 10.450 -2.651 9.913 1.00 0.00 C ATOM 253 NZ LYS A 15 11.398 -3.555 10.591 1.00 0.00 N ATOM 0 H LYS A 15 10.193 -0.987 5.125 1.00 0.00 H new ATOM 0 HA LYS A 15 9.022 1.013 6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.654 -0.461 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.363 0.817 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.581 -0.381 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.422 -1.493 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.506 -2.577 8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.960 -1.317 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.034 -1.951 10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.617 -3.231 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.907 -4.064 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.776 -4.239 9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.180 -3.000 10.993 1.00 0.00 H new ATOM 267 N GLU A 16 11.401 2.026 4.732 1.00 0.00 N ATOM 268 CA GLU A 16 11.951 3.232 4.113 1.00 0.00 C ATOM 269 C GLU A 16 10.816 4.091 3.560 1.00 0.00 C ATOM 270 O GLU A 16 10.789 5.309 3.741 1.00 0.00 O ATOM 271 CB GLU A 16 12.910 2.893 2.962 1.00 0.00 C ATOM 272 CG GLU A 16 14.222 2.250 3.336 1.00 0.00 C ATOM 273 CD GLU A 16 15.106 2.090 2.116 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.747 3.074 1.688 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.164 1.004 1.532 1.00 0.00 O ATOM 0 H GLU A 16 11.747 1.155 4.330 1.00 0.00 H new ATOM 0 HA GLU A 16 12.504 3.771 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.391 2.228 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.125 3.812 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.731 2.859 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.039 1.276 3.789 1.00 0.00 H new ATOM 282 N LEU A 17 9.877 3.430 2.908 1.00 0.00 N ATOM 283 CA LEU A 17 8.727 4.086 2.323 1.00 0.00 C ATOM 284 C LEU A 17 7.859 4.721 3.387 1.00 0.00 C ATOM 285 O LEU A 17 7.396 5.852 3.228 1.00 0.00 O ATOM 286 CB LEU A 17 7.875 3.092 1.575 1.00 0.00 C ATOM 287 CG LEU A 17 6.566 3.657 1.069 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.707 4.472 -0.153 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.498 2.636 1.009 1.00 0.00 C ATOM 0 H LEU A 17 9.893 2.419 2.770 1.00 0.00 H new ATOM 0 HA LEU A 17 9.108 4.852 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.444 2.707 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.664 2.246 2.229 1.00 0.00 H new ATOM 0 HG LEU A 17 6.231 4.374 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.729 4.844 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.369 5.314 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.127 3.861 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.579 3.092 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.800 1.833 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.326 2.230 2.006 1.00 0.00 H new ATOM 301 N ILE A 18 7.616 3.977 4.455 1.00 0.00 N ATOM 302 CA ILE A 18 6.774 4.448 5.534 1.00 0.00 C ATOM 303 C ILE A 18 7.339 5.727 6.115 1.00 0.00 C ATOM 304 O ILE A 18 6.604 6.665 6.356 1.00 0.00 O ATOM 305 CB ILE A 18 6.601 3.397 6.661 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.020 2.108 6.088 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.665 3.956 7.744 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.144 0.910 7.003 1.00 0.00 C ATOM 0 H ILE A 18 7.994 3.040 4.594 1.00 0.00 H new ATOM 0 HA ILE A 18 5.788 4.633 5.107 1.00 0.00 H new ATOM 0 HB ILE A 18 7.574 3.179 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.966 2.268 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.521 1.885 5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.543 3.217 8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.094 4.867 8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.693 4.180 7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.707 0.036 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.197 0.720 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.618 1.109 7.937 1.00 0.00 H new ATOM 320 N GLN A 19 8.654 5.761 6.299 1.00 0.00 N ATOM 321 CA GLN A 19 9.338 6.949 6.800 1.00 0.00 C ATOM 322 C GLN A 19 9.088 8.135 5.872 1.00 0.00 C ATOM 323 O GLN A 19 8.864 9.262 6.322 1.00 0.00 O ATOM 324 CB GLN A 19 10.842 6.689 6.926 1.00 0.00 C ATOM 325 CG GLN A 19 11.205 5.616 7.938 1.00 0.00 C ATOM 326 CD GLN A 19 12.698 5.353 8.018 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.431 5.516 7.041 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.165 4.954 9.175 1.00 0.00 N ATOM 0 H GLN A 19 9.273 4.973 6.107 1.00 0.00 H new ATOM 0 HA GLN A 19 8.941 7.184 7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.232 6.400 5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.338 7.619 7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.842 5.915 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.693 4.690 7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.532 4.829 9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.162 4.769 9.286 1.00 0.00 H new ATOM 337 N LEU A 20 9.068 7.860 4.584 1.00 0.00 N ATOM 338 CA LEU A 20 8.853 8.876 3.582 1.00 0.00 C ATOM 339 C LEU A 20 7.418 9.409 3.608 1.00 0.00 C ATOM 340 O LEU A 20 7.218 10.629 3.627 1.00 0.00 O ATOM 341 CB LEU A 20 9.241 8.372 2.191 1.00 0.00 C ATOM 342 CG LEU A 20 10.715 7.997 2.001 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.948 7.452 0.610 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.622 9.195 2.256 1.00 0.00 C ATOM 0 H LEU A 20 9.201 6.923 4.205 1.00 0.00 H new ATOM 0 HA LEU A 20 9.507 9.714 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.631 7.499 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.985 9.142 1.463 1.00 0.00 H new ATOM 0 HG LEU A 20 10.961 7.222 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.000 7.191 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.335 6.563 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.678 8.208 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.662 8.901 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.373 9.995 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.481 9.547 3.278 1.00 0.00 H new ATOM 356 N VAL A 21 6.405 8.524 3.615 1.00 0.00 N ATOM 357 CA VAL A 21 5.046 8.992 3.689 1.00 0.00 C ATOM 358 C VAL A 21 4.768 9.670 5.066 1.00 0.00 C ATOM 359 O VAL A 21 4.013 10.625 5.158 1.00 0.00 O ATOM 360 CB VAL A 21 4.020 7.855 3.397 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.420 6.999 2.227 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.661 7.030 4.597 1.00 0.00 C ATOM 0 H VAL A 21 6.515 7.511 3.571 1.00 0.00 H new ATOM 0 HA VAL A 21 4.915 9.742 2.909 1.00 0.00 H new ATOM 0 HB VAL A 21 3.105 8.376 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.670 6.224 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.496 7.618 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.385 6.534 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.943 6.262 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.559 6.557 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.220 7.671 5.360 1.00 0.00 H new ATOM 372 N ALA A 22 5.435 9.185 6.107 1.00 0.00 N ATOM 373 CA ALA A 22 5.272 9.678 7.467 1.00 0.00 C ATOM 374 C ALA A 22 5.771 11.103 7.621 1.00 0.00 C ATOM 375 O ALA A 22 5.065 11.969 8.166 1.00 0.00 O ATOM 376 CB ALA A 22 6.004 8.776 8.431 1.00 0.00 C ATOM 0 H ALA A 22 6.113 8.428 6.027 1.00 0.00 H new ATOM 0 HA ALA A 22 4.205 9.675 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.878 9.151 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.599 7.766 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.064 8.759 8.180 1.00 0.00 H new ATOM 382 N ARG A 23 6.975 11.357 7.127 1.00 0.00 N ATOM 383 CA ARG A 23 7.599 12.680 7.217 1.00 0.00 C ATOM 384 C ARG A 23 6.829 13.710 6.409 1.00 0.00 C ATOM 385 O ARG A 23 6.976 14.913 6.614 1.00 0.00 O ATOM 386 CB ARG A 23 9.066 12.642 6.784 1.00 0.00 C ATOM 387 CG ARG A 23 9.291 12.238 5.342 1.00 0.00 C ATOM 388 CD ARG A 23 10.763 12.106 5.031 1.00 0.00 C ATOM 389 NE ARG A 23 11.402 11.065 5.844 1.00 0.00 N ATOM 390 CZ ARG A 23 12.691 10.720 5.768 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.497 11.327 4.894 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.169 9.774 6.568 1.00 0.00 N ATOM 0 H ARG A 23 7.549 10.659 6.654 1.00 0.00 H new ATOM 0 HA ARG A 23 7.568 12.978 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.503 13.628 6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.603 11.947 7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.789 11.290 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.843 12.979 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.891 11.871 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.259 13.060 5.208 1.00 0.00 H new ATOM 0 HE ARG A 23 10.819 10.568 6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.129 12.056 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.480 11.062 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.553 9.313 7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.152 9.508 6.513 1.00 0.00 H new ATOM 406 N HIS A 24 6.019 13.222 5.485 1.00 0.00 N ATOM 407 CA HIS A 24 5.196 14.058 4.650 1.00 0.00 C ATOM 408 C HIS A 24 4.187 14.875 5.486 1.00 0.00 C ATOM 409 O HIS A 24 3.815 15.983 5.097 1.00 0.00 O ATOM 410 CB HIS A 24 4.495 13.211 3.567 1.00 0.00 C ATOM 411 CG HIS A 24 3.612 14.008 2.648 1.00 0.00 C ATOM 412 ND1 HIS A 24 4.073 14.891 1.685 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.277 14.072 2.600 1.00 0.00 C ATOM 414 CE1 HIS A 24 3.015 15.451 1.104 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.889 14.988 1.626 1.00 0.00 N ATOM 0 H HIS A 24 5.918 12.224 5.297 1.00 0.00 H new ATOM 0 HA HIS A 24 5.840 14.779 4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.252 12.699 2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.896 12.441 4.053 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.603 13.501 3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.067 16.185 0.313 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.937 15.248 1.368 1.00 0.00 H new ATOM 423 N GLY A 25 3.767 14.350 6.626 1.00 0.00 N ATOM 424 CA GLY A 25 2.846 15.111 7.446 1.00 0.00 C ATOM 425 C GLY A 25 1.923 14.272 8.288 1.00 0.00 C ATOM 426 O GLY A 25 1.048 14.804 8.956 1.00 0.00 O ATOM 0 H GLY A 25 4.037 13.437 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.419 15.767 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.246 15.751 6.799 1.00 0.00 H new ATOM 430 N LEU A 26 2.081 12.977 8.228 1.00 0.00 N ATOM 431 CA LEU A 26 1.301 12.073 9.017 1.00 0.00 C ATOM 432 C LEU A 26 1.622 12.133 10.491 1.00 0.00 C ATOM 433 O LEU A 26 2.752 12.459 10.905 1.00 0.00 O ATOM 434 CB LEU A 26 1.511 10.655 8.535 1.00 0.00 C ATOM 435 CG LEU A 26 0.731 10.226 7.308 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.054 11.025 6.076 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.895 8.763 7.059 1.00 0.00 C ATOM 0 H LEU A 26 2.763 12.519 7.623 1.00 0.00 H new ATOM 0 HA LEU A 26 0.263 12.381 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.572 10.521 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.259 9.978 9.351 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.316 10.432 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.458 10.661 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.826 12.076 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.113 10.918 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.326 8.479 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.950 8.537 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.529 8.204 7.920 1.00 0.00 H new ATOM 449 N ASP A 27 0.628 11.822 11.273 1.00 0.00 N ATOM 450 CA ASP A 27 0.785 11.676 12.709 1.00 0.00 C ATOM 451 C ASP A 27 1.246 10.266 12.932 1.00 0.00 C ATOM 452 O ASP A 27 1.027 9.421 12.059 1.00 0.00 O ATOM 453 CB ASP A 27 -0.558 11.885 13.442 1.00 0.00 C ATOM 454 CG ASP A 27 -0.429 11.780 14.950 1.00 0.00 C ATOM 455 OD1 ASP A 27 -0.120 12.785 15.601 1.00 0.00 O ATOM 456 OD2 ASP A 27 -0.605 10.668 15.505 1.00 0.00 O ATOM 0 H ASP A 27 -0.322 11.660 10.940 1.00 0.00 H new ATOM 0 HA ASP A 27 1.489 12.415 13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.959 12.865 13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.277 11.145 13.091 1.00 0.00 H new ATOM 461 N HIS A 28 1.851 9.983 14.061 1.00 0.00 N ATOM 462 CA HIS A 28 2.319 8.639 14.350 1.00 0.00 C ATOM 463 C HIS A 28 1.196 7.610 14.314 1.00 0.00 C ATOM 464 O HIS A 28 1.434 6.470 13.966 1.00 0.00 O ATOM 465 CB HIS A 28 3.122 8.564 15.645 1.00 0.00 C ATOM 466 CG HIS A 28 4.474 9.214 15.543 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.953 10.159 16.423 1.00 0.00 N ATOM 468 CD2 HIS A 28 5.469 9.003 14.646 1.00 0.00 C ATOM 469 CE1 HIS A 28 6.192 10.488 16.046 1.00 0.00 C ATOM 470 NE2 HIS A 28 6.560 9.809 14.965 1.00 0.00 N ATOM 0 H HIS A 28 2.033 10.663 14.799 1.00 0.00 H new ATOM 0 HA HIS A 28 3.005 8.380 13.544 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.556 9.042 16.444 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.249 7.519 15.926 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.423 8.317 13.813 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.813 11.211 16.554 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.452 9.866 14.473 1.00 0.00 H new ATOM 478 N ASP A 29 -0.035 8.040 14.603 1.00 0.00 N ATOM 479 CA ASP A 29 -1.226 7.165 14.503 1.00 0.00 C ATOM 480 C ASP A 29 -1.385 6.694 13.084 1.00 0.00 C ATOM 481 O ASP A 29 -1.601 5.521 12.815 1.00 0.00 O ATOM 482 CB ASP A 29 -2.470 7.954 14.914 1.00 0.00 C ATOM 483 CG ASP A 29 -3.803 7.291 14.585 1.00 0.00 C ATOM 484 OD1 ASP A 29 -4.272 6.445 15.379 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.463 7.698 13.582 1.00 0.00 O ATOM 0 H ASP A 29 -0.242 8.990 14.910 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.101 6.305 15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.428 8.133 15.988 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.438 8.929 14.427 1.00 0.00 H new ATOM 490 N LYS A 30 -1.192 7.615 12.183 1.00 0.00 N ATOM 491 CA LYS A 30 -1.317 7.354 10.778 1.00 0.00 C ATOM 492 C LYS A 30 -0.163 6.516 10.285 1.00 0.00 C ATOM 493 O LYS A 30 -0.337 5.656 9.442 1.00 0.00 O ATOM 494 CB LYS A 30 -1.422 8.665 10.010 1.00 0.00 C ATOM 495 CG LYS A 30 -2.709 9.428 10.281 1.00 0.00 C ATOM 496 CD LYS A 30 -3.926 8.619 9.859 1.00 0.00 C ATOM 497 CE LYS A 30 -5.223 9.316 10.213 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.373 9.519 11.678 1.00 0.00 N ATOM 0 H LYS A 30 -0.941 8.578 12.406 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.231 6.785 10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.573 9.297 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.350 8.458 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.777 9.666 11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.694 10.375 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.890 8.445 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.896 7.642 10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.263 10.281 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.062 8.727 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.383 9.591 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.954 8.713 12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.887 10.395 11.959 1.00 0.00 H new ATOM 512 N VAL A 31 0.993 6.738 10.858 1.00 0.00 N ATOM 513 CA VAL A 31 2.174 5.984 10.512 1.00 0.00 C ATOM 514 C VAL A 31 1.985 4.538 10.951 1.00 0.00 C ATOM 515 O VAL A 31 2.322 3.600 10.215 1.00 0.00 O ATOM 516 CB VAL A 31 3.431 6.584 11.182 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.684 5.835 10.775 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.551 8.052 10.834 1.00 0.00 C ATOM 0 H VAL A 31 1.143 7.446 11.577 1.00 0.00 H new ATOM 0 HA VAL A 31 2.319 6.028 9.433 1.00 0.00 H new ATOM 0 HB VAL A 31 3.323 6.483 12.262 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.550 6.282 11.263 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.597 4.791 11.075 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.807 5.893 9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.439 8.467 11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.633 8.164 9.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.668 8.583 11.188 1.00 0.00 H new ATOM 528 N LEU A 32 1.410 4.363 12.132 1.00 0.00 N ATOM 529 CA LEU A 32 1.120 3.048 12.645 1.00 0.00 C ATOM 530 C LEU A 32 0.108 2.357 11.768 1.00 0.00 C ATOM 531 O LEU A 32 0.362 1.292 11.265 1.00 0.00 O ATOM 532 CB LEU A 32 0.611 3.093 14.089 1.00 0.00 C ATOM 533 CG LEU A 32 1.549 3.709 15.129 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.962 3.578 16.511 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.933 3.092 15.069 1.00 0.00 C ATOM 0 H LEU A 32 1.136 5.126 12.751 1.00 0.00 H new ATOM 0 HA LEU A 32 2.054 2.486 12.640 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.325 3.651 14.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.380 2.074 14.400 1.00 0.00 H new ATOM 0 HG LEU A 32 1.655 4.768 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.642 4.021 17.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.003 4.094 16.549 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.816 2.524 16.746 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.571 3.555 15.822 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.863 2.021 15.261 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.362 3.256 14.080 1.00 0.00 H new ATOM 547 N LEU A 33 -1.010 2.998 11.538 1.00 0.00 N ATOM 548 CA LEU A 33 -2.082 2.408 10.742 1.00 0.00 C ATOM 549 C LEU A 33 -1.620 2.076 9.327 1.00 0.00 C ATOM 550 O LEU A 33 -1.919 0.991 8.813 1.00 0.00 O ATOM 551 CB LEU A 33 -3.279 3.333 10.708 1.00 0.00 C ATOM 552 CG LEU A 33 -3.895 3.658 12.061 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.927 4.734 11.911 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.505 2.419 12.705 1.00 0.00 C ATOM 0 H LEU A 33 -1.212 3.934 11.888 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.371 1.471 11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.981 4.266 10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.046 2.883 10.078 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.102 4.016 12.718 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.362 4.959 12.885 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.460 5.632 11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.711 4.395 11.233 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.936 2.685 13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.285 2.019 12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.731 1.665 12.849 1.00 0.00 H new ATOM 566 N PHE A 34 -0.868 2.989 8.723 1.00 0.00 N ATOM 567 CA PHE A 34 -0.344 2.785 7.384 1.00 0.00 C ATOM 568 C PHE A 34 0.576 1.577 7.337 1.00 0.00 C ATOM 569 O PHE A 34 0.366 0.684 6.538 1.00 0.00 O ATOM 570 CB PHE A 34 0.386 4.042 6.871 1.00 0.00 C ATOM 571 CG PHE A 34 1.035 3.870 5.522 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.280 3.881 4.362 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.404 3.688 5.420 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.879 3.713 3.132 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.005 3.522 4.195 1.00 0.00 C ATOM 576 CZ PHE A 34 2.245 3.532 3.051 1.00 0.00 C ATOM 0 H PHE A 34 -0.608 3.881 9.145 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.192 2.595 6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.326 4.866 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.149 4.327 7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.789 4.023 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.008 3.676 6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.280 3.723 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.074 3.384 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.716 3.398 2.088 1.00 0.00 H new ATOM 586 N SER A 35 1.554 1.534 8.229 1.00 0.00 N ATOM 587 CA SER A 35 2.539 0.461 8.241 1.00 0.00 C ATOM 588 C SER A 35 1.894 -0.919 8.431 1.00 0.00 C ATOM 589 O SER A 35 2.299 -1.900 7.802 1.00 0.00 O ATOM 590 CB SER A 35 3.608 0.741 9.305 1.00 0.00 C ATOM 591 OG SER A 35 3.032 1.008 10.564 1.00 0.00 O ATOM 0 H SER A 35 1.688 2.234 8.959 1.00 0.00 H new ATOM 0 HA SER A 35 3.021 0.437 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.276 -0.117 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.216 1.591 8.995 1.00 0.00 H new ATOM 0 HG SER A 35 2.749 1.945 10.602 1.00 0.00 H new ATOM 597 N ARG A 36 0.864 -0.965 9.248 1.00 0.00 N ATOM 598 CA ARG A 36 0.163 -2.203 9.548 1.00 0.00 C ATOM 599 C ARG A 36 -0.658 -2.662 8.360 1.00 0.00 C ATOM 600 O ARG A 36 -0.644 -3.838 8.003 1.00 0.00 O ATOM 601 CB ARG A 36 -0.741 -2.006 10.753 1.00 0.00 C ATOM 602 CG ARG A 36 0.011 -1.500 11.946 1.00 0.00 C ATOM 603 CD ARG A 36 -0.899 -1.145 13.093 1.00 0.00 C ATOM 604 NE ARG A 36 -1.527 -2.308 13.682 1.00 0.00 N ATOM 605 CZ ARG A 36 -1.304 -2.715 14.920 1.00 0.00 C ATOM 606 NH1 ARG A 36 -0.305 -2.180 15.631 1.00 0.00 N ATOM 607 NH2 ARG A 36 -2.016 -3.697 15.429 1.00 0.00 N ATOM 0 H ARG A 36 0.486 -0.147 9.725 1.00 0.00 H new ATOM 0 HA ARG A 36 0.904 -2.971 9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.534 -1.302 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.222 -2.952 11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.722 -2.259 12.272 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.590 -0.622 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.327 -0.619 13.857 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.669 -0.458 12.742 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.179 -2.844 13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.285 -1.458 15.218 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.133 -2.494 16.586 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.741 -4.145 14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.843 -4.010 16.384 1.00 0.00 H new ATOM 621 N ASP A 37 -1.348 -1.732 7.722 1.00 0.00 N ATOM 622 CA ASP A 37 -2.214 -2.090 6.604 1.00 0.00 C ATOM 623 C ASP A 37 -1.378 -2.371 5.367 1.00 0.00 C ATOM 624 O ASP A 37 -1.752 -3.173 4.506 1.00 0.00 O ATOM 625 CB ASP A 37 -3.250 -1.009 6.343 1.00 0.00 C ATOM 626 CG ASP A 37 -4.452 -1.544 5.586 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.336 -2.173 6.222 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.561 -1.348 4.361 1.00 0.00 O ATOM 0 H ASP A 37 -1.329 -0.738 7.951 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.758 -2.998 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.579 -0.585 7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.794 -0.200 5.773 1.00 0.00 H new ATOM 633 N LEU A 38 -0.234 -1.723 5.308 1.00 0.00 N ATOM 634 CA LEU A 38 0.755 -1.951 4.274 1.00 0.00 C ATOM 635 C LEU A 38 1.326 -3.350 4.416 1.00 0.00 C ATOM 636 O LEU A 38 1.457 -4.073 3.433 1.00 0.00 O ATOM 637 CB LEU A 38 1.858 -0.874 4.367 1.00 0.00 C ATOM 638 CG LEU A 38 3.143 -1.068 3.552 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.854 -1.305 2.091 1.00 0.00 C ATOM 640 CD2 LEU A 38 4.025 0.149 3.700 1.00 0.00 C ATOM 0 H LEU A 38 0.040 -1.012 5.987 1.00 0.00 H new ATOM 0 HA LEU A 38 0.292 -1.875 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.418 0.078 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.142 -0.780 5.415 1.00 0.00 H new ATOM 0 HG LEU A 38 3.651 -1.952 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.792 -1.437 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.243 -2.201 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.318 -0.448 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.938 0.010 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.495 1.029 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.280 0.288 4.751 1.00 0.00 H new ATOM 652 N ASP A 39 1.629 -3.731 5.648 1.00 0.00 N ATOM 653 CA ASP A 39 2.148 -5.063 5.938 1.00 0.00 C ATOM 654 C ASP A 39 1.116 -6.102 5.522 1.00 0.00 C ATOM 655 O ASP A 39 1.438 -7.058 4.829 1.00 0.00 O ATOM 656 CB ASP A 39 2.484 -5.202 7.427 1.00 0.00 C ATOM 657 CG ASP A 39 3.224 -6.481 7.747 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.458 -6.528 7.519 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.608 -7.444 8.256 1.00 0.00 O ATOM 0 H ASP A 39 1.524 -3.134 6.468 1.00 0.00 H new ATOM 0 HA ASP A 39 3.067 -5.221 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.089 -4.351 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.562 -5.167 8.007 1.00 0.00 H new ATOM 664 N LYS A 40 -0.140 -5.857 5.910 1.00 0.00 N ATOM 665 CA LYS A 40 -1.286 -6.689 5.520 1.00 0.00 C ATOM 666 C LYS A 40 -1.384 -6.834 3.993 1.00 0.00 C ATOM 667 O LYS A 40 -1.535 -7.946 3.479 1.00 0.00 O ATOM 668 CB LYS A 40 -2.588 -6.070 6.044 1.00 0.00 C ATOM 669 CG LYS A 40 -2.813 -6.178 7.552 1.00 0.00 C ATOM 670 CD LYS A 40 -3.939 -5.241 8.024 1.00 0.00 C ATOM 671 CE LYS A 40 -5.246 -5.449 7.263 1.00 0.00 C ATOM 672 NZ LYS A 40 -6.218 -4.373 7.545 1.00 0.00 N ATOM 0 H LYS A 40 -0.393 -5.070 6.508 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.137 -7.677 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.605 -5.016 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.426 -6.546 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.062 -7.207 7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.890 -5.932 8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.115 -5.401 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.617 -4.206 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.043 -5.485 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.678 -6.411 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.053 -4.491 6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.508 -4.420 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.779 -3.450 7.355 1.00 0.00 H new ATOM 686 N LEU A 41 -1.271 -5.701 3.286 1.00 0.00 N ATOM 687 CA LEU A 41 -1.378 -5.651 1.814 1.00 0.00 C ATOM 688 C LEU A 41 -0.289 -6.543 1.220 1.00 0.00 C ATOM 689 O LEU A 41 -0.554 -7.393 0.359 1.00 0.00 O ATOM 690 CB LEU A 41 -1.193 -4.176 1.327 1.00 0.00 C ATOM 691 CG LEU A 41 -1.832 -3.744 -0.023 1.00 0.00 C ATOM 692 CD1 LEU A 41 -1.569 -2.297 -0.332 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.413 -4.591 -1.174 1.00 0.00 C ATOM 0 H LEU A 41 -1.103 -4.791 3.715 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.358 -6.004 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.588 -3.521 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.122 -3.983 1.262 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.904 -3.888 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.033 -2.038 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.989 -1.674 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.494 -2.128 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.896 -4.234 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.331 -4.535 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.705 -5.625 -0.990 1.00 0.00 H new ATOM 705 N ILE A 42 0.916 -6.366 1.718 1.00 0.00 N ATOM 706 CA ILE A 42 2.053 -7.138 1.285 1.00 0.00 C ATOM 707 C ILE A 42 1.832 -8.615 1.563 1.00 0.00 C ATOM 708 O ILE A 42 1.868 -9.415 0.638 1.00 0.00 O ATOM 709 CB ILE A 42 3.376 -6.624 1.931 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.671 -5.214 1.431 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.545 -7.551 1.628 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.919 -4.593 2.001 1.00 0.00 C ATOM 0 H ILE A 42 1.132 -5.677 2.439 1.00 0.00 H new ATOM 0 HA ILE A 42 2.156 -7.010 0.208 1.00 0.00 H new ATOM 0 HB ILE A 42 3.246 -6.608 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.757 -5.239 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.822 -4.574 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.449 -7.160 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.333 -8.545 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.690 -7.613 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.048 -3.592 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.832 -4.531 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.782 -5.206 1.741 1.00 0.00 H new ATOM 724 N ASN A 43 1.519 -8.954 2.812 1.00 0.00 N ATOM 725 CA ASN A 43 1.302 -10.358 3.232 1.00 0.00 C ATOM 726 C ASN A 43 0.272 -11.044 2.357 1.00 0.00 C ATOM 727 O ASN A 43 0.400 -12.234 2.049 1.00 0.00 O ATOM 728 CB ASN A 43 0.831 -10.467 4.696 1.00 0.00 C ATOM 729 CG ASN A 43 1.837 -9.982 5.723 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.043 -10.102 5.543 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.348 -9.439 6.810 1.00 0.00 N ATOM 0 H ASN A 43 1.407 -8.276 3.566 1.00 0.00 H new ATOM 0 HA ASN A 43 2.270 -10.848 3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.090 -9.895 4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.588 -11.508 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.977 -9.101 7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.338 -9.354 6.928 1.00 0.00 H new ATOM 738 N LYS A 44 -0.731 -10.283 1.952 1.00 0.00 N ATOM 739 CA LYS A 44 -1.821 -10.765 1.122 1.00 0.00 C ATOM 740 C LYS A 44 -1.311 -11.264 -0.229 1.00 0.00 C ATOM 741 O LYS A 44 -1.619 -12.388 -0.661 1.00 0.00 O ATOM 742 CB LYS A 44 -2.821 -9.635 0.906 1.00 0.00 C ATOM 743 CG LYS A 44 -4.074 -10.027 0.144 1.00 0.00 C ATOM 744 CD LYS A 44 -4.958 -8.823 -0.127 1.00 0.00 C ATOM 745 CE LYS A 44 -5.383 -8.128 1.160 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.122 -9.022 2.081 1.00 0.00 N ATOM 0 H LYS A 44 -0.811 -9.296 2.195 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.301 -11.601 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.114 -9.238 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.324 -8.828 0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.796 -10.496 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.632 -10.769 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.424 -8.116 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.844 -9.140 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.499 -7.742 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.009 -7.270 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.473 -8.472 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.926 -9.450 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.487 -9.772 2.421 1.00 0.00 H new ATOM 760 N PHE A 45 -0.517 -10.446 -0.867 1.00 0.00 N ATOM 761 CA PHE A 45 0.011 -10.760 -2.174 1.00 0.00 C ATOM 762 C PHE A 45 1.149 -11.728 -2.107 1.00 0.00 C ATOM 763 O PHE A 45 1.241 -12.639 -2.923 1.00 0.00 O ATOM 764 CB PHE A 45 0.380 -9.492 -2.928 1.00 0.00 C ATOM 765 CG PHE A 45 -0.826 -8.837 -3.509 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.560 -7.914 -2.783 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.248 -9.176 -4.777 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.697 -7.343 -3.316 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.379 -8.608 -5.317 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.107 -7.690 -4.585 1.00 0.00 C ATOM 0 H PHE A 45 -0.216 -9.544 -0.499 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.778 -11.260 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.884 -8.799 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.085 -9.732 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.239 -7.638 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.685 -9.895 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.264 -6.626 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.697 -8.880 -6.313 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.996 -7.245 -5.007 1.00 0.00 H new ATOM 780 N MET A 46 1.952 -11.573 -1.087 1.00 0.00 N ATOM 781 CA MET A 46 3.125 -12.410 -0.865 1.00 0.00 C ATOM 782 C MET A 46 2.704 -13.818 -0.533 1.00 0.00 C ATOM 783 O MET A 46 3.469 -14.764 -0.712 1.00 0.00 O ATOM 784 CB MET A 46 3.928 -11.845 0.294 1.00 0.00 C ATOM 785 CG MET A 46 4.565 -10.514 -0.009 1.00 0.00 C ATOM 786 SD MET A 46 5.844 -10.609 -1.242 1.00 0.00 S ATOM 787 CE MET A 46 7.063 -11.510 -0.327 1.00 0.00 C ATOM 0 H MET A 46 1.817 -10.857 -0.373 1.00 0.00 H new ATOM 0 HA MET A 46 3.731 -12.423 -1.771 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.275 -11.738 1.160 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.706 -12.557 0.568 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.796 -9.820 -0.347 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.985 -10.103 0.909 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.009 -11.496 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.198 -11.049 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.734 -12.541 -0.199 1.00 0.00 H new ATOM 797 N ASN A 47 1.475 -13.935 0.008 1.00 0.00 N ATOM 798 CA ASN A 47 0.866 -15.217 0.402 1.00 0.00 C ATOM 799 C ASN A 47 1.578 -15.763 1.641 1.00 0.00 C ATOM 800 O ASN A 47 1.305 -16.861 2.117 1.00 0.00 O ATOM 801 CB ASN A 47 0.884 -16.220 -0.793 1.00 0.00 C ATOM 802 CG ASN A 47 0.245 -17.573 -0.518 1.00 0.00 C ATOM 803 OD1 ASN A 47 -0.701 -17.706 0.269 1.00 0.00 O ATOM 804 ND2 ASN A 47 0.737 -18.585 -1.177 1.00 0.00 N ATOM 0 H ASN A 47 0.872 -13.132 0.185 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.181 -15.065 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.372 -15.761 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.919 -16.380 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.342 -19.517 -1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.517 -18.445 -1.819 1.00 0.00 H new ATOM 811 N VAL A 48 2.436 -14.929 2.207 1.00 0.00 N ATOM 812 CA VAL A 48 3.235 -15.308 3.330 1.00 0.00 C ATOM 813 C VAL A 48 2.426 -15.357 4.590 1.00 0.00 C ATOM 814 O VAL A 48 1.978 -14.345 5.141 1.00 0.00 O ATOM 815 CB VAL A 48 4.537 -14.466 3.514 1.00 0.00 C ATOM 816 CG1 VAL A 48 5.477 -14.679 2.344 1.00 0.00 C ATOM 817 CG2 VAL A 48 4.243 -12.986 3.701 1.00 0.00 C ATOM 0 H VAL A 48 2.588 -13.972 1.890 1.00 0.00 H new ATOM 0 HA VAL A 48 3.581 -16.316 3.104 1.00 0.00 H new ATOM 0 HB VAL A 48 5.021 -14.815 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.379 -14.085 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.744 -15.734 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.985 -14.372 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.179 -12.442 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.716 -12.606 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.623 -12.847 4.587 1.00 0.00 H new ATOM 827 N LYS A 49 2.154 -16.527 4.963 1.00 0.00 N ATOM 828 CA LYS A 49 1.486 -16.811 6.169 1.00 0.00 C ATOM 829 C LYS A 49 2.553 -17.299 7.086 1.00 0.00 C ATOM 830 O LYS A 49 2.831 -18.489 7.163 1.00 0.00 O ATOM 831 CB LYS A 49 0.403 -17.861 5.926 1.00 0.00 C ATOM 832 CG LYS A 49 -0.620 -17.418 4.873 1.00 0.00 C ATOM 833 CD LYS A 49 -1.576 -18.533 4.471 1.00 0.00 C ATOM 834 CE LYS A 49 -0.844 -19.712 3.824 1.00 0.00 C ATOM 835 NZ LYS A 49 -0.072 -19.321 2.617 1.00 0.00 N ATOM 0 H LYS A 49 2.396 -17.357 4.422 1.00 0.00 H new ATOM 0 HA LYS A 49 0.974 -15.948 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.870 -18.792 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.113 -18.070 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.194 -16.577 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.092 -17.062 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.117 -18.881 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.318 -18.141 3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.167 -20.157 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.570 -20.479 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.346 -20.168 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.706 -18.859 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.685 -18.661 2.888 1.00 0.00 H new ATOM 849 N ASP A 50 3.225 -16.366 7.694 1.00 0.00 N ATOM 850 CA ASP A 50 4.409 -16.666 8.463 1.00 0.00 C ATOM 851 C ASP A 50 4.030 -17.198 9.843 1.00 0.00 C ATOM 852 O ASP A 50 2.843 -17.208 10.207 1.00 0.00 O ATOM 853 CB ASP A 50 5.302 -15.419 8.552 1.00 0.00 C ATOM 854 CG ASP A 50 6.739 -15.741 8.887 1.00 0.00 C ATOM 855 OD1 ASP A 50 7.083 -15.838 10.074 1.00 0.00 O ATOM 856 OD2 ASP A 50 7.554 -15.921 7.945 1.00 0.00 O ATOM 0 H ASP A 50 2.974 -15.378 7.675 1.00 0.00 H new ATOM 0 HA ASP A 50 4.978 -17.449 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.267 -14.886 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.901 -14.746 9.310 1.00 0.00 H new ATOM 861 N LYS A 51 5.014 -17.581 10.620 1.00 0.00 N ATOM 862 CA LYS A 51 4.803 -18.238 11.900 1.00 0.00 C ATOM 863 C LYS A 51 4.756 -17.248 13.055 1.00 0.00 C ATOM 864 O LYS A 51 4.760 -17.625 14.232 1.00 0.00 O ATOM 865 CB LYS A 51 5.866 -19.326 12.116 1.00 0.00 C ATOM 866 CG LYS A 51 7.311 -18.854 11.954 1.00 0.00 C ATOM 867 CD LYS A 51 8.282 -20.015 12.111 1.00 0.00 C ATOM 868 CE LYS A 51 9.724 -19.615 11.803 1.00 0.00 C ATOM 869 NZ LYS A 51 10.234 -18.558 12.705 1.00 0.00 N ATOM 0 H LYS A 51 5.997 -17.447 10.384 1.00 0.00 H new ATOM 0 HA LYS A 51 3.824 -18.717 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.744 -19.739 13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.683 -20.138 11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.441 -18.396 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.532 -18.087 12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.224 -20.398 13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.984 -20.827 11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.364 -20.494 11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.787 -19.267 10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.226 -18.351 12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.664 -17.696 12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.171 -18.883 13.691 1.00 0.00 H new ATOM 883 N VAL A 52 4.682 -16.004 12.716 1.00 0.00 N ATOM 884 CA VAL A 52 4.586 -14.953 13.695 1.00 0.00 C ATOM 885 C VAL A 52 3.131 -14.685 14.071 1.00 0.00 C ATOM 886 O VAL A 52 2.196 -15.095 13.356 1.00 0.00 O ATOM 887 CB VAL A 52 5.310 -13.654 13.257 1.00 0.00 C ATOM 888 CG1 VAL A 52 6.811 -13.857 13.314 1.00 0.00 C ATOM 889 CG2 VAL A 52 4.903 -13.254 11.846 1.00 0.00 C ATOM 0 H VAL A 52 4.686 -15.678 11.750 1.00 0.00 H new ATOM 0 HA VAL A 52 5.107 -15.305 14.585 1.00 0.00 H new ATOM 0 HB VAL A 52 5.022 -12.855 13.941 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.314 -12.941 13.005 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.106 -14.107 14.333 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.094 -14.670 12.645 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.425 -12.340 11.562 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.166 -14.052 11.152 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.827 -13.083 11.812 1.00 0.00 H new ATOM 899 N HIS A 53 2.939 -14.002 15.163 1.00 0.00 N ATOM 900 CA HIS A 53 1.618 -13.749 15.701 1.00 0.00 C ATOM 901 C HIS A 53 1.083 -12.416 15.203 1.00 0.00 C ATOM 902 O HIS A 53 1.715 -11.759 14.377 1.00 0.00 O ATOM 903 CB HIS A 53 1.637 -13.793 17.244 1.00 0.00 C ATOM 904 CG HIS A 53 2.014 -15.130 17.818 1.00 0.00 C ATOM 905 ND1 HIS A 53 1.110 -16.034 18.329 1.00 0.00 N ATOM 906 CD2 HIS A 53 3.231 -15.704 17.964 1.00 0.00 C ATOM 907 CE1 HIS A 53 1.781 -17.098 18.761 1.00 0.00 C ATOM 908 NE2 HIS A 53 3.082 -16.952 18.560 1.00 0.00 N ATOM 0 H HIS A 53 3.696 -13.599 15.715 1.00 0.00 H new ATOM 0 HA HIS A 53 0.950 -14.536 15.350 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.338 -13.043 17.609 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.651 -13.515 17.616 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.170 -15.262 17.665 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.326 -17.966 19.215 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.820 -17.616 18.793 1.00 0.00 H new ATOM 916 N LYS A 54 -0.077 -12.036 15.674 1.00 0.00 N ATOM 917 CA LYS A 54 -0.697 -10.785 15.288 1.00 0.00 C ATOM 918 C LYS A 54 -0.307 -9.688 16.245 1.00 0.00 C ATOM 919 O LYS A 54 0.109 -9.956 17.382 1.00 0.00 O ATOM 920 CB LYS A 54 -2.228 -10.918 15.288 1.00 0.00 C ATOM 921 CG LYS A 54 -2.815 -11.708 14.127 1.00 0.00 C ATOM 922 CD LYS A 54 -2.848 -10.893 12.822 1.00 0.00 C ATOM 923 CE LYS A 54 -4.033 -9.882 12.747 1.00 0.00 C ATOM 924 NZ LYS A 54 -4.043 -8.832 13.815 1.00 0.00 N ATOM 0 H LYS A 54 -0.624 -12.584 16.338 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.352 -10.537 14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.534 -11.393 16.220 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.663 -9.918 15.282 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.227 -12.613 13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.827 -12.024 14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.910 -10.348 12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.912 -11.578 11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.008 -9.389 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.969 -10.439 12.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.659 -8.046 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.400 -9.242 14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.076 -8.478 13.962 1.00 0.00 H new ATOM 938 N LEU A 55 -0.432 -8.471 15.793 1.00 0.00 N ATOM 939 CA LEU A 55 -0.239 -7.321 16.636 1.00 0.00 C ATOM 940 C LEU A 55 -1.562 -7.072 17.359 1.00 0.00 C ATOM 941 O LEU A 55 -2.510 -7.840 17.139 1.00 0.00 O ATOM 942 CB LEU A 55 0.169 -6.108 15.795 1.00 0.00 C ATOM 943 CG LEU A 55 1.468 -6.249 14.986 1.00 0.00 C ATOM 944 CD1 LEU A 55 1.713 -5.004 14.151 1.00 0.00 C ATOM 945 CD2 LEU A 55 2.655 -6.510 15.906 1.00 0.00 C ATOM 0 H LEU A 55 -0.671 -8.247 14.827 1.00 0.00 H new ATOM 0 HA LEU A 55 0.560 -7.491 17.357 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.643 -5.882 15.103 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.270 -5.249 16.459 1.00 0.00 H new ATOM 0 HG LEU A 55 1.359 -7.102 14.317 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.637 -5.122 13.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.881 -4.859 13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.797 -4.137 14.806 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.563 -6.606 15.310 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.765 -5.679 16.603 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.488 -7.432 16.463 1.00 0.00 H new ATOM 957 N GLU A 56 -1.640 -6.002 18.158 1.00 0.00 N ATOM 958 CA GLU A 56 -2.802 -5.688 19.019 1.00 0.00 C ATOM 959 C GLU A 56 -2.797 -6.549 20.252 1.00 0.00 C ATOM 960 O GLU A 56 -3.120 -7.744 20.210 1.00 0.00 O ATOM 961 CB GLU A 56 -4.168 -5.770 18.312 1.00 0.00 C ATOM 962 CG GLU A 56 -4.392 -4.741 17.238 1.00 0.00 C ATOM 963 CD GLU A 56 -5.697 -4.937 16.525 1.00 0.00 C ATOM 964 OE1 GLU A 56 -6.728 -4.465 17.020 1.00 0.00 O ATOM 965 OE2 GLU A 56 -5.707 -5.561 15.443 1.00 0.00 O ATOM 0 H GLU A 56 -0.890 -5.315 18.231 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.679 -4.641 19.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.273 -6.761 17.871 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.954 -5.669 19.060 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.369 -3.745 17.681 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.576 -4.788 16.517 1.00 0.00 H new ATOM 972 N HIS A 57 -2.399 -5.956 21.335 1.00 0.00 N ATOM 973 CA HIS A 57 -2.367 -6.634 22.593 1.00 0.00 C ATOM 974 C HIS A 57 -3.750 -6.650 23.185 1.00 0.00 C ATOM 975 O HIS A 57 -4.223 -5.650 23.718 1.00 0.00 O ATOM 976 CB HIS A 57 -1.364 -5.992 23.564 1.00 0.00 C ATOM 977 CG HIS A 57 0.086 -6.234 23.242 1.00 0.00 C ATOM 978 ND1 HIS A 57 0.991 -6.735 24.152 1.00 0.00 N ATOM 979 CD2 HIS A 57 0.793 -6.003 22.104 1.00 0.00 C ATOM 980 CE1 HIS A 57 2.186 -6.790 23.565 1.00 0.00 C ATOM 981 NE2 HIS A 57 2.125 -6.355 22.313 1.00 0.00 N ATOM 0 H HIS A 57 -2.086 -4.986 21.371 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.032 -7.657 22.424 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.540 -4.917 23.584 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.564 -6.367 24.568 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.387 -5.609 21.184 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.087 -7.143 24.046 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.892 -6.292 21.644 1.00 0.00 H new ATOM 989 N HIS A 58 -4.417 -7.748 23.021 1.00 0.00 N ATOM 990 CA HIS A 58 -5.743 -7.917 23.527 1.00 0.00 C ATOM 991 C HIS A 58 -5.950 -9.343 23.947 1.00 0.00 C ATOM 992 O HIS A 58 -5.285 -10.250 23.448 1.00 0.00 O ATOM 993 CB HIS A 58 -6.827 -7.464 22.501 1.00 0.00 C ATOM 994 CG HIS A 58 -6.773 -8.102 21.123 1.00 0.00 C ATOM 995 ND1 HIS A 58 -6.825 -7.387 19.948 1.00 0.00 N ATOM 996 CD2 HIS A 58 -6.725 -9.411 20.752 1.00 0.00 C ATOM 997 CE1 HIS A 58 -6.812 -8.252 18.934 1.00 0.00 C ATOM 998 NE2 HIS A 58 -6.751 -9.497 19.368 1.00 0.00 N ATOM 0 H HIS A 58 -4.053 -8.562 22.526 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.856 -7.272 24.399 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.808 -7.666 22.931 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.749 -6.384 22.379 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.675 -10.251 21.429 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.847 -7.971 17.892 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.728 -10.346 18.803 1.00 0.00 H new ATOM 1006 N HIS A 59 -6.822 -9.539 24.876 1.00 0.00 N ATOM 1007 CA HIS A 59 -7.154 -10.866 25.344 1.00 0.00 C ATOM 1008 C HIS A 59 -8.585 -11.165 24.972 1.00 0.00 C ATOM 1009 O HIS A 59 -8.953 -12.324 24.710 1.00 0.00 O ATOM 1010 CB HIS A 59 -7.031 -10.951 26.874 1.00 0.00 C ATOM 1011 CG HIS A 59 -5.704 -10.539 27.426 1.00 0.00 C ATOM 1012 ND1 HIS A 59 -4.717 -11.410 27.796 1.00 0.00 N ATOM 1013 CD2 HIS A 59 -5.230 -9.303 27.687 1.00 0.00 C ATOM 1014 CE1 HIS A 59 -3.696 -10.698 28.263 1.00 0.00 C ATOM 1015 NE2 HIS A 59 -3.957 -9.402 28.219 1.00 0.00 N ATOM 0 H HIS A 59 -7.333 -8.790 25.342 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.468 -11.579 24.888 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.803 -10.325 27.321 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.234 -11.976 27.183 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.762 -8.380 27.508 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.773 -11.123 28.631 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.349 -8.638 28.514 1.00 0.00 H new ATOM 1023 N HIS A 60 -9.375 -10.091 24.927 1.00 0.00 N ATOM 1024 CA HIS A 60 -10.812 -10.120 24.730 1.00 0.00 C ATOM 1025 C HIS A 60 -11.504 -10.615 25.973 1.00 0.00 C ATOM 1026 O HIS A 60 -11.134 -11.647 26.562 1.00 0.00 O ATOM 1027 CB HIS A 60 -11.273 -10.883 23.467 1.00 0.00 C ATOM 1028 CG HIS A 60 -10.943 -10.186 22.179 1.00 0.00 C ATOM 1029 ND1 HIS A 60 -10.189 -10.736 21.167 1.00 0.00 N ATOM 1030 CD2 HIS A 60 -11.330 -8.967 21.731 1.00 0.00 C ATOM 1031 CE1 HIS A 60 -10.144 -9.859 20.160 1.00 0.00 C ATOM 1032 NE2 HIS A 60 -10.824 -8.764 20.454 1.00 0.00 N ATOM 0 H HIS A 60 -9.010 -9.144 25.032 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.112 -9.088 24.545 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.811 -11.870 23.463 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.351 -11.035 23.520 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.937 -8.263 22.281 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.621 -10.023 19.229 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.951 -7.941 19.865 1.00 0.00 H new ATOM 1040 N HIS A 61 -12.507 -9.887 26.379 1.00 0.00 N ATOM 1041 CA HIS A 61 -13.243 -10.192 27.589 1.00 0.00 C ATOM 1042 C HIS A 61 -14.305 -11.270 27.285 1.00 0.00 C ATOM 1043 O HIS A 61 -15.108 -11.647 28.129 1.00 0.00 O ATOM 1044 CB HIS A 61 -13.874 -8.894 28.139 1.00 0.00 C ATOM 1045 CG HIS A 61 -14.365 -8.976 29.558 1.00 0.00 C ATOM 1046 ND1 HIS A 61 -15.690 -9.004 29.919 1.00 0.00 N ATOM 1047 CD2 HIS A 61 -13.666 -8.998 30.716 1.00 0.00 C ATOM 1048 CE1 HIS A 61 -15.758 -9.043 31.250 1.00 0.00 C ATOM 1049 NE2 HIS A 61 -14.552 -9.040 31.787 1.00 0.00 N ATOM 0 H HIS A 61 -12.843 -9.061 25.883 1.00 0.00 H new ATOM 0 HA HIS A 61 -12.577 -10.591 28.354 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -13.138 -8.093 28.071 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -14.709 -8.614 27.497 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.589 -8.985 30.796 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -16.678 -9.073 31.814 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.319 -9.064 32.780 1.00 0.00 H new ATOM 1057 N HIS A 62 -14.281 -11.751 26.061 1.00 0.00 N ATOM 1058 CA HIS A 62 -15.136 -12.814 25.623 1.00 0.00 C ATOM 1059 C HIS A 62 -14.261 -13.997 25.277 1.00 0.00 C ATOM 1060 O HIS A 62 -13.790 -14.083 24.130 1.00 0.00 O ATOM 1061 CB HIS A 62 -15.968 -12.409 24.394 1.00 0.00 C ATOM 1062 CG HIS A 62 -16.926 -11.283 24.620 1.00 0.00 C ATOM 1063 ND1 HIS A 62 -18.233 -11.454 25.008 1.00 0.00 N ATOM 1064 CD2 HIS A 62 -16.756 -9.952 24.465 1.00 0.00 C ATOM 1065 CE1 HIS A 62 -18.813 -10.259 25.068 1.00 0.00 C ATOM 1066 NE2 HIS A 62 -17.956 -9.301 24.748 1.00 0.00 N ATOM 1067 OXT HIS A 62 -13.982 -14.823 26.163 1.00 0.00 O ATOM 0 H HIS A 62 -13.653 -11.403 25.336 1.00 0.00 H new ATOM 0 HA HIS A 62 -15.837 -13.060 26.421 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -15.287 -12.131 23.589 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -16.528 -13.279 24.051 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.837 -9.469 24.169 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.844 -10.092 25.341 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -18.136 -8.298 24.715 1.00 0.00 H new TER 1075 HIS A 62 ATOM 1076 N MET B 1 5.822 24.698 -1.122 1.00 0.00 N ATOM 1077 CA MET B 1 6.455 23.647 -0.343 1.00 0.00 C ATOM 1078 C MET B 1 6.874 22.519 -1.242 1.00 0.00 C ATOM 1079 O MET B 1 6.075 22.029 -2.040 1.00 0.00 O ATOM 1080 CB MET B 1 5.519 23.124 0.752 1.00 0.00 C ATOM 1081 CG MET B 1 5.260 24.112 1.873 1.00 0.00 C ATOM 1082 SD MET B 1 6.775 24.583 2.726 1.00 0.00 S ATOM 1083 CE MET B 1 6.120 25.669 3.984 1.00 0.00 C ATOM 0 H1 MET B 1 5.551 25.481 -0.493 1.00 0.00 H new ATOM 0 H2 MET B 1 6.488 25.046 -1.841 1.00 0.00 H new ATOM 0 H3 MET B 1 4.973 24.320 -1.590 1.00 0.00 H new ATOM 0 HA MET B 1 7.336 24.071 0.139 1.00 0.00 H new ATOM 0 HB2 MET B 1 4.567 22.848 0.299 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.946 22.215 1.176 1.00 0.00 H new ATOM 0 HG2 MET B 1 4.781 25.003 1.467 1.00 0.00 H new ATOM 0 HG3 MET B 1 4.563 23.674 2.588 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.936 26.047 4.600 1.00 0.00 H new ATOM 0 HE2 MET B 1 5.606 26.505 3.511 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.418 25.119 4.610 1.00 0.00 H new ATOM 1095 N GLU B 2 8.110 22.098 -1.121 1.00 0.00 N ATOM 1096 CA GLU B 2 8.610 21.024 -1.922 1.00 0.00 C ATOM 1097 C GLU B 2 8.216 19.720 -1.270 1.00 0.00 C ATOM 1098 O GLU B 2 8.736 19.335 -0.209 1.00 0.00 O ATOM 1099 CB GLU B 2 10.143 21.141 -2.127 1.00 0.00 C ATOM 1100 CG GLU B 2 10.766 20.183 -3.163 1.00 0.00 C ATOM 1101 CD GLU B 2 10.847 18.737 -2.723 1.00 0.00 C ATOM 1102 OE1 GLU B 2 9.899 17.972 -2.960 1.00 0.00 O ATOM 1103 OE2 GLU B 2 11.889 18.343 -2.155 1.00 0.00 O ATOM 0 H GLU B 2 8.787 22.491 -0.468 1.00 0.00 H new ATOM 0 HA GLU B 2 8.172 21.067 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU B 2 10.372 22.164 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU B 2 10.631 20.972 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU B 2 10.183 20.236 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU B 2 11.771 20.532 -3.402 1.00 0.00 H new ATOM 1110 N MET B 3 7.260 19.088 -1.873 1.00 0.00 N ATOM 1111 CA MET B 3 6.790 17.799 -1.447 1.00 0.00 C ATOM 1112 C MET B 3 6.656 16.911 -2.667 1.00 0.00 C ATOM 1113 O MET B 3 6.183 15.775 -2.592 1.00 0.00 O ATOM 1114 CB MET B 3 5.451 17.930 -0.710 1.00 0.00 C ATOM 1115 CG MET B 3 4.328 18.546 -1.541 1.00 0.00 C ATOM 1116 SD MET B 3 2.808 18.788 -0.590 1.00 0.00 S ATOM 1117 CE MET B 3 3.383 19.927 0.673 1.00 0.00 C ATOM 0 H MET B 3 6.773 19.456 -2.690 1.00 0.00 H new ATOM 0 HA MET B 3 7.501 17.355 -0.750 1.00 0.00 H new ATOM 0 HB2 MET B 3 5.137 16.942 -0.375 1.00 0.00 H new ATOM 0 HB3 MET B 3 5.600 18.537 0.183 1.00 0.00 H new ATOM 0 HG2 MET B 3 4.660 19.505 -1.938 1.00 0.00 H new ATOM 0 HG3 MET B 3 4.119 17.902 -2.395 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.555 20.557 0.998 1.00 0.00 H new ATOM 0 HE2 MET B 3 3.766 19.364 1.524 1.00 0.00 H new ATOM 0 HE3 MET B 3 4.177 20.552 0.265 1.00 0.00 H new ATOM 1127 N GLY B 4 7.143 17.422 -3.771 1.00 0.00 N ATOM 1128 CA GLY B 4 7.032 16.754 -5.030 1.00 0.00 C ATOM 1129 C GLY B 4 8.135 15.772 -5.213 1.00 0.00 C ATOM 1130 O GLY B 4 7.921 14.677 -5.742 1.00 0.00 O ATOM 0 H GLY B 4 7.629 18.318 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY B 4 6.071 16.242 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY B 4 7.055 17.486 -5.837 1.00 0.00 H new ATOM 1134 N GLN B 5 9.305 16.122 -4.732 1.00 0.00 N ATOM 1135 CA GLN B 5 10.449 15.256 -4.820 1.00 0.00 C ATOM 1136 C GLN B 5 10.364 14.291 -3.667 1.00 0.00 C ATOM 1137 O GLN B 5 10.878 13.181 -3.716 1.00 0.00 O ATOM 1138 CB GLN B 5 11.754 16.032 -4.758 1.00 0.00 C ATOM 1139 CG GLN B 5 11.809 17.251 -5.669 1.00 0.00 C ATOM 1140 CD GLN B 5 11.606 16.898 -7.111 1.00 0.00 C ATOM 1141 OE1 GLN B 5 10.482 16.899 -7.614 1.00 0.00 O ATOM 1142 NE2 GLN B 5 12.669 16.558 -7.779 1.00 0.00 N ATOM 0 H GLN B 5 9.487 17.013 -4.271 1.00 0.00 H new ATOM 0 HA GLN B 5 10.442 14.735 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN B 5 11.921 16.355 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN B 5 12.573 15.362 -5.019 1.00 0.00 H new ATOM 0 HG2 GLN B 5 11.045 17.965 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN B 5 12.773 17.746 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN B 5 13.582 16.571 -7.325 1.00 0.00 H new ATOM 0 HE22 GLN B 5 12.589 16.279 -8.757 1.00 0.00 H new ATOM 1151 N LEU B 6 9.688 14.731 -2.628 1.00 0.00 N ATOM 1152 CA LEU B 6 9.366 13.886 -1.505 1.00 0.00 C ATOM 1153 C LEU B 6 8.447 12.760 -2.010 1.00 0.00 C ATOM 1154 O LEU B 6 8.689 11.583 -1.750 1.00 0.00 O ATOM 1155 CB LEU B 6 8.719 14.751 -0.372 1.00 0.00 C ATOM 1156 CG LEU B 6 8.268 14.064 0.950 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.942 13.339 0.787 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.337 13.105 1.463 1.00 0.00 C ATOM 0 H LEU B 6 9.346 15.688 -2.541 1.00 0.00 H new ATOM 0 HA LEU B 6 10.255 13.427 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.433 15.531 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.847 15.247 -0.797 1.00 0.00 H new ATOM 0 HG LEU B 6 8.127 14.854 1.687 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.663 12.873 1.732 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.172 14.052 0.492 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.039 12.571 0.019 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.995 12.640 2.387 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.523 12.334 0.716 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.258 13.655 1.653 1.00 0.00 H new ATOM 1170 N LYS B 7 7.425 13.137 -2.786 1.00 0.00 N ATOM 1171 CA LYS B 7 6.507 12.170 -3.386 1.00 0.00 C ATOM 1172 C LYS B 7 7.246 11.311 -4.408 1.00 0.00 C ATOM 1173 O LYS B 7 6.927 10.143 -4.596 1.00 0.00 O ATOM 1174 CB LYS B 7 5.313 12.882 -4.041 1.00 0.00 C ATOM 1175 CG LYS B 7 3.953 12.414 -3.520 1.00 0.00 C ATOM 1176 CD LYS B 7 3.660 10.951 -3.861 1.00 0.00 C ATOM 1177 CE LYS B 7 3.390 10.745 -5.345 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.113 11.360 -5.783 1.00 0.00 N ATOM 0 H LYS B 7 7.215 14.109 -3.012 1.00 0.00 H new ATOM 0 HA LYS B 7 6.121 11.524 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.406 13.955 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.353 12.722 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.919 12.544 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.171 13.045 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.506 10.334 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.798 10.612 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.211 11.170 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.368 9.677 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.884 11.037 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.351 11.079 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.207 12.396 -5.779 1.00 0.00 H new ATOM 1192 N ASN B 8 8.231 11.918 -5.055 1.00 0.00 N ATOM 1193 CA ASN B 8 9.118 11.239 -6.007 1.00 0.00 C ATOM 1194 C ASN B 8 9.824 10.082 -5.301 1.00 0.00 C ATOM 1195 O ASN B 8 9.839 8.950 -5.792 1.00 0.00 O ATOM 1196 CB ASN B 8 10.166 12.239 -6.514 1.00 0.00 C ATOM 1197 CG ASN B 8 11.164 11.672 -7.495 1.00 0.00 C ATOM 1198 OD1 ASN B 8 12.184 11.079 -7.106 1.00 0.00 O ATOM 1199 ND2 ASN B 8 10.947 11.928 -8.749 1.00 0.00 N ATOM 0 H ASN B 8 8.445 12.908 -4.936 1.00 0.00 H new ATOM 0 HA ASN B 8 8.537 10.855 -6.846 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.650 13.076 -6.985 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.708 12.640 -5.658 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.626 11.640 -9.453 1.00 0.00 H new ATOM 0 HD22 ASN B 8 10.097 12.417 -9.030 1.00 0.00 H new ATOM 1206 N LYS B 9 10.383 10.381 -4.128 1.00 0.00 N ATOM 1207 CA LYS B 9 11.070 9.390 -3.324 1.00 0.00 C ATOM 1208 C LYS B 9 10.108 8.315 -2.864 1.00 0.00 C ATOM 1209 O LYS B 9 10.450 7.143 -2.870 1.00 0.00 O ATOM 1210 CB LYS B 9 11.767 10.029 -2.121 1.00 0.00 C ATOM 1211 CG LYS B 9 12.842 11.044 -2.491 1.00 0.00 C ATOM 1212 CD LYS B 9 13.549 11.607 -1.262 1.00 0.00 C ATOM 1213 CE LYS B 9 14.338 10.533 -0.513 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.386 9.922 -1.361 1.00 0.00 N ATOM 0 H LYS B 9 10.369 11.314 -3.717 1.00 0.00 H new ATOM 0 HA LYS B 9 11.835 8.932 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.018 10.519 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.218 9.242 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.575 10.572 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.390 11.861 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.224 12.407 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.813 12.050 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.798 10.972 0.372 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.655 9.758 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.044 9.381 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.944 9.285 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.908 10.670 -1.861 1.00 0.00 H new ATOM 1228 N ILE B 10 8.911 8.728 -2.475 1.00 0.00 N ATOM 1229 CA ILE B 10 7.856 7.805 -2.071 1.00 0.00 C ATOM 1230 C ILE B 10 7.538 6.832 -3.198 1.00 0.00 C ATOM 1231 O ILE B 10 7.551 5.617 -2.996 1.00 0.00 O ATOM 1232 CB ILE B 10 6.573 8.567 -1.627 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.862 9.338 -0.339 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.376 7.626 -1.453 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.705 10.144 0.179 1.00 0.00 C ATOM 0 H ILE B 10 8.642 9.711 -2.430 1.00 0.00 H new ATOM 0 HA ILE B 10 8.219 7.239 -1.213 1.00 0.00 H new ATOM 0 HB ILE B 10 6.301 9.270 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.169 8.631 0.431 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.705 10.007 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.503 8.201 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.165 7.127 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.607 6.879 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.000 10.657 1.094 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.409 10.879 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.865 9.482 0.389 1.00 0.00 H new ATOM 1247 N GLU B 11 7.300 7.365 -4.385 1.00 0.00 N ATOM 1248 CA GLU B 11 7.027 6.548 -5.548 1.00 0.00 C ATOM 1249 C GLU B 11 8.154 5.588 -5.816 1.00 0.00 C ATOM 1250 O GLU B 11 7.936 4.387 -5.869 1.00 0.00 O ATOM 1251 CB GLU B 11 6.747 7.403 -6.778 1.00 0.00 C ATOM 1252 CG GLU B 11 5.376 8.032 -6.770 1.00 0.00 C ATOM 1253 CD GLU B 11 4.302 6.978 -6.761 1.00 0.00 C ATOM 1254 OE1 GLU B 11 4.169 6.236 -7.759 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.600 6.821 -5.743 1.00 0.00 O ATOM 0 H GLU B 11 7.291 8.369 -4.566 1.00 0.00 H new ATOM 0 HA GLU B 11 6.130 5.968 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.499 8.189 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.851 6.787 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.270 8.672 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.259 8.669 -7.647 1.00 0.00 H new ATOM 1262 N ASN B 12 9.352 6.118 -5.934 1.00 0.00 N ATOM 1263 CA ASN B 12 10.548 5.325 -6.200 1.00 0.00 C ATOM 1264 C ASN B 12 10.766 4.230 -5.157 1.00 0.00 C ATOM 1265 O ASN B 12 11.087 3.097 -5.508 1.00 0.00 O ATOM 1266 CB ASN B 12 11.784 6.235 -6.298 1.00 0.00 C ATOM 1267 CG ASN B 12 13.088 5.463 -6.463 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.464 5.081 -7.578 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.809 5.281 -5.387 1.00 0.00 N ATOM 0 H ASN B 12 9.532 7.118 -5.849 1.00 0.00 H new ATOM 0 HA ASN B 12 10.397 4.825 -7.157 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.662 6.913 -7.143 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.845 6.851 -5.401 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.712 4.811 -5.452 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.468 5.609 -4.483 1.00 0.00 H new ATOM 1276 N LYS B 13 10.549 4.561 -3.899 1.00 0.00 N ATOM 1277 CA LYS B 13 10.773 3.635 -2.797 1.00 0.00 C ATOM 1278 C LYS B 13 9.733 2.518 -2.807 1.00 0.00 C ATOM 1279 O LYS B 13 10.071 1.339 -2.685 1.00 0.00 O ATOM 1280 CB LYS B 13 10.731 4.384 -1.473 1.00 0.00 C ATOM 1281 CG LYS B 13 11.241 3.590 -0.288 1.00 0.00 C ATOM 1282 CD LYS B 13 12.695 3.177 -0.472 1.00 0.00 C ATOM 1283 CE LYS B 13 13.608 4.366 -0.703 1.00 0.00 C ATOM 1284 NZ LYS B 13 15.007 3.952 -0.819 1.00 0.00 N ATOM 0 H LYS B 13 10.212 5.479 -3.608 1.00 0.00 H new ATOM 0 HA LYS B 13 11.757 3.183 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.322 5.295 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.704 4.690 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.144 4.187 0.619 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.624 2.701 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.029 2.631 0.410 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.772 2.494 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.305 4.888 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.503 5.072 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.619 4.793 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.258 3.346 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.140 3.423 -1.704 1.00 0.00 H new ATOM 1298 N LYS B 14 8.482 2.908 -2.953 1.00 0.00 N ATOM 1299 CA LYS B 14 7.371 2.000 -3.076 1.00 0.00 C ATOM 1300 C LYS B 14 7.607 1.073 -4.273 1.00 0.00 C ATOM 1301 O LYS B 14 7.419 -0.124 -4.180 1.00 0.00 O ATOM 1302 CB LYS B 14 6.091 2.823 -3.276 1.00 0.00 C ATOM 1303 CG LYS B 14 4.851 2.006 -3.629 1.00 0.00 C ATOM 1304 CD LYS B 14 3.760 2.878 -4.257 1.00 0.00 C ATOM 1305 CE LYS B 14 4.160 3.374 -5.638 1.00 0.00 C ATOM 1306 NZ LYS B 14 3.119 4.231 -6.243 1.00 0.00 N ATOM 0 H LYS B 14 8.209 3.890 -2.990 1.00 0.00 H new ATOM 0 HA LYS B 14 7.272 1.390 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.891 3.384 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.265 3.552 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.124 1.210 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.462 1.527 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.835 2.307 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.558 3.731 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.093 3.933 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.350 2.520 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.394 4.477 -7.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.214 3.719 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.016 5.100 -5.682 1.00 0.00 H new ATOM 1320 N LYS B 15 8.057 1.648 -5.375 1.00 0.00 N ATOM 1321 CA LYS B 15 8.366 0.892 -6.581 1.00 0.00 C ATOM 1322 C LYS B 15 9.532 -0.070 -6.362 1.00 0.00 C ATOM 1323 O LYS B 15 9.483 -1.200 -6.840 1.00 0.00 O ATOM 1324 CB LYS B 15 8.593 1.835 -7.757 1.00 0.00 C ATOM 1325 CG LYS B 15 7.306 2.505 -8.223 1.00 0.00 C ATOM 1326 CD LYS B 15 7.583 3.710 -9.096 1.00 0.00 C ATOM 1327 CE LYS B 15 6.301 4.275 -9.687 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.546 5.450 -10.544 1.00 0.00 N ATOM 0 H LYS B 15 8.219 2.651 -5.461 1.00 0.00 H new ATOM 0 HA LYS B 15 7.506 0.268 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.315 2.600 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.030 1.278 -8.586 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.702 1.786 -8.777 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.721 2.811 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.084 4.479 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.263 3.430 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.801 3.501 -10.270 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.624 4.553 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.642 5.798 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.998 6.200 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.171 5.181 -11.331 1.00 0.00 H new ATOM 1342 N GLU B 16 10.562 0.370 -5.606 1.00 0.00 N ATOM 1343 CA GLU B 16 11.669 -0.522 -5.210 1.00 0.00 C ATOM 1344 C GLU B 16 11.100 -1.750 -4.497 1.00 0.00 C ATOM 1345 O GLU B 16 11.520 -2.887 -4.739 1.00 0.00 O ATOM 1346 CB GLU B 16 12.680 0.160 -4.245 1.00 0.00 C ATOM 1347 CG GLU B 16 13.624 1.208 -4.822 1.00 0.00 C ATOM 1348 CD GLU B 16 14.644 1.667 -3.770 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.482 0.835 -3.329 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.603 2.835 -3.324 1.00 0.00 O ATOM 0 H GLU B 16 10.648 1.326 -5.262 1.00 0.00 H new ATOM 0 HA GLU B 16 12.197 -0.791 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.111 0.629 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.287 -0.622 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU B 16 14.147 0.796 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU B 16 13.050 2.065 -5.176 1.00 0.00 H new ATOM 1357 N LEU B 17 10.123 -1.494 -3.645 1.00 0.00 N ATOM 1358 CA LEU B 17 9.458 -2.510 -2.864 1.00 0.00 C ATOM 1359 C LEU B 17 8.595 -3.410 -3.726 1.00 0.00 C ATOM 1360 O LEU B 17 8.618 -4.627 -3.561 1.00 0.00 O ATOM 1361 CB LEU B 17 8.657 -1.846 -1.706 1.00 0.00 C ATOM 1362 CG LEU B 17 7.627 -2.690 -0.923 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.326 -2.854 -1.656 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.202 -4.015 -0.470 1.00 0.00 C ATOM 0 H LEU B 17 9.766 -0.553 -3.477 1.00 0.00 H new ATOM 0 HA LEU B 17 10.213 -3.160 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.379 -1.459 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.130 -0.987 -2.122 1.00 0.00 H new ATOM 0 HG LEU B 17 7.393 -2.123 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.644 -3.456 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.884 -1.874 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.506 -3.351 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.442 -4.574 0.076 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.520 -4.590 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.058 -3.837 0.180 1.00 0.00 H new ATOM 1376 N ILE B 18 7.821 -2.825 -4.610 1.00 0.00 N ATOM 1377 CA ILE B 18 6.943 -3.599 -5.465 1.00 0.00 C ATOM 1378 C ILE B 18 7.765 -4.573 -6.298 1.00 0.00 C ATOM 1379 O ILE B 18 7.406 -5.730 -6.442 1.00 0.00 O ATOM 1380 CB ILE B 18 6.079 -2.699 -6.379 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.170 -1.792 -5.531 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.223 -3.570 -7.311 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.588 -0.634 -6.299 1.00 0.00 C ATOM 0 H ILE B 18 7.779 -1.817 -4.758 1.00 0.00 H new ATOM 0 HA ILE B 18 6.258 -4.155 -4.825 1.00 0.00 H new ATOM 0 HB ILE B 18 6.739 -2.072 -6.979 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.357 -2.390 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.741 -1.407 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.617 -2.930 -7.952 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.873 -4.190 -7.928 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.571 -4.209 -6.715 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.959 -0.039 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.395 -0.013 -6.688 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.989 -1.011 -7.128 1.00 0.00 H new ATOM 1395 N GLN B 19 8.903 -4.105 -6.774 1.00 0.00 N ATOM 1396 CA GLN B 19 9.819 -4.937 -7.521 1.00 0.00 C ATOM 1397 C GLN B 19 10.405 -6.058 -6.625 1.00 0.00 C ATOM 1398 O GLN B 19 10.732 -7.142 -7.109 1.00 0.00 O ATOM 1399 CB GLN B 19 10.913 -4.082 -8.162 1.00 0.00 C ATOM 1400 CG GLN B 19 10.375 -3.076 -9.183 1.00 0.00 C ATOM 1401 CD GLN B 19 11.460 -2.237 -9.832 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.814 -1.148 -9.355 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.989 -2.716 -10.914 1.00 0.00 N ATOM 0 H GLN B 19 9.215 -3.141 -6.653 1.00 0.00 H new ATOM 0 HA GLN B 19 9.271 -5.427 -8.326 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.449 -3.544 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.635 -4.735 -8.652 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.829 -3.613 -9.958 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.661 -2.416 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.675 -3.615 -11.280 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.719 -2.194 -11.399 1.00 0.00 H new ATOM 1412 N LEU B 20 10.478 -5.804 -5.318 1.00 0.00 N ATOM 1413 CA LEU B 20 10.947 -6.798 -4.353 1.00 0.00 C ATOM 1414 C LEU B 20 9.896 -7.880 -4.120 1.00 0.00 C ATOM 1415 O LEU B 20 10.204 -9.068 -4.208 1.00 0.00 O ATOM 1416 CB LEU B 20 11.364 -6.166 -3.017 1.00 0.00 C ATOM 1417 CG LEU B 20 12.617 -5.289 -3.035 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.855 -4.690 -1.666 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.833 -6.095 -3.467 1.00 0.00 C ATOM 0 H LEU B 20 10.216 -4.911 -4.901 1.00 0.00 H new ATOM 0 HA LEU B 20 11.834 -7.258 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.532 -5.564 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.520 -6.968 -2.295 1.00 0.00 H new ATOM 0 HG LEU B 20 12.461 -4.485 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.750 -4.068 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.997 -4.081 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.990 -5.489 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.713 -5.451 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.990 -6.918 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.668 -6.493 -4.468 1.00 0.00 H new ATOM 1431 N VAL B 21 8.651 -7.488 -3.810 1.00 0.00 N ATOM 1432 CA VAL B 21 7.592 -8.463 -3.654 1.00 0.00 C ATOM 1433 C VAL B 21 7.334 -9.213 -4.985 1.00 0.00 C ATOM 1434 O VAL B 21 6.895 -10.358 -5.000 1.00 0.00 O ATOM 1435 CB VAL B 21 6.281 -7.816 -3.147 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.523 -6.879 -1.999 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.475 -7.165 -4.237 1.00 0.00 C ATOM 0 H VAL B 21 8.368 -6.518 -3.667 1.00 0.00 H new ATOM 0 HA VAL B 21 7.924 -9.178 -2.902 1.00 0.00 H new ATOM 0 HB VAL B 21 5.672 -8.640 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.576 -6.448 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.974 -7.426 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.195 -6.082 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.570 -6.732 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.067 -6.379 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.204 -7.911 -4.984 1.00 0.00 H new ATOM 1447 N ALA B 22 7.628 -8.549 -6.094 1.00 0.00 N ATOM 1448 CA ALA B 22 7.477 -9.131 -7.401 1.00 0.00 C ATOM 1449 C ALA B 22 8.472 -10.260 -7.597 1.00 0.00 C ATOM 1450 O ALA B 22 8.079 -11.388 -7.931 1.00 0.00 O ATOM 1451 CB ALA B 22 7.632 -8.070 -8.471 1.00 0.00 C ATOM 0 H ALA B 22 7.978 -7.591 -6.103 1.00 0.00 H new ATOM 0 HA ALA B 22 6.474 -9.550 -7.486 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.515 -8.525 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.871 -7.301 -8.334 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.621 -7.619 -8.395 1.00 0.00 H new ATOM 1457 N ARG B 23 9.754 -9.984 -7.295 1.00 0.00 N ATOM 1458 CA ARG B 23 10.825 -10.976 -7.444 1.00 0.00 C ATOM 1459 C ARG B 23 10.697 -12.124 -6.439 1.00 0.00 C ATOM 1460 O ARG B 23 11.463 -13.088 -6.491 1.00 0.00 O ATOM 1461 CB ARG B 23 12.228 -10.351 -7.382 1.00 0.00 C ATOM 1462 CG ARG B 23 12.530 -9.603 -6.106 1.00 0.00 C ATOM 1463 CD ARG B 23 13.977 -9.149 -6.043 1.00 0.00 C ATOM 1464 NE ARG B 23 14.902 -10.288 -5.888 1.00 0.00 N ATOM 1465 CZ ARG B 23 16.235 -10.231 -6.014 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.828 -9.094 -6.364 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.971 -11.322 -5.783 1.00 0.00 N ATOM 0 H ARG B 23 10.070 -9.079 -6.946 1.00 0.00 H new ATOM 0 HA ARG B 23 10.701 -11.393 -8.443 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.969 -11.141 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG B 23 12.344 -9.668 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.874 -8.736 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.313 -10.243 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.226 -8.600 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.106 -8.460 -5.208 1.00 0.00 H new ATOM 0 HE ARG B 23 14.492 -11.195 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG B 23 16.268 -8.259 -6.538 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.843 -9.056 -6.458 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.518 -12.195 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.986 -11.282 -5.878 1.00 0.00 H new ATOM 1481 N HIS B 24 9.772 -11.995 -5.506 1.00 0.00 N ATOM 1482 CA HIS B 24 9.419 -13.093 -4.629 1.00 0.00 C ATOM 1483 C HIS B 24 8.860 -14.220 -5.488 1.00 0.00 C ATOM 1484 O HIS B 24 9.276 -15.379 -5.384 1.00 0.00 O ATOM 1485 CB HIS B 24 8.365 -12.636 -3.590 1.00 0.00 C ATOM 1486 CG HIS B 24 7.678 -13.764 -2.837 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.457 -14.302 -3.200 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.067 -14.448 -1.737 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.161 -15.273 -2.333 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.106 -15.404 -1.425 1.00 0.00 N ATOM 0 H HIS B 24 9.250 -11.135 -5.337 1.00 0.00 H new ATOM 0 HA HIS B 24 10.298 -13.435 -4.084 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.849 -11.979 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.605 -12.044 -4.101 1.00 0.00 H new ATOM 0 HD2 HIS B 24 8.981 -14.278 -1.187 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.264 -15.873 -2.371 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.129 -16.069 -0.652 1.00 0.00 H new ATOM 1498 N GLY B 25 7.975 -13.851 -6.371 1.00 0.00 N ATOM 1499 CA GLY B 25 7.357 -14.801 -7.230 1.00 0.00 C ATOM 1500 C GLY B 25 5.929 -14.446 -7.507 1.00 0.00 C ATOM 1501 O GLY B 25 5.050 -15.307 -7.461 1.00 0.00 O ATOM 0 H GLY B 25 7.668 -12.888 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.908 -14.856 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.405 -15.790 -6.774 1.00 0.00 H new ATOM 1505 N LEU B 26 5.669 -13.174 -7.751 1.00 0.00 N ATOM 1506 CA LEU B 26 4.333 -12.771 -8.096 1.00 0.00 C ATOM 1507 C LEU B 26 4.106 -12.930 -9.559 1.00 0.00 C ATOM 1508 O LEU B 26 4.905 -12.482 -10.382 1.00 0.00 O ATOM 1509 CB LEU B 26 3.979 -11.363 -7.632 1.00 0.00 C ATOM 1510 CG LEU B 26 3.838 -11.175 -6.142 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.360 -9.777 -5.795 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.967 -12.250 -5.508 1.00 0.00 C ATOM 0 H LEU B 26 6.356 -12.421 -7.716 1.00 0.00 H new ATOM 0 HA LEU B 26 3.659 -13.435 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.746 -10.679 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.042 -11.070 -8.106 1.00 0.00 H new ATOM 0 HG LEU B 26 4.833 -11.288 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.271 -9.681 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.077 -9.045 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.388 -9.600 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.894 -12.073 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.971 -12.218 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.411 -13.230 -5.685 1.00 0.00 H new ATOM 1524 N ASP B 27 3.002 -13.526 -9.866 1.00 0.00 N ATOM 1525 CA ASP B 27 2.616 -13.905 -11.238 1.00 0.00 C ATOM 1526 C ASP B 27 2.082 -12.771 -12.071 1.00 0.00 C ATOM 1527 O ASP B 27 1.087 -12.925 -12.793 1.00 0.00 O ATOM 1528 CB ASP B 27 1.631 -15.053 -11.214 1.00 0.00 C ATOM 1529 CG ASP B 27 2.291 -16.393 -11.009 1.00 0.00 C ATOM 1530 OD1 ASP B 27 2.533 -16.791 -9.845 1.00 0.00 O ATOM 1531 OD2 ASP B 27 2.585 -17.078 -12.015 1.00 0.00 O ATOM 0 H ASP B 27 2.304 -13.782 -9.168 1.00 0.00 H new ATOM 0 HA ASP B 27 3.540 -14.217 -11.725 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.906 -14.886 -10.417 1.00 0.00 H new ATOM 0 HB3 ASP B 27 1.076 -15.068 -12.152 1.00 0.00 H new ATOM 1536 N HIS B 28 2.781 -11.672 -12.011 1.00 0.00 N ATOM 1537 CA HIS B 28 2.520 -10.447 -12.752 1.00 0.00 C ATOM 1538 C HIS B 28 1.207 -9.750 -12.348 1.00 0.00 C ATOM 1539 O HIS B 28 1.230 -8.581 -11.976 1.00 0.00 O ATOM 1540 CB HIS B 28 2.629 -10.645 -14.279 1.00 0.00 C ATOM 1541 CG HIS B 28 2.606 -9.359 -15.061 1.00 0.00 C ATOM 1542 ND1 HIS B 28 3.696 -8.528 -15.197 1.00 0.00 N ATOM 1543 CD2 HIS B 28 1.603 -8.768 -15.748 1.00 0.00 C ATOM 1544 CE1 HIS B 28 3.341 -7.486 -15.936 1.00 0.00 C ATOM 1545 NE2 HIS B 28 2.071 -7.578 -16.305 1.00 0.00 N ATOM 0 H HIS B 28 3.601 -11.592 -11.409 1.00 0.00 H new ATOM 0 HA HIS B 28 3.317 -9.762 -12.464 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.553 -11.178 -14.502 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.807 -11.278 -14.614 1.00 0.00 H new ATOM 0 HD2 HIS B 28 0.600 -9.155 -15.849 1.00 0.00 H new ATOM 0 HE1 HIS B 28 3.998 -6.671 -16.202 1.00 0.00 H new ATOM 0 HE2 HIS B 28 1.546 -6.917 -16.877 1.00 0.00 H new ATOM 1553 N ASP B 29 0.090 -10.481 -12.379 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.233 -9.936 -12.026 1.00 0.00 C ATOM 1555 C ASP B 29 -1.183 -9.451 -10.599 1.00 0.00 C ATOM 1556 O ASP B 29 -1.703 -8.391 -10.261 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.361 -11.002 -12.185 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.436 -12.032 -11.052 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.537 -12.888 -10.931 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.403 -12.001 -10.265 1.00 0.00 O ATOM 0 H ASP B 29 0.072 -11.465 -12.648 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.466 -9.115 -12.705 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.320 -10.488 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.213 -11.529 -13.127 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.483 -10.220 -9.793 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.267 -9.926 -8.405 1.00 0.00 C ATOM 1567 C LYS B 30 0.483 -8.606 -8.240 1.00 0.00 C ATOM 1568 O LYS B 30 0.114 -7.792 -7.428 1.00 0.00 O ATOM 1569 CB LYS B 30 0.488 -11.090 -7.776 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.294 -12.397 -7.753 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.567 -12.307 -6.929 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.374 -13.591 -7.037 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.785 -13.865 -8.436 1.00 0.00 N ATOM 0 H LYS B 30 -0.040 -11.087 -10.099 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.223 -9.806 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.418 -11.245 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.760 -10.824 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.547 -12.682 -8.774 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.339 -13.187 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.317 -12.116 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.168 -11.465 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.782 -14.426 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.259 -13.519 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.566 -14.551 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.098 -12.981 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.979 -14.255 -8.965 1.00 0.00 H new ATOM 1587 N VAL B 31 1.489 -8.389 -9.072 1.00 0.00 N ATOM 1588 CA VAL B 31 2.289 -7.166 -9.044 1.00 0.00 C ATOM 1589 C VAL B 31 1.417 -5.966 -9.440 1.00 0.00 C ATOM 1590 O VAL B 31 1.471 -4.906 -8.810 1.00 0.00 O ATOM 1591 CB VAL B 31 3.495 -7.263 -10.029 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.409 -6.050 -9.924 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.274 -8.547 -9.810 1.00 0.00 C ATOM 0 H VAL B 31 1.778 -9.055 -9.789 1.00 0.00 H new ATOM 0 HA VAL B 31 2.671 -7.035 -8.031 1.00 0.00 H new ATOM 0 HB VAL B 31 3.087 -7.278 -11.040 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.236 -6.156 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.845 -5.148 -10.161 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.801 -5.976 -8.910 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.109 -8.590 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.654 -8.572 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.619 -9.403 -9.975 1.00 0.00 H new ATOM 1603 N LEU B 32 0.602 -6.156 -10.462 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.282 -5.110 -10.973 1.00 0.00 C ATOM 1605 C LEU B 32 -1.333 -4.719 -9.947 1.00 0.00 C ATOM 1606 O LEU B 32 -1.551 -3.539 -9.688 1.00 0.00 O ATOM 1607 CB LEU B 32 -0.962 -5.563 -12.260 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.037 -5.946 -13.414 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.852 -6.347 -14.617 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.912 -4.807 -13.762 1.00 0.00 C ATOM 0 H LEU B 32 0.530 -7.040 -10.966 1.00 0.00 H new ATOM 0 HA LEU B 32 0.335 -4.236 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.595 -6.420 -12.030 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.620 -4.763 -12.600 1.00 0.00 H new ATOM 0 HG LEU B 32 0.569 -6.795 -13.100 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.184 -6.618 -15.435 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.480 -7.201 -14.363 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.482 -5.512 -14.925 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.557 -5.110 -14.587 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.335 -3.930 -14.056 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.524 -4.565 -12.893 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.963 -5.706 -9.352 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.997 -5.459 -8.365 1.00 0.00 C ATOM 1624 C LEU B 33 -2.404 -4.857 -7.099 1.00 0.00 C ATOM 1625 O LEU B 33 -3.001 -3.954 -6.495 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.734 -6.743 -8.032 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.487 -7.420 -9.181 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.992 -8.787 -8.749 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.647 -6.552 -9.652 1.00 0.00 C ATOM 0 H LEU B 33 -1.779 -6.693 -9.533 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.704 -4.747 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.013 -7.455 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.448 -6.529 -7.236 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.796 -7.549 -10.014 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.525 -9.256 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.147 -9.413 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.666 -8.674 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.168 -7.052 -10.468 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.339 -6.390 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.265 -5.592 -9.999 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.235 -5.347 -6.717 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.536 -4.875 -5.538 1.00 0.00 C ATOM 1643 C PHE B 34 -0.140 -3.420 -5.679 1.00 0.00 C ATOM 1644 O PHE B 34 -0.489 -2.604 -4.835 1.00 0.00 O ATOM 1645 CB PHE B 34 0.695 -5.753 -5.269 1.00 0.00 C ATOM 1646 CG PHE B 34 1.562 -5.310 -4.129 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.159 -5.494 -2.830 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.788 -4.715 -4.363 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.949 -5.095 -1.782 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.582 -4.313 -3.313 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.157 -4.504 -2.026 1.00 0.00 C ATOM 0 H PHE B 34 -0.745 -6.086 -7.220 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.212 -4.949 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.359 -6.771 -5.074 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.302 -5.786 -6.174 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.205 -5.960 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.125 -4.564 -5.378 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.617 -5.248 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.538 -3.848 -3.504 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.778 -4.187 -1.201 1.00 0.00 H new ATOM 1661 N SER B 35 0.542 -3.097 -6.767 1.00 0.00 N ATOM 1662 CA SER B 35 1.045 -1.754 -6.992 1.00 0.00 C ATOM 1663 C SER B 35 -0.074 -0.715 -6.978 1.00 0.00 C ATOM 1664 O SER B 35 0.044 0.339 -6.341 1.00 0.00 O ATOM 1665 CB SER B 35 1.840 -1.704 -8.305 1.00 0.00 C ATOM 1666 OG SER B 35 1.102 -2.275 -9.375 1.00 0.00 O ATOM 0 H SER B 35 0.761 -3.756 -7.514 1.00 0.00 H new ATOM 0 HA SER B 35 1.714 -1.501 -6.169 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.089 -0.670 -8.543 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.782 -2.239 -8.183 1.00 0.00 H new ATOM 0 HG SER B 35 1.243 -3.245 -9.389 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.176 -1.045 -7.614 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.262 -0.117 -7.727 1.00 0.00 C ATOM 1674 C ARG B 36 -3.041 0.040 -6.425 1.00 0.00 C ATOM 1675 O ARG B 36 -3.606 1.104 -6.168 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.171 -0.461 -8.898 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.983 -1.732 -8.774 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.677 -2.027 -10.091 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.460 -0.871 -10.565 1.00 0.00 N ATOM 1680 CZ ARG B 36 -5.479 -0.419 -11.838 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -4.727 -0.998 -12.773 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -6.226 0.628 -12.157 1.00 0.00 N ATOM 0 H ARG B 36 -1.337 -1.949 -8.058 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.819 0.858 -7.933 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.860 0.370 -9.050 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.557 -0.535 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.334 -2.564 -8.500 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.721 -1.627 -7.979 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -3.934 -2.296 -10.842 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.335 -2.888 -9.971 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.030 -0.375 -9.880 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -4.131 -1.789 -12.530 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -4.748 -0.650 -13.732 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -6.786 1.092 -11.442 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -6.241 0.970 -13.118 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.077 -0.998 -5.591 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.789 -0.861 -4.318 1.00 0.00 C ATOM 1698 C ASP B 37 -2.911 -0.176 -3.312 1.00 0.00 C ATOM 1699 O ASP B 37 -3.374 0.574 -2.461 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.273 -2.181 -3.762 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.319 -1.966 -2.670 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.526 -1.820 -3.008 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -4.986 -1.934 -1.478 1.00 0.00 O ATOM 0 H ASP B 37 -2.643 -1.906 -5.760 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.675 -0.259 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.699 -2.783 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.429 -2.740 -3.357 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.639 -0.418 -3.441 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.641 0.202 -2.615 1.00 0.00 C ATOM 1710 C LEU B 38 -0.634 1.704 -2.851 1.00 0.00 C ATOM 1711 O LEU B 38 -0.508 2.485 -1.914 1.00 0.00 O ATOM 1712 CB LEU B 38 0.702 -0.466 -2.905 1.00 0.00 C ATOM 1713 CG LEU B 38 1.964 0.062 -2.228 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.734 0.382 -0.779 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.001 -1.010 -2.306 1.00 0.00 C ATOM 0 H LEU B 38 -1.258 -1.062 -4.134 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.858 0.065 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.607 -1.520 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.865 -0.419 -3.982 1.00 0.00 H new ATOM 0 HG LEU B 38 2.272 0.978 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.658 0.754 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.959 1.143 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.418 -0.519 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.918 -0.664 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.641 -1.903 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.202 -1.247 -3.351 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.816 2.096 -4.095 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.958 3.504 -4.438 1.00 0.00 C ATOM 1729 C ASP B 39 -2.174 4.095 -3.731 1.00 0.00 C ATOM 1730 O ASP B 39 -2.088 5.161 -3.125 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.086 3.680 -5.940 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.346 5.113 -6.338 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.377 5.905 -6.407 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.514 5.458 -6.645 1.00 0.00 O ATOM 0 H ASP B 39 -0.870 1.460 -4.891 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.064 4.033 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.172 3.334 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.898 3.052 -6.308 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.291 3.361 -3.778 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.527 3.747 -3.090 1.00 0.00 C ATOM 1741 C LYS B 40 -4.271 3.956 -1.609 1.00 0.00 C ATOM 1742 O LYS B 40 -4.645 4.983 -1.054 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.600 2.667 -3.257 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.195 2.551 -4.649 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.983 1.250 -4.814 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.072 1.059 -3.768 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.631 -0.309 -3.826 1.00 0.00 N ATOM 0 H LYS B 40 -3.363 2.484 -4.293 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.876 4.678 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.168 1.704 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.406 2.867 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.850 3.401 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.398 2.592 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.436 1.233 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.292 0.408 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.664 1.247 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.867 1.787 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.565 -0.322 -3.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.728 -0.602 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -7.994 -0.966 -3.332 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.611 2.981 -0.990 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.294 3.016 0.429 1.00 0.00 C ATOM 1763 C LEU B 41 -2.416 4.217 0.767 1.00 0.00 C ATOM 1764 O LEU B 41 -2.652 4.908 1.759 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.611 1.712 0.865 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.230 1.608 2.349 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.451 1.740 3.240 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.518 0.303 2.628 1.00 0.00 C ATOM 0 H LEU B 41 -3.280 2.141 -1.464 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.230 3.117 0.978 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.273 0.881 0.623 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.707 1.583 0.270 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.553 2.432 2.575 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.149 1.662 4.285 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.923 2.708 3.070 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.159 0.945 3.007 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.257 0.250 3.685 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.173 -0.530 2.373 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.610 0.248 2.027 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.434 4.473 -0.063 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.558 5.597 0.137 1.00 0.00 C ATOM 1782 C ILE B 42 -1.316 6.907 0.012 1.00 0.00 C ATOM 1783 O ILE B 42 -1.306 7.689 0.937 1.00 0.00 O ATOM 1784 CB ILE B 42 0.682 5.546 -0.791 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.547 4.359 -0.390 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.491 6.839 -0.726 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.754 4.167 -1.246 1.00 0.00 C ATOM 0 H ILE B 42 -1.222 3.912 -0.888 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.176 5.537 1.156 1.00 0.00 H new ATOM 0 HB ILE B 42 0.343 5.432 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.865 4.488 0.644 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.941 3.453 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.352 6.763 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.865 7.676 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.834 7.002 0.295 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.316 3.302 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.446 4.004 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.384 5.055 -1.191 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.029 7.103 -1.094 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.826 8.333 -1.327 1.00 0.00 C ATOM 1801 C ASN B 43 -3.801 8.558 -0.194 1.00 0.00 C ATOM 1802 O ASN B 43 -3.958 9.684 0.293 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.593 8.275 -2.661 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.688 8.227 -3.872 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.582 8.765 -3.864 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.147 7.607 -4.915 1.00 0.00 N ATOM 0 H ASN B 43 -2.079 6.427 -1.856 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.123 9.165 -1.374 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.238 7.396 -2.663 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.243 9.147 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.586 7.554 -5.765 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.069 7.172 -4.885 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.408 7.468 0.249 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.341 7.432 1.374 1.00 0.00 C ATOM 1815 C LYS B 44 -4.719 8.082 2.610 1.00 0.00 C ATOM 1816 O LYS B 44 -5.378 8.833 3.339 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.657 5.960 1.660 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.574 5.660 2.837 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.750 4.150 3.010 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.351 3.516 1.760 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.581 2.070 1.912 1.00 0.00 N ATOM 0 H LYS B 44 -4.263 6.552 -0.176 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.248 7.984 1.130 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.106 5.531 0.764 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.714 5.438 1.825 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.158 6.090 3.748 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.545 6.129 2.678 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.785 3.691 3.225 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.395 3.952 3.867 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.295 4.008 1.526 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.685 3.687 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.990 1.689 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.678 1.594 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.238 1.904 2.701 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.455 7.822 2.805 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.722 8.326 3.930 1.00 0.00 C ATOM 1837 C PHE B 45 -1.975 9.615 3.648 1.00 0.00 C ATOM 1838 O PHE B 45 -1.560 10.294 4.568 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.801 7.264 4.481 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.493 6.357 5.435 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.248 5.273 4.999 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.399 6.607 6.780 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.892 4.457 5.905 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.044 5.796 7.694 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.788 4.719 7.256 1.00 0.00 C ATOM 0 H PHE B 45 -2.898 7.244 2.175 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.462 8.582 4.688 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.392 6.678 3.658 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -0.959 7.741 4.982 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.330 5.069 3.942 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -1.815 7.446 7.128 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.475 3.617 5.559 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -2.966 6.005 8.751 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.288 4.082 7.970 1.00 0.00 H new ATOM 1855 N MET B 46 -1.859 9.993 2.390 1.00 0.00 N ATOM 1856 CA MET B 46 -1.153 11.224 2.037 1.00 0.00 C ATOM 1857 C MET B 46 -2.116 12.398 2.070 1.00 0.00 C ATOM 1858 O MET B 46 -1.800 13.502 1.611 1.00 0.00 O ATOM 1859 CB MET B 46 -0.516 11.163 0.652 1.00 0.00 C ATOM 1860 CG MET B 46 0.459 10.037 0.457 1.00 0.00 C ATOM 1861 SD MET B 46 1.647 10.377 -0.839 1.00 0.00 S ATOM 1862 CE MET B 46 2.577 11.659 -0.017 1.00 0.00 C ATOM 0 H MET B 46 -2.238 9.476 1.597 1.00 0.00 H new ATOM 0 HA MET B 46 -0.357 11.348 2.771 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.307 11.073 -0.093 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.004 12.106 0.461 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.988 9.853 1.392 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.087 9.125 0.215 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.567 11.735 -0.466 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.057 12.611 -0.123 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.676 11.416 1.041 1.00 0.00 H new ATOM 1872 N ASN B 47 -3.297 12.114 2.576 1.00 0.00 N ATOM 1873 CA ASN B 47 -4.385 13.062 2.773 1.00 0.00 C ATOM 1874 C ASN B 47 -5.114 13.413 1.482 1.00 0.00 C ATOM 1875 O ASN B 47 -4.959 14.507 0.909 1.00 0.00 O ATOM 1876 CB ASN B 47 -3.960 14.320 3.571 1.00 0.00 C ATOM 1877 CG ASN B 47 -5.116 15.278 3.885 1.00 0.00 C ATOM 1878 OD1 ASN B 47 -6.272 14.866 4.051 1.00 0.00 O ATOM 1879 ND2 ASN B 47 -4.816 16.554 3.962 1.00 0.00 N ATOM 0 H ASN B 47 -3.541 11.171 2.878 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.110 12.539 3.397 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -3.498 14.005 4.507 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.200 14.858 3.005 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -5.545 17.238 4.164 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -3.854 16.861 3.820 1.00 0.00 H new ATOM 1886 N VAL B 48 -5.809 12.437 0.959 1.00 0.00 N ATOM 1887 CA VAL B 48 -6.725 12.661 -0.109 1.00 0.00 C ATOM 1888 C VAL B 48 -8.083 12.385 0.451 1.00 0.00 C ATOM 1889 O VAL B 48 -8.253 11.461 1.268 1.00 0.00 O ATOM 1890 CB VAL B 48 -6.470 11.798 -1.391 1.00 0.00 C ATOM 1891 CG1 VAL B 48 -5.078 12.034 -1.954 1.00 0.00 C ATOM 1892 CG2 VAL B 48 -6.729 10.305 -1.165 1.00 0.00 C ATOM 0 H VAL B 48 -5.750 11.467 1.267 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.607 13.686 -0.460 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.196 12.132 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -4.936 11.419 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -4.966 13.085 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -4.332 11.767 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -6.536 9.758 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.069 9.936 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -7.767 10.157 -0.866 1.00 0.00 H new ATOM 1902 N LYS B 49 -9.016 13.177 0.108 1.00 0.00 N ATOM 1903 CA LYS B 49 -10.318 13.012 0.631 1.00 0.00 C ATOM 1904 C LYS B 49 -11.257 12.581 -0.445 1.00 0.00 C ATOM 1905 O LYS B 49 -11.818 13.403 -1.181 1.00 0.00 O ATOM 1906 CB LYS B 49 -10.800 14.268 1.346 1.00 0.00 C ATOM 1907 CG LYS B 49 -9.997 14.609 2.593 1.00 0.00 C ATOM 1908 CD LYS B 49 -10.521 15.875 3.251 1.00 0.00 C ATOM 1909 CE LYS B 49 -9.777 16.190 4.537 1.00 0.00 C ATOM 1910 NZ LYS B 49 -9.958 15.143 5.560 1.00 0.00 N ATOM 0 H LYS B 49 -8.906 13.957 -0.540 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.289 12.224 1.383 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.755 15.109 0.654 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -11.846 14.139 1.623 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.047 13.781 3.300 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.948 14.740 2.329 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.423 16.712 2.560 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.584 15.761 3.464 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.715 16.304 4.321 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.126 17.144 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.624 15.495 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.966 14.895 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.412 14.299 5.293 1.00 0.00 H new ATOM 1924 N ASP B 50 -11.361 11.297 -0.594 1.00 0.00 N ATOM 1925 CA ASP B 50 -12.263 10.725 -1.549 1.00 0.00 C ATOM 1926 C ASP B 50 -13.569 10.474 -0.805 1.00 0.00 C ATOM 1927 O ASP B 50 -13.580 10.400 0.434 1.00 0.00 O ATOM 1928 CB ASP B 50 -11.683 9.410 -2.120 1.00 0.00 C ATOM 1929 CG ASP B 50 -12.381 8.922 -3.386 1.00 0.00 C ATOM 1930 OD1 ASP B 50 -13.617 8.752 -3.395 1.00 0.00 O ATOM 1931 OD2 ASP B 50 -11.699 8.741 -4.421 1.00 0.00 O ATOM 0 H ASP B 50 -10.824 10.615 -0.058 1.00 0.00 H new ATOM 0 HA ASP B 50 -12.422 11.390 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -10.624 9.555 -2.334 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -11.751 8.634 -1.358 1.00 0.00 H new ATOM 1936 N LYS B 51 -14.635 10.292 -1.519 1.00 0.00 N ATOM 1937 CA LYS B 51 -15.950 10.154 -0.924 1.00 0.00 C ATOM 1938 C LYS B 51 -16.162 8.769 -0.350 1.00 0.00 C ATOM 1939 O LYS B 51 -17.135 8.504 0.349 1.00 0.00 O ATOM 1940 CB LYS B 51 -17.031 10.530 -1.920 1.00 0.00 C ATOM 1941 CG LYS B 51 -17.025 9.671 -3.178 1.00 0.00 C ATOM 1942 CD LYS B 51 -17.989 10.170 -4.257 1.00 0.00 C ATOM 1943 CE LYS B 51 -19.478 9.897 -3.969 1.00 0.00 C ATOM 1944 NZ LYS B 51 -20.022 10.605 -2.787 1.00 0.00 N ATOM 0 H LYS B 51 -14.630 10.233 -2.537 1.00 0.00 H new ATOM 0 HA LYS B 51 -16.016 10.850 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -18.004 10.445 -1.437 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -16.905 11.575 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -16.015 9.645 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -17.287 8.647 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -17.848 11.244 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -17.725 9.702 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -20.061 10.181 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -19.616 8.825 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -21.016 10.857 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -19.962 9.986 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -19.470 11.470 -2.616 1.00 0.00 H new ATOM 1958 N VAL B 52 -15.226 7.923 -0.607 1.00 0.00 N ATOM 1959 CA VAL B 52 -15.248 6.568 -0.090 1.00 0.00 C ATOM 1960 C VAL B 52 -14.775 6.541 1.361 1.00 0.00 C ATOM 1961 O VAL B 52 -14.955 5.557 2.065 1.00 0.00 O ATOM 1962 CB VAL B 52 -14.431 5.567 -0.963 1.00 0.00 C ATOM 1963 CG1 VAL B 52 -15.011 5.486 -2.368 1.00 0.00 C ATOM 1964 CG2 VAL B 52 -12.956 5.942 -1.019 1.00 0.00 C ATOM 0 H VAL B 52 -14.412 8.137 -1.183 1.00 0.00 H new ATOM 0 HA VAL B 52 -16.284 6.233 -0.132 1.00 0.00 H new ATOM 0 HB VAL B 52 -14.506 4.586 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -14.428 4.783 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -16.045 5.146 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -14.976 6.471 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -12.420 5.221 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -12.850 6.938 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -12.541 5.936 -0.011 1.00 0.00 H new ATOM 1974 N HIS B 53 -14.194 7.648 1.806 1.00 0.00 N ATOM 1975 CA HIS B 53 -13.750 7.781 3.191 1.00 0.00 C ATOM 1976 C HIS B 53 -14.882 8.358 4.019 1.00 0.00 C ATOM 1977 O HIS B 53 -14.893 8.246 5.254 1.00 0.00 O ATOM 1978 CB HIS B 53 -12.544 8.741 3.318 1.00 0.00 C ATOM 1979 CG HIS B 53 -11.285 8.352 2.595 1.00 0.00 C ATOM 1980 ND1 HIS B 53 -11.072 8.088 1.287 1.00 0.00 N flip ATOM 1981 CD2 HIS B 53 -10.047 8.306 3.193 1.00 0.00 C flip ATOM 1982 CE1 HIS B 53 -9.714 7.890 1.072 1.00 0.00 C flip ATOM 1983 NE2 HIS B 53 -9.145 8.037 2.254 1.00 0.00 N flip ATOM 0 H HIS B 53 -14.018 8.470 1.228 1.00 0.00 H new ATOM 0 HA HIS B 53 -13.456 6.791 3.539 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -12.852 9.722 2.958 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -12.307 8.850 4.376 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -11.795 8.041 0.570 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -9.843 8.461 4.242 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -9.226 7.664 0.135 1.00 0.00 H new ATOM 1991 N LYS B 54 -15.847 8.937 3.307 1.00 0.00 N ATOM 1992 CA LYS B 54 -16.948 9.705 3.879 1.00 0.00 C ATOM 1993 C LYS B 54 -16.430 10.762 4.829 1.00 0.00 C ATOM 1994 O LYS B 54 -16.448 10.607 6.059 1.00 0.00 O ATOM 1995 CB LYS B 54 -18.068 8.854 4.491 1.00 0.00 C ATOM 1996 CG LYS B 54 -18.786 7.981 3.469 1.00 0.00 C ATOM 1997 CD LYS B 54 -20.063 7.367 4.033 1.00 0.00 C ATOM 1998 CE LYS B 54 -19.799 6.426 5.194 1.00 0.00 C ATOM 1999 NZ LYS B 54 -18.994 5.255 4.797 1.00 0.00 N ATOM 0 H LYS B 54 -15.884 8.883 2.289 1.00 0.00 H new ATOM 0 HA LYS B 54 -17.432 10.209 3.042 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -17.648 8.219 5.271 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -18.793 9.511 4.971 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -19.029 8.578 2.590 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -18.117 7.186 3.139 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -20.730 8.164 4.362 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -20.580 6.824 3.242 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -19.282 6.967 5.986 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -20.749 6.087 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -18.969 4.570 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -19.420 4.809 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -18.025 5.560 4.572 1.00 0.00 H new ATOM 2013 N LEU B 55 -15.920 11.805 4.234 1.00 0.00 N ATOM 2014 CA LEU B 55 -15.269 12.875 4.935 1.00 0.00 C ATOM 2015 C LEU B 55 -16.210 13.638 5.852 1.00 0.00 C ATOM 2016 O LEU B 55 -17.400 13.819 5.550 1.00 0.00 O ATOM 2017 CB LEU B 55 -14.530 13.803 3.926 1.00 0.00 C ATOM 2018 CG LEU B 55 -15.346 14.392 2.739 1.00 0.00 C ATOM 2019 CD1 LEU B 55 -16.269 15.526 3.162 1.00 0.00 C ATOM 2020 CD2 LEU B 55 -14.420 14.842 1.624 1.00 0.00 C ATOM 0 H LEU B 55 -15.947 11.937 3.223 1.00 0.00 H new ATOM 0 HA LEU B 55 -14.524 12.436 5.598 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -14.108 14.637 4.487 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -13.693 13.243 3.510 1.00 0.00 H new ATOM 0 HG LEU B 55 -15.985 13.590 2.369 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -16.812 15.897 2.293 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -16.979 15.160 3.904 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -15.678 16.334 3.593 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -15.010 15.251 0.804 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -13.743 15.608 2.001 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -13.841 13.991 1.266 1.00 0.00 H new ATOM 2032 N GLU B 56 -15.704 14.010 6.985 1.00 0.00 N ATOM 2033 CA GLU B 56 -16.421 14.851 7.887 1.00 0.00 C ATOM 2034 C GLU B 56 -15.807 16.205 7.773 1.00 0.00 C ATOM 2035 O GLU B 56 -14.722 16.439 8.307 1.00 0.00 O ATOM 2036 CB GLU B 56 -16.294 14.372 9.321 1.00 0.00 C ATOM 2037 CG GLU B 56 -16.701 12.941 9.550 1.00 0.00 C ATOM 2038 CD GLU B 56 -16.697 12.606 11.005 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -17.732 12.827 11.669 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -15.671 12.167 11.528 1.00 0.00 O ATOM 0 H GLU B 56 -14.777 13.737 7.311 1.00 0.00 H new ATOM 0 HA GLU B 56 -17.482 14.848 7.636 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -15.259 14.495 9.640 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -16.902 15.014 9.958 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -17.696 12.772 9.138 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -16.019 12.277 9.019 1.00 0.00 H new ATOM 2047 N HIS B 57 -16.413 17.073 7.033 1.00 0.00 N ATOM 2048 CA HIS B 57 -15.820 18.360 6.836 1.00 0.00 C ATOM 2049 C HIS B 57 -16.871 19.448 6.960 1.00 0.00 C ATOM 2050 O HIS B 57 -16.958 20.099 8.003 1.00 0.00 O ATOM 2051 CB HIS B 57 -15.116 18.414 5.470 1.00 0.00 C ATOM 2052 CG HIS B 57 -14.107 19.518 5.316 1.00 0.00 C ATOM 2053 ND1 HIS B 57 -14.413 20.856 5.192 1.00 0.00 N ATOM 2054 CD2 HIS B 57 -12.760 19.443 5.271 1.00 0.00 C ATOM 2055 CE1 HIS B 57 -13.272 21.535 5.077 1.00 0.00 C ATOM 2056 NE2 HIS B 57 -12.231 20.721 5.118 1.00 0.00 N ATOM 0 H HIS B 57 -17.304 16.922 6.560 1.00 0.00 H new ATOM 0 HA HIS B 57 -15.070 18.531 7.609 1.00 0.00 H new ATOM 0 HB2 HIS B 57 -14.617 17.460 5.298 1.00 0.00 H new ATOM 0 HB3 HIS B 57 -15.872 18.523 4.693 1.00 0.00 H new ATOM 0 HD1 HIS B 57 -15.351 21.257 5.189 1.00 0.00 H new ATOM 0 HD2 HIS B 57 -12.183 18.533 5.343 1.00 0.00 H new ATOM 0 HE1 HIS B 57 -13.206 22.607 4.965 1.00 0.00 H new ATOM 2064 N HIS B 58 -17.710 19.589 5.913 1.00 0.00 N ATOM 2065 CA HIS B 58 -18.743 20.645 5.820 1.00 0.00 C ATOM 2066 C HIS B 58 -18.062 22.004 5.693 1.00 0.00 C ATOM 2067 O HIS B 58 -16.842 22.079 5.493 1.00 0.00 O ATOM 2068 CB HIS B 58 -19.713 20.651 7.038 1.00 0.00 C ATOM 2069 CG HIS B 58 -20.551 19.419 7.210 1.00 0.00 C ATOM 2070 ND1 HIS B 58 -20.431 18.550 8.278 1.00 0.00 N ATOM 2071 CD2 HIS B 58 -21.578 18.954 6.465 1.00 0.00 C ATOM 2072 CE1 HIS B 58 -21.367 17.609 8.158 1.00 0.00 C ATOM 2073 NE2 HIS B 58 -22.097 17.807 7.066 1.00 0.00 N ATOM 0 H HIS B 58 -17.691 18.970 5.102 1.00 0.00 H new ATOM 0 HA HIS B 58 -19.347 20.435 4.937 1.00 0.00 H new ATOM 0 HB2 HIS B 58 -19.127 20.798 7.945 1.00 0.00 H new ATOM 0 HB3 HIS B 58 -20.378 21.510 6.945 1.00 0.00 H new ATOM 0 HD2 HIS B 58 -21.939 19.399 5.550 1.00 0.00 H new ATOM 0 HE1 HIS B 58 -21.512 16.796 8.854 1.00 0.00 H new ATOM 0 HE2 HIS B 58 -22.876 17.238 6.735 1.00 0.00 H new ATOM 2081 N HIS B 59 -18.826 23.065 5.749 1.00 0.00 N ATOM 2082 CA HIS B 59 -18.239 24.391 5.771 1.00 0.00 C ATOM 2083 C HIS B 59 -18.005 24.790 7.194 1.00 0.00 C ATOM 2084 O HIS B 59 -16.996 25.410 7.504 1.00 0.00 O ATOM 2085 CB HIS B 59 -19.106 25.433 5.067 1.00 0.00 C ATOM 2086 CG HIS B 59 -19.110 25.335 3.576 1.00 0.00 C ATOM 2087 ND1 HIS B 59 -18.605 26.313 2.755 1.00 0.00 N ATOM 2088 CD2 HIS B 59 -19.586 24.369 2.757 1.00 0.00 C ATOM 2089 CE1 HIS B 59 -18.780 25.932 1.499 1.00 0.00 C ATOM 2090 NE2 HIS B 59 -19.374 24.750 1.435 1.00 0.00 N ATOM 0 H HIS B 59 -19.845 23.044 5.780 1.00 0.00 H new ATOM 0 HA HIS B 59 -17.298 24.351 5.223 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -20.130 25.337 5.427 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -18.760 26.427 5.352 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -20.055 23.450 3.077 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -18.478 26.510 0.638 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -19.623 24.229 0.594 1.00 0.00 H new ATOM 2098 N HIS B 60 -18.986 24.435 8.051 1.00 0.00 N ATOM 2099 CA HIS B 60 -19.009 24.611 9.543 1.00 0.00 C ATOM 2100 C HIS B 60 -18.816 26.054 10.078 1.00 0.00 C ATOM 2101 O HIS B 60 -19.270 26.377 11.183 1.00 0.00 O ATOM 2102 CB HIS B 60 -18.167 23.547 10.334 1.00 0.00 C ATOM 2103 CG HIS B 60 -16.662 23.539 10.126 1.00 0.00 C ATOM 2104 ND1 HIS B 60 -15.767 24.079 11.020 1.00 0.00 N ATOM 2105 CD2 HIS B 60 -15.908 22.987 9.138 1.00 0.00 C ATOM 2106 CE1 HIS B 60 -14.537 23.844 10.569 1.00 0.00 C ATOM 2107 NE2 HIS B 60 -14.560 23.186 9.425 1.00 0.00 N ATOM 0 H HIS B 60 -19.840 23.990 7.713 1.00 0.00 H new ATOM 0 HA HIS B 60 -20.055 24.401 9.767 1.00 0.00 H new ATOM 0 HB2 HIS B 60 -18.358 23.692 11.397 1.00 0.00 H new ATOM 0 HB3 HIS B 60 -18.546 22.559 10.074 1.00 0.00 H new ATOM 0 HD2 HIS B 60 -16.294 22.475 8.269 1.00 0.00 H new ATOM 0 HE1 HIS B 60 -13.634 24.153 11.075 1.00 0.00 H new ATOM 0 HE2 HIS B 60 -13.759 22.886 8.869 1.00 0.00 H new ATOM 2115 N HIS B 61 -18.164 26.882 9.320 1.00 0.00 N ATOM 2116 CA HIS B 61 -17.958 28.261 9.658 1.00 0.00 C ATOM 2117 C HIS B 61 -19.147 29.055 9.186 1.00 0.00 C ATOM 2118 O HIS B 61 -19.462 29.073 7.986 1.00 0.00 O ATOM 2119 CB HIS B 61 -16.685 28.806 8.996 1.00 0.00 C ATOM 2120 CG HIS B 61 -15.425 28.098 9.387 1.00 0.00 C ATOM 2121 ND1 HIS B 61 -14.770 27.195 8.581 1.00 0.00 N ATOM 2122 CD2 HIS B 61 -14.681 28.199 10.512 1.00 0.00 C ATOM 2123 CE1 HIS B 61 -13.684 26.787 9.215 1.00 0.00 C ATOM 2124 NE2 HIS B 61 -13.572 27.363 10.400 1.00 0.00 N ATOM 0 H HIS B 61 -17.750 26.613 8.428 1.00 0.00 H new ATOM 0 HA HIS B 61 -17.843 28.348 10.738 1.00 0.00 H new ATOM 0 HB2 HIS B 61 -16.800 28.744 7.914 1.00 0.00 H new ATOM 0 HB3 HIS B 61 -16.585 29.862 9.246 1.00 0.00 H new ATOM 0 HD2 HIS B 61 -14.910 28.827 11.361 1.00 0.00 H new ATOM 0 HE1 HIS B 61 -12.978 26.074 8.816 1.00 0.00 H new ATOM 0 HE2 HIS B 61 -12.831 27.225 11.087 1.00 0.00 H new ATOM 2132 N HIS B 62 -19.822 29.662 10.105 1.00 0.00 N ATOM 2133 CA HIS B 62 -20.974 30.463 9.808 1.00 0.00 C ATOM 2134 C HIS B 62 -20.831 31.786 10.501 1.00 0.00 C ATOM 2135 O HIS B 62 -20.316 32.734 9.882 1.00 0.00 O ATOM 2136 CB HIS B 62 -22.285 29.763 10.219 1.00 0.00 C ATOM 2137 CG HIS B 62 -22.593 28.512 9.436 1.00 0.00 C ATOM 2138 ND1 HIS B 62 -23.287 28.501 8.244 1.00 0.00 N ATOM 2139 CD2 HIS B 62 -22.288 27.217 9.695 1.00 0.00 C ATOM 2140 CE1 HIS B 62 -23.381 27.237 7.827 1.00 0.00 C ATOM 2141 NE2 HIS B 62 -22.791 26.411 8.674 1.00 0.00 N ATOM 2142 OXT HIS B 62 -21.172 31.890 11.686 1.00 0.00 O ATOM 0 H HIS B 62 -19.590 29.618 11.097 1.00 0.00 H new ATOM 0 HA HIS B 62 -21.030 30.614 8.730 1.00 0.00 H new ATOM 0 HB2 HIS B 62 -22.232 29.511 11.278 1.00 0.00 H new ATOM 0 HB3 HIS B 62 -23.111 30.465 10.100 1.00 0.00 H new ATOM 0 HD2 HIS B 62 -21.741 26.864 10.557 1.00 0.00 H new ATOM 0 HE1 HIS B 62 -23.874 26.929 6.917 1.00 0.00 H new ATOM 0 HE2 HIS B 62 -22.719 25.396 8.597 1.00 0.00 H new TER 2150 HIS B 62