USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 hydrogens (96 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 NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 98 HEC HAB : A 98 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 128 HEC HAC : A 128 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 158 HEC HAC : A 158 HEC CAC : A 65 CYS SG :(H bumps) USER MOD Set 1.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 HEC O2D : rot -140:sc= -0.124 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0.36 USER MOD Set 2.2: A 14 THR OG1 : rot 62:sc= 0.38 USER MOD Single : A 1 ALA N :NH3+ -144:sc= 0.0615 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.72! C(o=-2.7!,f=-17!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.586 K(o=-0.59,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -15.2! C(o=-15!,f=-29!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 40:sc= -35.4! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= 0.334 (180deg=-0.92) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0655 (180deg=-0.532) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 160:sc= -22.9! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.747 K(o=-0.75,f=-3.6!) USER MOD Single : A 57 ASN : amide:sc=-0.00264 X(o=-0.0026,f=0.23) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00169 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -19.4! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2D : rot 170:sc= -0.269 USER MOD Single : A 158 HEC O2A : rot 166:sc= 0 USER MOD Single : A 158 HEC O2D : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.592 -10.162 10.006 1.00 10.00 N ATOM 2 CA ALA A 1 5.182 -8.872 9.480 1.00 10.00 C ATOM 3 C ALA A 1 6.404 -8.140 8.923 1.00 10.00 C ATOM 4 O ALA A 1 7.323 -8.770 8.400 1.00 10.00 O ATOM 5 CB ALA A 1 4.474 -8.073 10.577 1.00 10.00 C ATOM 0 H1 ALA A 1 4.848 -10.865 9.821 1.00 10.00 H new ATOM 0 H2 ALA A 1 6.474 -10.461 9.543 1.00 10.00 H new ATOM 0 H3 ALA A 1 5.748 -10.085 11.031 1.00 10.00 H new ATOM 0 HA ALA A 1 4.474 -9.001 8.662 1.00 10.00 H new ATOM 0 HB1 ALA A 1 4.167 -7.105 10.181 1.00 10.00 H new ATOM 0 HB2 ALA A 1 3.596 -8.621 10.917 1.00 10.00 H new ATOM 0 HB3 ALA A 1 5.155 -7.923 11.415 1.00 10.00 H new ATOM 11 N ASP A 2 6.376 -6.822 9.052 1.00 10.00 N ATOM 12 CA ASP A 2 7.472 -5.998 8.569 1.00 10.00 C ATOM 13 C ASP A 2 7.291 -5.748 7.070 1.00 10.00 C ATOM 14 O ASP A 2 7.494 -4.631 6.595 1.00 10.00 O ATOM 15 CB ASP A 2 8.818 -6.697 8.773 1.00 10.00 C ATOM 16 CG ASP A 2 9.960 -5.781 9.219 1.00 10.00 C ATOM 17 OD1 ASP A 2 10.021 -5.504 10.436 1.00 10.00 O ATOM 18 OD2 ASP A 2 10.744 -5.381 8.333 1.00 10.00 O ATOM 0 H ASP A 2 5.611 -6.303 9.484 1.00 10.00 H new ATOM 0 HA ASP A 2 7.464 -5.062 9.128 1.00 10.00 H new ATOM 0 HB2 ASP A 2 8.693 -7.485 9.516 1.00 10.00 H new ATOM 0 HB3 ASP A 2 9.104 -7.182 7.840 1.00 10.00 H new ATOM 23 N VAL A 3 6.915 -6.805 6.367 1.00 10.00 N ATOM 24 CA VAL A 3 6.706 -6.714 4.932 1.00 10.00 C ATOM 25 C VAL A 3 5.705 -7.786 4.497 1.00 10.00 C ATOM 26 O VAL A 3 6.043 -8.967 4.435 1.00 10.00 O ATOM 27 CB VAL A 3 8.046 -6.814 4.200 1.00 10.00 C ATOM 28 CG1 VAL A 3 7.864 -7.411 2.803 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.735 -5.451 4.128 1.00 10.00 C ATOM 0 H VAL A 3 6.749 -7.730 6.764 1.00 10.00 H new ATOM 0 HA VAL A 3 6.279 -5.746 4.669 1.00 10.00 H new ATOM 0 HB VAL A 3 8.690 -7.484 4.770 1.00 10.00 H new ATOM 0 HG11 VAL A 3 8.831 -7.471 2.304 1.00 10.00 H new ATOM 0 HG12 VAL A 3 7.436 -8.410 2.887 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.194 -6.778 2.221 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.685 -5.551 3.603 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.096 -4.748 3.593 1.00 10.00 H new ATOM 0 HG23 VAL A 3 8.915 -5.081 5.137 1.00 10.00 H new ATOM 39 N VAL A 4 4.493 -7.337 4.206 1.00 10.00 N ATOM 40 CA VAL A 4 3.441 -8.243 3.779 1.00 10.00 C ATOM 41 C VAL A 4 3.590 -8.521 2.282 1.00 10.00 C ATOM 42 O VAL A 4 3.035 -7.798 1.455 1.00 10.00 O ATOM 43 CB VAL A 4 2.072 -7.668 4.147 1.00 10.00 C ATOM 44 CG1 VAL A 4 0.986 -8.193 3.208 1.00 10.00 C ATOM 45 CG2 VAL A 4 1.727 -7.965 5.607 1.00 10.00 C ATOM 0 H VAL A 4 4.216 -6.357 4.258 1.00 10.00 H new ATOM 0 HA VAL A 4 3.527 -9.198 4.297 1.00 10.00 H new ATOM 0 HB VAL A 4 2.121 -6.586 4.029 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.023 -7.769 3.492 1.00 10.00 H new ATOM 0 HG12 VAL A 4 1.221 -7.906 2.183 1.00 10.00 H new ATOM 0 HG13 VAL A 4 0.938 -9.280 3.278 1.00 10.00 H new ATOM 0 HG21 VAL A 4 0.749 -7.545 5.842 1.00 10.00 H new ATOM 0 HG22 VAL A 4 1.706 -9.043 5.764 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.479 -7.518 6.257 1.00 10.00 H new ATOM 55 N THR A 5 4.342 -9.569 1.979 1.00 10.00 N ATOM 56 CA THR A 5 4.570 -9.950 0.595 1.00 10.00 C ATOM 57 C THR A 5 3.343 -10.666 0.029 1.00 10.00 C ATOM 58 O THR A 5 2.883 -11.658 0.595 1.00 10.00 O ATOM 59 CB THR A 5 5.844 -10.795 0.542 1.00 10.00 C ATOM 60 OG1 THR A 5 6.898 -9.835 0.557 1.00 10.00 O ATOM 61 CG2 THR A 5 6.014 -11.515 -0.797 1.00 10.00 C ATOM 0 H THR A 5 4.801 -10.166 2.667 1.00 10.00 H new ATOM 0 HA THR A 5 4.716 -9.074 -0.037 1.00 10.00 H new ATOM 0 HB THR A 5 5.827 -11.528 1.348 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.762 -10.297 0.527 1.00 10.00 H new ATOM 0 HG21 THR A 5 6.933 -12.100 -0.781 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.165 -12.178 -0.964 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.065 -10.781 -1.601 1.00 10.00 H new ATOM 69 N TYR A 6 2.847 -10.137 -1.079 1.00 10.00 N ATOM 70 CA TYR A 6 1.680 -10.713 -1.727 1.00 10.00 C ATOM 71 C TYR A 6 2.044 -11.292 -3.096 1.00 10.00 C ATOM 72 O TYR A 6 2.580 -10.586 -3.950 1.00 10.00 O ATOM 73 CB TYR A 6 0.692 -9.562 -1.919 1.00 10.00 C ATOM 74 CG TYR A 6 -0.496 -9.592 -0.956 1.00 10.00 C ATOM 75 CD1 TYR A 6 -0.303 -9.330 0.385 1.00 10.00 C ATOM 76 CD2 TYR A 6 -1.760 -9.883 -1.427 1.00 10.00 C ATOM 77 CE1 TYR A 6 -1.421 -9.360 1.292 1.00 10.00 C ATOM 78 CE2 TYR A 6 -2.878 -9.913 -0.520 1.00 10.00 C ATOM 79 CZ TYR A 6 -2.653 -9.650 0.795 1.00 10.00 C ATOM 80 OH TYR A 6 -3.710 -9.677 1.651 1.00 10.00 O ATOM 0 H TYR A 6 3.232 -9.315 -1.545 1.00 10.00 H new ATOM 0 HA TYR A 6 1.266 -11.522 -1.124 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.222 -8.618 -1.796 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.317 -9.586 -2.942 1.00 10.00 H new ATOM 0 HD1 TYR A 6 0.686 -9.103 0.754 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.911 -10.088 -2.477 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -1.284 -9.157 2.344 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.872 -10.139 -0.876 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.527 -9.897 1.156 1.00 10.00 H new ATOM 90 N GLU A 7 1.739 -12.570 -3.262 1.00 10.00 N ATOM 91 CA GLU A 7 2.027 -13.251 -4.513 1.00 10.00 C ATOM 92 C GLU A 7 0.862 -13.080 -5.491 1.00 10.00 C ATOM 93 O GLU A 7 -0.289 -13.339 -5.143 1.00 10.00 O ATOM 94 CB GLU A 7 2.328 -14.732 -4.275 1.00 10.00 C ATOM 95 CG GLU A 7 3.769 -14.928 -3.801 1.00 10.00 C ATOM 96 CD GLU A 7 4.619 -15.590 -4.889 1.00 10.00 C ATOM 97 OE1 GLU A 7 4.462 -15.179 -6.059 1.00 10.00 O ATOM 98 OE2 GLU A 7 5.405 -16.491 -4.525 1.00 10.00 O ATOM 0 H GLU A 7 1.295 -13.152 -2.551 1.00 10.00 H new ATOM 0 HA GLU A 7 2.916 -12.799 -4.953 1.00 10.00 H new ATOM 0 HB2 GLU A 7 1.639 -15.132 -3.531 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.164 -15.293 -5.195 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.202 -13.964 -3.533 1.00 10.00 H new ATOM 0 HG3 GLU A 7 3.779 -15.544 -2.902 1.00 10.00 H new ATOM 105 N ASN A 8 1.202 -12.645 -6.695 1.00 10.00 N ATOM 106 CA ASN A 8 0.200 -12.436 -7.727 1.00 10.00 C ATOM 107 C ASN A 8 0.762 -12.883 -9.077 1.00 10.00 C ATOM 108 O ASN A 8 1.937 -13.233 -9.179 1.00 10.00 O ATOM 109 CB ASN A 8 -0.177 -10.957 -7.837 1.00 10.00 C ATOM 110 CG ASN A 8 1.062 -10.092 -8.083 1.00 10.00 C ATOM 111 OD1 ASN A 8 1.801 -10.279 -9.035 1.00 10.00 O ATOM 112 ND2 ASN A 8 1.246 -9.140 -7.173 1.00 10.00 N ATOM 0 H ASN A 8 2.158 -12.431 -6.980 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.684 -13.015 -7.460 1.00 10.00 H new ATOM 0 HB2 ASN A 8 -0.889 -10.819 -8.651 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.673 -10.635 -6.921 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.045 -8.511 -7.248 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.588 -9.039 -6.400 1.00 10.00 H new ATOM 119 N LYS A 9 -0.102 -12.855 -10.080 1.00 10.00 N ATOM 120 CA LYS A 9 0.294 -13.253 -11.421 1.00 10.00 C ATOM 121 C LYS A 9 0.714 -12.014 -12.213 1.00 10.00 C ATOM 122 O LYS A 9 0.863 -12.072 -13.432 1.00 10.00 O ATOM 123 CB LYS A 9 -0.820 -14.062 -12.090 1.00 10.00 C ATOM 124 CG LYS A 9 -0.418 -15.532 -12.234 1.00 10.00 C ATOM 125 CD LYS A 9 -0.013 -15.852 -13.673 1.00 10.00 C ATOM 126 CE LYS A 9 -0.079 -17.357 -13.940 1.00 10.00 C ATOM 127 NZ LYS A 9 -0.857 -17.633 -15.169 1.00 10.00 N ATOM 0 H LYS A 9 -1.075 -12.563 -9.992 1.00 10.00 H new ATOM 0 HA LYS A 9 1.159 -13.915 -11.382 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.734 -13.987 -11.500 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.039 -13.643 -13.072 1.00 10.00 H new ATOM 0 HG2 LYS A 9 0.411 -15.753 -11.562 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -1.249 -16.171 -11.936 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -0.672 -15.327 -14.365 1.00 10.00 H new ATOM 0 HD3 LYS A 9 0.998 -15.490 -13.859 1.00 10.00 H new ATOM 0 HE2 LYS A 9 0.929 -17.758 -14.043 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -0.538 -17.863 -13.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -0.892 -18.659 -15.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -1.824 -17.268 -15.057 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -0.402 -17.166 -15.980 1.00 10.00 H new ATOM 141 N LYS A 10 0.894 -10.919 -11.487 1.00 10.00 N ATOM 142 CA LYS A 10 1.295 -9.668 -12.106 1.00 10.00 C ATOM 143 C LYS A 10 2.392 -9.015 -11.264 1.00 10.00 C ATOM 144 O LYS A 10 2.152 -8.010 -10.596 1.00 10.00 O ATOM 145 CB LYS A 10 0.077 -8.769 -12.334 1.00 10.00 C ATOM 146 CG LYS A 10 0.437 -7.570 -13.213 1.00 10.00 C ATOM 147 CD LYS A 10 0.081 -7.838 -14.677 1.00 10.00 C ATOM 148 CE LYS A 10 1.203 -8.602 -15.384 1.00 10.00 C ATOM 149 NZ LYS A 10 1.508 -7.983 -16.693 1.00 10.00 N ATOM 0 H LYS A 10 0.769 -10.873 -10.476 1.00 10.00 H new ATOM 0 HA LYS A 10 1.718 -9.850 -13.094 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.720 -9.344 -12.805 1.00 10.00 H new ATOM 0 HB3 LYS A 10 -0.306 -8.420 -11.375 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -0.093 -6.685 -12.862 1.00 10.00 H new ATOM 0 HG3 LYS A 10 1.503 -7.358 -13.127 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -0.844 -8.412 -14.731 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -0.100 -6.893 -15.190 1.00 10.00 H new ATOM 0 HE2 LYS A 10 2.097 -8.606 -14.760 1.00 10.00 H new ATOM 0 HE3 LYS A 10 0.909 -9.642 -15.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 2.271 -8.514 -17.159 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 0.658 -8.001 -17.292 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 1.809 -6.998 -16.549 1.00 10.00 H new ATOM 163 N GLY A 11 3.573 -9.612 -11.323 1.00 10.00 N ATOM 164 CA GLY A 11 4.708 -9.102 -10.573 1.00 10.00 C ATOM 165 C GLY A 11 4.668 -9.583 -9.121 1.00 10.00 C ATOM 166 O GLY A 11 4.558 -10.780 -8.862 1.00 10.00 O ATOM 0 H GLY A 11 3.769 -10.445 -11.879 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.635 -9.430 -11.043 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.705 -8.012 -10.599 1.00 10.00 H new ATOM 170 N ASN A 12 4.759 -8.624 -8.212 1.00 10.00 N ATOM 171 CA ASN A 12 4.734 -8.933 -6.793 1.00 10.00 C ATOM 172 C ASN A 12 4.711 -7.631 -5.990 1.00 10.00 C ATOM 173 O ASN A 12 5.619 -6.810 -6.106 1.00 10.00 O ATOM 174 CB ASN A 12 5.978 -9.721 -6.378 1.00 10.00 C ATOM 175 CG ASN A 12 5.593 -11.056 -5.735 1.00 10.00 C ATOM 176 OD1 ASN A 12 4.974 -11.113 -4.686 1.00 10.00 O ATOM 177 ND2 ASN A 12 5.995 -12.123 -6.421 1.00 10.00 N ATOM 0 H ASN A 12 4.850 -7.632 -8.431 1.00 10.00 H new ATOM 0 HA ASN A 12 3.845 -9.532 -6.596 1.00 10.00 H new ATOM 0 HB2 ASN A 12 6.606 -9.901 -7.250 1.00 10.00 H new ATOM 0 HB3 ASN A 12 6.568 -9.132 -5.676 1.00 10.00 H new ATOM 0 HD21 ASN A 12 5.788 -13.060 -6.074 1.00 10.00 H new ATOM 0 HD22 ASN A 12 6.510 -12.004 -7.293 1.00 10.00 H new ATOM 184 N VAL A 13 3.662 -7.482 -5.194 1.00 10.00 N ATOM 185 CA VAL A 13 3.509 -6.293 -4.373 1.00 10.00 C ATOM 186 C VAL A 13 4.054 -6.572 -2.972 1.00 10.00 C ATOM 187 O VAL A 13 3.301 -6.937 -2.070 1.00 10.00 O ATOM 188 CB VAL A 13 2.046 -5.846 -4.367 1.00 10.00 C ATOM 189 CG1 VAL A 13 1.115 -7.019 -4.051 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.828 -4.693 -3.385 1.00 10.00 C ATOM 0 H VAL A 13 2.910 -8.165 -5.100 1.00 10.00 H new ATOM 0 HA VAL A 13 4.086 -5.466 -4.787 1.00 10.00 H new ATOM 0 HB VAL A 13 1.803 -5.485 -5.366 1.00 10.00 H new ATOM 0 HG11 VAL A 13 0.081 -6.674 -4.053 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.240 -7.796 -4.805 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.360 -7.424 -3.069 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.780 -4.395 -3.401 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.098 -5.015 -2.380 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.450 -3.846 -3.674 1.00 10.00 H new ATOM 200 N THR A 14 5.360 -6.390 -2.833 1.00 10.00 N ATOM 201 CA THR A 14 6.015 -6.618 -1.556 1.00 10.00 C ATOM 202 C THR A 14 5.734 -5.460 -0.598 1.00 10.00 C ATOM 203 O THR A 14 6.618 -4.652 -0.316 1.00 10.00 O ATOM 204 CB THR A 14 7.505 -6.838 -1.822 1.00 10.00 C ATOM 205 OG1 THR A 14 8.025 -7.255 -0.563 1.00 10.00 O ATOM 206 CG2 THR A 14 8.247 -5.533 -2.118 1.00 10.00 C ATOM 0 H THR A 14 5.981 -6.088 -3.583 1.00 10.00 H new ATOM 0 HA THR A 14 5.623 -7.508 -1.064 1.00 10.00 H new ATOM 0 HB THR A 14 7.626 -7.522 -2.662 1.00 10.00 H new ATOM 0 HG1 THR A 14 7.595 -8.093 -0.293 1.00 10.00 H new ATOM 0 HG21 THR A 14 9.300 -5.746 -2.299 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.815 -5.061 -3.001 1.00 10.00 H new ATOM 0 HG23 THR A 14 8.155 -4.860 -1.265 1.00 10.00 H new ATOM 214 N PHE A 15 4.497 -5.413 -0.122 1.00 10.00 N ATOM 215 CA PHE A 15 4.089 -4.366 0.799 1.00 10.00 C ATOM 216 C PHE A 15 5.115 -4.190 1.921 1.00 10.00 C ATOM 217 O PHE A 15 6.091 -4.936 1.996 1.00 10.00 O ATOM 218 CB PHE A 15 2.755 -4.802 1.409 1.00 10.00 C ATOM 219 CG PHE A 15 1.891 -3.643 1.908 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.791 -2.504 1.173 1.00 10.00 C ATOM 221 CD2 PHE A 15 1.221 -3.753 3.087 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.989 -1.427 1.638 1.00 10.00 C ATOM 223 CE2 PHE A 15 0.418 -2.678 3.550 1.00 10.00 C ATOM 224 CZ PHE A 15 0.320 -1.538 2.816 1.00 10.00 C ATOM 0 H PHE A 15 3.765 -6.083 -0.357 1.00 10.00 H new ATOM 0 HA PHE A 15 4.004 -3.417 0.269 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.194 -5.366 0.664 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.951 -5.479 2.240 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.321 -2.418 0.236 1.00 10.00 H new ATOM 0 HD2 PHE A 15 1.300 -4.658 3.671 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.911 -0.521 1.056 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -0.115 -2.766 4.485 1.00 10.00 H new ATOM 0 HZ PHE A 15 -0.290 -0.720 3.169 1.00 10.00 H new ATOM 234 N ASP A 16 4.860 -3.201 2.763 1.00 10.00 N ATOM 235 CA ASP A 16 5.750 -2.918 3.877 1.00 10.00 C ATOM 236 C ASP A 16 4.922 -2.465 5.081 1.00 10.00 C ATOM 237 O ASP A 16 4.147 -1.515 4.986 1.00 10.00 O ATOM 238 CB ASP A 16 6.730 -1.795 3.527 1.00 10.00 C ATOM 239 CG ASP A 16 7.197 -1.776 2.071 1.00 10.00 C ATOM 240 OD1 ASP A 16 8.145 -2.530 1.768 1.00 10.00 O ATOM 241 OD2 ASP A 16 6.594 -1.005 1.292 1.00 10.00 O ATOM 0 H ASP A 16 4.050 -2.585 2.697 1.00 10.00 H new ATOM 0 HA ASP A 16 6.308 -3.826 4.103 1.00 10.00 H new ATOM 0 HB2 ASP A 16 6.260 -0.838 3.755 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.604 -1.882 4.172 1.00 10.00 H new ATOM 246 N HIS A 17 5.116 -3.167 6.189 1.00 10.00 N ATOM 247 CA HIS A 17 4.398 -2.849 7.411 1.00 10.00 C ATOM 248 C HIS A 17 5.277 -1.979 8.312 1.00 10.00 C ATOM 249 O HIS A 17 4.904 -0.859 8.656 1.00 10.00 O ATOM 250 CB HIS A 17 3.917 -4.124 8.105 1.00 10.00 C ATOM 251 CG HIS A 17 2.529 -4.017 8.694 1.00 10.00 C ATOM 252 ND1 HIS A 17 2.203 -4.520 9.940 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.390 -3.459 8.193 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.922 -4.273 10.170 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.420 -3.614 9.085 1.00 10.00 N ATOM 0 H HIS A 17 5.760 -3.954 6.265 1.00 10.00 H new ATOM 0 HA HIS A 17 3.503 -2.275 7.172 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.934 -4.944 7.388 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.619 -4.380 8.899 1.00 10.00 H new ATOM 0 HD1 HIS A 17 2.841 -5.000 10.575 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.294 -2.973 7.233 1.00 10.00 H new ATOM 0 HE1 HIS A 17 0.372 -4.545 11.059 1.00 10.00 H new ATOM 263 N LYS A 18 6.430 -2.528 8.667 1.00 10.00 N ATOM 264 CA LYS A 18 7.366 -1.816 9.522 1.00 10.00 C ATOM 265 C LYS A 18 8.176 -0.834 8.675 1.00 10.00 C ATOM 266 O LYS A 18 8.431 0.294 9.099 1.00 10.00 O ATOM 267 CB LYS A 18 8.228 -2.804 10.312 1.00 10.00 C ATOM 268 CG LYS A 18 8.753 -2.166 11.599 1.00 10.00 C ATOM 269 CD LYS A 18 7.869 -2.531 12.793 1.00 10.00 C ATOM 270 CE LYS A 18 8.000 -1.494 13.910 1.00 10.00 C ATOM 271 NZ LYS A 18 6.684 -0.890 14.214 1.00 10.00 N ATOM 0 H LYS A 18 6.737 -3.457 8.378 1.00 10.00 H new ATOM 0 HA LYS A 18 6.831 -1.229 10.268 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.642 -3.691 10.554 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.066 -3.134 9.697 1.00 10.00 H new ATOM 0 HG2 LYS A 18 9.775 -2.499 11.783 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.786 -1.083 11.485 1.00 10.00 H new ATOM 0 HD2 LYS A 18 6.829 -2.597 12.473 1.00 10.00 H new ATOM 0 HD3 LYS A 18 8.149 -3.514 13.170 1.00 10.00 H new ATOM 0 HE2 LYS A 18 8.406 -1.965 14.805 1.00 10.00 H new ATOM 0 HE3 LYS A 18 8.703 -0.717 13.612 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 6.791 -0.189 14.974 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 6.311 -0.424 13.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 6.023 -1.633 14.519 1.00 10.00 H new ATOM 285 N ALA A 19 8.559 -1.295 7.494 1.00 10.00 N ATOM 286 CA ALA A 19 9.335 -0.470 6.583 1.00 10.00 C ATOM 287 C ALA A 19 8.569 0.822 6.293 1.00 10.00 C ATOM 288 O ALA A 19 9.164 1.894 6.200 1.00 10.00 O ATOM 289 CB ALA A 19 9.644 -1.264 5.313 1.00 10.00 C ATOM 0 H ALA A 19 8.346 -2.230 7.146 1.00 10.00 H new ATOM 0 HA ALA A 19 10.288 -0.193 7.033 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.226 -0.645 4.630 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.215 -2.156 5.571 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.711 -1.558 4.832 1.00 10.00 H new ATOM 295 N HIS A 20 7.259 0.677 6.158 1.00 10.00 N ATOM 296 CA HIS A 20 6.404 1.819 5.879 1.00 10.00 C ATOM 297 C HIS A 20 6.258 2.670 7.143 1.00 10.00 C ATOM 298 O HIS A 20 6.721 3.810 7.186 1.00 10.00 O ATOM 299 CB HIS A 20 5.059 1.366 5.312 1.00 10.00 C ATOM 300 CG HIS A 20 5.035 1.248 3.807 1.00 10.00 C ATOM 301 ND1 HIS A 20 4.342 0.251 3.143 1.00 10.00 N ATOM 302 CD2 HIS A 20 5.626 2.013 2.843 1.00 10.00 C ATOM 303 CE1 HIS A 20 4.515 0.417 1.840 1.00 10.00 C ATOM 304 NE2 HIS A 20 5.311 1.509 1.657 1.00 10.00 N ATOM 0 H HIS A 20 6.769 -0.214 6.237 1.00 10.00 H new ATOM 0 HA HIS A 20 6.863 2.443 5.112 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.800 0.400 5.746 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.289 2.072 5.623 1.00 10.00 H new ATOM 0 HD1 HIS A 20 3.791 -0.487 3.582 1.00 10.00 H new ATOM 0 HD2 HIS A 20 6.245 2.881 3.016 1.00 10.00 H new ATOM 0 HE1 HIS A 20 4.099 -0.203 1.060 1.00 10.00 H new ATOM 312 N ALA A 21 5.614 2.085 8.142 1.00 10.00 N ATOM 313 CA ALA A 21 5.401 2.775 9.402 1.00 10.00 C ATOM 314 C ALA A 21 6.603 3.674 9.696 1.00 10.00 C ATOM 315 O ALA A 21 6.443 4.796 10.173 1.00 10.00 O ATOM 316 CB ALA A 21 5.155 1.750 10.510 1.00 10.00 C ATOM 0 H ALA A 21 5.232 1.140 8.104 1.00 10.00 H new ATOM 0 HA ALA A 21 4.519 3.413 9.346 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.995 2.268 11.456 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.273 1.157 10.268 1.00 10.00 H new ATOM 0 HB3 ALA A 21 6.021 1.094 10.597 1.00 10.00 H new ATOM 322 N GLU A 22 7.782 3.147 9.398 1.00 10.00 N ATOM 323 CA GLU A 22 9.012 3.888 9.624 1.00 10.00 C ATOM 324 C GLU A 22 8.816 5.363 9.270 1.00 10.00 C ATOM 325 O GLU A 22 9.221 6.246 10.023 1.00 10.00 O ATOM 326 CB GLU A 22 10.171 3.283 8.830 1.00 10.00 C ATOM 327 CG GLU A 22 10.524 1.889 9.354 1.00 10.00 C ATOM 328 CD GLU A 22 11.969 1.841 9.855 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.850 1.550 9.019 1.00 10.00 O ATOM 330 OE2 GLU A 22 12.159 2.098 11.064 1.00 10.00 O ATOM 0 H GLU A 22 7.912 2.216 9.002 1.00 10.00 H new ATOM 0 HA GLU A 22 9.265 3.819 10.682 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.902 3.222 7.776 1.00 10.00 H new ATOM 0 HB3 GLU A 22 11.043 3.933 8.899 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.846 1.618 10.163 1.00 10.00 H new ATOM 0 HG3 GLU A 22 10.385 1.153 8.562 1.00 10.00 H new ATOM 337 N LYS A 23 8.194 5.585 8.120 1.00 10.00 N ATOM 338 CA LYS A 23 7.939 6.937 7.656 1.00 10.00 C ATOM 339 C LYS A 23 6.506 7.335 8.017 1.00 10.00 C ATOM 340 O LYS A 23 6.265 8.451 8.474 1.00 10.00 O ATOM 341 CB LYS A 23 8.253 7.060 6.163 1.00 10.00 C ATOM 342 CG LYS A 23 9.733 7.376 5.938 1.00 10.00 C ATOM 343 CD LYS A 23 9.964 8.887 5.854 1.00 10.00 C ATOM 344 CE LYS A 23 11.375 9.199 5.353 1.00 10.00 C ATOM 345 NZ LYS A 23 11.871 10.460 5.948 1.00 10.00 N ATOM 0 H LYS A 23 7.860 4.850 7.497 1.00 10.00 H new ATOM 0 HA LYS A 23 8.602 7.642 8.157 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.995 6.130 5.656 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.639 7.845 5.722 1.00 10.00 H new ATOM 0 HG2 LYS A 23 10.326 6.958 6.752 1.00 10.00 H new ATOM 0 HG3 LYS A 23 10.075 6.900 5.019 1.00 10.00 H new ATOM 0 HD2 LYS A 23 9.229 9.334 5.184 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.815 9.336 6.836 1.00 10.00 H new ATOM 0 HE2 LYS A 23 12.047 8.380 5.609 1.00 10.00 H new ATOM 0 HE3 LYS A 23 11.371 9.280 4.266 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 12.830 10.656 5.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 11.238 11.242 5.682 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.894 10.370 6.984 1.00 10.00 H new ATOM 359 N LEU A 24 5.594 6.400 7.799 1.00 10.00 N ATOM 360 CA LEU A 24 4.192 6.638 8.096 1.00 10.00 C ATOM 361 C LEU A 24 3.986 6.620 9.612 1.00 10.00 C ATOM 362 O LEU A 24 4.416 7.536 10.312 1.00 10.00 O ATOM 363 CB LEU A 24 3.307 5.643 7.343 1.00 10.00 C ATOM 364 CG LEU A 24 3.406 5.678 5.816 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.810 5.290 5.349 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.326 4.803 5.177 1.00 10.00 C ATOM 0 H LEU A 24 5.799 5.475 7.420 1.00 10.00 H new ATOM 0 HA LEU A 24 3.891 7.625 7.745 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.557 4.637 7.680 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.270 5.825 7.624 1.00 10.00 H new ATOM 0 HG LEU A 24 3.228 6.701 5.485 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.853 5.323 4.260 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.537 5.989 5.762 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.041 4.281 5.691 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.418 4.845 4.092 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.447 3.773 5.512 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.342 5.167 5.472 1.00 10.00 H new ATOM 378 N GLY A 25 3.329 5.567 10.075 1.00 10.00 N ATOM 379 CA GLY A 25 3.061 5.417 11.495 1.00 10.00 C ATOM 380 C GLY A 25 1.682 4.795 11.730 1.00 10.00 C ATOM 381 O GLY A 25 0.955 5.212 12.630 1.00 10.00 O ATOM 0 H GLY A 25 2.974 4.809 9.492 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.829 4.791 11.949 1.00 10.00 H new ATOM 0 HA3 GLY A 25 3.113 6.390 11.983 1.00 10.00 H new ATOM 385 N CYS A 26 1.367 3.807 10.907 1.00 10.00 N ATOM 386 CA CYS A 26 0.089 3.123 11.014 1.00 10.00 C ATOM 387 C CYS A 26 -1.009 4.079 10.544 1.00 10.00 C ATOM 388 O CYS A 26 -1.776 3.752 9.639 1.00 10.00 O ATOM 389 CB CYS A 26 -0.164 2.617 12.436 1.00 10.00 C ATOM 390 SG CYS A 26 1.344 2.349 13.435 1.00 10.00 S ATOM 0 H CYS A 26 1.974 3.463 10.163 1.00 10.00 H new ATOM 0 HA CYS A 26 0.093 2.237 10.379 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.803 3.333 12.953 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.717 1.679 12.380 1.00 10.00 H new ATOM 395 N ASP A 27 -1.049 5.241 11.179 1.00 10.00 N ATOM 396 CA ASP A 27 -2.040 6.247 10.837 1.00 10.00 C ATOM 397 C ASP A 27 -1.831 6.692 9.388 1.00 10.00 C ATOM 398 O ASP A 27 -1.438 7.829 9.135 1.00 10.00 O ATOM 399 CB ASP A 27 -1.905 7.480 11.733 1.00 10.00 C ATOM 400 CG ASP A 27 -2.748 7.446 13.011 1.00 10.00 C ATOM 401 OD1 ASP A 27 -2.955 6.325 13.524 1.00 10.00 O ATOM 402 OD2 ASP A 27 -3.166 8.541 13.444 1.00 10.00 O ATOM 0 H ASP A 27 -0.411 5.508 11.929 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.028 5.807 10.974 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -0.857 7.597 12.010 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -2.182 8.362 11.156 1.00 10.00 H new ATOM 407 N ALA A 28 -2.103 5.770 8.475 1.00 10.00 N ATOM 408 CA ALA A 28 -1.949 6.053 7.059 1.00 10.00 C ATOM 409 C ALA A 28 -3.096 5.399 6.285 1.00 10.00 C ATOM 410 O ALA A 28 -3.812 6.070 5.545 1.00 10.00 O ATOM 411 CB ALA A 28 -0.576 5.568 6.587 1.00 10.00 C ATOM 0 H ALA A 28 -2.429 4.827 8.689 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.996 7.126 6.875 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.461 5.781 5.524 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.204 6.084 7.147 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.493 4.494 6.753 1.00 10.00 H new ATOM 417 N CYS A 29 -3.233 4.095 6.483 1.00 10.00 N ATOM 418 CA CYS A 29 -4.280 3.343 5.814 1.00 10.00 C ATOM 419 C CYS A 29 -5.277 2.864 6.871 1.00 10.00 C ATOM 420 O CYS A 29 -6.373 2.414 6.537 1.00 10.00 O ATOM 421 CB CYS A 29 -3.709 2.181 4.999 1.00 10.00 C ATOM 422 SG CYS A 29 -1.978 1.740 5.399 1.00 10.00 S ATOM 0 H CYS A 29 -2.636 3.541 7.097 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.792 3.985 5.098 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -4.337 1.304 5.154 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.769 2.434 3.940 1.00 10.00 H new ATOM 0 HG CYS A 29 -1.798 1.811 6.685 1.00 10.00 H new ATOM 427 N HIS A 30 -4.862 2.974 8.124 1.00 10.00 N ATOM 428 CA HIS A 30 -5.706 2.556 9.231 1.00 10.00 C ATOM 429 C HIS A 30 -6.307 3.789 9.910 1.00 10.00 C ATOM 430 O HIS A 30 -6.058 4.918 9.490 1.00 10.00 O ATOM 431 CB HIS A 30 -4.927 1.666 10.201 1.00 10.00 C ATOM 432 CG HIS A 30 -4.203 0.519 9.536 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.748 -0.748 9.426 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.974 0.463 8.947 1.00 10.00 C ATOM 435 CE1 HIS A 30 -3.877 -1.524 8.799 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.778 -0.772 8.504 1.00 10.00 N ATOM 0 H HIS A 30 -3.953 3.346 8.398 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.532 1.951 8.857 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.202 2.278 10.737 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.617 1.265 10.944 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -5.664 -1.035 9.769 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.279 1.284 8.857 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.013 -2.569 8.563 1.00 10.00 H new ATOM 444 N GLU A 31 -7.087 3.531 10.949 1.00 10.00 N ATOM 445 CA GLU A 31 -7.727 4.604 11.691 1.00 10.00 C ATOM 446 C GLU A 31 -8.551 4.034 12.847 1.00 10.00 C ATOM 447 O GLU A 31 -9.638 3.498 12.635 1.00 10.00 O ATOM 448 CB GLU A 31 -8.596 5.464 10.771 1.00 10.00 C ATOM 449 CG GLU A 31 -8.689 6.900 11.291 1.00 10.00 C ATOM 450 CD GLU A 31 -9.036 7.871 10.161 1.00 10.00 C ATOM 451 OE1 GLU A 31 -8.218 7.963 9.220 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.112 8.500 10.262 1.00 10.00 O ATOM 0 H GLU A 31 -7.291 2.593 11.295 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.949 5.245 12.107 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.177 5.464 9.765 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.595 5.033 10.701 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.447 6.959 12.072 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.741 7.188 11.745 1.00 10.00 H new ATOM 459 N GLY A 32 -8.002 4.167 14.045 1.00 10.00 N ATOM 460 CA GLY A 32 -8.672 3.671 15.235 1.00 10.00 C ATOM 461 C GLY A 32 -8.675 2.142 15.266 1.00 10.00 C ATOM 462 O GLY A 32 -9.608 1.509 14.774 1.00 10.00 O ATOM 0 H GLY A 32 -7.100 4.611 14.217 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -8.173 4.055 16.124 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -9.697 4.041 15.260 1.00 10.00 H new ATOM 466 N THR A 33 -7.620 1.591 15.849 1.00 10.00 N ATOM 467 CA THR A 33 -7.489 0.148 15.950 1.00 10.00 C ATOM 468 C THR A 33 -7.216 -0.461 14.573 1.00 10.00 C ATOM 469 O THR A 33 -8.122 -0.570 13.748 1.00 10.00 O ATOM 470 CB THR A 33 -8.754 -0.396 16.615 1.00 10.00 C ATOM 471 OG1 THR A 33 -8.911 0.413 17.777 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.564 -1.810 17.169 1.00 10.00 C ATOM 0 H THR A 33 -6.848 2.119 16.256 1.00 10.00 H new ATOM 0 HA THR A 33 -6.635 -0.129 16.568 1.00 10.00 H new ATOM 0 HB THR A 33 -9.571 -0.396 15.894 1.00 10.00 H new ATOM 0 HG1 THR A 33 -9.710 0.129 18.268 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.492 -2.148 17.630 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.295 -2.486 16.357 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.769 -1.805 17.915 1.00 10.00 H new ATOM 480 N PRO A 34 -5.931 -0.851 14.361 1.00 10.00 N ATOM 481 CA PRO A 34 -5.528 -1.447 13.099 1.00 10.00 C ATOM 482 C PRO A 34 -6.021 -2.891 12.990 1.00 10.00 C ATOM 483 O PRO A 34 -5.922 -3.658 13.947 1.00 10.00 O ATOM 484 CB PRO A 34 -4.013 -1.334 13.077 1.00 10.00 C ATOM 485 CG PRO A 34 -3.590 -1.106 14.519 1.00 10.00 C ATOM 486 CD PRO A 34 -4.832 -0.738 15.315 1.00 10.00 C ATOM 0 HA PRO A 34 -5.965 -0.942 12.238 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -3.560 -2.241 12.676 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -3.692 -0.509 12.441 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.127 -2.004 14.928 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -2.848 -0.309 14.578 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -4.973 -1.409 16.162 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.759 0.272 15.717 1.00 10.00 H new ATOM 494 N ALA A 35 -6.542 -3.219 11.817 1.00 10.00 N ATOM 495 CA ALA A 35 -7.052 -4.557 11.572 1.00 10.00 C ATOM 496 C ALA A 35 -6.925 -4.881 10.082 1.00 10.00 C ATOM 497 O ALA A 35 -6.842 -3.978 9.251 1.00 10.00 O ATOM 498 CB ALA A 35 -8.495 -4.653 12.069 1.00 10.00 C ATOM 0 H ALA A 35 -6.622 -2.581 11.025 1.00 10.00 H new ATOM 0 HA ALA A 35 -6.469 -5.296 12.121 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -8.877 -5.657 11.885 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.526 -4.443 13.138 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.112 -3.927 11.539 1.00 10.00 H new ATOM 504 N LYS A 36 -6.913 -6.173 9.790 1.00 10.00 N ATOM 505 CA LYS A 36 -6.797 -6.627 8.414 1.00 10.00 C ATOM 506 C LYS A 36 -7.707 -5.780 7.522 1.00 10.00 C ATOM 507 O LYS A 36 -8.843 -5.486 7.891 1.00 10.00 O ATOM 508 CB LYS A 36 -7.073 -8.130 8.321 1.00 10.00 C ATOM 509 CG LYS A 36 -8.576 -8.411 8.295 1.00 10.00 C ATOM 510 CD LYS A 36 -9.007 -8.964 6.935 1.00 10.00 C ATOM 511 CE LYS A 36 -8.779 -7.933 5.827 1.00 10.00 C ATOM 512 NZ LYS A 36 -9.362 -8.407 4.551 1.00 10.00 N ATOM 0 H LYS A 36 -6.982 -6.920 10.482 1.00 10.00 H new ATOM 0 HA LYS A 36 -5.778 -6.489 8.053 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -6.608 -8.534 7.421 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -6.619 -8.640 9.171 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -8.830 -9.125 9.079 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.125 -7.494 8.509 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -8.446 -9.872 6.713 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -10.061 -9.241 6.968 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.230 -6.982 6.109 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -7.711 -7.755 5.702 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -8.824 -8.009 3.755 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -9.318 -9.445 4.514 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -10.354 -8.100 4.487 1.00 10.00 H new ATOM 526 N ILE A 37 -7.173 -5.410 6.368 1.00 10.00 N ATOM 527 CA ILE A 37 -7.922 -4.601 5.422 1.00 10.00 C ATOM 528 C ILE A 37 -8.241 -5.439 4.182 1.00 10.00 C ATOM 529 O ILE A 37 -7.611 -6.469 3.945 1.00 10.00 O ATOM 530 CB ILE A 37 -7.170 -3.305 5.111 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.804 -2.562 6.397 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.970 -2.425 4.149 1.00 10.00 C ATOM 533 CD1 ILE A 37 -5.741 -1.495 6.131 1.00 10.00 C ATOM 0 H ILE A 37 -6.230 -5.656 6.066 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.874 -4.294 5.854 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.236 -3.563 4.611 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.695 -2.096 6.818 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -6.435 -3.271 7.138 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -7.414 -1.510 3.944 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -8.138 -2.964 3.217 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.930 -2.173 4.600 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -5.499 -0.982 7.062 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.843 -1.967 5.733 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.122 -0.774 5.408 1.00 10.00 H new ATOM 545 N ALA A 38 -9.218 -4.966 3.422 1.00 10.00 N ATOM 546 CA ALA A 38 -9.628 -5.659 2.212 1.00 10.00 C ATOM 547 C ALA A 38 -8.869 -5.081 1.017 1.00 10.00 C ATOM 548 O ALA A 38 -9.355 -4.167 0.351 1.00 10.00 O ATOM 549 CB ALA A 38 -11.145 -5.548 2.049 1.00 10.00 C ATOM 0 H ALA A 38 -9.738 -4.111 3.621 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.384 -6.719 2.276 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.452 -6.068 1.142 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.637 -5.999 2.910 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -11.428 -4.498 1.979 1.00 10.00 H new ATOM 555 N ILE A 39 -7.689 -5.636 0.781 1.00 10.00 N ATOM 556 CA ILE A 39 -6.858 -5.186 -0.324 1.00 10.00 C ATOM 557 C ILE A 39 -6.647 -6.344 -1.301 1.00 10.00 C ATOM 558 O ILE A 39 -6.064 -7.366 -0.942 1.00 10.00 O ATOM 559 CB ILE A 39 -5.555 -4.578 0.200 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.816 -3.243 0.901 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.523 -4.443 -0.922 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.851 -2.092 -0.107 1.00 10.00 C ATOM 0 H ILE A 39 -7.289 -6.393 1.335 1.00 10.00 H new ATOM 0 HA ILE A 39 -7.356 -4.389 -0.876 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.136 -5.256 0.943 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -6.763 -3.289 1.438 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -5.038 -3.059 1.642 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.606 -4.008 -0.523 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.307 -5.427 -1.338 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.920 -3.797 -1.705 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -6.038 -1.155 0.417 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.894 -2.033 -0.625 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.646 -2.267 -0.832 1.00 10.00 H new ATOM 574 N ASP A 40 -7.132 -6.144 -2.518 1.00 10.00 N ATOM 575 CA ASP A 40 -7.004 -7.159 -3.550 1.00 10.00 C ATOM 576 C ASP A 40 -6.760 -6.479 -4.899 1.00 10.00 C ATOM 577 O ASP A 40 -5.645 -6.508 -5.420 1.00 10.00 O ATOM 578 CB ASP A 40 -8.282 -7.993 -3.665 1.00 10.00 C ATOM 579 CG ASP A 40 -8.354 -8.897 -4.897 1.00 10.00 C ATOM 580 OD1 ASP A 40 -7.776 -10.003 -4.824 1.00 10.00 O ATOM 581 OD2 ASP A 40 -8.988 -8.463 -5.884 1.00 10.00 O ATOM 0 H ASP A 40 -7.614 -5.295 -2.812 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.172 -7.810 -3.282 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.376 -8.612 -2.773 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.138 -7.319 -3.677 1.00 10.00 H new ATOM 586 N LYS A 41 -7.819 -5.885 -5.428 1.00 10.00 N ATOM 587 CA LYS A 41 -7.733 -5.200 -6.706 1.00 10.00 C ATOM 588 C LYS A 41 -9.035 -4.436 -6.958 1.00 10.00 C ATOM 589 O LYS A 41 -9.837 -4.831 -7.804 1.00 10.00 O ATOM 590 CB LYS A 41 -7.373 -6.185 -7.819 1.00 10.00 C ATOM 591 CG LYS A 41 -6.682 -5.471 -8.982 1.00 10.00 C ATOM 592 CD LYS A 41 -7.583 -5.438 -10.219 1.00 10.00 C ATOM 593 CE LYS A 41 -7.430 -6.717 -11.043 1.00 10.00 C ATOM 594 NZ LYS A 41 -8.391 -7.746 -10.586 1.00 10.00 N ATOM 0 H LYS A 41 -8.742 -5.864 -4.994 1.00 10.00 H new ATOM 0 HA LYS A 41 -6.929 -4.465 -6.691 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -6.718 -6.962 -7.424 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -8.276 -6.681 -8.177 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -6.425 -4.453 -8.688 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -5.748 -5.979 -9.222 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -8.623 -5.321 -9.913 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -7.332 -4.573 -10.833 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -7.596 -6.499 -12.098 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -6.412 -7.096 -10.952 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -8.495 -8.474 -11.321 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -8.040 -8.185 -9.711 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -9.314 -7.303 -10.405 1.00 10.00 H new ATOM 608 N LYS A 42 -9.205 -3.357 -6.209 1.00 10.00 N ATOM 609 CA LYS A 42 -10.396 -2.535 -6.341 1.00 10.00 C ATOM 610 C LYS A 42 -10.246 -1.285 -5.470 1.00 10.00 C ATOM 611 O LYS A 42 -10.537 -0.176 -5.914 1.00 10.00 O ATOM 612 CB LYS A 42 -11.650 -3.353 -6.032 1.00 10.00 C ATOM 613 CG LYS A 42 -11.595 -3.926 -4.614 1.00 10.00 C ATOM 614 CD LYS A 42 -12.695 -4.968 -4.401 1.00 10.00 C ATOM 615 CE LYS A 42 -13.881 -4.366 -3.643 1.00 10.00 C ATOM 616 NZ LYS A 42 -14.037 -5.019 -2.324 1.00 10.00 N ATOM 0 H LYS A 42 -8.538 -3.033 -5.509 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.512 -2.196 -7.370 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -12.534 -2.725 -6.140 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.746 -4.165 -6.753 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -10.620 -4.380 -4.439 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -11.706 -3.121 -3.888 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.031 -5.350 -5.365 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -12.295 -5.816 -3.844 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -13.729 -3.295 -3.510 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -14.793 -4.489 -4.227 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -14.846 -4.599 -1.822 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -14.203 -6.037 -2.458 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -13.172 -4.880 -1.763 1.00 10.00 H new ATOM 630 N SER A 43 -9.793 -1.509 -4.245 1.00 10.00 N ATOM 631 CA SER A 43 -9.602 -0.414 -3.308 1.00 10.00 C ATOM 632 C SER A 43 -8.120 -0.043 -3.232 1.00 10.00 C ATOM 633 O SER A 43 -7.776 1.134 -3.140 1.00 10.00 O ATOM 634 CB SER A 43 -10.129 -0.781 -1.919 1.00 10.00 C ATOM 635 OG SER A 43 -11.295 -0.036 -1.577 1.00 10.00 O ATOM 0 H SER A 43 -9.553 -2.431 -3.880 1.00 10.00 H new ATOM 0 HA SER A 43 -10.167 0.446 -3.667 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.357 -1.846 -1.888 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.352 -0.599 -1.177 1.00 10.00 H new ATOM 0 HG SER A 43 -11.602 -0.300 -0.684 1.00 10.00 H new ATOM 641 N ALA A 44 -7.283 -1.069 -3.273 1.00 10.00 N ATOM 642 CA ALA A 44 -5.845 -0.866 -3.211 1.00 10.00 C ATOM 643 C ALA A 44 -5.419 0.076 -4.339 1.00 10.00 C ATOM 644 O ALA A 44 -4.327 0.642 -4.301 1.00 10.00 O ATOM 645 CB ALA A 44 -5.134 -2.219 -3.280 1.00 10.00 C ATOM 0 H ALA A 44 -7.573 -2.044 -3.348 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.563 -0.399 -2.267 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.056 -2.066 -3.233 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.449 -2.839 -2.441 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.390 -2.717 -4.215 1.00 10.00 H new ATOM 651 N HIS A 45 -6.302 0.214 -5.317 1.00 10.00 N ATOM 652 CA HIS A 45 -6.030 1.077 -6.454 1.00 10.00 C ATOM 653 C HIS A 45 -6.801 2.389 -6.299 1.00 10.00 C ATOM 654 O HIS A 45 -6.784 3.233 -7.193 1.00 10.00 O ATOM 655 CB HIS A 45 -6.342 0.358 -7.769 1.00 10.00 C ATOM 656 CG HIS A 45 -5.397 -0.776 -8.088 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.417 -1.452 -9.295 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.404 -1.345 -7.344 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.476 -2.383 -9.270 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.850 -2.316 -8.059 1.00 10.00 N ATOM 0 H HIS A 45 -7.206 -0.257 -5.346 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.968 1.321 -6.483 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.359 -0.031 -7.726 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.312 1.082 -8.583 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.050 -1.265 -10.073 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.118 -1.054 -6.344 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.245 -3.074 -10.067 1.00 10.00 H new ATOM 668 N LYS A 46 -7.459 2.519 -5.156 1.00 10.00 N ATOM 669 CA LYS A 46 -8.235 3.714 -4.872 1.00 10.00 C ATOM 670 C LYS A 46 -7.660 4.410 -3.637 1.00 10.00 C ATOM 671 O LYS A 46 -6.478 4.260 -3.331 1.00 10.00 O ATOM 672 CB LYS A 46 -9.722 3.371 -4.747 1.00 10.00 C ATOM 673 CG LYS A 46 -10.576 4.323 -5.586 1.00 10.00 C ATOM 674 CD LYS A 46 -12.056 3.942 -5.510 1.00 10.00 C ATOM 675 CE LYS A 46 -12.911 5.143 -5.099 1.00 10.00 C ATOM 676 NZ LYS A 46 -14.192 4.691 -4.513 1.00 10.00 N ATOM 0 H LYS A 46 -7.471 1.817 -4.416 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.162 4.420 -5.699 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.891 2.344 -5.071 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.026 3.429 -3.702 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.441 5.345 -5.233 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.243 4.298 -6.624 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.389 3.568 -6.478 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.190 3.133 -4.792 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -12.369 5.753 -4.376 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.104 5.774 -5.967 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.760 5.518 -4.240 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.715 4.128 -5.214 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.003 4.108 -3.673 1.00 10.00 H new ATOM 690 N ASP A 47 -8.521 5.155 -2.961 1.00 10.00 N ATOM 691 CA ASP A 47 -8.113 5.875 -1.767 1.00 10.00 C ATOM 692 C ASP A 47 -7.318 4.935 -0.858 1.00 10.00 C ATOM 693 O ASP A 47 -6.365 5.356 -0.203 1.00 10.00 O ATOM 694 CB ASP A 47 -9.327 6.375 -0.983 1.00 10.00 C ATOM 695 CG ASP A 47 -10.437 5.343 -0.781 1.00 10.00 C ATOM 696 OD1 ASP A 47 -11.143 5.066 -1.775 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.555 4.853 0.363 1.00 10.00 O ATOM 0 H ASP A 47 -9.501 5.276 -3.218 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.508 6.727 -2.077 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -8.992 6.721 -0.005 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -9.744 7.238 -1.501 1.00 10.00 H new ATOM 702 N ALA A 48 -7.738 3.678 -0.847 1.00 10.00 N ATOM 703 CA ALA A 48 -7.078 2.675 -0.030 1.00 10.00 C ATOM 704 C ALA A 48 -5.573 2.955 -0.002 1.00 10.00 C ATOM 705 O ALA A 48 -4.955 2.942 1.060 1.00 10.00 O ATOM 706 CB ALA A 48 -7.403 1.282 -0.570 1.00 10.00 C ATOM 0 H ALA A 48 -8.528 3.332 -1.392 1.00 10.00 H new ATOM 0 HA ALA A 48 -7.440 2.718 0.997 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.908 0.529 0.043 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -8.481 1.122 -0.540 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -7.053 1.200 -1.599 1.00 10.00 H new ATOM 712 N CYS A 49 -5.029 3.201 -1.186 1.00 10.00 N ATOM 713 CA CYS A 49 -3.609 3.482 -1.311 1.00 10.00 C ATOM 714 C CYS A 49 -3.448 4.862 -1.954 1.00 10.00 C ATOM 715 O CYS A 49 -3.762 5.878 -1.337 1.00 10.00 O ATOM 716 CB CYS A 49 -2.884 2.395 -2.106 1.00 10.00 C ATOM 717 SG CYS A 49 -2.619 0.828 -1.199 1.00 10.00 S ATOM 0 H CYS A 49 -5.546 3.211 -2.065 1.00 10.00 H new ATOM 0 HA CYS A 49 -3.148 3.485 -0.323 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.456 2.183 -3.010 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.916 2.782 -2.425 1.00 10.00 H new ATOM 0 HG CYS A 49 -2.402 -0.133 -2.047 1.00 10.00 H new ATOM 722 N LYS A 50 -2.960 4.852 -3.185 1.00 10.00 N ATOM 723 CA LYS A 50 -2.754 6.090 -3.919 1.00 10.00 C ATOM 724 C LYS A 50 -2.509 7.230 -2.928 1.00 10.00 C ATOM 725 O LYS A 50 -1.610 7.148 -2.093 1.00 10.00 O ATOM 726 CB LYS A 50 -3.920 6.346 -4.874 1.00 10.00 C ATOM 727 CG LYS A 50 -4.148 5.147 -5.797 1.00 10.00 C ATOM 728 CD LYS A 50 -4.212 5.585 -7.261 1.00 10.00 C ATOM 729 CE LYS A 50 -3.090 4.940 -8.077 1.00 10.00 C ATOM 730 NZ LYS A 50 -3.218 5.298 -9.507 1.00 10.00 N ATOM 0 H LYS A 50 -2.701 4.007 -3.693 1.00 10.00 H new ATOM 0 HA LYS A 50 -1.867 6.017 -4.548 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -4.826 6.546 -4.302 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -3.717 7.235 -5.471 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -3.343 4.424 -5.665 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -5.076 4.644 -5.523 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -5.178 5.310 -7.684 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -4.134 6.670 -7.323 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.122 5.269 -7.699 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -3.126 3.857 -7.963 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -2.449 4.852 -10.047 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -4.134 4.963 -9.868 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.161 6.331 -9.613 1.00 10.00 H new ATOM 744 N THR A 51 -3.325 8.266 -3.053 1.00 10.00 N ATOM 745 CA THR A 51 -3.208 9.420 -2.179 1.00 10.00 C ATOM 746 C THR A 51 -1.745 9.658 -1.802 1.00 10.00 C ATOM 747 O THR A 51 -0.987 10.241 -2.578 1.00 10.00 O ATOM 748 CB THR A 51 -4.117 9.192 -0.970 1.00 10.00 C ATOM 749 OG1 THR A 51 -5.433 9.215 -1.515 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.099 10.370 0.007 1.00 10.00 C ATOM 0 H THR A 51 -4.070 8.330 -3.747 1.00 10.00 H new ATOM 0 HA THR A 51 -3.534 10.331 -2.682 1.00 10.00 H new ATOM 0 HB THR A 51 -3.809 8.284 -0.451 1.00 10.00 H new ATOM 0 HG1 THR A 51 -6.086 9.073 -0.799 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.761 10.157 0.846 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.084 10.522 0.374 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.439 11.271 -0.503 1.00 10.00 H new ATOM 758 N CYS A 52 -1.390 9.196 -0.613 1.00 10.00 N ATOM 759 CA CYS A 52 -0.031 9.351 -0.124 1.00 10.00 C ATOM 760 C CYS A 52 0.931 9.080 -1.283 1.00 10.00 C ATOM 761 O CYS A 52 1.579 9.999 -1.783 1.00 10.00 O ATOM 762 CB CYS A 52 0.248 8.438 1.072 1.00 10.00 C ATOM 763 SG CYS A 52 2.022 8.143 1.415 1.00 10.00 S ATOM 0 H CYS A 52 -2.021 8.714 0.027 1.00 10.00 H new ATOM 0 HA CYS A 52 0.113 10.369 0.237 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -0.212 8.874 1.959 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -0.239 7.478 0.900 1.00 10.00 H new ATOM 768 N HIS A 53 0.992 7.817 -1.678 1.00 10.00 N ATOM 769 CA HIS A 53 1.863 7.415 -2.769 1.00 10.00 C ATOM 770 C HIS A 53 1.860 8.495 -3.852 1.00 10.00 C ATOM 771 O HIS A 53 2.893 8.775 -4.458 1.00 10.00 O ATOM 772 CB HIS A 53 1.464 6.038 -3.303 1.00 10.00 C ATOM 773 CG HIS A 53 2.367 4.917 -2.848 1.00 10.00 C ATOM 774 ND1 HIS A 53 2.590 3.779 -3.605 1.00 10.00 N ATOM 775 CD2 HIS A 53 3.100 4.771 -1.707 1.00 10.00 C ATOM 776 CE1 HIS A 53 3.422 2.992 -2.939 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.737 3.607 -1.764 1.00 10.00 N ATOM 0 H HIS A 53 0.452 7.058 -1.262 1.00 10.00 H new ATOM 0 HA HIS A 53 2.886 7.317 -2.406 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.444 5.819 -2.988 1.00 10.00 H new ATOM 0 HB3 HIS A 53 1.461 6.069 -4.393 1.00 10.00 H new ATOM 0 HD1 HIS A 53 2.183 3.581 -4.519 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.153 5.481 -0.895 1.00 10.00 H new ATOM 0 HE1 HIS A 53 3.787 2.031 -3.269 1.00 10.00 H new ATOM 785 N LYS A 54 0.687 9.073 -4.064 1.00 10.00 N ATOM 786 CA LYS A 54 0.535 10.116 -5.064 1.00 10.00 C ATOM 787 C LYS A 54 0.911 11.466 -4.448 1.00 10.00 C ATOM 788 O LYS A 54 0.145 12.424 -4.530 1.00 10.00 O ATOM 789 CB LYS A 54 -0.872 10.084 -5.663 1.00 10.00 C ATOM 790 CG LYS A 54 -0.950 9.091 -6.825 1.00 10.00 C ATOM 791 CD LYS A 54 -2.328 9.132 -7.490 1.00 10.00 C ATOM 792 CE LYS A 54 -2.339 10.106 -8.668 1.00 10.00 C ATOM 793 NZ LYS A 54 -3.543 10.964 -8.621 1.00 10.00 N ATOM 0 H LYS A 54 -0.168 8.838 -3.560 1.00 10.00 H new ATOM 0 HA LYS A 54 1.215 9.945 -5.899 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -1.593 9.807 -4.894 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -1.146 11.080 -6.012 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -0.180 9.325 -7.560 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -0.748 8.084 -6.461 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -2.599 8.134 -7.836 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.080 9.431 -6.759 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -1.443 10.726 -8.643 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -2.317 9.551 -9.606 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -3.534 11.619 -9.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -4.395 10.369 -8.667 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -3.548 11.507 -7.734 1.00 10.00 H new ATOM 807 N SER A 55 2.090 11.497 -3.844 1.00 10.00 N ATOM 808 CA SER A 55 2.576 12.712 -3.214 1.00 10.00 C ATOM 809 C SER A 55 4.104 12.758 -3.274 1.00 10.00 C ATOM 810 O SER A 55 4.677 13.585 -3.981 1.00 10.00 O ATOM 811 CB SER A 55 2.098 12.811 -1.764 1.00 10.00 C ATOM 812 OG SER A 55 2.170 14.145 -1.266 1.00 10.00 O ATOM 0 H SER A 55 2.723 10.700 -3.778 1.00 10.00 H new ATOM 0 HA SER A 55 2.172 13.565 -3.760 1.00 10.00 H new ATOM 0 HB2 SER A 55 1.070 12.454 -1.696 1.00 10.00 H new ATOM 0 HB3 SER A 55 2.704 12.157 -1.137 1.00 10.00 H new ATOM 0 HG SER A 55 1.855 14.165 -0.338 1.00 10.00 H new ATOM 818 N ASN A 56 4.720 11.858 -2.521 1.00 10.00 N ATOM 819 CA ASN A 56 6.171 11.785 -2.480 1.00 10.00 C ATOM 820 C ASN A 56 6.679 11.103 -3.751 1.00 10.00 C ATOM 821 O ASN A 56 7.308 11.741 -4.593 1.00 10.00 O ATOM 822 CB ASN A 56 6.647 10.965 -1.279 1.00 10.00 C ATOM 823 CG ASN A 56 8.175 10.934 -1.207 1.00 10.00 C ATOM 824 OD1 ASN A 56 8.858 10.513 -2.127 1.00 10.00 O ATOM 825 ND2 ASN A 56 8.672 11.402 -0.066 1.00 10.00 N ATOM 0 H ASN A 56 4.241 11.174 -1.935 1.00 10.00 H new ATOM 0 HA ASN A 56 6.558 12.801 -2.399 1.00 10.00 H new ATOM 0 HB2 ASN A 56 6.245 11.392 -0.360 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.262 9.948 -1.353 1.00 10.00 H new ATOM 0 HD21 ASN A 56 9.681 11.424 0.080 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.044 11.739 0.664 1.00 10.00 H new ATOM 832 N ASN A 57 6.389 9.813 -3.849 1.00 10.00 N ATOM 833 CA ASN A 57 6.809 9.037 -5.004 1.00 10.00 C ATOM 834 C ASN A 57 5.724 9.105 -6.080 1.00 10.00 C ATOM 835 O ASN A 57 4.657 9.675 -5.857 1.00 10.00 O ATOM 836 CB ASN A 57 7.016 7.567 -4.633 1.00 10.00 C ATOM 837 CG ASN A 57 7.976 7.431 -3.450 1.00 10.00 C ATOM 838 OD1 ASN A 57 9.183 7.563 -3.578 1.00 10.00 O ATOM 839 ND2 ASN A 57 7.376 7.158 -2.294 1.00 10.00 N ATOM 0 H ASN A 57 5.868 9.286 -3.148 1.00 10.00 H new ATOM 0 HA ASN A 57 7.749 9.453 -5.367 1.00 10.00 H new ATOM 0 HB2 ASN A 57 6.057 7.113 -4.382 1.00 10.00 H new ATOM 0 HB3 ASN A 57 7.411 7.024 -5.491 1.00 10.00 H new ATOM 0 HD21 ASN A 57 7.931 7.046 -1.445 1.00 10.00 H new ATOM 0 HD22 ASN A 57 6.361 7.060 -2.257 1.00 10.00 H new ATOM 846 N GLY A 58 6.034 8.515 -7.226 1.00 10.00 N ATOM 847 CA GLY A 58 5.099 8.501 -8.337 1.00 10.00 C ATOM 848 C GLY A 58 4.903 7.080 -8.871 1.00 10.00 C ATOM 849 O GLY A 58 5.438 6.729 -9.922 1.00 10.00 O ATOM 0 H GLY A 58 6.920 8.043 -7.408 1.00 10.00 H new ATOM 0 HA2 GLY A 58 4.140 8.908 -8.015 1.00 10.00 H new ATOM 0 HA3 GLY A 58 5.467 9.146 -9.135 1.00 10.00 H new ATOM 853 N PRO A 59 4.114 6.282 -8.104 1.00 10.00 N ATOM 854 CA PRO A 59 3.841 4.908 -8.488 1.00 10.00 C ATOM 855 C PRO A 59 2.836 4.851 -9.640 1.00 10.00 C ATOM 856 O PRO A 59 2.427 3.769 -10.059 1.00 10.00 O ATOM 857 CB PRO A 59 3.331 4.239 -7.222 1.00 10.00 C ATOM 858 CG PRO A 59 2.898 5.367 -6.300 1.00 10.00 C ATOM 859 CD PRO A 59 3.464 6.665 -6.854 1.00 10.00 C ATOM 0 HA PRO A 59 4.724 4.393 -8.866 1.00 10.00 H new ATOM 0 HB2 PRO A 59 2.497 3.572 -7.441 1.00 10.00 H new ATOM 0 HB3 PRO A 59 4.110 3.634 -6.759 1.00 10.00 H new ATOM 0 HG2 PRO A 59 1.811 5.418 -6.244 1.00 10.00 H new ATOM 0 HG3 PRO A 59 3.262 5.193 -5.287 1.00 10.00 H new ATOM 0 HD2 PRO A 59 2.677 7.399 -7.026 1.00 10.00 H new ATOM 0 HD3 PRO A 59 4.174 7.115 -6.160 1.00 10.00 H new ATOM 867 N THR A 60 2.468 6.029 -10.121 1.00 10.00 N ATOM 868 CA THR A 60 1.520 6.127 -11.218 1.00 10.00 C ATOM 869 C THR A 60 1.668 4.931 -12.161 1.00 10.00 C ATOM 870 O THR A 60 0.766 4.102 -12.265 1.00 10.00 O ATOM 871 CB THR A 60 1.732 7.476 -11.908 1.00 10.00 C ATOM 872 OG1 THR A 60 1.407 8.434 -10.905 1.00 10.00 O ATOM 873 CG2 THR A 60 0.708 7.733 -13.017 1.00 10.00 C ATOM 0 H THR A 60 2.809 6.924 -9.771 1.00 10.00 H new ATOM 0 HA THR A 60 0.492 6.089 -10.856 1.00 10.00 H new ATOM 0 HB THR A 60 2.738 7.516 -12.326 1.00 10.00 H new ATOM 0 HG1 THR A 60 1.519 9.338 -11.267 1.00 10.00 H new ATOM 0 HG21 THR A 60 0.903 8.703 -13.474 1.00 10.00 H new ATOM 0 HG22 THR A 60 0.788 6.953 -13.774 1.00 10.00 H new ATOM 0 HG23 THR A 60 -0.296 7.727 -12.593 1.00 10.00 H new ATOM 881 N LYS A 61 2.815 4.881 -12.824 1.00 10.00 N ATOM 882 CA LYS A 61 3.094 3.801 -13.755 1.00 10.00 C ATOM 883 C LYS A 61 3.101 2.470 -12.998 1.00 10.00 C ATOM 884 O LYS A 61 3.606 2.391 -11.880 1.00 10.00 O ATOM 885 CB LYS A 61 4.387 4.077 -14.524 1.00 10.00 C ATOM 886 CG LYS A 61 5.583 3.410 -13.843 1.00 10.00 C ATOM 887 CD LYS A 61 6.902 3.977 -14.372 1.00 10.00 C ATOM 888 CE LYS A 61 7.864 2.854 -14.765 1.00 10.00 C ATOM 889 NZ LYS A 61 7.865 2.661 -16.232 1.00 10.00 N ATOM 0 H LYS A 61 3.561 5.571 -12.735 1.00 10.00 H new ATOM 0 HA LYS A 61 2.310 3.736 -14.509 1.00 10.00 H new ATOM 0 HB2 LYS A 61 4.293 3.708 -15.545 1.00 10.00 H new ATOM 0 HB3 LYS A 61 4.554 5.152 -14.588 1.00 10.00 H new ATOM 0 HG2 LYS A 61 5.524 3.562 -12.765 1.00 10.00 H new ATOM 0 HG3 LYS A 61 5.551 2.334 -14.015 1.00 10.00 H new ATOM 0 HD2 LYS A 61 6.708 4.613 -15.236 1.00 10.00 H new ATOM 0 HD3 LYS A 61 7.363 4.606 -13.610 1.00 10.00 H new ATOM 0 HE2 LYS A 61 8.871 3.094 -14.423 1.00 10.00 H new ATOM 0 HE3 LYS A 61 7.572 1.927 -14.271 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 8.523 1.895 -16.481 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 6.907 2.411 -16.550 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 8.166 3.541 -16.698 1.00 10.00 H new ATOM 903 N CYS A 62 2.533 1.459 -13.638 1.00 10.00 N ATOM 904 CA CYS A 62 2.468 0.136 -13.040 1.00 10.00 C ATOM 905 C CYS A 62 3.832 -0.180 -12.425 1.00 10.00 C ATOM 906 O CYS A 62 3.918 -0.560 -11.258 1.00 10.00 O ATOM 907 CB CYS A 62 2.039 -0.923 -14.056 1.00 10.00 C ATOM 908 SG CYS A 62 0.351 -0.705 -14.728 1.00 10.00 S ATOM 0 H CYS A 62 2.113 1.529 -14.565 1.00 10.00 H new ATOM 0 HA CYS A 62 1.708 0.123 -12.259 1.00 10.00 H new ATOM 0 HB2 CYS A 62 2.748 -0.919 -14.884 1.00 10.00 H new ATOM 0 HB3 CYS A 62 2.103 -1.904 -13.586 1.00 10.00 H new ATOM 0 HG CYS A 62 0.096 -1.655 -15.578 1.00 10.00 H new ATOM 913 N GLY A 63 4.865 -0.014 -13.237 1.00 10.00 N ATOM 914 CA GLY A 63 6.221 -0.277 -12.787 1.00 10.00 C ATOM 915 C GLY A 63 6.444 0.261 -11.373 1.00 10.00 C ATOM 916 O GLY A 63 7.276 -0.260 -10.631 1.00 10.00 O ATOM 0 H GLY A 63 4.790 0.300 -14.205 1.00 10.00 H new ATOM 0 HA2 GLY A 63 6.412 -1.350 -12.806 1.00 10.00 H new ATOM 0 HA3 GLY A 63 6.931 0.186 -13.472 1.00 10.00 H new ATOM 920 N GLY A 64 5.686 1.295 -11.042 1.00 10.00 N ATOM 921 CA GLY A 64 5.790 1.910 -9.729 1.00 10.00 C ATOM 922 C GLY A 64 5.650 0.863 -8.621 1.00 10.00 C ATOM 923 O GLY A 64 6.649 0.349 -8.118 1.00 10.00 O ATOM 0 H GLY A 64 4.997 1.723 -11.660 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.750 2.417 -9.636 1.00 10.00 H new ATOM 0 HA3 GLY A 64 5.016 2.669 -9.617 1.00 10.00 H new ATOM 927 N CYS A 65 4.404 0.579 -8.274 1.00 10.00 N ATOM 928 CA CYS A 65 4.121 -0.398 -7.236 1.00 10.00 C ATOM 929 C CYS A 65 4.520 -1.781 -7.754 1.00 10.00 C ATOM 930 O CYS A 65 5.371 -2.446 -7.165 1.00 10.00 O ATOM 931 CB CYS A 65 2.655 -0.353 -6.801 1.00 10.00 C ATOM 932 SG CYS A 65 2.227 1.032 -5.684 1.00 10.00 S ATOM 0 H CYS A 65 3.579 1.008 -8.693 1.00 10.00 H new ATOM 0 HA CYS A 65 4.704 -0.163 -6.345 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.029 -0.290 -7.691 1.00 10.00 H new ATOM 0 HB3 CYS A 65 2.409 -1.291 -6.304 1.00 10.00 H new ATOM 937 N HIS A 66 3.887 -2.172 -8.850 1.00 10.00 N ATOM 938 CA HIS A 66 4.166 -3.464 -9.456 1.00 10.00 C ATOM 939 C HIS A 66 5.556 -3.442 -10.093 1.00 10.00 C ATOM 940 O HIS A 66 5.735 -2.901 -11.184 1.00 10.00 O ATOM 941 CB HIS A 66 3.065 -3.849 -10.445 1.00 10.00 C ATOM 942 CG HIS A 66 1.786 -4.313 -9.790 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.393 -5.641 -9.769 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.817 -3.614 -9.132 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.237 -5.724 -9.127 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.119 -4.467 -8.733 1.00 10.00 N ATOM 0 H HIS A 66 3.182 -1.617 -9.335 1.00 10.00 H new ATOM 0 HA HIS A 66 4.169 -4.237 -8.688 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.845 -2.991 -11.080 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.436 -4.641 -11.096 1.00 10.00 H new ATOM 0 HD1 HIS A 66 1.906 -6.422 -10.178 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.812 -2.547 -8.964 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.325 -6.628 -8.947 1.00 10.00 H new ATOM 954 N ILE A 67 6.506 -4.037 -9.388 1.00 10.00 N ATOM 955 CA ILE A 67 7.875 -4.093 -9.872 1.00 10.00 C ATOM 956 C ILE A 67 7.962 -5.089 -11.030 1.00 10.00 C ATOM 957 O ILE A 67 8.436 -6.211 -10.855 1.00 10.00 O ATOM 958 CB ILE A 67 8.838 -4.401 -8.723 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.708 -3.363 -7.606 1.00 10.00 C ATOM 960 CG2 ILE A 67 10.276 -4.521 -9.230 1.00 10.00 C ATOM 961 CD1 ILE A 67 9.017 -1.957 -8.126 1.00 10.00 C ATOM 0 H ILE A 67 6.355 -4.485 -8.484 1.00 10.00 H new ATOM 0 HA ILE A 67 8.180 -3.122 -10.262 1.00 10.00 H new ATOM 0 HB ILE A 67 8.565 -5.367 -8.298 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.698 -3.389 -7.196 1.00 10.00 H new ATOM 0 HG13 ILE A 67 9.389 -3.612 -6.792 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.940 -4.740 -8.394 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.338 -5.326 -9.962 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.577 -3.583 -9.696 1.00 10.00 H new ATOM 0 HD11 ILE A 67 8.917 -1.238 -7.313 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.035 -1.928 -8.513 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.318 -1.702 -8.923 1.00 10.00 H new ATOM 973 N LYS A 68 7.495 -4.643 -12.188 1.00 10.00 N ATOM 974 CA LYS A 68 7.514 -5.482 -13.374 1.00 10.00 C ATOM 975 C LYS A 68 8.939 -5.541 -13.929 1.00 10.00 C ATOM 976 O LYS A 68 9.896 -5.219 -13.227 1.00 10.00 O ATOM 977 CB LYS A 68 6.478 -4.996 -14.390 1.00 10.00 C ATOM 978 CG LYS A 68 6.442 -5.911 -15.616 1.00 10.00 C ATOM 979 CD LYS A 68 5.527 -7.113 -15.376 1.00 10.00 C ATOM 980 CE LYS A 68 6.342 -8.398 -15.215 1.00 10.00 C ATOM 981 NZ LYS A 68 5.847 -9.444 -16.138 1.00 10.00 N ATOM 0 H LYS A 68 7.102 -3.713 -12.329 1.00 10.00 H new ATOM 0 HA LYS A 68 7.227 -6.503 -13.123 1.00 10.00 H new ATOM 0 HB2 LYS A 68 5.493 -4.967 -13.925 1.00 10.00 H new ATOM 0 HB3 LYS A 68 6.715 -3.978 -14.698 1.00 10.00 H new ATOM 0 HG2 LYS A 68 6.092 -5.350 -16.483 1.00 10.00 H new ATOM 0 HG3 LYS A 68 7.450 -6.257 -15.846 1.00 10.00 H new ATOM 0 HD2 LYS A 68 4.926 -6.945 -14.482 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.834 -7.220 -16.211 1.00 10.00 H new ATOM 0 HE2 LYS A 68 7.394 -8.196 -15.415 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.276 -8.751 -14.186 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 6.411 -10.309 -16.016 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 4.849 -9.648 -15.928 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 5.933 -9.110 -17.119 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -6.162 2.579 -12.165 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.140 -2.170 8.900 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.049 -4.923 8.341 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.352 -2.754 12.240 1.00 10.00 C HETATM 1000 CHC HEC A 98 1.153 0.222 9.389 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.459 -1.277 5.720 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.025 -3.544 10.000 1.00 10.00 N HETATM 1003 C1A HEC A 98 -2.775 -4.604 9.663 1.00 10.00 C HETATM 1004 C2A HEC A 98 -2.980 -5.536 10.797 1.00 10.00 C HETATM 1005 C3A HEC A 98 -2.518 -4.887 11.867 1.00 10.00 C HETATM 1006 C4A HEC A 98 -1.901 -3.700 11.469 1.00 10.00 C HETATM 1007 CMA HEC A 98 -2.525 -5.435 13.345 1.00 10.00 C HETATM 1008 CAA HEC A 98 -3.785 -6.796 10.653 1.00 10.00 C HETATM 1009 CBA HEC A 98 -2.951 -7.847 9.850 1.00 10.00 C HETATM 1010 CGA HEC A 98 -2.182 -8.897 10.635 1.00 10.00 C HETATM 1011 O1A HEC A 98 -2.148 -10.004 10.085 1.00 10.00 O HETATM 1012 O2A HEC A 98 -1.638 -8.607 11.723 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.255 -1.389 10.519 1.00 10.00 N HETATM 1014 C1B HEC A 98 -0.648 -1.629 11.831 1.00 10.00 C HETATM 1015 C2B HEC A 98 0.195 -0.767 12.654 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.964 0.040 11.882 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.601 -0.354 10.547 1.00 10.00 C HETATM 1018 CMB HEC A 98 0.040 -0.728 14.218 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.922 1.149 12.229 1.00 10.00 C HETATM 1020 CBB HEC A 98 3.298 0.666 12.715 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.324 -0.790 7.723 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.622 0.140 8.031 1.00 10.00 C HETATM 1023 C2C HEC A 98 0.971 1.070 7.031 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.266 0.618 5.974 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.601 -0.473 6.415 1.00 10.00 C HETATM 1026 CMC HEC A 98 1.954 2.199 7.082 1.00 10.00 C HETATM 1027 CAC HEC A 98 -0.001 1.254 4.574 1.00 10.00 C HETATM 1028 CBC HEC A 98 0.169 2.790 4.599 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.084 -2.940 7.310 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.107 -2.416 6.024 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.855 -3.241 5.193 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.279 -4.289 5.917 1.00 10.00 C HETATM 1033 C4D HEC A 98 -2.722 -4.140 7.259 1.00 10.00 C HETATM 1034 CMD HEC A 98 -3.087 -3.034 3.627 1.00 10.00 C HETATM 1035 CAD HEC A 98 -4.028 -5.523 5.356 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.171 -6.360 4.435 1.00 10.00 C HETATM 1037 CGD HEC A 98 -1.978 -7.086 5.030 1.00 10.00 C HETATM 1038 O1D HEC A 98 -1.067 -6.374 5.533 1.00 10.00 O HETATM 1039 O2D HEC A 98 -1.952 -8.316 4.802 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.578 -2.076 3.455 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -2.126 -3.047 3.112 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.715 -3.838 3.243 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.663 2.899 7.865 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 2.948 1.807 7.297 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 1.967 2.714 6.121 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -0.970 -0.410 14.476 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 0.223 -1.722 14.627 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 0.760 -0.025 14.638 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -3.551 -5.637 13.653 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -1.943 -6.355 13.395 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.086 -4.692 14.011 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -3.814 -7.105 3.966 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -2.804 -5.711 3.640 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 -0.534 3.222 5.311 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 1.187 3.039 4.899 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 -0.026 3.194 3.605 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 3.175 0.059 13.612 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.770 0.069 11.935 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.926 1.527 12.943 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -3.630 -8.366 9.174 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -2.237 -7.304 9.230 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.373 -6.141 6.185 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.915 -5.190 4.817 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.043 -7.192 11.635 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -4.722 -6.587 10.138 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.660 -0.922 4.709 1.00 10.00 H new HETATM 0 HHC HEC A 98 2.074 0.790 9.519 1.00 10.00 H new HETATM 0 HHB HEC A 98 -1.471 -2.882 13.316 1.00 10.00 H new HETATM 0 HHA HEC A 98 -3.562 -5.865 8.145 1.00 10.00 H new HETATM 0 HAC HEC A 98 -0.274 0.684 3.686 1.00 10.00 H new HETATM 0 H2D HEC A 98 -1.648 -8.791 5.603 1.00 10.00 H new HETATM 0 H2A HEC A 98 -1.387 -9.430 12.193 1.00 10.00 H new HETATM 1072 FE HEC A 128 4.141 2.498 0.014 1.00 10.00 FE HETATM 1073 CHA HEC A 128 7.532 2.680 -0.060 1.00 10.00 C HETATM 1074 CHB HEC A 128 4.277 -0.130 -2.132 1.00 10.00 C HETATM 1075 CHC HEC A 128 0.863 2.018 0.512 1.00 10.00 C HETATM 1076 CHD HEC A 128 3.998 5.413 1.593 1.00 10.00 C HETATM 1077 NA HEC A 128 5.605 1.530 -0.879 1.00 10.00 N HETATM 1078 C1A HEC A 128 6.936 1.698 -0.837 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.669 0.551 -1.425 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.733 -0.194 -2.013 1.00 10.00 C HETATM 1081 C4A HEC A 128 5.468 0.308 -1.705 1.00 10.00 C HETATM 1082 CMA HEC A 128 6.992 -1.528 -2.812 1.00 10.00 C HETATM 1083 CAA HEC A 128 9.170 0.516 -1.485 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.634 0.910 -2.924 1.00 10.00 C HETATM 1085 CGA HEC A 128 10.976 0.385 -3.411 1.00 10.00 C HETATM 1086 O1A HEC A 128 10.933 -0.780 -3.822 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.990 1.114 -3.388 1.00 10.00 O HETATM 1088 NB HEC A 128 2.797 1.188 -0.686 1.00 10.00 N HETATM 1089 C1B HEC A 128 3.020 0.307 -1.737 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.740 -0.355 -1.971 1.00 10.00 C HETATM 1091 C3B HEC A 128 0.767 0.182 -1.193 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.475 1.186 -0.445 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.570 -1.422 -3.113 1.00 10.00 C HETATM 1094 CAB HEC A 128 -0.715 -0.077 -1.114 1.00 10.00 C HETATM 1095 CBB HEC A 128 -1.109 -1.183 -0.121 1.00 10.00 C HETATM 1096 NC HEC A 128 2.717 3.563 0.906 1.00 10.00 N HETATM 1097 C1C HEC A 128 1.398 3.262 1.061 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.572 4.234 1.661 1.00 10.00 C HETATM 1099 C3C HEC A 128 1.469 5.180 2.011 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.777 4.815 1.473 1.00 10.00 C HETATM 1101 CMC HEC A 128 -0.897 4.190 1.945 1.00 10.00 C HETATM 1102 CAC HEC A 128 1.267 6.632 2.543 1.00 10.00 C HETATM 1103 CBC HEC A 128 0.157 6.704 3.615 1.00 10.00 C HETATM 1104 ND HEC A 128 5.503 3.822 0.649 1.00 10.00 N HETATM 1105 C1D HEC A 128 5.253 5.019 1.310 1.00 10.00 C HETATM 1106 C2D HEC A 128 6.453 5.656 1.602 1.00 10.00 C HETATM 1107 C3D HEC A 128 7.455 4.875 1.169 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.852 3.660 0.626 1.00 10.00 C HETATM 1109 CMD HEC A 128 6.618 7.027 2.403 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.963 5.133 1.412 1.00 10.00 C HETATM 1111 CBD HEC A 128 9.743 5.303 0.130 1.00 10.00 C HETATM 1112 CGD HEC A 128 10.448 6.626 -0.110 1.00 10.00 C HETATM 1113 O1D HEC A 128 11.065 6.756 -1.201 1.00 10.00 O HETATM 1114 O2D HEC A 128 10.479 7.385 0.884 1.00 10.00 O HETATM 0 HMD3 HEC A 128 6.091 7.822 1.876 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 6.200 6.916 3.404 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 7.676 7.280 2.477 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -1.444 4.061 1.011 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -1.114 3.355 2.611 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -1.204 5.122 2.420 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.794 -0.963 -4.076 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 2.254 -2.253 -2.939 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.544 -1.791 -3.117 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.654 -1.325 -3.654 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.457 -2.262 -2.154 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 6.045 -1.921 -3.181 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 10.493 4.514 0.090 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 9.058 5.135 -0.701 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -0.786 6.364 3.186 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.423 6.066 4.458 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 0.049 7.733 3.958 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 -0.636 -2.120 -0.414 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -0.779 -0.907 0.881 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -2.192 -1.307 -0.125 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 8.870 0.574 -3.625 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 9.661 1.998 -2.980 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 9.080 6.027 2.024 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 9.382 4.302 1.979 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 9.592 1.204 -0.752 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 9.533 -0.480 -1.232 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.945 6.421 2.004 1.00 10.00 H new HETATM 0 HHC HEC A 128 -0.112 1.701 0.882 1.00 10.00 H new HETATM 0 HHB HEC A 128 4.297 -0.924 -2.878 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.620 2.675 0.013 1.00 10.00 H new HETATM 0 HAB HEC A 128 -1.445 0.472 -1.709 1.00 10.00 H new HETATM 0 H2D HEC A 128 11.079 8.138 0.702 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.791 0.564 -3.515 1.00 10.00 H new HETATM 1147 FE HEC A 158 -2.027 -3.464 -8.507 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.168 -6.170 -6.799 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.434 -5.180 -11.410 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.402 -0.632 -10.181 1.00 10.00 C HETATM 1151 CHD HEC A 158 -1.063 -2.049 -5.665 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.658 -5.277 -8.954 1.00 10.00 N HETATM 1153 C1A HEC A 158 -3.087 -6.284 -8.178 1.00 10.00 C HETATM 1154 C2A HEC A 158 -3.749 -7.357 -8.959 1.00 10.00 C HETATM 1155 C3A HEC A 158 -3.501 -7.059 -10.236 1.00 10.00 C HETATM 1156 C4A HEC A 158 -2.879 -5.812 -10.318 1.00 10.00 C HETATM 1157 CMA HEC A 158 -3.968 -7.906 -11.480 1.00 10.00 C HETATM 1158 CAA HEC A 158 -4.311 -8.584 -8.301 1.00 10.00 C HETATM 1159 CBA HEC A 158 -3.542 -9.842 -8.820 1.00 10.00 C HETATM 1160 CGA HEC A 158 -4.298 -10.828 -9.699 1.00 10.00 C HETATM 1161 O1A HEC A 158 -5.514 -10.860 -9.479 1.00 10.00 O HETATM 1162 O2A HEC A 158 -3.694 -11.504 -10.559 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.923 -2.980 -10.448 1.00 10.00 N HETATM 1164 C1B HEC A 158 -1.915 -3.895 -11.495 1.00 10.00 C HETATM 1165 C2B HEC A 158 -1.708 -3.103 -12.703 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.479 -1.801 -12.397 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.571 -1.791 -10.962 1.00 10.00 C HETATM 1168 CMB HEC A 158 -1.612 -3.783 -14.117 1.00 10.00 C HETATM 1169 CAB HEC A 158 -1.130 -0.614 -13.254 1.00 10.00 C HETATM 1170 CBB HEC A 158 -1.930 0.659 -12.926 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.350 -1.674 -7.970 1.00 10.00 N HETATM 1172 C1C HEC A 158 -1.139 -0.574 -8.745 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.565 0.557 -8.131 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.512 0.173 -6.839 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.911 -1.229 -6.745 1.00 10.00 C HETATM 1176 CMC HEC A 158 -0.210 1.885 -8.726 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.184 0.829 -5.605 1.00 10.00 C HETATM 1178 CBC HEC A 158 -0.841 1.276 -4.539 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.087 -4.000 -6.577 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.625 -3.261 -5.496 1.00 10.00 C HETATM 1181 C2D HEC A 158 -1.855 -3.957 -4.316 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.479 -5.105 -4.625 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.699 -5.102 -6.069 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.528 -3.440 -2.841 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.047 -6.121 -3.602 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.335 -7.451 -3.641 1.00 10.00 C HETATM 1187 CGD HEC A 158 -3.079 -8.648 -4.204 1.00 10.00 C HETATM 1188 O1D HEC A 158 -4.283 -8.790 -3.854 1.00 10.00 O HETATM 1189 O2D HEC A 158 -2.360 -9.462 -4.827 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.460 -3.242 -2.753 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -2.084 -2.523 -2.645 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -1.817 -4.201 -2.116 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 0.518 1.743 -9.525 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -1.107 2.354 -9.131 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.218 2.526 -7.955 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -0.775 -4.481 -14.129 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -2.537 -4.321 -14.326 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.457 -3.019 -14.879 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -3.547 -8.909 -11.416 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -5.056 -7.969 -11.489 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -3.624 -7.426 -12.396 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -1.422 -7.323 -4.223 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -2.032 -7.696 -2.623 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 -1.524 2.005 -4.974 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -1.407 0.411 -4.193 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 -0.317 1.727 -3.697 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -2.994 0.466 -13.066 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -1.746 0.948 -11.891 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -1.617 1.466 -13.589 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -2.672 -9.495 -9.378 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -3.168 -10.386 -7.953 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -2.969 -5.702 -2.599 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.107 -6.276 -3.801 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.217 -8.506 -7.218 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -5.374 -8.676 -8.523 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.642 -1.637 -4.748 1.00 10.00 H new HETATM 0 HHC HEC A 158 -1.475 0.322 -10.702 1.00 10.00 H new HETATM 0 HHB HEC A 158 -2.485 -5.740 -12.344 1.00 10.00 H new HETATM 0 HHA HEC A 158 -3.638 -6.987 -6.252 1.00 10.00 H new HETATM 0 HAB HEC A 158 -0.375 -0.653 -14.040 1.00 10.00 H new HETATM 0 H2D HEC A 158 -2.876 -10.273 -5.021 1.00 10.00 H new HETATM 0 H2A HEC A 158 -4.273 -12.232 -10.869 1.00 10.00 H new