USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 HIS : no HD1:sc= 0 X(o=1.2,f=1.1) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.6!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0.246 K(o=0.24,f=-4.6!) USER MOD Set 2.2: A 53 HIS : no HD1:sc=-0.00667 X(o=0.24,f=0.25) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.206 X(o=-0.52,f=-0.47) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.317 X(o=-0.52,f=-0.81) USER MOD Set 4.1: A 5 THR OG1 : rot 16:sc= 0.203 USER MOD Set 4.2: A 14 THR OG1 : rot -19:sc= -0.0556 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.85 K(o=1.9,f=-4.1!) USER MOD Single : A 12 ASN : amide:sc= -0.776 K(o=-0.78,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ -151:sc= 1.17 (180deg=1.13) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= 1.24 (180deg=0.0931) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -165:sc= 1.3 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0875 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -176:sc= 1.12 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.0629 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -8.570 -10.642 -1.534 1.00 10.00 N ATOM 14 CA ASP A 2 -7.617 -10.717 -0.432 1.00 10.00 C ATOM 15 C ASP A 2 -6.215 -10.163 -0.736 1.00 10.00 C ATOM 16 O ASP A 2 -5.700 -9.324 0.004 1.00 10.00 O ATOM 17 CB ASP A 2 -7.568 -12.181 0.030 1.00 10.00 C ATOM 18 CG ASP A 2 -8.927 -12.664 0.507 1.00 10.00 C ATOM 19 OD1 ASP A 2 -9.841 -12.644 -0.347 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.017 -13.017 1.703 1.00 10.00 O ATOM 0 HA ASP A 2 -7.970 -10.058 0.361 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -7.225 -12.811 -0.791 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -6.841 -12.284 0.836 1.00 10.00 H new ATOM 25 N VAL A 3 -5.603 -10.632 -1.823 1.00 10.00 N ATOM 26 CA VAL A 3 -4.341 -10.115 -2.339 1.00 10.00 C ATOM 27 C VAL A 3 -4.582 -9.569 -3.754 1.00 10.00 C ATOM 28 O VAL A 3 -5.029 -10.306 -4.632 1.00 10.00 O ATOM 29 CB VAL A 3 -3.272 -11.223 -2.303 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.915 -10.693 -2.789 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.097 -11.765 -0.876 1.00 10.00 C ATOM 0 H VAL A 3 -5.981 -11.399 -2.380 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.968 -9.299 -1.721 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.612 -12.021 -2.963 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.177 -11.495 -2.754 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.011 -10.333 -3.813 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.592 -9.875 -2.145 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.337 -12.547 -0.874 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.787 -10.956 -0.215 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.043 -12.178 -0.525 1.00 10.00 H new ATOM 41 N VAL A 4 -4.317 -8.277 -3.968 1.00 10.00 N ATOM 42 CA VAL A 4 -4.294 -7.648 -5.289 1.00 10.00 C ATOM 43 C VAL A 4 -2.824 -7.446 -5.700 1.00 10.00 C ATOM 44 O VAL A 4 -1.964 -7.262 -4.844 1.00 10.00 O ATOM 45 CB VAL A 4 -5.071 -6.315 -5.255 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.102 -5.664 -6.642 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.517 -6.455 -4.768 1.00 10.00 C ATOM 0 H VAL A 4 -4.108 -7.626 -3.211 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.783 -8.283 -6.028 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.531 -5.693 -4.541 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.655 -4.726 -6.591 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.083 -5.467 -6.974 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.590 -6.336 -7.348 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.998 -5.477 -4.771 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.060 -7.129 -5.430 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.522 -6.858 -3.755 1.00 10.00 H new ATOM 57 N THR A 5 -2.516 -7.468 -6.999 1.00 10.00 N ATOM 58 CA THR A 5 -1.147 -7.327 -7.505 1.00 10.00 C ATOM 59 C THR A 5 -1.139 -6.452 -8.759 1.00 10.00 C ATOM 60 O THR A 5 -1.775 -6.783 -9.755 1.00 10.00 O ATOM 61 CB THR A 5 -0.550 -8.727 -7.740 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.117 -9.257 -6.507 1.00 10.00 O ATOM 63 CG2 THR A 5 0.689 -8.748 -8.625 1.00 10.00 C ATOM 0 H THR A 5 -3.213 -7.585 -7.734 1.00 10.00 H new ATOM 0 HA THR A 5 -0.516 -6.822 -6.773 1.00 10.00 H new ATOM 0 HB THR A 5 -1.347 -9.292 -8.224 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.514 -8.744 -5.773 1.00 10.00 H new ATOM 0 HG21 THR A 5 1.040 -9.774 -8.735 1.00 10.00 H new ATOM 0 HG22 THR A 5 0.442 -8.341 -9.606 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.473 -8.144 -8.168 1.00 10.00 H new ATOM 71 N TYR A 6 -0.441 -5.314 -8.694 1.00 10.00 N ATOM 72 CA TYR A 6 -0.398 -4.333 -9.773 1.00 10.00 C ATOM 73 C TYR A 6 0.715 -4.681 -10.767 1.00 10.00 C ATOM 74 O TYR A 6 1.871 -4.302 -10.582 1.00 10.00 O ATOM 75 CB TYR A 6 -0.261 -2.915 -9.198 1.00 10.00 C ATOM 76 CG TYR A 6 -1.595 -2.288 -8.786 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.470 -3.003 -7.948 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.996 -1.024 -9.270 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.716 -2.461 -7.594 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.217 -0.452 -8.851 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.084 -1.179 -8.019 1.00 10.00 C ATOM 82 OH TYR A 6 -5.291 -0.694 -7.609 1.00 10.00 O ATOM 0 H TYR A 6 0.114 -5.049 -7.881 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.336 -4.361 -10.328 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.399 -2.946 -8.331 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.217 -2.276 -9.940 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.182 -3.975 -7.575 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.365 -0.491 -9.965 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.397 -3.039 -6.988 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.484 0.545 -9.170 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.423 0.206 -7.974 1.00 10.00 H new ATOM 92 N GLU A 7 0.360 -5.436 -11.805 1.00 10.00 N ATOM 93 CA GLU A 7 1.275 -5.983 -12.799 1.00 10.00 C ATOM 94 C GLU A 7 1.850 -4.909 -13.738 1.00 10.00 C ATOM 95 O GLU A 7 1.440 -4.796 -14.892 1.00 10.00 O ATOM 96 CB GLU A 7 0.566 -7.138 -13.519 1.00 10.00 C ATOM 97 CG GLU A 7 0.121 -8.204 -12.510 1.00 10.00 C ATOM 98 CD GLU A 7 -0.439 -9.456 -13.168 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.536 -9.346 -13.753 1.00 10.00 O ATOM 100 OE2 GLU A 7 0.244 -10.497 -13.058 1.00 10.00 O ATOM 0 H GLU A 7 -0.611 -5.692 -11.981 1.00 10.00 H new ATOM 0 HA GLU A 7 2.162 -6.381 -12.306 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.299 -6.759 -14.063 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.236 -7.582 -14.255 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.970 -8.479 -11.884 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.636 -7.778 -11.851 1.00 10.00 H new ATOM 107 N ASN A 8 2.820 -4.132 -13.237 1.00 10.00 N ATOM 108 CA ASN A 8 3.435 -3.013 -13.944 1.00 10.00 C ATOM 109 C ASN A 8 4.866 -3.315 -14.399 1.00 10.00 C ATOM 110 O ASN A 8 5.530 -4.230 -13.910 1.00 10.00 O ATOM 111 CB ASN A 8 3.406 -1.762 -13.058 1.00 10.00 C ATOM 112 CG ASN A 8 4.364 -1.876 -11.879 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.525 -1.492 -11.977 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.943 -2.491 -10.783 1.00 10.00 N ATOM 0 H ASN A 8 3.205 -4.273 -12.303 1.00 10.00 H new ATOM 0 HA ASN A 8 2.851 -2.838 -14.848 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.668 -0.889 -13.655 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.393 -1.603 -12.688 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.587 -2.650 -10.008 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.975 -2.805 -10.714 1.00 10.00 H new ATOM 121 N ALA A 9 5.355 -2.484 -15.319 1.00 10.00 N ATOM 122 CA ALA A 9 6.670 -2.632 -15.935 1.00 10.00 C ATOM 123 C ALA A 9 7.832 -2.560 -14.934 1.00 10.00 C ATOM 124 O ALA A 9 8.892 -3.124 -15.193 1.00 10.00 O ATOM 125 CB ALA A 9 6.824 -1.563 -17.015 1.00 10.00 C ATOM 0 H ALA A 9 4.838 -1.675 -15.662 1.00 10.00 H new ATOM 0 HA ALA A 9 6.721 -3.631 -16.367 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.802 -1.660 -17.486 1.00 10.00 H new ATOM 0 HB2 ALA A 9 6.045 -1.691 -17.767 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.734 -0.575 -16.564 1.00 10.00 H new ATOM 131 N ALA A 10 7.652 -1.881 -13.796 1.00 10.00 N ATOM 132 CA ALA A 10 8.704 -1.689 -12.802 1.00 10.00 C ATOM 133 C ALA A 10 8.649 -2.736 -11.679 1.00 10.00 C ATOM 134 O ALA A 10 9.102 -2.467 -10.568 1.00 10.00 O ATOM 135 CB ALA A 10 8.604 -0.260 -12.257 1.00 10.00 C ATOM 0 H ALA A 10 6.765 -1.448 -13.541 1.00 10.00 H new ATOM 0 HA ALA A 10 9.673 -1.830 -13.281 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.384 -0.099 -11.512 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.730 0.451 -13.074 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.627 -0.114 -11.797 1.00 10.00 H new ATOM 141 N GLY A 11 8.100 -3.927 -11.948 1.00 10.00 N ATOM 142 CA GLY A 11 7.964 -4.972 -10.934 1.00 10.00 C ATOM 143 C GLY A 11 6.592 -4.869 -10.278 1.00 10.00 C ATOM 144 O GLY A 11 6.192 -3.793 -9.832 1.00 10.00 O ATOM 0 H GLY A 11 7.742 -4.189 -12.866 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.088 -5.954 -11.390 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.747 -4.868 -10.183 1.00 10.00 H new ATOM 148 N ASN A 12 5.852 -5.973 -10.196 1.00 10.00 N ATOM 149 CA ASN A 12 4.580 -5.951 -9.492 1.00 10.00 C ATOM 150 C ASN A 12 4.800 -5.803 -7.988 1.00 10.00 C ATOM 151 O ASN A 12 5.864 -6.138 -7.473 1.00 10.00 O ATOM 152 CB ASN A 12 3.694 -7.132 -9.878 1.00 10.00 C ATOM 153 CG ASN A 12 4.315 -8.495 -9.588 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.491 -8.608 -9.270 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.553 -9.566 -9.748 1.00 10.00 N ATOM 0 H ASN A 12 6.107 -6.874 -10.600 1.00 10.00 H new ATOM 0 HA ASN A 12 4.022 -5.070 -9.807 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.748 -7.054 -9.342 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.464 -7.068 -10.942 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.945 -10.497 -9.606 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.574 -9.460 -10.013 1.00 10.00 H new ATOM 162 N VAL A 13 3.817 -5.204 -7.316 1.00 10.00 N ATOM 163 CA VAL A 13 4.019 -4.585 -6.009 1.00 10.00 C ATOM 164 C VAL A 13 3.314 -5.301 -4.842 1.00 10.00 C ATOM 165 O VAL A 13 3.730 -5.173 -3.694 1.00 10.00 O ATOM 166 CB VAL A 13 3.761 -3.071 -6.110 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.524 -2.730 -6.931 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.632 -2.432 -4.729 1.00 10.00 C ATOM 0 H VAL A 13 2.860 -5.135 -7.663 1.00 10.00 H new ATOM 0 HA VAL A 13 5.065 -4.715 -5.731 1.00 10.00 H new ATOM 0 HB VAL A 13 4.631 -2.663 -6.625 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.397 -1.648 -6.965 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.643 -3.113 -7.945 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.646 -3.185 -6.472 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.450 -1.363 -4.838 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.800 -2.889 -4.193 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.554 -2.588 -4.168 1.00 10.00 H new ATOM 178 N THR A 14 2.250 -6.062 -5.115 1.00 10.00 N ATOM 179 CA THR A 14 1.485 -6.782 -4.090 1.00 10.00 C ATOM 180 C THR A 14 0.815 -5.842 -3.074 1.00 10.00 C ATOM 181 O THR A 14 1.386 -5.385 -2.085 1.00 10.00 O ATOM 182 CB THR A 14 2.280 -7.958 -3.488 1.00 10.00 C ATOM 183 OG1 THR A 14 2.040 -9.082 -4.311 1.00 10.00 O ATOM 184 CG2 THR A 14 1.852 -8.373 -2.078 1.00 10.00 C ATOM 0 H THR A 14 1.892 -6.197 -6.060 1.00 10.00 H new ATOM 0 HA THR A 14 0.640 -7.259 -4.586 1.00 10.00 H new ATOM 0 HB THR A 14 3.318 -7.631 -3.433 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.234 -8.929 -4.847 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.468 -9.206 -1.741 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.977 -7.531 -1.397 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.805 -8.678 -2.090 1.00 10.00 H new ATOM 192 N PHE A 15 -0.453 -5.559 -3.357 1.00 10.00 N ATOM 193 CA PHE A 15 -1.399 -4.890 -2.485 1.00 10.00 C ATOM 194 C PHE A 15 -2.108 -5.953 -1.645 1.00 10.00 C ATOM 195 O PHE A 15 -3.099 -6.542 -2.084 1.00 10.00 O ATOM 196 CB PHE A 15 -2.440 -4.170 -3.347 1.00 10.00 C ATOM 197 CG PHE A 15 -2.070 -2.837 -3.951 1.00 10.00 C ATOM 198 CD1 PHE A 15 -0.855 -2.675 -4.645 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.088 -1.878 -4.098 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.679 -1.578 -5.501 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.924 -0.808 -4.987 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.720 -0.661 -5.694 1.00 10.00 C ATOM 0 H PHE A 15 -0.867 -5.807 -4.256 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.886 -4.174 -1.843 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.717 -4.839 -4.162 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.332 -4.023 -2.738 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.060 -3.395 -4.518 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.999 -1.967 -3.524 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.262 -1.440 -6.013 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.724 -0.096 -5.129 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.597 0.159 -6.386 1.00 10.00 H new ATOM 212 N ASP A 16 -1.642 -6.173 -0.420 1.00 10.00 N ATOM 213 CA ASP A 16 -2.365 -7.008 0.512 1.00 10.00 C ATOM 214 C ASP A 16 -3.654 -6.278 0.906 1.00 10.00 C ATOM 215 O ASP A 16 -3.608 -5.281 1.626 1.00 10.00 O ATOM 216 CB ASP A 16 -1.502 -7.201 1.751 1.00 10.00 C ATOM 217 CG ASP A 16 -0.192 -7.938 1.585 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.025 -8.632 0.562 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.597 -7.801 2.546 1.00 10.00 O ATOM 0 H ASP A 16 -0.771 -5.784 -0.058 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.601 -7.975 0.068 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.283 -6.216 2.165 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.095 -7.734 2.494 1.00 10.00 H new ATOM 224 N HIS A 17 -4.814 -6.760 0.463 1.00 10.00 N ATOM 225 CA HIS A 17 -6.069 -6.196 0.932 1.00 10.00 C ATOM 226 C HIS A 17 -6.364 -6.731 2.337 1.00 10.00 C ATOM 227 O HIS A 17 -6.626 -5.982 3.276 1.00 10.00 O ATOM 228 CB HIS A 17 -7.199 -6.503 -0.068 1.00 10.00 C ATOM 229 CG HIS A 17 -8.167 -5.355 -0.195 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.650 -4.831 -1.371 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.399 -4.428 0.781 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.134 -3.606 -1.097 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.970 -3.299 0.203 1.00 10.00 N ATOM 0 H HIS A 17 -4.907 -7.524 -0.206 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.996 -5.110 0.996 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.769 -6.724 -1.045 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.735 -7.396 0.254 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.643 -5.287 -2.283 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.176 -4.552 1.830 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.594 -2.954 -1.825 1.00 10.00 H new ATOM 241 N LYS A 18 -6.288 -8.056 2.459 1.00 10.00 N ATOM 242 CA LYS A 18 -6.647 -8.825 3.641 1.00 10.00 C ATOM 243 C LYS A 18 -5.427 -9.099 4.537 1.00 10.00 C ATOM 244 O LYS A 18 -5.483 -8.858 5.736 1.00 10.00 O ATOM 245 CB LYS A 18 -7.366 -10.082 3.140 1.00 10.00 C ATOM 246 CG LYS A 18 -8.094 -10.933 4.187 1.00 10.00 C ATOM 247 CD LYS A 18 -7.249 -12.107 4.694 1.00 10.00 C ATOM 248 CE LYS A 18 -8.188 -13.154 5.307 1.00 10.00 C ATOM 249 NZ LYS A 18 -7.434 -14.267 5.914 1.00 10.00 N ATOM 0 H LYS A 18 -5.958 -8.647 1.696 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.319 -8.271 4.297 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -8.092 -9.779 2.386 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.633 -10.715 2.640 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -8.373 -10.302 5.031 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -9.019 -11.317 3.757 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.678 -12.544 3.875 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.529 -11.763 5.437 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.815 -12.683 6.064 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.854 -13.542 4.537 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.004 -15.136 5.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.546 -14.410 5.392 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.220 -14.041 6.906 1.00 10.00 H new ATOM 263 N ALA A 19 -4.301 -9.557 3.979 1.00 10.00 N ATOM 264 CA ALA A 19 -3.111 -9.894 4.769 1.00 10.00 C ATOM 265 C ALA A 19 -2.541 -8.710 5.568 1.00 10.00 C ATOM 266 O ALA A 19 -2.135 -8.875 6.717 1.00 10.00 O ATOM 267 CB ALA A 19 -2.043 -10.505 3.862 1.00 10.00 C ATOM 0 H ALA A 19 -4.189 -9.704 2.976 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.426 -10.624 5.514 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.162 -10.753 4.454 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.435 -11.410 3.397 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.770 -9.788 3.088 1.00 10.00 H new ATOM 273 N HIS A 20 -2.536 -7.502 4.993 1.00 10.00 N ATOM 274 CA HIS A 20 -2.216 -6.295 5.746 1.00 10.00 C ATOM 275 C HIS A 20 -3.296 -6.075 6.817 1.00 10.00 C ATOM 276 O HIS A 20 -2.976 -5.929 7.993 1.00 10.00 O ATOM 277 CB HIS A 20 -2.068 -5.078 4.814 1.00 10.00 C ATOM 278 CG HIS A 20 -0.650 -4.709 4.423 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.315 -5.580 3.974 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.114 -3.441 4.354 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.394 -4.853 3.662 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.203 -3.534 3.875 1.00 10.00 N ATOM 0 H HIS A 20 -2.750 -7.340 4.009 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.253 -6.418 6.241 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.636 -5.271 3.904 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.526 -4.216 5.299 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.225 -6.593 3.894 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.623 -2.527 4.624 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.313 -5.274 3.283 1.00 10.00 H new ATOM 290 N ALA A 21 -4.578 -6.090 6.426 1.00 10.00 N ATOM 291 CA ALA A 21 -5.707 -5.912 7.340 1.00 10.00 C ATOM 292 C ALA A 21 -5.627 -6.794 8.591 1.00 10.00 C ATOM 293 O ALA A 21 -5.872 -6.300 9.687 1.00 10.00 O ATOM 294 CB ALA A 21 -7.031 -6.142 6.620 1.00 10.00 C ATOM 0 H ALA A 21 -4.860 -6.228 5.455 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.652 -4.879 7.682 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.855 -6.004 7.320 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.128 -5.430 5.801 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.058 -7.157 6.224 1.00 10.00 H new ATOM 300 N GLU A 22 -5.255 -8.066 8.434 1.00 10.00 N ATOM 301 CA GLU A 22 -5.039 -9.008 9.530 1.00 10.00 C ATOM 302 C GLU A 22 -4.124 -8.431 10.636 1.00 10.00 C ATOM 303 O GLU A 22 -4.343 -8.682 11.819 1.00 10.00 O ATOM 304 CB GLU A 22 -4.462 -10.308 8.947 1.00 10.00 C ATOM 305 CG GLU A 22 -5.441 -11.043 8.008 1.00 10.00 C ATOM 306 CD GLU A 22 -6.239 -12.153 8.674 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.797 -11.905 9.761 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.314 -13.230 8.040 1.00 10.00 O ATOM 0 H GLU A 22 -5.092 -8.479 7.516 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.995 -9.209 10.014 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.548 -10.078 8.400 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.185 -10.973 9.765 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.135 -10.316 7.586 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.878 -11.466 7.176 1.00 10.00 H new ATOM 315 N LYS A 23 -3.102 -7.647 10.258 1.00 10.00 N ATOM 316 CA LYS A 23 -2.224 -6.917 11.181 1.00 10.00 C ATOM 317 C LYS A 23 -2.798 -5.528 11.538 1.00 10.00 C ATOM 318 O LYS A 23 -2.713 -5.090 12.681 1.00 10.00 O ATOM 319 CB LYS A 23 -0.818 -6.783 10.550 1.00 10.00 C ATOM 320 CG LYS A 23 0.281 -7.515 11.339 1.00 10.00 C ATOM 321 CD LYS A 23 1.652 -7.279 10.673 1.00 10.00 C ATOM 322 CE LYS A 23 2.809 -7.854 11.508 1.00 10.00 C ATOM 323 NZ LYS A 23 4.131 -7.665 10.857 1.00 10.00 N ATOM 0 H LYS A 23 -2.859 -7.501 9.278 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.154 -7.481 12.111 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.846 -7.174 9.533 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.560 -5.726 10.478 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.301 -7.158 12.369 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.064 -8.583 11.376 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.657 -7.737 9.684 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.806 -6.209 10.530 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.818 -7.376 12.487 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.639 -8.918 11.675 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.876 -8.070 11.460 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 4.135 -8.144 9.934 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.309 -6.649 10.721 1.00 10.00 H new ATOM 337 N LEU A 24 -3.322 -4.818 10.534 1.00 10.00 N ATOM 338 CA LEU A 24 -3.721 -3.411 10.573 1.00 10.00 C ATOM 339 C LEU A 24 -5.130 -3.160 11.149 1.00 10.00 C ATOM 340 O LEU A 24 -5.249 -2.457 12.146 1.00 10.00 O ATOM 341 CB LEU A 24 -3.567 -2.839 9.161 1.00 10.00 C ATOM 342 CG LEU A 24 -2.119 -2.757 8.638 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.114 -1.991 7.311 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.159 -2.048 9.601 1.00 10.00 C ATOM 0 H LEU A 24 -3.488 -5.237 9.619 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.064 -2.894 11.273 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.150 -3.451 8.473 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.000 -1.839 9.143 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.769 -3.783 8.524 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.094 -1.927 6.932 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.738 -2.514 6.587 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.506 -0.986 7.469 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.159 -2.027 9.168 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.502 -1.027 9.771 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.133 -2.585 10.549 1.00 10.00 H new ATOM 356 N GLY A 25 -6.182 -3.710 10.526 1.00 10.00 N ATOM 357 CA GLY A 25 -7.577 -3.570 10.972 1.00 10.00 C ATOM 358 C GLY A 25 -8.504 -2.741 10.065 1.00 10.00 C ATOM 359 O GLY A 25 -9.484 -2.178 10.547 1.00 10.00 O ATOM 0 H GLY A 25 -6.086 -4.275 9.682 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.004 -4.567 11.077 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.575 -3.118 11.964 1.00 10.00 H new ATOM 363 N CYS A 26 -8.227 -2.689 8.753 1.00 10.00 N ATOM 364 CA CYS A 26 -8.881 -1.866 7.717 1.00 10.00 C ATOM 365 C CYS A 26 -8.652 -0.358 7.924 1.00 10.00 C ATOM 366 O CYS A 26 -8.168 0.323 7.017 1.00 10.00 O ATOM 367 CB CYS A 26 -10.363 -2.136 7.577 1.00 10.00 C ATOM 368 SG CYS A 26 -10.893 -3.868 7.390 1.00 10.00 S ATOM 0 H CYS A 26 -7.484 -3.264 8.356 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.397 -2.170 6.789 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.863 -1.725 8.454 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.725 -1.579 6.713 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.188 -3.917 7.286 1.00 10.00 H new ATOM 373 N ASP A 27 -9.014 0.150 9.106 1.00 10.00 N ATOM 374 CA ASP A 27 -8.882 1.517 9.591 1.00 10.00 C ATOM 375 C ASP A 27 -7.601 2.198 9.092 1.00 10.00 C ATOM 376 O ASP A 27 -7.636 3.263 8.478 1.00 10.00 O ATOM 377 CB ASP A 27 -8.999 1.492 11.128 1.00 10.00 C ATOM 378 CG ASP A 27 -7.895 0.729 11.856 1.00 10.00 C ATOM 379 OD1 ASP A 27 -7.264 -0.138 11.209 1.00 10.00 O ATOM 380 OD2 ASP A 27 -7.689 1.056 13.042 1.00 10.00 O ATOM 0 H ASP A 27 -9.448 -0.447 9.810 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.685 2.131 9.184 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.008 2.520 11.492 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.959 1.051 11.395 1.00 10.00 H new ATOM 385 N ALA A 28 -6.474 1.517 9.295 1.00 10.00 N ATOM 386 CA ALA A 28 -5.134 1.877 8.862 1.00 10.00 C ATOM 387 C ALA A 28 -5.053 2.426 7.424 1.00 10.00 C ATOM 388 O ALA A 28 -4.209 3.275 7.145 1.00 10.00 O ATOM 389 CB ALA A 28 -4.285 0.618 9.002 1.00 10.00 C ATOM 0 H ALA A 28 -6.480 0.634 9.805 1.00 10.00 H new ATOM 0 HA ALA A 28 -4.776 2.698 9.484 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.263 0.832 8.689 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.285 0.293 10.042 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -4.699 -0.172 8.375 1.00 10.00 H new ATOM 395 N CYS A 29 -5.897 1.932 6.509 1.00 10.00 N ATOM 396 CA CYS A 29 -5.933 2.356 5.106 1.00 10.00 C ATOM 397 C CYS A 29 -7.234 3.102 4.751 1.00 10.00 C ATOM 398 O CYS A 29 -7.424 3.514 3.606 1.00 10.00 O ATOM 399 CB CYS A 29 -5.801 1.138 4.227 1.00 10.00 C ATOM 400 SG CYS A 29 -4.187 0.284 4.370 1.00 10.00 S ATOM 0 H CYS A 29 -6.586 1.213 6.729 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.107 3.048 4.944 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.595 0.435 4.477 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -5.953 1.434 3.189 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.171 -0.748 3.580 1.00 10.00 H new ATOM 405 N HIS A 30 -8.165 3.240 5.698 1.00 10.00 N ATOM 406 CA HIS A 30 -9.555 3.554 5.408 1.00 10.00 C ATOM 407 C HIS A 30 -10.261 4.202 6.605 1.00 10.00 C ATOM 408 O HIS A 30 -10.639 3.511 7.547 1.00 10.00 O ATOM 409 CB HIS A 30 -10.254 2.241 5.041 1.00 10.00 C ATOM 410 CG HIS A 30 -9.896 1.633 3.719 1.00 10.00 C ATOM 411 ND1 HIS A 30 -9.848 2.270 2.509 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.752 0.304 3.478 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.656 1.333 1.557 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.589 0.107 2.098 1.00 10.00 N ATOM 0 H HIS A 30 -7.968 3.135 6.693 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.598 4.273 4.590 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.037 1.511 5.821 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.330 2.413 5.056 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.761 -0.474 4.227 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.568 1.542 0.501 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.450 -0.778 1.611 1.00 10.00 H new ATOM 422 N GLU A 31 -10.514 5.510 6.539 1.00 10.00 N ATOM 423 CA GLU A 31 -11.148 6.258 7.615 1.00 10.00 C ATOM 424 C GLU A 31 -12.626 5.875 7.871 1.00 10.00 C ATOM 425 O GLU A 31 -13.564 6.589 7.522 1.00 10.00 O ATOM 426 CB GLU A 31 -10.902 7.758 7.388 1.00 10.00 C ATOM 427 CG GLU A 31 -11.423 8.311 6.048 1.00 10.00 C ATOM 428 CD GLU A 31 -11.006 9.760 5.837 1.00 10.00 C ATOM 429 OE1 GLU A 31 -11.481 10.608 6.623 1.00 10.00 O ATOM 430 OE2 GLU A 31 -10.215 9.986 4.897 1.00 10.00 O ATOM 0 H GLU A 31 -10.281 6.082 5.727 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.679 5.977 8.558 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.371 8.314 8.200 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.830 7.948 7.449 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -11.043 7.700 5.229 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -12.510 8.238 6.022 1.00 10.00 H new ATOM 437 N GLY A 32 -12.846 4.719 8.505 1.00 10.00 N ATOM 438 CA GLY A 32 -14.168 4.231 8.894 1.00 10.00 C ATOM 439 C GLY A 32 -14.957 3.664 7.710 1.00 10.00 C ATOM 440 O GLY A 32 -15.318 2.490 7.709 1.00 10.00 O ATOM 0 H GLY A 32 -12.092 4.084 8.767 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.057 3.459 9.655 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.734 5.046 9.346 1.00 10.00 H new ATOM 444 N THR A 33 -15.218 4.494 6.696 1.00 10.00 N ATOM 445 CA THR A 33 -15.881 4.096 5.452 1.00 10.00 C ATOM 446 C THR A 33 -14.836 3.699 4.399 1.00 10.00 C ATOM 447 O THR A 33 -14.187 4.581 3.836 1.00 10.00 O ATOM 448 CB THR A 33 -16.754 5.251 4.933 1.00 10.00 C ATOM 449 OG1 THR A 33 -17.717 5.592 5.906 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.518 4.859 3.665 1.00 10.00 C ATOM 0 H THR A 33 -14.969 5.483 6.718 1.00 10.00 H new ATOM 0 HA THR A 33 -16.519 3.234 5.648 1.00 10.00 H new ATOM 0 HB THR A 33 -16.086 6.084 4.716 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.271 6.329 5.574 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.123 5.701 3.330 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.809 4.587 2.883 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.166 4.009 3.879 1.00 10.00 H new ATOM 458 N PRO A 34 -14.641 2.403 4.102 1.00 10.00 N ATOM 459 CA PRO A 34 -13.695 1.986 3.078 1.00 10.00 C ATOM 460 C PRO A 34 -14.247 2.272 1.676 1.00 10.00 C ATOM 461 O PRO A 34 -15.457 2.252 1.460 1.00 10.00 O ATOM 462 CB PRO A 34 -13.506 0.489 3.312 1.00 10.00 C ATOM 463 CG PRO A 34 -14.880 0.055 3.820 1.00 10.00 C ATOM 464 CD PRO A 34 -15.314 1.246 4.674 1.00 10.00 C ATOM 0 HA PRO A 34 -12.751 2.527 3.139 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.229 -0.033 2.396 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.722 0.289 4.042 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.575 -0.130 3.001 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.824 -0.863 4.404 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.397 1.371 4.651 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.032 1.104 5.717 1.00 10.00 H new ATOM 472 N ALA A 35 -13.356 2.542 0.717 1.00 10.00 N ATOM 473 CA ALA A 35 -13.723 2.925 -0.644 1.00 10.00 C ATOM 474 C ALA A 35 -12.520 2.802 -1.591 1.00 10.00 C ATOM 475 O ALA A 35 -11.384 2.637 -1.144 1.00 10.00 O ATOM 476 CB ALA A 35 -14.276 4.357 -0.629 1.00 10.00 C ATOM 0 H ALA A 35 -12.348 2.499 0.869 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.494 2.250 -1.016 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.552 4.651 -1.642 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.155 4.401 0.014 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.514 5.037 -0.249 1.00 10.00 H new ATOM 482 N LYS A 36 -12.767 2.881 -2.905 1.00 10.00 N ATOM 483 CA LYS A 36 -11.716 2.748 -3.913 1.00 10.00 C ATOM 484 C LYS A 36 -10.850 4.014 -4.053 1.00 10.00 C ATOM 485 O LYS A 36 -11.166 4.945 -4.801 1.00 10.00 O ATOM 486 CB LYS A 36 -12.276 2.222 -5.239 1.00 10.00 C ATOM 487 CG LYS A 36 -13.219 3.197 -5.959 1.00 10.00 C ATOM 488 CD LYS A 36 -12.602 3.705 -7.274 1.00 10.00 C ATOM 489 CE LYS A 36 -13.117 5.111 -7.607 1.00 10.00 C ATOM 490 NZ LYS A 36 -12.367 6.128 -6.840 1.00 10.00 N ATOM 0 H LYS A 36 -13.697 3.038 -3.294 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.020 1.988 -3.557 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.444 1.983 -5.902 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.810 1.291 -5.050 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.167 2.702 -6.167 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.438 4.043 -5.307 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.515 3.721 -7.189 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -12.849 3.020 -8.086 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -13.011 5.301 -8.675 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -14.180 5.181 -7.374 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -13.030 6.830 -6.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.856 5.668 -6.060 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.686 6.603 -7.467 1.00 10.00 H new ATOM 504 N ILE A 37 -9.749 4.044 -3.304 1.00 10.00 N ATOM 505 CA ILE A 37 -8.761 5.122 -3.311 1.00 10.00 C ATOM 506 C ILE A 37 -7.748 4.869 -4.431 1.00 10.00 C ATOM 507 O ILE A 37 -6.725 4.232 -4.215 1.00 10.00 O ATOM 508 CB ILE A 37 -8.075 5.204 -1.939 1.00 10.00 C ATOM 509 CG1 ILE A 37 -9.113 5.507 -0.846 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.995 6.302 -1.926 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.599 5.026 0.505 1.00 10.00 C ATOM 0 H ILE A 37 -9.512 3.294 -2.654 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.248 6.079 -3.499 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.602 4.241 -1.744 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.312 6.578 -0.809 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -10.057 5.015 -1.082 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.525 6.339 -0.943 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.241 6.079 -2.681 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.454 7.266 -2.145 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -9.339 5.244 1.275 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -8.422 3.951 0.465 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.667 5.538 0.743 1.00 10.00 H new ATOM 523 N ALA A 38 -8.056 5.371 -5.624 1.00 10.00 N ATOM 524 CA ALA A 38 -7.339 5.063 -6.867 1.00 10.00 C ATOM 525 C ALA A 38 -5.807 5.147 -6.763 1.00 10.00 C ATOM 526 O ALA A 38 -5.244 6.227 -6.547 1.00 10.00 O ATOM 527 CB ALA A 38 -7.848 5.954 -7.997 1.00 10.00 C ATOM 0 H ALA A 38 -8.831 6.020 -5.761 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.554 4.016 -7.082 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.311 5.719 -8.916 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.914 5.780 -8.145 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.683 7.000 -7.738 1.00 10.00 H new ATOM 533 N ILE A 39 -5.127 4.012 -6.939 1.00 10.00 N ATOM 534 CA ILE A 39 -3.680 3.923 -6.763 1.00 10.00 C ATOM 535 C ILE A 39 -2.898 4.045 -8.078 1.00 10.00 C ATOM 536 O ILE A 39 -3.043 3.224 -8.981 1.00 10.00 O ATOM 537 CB ILE A 39 -3.308 2.656 -5.988 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.024 2.608 -4.627 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.790 2.634 -5.803 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.665 3.742 -3.655 1.00 10.00 C ATOM 0 H ILE A 39 -5.565 3.131 -7.207 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.380 4.787 -6.170 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.627 1.778 -6.549 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.100 2.628 -4.800 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.796 1.656 -4.148 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.504 1.738 -5.252 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.305 2.631 -6.779 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.479 3.517 -5.246 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.223 3.616 -2.727 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.596 3.714 -3.443 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.921 4.701 -4.105 1.00 10.00 H new ATOM 552 N ASP A 40 -2.025 5.056 -8.142 1.00 10.00 N ATOM 553 CA ASP A 40 -1.094 5.308 -9.235 1.00 10.00 C ATOM 554 C ASP A 40 0.128 6.061 -8.679 1.00 10.00 C ATOM 555 O ASP A 40 0.188 6.387 -7.487 1.00 10.00 O ATOM 556 CB ASP A 40 -1.867 6.118 -10.302 1.00 10.00 C ATOM 557 CG ASP A 40 -1.034 6.687 -11.440 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.142 5.945 -11.903 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.217 7.884 -11.747 1.00 10.00 O ATOM 0 H ASP A 40 -1.949 5.749 -7.397 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.719 4.393 -9.694 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.638 5.476 -10.728 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.377 6.943 -9.804 1.00 10.00 H new ATOM 564 N LYS A 41 1.084 6.380 -9.553 1.00 10.00 N ATOM 565 CA LYS A 41 2.259 7.214 -9.292 1.00 10.00 C ATOM 566 C LYS A 41 1.916 8.705 -9.072 1.00 10.00 C ATOM 567 O LYS A 41 2.516 9.602 -9.661 1.00 10.00 O ATOM 568 CB LYS A 41 3.308 6.971 -10.391 1.00 10.00 C ATOM 569 CG LYS A 41 2.865 7.441 -11.788 1.00 10.00 C ATOM 570 CD LYS A 41 3.530 6.585 -12.876 1.00 10.00 C ATOM 571 CE LYS A 41 2.888 6.845 -14.243 1.00 10.00 C ATOM 572 NZ LYS A 41 3.517 6.012 -15.290 1.00 10.00 N ATOM 0 H LYS A 41 1.058 6.045 -10.516 1.00 10.00 H new ATOM 0 HA LYS A 41 2.694 6.913 -8.339 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.230 7.486 -10.120 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.538 5.906 -10.432 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.781 7.373 -11.875 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.131 8.489 -11.928 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.596 6.810 -12.921 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.438 5.529 -12.621 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.821 6.630 -14.194 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.989 7.899 -14.502 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 3.065 6.206 -16.206 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.531 6.236 -15.350 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.398 5.007 -15.052 1.00 10.00 H new ATOM 586 N LYS A 42 0.956 8.957 -8.178 1.00 10.00 N ATOM 587 CA LYS A 42 0.468 10.257 -7.722 1.00 10.00 C ATOM 588 C LYS A 42 -0.050 10.123 -6.284 1.00 10.00 C ATOM 589 O LYS A 42 0.306 10.910 -5.412 1.00 10.00 O ATOM 590 CB LYS A 42 -0.661 10.765 -8.632 1.00 10.00 C ATOM 591 CG LYS A 42 -0.187 11.125 -10.044 1.00 10.00 C ATOM 592 CD LYS A 42 -1.334 11.805 -10.802 1.00 10.00 C ATOM 593 CE LYS A 42 -0.860 12.265 -12.184 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.971 12.854 -12.962 1.00 10.00 N ATOM 0 H LYS A 42 0.461 8.193 -7.718 1.00 10.00 H new ATOM 0 HA LYS A 42 1.288 10.974 -7.759 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -1.435 10.000 -8.700 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -1.119 11.642 -8.175 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.676 11.789 -9.993 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.133 10.227 -10.573 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -2.169 11.113 -10.908 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.699 12.660 -10.232 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.062 12.999 -12.072 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -0.441 11.419 -12.728 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -1.621 13.157 -13.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -2.721 12.145 -13.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.354 13.676 -12.453 1.00 10.00 H new ATOM 608 N SER A 43 -0.886 9.109 -6.040 1.00 10.00 N ATOM 609 CA SER A 43 -1.383 8.728 -4.726 1.00 10.00 C ATOM 610 C SER A 43 -0.356 7.877 -3.973 1.00 10.00 C ATOM 611 O SER A 43 0.087 8.260 -2.886 1.00 10.00 O ATOM 612 CB SER A 43 -2.707 7.977 -4.927 1.00 10.00 C ATOM 613 OG SER A 43 -2.616 7.093 -6.037 1.00 10.00 O ATOM 0 H SER A 43 -1.245 8.512 -6.785 1.00 10.00 H new ATOM 0 HA SER A 43 -1.552 9.613 -4.113 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.953 7.415 -4.026 1.00 10.00 H new ATOM 0 HB3 SER A 43 -3.515 8.690 -5.088 1.00 10.00 H new ATOM 0 HG SER A 43 -3.515 6.806 -6.301 1.00 10.00 H new ATOM 619 N ALA A 44 0.031 6.732 -4.553 1.00 10.00 N ATOM 620 CA ALA A 44 1.015 5.840 -3.940 1.00 10.00 C ATOM 621 C ALA A 44 2.356 6.544 -3.765 1.00 10.00 C ATOM 622 O ALA A 44 2.793 6.804 -2.649 1.00 10.00 O ATOM 623 CB ALA A 44 1.179 4.541 -4.731 1.00 10.00 C ATOM 0 H ALA A 44 -0.327 6.404 -5.450 1.00 10.00 H new ATOM 0 HA ALA A 44 0.638 5.573 -2.953 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.919 3.908 -4.241 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.224 4.017 -4.773 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.511 4.771 -5.743 1.00 10.00 H new ATOM 629 N HIS A 45 3.006 6.914 -4.871 1.00 10.00 N ATOM 630 CA HIS A 45 4.314 7.570 -4.838 1.00 10.00 C ATOM 631 C HIS A 45 4.259 9.052 -4.396 1.00 10.00 C ATOM 632 O HIS A 45 5.017 9.890 -4.879 1.00 10.00 O ATOM 633 CB HIS A 45 4.996 7.386 -6.205 1.00 10.00 C ATOM 634 CG HIS A 45 5.923 6.204 -6.315 1.00 10.00 C ATOM 635 ND1 HIS A 45 7.252 6.316 -6.631 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.595 4.871 -6.358 1.00 10.00 C ATOM 637 CE1 HIS A 45 7.715 5.083 -6.864 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.753 4.157 -6.703 1.00 10.00 N ATOM 0 H HIS A 45 2.641 6.767 -5.812 1.00 10.00 H new ATOM 0 HA HIS A 45 4.914 7.089 -4.066 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.223 7.291 -6.967 1.00 10.00 H new ATOM 0 HB3 HIS A 45 5.560 8.290 -6.434 1.00 10.00 H new ATOM 0 HD2 HIS A 45 4.621 4.448 -6.162 1.00 10.00 H new ATOM 0 HE1 HIS A 45 8.733 4.859 -7.146 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.846 3.147 -6.809 1.00 10.00 H new ATOM 646 N LYS A 46 3.418 9.369 -3.411 1.00 10.00 N ATOM 647 CA LYS A 46 3.576 10.538 -2.559 1.00 10.00 C ATOM 648 C LYS A 46 3.380 10.115 -1.105 1.00 10.00 C ATOM 649 O LYS A 46 4.315 10.210 -0.312 1.00 10.00 O ATOM 650 CB LYS A 46 2.583 11.642 -2.937 1.00 10.00 C ATOM 651 CG LYS A 46 2.913 12.274 -4.294 1.00 10.00 C ATOM 652 CD LYS A 46 2.039 13.517 -4.519 1.00 10.00 C ATOM 653 CE LYS A 46 2.650 14.746 -3.829 1.00 10.00 C ATOM 654 NZ LYS A 46 1.704 15.881 -3.795 1.00 10.00 N ATOM 0 H LYS A 46 2.596 8.809 -3.183 1.00 10.00 H new ATOM 0 HA LYS A 46 4.578 10.945 -2.695 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.575 11.228 -2.966 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.589 12.414 -2.167 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.967 12.549 -4.330 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.744 11.551 -5.092 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.938 13.707 -5.587 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.036 13.337 -4.131 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.941 14.485 -2.812 1.00 10.00 H new ATOM 0 HE3 LYS A 46 3.557 15.044 -4.354 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.152 16.692 -3.322 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.445 16.147 -4.767 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.848 15.604 -3.272 1.00 10.00 H new ATOM 668 N ASP A 47 2.167 9.655 -0.780 1.00 10.00 N ATOM 669 CA ASP A 47 1.744 9.446 0.596 1.00 10.00 C ATOM 670 C ASP A 47 1.105 8.070 0.836 1.00 10.00 C ATOM 671 O ASP A 47 1.513 7.357 1.756 1.00 10.00 O ATOM 672 CB ASP A 47 0.835 10.611 0.997 1.00 10.00 C ATOM 673 CG ASP A 47 0.610 10.600 2.496 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.464 11.192 3.192 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.369 9.952 2.916 1.00 10.00 O ATOM 0 H ASP A 47 1.454 9.419 -1.470 1.00 10.00 H new ATOM 0 HA ASP A 47 2.623 9.435 1.241 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.287 11.556 0.696 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.120 10.534 0.477 1.00 10.00 H new ATOM 680 N ALA A 48 0.133 7.657 0.012 1.00 10.00 N ATOM 681 CA ALA A 48 -0.512 6.364 0.212 1.00 10.00 C ATOM 682 C ALA A 48 0.531 5.234 0.175 1.00 10.00 C ATOM 683 O ALA A 48 1.382 5.192 -0.710 1.00 10.00 O ATOM 684 CB ALA A 48 -1.635 6.163 -0.810 1.00 10.00 C ATOM 0 H ALA A 48 -0.215 8.192 -0.784 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.973 6.340 1.199 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.106 5.194 -0.647 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.378 6.952 -0.694 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.221 6.200 -1.818 1.00 10.00 H new ATOM 690 N CYS A 49 0.526 4.357 1.183 1.00 10.00 N ATOM 691 CA CYS A 49 1.522 3.294 1.362 1.00 10.00 C ATOM 692 C CYS A 49 2.887 3.859 1.789 1.00 10.00 C ATOM 693 O CYS A 49 3.350 3.587 2.898 1.00 10.00 O ATOM 694 CB CYS A 49 1.601 2.369 0.158 1.00 10.00 C ATOM 695 SG CYS A 49 -0.076 1.987 -0.463 1.00 10.00 S ATOM 0 H CYS A 49 -0.186 4.366 1.914 1.00 10.00 H new ATOM 0 HA CYS A 49 1.184 2.667 2.187 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.190 2.838 -0.631 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.113 1.447 0.433 1.00 10.00 H new ATOM 0 HG CYS A 49 0.012 1.198 -1.492 1.00 10.00 H new ATOM 700 N LYS A 50 3.523 4.673 0.936 1.00 10.00 N ATOM 701 CA LYS A 50 4.795 5.334 1.214 1.00 10.00 C ATOM 702 C LYS A 50 4.888 5.968 2.613 1.00 10.00 C ATOM 703 O LYS A 50 5.820 5.654 3.353 1.00 10.00 O ATOM 704 CB LYS A 50 5.063 6.358 0.104 1.00 10.00 C ATOM 705 CG LYS A 50 5.533 5.667 -1.187 1.00 10.00 C ATOM 706 CD LYS A 50 7.013 5.919 -1.502 1.00 10.00 C ATOM 707 CE LYS A 50 7.942 5.314 -0.443 1.00 10.00 C ATOM 708 NZ LYS A 50 9.361 5.549 -0.787 1.00 10.00 N ATOM 0 H LYS A 50 3.153 4.892 0.011 1.00 10.00 H new ATOM 0 HA LYS A 50 5.571 4.569 1.220 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.156 6.929 -0.095 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.820 7.069 0.436 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.364 4.594 -1.099 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.926 6.018 -2.021 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.252 5.495 -2.477 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.191 6.992 -1.568 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.723 5.752 0.531 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.757 4.243 -0.360 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.970 5.130 -0.055 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.573 5.110 -1.706 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.540 6.572 -0.842 1.00 10.00 H new ATOM 722 N THR A 51 3.958 6.851 2.992 1.00 10.00 N ATOM 723 CA THR A 51 4.009 7.537 4.287 1.00 10.00 C ATOM 724 C THR A 51 3.757 6.591 5.464 1.00 10.00 C ATOM 725 O THR A 51 4.450 6.695 6.472 1.00 10.00 O ATOM 726 CB THR A 51 3.092 8.769 4.321 1.00 10.00 C ATOM 727 OG1 THR A 51 3.634 9.734 3.452 1.00 10.00 O ATOM 728 CG2 THR A 51 3.036 9.426 5.703 1.00 10.00 C ATOM 0 H THR A 51 3.156 7.108 2.416 1.00 10.00 H new ATOM 0 HA THR A 51 5.030 7.901 4.405 1.00 10.00 H new ATOM 0 HB THR A 51 2.091 8.438 4.043 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.101 10.555 3.501 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.374 10.291 5.668 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.658 8.709 6.432 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.036 9.747 5.994 1.00 10.00 H new ATOM 736 N CYS A 52 2.818 5.643 5.360 1.00 10.00 N ATOM 737 CA CYS A 52 2.645 4.634 6.416 1.00 10.00 C ATOM 738 C CYS A 52 3.941 3.846 6.618 1.00 10.00 C ATOM 739 O CYS A 52 4.456 3.747 7.731 1.00 10.00 O ATOM 740 CB CYS A 52 1.495 3.704 6.123 1.00 10.00 C ATOM 741 SG CYS A 52 1.354 2.521 7.504 1.00 10.00 S ATOM 0 H CYS A 52 2.177 5.552 4.572 1.00 10.00 H new ATOM 0 HA CYS A 52 2.406 5.162 7.339 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.569 4.268 6.009 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.663 3.175 5.185 1.00 10.00 H new ATOM 0 HG CYS A 52 0.367 1.706 7.278 1.00 10.00 H new ATOM 746 N HIS A 53 4.499 3.330 5.520 1.00 10.00 N ATOM 747 CA HIS A 53 5.802 2.686 5.517 1.00 10.00 C ATOM 748 C HIS A 53 6.877 3.566 6.202 1.00 10.00 C ATOM 749 O HIS A 53 7.488 3.138 7.177 1.00 10.00 O ATOM 750 CB HIS A 53 6.120 2.290 4.068 1.00 10.00 C ATOM 751 CG HIS A 53 5.339 1.110 3.538 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.621 0.450 2.372 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.303 0.439 4.132 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.779 -0.596 2.273 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.944 -0.654 3.320 1.00 10.00 N ATOM 0 H HIS A 53 4.051 3.351 4.604 1.00 10.00 H new ATOM 0 HA HIS A 53 5.796 1.778 6.119 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.932 3.149 3.424 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.184 2.064 3.995 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.838 0.705 5.070 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.777 -1.299 1.454 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.209 -1.340 3.491 1.00 10.00 H new ATOM 763 N LYS A 54 7.082 4.806 5.737 1.00 10.00 N ATOM 764 CA LYS A 54 7.984 5.764 6.388 1.00 10.00 C ATOM 765 C LYS A 54 7.675 6.005 7.874 1.00 10.00 C ATOM 766 O LYS A 54 8.587 6.226 8.666 1.00 10.00 O ATOM 767 CB LYS A 54 7.974 7.097 5.653 1.00 10.00 C ATOM 768 CG LYS A 54 8.751 7.040 4.340 1.00 10.00 C ATOM 769 CD LYS A 54 9.404 8.413 4.169 1.00 10.00 C ATOM 770 CE LYS A 54 10.129 8.585 2.831 1.00 10.00 C ATOM 771 NZ LYS A 54 10.793 9.907 2.763 1.00 10.00 N ATOM 0 H LYS A 54 6.628 5.172 4.900 1.00 10.00 H new ATOM 0 HA LYS A 54 8.972 5.307 6.339 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.944 7.390 5.451 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.404 7.866 6.294 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.504 6.252 4.367 1.00 10.00 H new ATOM 0 HG3 LYS A 54 8.087 6.818 3.504 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.639 9.184 4.260 1.00 10.00 H new ATOM 0 HD3 LYS A 54 10.114 8.572 4.981 1.00 10.00 H new ATOM 0 HE2 LYS A 54 10.869 7.794 2.708 1.00 10.00 H new ATOM 0 HE3 LYS A 54 9.418 8.487 2.011 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 11.279 10.005 1.849 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 10.081 10.659 2.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 11.486 9.987 3.534 1.00 10.00 H new ATOM 859 N LYS A 61 12.554 0.524 0.580 1.00 10.00 N ATOM 860 CA LYS A 61 13.420 0.154 -0.539 1.00 10.00 C ATOM 861 C LYS A 61 12.543 -0.248 -1.740 1.00 10.00 C ATOM 862 O LYS A 61 11.539 -0.937 -1.552 1.00 10.00 O ATOM 863 CB LYS A 61 14.376 -0.976 -0.102 1.00 10.00 C ATOM 864 CG LYS A 61 13.655 -2.318 0.103 1.00 10.00 C ATOM 865 CD LYS A 61 14.506 -3.406 0.777 1.00 10.00 C ATOM 866 CE LYS A 61 14.485 -3.258 2.304 1.00 10.00 C ATOM 867 NZ LYS A 61 15.159 -4.384 2.984 1.00 10.00 N ATOM 0 HA LYS A 61 14.038 0.998 -0.845 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.155 -1.098 -0.854 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.871 -0.689 0.826 1.00 10.00 H new ATOM 0 HG2 LYS A 61 12.763 -2.148 0.706 1.00 10.00 H new ATOM 0 HG3 LYS A 61 13.319 -2.687 -0.866 1.00 10.00 H new ATOM 0 HD2 LYS A 61 14.130 -4.390 0.499 1.00 10.00 H new ATOM 0 HD3 LYS A 61 15.533 -3.344 0.417 1.00 10.00 H new ATOM 0 HE2 LYS A 61 14.972 -2.324 2.583 1.00 10.00 H new ATOM 0 HE3 LYS A 61 13.452 -3.195 2.647 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 15.120 -4.241 4.013 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 14.680 -5.274 2.740 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 16.152 -4.430 2.678 1.00 10.00 H new ATOM 881 N CYS A 62 12.888 0.177 -2.966 1.00 10.00 N ATOM 882 CA CYS A 62 12.101 -0.120 -4.175 1.00 10.00 C ATOM 883 C CYS A 62 11.749 -1.609 -4.255 1.00 10.00 C ATOM 884 O CYS A 62 10.576 -1.989 -4.254 1.00 10.00 O ATOM 885 CB CYS A 62 12.842 0.283 -5.431 1.00 10.00 C ATOM 886 SG CYS A 62 13.597 1.932 -5.371 1.00 10.00 S ATOM 0 H CYS A 62 13.721 0.737 -3.148 1.00 10.00 H new ATOM 0 HA CYS A 62 11.182 0.463 -4.104 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.623 -0.452 -5.627 1.00 10.00 H new ATOM 0 HB3 CYS A 62 12.150 0.246 -6.272 1.00 10.00 H new ATOM 0 HG CYS A 62 14.205 2.172 -6.495 1.00 10.00 H new ATOM 891 N GLY A 63 12.799 -2.438 -4.231 1.00 10.00 N ATOM 892 CA GLY A 63 12.744 -3.892 -4.316 1.00 10.00 C ATOM 893 C GLY A 63 12.153 -4.594 -3.084 1.00 10.00 C ATOM 894 O GLY A 63 12.297 -5.806 -2.952 1.00 10.00 O ATOM 0 H GLY A 63 13.754 -2.091 -4.148 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.154 -4.167 -5.190 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.753 -4.269 -4.481 1.00 10.00 H new ATOM 898 N GLY A 64 11.547 -3.837 -2.160 1.00 10.00 N ATOM 899 CA GLY A 64 10.748 -4.346 -1.049 1.00 10.00 C ATOM 900 C GLY A 64 9.251 -4.178 -1.324 1.00 10.00 C ATOM 901 O GLY A 64 8.441 -4.946 -0.818 1.00 10.00 O ATOM 0 H GLY A 64 11.605 -2.819 -2.170 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.975 -5.400 -0.887 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.014 -3.818 -0.134 1.00 10.00 H new ATOM 905 N CYS A 65 8.879 -3.192 -2.154 1.00 10.00 N ATOM 906 CA CYS A 65 7.532 -3.113 -2.712 1.00 10.00 C ATOM 907 C CYS A 65 7.495 -3.884 -4.032 1.00 10.00 C ATOM 908 O CYS A 65 6.809 -4.891 -4.143 1.00 10.00 O ATOM 909 CB CYS A 65 7.116 -1.677 -2.900 1.00 10.00 C ATOM 910 SG CYS A 65 6.570 -0.908 -1.339 1.00 10.00 S ATOM 0 H CYS A 65 9.499 -2.438 -2.451 1.00 10.00 H new ATOM 0 HA CYS A 65 6.821 -3.564 -2.020 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.951 -1.109 -3.310 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.308 -1.627 -3.630 1.00 10.00 H new ATOM 0 HG CYS A 65 6.227 0.326 -1.560 1.00 10.00 H new ATOM 915 N HIS A 66 8.247 -3.429 -5.034 1.00 10.00 N ATOM 916 CA HIS A 66 8.273 -4.069 -6.341 1.00 10.00 C ATOM 917 C HIS A 66 9.115 -5.362 -6.297 1.00 10.00 C ATOM 918 O HIS A 66 10.200 -5.363 -5.721 1.00 10.00 O ATOM 919 CB HIS A 66 8.813 -3.055 -7.357 1.00 10.00 C ATOM 920 CG HIS A 66 7.975 -1.817 -7.497 1.00 10.00 C ATOM 921 ND1 HIS A 66 7.026 -1.630 -8.456 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.101 -0.635 -6.823 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.580 -0.368 -8.375 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.208 0.294 -7.391 1.00 10.00 N ATOM 0 H HIS A 66 8.851 -2.610 -4.960 1.00 10.00 H new ATOM 0 HA HIS A 66 7.269 -4.369 -6.642 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.822 -2.766 -7.063 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.891 -3.539 -8.330 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.708 -2.332 -9.124 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.770 -0.446 -5.997 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.820 0.057 -9.014 1.00 10.00 H new ATOM 932 N ILE A 67 8.654 -6.453 -6.919 1.00 10.00 N ATOM 933 CA ILE A 67 9.483 -7.656 -7.066 1.00 10.00 C ATOM 934 C ILE A 67 10.785 -7.354 -7.835 1.00 10.00 C ATOM 935 O ILE A 67 10.824 -6.472 -8.693 1.00 10.00 O ATOM 936 CB ILE A 67 8.682 -8.797 -7.726 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.419 -9.172 -6.931 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.533 -10.058 -7.949 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.666 -9.589 -5.476 1.00 10.00 C ATOM 0 H ILE A 67 7.721 -6.529 -7.325 1.00 10.00 H new ATOM 0 HA ILE A 67 9.772 -7.988 -6.069 1.00 10.00 H new ATOM 0 HB ILE A 67 8.376 -8.404 -8.696 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.738 -8.321 -6.938 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.914 -9.989 -7.446 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.923 -10.831 -8.416 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.375 -9.819 -8.599 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.906 -10.420 -6.991 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.716 -9.834 -5.001 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.318 -10.462 -5.453 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.140 -8.768 -4.938 1.00 10.00 H new ATOM 951 N LYS A 68 11.847 -8.099 -7.514 1.00 10.00 N ATOM 952 CA LYS A 68 13.146 -8.083 -8.170 1.00 10.00 C ATOM 953 C LYS A 68 13.729 -9.503 -8.139 1.00 10.00 C ATOM 954 O LYS A 68 13.205 -10.304 -7.328 1.00 10.00 O ATOM 955 CB LYS A 68 14.078 -7.084 -7.472 1.00 10.00 C ATOM 956 CG LYS A 68 14.192 -7.402 -5.977 1.00 10.00 C ATOM 957 CD LYS A 68 15.457 -6.773 -5.386 1.00 10.00 C ATOM 958 CE LYS A 68 15.580 -7.177 -3.913 1.00 10.00 C ATOM 959 NZ LYS A 68 16.854 -6.701 -3.334 1.00 10.00 N ATOM 960 OXT LYS A 68 14.703 -9.746 -8.883 1.00 10.00 O ATOM 0 H LYS A 68 11.815 -8.766 -6.743 1.00 10.00 H new ATOM 0 HA LYS A 68 13.040 -7.764 -9.207 1.00 10.00 H new ATOM 0 HB2 LYS A 68 15.065 -7.118 -7.932 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.699 -6.071 -7.605 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.314 -7.027 -5.452 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.214 -8.482 -5.830 1.00 10.00 H new ATOM 0 HD2 LYS A 68 16.335 -7.104 -5.941 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.414 -5.688 -5.475 1.00 10.00 H new ATOM 0 HE2 LYS A 68 14.744 -6.764 -3.349 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.520 -8.262 -3.824 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 16.911 -6.988 -2.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.650 -7.115 -3.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.899 -5.664 -3.399 1.00 10.00 H new