USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 572 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 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 6 TYR OH : rot 76:sc= 1.22 USER MOD Set 1.2: A 130 HEC O2D : rot -115:sc= 1.24 USER MOD Set 2.1: A 36 LYS NZ :NH3+ -173:sc= 1.13 (180deg=-0.0818) USER MOD Set 2.2: A 130 HEC O2A : rot -110:sc= 0.255 USER MOD Set 3.1: A 51 THR OG1 : rot -173:sc= 1.35 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -174:sc= 0.612 (180deg=-0.0034) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.212 USER MOD Set 4.2: A 14 THR OG1 : rot -19:sc= 0.133 USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.165 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 1.1 K(o=1.1,f=-4.3!) USER MOD Single : A 12 ASN : amide:sc= -0.316 K(o=-0.32,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0.512! (180deg=0.333!) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00884) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.09) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= 1.21 (180deg=-1.09) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.81) USER MOD Single : A 57 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.36) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.019) USER MOD Single : A 153 HEC O2A : rot 165:sc= 0 USER MOD Single : A 153 HEC O2D : rot 166:sc= 0 USER MOD Single : A 166 HEC O2A : rot 140:sc= 0.403 USER MOD Single : A 166 HEC O2D : rot 24:sc= -1.74 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.895 -6.743 -4.007 1.00 10.00 N ATOM 2 CA ALA A 1 -10.907 -8.171 -3.613 1.00 10.00 C ATOM 3 C ALA A 1 -9.868 -8.432 -2.519 1.00 10.00 C ATOM 4 O ALA A 1 -9.056 -7.550 -2.253 1.00 10.00 O ATOM 5 CB ALA A 1 -10.655 -9.061 -4.835 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.815 -6.313 -3.784 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.145 -6.245 -3.486 1.00 10.00 H new ATOM 0 H3 ALA A 1 -10.716 -6.666 -5.029 1.00 10.00 H new ATOM 0 HA ALA A 1 -11.890 -8.417 -3.210 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -10.666 -10.108 -4.531 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -11.435 -8.890 -5.577 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -9.684 -8.819 -5.267 1.00 10.00 H new ATOM 13 N ASP A 2 -9.895 -9.609 -1.899 1.00 10.00 N ATOM 14 CA ASP A 2 -8.874 -10.105 -0.990 1.00 10.00 C ATOM 15 C ASP A 2 -7.535 -10.321 -1.727 1.00 10.00 C ATOM 16 O ASP A 2 -7.503 -10.919 -2.797 1.00 10.00 O ATOM 17 CB ASP A 2 -9.418 -11.376 -0.313 1.00 10.00 C ATOM 18 CG ASP A 2 -9.986 -12.409 -1.280 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.896 -12.020 -2.049 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.528 -13.566 -1.197 1.00 10.00 O ATOM 0 H ASP A 2 -10.663 -10.269 -2.024 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.654 -9.373 -0.213 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.616 -11.838 0.264 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -10.197 -11.092 0.395 1.00 10.00 H new ATOM 25 N VAL A 3 -6.445 -9.779 -1.164 1.00 10.00 N ATOM 26 CA VAL A 3 -5.073 -9.835 -1.681 1.00 10.00 C ATOM 27 C VAL A 3 -4.982 -9.561 -3.194 1.00 10.00 C ATOM 28 O VAL A 3 -4.927 -10.471 -4.018 1.00 10.00 O ATOM 29 CB VAL A 3 -4.388 -11.142 -1.248 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.920 -11.188 -1.702 1.00 10.00 C ATOM 31 CG2 VAL A 3 -4.403 -11.275 0.281 1.00 10.00 C ATOM 0 H VAL A 3 -6.502 -9.261 -0.287 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.515 -9.014 -1.230 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.943 -11.956 -1.714 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.468 -12.126 -1.378 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.873 -11.119 -2.789 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.376 -10.352 -1.261 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.914 -12.205 0.570 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.872 -10.433 0.725 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -5.434 -11.281 0.636 1.00 10.00 H new ATOM 41 N VAL A 4 -4.940 -8.277 -3.557 1.00 10.00 N ATOM 42 CA VAL A 4 -4.826 -7.831 -4.945 1.00 10.00 C ATOM 43 C VAL A 4 -3.338 -7.723 -5.324 1.00 10.00 C ATOM 44 O VAL A 4 -2.482 -7.576 -4.456 1.00 10.00 O ATOM 45 CB VAL A 4 -5.599 -6.507 -5.135 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.675 -6.083 -6.609 1.00 10.00 C ATOM 47 CG2 VAL A 4 -7.029 -6.611 -4.592 1.00 10.00 C ATOM 0 H VAL A 4 -4.985 -7.510 -2.886 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.279 -8.556 -5.621 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.041 -5.756 -4.576 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.228 -5.147 -6.690 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.667 -5.944 -7.000 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.184 -6.856 -7.184 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.545 -5.663 -4.742 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.562 -7.401 -5.120 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.998 -6.843 -3.527 1.00 10.00 H new ATOM 57 N THR A 5 -3.012 -7.781 -6.615 1.00 10.00 N ATOM 58 CA THR A 5 -1.641 -7.675 -7.119 1.00 10.00 C ATOM 59 C THR A 5 -1.647 -6.828 -8.400 1.00 10.00 C ATOM 60 O THR A 5 -2.582 -6.924 -9.186 1.00 10.00 O ATOM 61 CB THR A 5 -1.051 -9.092 -7.276 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.314 -9.430 -6.115 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.135 -9.279 -8.482 1.00 10.00 C ATOM 0 H THR A 5 -3.705 -7.905 -7.354 1.00 10.00 H new ATOM 0 HA THR A 5 -0.983 -7.157 -6.421 1.00 10.00 H new ATOM 0 HB THR A 5 -1.912 -9.742 -7.429 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.059 -10.331 -6.215 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.229 -10.306 -8.506 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.690 -9.069 -9.396 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.711 -8.596 -8.406 1.00 10.00 H new ATOM 71 N TYR A 6 -0.661 -5.929 -8.537 1.00 10.00 N ATOM 72 CA TYR A 6 -0.572 -4.915 -9.597 1.00 10.00 C ATOM 73 C TYR A 6 0.634 -5.181 -10.504 1.00 10.00 C ATOM 74 O TYR A 6 1.748 -4.735 -10.214 1.00 10.00 O ATOM 75 CB TYR A 6 -0.466 -3.520 -8.956 1.00 10.00 C ATOM 76 CG TYR A 6 -1.784 -2.808 -8.728 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.841 -3.439 -8.047 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.896 -1.454 -9.081 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.987 -2.702 -7.689 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.022 -0.714 -8.700 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.084 -1.341 -8.033 1.00 10.00 C ATOM 82 OH TYR A 6 -5.112 -0.574 -7.583 1.00 10.00 O ATOM 0 H TYR A 6 0.125 -5.887 -7.888 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.470 -4.963 -10.213 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.046 -3.617 -7.998 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.161 -2.894 -9.591 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.774 -4.488 -7.799 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.109 -0.980 -9.650 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.791 -3.182 -7.151 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.073 0.342 -8.920 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.964 -0.348 -6.641 1.00 10.00 H new ATOM 92 N GLU A 7 0.428 -5.918 -11.592 1.00 10.00 N ATOM 93 CA GLU A 7 1.490 -6.489 -12.410 1.00 10.00 C ATOM 94 C GLU A 7 2.052 -5.467 -13.404 1.00 10.00 C ATOM 95 O GLU A 7 1.843 -5.549 -14.613 1.00 10.00 O ATOM 96 CB GLU A 7 0.968 -7.779 -13.059 1.00 10.00 C ATOM 97 CG GLU A 7 0.218 -8.650 -12.026 1.00 10.00 C ATOM 98 CD GLU A 7 -1.298 -8.522 -12.128 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.751 -7.361 -12.223 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.957 -9.581 -12.084 1.00 10.00 O ATOM 0 H GLU A 7 -0.506 -6.139 -11.937 1.00 10.00 H new ATOM 0 HA GLU A 7 2.345 -6.755 -11.789 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.301 -7.532 -13.885 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.801 -8.342 -13.480 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.499 -9.694 -12.166 1.00 10.00 H new ATOM 0 HG3 GLU A 7 0.534 -8.367 -11.022 1.00 10.00 H new ATOM 107 N ASN A 8 2.774 -4.488 -12.858 1.00 10.00 N ATOM 108 CA ASN A 8 3.310 -3.349 -13.584 1.00 10.00 C ATOM 109 C ASN A 8 4.716 -3.630 -14.131 1.00 10.00 C ATOM 110 O ASN A 8 5.381 -4.585 -13.729 1.00 10.00 O ATOM 111 CB ASN A 8 3.286 -2.137 -12.651 1.00 10.00 C ATOM 112 CG ASN A 8 4.255 -2.294 -11.489 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.423 -1.937 -11.585 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.811 -2.868 -10.382 1.00 10.00 N ATOM 0 H ASN A 8 3.006 -4.471 -11.865 1.00 10.00 H new ATOM 0 HA ASN A 8 2.692 -3.146 -14.459 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.539 -1.240 -13.216 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.276 -1.996 -12.265 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.444 -3.018 -9.596 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.836 -3.161 -10.315 1.00 10.00 H new ATOM 121 N ALA A 9 5.189 -2.769 -15.030 1.00 10.00 N ATOM 122 CA ALA A 9 6.468 -2.950 -15.709 1.00 10.00 C ATOM 123 C ALA A 9 7.665 -2.811 -14.766 1.00 10.00 C ATOM 124 O ALA A 9 8.749 -3.300 -15.076 1.00 10.00 O ATOM 125 CB ALA A 9 6.584 -1.942 -16.850 1.00 10.00 C ATOM 0 H ALA A 9 4.693 -1.923 -15.308 1.00 10.00 H new ATOM 0 HA ALA A 9 6.489 -3.968 -16.098 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.539 -2.076 -17.358 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.771 -2.099 -17.558 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.525 -0.930 -16.449 1.00 10.00 H new ATOM 131 N ALA A 10 7.480 -2.152 -13.617 1.00 10.00 N ATOM 132 CA ALA A 10 8.550 -1.906 -12.660 1.00 10.00 C ATOM 133 C ALA A 10 8.572 -2.942 -11.525 1.00 10.00 C ATOM 134 O ALA A 10 9.164 -2.665 -10.485 1.00 10.00 O ATOM 135 CB ALA A 10 8.408 -0.474 -12.131 1.00 10.00 C ATOM 0 H ALA A 10 6.577 -1.775 -13.329 1.00 10.00 H new ATOM 0 HA ALA A 10 9.511 -2.014 -13.164 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.202 -0.271 -11.412 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.482 0.229 -12.961 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.440 -0.360 -11.644 1.00 10.00 H new ATOM 141 N GLY A 11 7.937 -4.111 -11.696 1.00 10.00 N ATOM 142 CA GLY A 11 7.874 -5.145 -10.652 1.00 10.00 C ATOM 143 C GLY A 11 6.534 -5.105 -9.924 1.00 10.00 C ATOM 144 O GLY A 11 6.110 -4.038 -9.483 1.00 10.00 O ATOM 0 H GLY A 11 7.455 -4.366 -12.558 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.020 -6.128 -11.099 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.684 -4.996 -9.938 1.00 10.00 H new ATOM 148 N ASN A 12 5.846 -6.239 -9.770 1.00 10.00 N ATOM 149 CA ASN A 12 4.556 -6.245 -9.078 1.00 10.00 C ATOM 150 C ASN A 12 4.734 -5.878 -7.601 1.00 10.00 C ATOM 151 O ASN A 12 5.838 -5.964 -7.073 1.00 10.00 O ATOM 152 CB ASN A 12 3.740 -7.544 -9.244 1.00 10.00 C ATOM 153 CG ASN A 12 4.275 -8.538 -10.275 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.458 -8.856 -10.295 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.420 -9.080 -11.130 1.00 10.00 N ATOM 0 H ASN A 12 6.154 -7.150 -10.109 1.00 10.00 H new ATOM 0 HA ASN A 12 3.956 -5.479 -9.569 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.689 -8.045 -8.277 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.720 -7.277 -9.520 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.745 -9.767 -11.810 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.436 -8.811 -11.108 1.00 10.00 H new ATOM 162 N VAL A 13 3.654 -5.431 -6.956 1.00 10.00 N ATOM 163 CA VAL A 13 3.735 -4.756 -5.658 1.00 10.00 C ATOM 164 C VAL A 13 3.076 -5.521 -4.496 1.00 10.00 C ATOM 165 O VAL A 13 3.526 -5.420 -3.358 1.00 10.00 O ATOM 166 CB VAL A 13 3.151 -3.348 -5.838 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.626 -3.360 -5.771 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.694 -2.387 -4.786 1.00 10.00 C ATOM 0 H VAL A 13 2.704 -5.526 -7.316 1.00 10.00 H new ATOM 0 HA VAL A 13 4.782 -4.707 -5.357 1.00 10.00 H new ATOM 0 HB VAL A 13 3.456 -3.005 -6.827 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.248 -2.346 -5.902 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.232 -3.999 -6.561 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.307 -3.743 -4.802 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.262 -1.398 -4.939 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.430 -2.748 -3.792 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.779 -2.327 -4.873 1.00 10.00 H new ATOM 178 N THR A 14 1.980 -6.239 -4.775 1.00 10.00 N ATOM 179 CA THR A 14 1.096 -6.875 -3.802 1.00 10.00 C ATOM 180 C THR A 14 0.358 -5.852 -2.919 1.00 10.00 C ATOM 181 O THR A 14 0.935 -5.168 -2.082 1.00 10.00 O ATOM 182 CB THR A 14 1.800 -8.017 -3.052 1.00 10.00 C ATOM 183 OG1 THR A 14 1.835 -9.141 -3.910 1.00 10.00 O ATOM 184 CG2 THR A 14 1.072 -8.449 -1.780 1.00 10.00 C ATOM 0 H THR A 14 1.675 -6.397 -5.735 1.00 10.00 H new ATOM 0 HA THR A 14 0.290 -7.367 -4.347 1.00 10.00 H new ATOM 0 HB THR A 14 2.788 -7.654 -2.768 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.164 -9.034 -4.617 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.624 -9.258 -1.302 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.002 -7.603 -1.096 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.070 -8.794 -2.034 1.00 10.00 H new ATOM 192 N PHE A 15 -0.948 -5.740 -3.166 1.00 10.00 N ATOM 193 CA PHE A 15 -1.949 -5.032 -2.366 1.00 10.00 C ATOM 194 C PHE A 15 -2.654 -5.996 -1.400 1.00 10.00 C ATOM 195 O PHE A 15 -3.660 -6.619 -1.745 1.00 10.00 O ATOM 196 CB PHE A 15 -3.000 -4.433 -3.307 1.00 10.00 C ATOM 197 CG PHE A 15 -2.740 -3.034 -3.798 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.662 -2.806 -4.668 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.752 -2.068 -3.660 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.604 -1.620 -5.416 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.738 -0.924 -4.469 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.662 -0.702 -5.341 1.00 10.00 C ATOM 0 H PHE A 15 -1.364 -6.173 -3.990 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.450 -4.252 -1.791 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.095 -5.087 -4.174 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.962 -4.442 -2.794 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.878 -3.543 -4.762 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.538 -2.207 -2.933 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.750 -1.415 -6.045 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.552 -0.216 -4.421 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.648 0.183 -5.960 1.00 10.00 H new ATOM 212 N ASP A 16 -2.163 -6.092 -0.170 1.00 10.00 N ATOM 213 CA ASP A 16 -2.536 -7.112 0.798 1.00 10.00 C ATOM 214 C ASP A 16 -3.926 -6.906 1.445 1.00 10.00 C ATOM 215 O ASP A 16 -4.046 -6.923 2.668 1.00 10.00 O ATOM 216 CB ASP A 16 -1.460 -7.047 1.888 1.00 10.00 C ATOM 217 CG ASP A 16 -0.026 -6.999 1.403 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.307 -5.967 0.784 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.706 -7.958 1.713 1.00 10.00 O ATOM 0 H ASP A 16 -1.469 -5.437 0.192 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.602 -8.074 0.289 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.645 -6.165 2.501 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.575 -7.916 2.536 1.00 10.00 H new ATOM 224 N HIS A 17 -4.992 -6.736 0.654 1.00 10.00 N ATOM 225 CA HIS A 17 -6.310 -6.309 1.138 1.00 10.00 C ATOM 226 C HIS A 17 -6.790 -7.070 2.381 1.00 10.00 C ATOM 227 O HIS A 17 -7.355 -6.483 3.300 1.00 10.00 O ATOM 228 CB HIS A 17 -7.352 -6.431 0.014 1.00 10.00 C ATOM 229 CG HIS A 17 -8.111 -5.153 -0.221 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.111 -4.441 -1.391 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.687 -4.367 0.741 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.651 -3.242 -1.123 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.001 -3.124 0.174 1.00 10.00 N ATOM 0 H HIS A 17 -4.963 -6.893 -0.353 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.199 -5.267 1.440 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.851 -6.725 -0.908 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.056 -7.225 0.262 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.766 -4.762 -2.296 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.869 -4.656 1.765 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -8.789 -2.464 -1.859 1.00 10.00 H new ATOM 241 N LYS A 18 -6.554 -8.383 2.379 1.00 10.00 N ATOM 242 CA LYS A 18 -6.869 -9.295 3.469 1.00 10.00 C ATOM 243 C LYS A 18 -5.680 -9.384 4.443 1.00 10.00 C ATOM 244 O LYS A 18 -5.807 -9.021 5.606 1.00 10.00 O ATOM 245 CB LYS A 18 -7.273 -10.646 2.848 1.00 10.00 C ATOM 246 CG LYS A 18 -8.421 -11.380 3.558 1.00 10.00 C ATOM 247 CD LYS A 18 -8.008 -12.044 4.882 1.00 10.00 C ATOM 248 CE LYS A 18 -8.591 -13.466 4.966 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.275 -14.119 6.255 1.00 10.00 N ATOM 0 H LYS A 18 -6.121 -8.854 1.585 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.707 -8.939 4.068 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.559 -10.478 1.810 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.399 -11.298 2.837 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -9.227 -10.672 3.753 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.821 -12.142 2.889 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.921 -12.084 4.954 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.362 -11.447 5.723 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.672 -13.423 4.837 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.196 -14.069 4.148 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.700 -15.068 6.277 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.243 -14.199 6.360 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.659 -13.549 7.036 1.00 10.00 H new ATOM 263 N ALA A 19 -4.509 -9.835 3.976 1.00 10.00 N ATOM 264 CA ALA A 19 -3.333 -10.101 4.806 1.00 10.00 C ATOM 265 C ALA A 19 -2.879 -8.905 5.651 1.00 10.00 C ATOM 266 O ALA A 19 -2.585 -9.071 6.833 1.00 10.00 O ATOM 267 CB ALA A 19 -2.197 -10.605 3.916 1.00 10.00 C ATOM 0 H ALA A 19 -4.352 -10.029 2.987 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.618 -10.865 5.529 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.317 -10.805 4.528 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.507 -11.522 3.415 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.956 -9.848 3.170 1.00 10.00 H new ATOM 273 N HIS A 20 -2.837 -7.692 5.084 1.00 10.00 N ATOM 274 CA HIS A 20 -2.627 -6.505 5.905 1.00 10.00 C ATOM 275 C HIS A 20 -3.773 -6.359 6.917 1.00 10.00 C ATOM 276 O HIS A 20 -3.530 -6.304 8.120 1.00 10.00 O ATOM 277 CB HIS A 20 -2.447 -5.234 5.055 1.00 10.00 C ATOM 278 CG HIS A 20 -1.025 -4.924 4.642 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.051 -5.855 4.383 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.482 -3.684 4.397 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.047 -5.189 3.996 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.851 -3.856 3.997 1.00 10.00 N ATOM 0 H HIS A 20 -2.943 -7.514 4.085 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.695 -6.634 6.455 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.056 -5.330 4.156 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.838 -4.385 5.615 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.145 -6.867 4.469 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.995 -2.739 4.496 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.976 -5.664 3.717 1.00 10.00 H new ATOM 290 N ALA A 21 -5.026 -6.321 6.447 1.00 10.00 N ATOM 291 CA ALA A 21 -6.212 -6.163 7.293 1.00 10.00 C ATOM 292 C ALA A 21 -6.262 -7.114 8.496 1.00 10.00 C ATOM 293 O ALA A 21 -6.684 -6.707 9.575 1.00 10.00 O ATOM 294 CB ALA A 21 -7.477 -6.314 6.457 1.00 10.00 C ATOM 0 H ALA A 21 -5.246 -6.400 5.454 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.147 -5.158 7.709 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.352 -6.195 7.096 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.491 -5.553 5.677 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.494 -7.303 5.999 1.00 10.00 H new ATOM 300 N GLU A 22 -5.814 -8.358 8.332 1.00 10.00 N ATOM 301 CA GLU A 22 -5.736 -9.352 9.400 1.00 10.00 C ATOM 302 C GLU A 22 -4.982 -8.833 10.644 1.00 10.00 C ATOM 303 O GLU A 22 -5.264 -9.260 11.760 1.00 10.00 O ATOM 304 CB GLU A 22 -5.113 -10.630 8.820 1.00 10.00 C ATOM 305 CG GLU A 22 -5.960 -11.170 7.652 1.00 10.00 C ATOM 306 CD GLU A 22 -6.624 -12.509 7.887 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.052 -13.524 7.434 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.824 -12.527 8.241 1.00 10.00 O ATOM 0 H GLU A 22 -5.488 -8.710 7.432 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.740 -9.572 9.762 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -4.100 -10.422 8.475 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.035 -11.388 9.599 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.733 -10.438 7.419 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.322 -11.251 6.772 1.00 10.00 H new ATOM 315 N LYS A 23 -4.044 -7.894 10.459 1.00 10.00 N ATOM 316 CA LYS A 23 -3.419 -7.118 11.525 1.00 10.00 C ATOM 317 C LYS A 23 -4.028 -5.707 11.637 1.00 10.00 C ATOM 318 O LYS A 23 -4.346 -5.240 12.727 1.00 10.00 O ATOM 319 CB LYS A 23 -1.921 -7.027 11.215 1.00 10.00 C ATOM 320 CG LYS A 23 -1.206 -8.346 11.531 1.00 10.00 C ATOM 321 CD LYS A 23 0.262 -8.243 11.091 1.00 10.00 C ATOM 322 CE LYS A 23 1.089 -9.465 11.515 1.00 10.00 C ATOM 323 NZ LYS A 23 1.341 -9.479 12.972 1.00 10.00 N ATOM 0 H LYS A 23 -3.692 -7.650 9.533 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.590 -7.611 12.482 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.780 -6.777 10.164 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.475 -6.221 11.797 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.264 -8.558 12.599 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.696 -9.172 11.015 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.307 -8.136 10.007 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.704 -7.343 11.518 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.564 -10.376 11.228 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.040 -9.463 10.982 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 1.945 -10.291 13.212 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 1.819 -8.598 13.250 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 0.437 -9.558 13.480 1.00 10.00 H new ATOM 337 N LEU A 24 -4.130 -5.008 10.505 1.00 10.00 N ATOM 338 CA LEU A 24 -4.412 -3.580 10.411 1.00 10.00 C ATOM 339 C LEU A 24 -5.884 -3.181 10.652 1.00 10.00 C ATOM 340 O LEU A 24 -6.159 -2.038 11.006 1.00 10.00 O ATOM 341 CB LEU A 24 -3.963 -3.099 9.025 1.00 10.00 C ATOM 342 CG LEU A 24 -2.459 -3.152 8.708 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.206 -2.286 7.468 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.582 -2.619 9.845 1.00 10.00 C ATOM 0 H LEU A 24 -4.013 -5.444 9.590 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.860 -3.099 11.218 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.486 -3.695 8.277 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.297 -2.069 8.902 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.194 -4.198 8.554 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.145 -2.306 7.221 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.782 -2.676 6.628 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.512 -1.260 7.672 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.533 -2.685 9.557 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.839 -1.579 10.046 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.749 -3.214 10.743 1.00 10.00 H new ATOM 356 N GLY A 25 -6.841 -4.081 10.426 1.00 10.00 N ATOM 357 CA GLY A 25 -8.259 -3.855 10.708 1.00 10.00 C ATOM 358 C GLY A 25 -8.930 -2.753 9.879 1.00 10.00 C ATOM 359 O GLY A 25 -9.720 -1.980 10.410 1.00 10.00 O ATOM 0 H GLY A 25 -6.650 -5.003 10.035 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.797 -4.788 10.543 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.366 -3.607 11.764 1.00 10.00 H new ATOM 363 N CYS A 26 -8.632 -2.703 8.575 1.00 10.00 N ATOM 364 CA CYS A 26 -9.234 -1.841 7.546 1.00 10.00 C ATOM 365 C CYS A 26 -8.928 -0.347 7.729 1.00 10.00 C ATOM 366 O CYS A 26 -8.369 0.276 6.829 1.00 10.00 O ATOM 367 CB CYS A 26 -10.724 -2.054 7.408 1.00 10.00 C ATOM 368 SG CYS A 26 -11.278 -3.785 7.271 1.00 10.00 S ATOM 0 H CYS A 26 -7.911 -3.308 8.181 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.753 -2.154 6.619 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.216 -1.604 8.270 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.068 -1.513 6.526 1.00 10.00 H new ATOM 373 N ASP A 27 -9.288 0.238 8.875 1.00 10.00 N ATOM 374 CA ASP A 27 -9.210 1.672 9.145 1.00 10.00 C ATOM 375 C ASP A 27 -7.769 2.205 9.240 1.00 10.00 C ATOM 376 O ASP A 27 -7.511 3.403 9.234 1.00 10.00 O ATOM 377 CB ASP A 27 -10.056 1.985 10.384 1.00 10.00 C ATOM 378 CG ASP A 27 -11.538 1.810 10.098 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.998 2.423 9.109 1.00 10.00 O ATOM 380 OD2 ASP A 27 -12.183 1.071 10.869 1.00 10.00 O ATOM 0 H ASP A 27 -9.654 -0.294 9.665 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.622 2.209 8.291 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.761 1.329 11.203 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.864 3.008 10.709 1.00 10.00 H new ATOM 385 N ALA A 28 -6.791 1.304 9.223 1.00 10.00 N ATOM 386 CA ALA A 28 -5.411 1.651 8.920 1.00 10.00 C ATOM 387 C ALA A 28 -5.228 2.256 7.513 1.00 10.00 C ATOM 388 O ALA A 28 -4.277 3.000 7.282 1.00 10.00 O ATOM 389 CB ALA A 28 -4.632 0.356 9.029 1.00 10.00 C ATOM 0 H ALA A 28 -6.935 0.314 9.419 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.065 2.419 9.612 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.581 0.545 8.812 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.729 -0.043 10.039 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.026 -0.367 8.314 1.00 10.00 H new ATOM 395 N CYS A 29 -6.108 1.902 6.565 1.00 10.00 N ATOM 396 CA CYS A 29 -6.080 2.348 5.169 1.00 10.00 C ATOM 397 C CYS A 29 -7.366 3.098 4.772 1.00 10.00 C ATOM 398 O CYS A 29 -7.513 3.537 3.633 1.00 10.00 O ATOM 399 CB CYS A 29 -5.956 1.140 4.281 1.00 10.00 C ATOM 400 SG CYS A 29 -4.379 0.223 4.416 1.00 10.00 S ATOM 0 H CYS A 29 -6.887 1.273 6.760 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.235 3.027 5.055 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.774 0.457 4.510 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.085 1.457 3.246 1.00 10.00 H new ATOM 405 N HIS A 30 -8.327 3.203 5.690 1.00 10.00 N ATOM 406 CA HIS A 30 -9.686 3.652 5.443 1.00 10.00 C ATOM 407 C HIS A 30 -10.190 4.455 6.650 1.00 10.00 C ATOM 408 O HIS A 30 -9.508 4.511 7.665 1.00 10.00 O ATOM 409 CB HIS A 30 -10.525 2.397 5.135 1.00 10.00 C ATOM 410 CG HIS A 30 -10.260 1.752 3.798 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.323 2.373 2.579 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.050 0.426 3.558 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.129 1.436 1.626 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.958 0.219 2.167 1.00 10.00 N ATOM 0 H HIS A 30 -8.166 2.965 6.669 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.757 4.328 4.591 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.344 1.659 5.917 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.580 2.665 5.187 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.487 3.367 2.419 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.967 -0.342 4.313 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.113 1.639 0.565 1.00 10.00 H new ATOM 422 N GLU A 31 -11.350 5.109 6.525 1.00 10.00 N ATOM 423 CA GLU A 31 -11.890 5.956 7.586 1.00 10.00 C ATOM 424 C GLU A 31 -13.360 5.613 7.875 1.00 10.00 C ATOM 425 O GLU A 31 -14.269 6.347 7.486 1.00 10.00 O ATOM 426 CB GLU A 31 -11.703 7.435 7.204 1.00 10.00 C ATOM 427 CG GLU A 31 -10.261 7.934 7.433 1.00 10.00 C ATOM 428 CD GLU A 31 -10.103 8.759 8.708 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.651 8.327 9.745 1.00 10.00 O ATOM 430 OE2 GLU A 31 -9.449 9.819 8.612 1.00 10.00 O ATOM 0 H GLU A 31 -11.935 5.065 5.691 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.343 5.770 8.510 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.967 7.571 6.155 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.391 8.046 7.788 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.590 7.076 7.478 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.952 8.536 6.578 1.00 10.00 H new ATOM 437 N GLY A 32 -13.614 4.472 8.523 1.00 10.00 N ATOM 438 CA GLY A 32 -14.955 3.994 8.860 1.00 10.00 C ATOM 439 C GLY A 32 -15.698 3.459 7.633 1.00 10.00 C ATOM 440 O GLY A 32 -16.036 2.280 7.560 1.00 10.00 O ATOM 0 H GLY A 32 -12.875 3.842 8.834 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.881 3.207 9.611 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.529 4.807 9.305 1.00 10.00 H new ATOM 444 N THR A 33 -15.939 4.332 6.652 1.00 10.00 N ATOM 445 CA THR A 33 -16.483 3.980 5.344 1.00 10.00 C ATOM 446 C THR A 33 -15.334 3.714 4.363 1.00 10.00 C ATOM 447 O THR A 33 -14.678 4.663 3.931 1.00 10.00 O ATOM 448 CB THR A 33 -17.380 5.111 4.820 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.471 5.272 5.698 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.961 4.785 3.439 1.00 10.00 C ATOM 0 H THR A 33 -15.755 5.330 6.751 1.00 10.00 H new ATOM 0 HA THR A 33 -17.086 3.077 5.439 1.00 10.00 H new ATOM 0 HB THR A 33 -16.768 6.010 4.752 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.049 5.993 5.373 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.589 5.610 3.105 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.148 4.637 2.728 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.559 3.876 3.501 1.00 10.00 H new ATOM 458 N PRO A 34 -15.060 2.456 3.988 1.00 10.00 N ATOM 459 CA PRO A 34 -14.061 2.154 2.974 1.00 10.00 C ATOM 460 C PRO A 34 -14.576 2.512 1.573 1.00 10.00 C ATOM 461 O PRO A 34 -15.781 2.616 1.350 1.00 10.00 O ATOM 462 CB PRO A 34 -13.819 0.653 3.108 1.00 10.00 C ATOM 463 CG PRO A 34 -15.199 0.140 3.518 1.00 10.00 C ATOM 464 CD PRO A 34 -15.698 1.234 4.456 1.00 10.00 C ATOM 0 HA PRO A 34 -13.145 2.729 3.110 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.481 0.210 2.171 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.061 0.428 3.859 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.856 0.014 2.658 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.140 -0.826 4.018 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.784 1.318 4.421 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.428 1.020 5.490 1.00 10.00 H new ATOM 472 N ALA A 35 -13.657 2.687 0.620 1.00 10.00 N ATOM 473 CA ALA A 35 -13.960 3.045 -0.764 1.00 10.00 C ATOM 474 C ALA A 35 -12.728 2.812 -1.650 1.00 10.00 C ATOM 475 O ALA A 35 -11.647 2.511 -1.142 1.00 10.00 O ATOM 476 CB ALA A 35 -14.415 4.509 -0.825 1.00 10.00 C ATOM 0 H ALA A 35 -12.658 2.581 0.796 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.767 2.414 -1.138 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.641 4.777 -1.857 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.307 4.639 -0.213 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.620 5.153 -0.449 1.00 10.00 H new ATOM 482 N LYS A 36 -12.876 2.965 -2.971 1.00 10.00 N ATOM 483 CA LYS A 36 -11.741 2.918 -3.893 1.00 10.00 C ATOM 484 C LYS A 36 -10.904 4.199 -3.823 1.00 10.00 C ATOM 485 O LYS A 36 -11.369 5.280 -4.176 1.00 10.00 O ATOM 486 CB LYS A 36 -12.124 2.571 -5.341 1.00 10.00 C ATOM 487 CG LYS A 36 -13.467 3.138 -5.817 1.00 10.00 C ATOM 488 CD LYS A 36 -14.546 2.069 -5.598 1.00 10.00 C ATOM 489 CE LYS A 36 -15.949 2.472 -6.059 1.00 10.00 C ATOM 490 NZ LYS A 36 -16.888 1.369 -5.761 1.00 10.00 N ATOM 0 H LYS A 36 -13.776 3.123 -3.425 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.123 2.088 -3.550 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.339 2.935 -6.004 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.150 1.486 -5.443 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.713 4.045 -5.265 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.412 3.411 -6.871 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -14.252 1.162 -6.126 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.584 1.823 -4.537 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -16.265 3.383 -5.551 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.947 2.687 -7.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -17.817 1.583 -6.176 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -16.523 0.483 -6.166 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -16.985 1.264 -4.731 1.00 10.00 H new ATOM 504 N ILE A 37 -9.653 4.049 -3.388 1.00 10.00 N ATOM 505 CA ILE A 37 -8.626 5.080 -3.427 1.00 10.00 C ATOM 506 C ILE A 37 -7.851 4.902 -4.740 1.00 10.00 C ATOM 507 O ILE A 37 -7.448 3.784 -5.054 1.00 10.00 O ATOM 508 CB ILE A 37 -7.710 4.916 -2.197 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.532 4.968 -0.892 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.623 6.002 -2.196 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.716 4.600 0.351 1.00 10.00 C ATOM 0 H ILE A 37 -9.319 3.174 -2.985 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.050 6.084 -3.393 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.227 3.940 -2.253 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.940 5.971 -0.767 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.379 4.288 -0.977 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.983 5.875 -1.323 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.022 5.916 -3.102 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.091 6.986 -2.163 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.353 4.656 1.234 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.330 3.586 0.246 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.884 5.296 0.459 1.00 10.00 H new ATOM 523 N ALA A 38 -7.647 5.966 -5.522 1.00 10.00 N ATOM 524 CA ALA A 38 -6.865 5.866 -6.752 1.00 10.00 C ATOM 525 C ALA A 38 -5.369 5.704 -6.453 1.00 10.00 C ATOM 526 O ALA A 38 -4.742 6.592 -5.877 1.00 10.00 O ATOM 527 CB ALA A 38 -7.117 7.074 -7.649 1.00 10.00 C ATOM 0 H ALA A 38 -8.010 6.899 -5.325 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.190 4.972 -7.284 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.525 6.981 -8.560 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.175 7.121 -7.907 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.831 7.984 -7.122 1.00 10.00 H new ATOM 533 N ILE A 39 -4.823 4.541 -6.808 1.00 10.00 N ATOM 534 CA ILE A 39 -3.431 4.186 -6.597 1.00 10.00 C ATOM 535 C ILE A 39 -2.644 4.150 -7.907 1.00 10.00 C ATOM 536 O ILE A 39 -2.806 3.242 -8.720 1.00 10.00 O ATOM 537 CB ILE A 39 -3.353 2.837 -5.888 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.112 2.865 -4.558 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.880 2.457 -5.691 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.590 3.868 -3.524 1.00 10.00 C ATOM 0 H ILE A 39 -5.358 3.802 -7.264 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.975 4.955 -5.973 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.833 2.078 -6.505 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.159 3.090 -4.761 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.080 1.867 -4.120 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.817 1.494 -5.185 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.389 2.389 -6.662 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.386 3.217 -5.086 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.196 3.807 -2.620 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.553 3.635 -3.282 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.649 4.876 -3.933 1.00 10.00 H new ATOM 552 N ASP A 40 -1.740 5.117 -8.042 1.00 10.00 N ATOM 553 CA ASP A 40 -0.907 5.332 -9.212 1.00 10.00 C ATOM 554 C ASP A 40 0.514 5.733 -8.781 1.00 10.00 C ATOM 555 O ASP A 40 0.749 6.064 -7.610 1.00 10.00 O ATOM 556 CB ASP A 40 -1.531 6.474 -10.039 1.00 10.00 C ATOM 557 CG ASP A 40 -3.017 6.313 -10.331 1.00 10.00 C ATOM 558 OD1 ASP A 40 -3.813 6.632 -9.421 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.328 5.934 -11.479 1.00 10.00 O ATOM 0 H ASP A 40 -1.564 5.799 -7.304 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.849 4.417 -9.801 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.379 7.413 -9.507 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -0.996 6.553 -10.985 1.00 10.00 H new ATOM 564 N LYS A 41 1.434 5.792 -9.750 1.00 10.00 N ATOM 565 CA LYS A 41 2.785 6.362 -9.703 1.00 10.00 C ATOM 566 C LYS A 41 2.807 7.878 -9.412 1.00 10.00 C ATOM 567 O LYS A 41 3.429 8.687 -10.104 1.00 10.00 O ATOM 568 CB LYS A 41 3.513 5.966 -10.995 1.00 10.00 C ATOM 569 CG LYS A 41 5.047 5.832 -10.942 1.00 10.00 C ATOM 570 CD LYS A 41 5.831 7.145 -11.074 1.00 10.00 C ATOM 571 CE LYS A 41 6.189 7.765 -9.716 1.00 10.00 C ATOM 572 NZ LYS A 41 5.997 9.227 -9.756 1.00 10.00 N ATOM 0 H LYS A 41 1.233 5.406 -10.673 1.00 10.00 H new ATOM 0 HA LYS A 41 3.322 5.945 -8.851 1.00 10.00 H new ATOM 0 HB2 LYS A 41 3.105 5.013 -11.331 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.267 6.705 -11.758 1.00 10.00 H new ATOM 0 HG2 LYS A 41 5.320 5.359 -9.999 1.00 10.00 H new ATOM 0 HG3 LYS A 41 5.363 5.159 -11.739 1.00 10.00 H new ATOM 0 HD2 LYS A 41 6.746 6.961 -11.637 1.00 10.00 H new ATOM 0 HD3 LYS A 41 5.241 7.858 -11.649 1.00 10.00 H new ATOM 0 HE2 LYS A 41 5.566 7.331 -8.934 1.00 10.00 H new ATOM 0 HE3 LYS A 41 7.224 7.534 -9.464 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 6.369 9.650 -8.882 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 6.504 9.621 -10.574 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 4.983 9.442 -9.840 1.00 10.00 H new ATOM 586 N LYS A 42 2.181 8.254 -8.303 1.00 10.00 N ATOM 587 CA LYS A 42 2.019 9.594 -7.780 1.00 10.00 C ATOM 588 C LYS A 42 1.755 9.415 -6.277 1.00 10.00 C ATOM 589 O LYS A 42 2.707 9.306 -5.504 1.00 10.00 O ATOM 590 CB LYS A 42 0.880 10.278 -8.566 1.00 10.00 C ATOM 591 CG LYS A 42 0.688 11.770 -8.262 1.00 10.00 C ATOM 592 CD LYS A 42 1.631 12.615 -9.135 1.00 10.00 C ATOM 593 CE LYS A 42 1.446 14.127 -8.943 1.00 10.00 C ATOM 594 NZ LYS A 42 0.116 14.594 -9.399 1.00 10.00 N ATOM 0 H LYS A 42 1.737 7.563 -7.698 1.00 10.00 H new ATOM 0 HA LYS A 42 2.886 10.245 -7.897 1.00 10.00 H new ATOM 0 HB2 LYS A 42 1.074 10.162 -9.632 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.053 9.756 -8.353 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.347 12.057 -8.449 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.887 11.962 -7.208 1.00 10.00 H new ATOM 0 HD2 LYS A 42 2.663 12.350 -8.904 1.00 10.00 H new ATOM 0 HD3 LYS A 42 1.465 12.366 -10.183 1.00 10.00 H new ATOM 0 HE2 LYS A 42 1.574 14.375 -7.889 1.00 10.00 H new ATOM 0 HE3 LYS A 42 2.223 14.658 -9.492 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 0.069 15.631 -9.329 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -0.033 14.307 -10.388 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -0.624 14.173 -8.801 1.00 10.00 H new ATOM 608 N SER A 43 0.491 9.256 -5.873 1.00 10.00 N ATOM 609 CA SER A 43 0.064 8.973 -4.507 1.00 10.00 C ATOM 610 C SER A 43 0.889 7.856 -3.862 1.00 10.00 C ATOM 611 O SER A 43 1.415 8.043 -2.760 1.00 10.00 O ATOM 612 CB SER A 43 -1.429 8.626 -4.539 1.00 10.00 C ATOM 613 OG SER A 43 -2.113 9.652 -5.236 1.00 10.00 O ATOM 0 H SER A 43 -0.294 9.325 -6.521 1.00 10.00 H new ATOM 0 HA SER A 43 0.229 9.854 -3.887 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.584 7.665 -5.030 1.00 10.00 H new ATOM 0 HB3 SER A 43 -1.818 8.532 -3.525 1.00 10.00 H new ATOM 0 HG SER A 43 -3.070 9.444 -5.267 1.00 10.00 H new ATOM 619 N ALA A 44 1.064 6.736 -4.582 1.00 10.00 N ATOM 620 CA ALA A 44 1.775 5.561 -4.069 1.00 10.00 C ATOM 621 C ALA A 44 3.254 5.819 -3.759 1.00 10.00 C ATOM 622 O ALA A 44 3.911 4.982 -3.146 1.00 10.00 O ATOM 623 CB ALA A 44 1.660 4.414 -5.071 1.00 10.00 C ATOM 0 H ALA A 44 0.716 6.623 -5.534 1.00 10.00 H new ATOM 0 HA ALA A 44 1.299 5.303 -3.123 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.189 3.542 -4.688 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.609 4.165 -5.220 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.099 4.716 -6.022 1.00 10.00 H new ATOM 629 N HIS A 45 3.790 6.960 -4.211 1.00 10.00 N ATOM 630 CA HIS A 45 5.167 7.372 -3.973 1.00 10.00 C ATOM 631 C HIS A 45 5.226 8.753 -3.300 1.00 10.00 C ATOM 632 O HIS A 45 6.318 9.302 -3.128 1.00 10.00 O ATOM 633 CB HIS A 45 5.932 7.362 -5.306 1.00 10.00 C ATOM 634 CG HIS A 45 5.748 6.087 -6.091 1.00 10.00 C ATOM 635 ND1 HIS A 45 4.596 5.750 -6.747 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.593 5.009 -6.166 1.00 10.00 C ATOM 637 CE1 HIS A 45 4.746 4.505 -7.216 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.946 3.997 -6.892 1.00 10.00 N ATOM 0 H HIS A 45 3.261 7.633 -4.765 1.00 10.00 H new ATOM 0 HA HIS A 45 5.640 6.668 -3.288 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.601 8.205 -5.913 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.994 7.509 -5.108 1.00 10.00 H new ATOM 0 HD1 HIS A 45 3.772 6.340 -6.859 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.584 4.949 -5.740 1.00 10.00 H new ATOM 0 HE1 HIS A 45 3.996 3.975 -7.784 1.00 10.00 H new ATOM 646 N LYS A 46 4.081 9.277 -2.851 1.00 10.00 N ATOM 647 CA LYS A 46 3.975 10.517 -2.095 1.00 10.00 C ATOM 648 C LYS A 46 3.730 10.187 -0.620 1.00 10.00 C ATOM 649 O LYS A 46 4.547 10.528 0.237 1.00 10.00 O ATOM 650 CB LYS A 46 2.844 11.378 -2.692 1.00 10.00 C ATOM 651 CG LYS A 46 3.247 12.845 -2.880 1.00 10.00 C ATOM 652 CD LYS A 46 3.321 13.614 -1.554 1.00 10.00 C ATOM 653 CE LYS A 46 3.762 15.057 -1.834 1.00 10.00 C ATOM 654 NZ LYS A 46 3.672 15.907 -0.626 1.00 10.00 N ATOM 0 H LYS A 46 3.178 8.832 -3.012 1.00 10.00 H new ATOM 0 HA LYS A 46 4.900 11.090 -2.159 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.547 10.962 -3.655 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.972 11.327 -2.040 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.217 12.890 -3.376 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.529 13.333 -3.539 1.00 10.00 H new ATOM 0 HD2 LYS A 46 2.349 13.607 -1.061 1.00 10.00 H new ATOM 0 HD3 LYS A 46 4.025 13.130 -0.878 1.00 10.00 H new ATOM 0 HE2 LYS A 46 4.788 15.058 -2.203 1.00 10.00 H new ATOM 0 HE3 LYS A 46 3.140 15.480 -2.623 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 3.979 16.873 -0.858 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 2.689 15.927 -0.288 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 4.286 15.518 0.118 1.00 10.00 H new ATOM 668 N ASP A 47 2.609 9.512 -0.352 1.00 10.00 N ATOM 669 CA ASP A 47 2.107 9.312 1.001 1.00 10.00 C ATOM 670 C ASP A 47 1.312 8.005 1.155 1.00 10.00 C ATOM 671 O ASP A 47 1.615 7.202 2.037 1.00 10.00 O ATOM 672 CB ASP A 47 1.304 10.554 1.402 1.00 10.00 C ATOM 673 CG ASP A 47 1.094 10.566 2.901 1.00 10.00 C ATOM 674 OD1 ASP A 47 0.114 9.934 3.340 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.976 11.138 3.579 1.00 10.00 O ATOM 0 H ASP A 47 2.025 9.089 -1.074 1.00 10.00 H new ATOM 0 HA ASP A 47 2.947 9.194 1.685 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.832 11.456 1.092 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.341 10.557 0.891 1.00 10.00 H new ATOM 680 N ALA A 48 0.338 7.754 0.274 1.00 10.00 N ATOM 681 CA ALA A 48 -0.409 6.497 0.258 1.00 10.00 C ATOM 682 C ALA A 48 0.539 5.284 0.295 1.00 10.00 C ATOM 683 O ALA A 48 1.487 5.208 -0.489 1.00 10.00 O ATOM 684 CB ALA A 48 -1.327 6.454 -0.966 1.00 10.00 C ATOM 0 H ALA A 48 0.048 8.416 -0.445 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.027 6.446 1.155 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.881 5.515 -0.973 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.027 7.288 -0.925 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.727 6.528 -1.873 1.00 10.00 H new ATOM 690 N CYS A 49 0.319 4.378 1.255 1.00 10.00 N ATOM 691 CA CYS A 49 1.166 3.219 1.563 1.00 10.00 C ATOM 692 C CYS A 49 2.517 3.632 2.158 1.00 10.00 C ATOM 693 O CYS A 49 2.815 3.289 3.306 1.00 10.00 O ATOM 694 CB CYS A 49 1.295 2.270 0.388 1.00 10.00 C ATOM 695 SG CYS A 49 -0.362 1.921 -0.295 1.00 10.00 S ATOM 0 H CYS A 49 -0.494 4.436 1.868 1.00 10.00 H new ATOM 0 HA CYS A 49 0.657 2.653 2.343 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.932 2.709 -0.380 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.772 1.343 0.706 1.00 10.00 H new ATOM 700 N LYS A 50 3.320 4.403 1.409 1.00 10.00 N ATOM 701 CA LYS A 50 4.588 4.932 1.879 1.00 10.00 C ATOM 702 C LYS A 50 4.545 5.437 3.322 1.00 10.00 C ATOM 703 O LYS A 50 5.292 4.935 4.144 1.00 10.00 O ATOM 704 CB LYS A 50 5.092 6.033 0.947 1.00 10.00 C ATOM 705 CG LYS A 50 5.756 5.465 -0.314 1.00 10.00 C ATOM 706 CD LYS A 50 7.151 6.065 -0.556 1.00 10.00 C ATOM 707 CE LYS A 50 7.077 7.598 -0.632 1.00 10.00 C ATOM 708 NZ LYS A 50 8.071 8.164 -1.570 1.00 10.00 N ATOM 0 H LYS A 50 3.096 4.674 0.451 1.00 10.00 H new ATOM 0 HA LYS A 50 5.285 4.094 1.867 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.258 6.673 0.660 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.806 6.660 1.481 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.839 4.382 -0.223 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.122 5.664 -1.178 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.825 5.768 0.248 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.567 5.670 -1.483 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.076 7.896 -0.944 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.239 8.017 0.361 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.832 8.625 -1.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.472 7.402 -2.153 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.609 8.863 -2.185 1.00 10.00 H new ATOM 722 N THR A 51 3.729 6.433 3.660 1.00 10.00 N ATOM 723 CA THR A 51 3.779 7.083 4.975 1.00 10.00 C ATOM 724 C THR A 51 3.445 6.160 6.152 1.00 10.00 C ATOM 725 O THR A 51 3.989 6.348 7.237 1.00 10.00 O ATOM 726 CB THR A 51 2.998 8.400 4.959 1.00 10.00 C ATOM 727 OG1 THR A 51 3.746 9.290 4.155 1.00 10.00 O ATOM 728 CG2 THR A 51 2.877 9.054 6.336 1.00 10.00 C ATOM 0 H THR A 51 3.017 6.813 3.036 1.00 10.00 H new ATOM 0 HA THR A 51 4.822 7.336 5.164 1.00 10.00 H new ATOM 0 HB THR A 51 1.990 8.193 4.600 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.349 10.185 4.201 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.312 9.982 6.250 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.360 8.377 7.016 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.872 9.270 6.725 1.00 10.00 H new ATOM 736 N CYS A 52 2.641 5.114 5.945 1.00 10.00 N ATOM 737 CA CYS A 52 2.562 4.041 6.938 1.00 10.00 C ATOM 738 C CYS A 52 3.896 3.294 6.979 1.00 10.00 C ATOM 739 O CYS A 52 4.567 3.256 8.010 1.00 10.00 O ATOM 740 CB CYS A 52 1.416 3.119 6.632 1.00 10.00 C ATOM 741 SG CYS A 52 1.325 1.832 7.913 1.00 10.00 S ATOM 0 H CYS A 52 2.051 4.988 5.123 1.00 10.00 H new ATOM 0 HA CYS A 52 2.374 4.467 7.924 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.482 3.680 6.596 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.552 2.664 5.651 1.00 10.00 H new ATOM 746 N HIS A 53 4.311 2.755 5.830 1.00 10.00 N ATOM 747 CA HIS A 53 5.599 2.094 5.658 1.00 10.00 C ATOM 748 C HIS A 53 6.774 2.844 6.333 1.00 10.00 C ATOM 749 O HIS A 53 7.587 2.219 7.001 1.00 10.00 O ATOM 750 CB HIS A 53 5.802 1.829 4.159 1.00 10.00 C ATOM 751 CG HIS A 53 5.097 0.608 3.631 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.405 -0.054 2.470 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.015 -0.022 4.176 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.537 -1.078 2.341 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.664 -1.108 3.359 1.00 10.00 N ATOM 0 H HIS A 53 3.748 2.768 4.980 1.00 10.00 H new ATOM 0 HA HIS A 53 5.590 1.140 6.185 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.458 2.700 3.601 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.870 1.727 3.964 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.155 0.185 1.821 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.512 0.268 5.087 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.544 -1.783 1.523 1.00 10.00 H new ATOM 763 N LYS A 54 6.860 4.173 6.193 1.00 10.00 N ATOM 764 CA LYS A 54 7.827 5.043 6.866 1.00 10.00 C ATOM 765 C LYS A 54 7.898 4.792 8.375 1.00 10.00 C ATOM 766 O LYS A 54 8.985 4.716 8.941 1.00 10.00 O ATOM 767 CB LYS A 54 7.499 6.504 6.602 1.00 10.00 C ATOM 768 CG LYS A 54 7.660 6.850 5.124 1.00 10.00 C ATOM 769 CD LYS A 54 8.005 8.333 5.016 1.00 10.00 C ATOM 770 CE LYS A 54 7.601 8.960 3.669 1.00 10.00 C ATOM 771 NZ LYS A 54 6.288 9.657 3.722 1.00 10.00 N ATOM 0 H LYS A 54 6.230 4.691 5.581 1.00 10.00 H new ATOM 0 HA LYS A 54 8.806 4.804 6.450 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.477 6.712 6.917 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.152 7.139 7.200 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.446 6.243 4.675 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.740 6.633 4.580 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.509 8.873 5.823 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.078 8.460 5.160 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.370 9.668 3.359 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.561 8.180 2.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 6.022 9.970 2.766 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 5.564 9.006 4.087 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 6.359 10.483 4.350 1.00 10.00 H new ATOM 785 N SER A 55 6.736 4.671 9.026 1.00 10.00 N ATOM 786 CA SER A 55 6.662 4.374 10.451 1.00 10.00 C ATOM 787 C SER A 55 7.302 3.010 10.740 1.00 10.00 C ATOM 788 O SER A 55 8.163 2.888 11.609 1.00 10.00 O ATOM 789 CB SER A 55 5.203 4.442 10.916 1.00 10.00 C ATOM 790 OG SER A 55 5.131 4.315 12.321 1.00 10.00 O ATOM 0 H SER A 55 5.826 4.777 8.577 1.00 10.00 H new ATOM 0 HA SER A 55 7.224 5.118 11.015 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.759 5.388 10.606 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.626 3.648 10.442 1.00 10.00 H new ATOM 0 HG SER A 55 4.195 4.362 12.606 1.00 10.00 H new ATOM 796 N ASN A 56 6.945 1.994 9.945 1.00 10.00 N ATOM 797 CA ASN A 56 7.611 0.689 9.988 1.00 10.00 C ATOM 798 C ASN A 56 8.828 0.642 9.051 1.00 10.00 C ATOM 799 O ASN A 56 8.869 -0.121 8.087 1.00 10.00 O ATOM 800 CB ASN A 56 6.619 -0.468 9.780 1.00 10.00 C ATOM 801 CG ASN A 56 5.734 -0.335 8.548 1.00 10.00 C ATOM 802 OD1 ASN A 56 5.955 -0.946 7.511 1.00 10.00 O ATOM 803 ND2 ASN A 56 4.671 0.447 8.658 1.00 10.00 N ATOM 0 H ASN A 56 6.192 2.053 9.259 1.00 10.00 H new ATOM 0 HA ASN A 56 8.010 0.549 10.993 1.00 10.00 H new ATOM 0 HB2 ASN A 56 7.179 -1.400 9.709 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.982 -0.545 10.661 1.00 10.00 H new ATOM 0 HD21 ASN A 56 4.026 0.545 7.874 1.00 10.00 H new ATOM 0 HD22 ASN A 56 4.497 0.952 9.527 1.00 10.00 H new ATOM 810 N ASN A 57 9.861 1.424 9.382 1.00 10.00 N ATOM 811 CA ASN A 57 11.189 1.429 8.756 1.00 10.00 C ATOM 812 C ASN A 57 11.263 2.227 7.445 1.00 10.00 C ATOM 813 O ASN A 57 12.232 2.944 7.215 1.00 10.00 O ATOM 814 CB ASN A 57 11.748 0.012 8.541 1.00 10.00 C ATOM 815 CG ASN A 57 11.580 -0.914 9.741 1.00 10.00 C ATOM 816 OD1 ASN A 57 12.410 -0.944 10.640 1.00 10.00 O ATOM 817 ND2 ASN A 57 10.509 -1.697 9.757 1.00 10.00 N ATOM 0 H ASN A 57 9.790 2.108 10.135 1.00 10.00 H new ATOM 0 HA ASN A 57 11.819 1.947 9.480 1.00 10.00 H new ATOM 0 HB2 ASN A 57 11.253 -0.435 7.679 1.00 10.00 H new ATOM 0 HB3 ASN A 57 12.808 0.085 8.298 1.00 10.00 H new ATOM 0 HD21 ASN A 57 10.362 -2.344 10.532 1.00 10.00 H new ATOM 0 HD22 ASN A 57 9.833 -1.652 8.995 1.00 10.00 H new ATOM 824 N GLY A 58 10.270 2.087 6.561 1.00 10.00 N ATOM 825 CA GLY A 58 10.211 2.834 5.307 1.00 10.00 C ATOM 826 C GLY A 58 11.157 2.316 4.221 1.00 10.00 C ATOM 827 O GLY A 58 12.104 3.018 3.865 1.00 10.00 O ATOM 0 H GLY A 58 9.485 1.451 6.698 1.00 10.00 H new ATOM 0 HA2 GLY A 58 9.190 2.804 4.927 1.00 10.00 H new ATOM 0 HA3 GLY A 58 10.446 3.879 5.509 1.00 10.00 H new ATOM 831 N PRO A 59 10.884 1.145 3.618 1.00 10.00 N ATOM 832 CA PRO A 59 11.694 0.572 2.543 1.00 10.00 C ATOM 833 C PRO A 59 11.537 1.327 1.203 1.00 10.00 C ATOM 834 O PRO A 59 11.240 0.743 0.160 1.00 10.00 O ATOM 835 CB PRO A 59 11.239 -0.891 2.472 1.00 10.00 C ATOM 836 CG PRO A 59 9.770 -0.817 2.884 1.00 10.00 C ATOM 837 CD PRO A 59 9.815 0.231 3.994 1.00 10.00 C ATOM 0 HA PRO A 59 12.762 0.655 2.743 1.00 10.00 H new ATOM 0 HB2 PRO A 59 11.356 -1.301 1.469 1.00 10.00 H new ATOM 0 HB3 PRO A 59 11.815 -1.526 3.145 1.00 10.00 H new ATOM 0 HG2 PRO A 59 9.128 -0.512 2.058 1.00 10.00 H new ATOM 0 HG3 PRO A 59 9.396 -1.776 3.241 1.00 10.00 H new ATOM 0 HD2 PRO A 59 8.863 0.754 4.080 1.00 10.00 H new ATOM 0 HD3 PRO A 59 10.014 -0.230 4.962 1.00 10.00 H new ATOM 845 N THR A 60 11.800 2.637 1.198 1.00 10.00 N ATOM 846 CA THR A 60 11.698 3.497 0.015 1.00 10.00 C ATOM 847 C THR A 60 12.956 3.358 -0.854 1.00 10.00 C ATOM 848 O THR A 60 13.656 4.331 -1.114 1.00 10.00 O ATOM 849 CB THR A 60 11.418 4.953 0.439 1.00 10.00 C ATOM 850 OG1 THR A 60 10.298 4.986 1.304 1.00 10.00 O ATOM 851 CG2 THR A 60 11.052 5.863 -0.738 1.00 10.00 C ATOM 0 H THR A 60 12.096 3.140 2.034 1.00 10.00 H new ATOM 0 HA THR A 60 10.856 3.179 -0.599 1.00 10.00 H new ATOM 0 HB THR A 60 12.337 5.307 0.907 1.00 10.00 H new ATOM 0 HG1 THR A 60 10.121 5.911 1.575 1.00 10.00 H new ATOM 0 HG21 THR A 60 10.867 6.873 -0.373 1.00 10.00 H new ATOM 0 HG22 THR A 60 11.874 5.881 -1.454 1.00 10.00 H new ATOM 0 HG23 THR A 60 10.154 5.483 -1.226 1.00 10.00 H new ATOM 859 N LYS A 61 13.229 2.132 -1.314 1.00 10.00 N ATOM 860 CA LYS A 61 14.326 1.822 -2.239 1.00 10.00 C ATOM 861 C LYS A 61 13.864 0.923 -3.397 1.00 10.00 C ATOM 862 O LYS A 61 14.634 0.151 -3.970 1.00 10.00 O ATOM 863 CB LYS A 61 15.469 1.168 -1.463 1.00 10.00 C ATOM 864 CG LYS A 61 16.822 1.482 -2.124 1.00 10.00 C ATOM 865 CD LYS A 61 17.804 0.304 -2.081 1.00 10.00 C ATOM 866 CE LYS A 61 18.128 -0.143 -0.650 1.00 10.00 C ATOM 867 NZ LYS A 61 19.149 -1.214 -0.648 1.00 10.00 N ATOM 0 H LYS A 61 12.684 1.312 -1.049 1.00 10.00 H new ATOM 0 HA LYS A 61 14.675 2.753 -2.686 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.469 1.527 -0.434 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.319 0.089 -1.424 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.654 1.769 -3.162 1.00 10.00 H new ATOM 0 HG3 LYS A 61 17.272 2.340 -1.625 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.382 -0.536 -2.633 1.00 10.00 H new ATOM 0 HD3 LYS A 61 18.727 0.587 -2.587 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.487 0.708 -0.072 1.00 10.00 H new ATOM 0 HE3 LYS A 61 17.221 -0.499 -0.162 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.351 -1.499 0.332 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 18.794 -2.033 -1.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 20.021 -0.863 -1.093 1.00 10.00 H new ATOM 881 N CYS A 62 12.574 1.024 -3.709 1.00 10.00 N ATOM 882 CA CYS A 62 11.899 0.450 -4.875 1.00 10.00 C ATOM 883 C CYS A 62 11.723 -1.065 -4.745 1.00 10.00 C ATOM 884 O CYS A 62 10.599 -1.543 -4.584 1.00 10.00 O ATOM 885 CB CYS A 62 12.558 0.861 -6.175 1.00 10.00 C ATOM 886 SG CYS A 62 13.164 2.583 -6.170 1.00 10.00 S ATOM 0 H CYS A 62 11.928 1.544 -3.115 1.00 10.00 H new ATOM 0 HA CYS A 62 10.894 0.870 -4.904 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.393 0.191 -6.378 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.845 0.737 -6.990 1.00 10.00 H new ATOM 891 N GLY A 63 12.832 -1.810 -4.739 1.00 10.00 N ATOM 892 CA GLY A 63 12.862 -3.267 -4.597 1.00 10.00 C ATOM 893 C GLY A 63 12.190 -3.777 -3.314 1.00 10.00 C ATOM 894 O GLY A 63 11.774 -4.927 -3.230 1.00 10.00 O ATOM 0 H GLY A 63 13.762 -1.402 -4.836 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.369 -3.717 -5.458 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.899 -3.603 -4.612 1.00 10.00 H new ATOM 898 N GLY A 64 12.075 -2.913 -2.300 1.00 10.00 N ATOM 899 CA GLY A 64 11.362 -3.211 -1.062 1.00 10.00 C ATOM 900 C GLY A 64 9.830 -3.209 -1.197 1.00 10.00 C ATOM 901 O GLY A 64 9.145 -3.667 -0.288 1.00 10.00 O ATOM 0 H GLY A 64 12.481 -1.977 -2.320 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.682 -4.188 -0.699 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.649 -2.480 -0.306 1.00 10.00 H new ATOM 905 N CYS A 65 9.292 -2.702 -2.315 1.00 10.00 N ATOM 906 CA CYS A 65 7.880 -2.852 -2.690 1.00 10.00 C ATOM 907 C CYS A 65 7.757 -3.705 -3.959 1.00 10.00 C ATOM 908 O CYS A 65 7.001 -4.669 -3.996 1.00 10.00 O ATOM 909 CB CYS A 65 7.241 -1.505 -2.929 1.00 10.00 C ATOM 910 SG CYS A 65 6.631 -0.702 -1.411 1.00 10.00 S ATOM 0 H CYS A 65 9.834 -2.168 -2.994 1.00 10.00 H new ATOM 0 HA CYS A 65 7.364 -3.346 -1.867 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.967 -0.849 -3.410 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.410 -1.625 -3.624 1.00 10.00 H new ATOM 915 N HIS A 66 8.477 -3.327 -5.014 1.00 10.00 N ATOM 916 CA HIS A 66 8.420 -3.973 -6.314 1.00 10.00 C ATOM 917 C HIS A 66 9.249 -5.273 -6.355 1.00 10.00 C ATOM 918 O HIS A 66 10.416 -5.272 -5.968 1.00 10.00 O ATOM 919 CB HIS A 66 8.930 -2.964 -7.347 1.00 10.00 C ATOM 920 CG HIS A 66 8.032 -1.782 -7.576 1.00 10.00 C ATOM 921 ND1 HIS A 66 7.079 -1.728 -8.546 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.051 -0.558 -6.963 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.524 -0.511 -8.530 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.079 0.258 -7.580 1.00 10.00 N ATOM 0 H HIS A 66 9.130 -2.544 -4.983 1.00 10.00 H new ATOM 0 HA HIS A 66 7.393 -4.267 -6.533 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.907 -2.602 -7.028 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.075 -3.480 -8.296 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.830 -2.488 -9.179 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.698 -0.267 -6.148 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.734 -0.190 -9.193 1.00 10.00 H new ATOM 932 N ILE A 67 8.682 -6.360 -6.894 1.00 10.00 N ATOM 933 CA ILE A 67 9.445 -7.571 -7.244 1.00 10.00 C ATOM 934 C ILE A 67 10.459 -7.262 -8.370 1.00 10.00 C ATOM 935 O ILE A 67 10.518 -6.144 -8.880 1.00 10.00 O ATOM 936 CB ILE A 67 8.475 -8.730 -7.600 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.440 -8.877 -6.466 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.170 -10.087 -7.827 1.00 10.00 C ATOM 939 CD1 ILE A 67 6.459 -10.047 -6.591 1.00 10.00 C ATOM 0 H ILE A 67 7.685 -6.428 -7.100 1.00 10.00 H new ATOM 0 HA ILE A 67 10.027 -7.900 -6.383 1.00 10.00 H new ATOM 0 HB ILE A 67 8.006 -8.464 -8.547 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.977 -8.980 -5.523 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.865 -7.953 -6.406 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.423 -10.842 -8.071 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.879 -9.999 -8.650 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.700 -10.380 -6.921 1.00 10.00 H new ATOM 0 HD11 ILE A 67 5.782 -10.047 -5.737 1.00 10.00 H new ATOM 0 HD12 ILE A 67 5.883 -9.942 -7.511 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.013 -10.985 -6.615 1.00 10.00 H new ATOM 951 N LYS A 68 11.272 -8.248 -8.753 1.00 10.00 N ATOM 952 CA LYS A 68 11.952 -8.248 -10.045 1.00 10.00 C ATOM 953 C LYS A 68 10.997 -8.000 -11.228 1.00 10.00 C ATOM 954 O LYS A 68 11.520 -7.558 -12.275 1.00 10.00 O ATOM 955 CB LYS A 68 12.642 -9.601 -10.267 1.00 10.00 C ATOM 956 CG LYS A 68 13.721 -9.932 -9.229 1.00 10.00 C ATOM 957 CD LYS A 68 14.261 -11.360 -9.431 1.00 10.00 C ATOM 958 CE LYS A 68 14.812 -11.641 -10.839 1.00 10.00 C ATOM 959 NZ LYS A 68 15.838 -10.655 -11.237 1.00 10.00 N ATOM 960 OXT LYS A 68 9.794 -8.318 -11.087 1.00 10.00 O ATOM 0 H LYS A 68 11.476 -9.065 -8.177 1.00 10.00 H new ATOM 0 HA LYS A 68 12.673 -7.431 -10.014 1.00 10.00 H new ATOM 0 HB2 LYS A 68 11.888 -10.388 -10.254 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.093 -9.608 -11.259 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.539 -9.216 -9.308 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.307 -9.834 -8.225 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.051 -11.542 -8.703 1.00 10.00 H new ATOM 0 HD3 LYS A 68 13.462 -12.070 -9.219 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.241 -12.643 -10.868 1.00 10.00 H new ATOM 0 HE3 LYS A 68 13.994 -11.624 -11.559 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 16.220 -10.909 -12.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 15.410 -9.708 -11.284 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.607 -10.653 -10.537 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.589 -1.478 1.153 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.519 -0.398 -1.899 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.672 -2.288 1.882 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.465 -3.054 3.833 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.641 -0.100 0.694 1.00 10.00 C HETATM 980 NA HEC A 130 -11.236 -1.366 0.194 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.437 -0.903 -1.057 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.847 -0.978 -1.387 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.463 -1.452 -0.264 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.414 -1.734 0.689 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.957 -1.649 -0.081 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.578 -0.412 -2.597 1.00 10.00 C HETATM 987 CBA HEC A 130 -14.448 -1.412 -3.390 1.00 10.00 C HETATM 988 CGA HEC A 130 -15.559 -0.699 -4.188 1.00 10.00 C HETATM 989 O1A HEC A 130 -15.648 -0.856 -5.429 1.00 10.00 O HETATM 990 O2A HEC A 130 -16.294 0.132 -3.602 1.00 10.00 O HETATM 991 NB HEC A 130 -10.396 -2.450 2.577 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.696 -2.640 2.725 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.966 -3.350 3.956 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.744 -3.616 4.515 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.779 -3.022 3.613 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.330 -3.741 4.495 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.456 -4.416 5.781 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.788 -5.905 5.628 1.00 10.00 C HETATM 999 NC HEC A 130 -7.921 -1.591 2.035 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.637 -2.321 3.104 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.238 -2.216 3.436 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.748 -1.246 2.612 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.821 -0.931 1.705 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.489 -2.967 4.523 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.434 -0.504 2.754 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.223 -1.317 2.305 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.779 -0.401 -0.275 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.545 0.050 -0.247 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.193 0.680 -1.488 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.277 0.516 -2.302 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.293 -0.096 -1.468 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.807 1.177 -1.856 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.264 0.556 -3.818 1.00 10.00 C HETATM 1014 CBD HEC A 130 -8.060 -0.867 -4.371 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.140 -0.989 -5.899 1.00 10.00 C HETATM 1016 O1D HEC A 130 -9.142 -0.491 -6.457 1.00 10.00 O HETATM 1017 O2D HEC A 130 -7.215 -1.613 -6.470 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.490 1.934 -1.139 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -5.105 0.344 -1.838 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.829 1.610 -2.856 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.929 -2.738 5.493 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.557 -4.039 4.338 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.442 -2.664 4.519 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.930 -2.845 4.651 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.831 -4.393 3.779 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -13.210 -4.266 5.442 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.468 -0.694 -0.203 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -15.325 -2.355 -0.826 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -15.153 -2.040 0.917 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.086 -1.231 -4.043 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.811 -1.523 -3.930 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -3.151 -2.224 2.905 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.334 -1.585 1.254 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.318 -0.724 2.435 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.846 -6.020 5.394 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -10.190 -6.330 4.822 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.563 -6.425 6.559 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.817 -1.980 -4.074 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.897 -2.128 -2.702 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.202 0.970 -4.189 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.466 1.211 -4.168 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.214 0.407 -2.262 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.840 0.015 -3.276 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.718 0.477 0.639 1.00 10.00 H new HETATM 0 HHC HEC A 130 -8.067 -3.691 4.623 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.709 -2.457 2.174 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.779 -0.234 -2.945 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.708 -0.998 -7.040 1.00 10.00 H new HETATM 0 H2A HEC A 130 -17.198 -0.235 -3.515 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.242 -2.482 3.594 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.591 -4.590 4.625 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.493 -3.652 0.513 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.209 -0.079 2.530 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.710 -1.501 6.746 1.00 10.00 C HETATM 1055 NA HEC A 153 3.334 -3.802 2.740 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.251 -4.579 3.333 1.00 10.00 C HETATM 1057 C2A HEC A 153 4.782 -5.534 2.385 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.119 -5.304 1.213 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.225 -4.202 1.473 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.298 -6.039 -0.103 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.683 -6.720 2.677 1.00 10.00 C HETATM 1062 CBA HEC A 153 4.872 -7.948 3.131 1.00 10.00 C HETATM 1063 CGA HEC A 153 5.722 -9.204 3.397 1.00 10.00 C HETATM 1064 O1A HEC A 153 6.632 -9.471 2.580 1.00 10.00 O HETATM 1065 O2A HEC A 153 5.448 -9.879 4.416 1.00 10.00 O HETATM 1066 NB HEC A 153 1.529 -1.960 1.891 1.00 10.00 N HETATM 1067 C1B HEC A 153 1.742 -2.577 0.730 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.129 -1.836 -0.353 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.448 -0.803 0.233 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.742 -0.918 1.648 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.378 -2.038 -1.837 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.613 0.111 -0.395 1.00 10.00 C HETATM 1073 CBB HEC A 153 -1.032 -0.179 -1.843 1.00 10.00 C HETATM 1074 NC HEC A 153 1.146 -1.101 4.463 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.391 -0.205 3.841 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.270 0.660 4.796 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.152 0.235 6.028 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.050 -0.873 5.769 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.228 1.809 4.501 1.00 10.00 C HETATM 1080 CAC HEC A 153 -0.118 0.864 7.393 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.395 1.694 7.569 1.00 10.00 C HETATM 1082 ND HEC A 153 2.998 -2.934 5.312 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.627 -2.440 6.493 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.385 -3.060 7.555 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.208 -3.962 6.949 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.965 -3.831 5.530 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.289 -2.799 9.048 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.113 -4.950 7.663 1.00 10.00 C HETATM 1089 CBD HEC A 153 6.529 -4.402 7.908 1.00 10.00 C HETATM 1090 CGD HEC A 153 7.386 -5.308 8.808 1.00 10.00 C HETATM 1091 O1D HEC A 153 8.479 -5.714 8.354 1.00 10.00 O HETATM 1092 O2D HEC A 153 6.934 -5.570 9.947 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.518 -1.753 9.250 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.279 -3.023 9.392 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.001 -3.434 9.575 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.722 2.558 3.892 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.096 1.430 3.962 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.552 2.262 5.438 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.433 -1.870 -2.055 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.107 -3.056 -2.116 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 0.773 -1.333 -2.407 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.328 -5.930 -0.444 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.073 -7.096 0.037 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 3.622 -5.620 -0.849 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 7.032 -4.274 6.950 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 6.455 -3.415 8.364 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.384 2.531 6.871 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.266 1.069 7.371 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.445 2.073 8.590 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 -0.163 -0.101 -2.496 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.445 -1.186 -1.908 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.786 0.543 -2.155 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 4.327 -7.693 4.040 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 4.129 -8.181 2.368 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 4.664 -5.220 8.619 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.180 -5.864 7.073 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.256 -6.971 1.784 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.401 -6.451 3.451 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.494 -1.240 7.782 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.402 0.746 2.164 1.00 10.00 H new HETATM 0 HHB HEC A 153 2.508 -4.095 -0.483 1.00 10.00 H new HETATM 0 HHA HEC A 153 5.404 -5.238 4.951 1.00 10.00 H new HETATM 0 H2D HEC A 153 7.434 -6.320 10.333 1.00 10.00 H new HETATM 0 H2A HEC A 153 5.878 -10.757 4.352 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.560 2.160 -7.294 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.184 1.942 -9.654 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.766 3.010 -9.617 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.830 2.619 -4.930 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.369 1.079 -5.023 1.00 10.00 C HETATM 1130 NA HEC A 166 6.482 2.456 -9.205 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.411 2.319 -9.995 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.756 2.622 -11.365 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.091 2.886 -11.368 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.513 2.777 -9.990 1.00 10.00 C HETATM 1135 CMA HEC A 166 7.914 3.253 -12.590 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.852 2.593 -12.587 1.00 10.00 C HETATM 1137 CBA HEC A 166 4.567 1.163 -13.085 1.00 10.00 C HETATM 1138 CGA HEC A 166 5.168 0.778 -14.453 1.00 10.00 C HETATM 1139 O1A HEC A 166 6.172 1.403 -14.861 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.635 -0.179 -15.063 1.00 10.00 O HETATM 1141 NB HEC A 166 8.400 2.701 -7.273 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.136 2.981 -8.342 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.482 3.327 -7.958 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.512 3.248 -6.593 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.180 2.826 -6.204 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.613 3.715 -8.897 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.702 3.546 -5.688 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.079 5.031 -5.646 1.00 10.00 C HETATM 1149 NC HEC A 166 6.600 1.896 -5.396 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.629 2.142 -4.602 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.300 1.843 -3.231 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.066 1.257 -3.268 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.609 1.409 -4.637 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.181 2.055 -2.011 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.418 0.439 -2.157 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.717 1.270 -1.078 1.00 10.00 C HETATM 1157 ND HEC A 166 4.654 1.596 -7.345 1.00 10.00 N HETATM 1158 C1D HEC A 166 3.951 1.203 -6.289 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.574 0.977 -6.666 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.495 1.179 -8.016 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.833 1.588 -8.417 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.398 0.699 -5.743 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.187 1.048 -8.801 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.202 0.900 -10.339 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.142 2.229 -11.130 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.921 2.163 -12.355 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.391 3.292 -10.515 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.589 -0.212 -5.175 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.269 1.535 -5.056 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.492 0.574 -6.336 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.097 1.474 -2.118 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.430 3.112 -1.921 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.649 1.731 -1.117 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.808 2.896 -9.590 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.331 4.606 -9.458 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.513 3.921 -8.317 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 7.861 2.446 -13.320 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.521 4.169 -13.032 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 8.952 3.409 -12.296 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.107 0.365 -10.628 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.356 0.280 -10.637 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.440 1.932 -0.602 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 3.926 1.865 -1.534 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.286 0.605 -0.330 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.339 5.369 -6.649 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.234 5.611 -5.275 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.933 5.171 -4.983 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 4.940 0.461 -12.339 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 3.487 1.029 -13.137 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.658 0.183 -8.401 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.584 1.926 -8.569 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.909 3.084 -12.347 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.315 3.167 -13.390 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.673 0.695 -4.277 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.545 2.846 -4.139 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.513 3.232 -10.380 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.419 1.921 -10.430 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.945 3.094 -9.731 1.00 10.00 H new HETATM 0 H2A HEC A 166 4.588 0.028 -16.020 1.00 10.00 H new