USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=21 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 0:sc= 1.13 USER MOD Set 1.2: A 130 HEC O2D : rot 58:sc= 2.23 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 180:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 60 THR OG1 : rot -49:sc= 1.81 USER MOD Set 3.1: A 41 LYS NZ :NH3+ 151:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 166 HEC O2A : rot -155:sc= 0.954 USER MOD Set 4.1: A 23 LYS NZ :NH3+ -168:sc= 1.09 (180deg=0) USER MOD Set 4.2: A 153 HEC O2D : rot -139:sc= 1.07 USER MOD Single : A 1 ALA N :NH3+ -121:sc= 1.14 (180deg=-0.278) USER MOD Single : A 5 THR OG1 : rot -51:sc= 0.75 USER MOD Single : A 8 ASN : amide:sc= 1.87 K(o=1.9,f=-9.9!) USER MOD Single : A 12 ASN : amide:sc= 1.13 K(o=1.1,f=-5.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.692) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= 0.715 (180deg=0.225) USER MOD Single : A 43 SER OG : rot 93:sc= 1.25 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 176:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.9) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0607 F(o=-0.73,f=-0.061) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0766) USER MOD Single : A 130 HEC O2A : rot 178:sc= 0 USER MOD Single : A 153 HEC O2A : rot 165:sc= 0 USER MOD Single : A 166 HEC O2D : rot -91:sc= -0.383 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.187 -9.280 -1.561 1.00 10.00 N ATOM 2 CA ALA A 1 -10.293 -9.163 -2.737 1.00 10.00 C ATOM 3 C ALA A 1 -8.931 -9.852 -2.534 1.00 10.00 C ATOM 4 O ALA A 1 -8.472 -10.534 -3.441 1.00 10.00 O ATOM 5 CB ALA A 1 -10.135 -7.704 -3.175 1.00 10.00 C ATOM 0 H1 ALA A 1 -12.067 -9.759 -1.840 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.713 -9.832 -0.818 1.00 10.00 H new ATOM 0 H3 ALA A 1 -11.410 -8.331 -1.198 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.781 -9.704 -3.548 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -9.473 -7.653 -4.040 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -11.110 -7.296 -3.440 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -9.709 -7.123 -2.357 1.00 10.00 H new ATOM 13 N ASP A 2 -8.326 -9.711 -1.345 1.00 10.00 N ATOM 14 CA ASP A 2 -7.385 -10.688 -0.798 1.00 10.00 C ATOM 15 C ASP A 2 -6.112 -10.886 -1.646 1.00 10.00 C ATOM 16 O ASP A 2 -6.026 -11.797 -2.462 1.00 10.00 O ATOM 17 CB ASP A 2 -8.147 -11.994 -0.510 1.00 10.00 C ATOM 18 CG ASP A 2 -9.322 -11.801 0.436 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.294 -11.131 0.013 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.215 -12.303 1.572 1.00 10.00 O ATOM 0 H ASP A 2 -8.480 -8.908 -0.735 1.00 10.00 H new ATOM 0 HA ASP A 2 -6.987 -10.296 0.138 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.509 -12.412 -1.450 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.459 -12.723 -0.082 1.00 10.00 H new ATOM 25 N VAL A 3 -5.110 -10.030 -1.402 1.00 10.00 N ATOM 26 CA VAL A 3 -3.870 -9.929 -2.166 1.00 10.00 C ATOM 27 C VAL A 3 -4.173 -9.587 -3.632 1.00 10.00 C ATOM 28 O VAL A 3 -4.288 -10.455 -4.491 1.00 10.00 O ATOM 29 CB VAL A 3 -2.995 -11.176 -1.956 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.739 -11.139 -2.837 1.00 10.00 C ATOM 31 CG2 VAL A 3 -2.553 -11.280 -0.489 1.00 10.00 C ATOM 0 H VAL A 3 -5.149 -9.362 -0.632 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.268 -9.100 -1.794 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.600 -12.040 -2.231 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.145 -12.036 -2.662 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.032 -11.097 -3.886 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.147 -10.258 -2.590 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.935 -12.168 -0.357 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -1.978 -10.394 -0.218 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.432 -11.352 0.152 1.00 10.00 H new ATOM 41 N VAL A 4 -4.324 -8.289 -3.914 1.00 10.00 N ATOM 42 CA VAL A 4 -4.748 -7.824 -5.236 1.00 10.00 C ATOM 43 C VAL A 4 -3.596 -7.967 -6.237 1.00 10.00 C ATOM 44 O VAL A 4 -3.761 -8.533 -7.314 1.00 10.00 O ATOM 45 CB VAL A 4 -5.239 -6.363 -5.176 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.887 -5.949 -6.503 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.247 -6.123 -4.046 1.00 10.00 C ATOM 0 H VAL A 4 -4.158 -7.541 -3.241 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.582 -8.442 -5.569 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.354 -5.758 -4.982 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.225 -4.915 -6.436 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.158 -6.041 -7.308 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.739 -6.597 -6.710 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.558 -5.078 -4.052 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.118 -6.762 -4.194 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -5.783 -6.358 -3.088 1.00 10.00 H new ATOM 57 N THR A 5 -2.431 -7.429 -5.856 1.00 10.00 N ATOM 58 CA THR A 5 -1.272 -7.231 -6.727 1.00 10.00 C ATOM 59 C THR A 5 -1.528 -6.195 -7.832 1.00 10.00 C ATOM 60 O THR A 5 -2.596 -6.166 -8.435 1.00 10.00 O ATOM 61 CB THR A 5 -0.682 -8.573 -7.228 1.00 10.00 C ATOM 62 OG1 THR A 5 0.556 -8.812 -6.593 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.402 -8.618 -8.730 1.00 10.00 C ATOM 0 H THR A 5 -2.266 -7.110 -4.901 1.00 10.00 H new ATOM 0 HA THR A 5 -0.485 -6.786 -6.118 1.00 10.00 H new ATOM 0 HB THR A 5 -1.441 -9.319 -6.994 1.00 10.00 H new ATOM 0 HG1 THR A 5 1.126 -8.020 -6.679 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.009 -9.592 -8.994 1.00 10.00 H new ATOM 0 HG22 THR A 5 -1.330 -8.455 -9.278 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.315 -7.839 -8.990 1.00 10.00 H new ATOM 71 N TYR A 6 -0.561 -5.299 -8.065 1.00 10.00 N ATOM 72 CA TYR A 6 -0.654 -4.309 -9.143 1.00 10.00 C ATOM 73 C TYR A 6 0.448 -4.534 -10.178 1.00 10.00 C ATOM 74 O TYR A 6 1.628 -4.483 -9.827 1.00 10.00 O ATOM 75 CB TYR A 6 -0.584 -2.874 -8.613 1.00 10.00 C ATOM 76 CG TYR A 6 -1.916 -2.254 -8.217 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.759 -2.937 -7.322 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.272 -0.959 -8.649 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.941 -2.337 -6.863 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.455 -0.355 -8.177 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.295 -1.052 -7.294 1.00 10.00 C ATOM 82 OH TYR A 6 -5.477 -0.534 -6.869 1.00 10.00 O ATOM 0 H TYR A 6 0.298 -5.240 -7.518 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.627 -4.444 -9.616 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.076 -2.858 -7.746 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.124 -2.246 -9.376 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.495 -3.929 -6.986 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.637 -0.429 -9.343 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.581 -2.868 -6.174 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.715 0.644 -8.495 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.929 -1.182 -6.290 1.00 10.00 H new ATOM 92 N GLU A 7 0.056 -4.750 -11.437 1.00 10.00 N ATOM 93 CA GLU A 7 0.940 -5.177 -12.513 1.00 10.00 C ATOM 94 C GLU A 7 1.088 -4.108 -13.601 1.00 10.00 C ATOM 95 O GLU A 7 0.150 -3.838 -14.347 1.00 10.00 O ATOM 96 CB GLU A 7 0.453 -6.527 -13.056 1.00 10.00 C ATOM 97 CG GLU A 7 0.164 -7.490 -11.899 1.00 10.00 C ATOM 98 CD GLU A 7 0.367 -8.952 -12.252 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.381 -9.446 -13.119 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.286 -9.536 -11.637 1.00 10.00 O ATOM 0 H GLU A 7 -0.911 -4.628 -11.739 1.00 10.00 H new ATOM 0 HA GLU A 7 1.947 -5.312 -12.118 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.448 -6.384 -13.653 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.208 -6.956 -13.716 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.809 -7.236 -11.058 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.864 -7.346 -11.567 1.00 10.00 H new ATOM 107 N ASN A 8 2.277 -3.498 -13.670 1.00 10.00 N ATOM 108 CA ASN A 8 2.580 -2.377 -14.552 1.00 10.00 C ATOM 109 C ASN A 8 3.455 -2.806 -15.745 1.00 10.00 C ATOM 110 O ASN A 8 2.942 -3.079 -16.826 1.00 10.00 O ATOM 111 CB ASN A 8 3.171 -1.225 -13.715 1.00 10.00 C ATOM 112 CG ASN A 8 4.233 -1.661 -12.703 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.409 -1.792 -13.037 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.837 -1.957 -11.471 1.00 10.00 N ATOM 0 H ASN A 8 3.072 -3.782 -13.097 1.00 10.00 H new ATOM 0 HA ASN A 8 1.664 -2.007 -15.012 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.609 -0.489 -14.389 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.361 -0.726 -13.182 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.512 -2.298 -10.787 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.858 -1.843 -11.209 1.00 10.00 H new ATOM 121 N ALA A 9 4.777 -2.842 -15.556 1.00 10.00 N ATOM 122 CA ALA A 9 5.787 -3.051 -16.589 1.00 10.00 C ATOM 123 C ALA A 9 7.191 -3.107 -15.970 1.00 10.00 C ATOM 124 O ALA A 9 7.987 -3.986 -16.288 1.00 10.00 O ATOM 125 CB ALA A 9 5.718 -1.895 -17.589 1.00 10.00 C ATOM 0 H ALA A 9 5.189 -2.720 -14.631 1.00 10.00 H new ATOM 0 HA ALA A 9 5.592 -3.998 -17.091 1.00 10.00 H new ATOM 0 HB1 ALA A 9 6.469 -2.041 -18.366 1.00 10.00 H new ATOM 0 HB2 ALA A 9 4.727 -1.865 -18.043 1.00 10.00 H new ATOM 0 HB3 ALA A 9 5.909 -0.955 -17.072 1.00 10.00 H new ATOM 131 N ALA A 10 7.491 -2.153 -15.080 1.00 10.00 N ATOM 132 CA ALA A 10 8.793 -2.030 -14.428 1.00 10.00 C ATOM 133 C ALA A 10 8.989 -3.093 -13.339 1.00 10.00 C ATOM 134 O ALA A 10 10.083 -3.622 -13.161 1.00 10.00 O ATOM 135 CB ALA A 10 8.912 -0.619 -13.840 1.00 10.00 C ATOM 0 H ALA A 10 6.825 -1.437 -14.791 1.00 10.00 H new ATOM 0 HA ALA A 10 9.577 -2.194 -15.168 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.879 -0.510 -13.349 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.826 0.117 -14.640 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.116 -0.460 -13.113 1.00 10.00 H new ATOM 141 N GLY A 11 7.918 -3.379 -12.597 1.00 10.00 N ATOM 142 CA GLY A 11 7.917 -4.307 -11.472 1.00 10.00 C ATOM 143 C GLY A 11 6.518 -4.334 -10.875 1.00 10.00 C ATOM 144 O GLY A 11 6.031 -3.302 -10.414 1.00 10.00 O ATOM 0 H GLY A 11 7.005 -2.959 -12.769 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.208 -5.304 -11.802 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.644 -3.995 -10.722 1.00 10.00 H new ATOM 148 N ASN A 12 5.834 -5.475 -10.875 1.00 10.00 N ATOM 149 CA ASN A 12 4.543 -5.545 -10.205 1.00 10.00 C ATOM 150 C ASN A 12 4.737 -5.509 -8.688 1.00 10.00 C ATOM 151 O ASN A 12 5.797 -5.877 -8.183 1.00 10.00 O ATOM 152 CB ASN A 12 3.715 -6.754 -10.656 1.00 10.00 C ATOM 153 CG ASN A 12 4.424 -8.093 -10.470 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.631 -8.144 -10.279 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.714 -9.205 -10.569 1.00 10.00 N ATOM 0 H ASN A 12 6.142 -6.340 -11.319 1.00 10.00 H new ATOM 0 HA ASN A 12 3.964 -4.668 -10.495 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.779 -6.769 -10.098 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.457 -6.633 -11.708 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.173 -10.112 -10.486 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.708 -9.155 -10.728 1.00 10.00 H new ATOM 162 N VAL A 13 3.725 -5.023 -7.975 1.00 10.00 N ATOM 163 CA VAL A 13 3.695 -4.992 -6.514 1.00 10.00 C ATOM 164 C VAL A 13 2.602 -5.927 -5.985 1.00 10.00 C ATOM 165 O VAL A 13 1.686 -6.307 -6.711 1.00 10.00 O ATOM 166 CB VAL A 13 3.572 -3.534 -6.025 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.352 -2.844 -6.618 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.465 -3.378 -4.501 1.00 10.00 C ATOM 0 H VAL A 13 2.886 -4.632 -8.404 1.00 10.00 H new ATOM 0 HA VAL A 13 4.631 -5.372 -6.105 1.00 10.00 H new ATOM 0 HB VAL A 13 4.502 -3.076 -6.361 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.299 -1.819 -6.250 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.431 -2.836 -7.705 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.451 -3.382 -6.324 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.382 -2.321 -4.248 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.582 -3.907 -4.142 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.355 -3.795 -4.029 1.00 10.00 H new ATOM 178 N THR A 14 2.713 -6.293 -4.710 1.00 10.00 N ATOM 179 CA THR A 14 1.838 -7.183 -3.953 1.00 10.00 C ATOM 180 C THR A 14 1.037 -6.364 -2.950 1.00 10.00 C ATOM 181 O THR A 14 1.311 -6.337 -1.758 1.00 10.00 O ATOM 182 CB THR A 14 2.648 -8.334 -3.335 1.00 10.00 C ATOM 183 OG1 THR A 14 3.099 -9.133 -4.405 1.00 10.00 O ATOM 184 CG2 THR A 14 1.827 -9.266 -2.442 1.00 10.00 C ATOM 0 H THR A 14 3.480 -5.946 -4.134 1.00 10.00 H new ATOM 0 HA THR A 14 1.112 -7.665 -4.608 1.00 10.00 H new ATOM 0 HB THR A 14 3.432 -7.884 -2.726 1.00 10.00 H new ATOM 0 HG1 THR A 14 3.624 -9.882 -4.055 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.471 -10.051 -2.045 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.399 -8.696 -1.617 1.00 10.00 H new ATOM 0 HG23 THR A 14 1.025 -9.716 -3.026 1.00 10.00 H new ATOM 192 N PHE A 15 0.032 -5.676 -3.488 1.00 10.00 N ATOM 193 CA PHE A 15 -1.001 -4.989 -2.725 1.00 10.00 C ATOM 194 C PHE A 15 -1.757 -5.982 -1.826 1.00 10.00 C ATOM 195 O PHE A 15 -2.540 -6.805 -2.308 1.00 10.00 O ATOM 196 CB PHE A 15 -1.944 -4.271 -3.694 1.00 10.00 C ATOM 197 CG PHE A 15 -2.317 -2.878 -3.263 1.00 10.00 C ATOM 198 CD1 PHE A 15 -2.904 -2.652 -2.004 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.084 -1.803 -4.135 1.00 10.00 C ATOM 200 CE1 PHE A 15 -3.201 -1.341 -1.599 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.474 -0.510 -3.769 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.959 -0.269 -2.475 1.00 10.00 C ATOM 0 H PHE A 15 -0.087 -5.580 -4.496 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.545 -4.247 -2.070 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -1.473 -4.223 -4.676 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -2.853 -4.862 -3.806 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -3.125 -3.484 -1.352 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -1.604 -1.974 -5.087 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -3.614 -1.157 -0.618 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -2.402 0.300 -4.480 1.00 10.00 H new ATOM 0 HZ PHE A 15 -3.147 0.744 -2.151 1.00 10.00 H new ATOM 212 N ASP A 16 -1.508 -5.909 -0.524 1.00 10.00 N ATOM 213 CA ASP A 16 -1.641 -6.989 0.435 1.00 10.00 C ATOM 214 C ASP A 16 -2.844 -6.703 1.336 1.00 10.00 C ATOM 215 O ASP A 16 -2.765 -6.639 2.563 1.00 10.00 O ATOM 216 CB ASP A 16 -0.285 -7.148 1.159 1.00 10.00 C ATOM 217 CG ASP A 16 0.557 -5.881 1.339 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.007 -4.767 1.233 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.765 -6.060 1.593 1.00 10.00 O ATOM 0 H ASP A 16 -1.190 -5.043 -0.089 1.00 10.00 H new ATOM 0 HA ASP A 16 -1.854 -7.953 -0.026 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.475 -7.572 2.145 1.00 10.00 H new ATOM 0 HB3 ASP A 16 0.311 -7.876 0.608 1.00 10.00 H new ATOM 224 N HIS A 17 -3.993 -6.554 0.669 1.00 10.00 N ATOM 225 CA HIS A 17 -5.213 -5.952 1.191 1.00 10.00 C ATOM 226 C HIS A 17 -5.634 -6.610 2.504 1.00 10.00 C ATOM 227 O HIS A 17 -5.915 -5.954 3.506 1.00 10.00 O ATOM 228 CB HIS A 17 -6.289 -6.108 0.100 1.00 10.00 C ATOM 229 CG HIS A 17 -7.394 -5.079 0.096 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.695 -5.296 -0.296 1.00 10.00 N ATOM 231 CD2 HIS A 17 -7.318 -3.787 0.543 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.396 -4.188 -0.016 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.607 -3.245 0.523 1.00 10.00 N ATOM 0 H HIS A 17 -4.097 -6.867 -0.296 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.060 -4.898 1.422 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -5.796 -6.084 -0.872 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.741 -7.094 0.204 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -9.061 -6.147 -0.723 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -6.420 -3.276 0.856 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -10.454 -4.070 -0.199 1.00 10.00 H new ATOM 241 N LYS A 18 -5.634 -7.941 2.467 1.00 10.00 N ATOM 242 CA LYS A 18 -6.053 -8.784 3.580 1.00 10.00 C ATOM 243 C LYS A 18 -4.923 -9.009 4.593 1.00 10.00 C ATOM 244 O LYS A 18 -5.128 -8.847 5.789 1.00 10.00 O ATOM 245 CB LYS A 18 -6.658 -10.076 3.027 1.00 10.00 C ATOM 246 CG LYS A 18 -7.499 -10.820 4.079 1.00 10.00 C ATOM 247 CD LYS A 18 -6.690 -11.820 4.918 1.00 10.00 C ATOM 248 CE LYS A 18 -6.985 -13.264 4.494 1.00 10.00 C ATOM 249 NZ LYS A 18 -6.186 -14.216 5.293 1.00 10.00 N ATOM 0 H LYS A 18 -5.337 -8.471 1.648 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.828 -8.275 4.153 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.282 -9.843 2.164 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.859 -10.728 2.676 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.961 -10.091 4.744 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.308 -11.351 3.576 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.625 -11.615 4.806 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.930 -11.692 5.973 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.047 -13.476 4.621 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.759 -13.391 3.435 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -6.552 -15.179 5.153 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -5.192 -14.175 4.990 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -6.251 -13.964 6.300 1.00 10.00 H new ATOM 263 N ALA A 19 -3.721 -9.366 4.130 1.00 10.00 N ATOM 264 CA ALA A 19 -2.565 -9.589 5.002 1.00 10.00 C ATOM 265 C ALA A 19 -2.236 -8.369 5.876 1.00 10.00 C ATOM 266 O ALA A 19 -1.954 -8.520 7.062 1.00 10.00 O ATOM 267 CB ALA A 19 -1.363 -9.981 4.146 1.00 10.00 C ATOM 0 H ALA A 19 -3.523 -9.508 3.140 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.814 -10.397 5.690 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.498 -10.149 4.788 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.590 -10.895 3.597 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.141 -9.180 3.441 1.00 10.00 H new ATOM 273 N HIS A 20 -2.303 -7.158 5.314 1.00 10.00 N ATOM 274 CA HIS A 20 -2.270 -5.946 6.126 1.00 10.00 C ATOM 275 C HIS A 20 -3.446 -5.923 7.109 1.00 10.00 C ATOM 276 O HIS A 20 -3.233 -5.823 8.314 1.00 10.00 O ATOM 277 CB HIS A 20 -2.235 -4.696 5.235 1.00 10.00 C ATOM 278 CG HIS A 20 -0.856 -4.381 4.727 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.085 -5.330 4.447 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.256 -3.149 4.604 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.224 -4.689 4.169 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.084 -3.350 4.236 1.00 10.00 N ATOM 0 H HIS A 20 -2.380 -6.995 4.310 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.354 -5.944 6.717 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.905 -4.841 4.388 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.613 -3.843 5.799 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.055 -6.340 4.450 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.733 -2.193 4.763 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.150 -5.186 3.919 1.00 10.00 H new ATOM 290 N ALA A 21 -4.686 -6.044 6.619 1.00 10.00 N ATOM 291 CA ALA A 21 -5.884 -6.031 7.459 1.00 10.00 C ATOM 292 C ALA A 21 -5.807 -6.958 8.678 1.00 10.00 C ATOM 293 O ALA A 21 -6.239 -6.572 9.761 1.00 10.00 O ATOM 294 CB ALA A 21 -7.113 -6.390 6.633 1.00 10.00 C ATOM 0 H ALA A 21 -4.884 -6.154 5.625 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.959 -5.014 7.844 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.997 -6.376 7.271 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.235 -5.665 5.828 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.988 -7.386 6.208 1.00 10.00 H new ATOM 300 N GLU A 22 -5.247 -8.157 8.512 1.00 10.00 N ATOM 301 CA GLU A 22 -5.033 -9.121 9.588 1.00 10.00 C ATOM 302 C GLU A 22 -4.366 -8.489 10.830 1.00 10.00 C ATOM 303 O GLU A 22 -4.649 -8.891 11.957 1.00 10.00 O ATOM 304 CB GLU A 22 -4.222 -10.302 9.029 1.00 10.00 C ATOM 305 CG GLU A 22 -5.015 -11.103 7.976 1.00 10.00 C ATOM 306 CD GLU A 22 -5.611 -12.410 8.487 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.018 -12.453 9.664 1.00 10.00 O ATOM 308 OE2 GLU A 22 -5.672 -13.345 7.656 1.00 10.00 O ATOM 0 H GLU A 22 -4.923 -8.491 7.604 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.000 -9.479 9.941 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.300 -9.929 8.582 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.935 -10.963 9.846 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.821 -10.477 7.594 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.357 -11.323 7.136 1.00 10.00 H new ATOM 315 N LYS A 23 -3.503 -7.481 10.636 1.00 10.00 N ATOM 316 CA LYS A 23 -2.983 -6.628 11.699 1.00 10.00 C ATOM 317 C LYS A 23 -3.770 -5.309 11.815 1.00 10.00 C ATOM 318 O LYS A 23 -4.220 -4.930 12.892 1.00 10.00 O ATOM 319 CB LYS A 23 -1.513 -6.322 11.389 1.00 10.00 C ATOM 320 CG LYS A 23 -0.613 -7.553 11.538 1.00 10.00 C ATOM 321 CD LYS A 23 0.851 -7.098 11.446 1.00 10.00 C ATOM 322 CE LYS A 23 1.836 -8.262 11.607 1.00 10.00 C ATOM 323 NZ LYS A 23 1.900 -9.087 10.384 1.00 10.00 N ATOM 0 H LYS A 23 -3.143 -7.236 9.714 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.085 -7.152 12.650 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.432 -5.938 10.372 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.161 -5.535 12.056 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.798 -8.044 12.493 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.834 -8.281 10.757 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.019 -6.614 10.484 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.046 -6.352 12.216 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.828 -7.872 11.837 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.534 -8.882 12.451 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.410 -9.970 10.587 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 0.936 -9.310 10.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.400 -8.563 9.637 1.00 10.00 H new ATOM 337 N LEU A 24 -3.871 -4.576 10.704 1.00 10.00 N ATOM 338 CA LEU A 24 -4.301 -3.183 10.639 1.00 10.00 C ATOM 339 C LEU A 24 -5.811 -2.960 10.855 1.00 10.00 C ATOM 340 O LEU A 24 -6.226 -1.866 11.229 1.00 10.00 O ATOM 341 CB LEU A 24 -3.874 -2.607 9.282 1.00 10.00 C ATOM 342 CG LEU A 24 -2.367 -2.576 8.979 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.152 -1.692 7.744 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.540 -1.993 10.130 1.00 10.00 C ATOM 0 H LEU A 24 -3.644 -4.957 9.785 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.818 -2.667 11.469 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.365 -3.185 8.499 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.255 -1.588 9.212 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.038 -3.603 8.822 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.089 -1.652 7.506 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.698 -2.110 6.898 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.516 -0.685 7.949 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.484 -1.997 9.858 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.860 -0.970 10.326 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.686 -2.597 11.025 1.00 10.00 H new ATOM 356 N GLY A 25 -6.650 -3.963 10.588 1.00 10.00 N ATOM 357 CA GLY A 25 -8.084 -3.916 10.865 1.00 10.00 C ATOM 358 C GLY A 25 -8.891 -2.935 10.013 1.00 10.00 C ATOM 359 O GLY A 25 -9.800 -2.296 10.530 1.00 10.00 O ATOM 0 H GLY A 25 -6.347 -4.842 10.168 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.496 -4.915 10.724 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.225 -3.658 11.915 1.00 10.00 H new ATOM 363 N CYS A 26 -8.579 -2.849 8.713 1.00 10.00 N ATOM 364 CA CYS A 26 -9.220 -2.021 7.678 1.00 10.00 C ATOM 365 C CYS A 26 -9.120 -0.508 7.935 1.00 10.00 C ATOM 366 O CYS A 26 -8.571 0.219 7.108 1.00 10.00 O ATOM 367 CB CYS A 26 -10.660 -2.408 7.437 1.00 10.00 C ATOM 368 SG CYS A 26 -10.991 -4.190 7.246 1.00 10.00 S ATOM 0 H CYS A 26 -7.812 -3.399 8.326 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.645 -2.231 6.776 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.259 -2.035 8.268 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.007 -1.897 6.539 1.00 10.00 H new ATOM 373 N ASP A 27 -9.658 -0.040 9.065 1.00 10.00 N ATOM 374 CA ASP A 27 -9.781 1.341 9.510 1.00 10.00 C ATOM 375 C ASP A 27 -8.486 2.121 9.291 1.00 10.00 C ATOM 376 O ASP A 27 -8.497 3.236 8.773 1.00 10.00 O ATOM 377 CB ASP A 27 -10.190 1.328 10.992 1.00 10.00 C ATOM 378 CG ASP A 27 -11.618 0.845 11.222 1.00 10.00 C ATOM 379 OD1 ASP A 27 -12.070 -0.024 10.446 1.00 10.00 O ATOM 380 OD2 ASP A 27 -12.229 1.358 12.184 1.00 10.00 O ATOM 0 H ASP A 27 -10.054 -0.683 9.751 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.543 1.851 8.921 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.504 0.686 11.545 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.084 2.334 11.399 1.00 10.00 H new ATOM 385 N ALA A 28 -7.359 1.478 9.610 1.00 10.00 N ATOM 386 CA ALA A 28 -6.007 1.943 9.335 1.00 10.00 C ATOM 387 C ALA A 28 -5.810 2.612 7.965 1.00 10.00 C ATOM 388 O ALA A 28 -5.008 3.535 7.839 1.00 10.00 O ATOM 389 CB ALA A 28 -5.117 0.714 9.406 1.00 10.00 C ATOM 0 H ALA A 28 -7.371 0.578 10.089 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.768 2.716 10.066 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.084 1.001 9.207 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.186 0.272 10.400 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.441 -0.014 8.662 1.00 10.00 H new ATOM 395 N CYS A 29 -6.502 2.114 6.935 1.00 10.00 N ATOM 396 CA CYS A 29 -6.422 2.604 5.563 1.00 10.00 C ATOM 397 C CYS A 29 -7.742 3.244 5.103 1.00 10.00 C ATOM 398 O CYS A 29 -7.864 3.665 3.954 1.00 10.00 O ATOM 399 CB CYS A 29 -6.119 1.433 4.672 1.00 10.00 C ATOM 400 SG CYS A 29 -4.485 0.664 4.958 1.00 10.00 S ATOM 0 H CYS A 29 -7.152 1.335 7.041 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.645 3.367 5.511 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.892 0.677 4.812 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.176 1.759 3.633 1.00 10.00 H new ATOM 405 N HIS A 30 -8.758 3.267 5.967 1.00 10.00 N ATOM 406 CA HIS A 30 -10.137 3.498 5.582 1.00 10.00 C ATOM 407 C HIS A 30 -10.958 4.052 6.746 1.00 10.00 C ATOM 408 O HIS A 30 -11.686 3.308 7.401 1.00 10.00 O ATOM 409 CB HIS A 30 -10.734 2.166 5.112 1.00 10.00 C ATOM 410 CG HIS A 30 -10.244 1.617 3.808 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.461 2.162 2.570 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.808 0.342 3.613 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.130 1.236 1.644 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.727 0.102 2.235 1.00 10.00 N ATOM 0 H HIS A 30 -8.636 3.122 6.969 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.164 4.237 4.781 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.545 1.420 5.884 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.815 2.286 5.043 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.811 3.101 2.381 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.565 -0.366 4.391 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.183 1.388 0.576 1.00 10.00 H new ATOM 422 N GLU A 31 -10.897 5.365 6.960 1.00 10.00 N ATOM 423 CA GLU A 31 -11.621 6.008 8.041 1.00 10.00 C ATOM 424 C GLU A 31 -13.144 6.043 7.799 1.00 10.00 C ATOM 425 O GLU A 31 -13.720 7.087 7.498 1.00 10.00 O ATOM 426 CB GLU A 31 -11.024 7.400 8.263 1.00 10.00 C ATOM 427 CG GLU A 31 -9.566 7.324 8.749 1.00 10.00 C ATOM 428 CD GLU A 31 -8.997 8.703 9.053 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.243 9.181 10.181 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.337 9.254 8.147 1.00 10.00 O ATOM 0 H GLU A 31 -10.346 6.005 6.389 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.503 5.420 8.951 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.068 7.967 7.333 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.624 7.941 8.995 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.513 6.704 9.644 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.955 6.838 7.988 1.00 10.00 H new ATOM 437 N GLY A 32 -13.798 4.886 7.932 1.00 10.00 N ATOM 438 CA GLY A 32 -15.204 4.684 7.593 1.00 10.00 C ATOM 439 C GLY A 32 -15.409 4.407 6.097 1.00 10.00 C ATOM 440 O GLY A 32 -14.499 4.593 5.291 1.00 10.00 O ATOM 0 H GLY A 32 -13.349 4.042 8.289 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -15.599 3.849 8.172 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.775 5.568 7.878 1.00 10.00 H new ATOM 444 N THR A 33 -16.614 3.942 5.738 1.00 10.00 N ATOM 445 CA THR A 33 -17.104 3.730 4.366 1.00 10.00 C ATOM 446 C THR A 33 -16.006 3.339 3.360 1.00 10.00 C ATOM 447 O THR A 33 -15.631 4.145 2.507 1.00 10.00 O ATOM 448 CB THR A 33 -17.886 4.974 3.912 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.841 5.300 4.900 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.666 4.742 2.615 1.00 10.00 C ATOM 0 H THR A 33 -17.313 3.689 6.436 1.00 10.00 H new ATOM 0 HA THR A 33 -17.768 2.866 4.387 1.00 10.00 H new ATOM 0 HB THR A 33 -17.153 5.764 3.752 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.344 6.093 4.620 1.00 10.00 H new ATOM 0 HG21 THR A 33 -19.198 5.653 2.343 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.974 4.474 1.817 1.00 10.00 H new ATOM 0 HG23 THR A 33 -19.382 3.933 2.761 1.00 10.00 H new ATOM 458 N PRO A 34 -15.468 2.112 3.444 1.00 10.00 N ATOM 459 CA PRO A 34 -14.343 1.703 2.620 1.00 10.00 C ATOM 460 C PRO A 34 -14.740 1.617 1.140 1.00 10.00 C ATOM 461 O PRO A 34 -15.809 1.114 0.799 1.00 10.00 O ATOM 462 CB PRO A 34 -13.906 0.353 3.182 1.00 10.00 C ATOM 463 CG PRO A 34 -15.193 -0.216 3.775 1.00 10.00 C ATOM 464 CD PRO A 34 -15.878 1.033 4.329 1.00 10.00 C ATOM 0 HA PRO A 34 -13.526 2.424 2.652 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.501 -0.294 2.404 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.130 0.465 3.939 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.803 -0.713 3.021 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.991 -0.949 4.556 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.962 0.918 4.336 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.572 1.228 5.357 1.00 10.00 H new ATOM 472 N ALA A 35 -13.870 2.120 0.263 1.00 10.00 N ATOM 473 CA ALA A 35 -14.128 2.288 -1.163 1.00 10.00 C ATOM 474 C ALA A 35 -12.797 2.325 -1.930 1.00 10.00 C ATOM 475 O ALA A 35 -11.730 2.212 -1.323 1.00 10.00 O ATOM 476 CB ALA A 35 -14.931 3.582 -1.355 1.00 10.00 C ATOM 0 H ALA A 35 -12.938 2.431 0.537 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.706 1.452 -1.556 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.136 3.729 -2.415 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.872 3.510 -0.810 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.356 4.427 -0.976 1.00 10.00 H new ATOM 482 N LYS A 36 -12.841 2.492 -3.257 1.00 10.00 N ATOM 483 CA LYS A 36 -11.622 2.646 -4.044 1.00 10.00 C ATOM 484 C LYS A 36 -10.984 4.032 -3.870 1.00 10.00 C ATOM 485 O LYS A 36 -11.571 5.046 -4.237 1.00 10.00 O ATOM 486 CB LYS A 36 -11.845 2.339 -5.527 1.00 10.00 C ATOM 487 CG LYS A 36 -11.938 0.834 -5.809 1.00 10.00 C ATOM 488 CD LYS A 36 -11.688 0.527 -7.292 1.00 10.00 C ATOM 489 CE LYS A 36 -12.812 1.057 -8.191 1.00 10.00 C ATOM 490 NZ LYS A 36 -12.526 0.785 -9.614 1.00 10.00 N ATOM 0 H LYS A 36 -13.703 2.523 -3.801 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.922 1.908 -3.653 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -12.762 2.825 -5.861 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -11.028 2.764 -6.109 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -11.209 0.302 -5.198 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.924 0.468 -5.521 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -10.741 0.970 -7.598 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -11.594 -0.550 -7.427 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -13.757 0.591 -7.911 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -12.929 2.130 -8.039 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -13.302 1.154 -10.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.636 1.250 -9.884 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -12.438 -0.241 -9.761 1.00 10.00 H new ATOM 504 N ILE A 37 -9.767 4.053 -3.322 1.00 10.00 N ATOM 505 CA ILE A 37 -8.958 5.251 -3.095 1.00 10.00 C ATOM 506 C ILE A 37 -8.245 5.757 -4.357 1.00 10.00 C ATOM 507 O ILE A 37 -7.861 6.920 -4.442 1.00 10.00 O ATOM 508 CB ILE A 37 -8.004 5.006 -1.902 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.818 4.485 -0.698 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.219 6.273 -1.528 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.023 4.358 0.605 1.00 10.00 C ATOM 0 H ILE A 37 -9.300 3.201 -3.012 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.627 6.071 -2.834 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.269 4.256 -2.195 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.661 5.155 -0.529 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.232 3.509 -0.952 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.561 6.058 -0.686 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.623 6.597 -2.381 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.916 7.064 -1.251 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.676 3.985 1.395 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.196 3.663 0.460 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.631 5.335 0.889 1.00 10.00 H new ATOM 523 N ALA A 38 -8.109 4.875 -5.341 1.00 10.00 N ATOM 524 CA ALA A 38 -7.432 5.055 -6.617 1.00 10.00 C ATOM 525 C ALA A 38 -5.928 5.303 -6.502 1.00 10.00 C ATOM 526 O ALA A 38 -5.458 6.420 -6.302 1.00 10.00 O ATOM 527 CB ALA A 38 -8.138 6.088 -7.467 1.00 10.00 C ATOM 0 H ALA A 38 -8.503 3.938 -5.258 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.501 4.098 -7.134 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.611 6.202 -8.414 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -9.161 5.764 -7.658 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -8.152 7.043 -6.942 1.00 10.00 H new ATOM 533 N ILE A 39 -5.176 4.222 -6.664 1.00 10.00 N ATOM 534 CA ILE A 39 -3.727 4.183 -6.506 1.00 10.00 C ATOM 535 C ILE A 39 -3.014 4.135 -7.860 1.00 10.00 C ATOM 536 O ILE A 39 -3.250 3.234 -8.661 1.00 10.00 O ATOM 537 CB ILE A 39 -3.332 2.984 -5.641 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.027 3.028 -4.272 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.805 2.947 -5.495 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.509 4.104 -3.311 1.00 10.00 C ATOM 0 H ILE A 39 -5.571 3.317 -6.918 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.413 5.100 -6.008 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.663 2.068 -6.131 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.094 3.187 -4.429 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.917 2.054 -3.795 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.519 2.094 -4.879 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.347 2.853 -6.480 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.462 3.867 -5.022 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.063 4.052 -2.374 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.450 3.938 -3.115 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.645 5.088 -3.759 1.00 10.00 H new ATOM 552 N ASP A 40 -2.105 5.085 -8.086 1.00 10.00 N ATOM 553 CA ASP A 40 -1.289 5.188 -9.284 1.00 10.00 C ATOM 554 C ASP A 40 0.206 5.328 -8.954 1.00 10.00 C ATOM 555 O ASP A 40 0.613 5.437 -7.792 1.00 10.00 O ATOM 556 CB ASP A 40 -1.796 6.398 -10.082 1.00 10.00 C ATOM 557 CG ASP A 40 -1.387 7.736 -9.481 1.00 10.00 C ATOM 558 OD1 ASP A 40 -1.263 7.834 -8.238 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.155 8.656 -10.295 1.00 10.00 O ATOM 0 H ASP A 40 -1.915 5.827 -7.413 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.380 4.274 -9.871 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.417 6.336 -11.102 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.883 6.353 -10.143 1.00 10.00 H new ATOM 564 N LYS A 41 1.019 5.424 -10.010 1.00 10.00 N ATOM 565 CA LYS A 41 2.447 5.723 -9.951 1.00 10.00 C ATOM 566 C LYS A 41 2.749 7.183 -9.579 1.00 10.00 C ATOM 567 O LYS A 41 3.603 7.835 -10.177 1.00 10.00 O ATOM 568 CB LYS A 41 3.126 5.316 -11.265 1.00 10.00 C ATOM 569 CG LYS A 41 2.579 5.954 -12.556 1.00 10.00 C ATOM 570 CD LYS A 41 1.721 4.949 -13.350 1.00 10.00 C ATOM 571 CE LYS A 41 1.348 5.425 -14.757 1.00 10.00 C ATOM 572 NZ LYS A 41 2.503 5.344 -15.677 1.00 10.00 N ATOM 0 H LYS A 41 0.685 5.290 -10.964 1.00 10.00 H new ATOM 0 HA LYS A 41 2.867 5.128 -9.140 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.186 5.558 -11.189 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.053 4.233 -11.364 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.981 6.831 -12.307 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.408 6.298 -13.175 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.263 4.006 -13.428 1.00 10.00 H new ATOM 0 HD3 LYS A 41 0.807 4.746 -12.792 1.00 10.00 H new ATOM 0 HE2 LYS A 41 0.530 4.817 -15.143 1.00 10.00 H new ATOM 0 HE3 LYS A 41 0.988 6.453 -14.712 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.164 5.186 -16.647 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.040 6.234 -15.639 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.118 4.555 -15.393 1.00 10.00 H new ATOM 586 N LYS A 42 2.070 7.688 -8.554 1.00 10.00 N ATOM 587 CA LYS A 42 2.169 9.049 -8.061 1.00 10.00 C ATOM 588 C LYS A 42 1.759 9.006 -6.588 1.00 10.00 C ATOM 589 O LYS A 42 2.605 9.111 -5.700 1.00 10.00 O ATOM 590 CB LYS A 42 1.283 9.953 -8.940 1.00 10.00 C ATOM 591 CG LYS A 42 1.696 11.424 -8.956 1.00 10.00 C ATOM 592 CD LYS A 42 0.720 12.275 -9.793 1.00 10.00 C ATOM 593 CE LYS A 42 0.583 11.810 -11.256 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.530 10.851 -11.443 1.00 10.00 N ATOM 0 H LYS A 42 1.404 7.128 -8.021 1.00 10.00 H new ATOM 0 HA LYS A 42 3.174 9.467 -8.119 1.00 10.00 H new ATOM 0 HB2 LYS A 42 1.299 9.573 -9.962 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.253 9.882 -8.590 1.00 10.00 H new ATOM 0 HG2 LYS A 42 1.729 11.805 -7.935 1.00 10.00 H new ATOM 0 HG3 LYS A 42 2.703 11.516 -9.364 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.262 12.253 -9.321 1.00 10.00 H new ATOM 0 HD3 LYS A 42 1.056 13.312 -9.781 1.00 10.00 H new ATOM 0 HE2 LYS A 42 0.423 12.677 -11.896 1.00 10.00 H new ATOM 0 HE3 LYS A 42 1.516 11.346 -11.576 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.296 10.193 -12.214 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -0.678 10.316 -10.564 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.399 11.370 -11.683 1.00 10.00 H new ATOM 608 N SER A 43 0.479 8.725 -6.326 1.00 10.00 N ATOM 609 CA SER A 43 -0.071 8.565 -4.984 1.00 10.00 C ATOM 610 C SER A 43 0.760 7.575 -4.161 1.00 10.00 C ATOM 611 O SER A 43 1.222 7.909 -3.069 1.00 10.00 O ATOM 612 CB SER A 43 -1.539 8.125 -5.085 1.00 10.00 C ATOM 613 OG SER A 43 -2.224 8.927 -6.028 1.00 10.00 O ATOM 0 H SER A 43 -0.217 8.600 -7.061 1.00 10.00 H new ATOM 0 HA SER A 43 -0.028 9.521 -4.463 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.593 7.077 -5.380 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.019 8.207 -4.110 1.00 10.00 H new ATOM 0 HG SER A 43 -2.198 8.494 -6.907 1.00 10.00 H new ATOM 619 N ALA A 44 1.002 6.384 -4.730 1.00 10.00 N ATOM 620 CA ALA A 44 1.751 5.294 -4.104 1.00 10.00 C ATOM 621 C ALA A 44 3.159 5.684 -3.633 1.00 10.00 C ATOM 622 O ALA A 44 3.722 5.031 -2.755 1.00 10.00 O ATOM 623 CB ALA A 44 1.859 4.138 -5.101 1.00 10.00 C ATOM 0 H ALA A 44 0.670 6.150 -5.666 1.00 10.00 H new ATOM 0 HA ALA A 44 1.199 5.011 -3.208 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.415 3.317 -4.648 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.860 3.794 -5.369 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.379 4.478 -5.997 1.00 10.00 H new ATOM 629 N HIS A 45 3.752 6.714 -4.247 1.00 10.00 N ATOM 630 CA HIS A 45 5.100 7.179 -3.939 1.00 10.00 C ATOM 631 C HIS A 45 5.103 8.445 -3.070 1.00 10.00 C ATOM 632 O HIS A 45 6.110 8.748 -2.433 1.00 10.00 O ATOM 633 CB HIS A 45 5.853 7.420 -5.248 1.00 10.00 C ATOM 634 CG HIS A 45 5.816 6.236 -6.178 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.343 6.256 -7.466 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.225 4.957 -5.900 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.484 5.013 -7.953 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.014 4.175 -7.042 1.00 10.00 N ATOM 0 H HIS A 45 3.297 7.254 -4.983 1.00 10.00 H new ATOM 0 HA HIS A 45 5.600 6.406 -3.355 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.423 8.285 -5.753 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.891 7.665 -5.023 1.00 10.00 H new ATOM 0 HD1 HIS A 45 4.958 7.062 -7.959 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.638 4.613 -4.963 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.206 4.720 -8.955 1.00 10.00 H new ATOM 646 N LYS A 46 3.994 9.189 -3.059 1.00 10.00 N ATOM 647 CA LYS A 46 3.919 10.531 -2.488 1.00 10.00 C ATOM 648 C LYS A 46 3.621 10.483 -0.992 1.00 10.00 C ATOM 649 O LYS A 46 4.388 10.998 -0.181 1.00 10.00 O ATOM 650 CB LYS A 46 2.843 11.314 -3.255 1.00 10.00 C ATOM 651 CG LYS A 46 2.931 12.831 -3.040 1.00 10.00 C ATOM 652 CD LYS A 46 2.185 13.540 -4.180 1.00 10.00 C ATOM 653 CE LYS A 46 2.294 15.064 -4.043 1.00 10.00 C ATOM 654 NZ LYS A 46 1.715 15.755 -5.217 1.00 10.00 N ATOM 0 H LYS A 46 3.110 8.868 -3.454 1.00 10.00 H new ATOM 0 HA LYS A 46 4.881 11.033 -2.590 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.935 11.098 -4.319 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.858 10.966 -2.944 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.494 13.101 -2.079 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.973 13.148 -3.017 1.00 10.00 H new ATOM 0 HD2 LYS A 46 2.597 13.227 -5.139 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.136 13.245 -4.172 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.779 15.387 -3.138 1.00 10.00 H new ATOM 0 HE3 LYS A 46 3.341 15.347 -3.932 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.804 16.784 -5.093 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 2.223 15.464 -6.077 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.710 15.503 -5.307 1.00 10.00 H new ATOM 668 N ASP A 47 2.492 9.856 -0.657 1.00 10.00 N ATOM 669 CA ASP A 47 2.012 9.714 0.713 1.00 10.00 C ATOM 670 C ASP A 47 1.333 8.355 0.944 1.00 10.00 C ATOM 671 O ASP A 47 1.748 7.596 1.823 1.00 10.00 O ATOM 672 CB ASP A 47 1.092 10.892 1.047 1.00 10.00 C ATOM 673 CG ASP A 47 0.582 10.768 2.471 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.479 10.133 2.629 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.300 11.252 3.373 1.00 10.00 O ATOM 0 H ASP A 47 1.876 9.425 -1.346 1.00 10.00 H new ATOM 0 HA ASP A 47 2.863 9.735 1.394 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.632 11.831 0.926 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.252 10.916 0.352 1.00 10.00 H new ATOM 680 N ALA A 48 0.313 8.036 0.139 1.00 10.00 N ATOM 681 CA ALA A 48 -0.424 6.779 0.230 1.00 10.00 C ATOM 682 C ALA A 48 0.529 5.581 0.347 1.00 10.00 C ATOM 683 O ALA A 48 1.415 5.407 -0.489 1.00 10.00 O ATOM 684 CB ALA A 48 -1.355 6.633 -0.977 1.00 10.00 C ATOM 0 H ALA A 48 -0.024 8.653 -0.600 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.030 6.796 1.136 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.902 5.693 -0.903 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.061 7.463 -0.994 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.766 6.639 -1.894 1.00 10.00 H new ATOM 690 N CYS A 49 0.383 4.798 1.423 1.00 10.00 N ATOM 691 CA CYS A 49 1.240 3.662 1.785 1.00 10.00 C ATOM 692 C CYS A 49 2.618 4.097 2.279 1.00 10.00 C ATOM 693 O CYS A 49 3.003 3.788 3.409 1.00 10.00 O ATOM 694 CB CYS A 49 1.331 2.643 0.674 1.00 10.00 C ATOM 695 SG CYS A 49 -0.362 2.133 0.262 1.00 10.00 S ATOM 0 H CYS A 49 -0.370 4.946 2.095 1.00 10.00 H new ATOM 0 HA CYS A 49 0.755 3.171 2.628 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.826 3.070 -0.198 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.924 1.784 0.989 1.00 10.00 H new ATOM 700 N LYS A 50 3.350 4.828 1.437 1.00 10.00 N ATOM 701 CA LYS A 50 4.649 5.394 1.765 1.00 10.00 C ATOM 702 C LYS A 50 4.732 5.976 3.177 1.00 10.00 C ATOM 703 O LYS A 50 5.587 5.545 3.942 1.00 10.00 O ATOM 704 CB LYS A 50 5.022 6.451 0.727 1.00 10.00 C ATOM 705 CG LYS A 50 5.719 5.805 -0.471 1.00 10.00 C ATOM 706 CD LYS A 50 7.254 5.859 -0.400 1.00 10.00 C ATOM 707 CE LYS A 50 7.845 5.077 0.785 1.00 10.00 C ATOM 708 NZ LYS A 50 9.323 5.093 0.749 1.00 10.00 N ATOM 0 H LYS A 50 3.045 5.045 0.488 1.00 10.00 H new ATOM 0 HA LYS A 50 5.364 4.572 1.743 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.126 6.974 0.394 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.677 7.196 1.178 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.405 4.764 -0.544 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.389 6.303 -1.383 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.666 5.462 -1.328 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.569 6.900 -0.331 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.496 5.512 1.722 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.489 4.047 0.759 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.696 4.558 1.559 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.653 4.657 -0.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.661 6.075 0.797 1.00 10.00 H new ATOM 722 N THR A 51 3.891 6.951 3.523 1.00 10.00 N ATOM 723 CA THR A 51 3.951 7.644 4.812 1.00 10.00 C ATOM 724 C THR A 51 3.847 6.678 5.996 1.00 10.00 C ATOM 725 O THR A 51 4.709 6.702 6.874 1.00 10.00 O ATOM 726 CB THR A 51 2.935 8.792 4.851 1.00 10.00 C ATOM 727 OG1 THR A 51 3.393 9.769 3.944 1.00 10.00 O ATOM 728 CG2 THR A 51 2.847 9.458 6.225 1.00 10.00 C ATOM 0 H THR A 51 3.144 7.285 2.914 1.00 10.00 H new ATOM 0 HA THR A 51 4.937 8.098 4.916 1.00 10.00 H new ATOM 0 HB THR A 51 1.951 8.390 4.608 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.738 10.496 3.888 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.113 10.263 6.193 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.545 8.720 6.968 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.821 9.866 6.495 1.00 10.00 H new ATOM 736 N CYS A 52 2.863 5.770 5.994 1.00 10.00 N ATOM 737 CA CYS A 52 2.806 4.687 6.985 1.00 10.00 C ATOM 738 C CYS A 52 4.137 3.923 7.015 1.00 10.00 C ATOM 739 O CYS A 52 4.756 3.782 8.065 1.00 10.00 O ATOM 740 CB CYS A 52 1.640 3.769 6.712 1.00 10.00 C ATOM 741 SG CYS A 52 1.494 2.550 8.056 1.00 10.00 S ATOM 0 H CYS A 52 2.098 5.763 5.320 1.00 10.00 H new ATOM 0 HA CYS A 52 2.649 5.122 7.972 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.720 4.348 6.631 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.781 3.259 5.759 1.00 10.00 H new ATOM 746 N HIS A 53 4.624 3.527 5.836 1.00 10.00 N ATOM 747 CA HIS A 53 5.925 2.891 5.655 1.00 10.00 C ATOM 748 C HIS A 53 7.162 3.749 6.028 1.00 10.00 C ATOM 749 O HIS A 53 8.280 3.241 5.928 1.00 10.00 O ATOM 750 CB HIS A 53 6.011 2.434 4.191 1.00 10.00 C ATOM 751 CG HIS A 53 5.428 1.080 3.931 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.177 -0.023 3.642 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.127 0.680 4.041 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.344 -1.074 3.590 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.073 -0.713 3.829 1.00 10.00 N ATOM 0 H HIS A 53 4.110 3.644 4.963 1.00 10.00 H new ATOM 0 HA HIS A 53 5.970 2.062 6.361 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.498 3.164 3.565 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.057 2.431 3.885 1.00 10.00 H new ATOM 0 HD1 HIS A 53 7.186 -0.045 3.493 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.284 1.321 4.254 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.658 -2.086 3.381 1.00 10.00 H new ATOM 763 N LYS A 54 7.019 5.032 6.389 1.00 10.00 N ATOM 764 CA LYS A 54 8.130 5.859 6.853 1.00 10.00 C ATOM 765 C LYS A 54 8.290 5.798 8.372 1.00 10.00 C ATOM 766 O LYS A 54 9.408 5.746 8.879 1.00 10.00 O ATOM 767 CB LYS A 54 7.940 7.303 6.429 1.00 10.00 C ATOM 768 CG LYS A 54 7.972 7.424 4.911 1.00 10.00 C ATOM 769 CD LYS A 54 8.484 8.819 4.575 1.00 10.00 C ATOM 770 CE LYS A 54 8.253 9.168 3.100 1.00 10.00 C ATOM 771 NZ LYS A 54 8.597 10.579 2.817 1.00 10.00 N ATOM 0 H LYS A 54 6.125 5.522 6.366 1.00 10.00 H new ATOM 0 HA LYS A 54 9.034 5.459 6.394 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.990 7.677 6.809 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.724 7.922 6.865 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.621 6.663 4.479 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.977 7.269 4.493 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.982 9.553 5.205 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.549 8.880 4.801 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.855 8.512 2.471 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.210 8.988 2.841 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 8.429 10.782 1.811 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 8.005 11.204 3.400 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 9.599 10.744 3.041 1.00 10.00 H new ATOM 785 N SER A 55 7.177 5.841 9.110 1.00 10.00 N ATOM 786 CA SER A 55 7.163 5.973 10.568 1.00 10.00 C ATOM 787 C SER A 55 7.537 4.674 11.300 1.00 10.00 C ATOM 788 O SER A 55 6.951 4.357 12.333 1.00 10.00 O ATOM 789 CB SER A 55 5.768 6.448 10.992 1.00 10.00 C ATOM 790 OG SER A 55 5.433 7.650 10.322 1.00 10.00 O ATOM 0 H SER A 55 6.244 5.784 8.702 1.00 10.00 H new ATOM 0 HA SER A 55 7.925 6.699 10.850 1.00 10.00 H new ATOM 0 HB2 SER A 55 5.030 5.679 10.764 1.00 10.00 H new ATOM 0 HB3 SER A 55 5.742 6.605 12.070 1.00 10.00 H new ATOM 0 HG SER A 55 4.540 7.942 10.600 1.00 10.00 H new ATOM 796 N ASN A 56 8.510 3.924 10.777 1.00 10.00 N ATOM 797 CA ASN A 56 8.891 2.596 11.224 1.00 10.00 C ATOM 798 C ASN A 56 10.088 2.109 10.401 1.00 10.00 C ATOM 799 O ASN A 56 10.344 2.598 9.302 1.00 10.00 O ATOM 800 CB ASN A 56 7.714 1.618 11.053 1.00 10.00 C ATOM 801 CG ASN A 56 7.432 1.310 9.583 1.00 10.00 C ATOM 802 OD1 ASN A 56 7.156 2.186 8.777 1.00 10.00 O ATOM 803 ND2 ASN A 56 7.541 0.050 9.192 1.00 10.00 N ATOM 0 H ASN A 56 9.076 4.248 9.993 1.00 10.00 H new ATOM 0 HA ASN A 56 9.162 2.638 12.279 1.00 10.00 H new ATOM 0 HB2 ASN A 56 7.934 0.691 11.582 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.821 2.042 11.512 1.00 10.00 H new ATOM 0 HD21 ASN A 56 7.394 -0.195 8.213 1.00 10.00 H new ATOM 0 HD22 ASN A 56 7.772 -0.676 9.870 1.00 10.00 H new ATOM 810 N ASN A 57 10.769 1.073 10.886 1.00 10.00 N ATOM 811 CA ASN A 57 11.733 0.326 10.081 1.00 10.00 C ATOM 812 C ASN A 57 11.005 -0.534 9.030 1.00 10.00 C ATOM 813 O ASN A 57 10.980 -1.758 9.122 1.00 10.00 O ATOM 814 CB ASN A 57 12.639 -0.499 11.011 1.00 10.00 C ATOM 815 CG ASN A 57 13.701 -1.328 10.288 1.00 10.00 C ATOM 816 OD1 ASN A 57 14.033 -1.012 9.042 1.00 10.00 O flip ATOM 817 ND2 ASN A 57 14.248 -2.265 10.852 1.00 10.00 N flip ATOM 0 H ASN A 57 10.669 0.729 11.841 1.00 10.00 H new ATOM 0 HA ASN A 57 12.372 1.012 9.524 1.00 10.00 H new ATOM 0 HB2 ASN A 57 13.135 0.177 11.707 1.00 10.00 H new ATOM 0 HB3 ASN A 57 12.016 -1.168 11.605 1.00 10.00 H new ATOM 0 HD21 ASN A 57 13.990 -2.505 11.809 1.00 10.00 H new ATOM 0 HD22 ASN A 57 14.962 -2.807 10.365 1.00 10.00 H new ATOM 824 N GLY A 58 10.414 0.117 8.026 1.00 10.00 N ATOM 825 CA GLY A 58 9.730 -0.547 6.920 1.00 10.00 C ATOM 826 C GLY A 58 10.662 -0.804 5.729 1.00 10.00 C ATOM 827 O GLY A 58 11.734 -0.202 5.637 1.00 10.00 O ATOM 0 H GLY A 58 10.398 1.135 7.960 1.00 10.00 H new ATOM 0 HA2 GLY A 58 9.318 -1.495 7.267 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.889 0.066 6.595 1.00 10.00 H new ATOM 831 N PRO A 59 10.252 -1.654 4.772 1.00 10.00 N ATOM 832 CA PRO A 59 11.020 -1.937 3.563 1.00 10.00 C ATOM 833 C PRO A 59 10.931 -0.763 2.572 1.00 10.00 C ATOM 834 O PRO A 59 10.438 -0.897 1.454 1.00 10.00 O ATOM 835 CB PRO A 59 10.403 -3.235 3.023 1.00 10.00 C ATOM 836 CG PRO A 59 8.934 -3.104 3.428 1.00 10.00 C ATOM 837 CD PRO A 59 9.035 -2.454 4.808 1.00 10.00 C ATOM 0 HA PRO A 59 12.088 -2.058 3.745 1.00 10.00 H new ATOM 0 HB2 PRO A 59 10.519 -3.319 1.942 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.867 -4.118 3.463 1.00 10.00 H new ATOM 0 HG2 PRO A 59 8.372 -2.486 2.727 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.435 -4.072 3.470 1.00 10.00 H new ATOM 0 HD2 PRO A 59 8.163 -1.833 5.014 1.00 10.00 H new ATOM 0 HD3 PRO A 59 9.083 -3.207 5.594 1.00 10.00 H new ATOM 845 N THR A 60 11.410 0.419 2.971 1.00 10.00 N ATOM 846 CA THR A 60 11.261 1.658 2.202 1.00 10.00 C ATOM 847 C THR A 60 12.264 1.786 1.039 1.00 10.00 C ATOM 848 O THR A 60 12.930 2.810 0.887 1.00 10.00 O ATOM 849 CB THR A 60 11.255 2.881 3.141 1.00 10.00 C ATOM 850 OG1 THR A 60 11.138 4.056 2.363 1.00 10.00 O ATOM 851 CG2 THR A 60 12.516 3.006 4.003 1.00 10.00 C ATOM 0 H THR A 60 11.918 0.544 3.847 1.00 10.00 H new ATOM 0 HA THR A 60 10.289 1.618 1.710 1.00 10.00 H new ATOM 0 HB THR A 60 10.411 2.746 3.818 1.00 10.00 H new ATOM 0 HG1 THR A 60 11.792 4.032 1.634 1.00 10.00 H new ATOM 0 HG21 THR A 60 12.438 3.890 4.636 1.00 10.00 H new ATOM 0 HG22 THR A 60 12.619 2.119 4.628 1.00 10.00 H new ATOM 0 HG23 THR A 60 13.390 3.098 3.358 1.00 10.00 H new ATOM 859 N LYS A 61 12.313 0.772 0.172 1.00 10.00 N ATOM 860 CA LYS A 61 13.085 0.739 -1.070 1.00 10.00 C ATOM 861 C LYS A 61 12.177 0.205 -2.187 1.00 10.00 C ATOM 862 O LYS A 61 11.254 -0.553 -1.900 1.00 10.00 O ATOM 863 CB LYS A 61 14.319 -0.155 -0.852 1.00 10.00 C ATOM 864 CG LYS A 61 15.314 -0.130 -2.024 1.00 10.00 C ATOM 865 CD LYS A 61 16.469 -1.128 -1.838 1.00 10.00 C ATOM 866 CE LYS A 61 17.393 -0.754 -0.668 1.00 10.00 C ATOM 867 NZ LYS A 61 18.562 -1.659 -0.589 1.00 10.00 N ATOM 0 H LYS A 61 11.789 -0.090 0.326 1.00 10.00 H new ATOM 0 HA LYS A 61 13.433 1.731 -1.358 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.832 0.164 0.056 1.00 10.00 H new ATOM 0 HB3 LYS A 61 13.989 -1.181 -0.688 1.00 10.00 H new ATOM 0 HG2 LYS A 61 14.786 -0.359 -2.950 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.721 0.876 -2.130 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.060 -2.124 -1.668 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.054 -1.176 -2.757 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.735 0.274 -0.787 1.00 10.00 H new ATOM 0 HE3 LYS A 61 16.834 -0.798 0.267 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.165 -1.379 0.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 18.235 -2.637 -0.451 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.108 -1.598 -1.472 1.00 10.00 H new ATOM 881 N CYS A 62 12.421 0.577 -3.450 1.00 10.00 N ATOM 882 CA CYS A 62 11.613 0.137 -4.598 1.00 10.00 C ATOM 883 C CYS A 62 11.324 -1.372 -4.552 1.00 10.00 C ATOM 884 O CYS A 62 10.166 -1.790 -4.538 1.00 10.00 O ATOM 885 CB CYS A 62 12.270 0.519 -5.907 1.00 10.00 C ATOM 886 SG CYS A 62 13.030 2.174 -5.909 1.00 10.00 S ATOM 0 H CYS A 62 13.190 1.196 -3.707 1.00 10.00 H new ATOM 0 HA CYS A 62 10.656 0.655 -4.532 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.035 -0.220 -6.145 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.525 0.473 -6.701 1.00 10.00 H new ATOM 891 N GLY A 63 12.393 -2.171 -4.455 1.00 10.00 N ATOM 892 CA GLY A 63 12.355 -3.627 -4.321 1.00 10.00 C ATOM 893 C GLY A 63 11.505 -4.146 -3.151 1.00 10.00 C ATOM 894 O GLY A 63 11.039 -5.280 -3.172 1.00 10.00 O ATOM 0 H GLY A 63 13.345 -1.804 -4.469 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.970 -4.053 -5.248 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.375 -3.993 -4.201 1.00 10.00 H new ATOM 898 N GLY A 64 11.297 -3.325 -2.116 1.00 10.00 N ATOM 899 CA GLY A 64 10.420 -3.645 -0.995 1.00 10.00 C ATOM 900 C GLY A 64 8.946 -3.757 -1.399 1.00 10.00 C ATOM 901 O GLY A 64 8.178 -4.447 -0.733 1.00 10.00 O ATOM 0 H GLY A 64 11.740 -2.410 -2.037 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.741 -4.586 -0.547 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.523 -2.876 -0.229 1.00 10.00 H new ATOM 905 N CYS A 65 8.554 -3.081 -2.486 1.00 10.00 N ATOM 906 CA CYS A 65 7.214 -3.175 -3.064 1.00 10.00 C ATOM 907 C CYS A 65 7.247 -3.941 -4.389 1.00 10.00 C ATOM 908 O CYS A 65 6.508 -4.901 -4.580 1.00 10.00 O ATOM 909 CB CYS A 65 6.647 -1.795 -3.267 1.00 10.00 C ATOM 910 SG CYS A 65 6.199 -1.021 -1.682 1.00 10.00 S ATOM 0 H CYS A 65 9.170 -2.445 -2.993 1.00 10.00 H new ATOM 0 HA CYS A 65 6.573 -3.723 -2.373 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.377 -1.172 -3.784 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.767 -1.852 -3.907 1.00 10.00 H new ATOM 915 N HIS A 66 8.084 -3.490 -5.321 1.00 10.00 N ATOM 916 CA HIS A 66 8.151 -3.999 -6.677 1.00 10.00 C ATOM 917 C HIS A 66 9.015 -5.266 -6.780 1.00 10.00 C ATOM 918 O HIS A 66 10.167 -5.255 -6.354 1.00 10.00 O ATOM 919 CB HIS A 66 8.708 -2.865 -7.545 1.00 10.00 C ATOM 920 CG HIS A 66 7.776 -1.698 -7.630 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.626 -1.698 -8.354 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.932 -0.444 -7.112 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.106 -0.465 -8.319 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.856 0.348 -7.563 1.00 10.00 N ATOM 0 H HIS A 66 8.751 -2.739 -5.142 1.00 10.00 H new ATOM 0 HA HIS A 66 7.160 -4.299 -7.017 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.663 -2.534 -7.136 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.905 -3.243 -8.548 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.227 -2.501 -8.841 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.737 -0.117 -6.471 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.203 -0.166 -8.831 1.00 10.00 H new ATOM 932 N ILE A 67 8.507 -6.327 -7.420 1.00 10.00 N ATOM 933 CA ILE A 67 9.344 -7.461 -7.825 1.00 10.00 C ATOM 934 C ILE A 67 10.543 -6.963 -8.648 1.00 10.00 C ATOM 935 O ILE A 67 10.391 -6.073 -9.488 1.00 10.00 O ATOM 936 CB ILE A 67 8.517 -8.483 -8.629 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.295 -9.013 -7.859 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.385 -9.656 -9.110 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.622 -9.759 -6.561 1.00 10.00 C ATOM 0 H ILE A 67 7.522 -6.423 -7.668 1.00 10.00 H new ATOM 0 HA ILE A 67 9.719 -7.958 -6.930 1.00 10.00 H new ATOM 0 HB ILE A 67 8.141 -7.939 -9.496 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.641 -8.174 -7.623 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.734 -9.681 -8.513 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.769 -10.357 -9.673 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.184 -9.280 -9.749 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.819 -10.165 -8.249 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.697 -10.094 -6.091 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.248 -10.623 -6.785 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.154 -9.092 -5.882 1.00 10.00 H new ATOM 951 N LYS A 68 11.733 -7.510 -8.391 1.00 10.00 N ATOM 952 CA LYS A 68 12.984 -7.078 -8.977 1.00 10.00 C ATOM 953 C LYS A 68 13.986 -8.242 -8.939 1.00 10.00 C ATOM 954 O LYS A 68 13.797 -9.121 -8.067 1.00 10.00 O ATOM 955 CB LYS A 68 13.470 -5.862 -8.169 1.00 10.00 C ATOM 956 CG LYS A 68 14.917 -5.463 -8.469 1.00 10.00 C ATOM 957 CD LYS A 68 15.073 -4.971 -9.918 1.00 10.00 C ATOM 958 CE LYS A 68 16.522 -5.051 -10.406 1.00 10.00 C ATOM 959 NZ LYS A 68 17.445 -4.329 -9.509 1.00 10.00 N ATOM 960 OXT LYS A 68 14.935 -8.207 -9.755 1.00 10.00 O ATOM 0 H LYS A 68 11.846 -8.292 -7.746 1.00 10.00 H new ATOM 0 HA LYS A 68 12.871 -6.787 -10.021 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.818 -5.014 -8.378 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.376 -6.082 -7.106 1.00 10.00 H new ATOM 0 HG2 LYS A 68 15.230 -4.678 -7.781 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.574 -6.316 -8.300 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.438 -5.568 -10.572 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.724 -3.941 -9.989 1.00 10.00 H new ATOM 0 HE2 LYS A 68 16.825 -6.096 -10.474 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.591 -4.633 -11.410 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 18.386 -4.276 -9.949 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.086 -3.367 -9.342 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.515 -4.834 -8.603 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.210 -1.579 1.338 1.00 10.00 FE HETATM 976 CHA HEC A 130 -9.884 -0.876 -1.820 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.250 -2.426 1.970 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.038 -3.227 3.904 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.520 0.263 1.198 1.00 10.00 C HETATM 980 NA HEC A 130 -10.758 -1.550 0.321 1.00 10.00 N HETATM 981 C1A HEC A 130 -10.865 -1.270 -0.988 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.244 -1.430 -1.401 1.00 10.00 C HETATM 983 C3A HEC A 130 -12.941 -1.744 -0.269 1.00 10.00 C HETATM 984 C4A HEC A 130 -11.953 -1.908 0.770 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.426 -2.037 -0.187 1.00 10.00 C HETATM 986 CAA HEC A 130 -12.818 -1.417 -2.806 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.153 -2.841 -3.290 1.00 10.00 C HETATM 988 CGA HEC A 130 -11.996 -3.842 -3.083 1.00 10.00 C HETATM 989 O1A HEC A 130 -12.022 -4.576 -2.065 1.00 10.00 O HETATM 990 O2A HEC A 130 -11.076 -3.836 -3.930 1.00 10.00 O HETATM 991 NB HEC A 130 -9.987 -2.577 2.692 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.282 -2.793 2.818 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.544 -3.604 3.984 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.319 -3.882 4.532 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.356 -3.225 3.672 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.895 -4.142 4.420 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.026 -4.689 5.792 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.209 -6.198 5.587 1.00 10.00 C HETATM 999 NC HEC A 130 -7.607 -1.517 2.320 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.273 -2.311 3.322 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.926 -2.031 3.753 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.546 -0.916 3.062 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.618 -0.659 2.137 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.107 -2.787 4.777 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.319 -0.058 3.303 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.987 -0.736 2.982 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.343 -0.574 -0.046 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.260 0.149 0.122 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.852 0.756 -1.112 1.00 10.00 C HETATM 1010 C3D HEC A 130 -7.782 0.386 -2.036 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.724 -0.454 -1.314 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.567 1.517 -1.371 1.00 10.00 C HETATM 1013 CAD HEC A 130 -7.984 1.099 -3.356 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.217 0.616 -4.593 1.00 10.00 C HETATM 1015 CGD HEC A 130 -7.402 1.631 -5.742 1.00 10.00 C HETATM 1016 O1D HEC A 130 -8.489 2.259 -5.768 1.00 10.00 O HETATM 1017 O2D HEC A 130 -6.449 1.824 -6.539 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.514 2.379 -0.706 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.714 0.864 -1.187 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.547 1.856 -2.407 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.617 -2.764 5.740 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -4.986 -3.821 4.455 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.127 -2.321 4.875 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.577 -3.311 4.599 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.301 -4.783 3.637 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.778 -4.719 5.337 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -14.988 -1.170 -0.535 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.662 -2.897 -0.813 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.697 -2.255 0.846 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.158 0.506 -4.358 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -7.579 -0.366 -4.899 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.873 -1.626 3.601 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.968 -1.021 1.930 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.169 -0.045 3.186 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.238 -6.403 5.292 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.532 -6.544 4.806 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.987 -6.721 6.517 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -14.035 -3.200 -2.759 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -13.410 -2.807 -4.349 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.047 1.057 -3.592 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.733 2.149 -3.204 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.718 -0.803 -2.827 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.103 -0.958 -3.489 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.836 1.104 1.315 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.597 -3.973 4.564 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.294 -2.550 2.259 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.036 -0.901 -2.899 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.201 0.976 -6.964 1.00 10.00 H new HETATM 0 H2A HEC A 130 -10.390 -4.486 -3.672 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.551 -2.031 3.940 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.581 -4.372 5.197 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.153 -3.123 0.876 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.384 0.188 2.748 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.085 -0.790 7.007 1.00 10.00 C HETATM 1055 NA HEC A 153 3.667 -3.412 3.198 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.407 -4.300 3.877 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.059 -5.211 2.964 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.644 -4.846 1.715 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.744 -3.730 1.905 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.009 -5.503 0.397 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.995 -6.351 3.323 1.00 10.00 C HETATM 1062 CBA HEC A 153 5.250 -7.615 3.792 1.00 10.00 C HETATM 1063 CGA HEC A 153 6.188 -8.743 4.263 1.00 10.00 C HETATM 1064 O1A HEC A 153 7.236 -8.405 4.862 1.00 10.00 O HETATM 1065 O2A HEC A 153 5.846 -9.923 4.024 1.00 10.00 O HETATM 1066 NB HEC A 153 1.930 -1.527 2.174 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.291 -2.110 1.033 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.627 -1.474 -0.092 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.830 -0.487 0.434 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.028 -0.591 1.877 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.770 -1.831 -1.565 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.162 0.426 -0.334 1.00 10.00 C HETATM 1073 CBB HEC A 153 0.038 0.644 -1.841 1.00 10.00 C HETATM 1074 NC HEC A 153 1.442 -0.608 4.719 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.610 0.178 4.057 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.052 1.103 4.958 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.444 0.819 6.201 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.393 -0.259 6.002 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.054 2.199 4.616 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.111 1.491 7.533 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.219 2.250 7.671 1.00 10.00 C HETATM 1082 ND HEC A 153 3.212 -2.473 5.714 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.901 -1.834 6.840 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.599 -2.419 7.958 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.265 -3.501 7.464 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.019 -3.493 6.036 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.569 -1.956 9.404 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.086 -4.483 8.290 1.00 10.00 C HETATM 1089 CBD HEC A 153 4.253 -5.297 9.299 1.00 10.00 C HETATM 1090 CGD HEC A 153 3.133 -6.151 8.678 1.00 10.00 C HETATM 1091 O1D HEC A 153 2.212 -5.570 8.066 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.157 -7.385 8.903 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.938 -0.932 9.466 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.546 -1.997 9.778 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.202 -2.607 10.008 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.593 2.914 3.934 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.929 1.756 4.140 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.358 2.712 5.529 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.811 -1.715 -1.868 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.460 -2.864 -1.721 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.142 -1.170 -2.162 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.089 -5.461 0.256 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.684 -6.543 0.407 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.516 -4.977 -0.421 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 4.923 -5.952 9.856 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 3.809 -4.610 10.019 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.254 3.058 6.940 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.049 1.565 7.495 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.298 2.665 8.676 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 1.015 1.095 -2.017 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.018 -0.314 -2.358 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.741 1.306 -2.219 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 4.577 -7.349 4.607 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 4.630 -7.986 2.975 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 5.597 -5.171 7.617 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.857 -3.933 8.830 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.608 -6.598 2.456 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.674 -6.023 4.110 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.982 -0.357 8.002 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.372 0.873 2.363 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.380 -3.465 -0.134 1.00 10.00 H new HETATM 0 HHA HEC A 153 5.200 -5.171 5.606 1.00 10.00 H new HETATM 0 H2D HEC A 153 2.922 -7.871 8.085 1.00 10.00 H new HETATM 0 H2A HEC A 153 6.614 -10.519 4.153 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.470 2.272 -7.328 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.109 2.258 -9.710 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.778 2.949 -9.572 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.701 2.524 -4.888 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.214 1.124 -5.138 1.00 10.00 C HETATM 1130 NA HEC A 166 6.453 2.497 -9.241 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.387 2.455 -10.060 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.805 2.706 -11.427 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.145 2.961 -11.361 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.522 2.773 -9.982 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.030 3.458 -12.491 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.945 2.844 -12.672 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.467 2.138 -13.940 1.00 10.00 C HETATM 1138 CGA HEC A 166 5.362 3.041 -15.182 1.00 10.00 C HETATM 1139 O1A HEC A 166 6.421 3.353 -15.768 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.227 3.479 -15.487 1.00 10.00 O HETATM 1141 NB HEC A 166 8.337 2.669 -7.240 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.117 2.908 -8.285 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.473 3.165 -7.858 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.459 3.083 -6.491 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.089 2.754 -6.144 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.655 3.478 -8.759 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.642 3.289 -5.547 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.160 4.733 -5.545 1.00 10.00 C HETATM 1149 NC HEC A 166 6.458 1.917 -5.424 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.486 2.065 -4.604 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.145 1.642 -3.268 1.00 10.00 C HETATM 1152 C3C HEC A 166 5.875 1.142 -3.353 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.450 1.398 -4.714 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.066 1.621 -2.060 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.145 0.330 -2.288 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.595 1.153 -1.118 1.00 10.00 C HETATM 1157 ND HEC A 166 4.547 1.848 -7.397 1.00 10.00 N HETATM 1158 C1D HEC A 166 3.815 1.381 -6.383 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.454 1.148 -6.815 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.401 1.543 -8.116 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.747 1.942 -8.466 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.287 0.560 -6.041 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.163 1.501 -8.995 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.273 0.606 -10.247 1.00 10.00 C HETATM 1165 CGD HEC A 166 0.924 1.321 -11.567 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.361 0.653 -12.458 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.267 2.521 -11.679 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.536 -0.451 -5.720 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.082 1.178 -5.167 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.404 0.531 -6.680 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.915 0.967 -2.261 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.425 2.630 -1.859 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.520 1.251 -1.192 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.817 2.649 -9.448 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.450 4.386 -9.326 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.548 3.624 -8.151 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.008 2.742 -13.312 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.665 4.423 -12.842 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.053 3.566 -12.131 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.289 0.218 -10.315 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.612 -0.252 -10.126 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.416 1.664 -0.615 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 3.884 1.889 -1.493 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.093 0.491 -0.412 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.486 5.004 -6.549 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.362 5.405 -5.229 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.000 4.817 -4.856 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.506 1.845 -13.791 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.898 1.223 -14.107 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.322 1.155 -8.394 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.930 2.517 -9.314 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.952 2.455 -12.447 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 4.830 3.905 -12.893 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.507 0.674 -4.441 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.399 2.718 -4.073 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.554 3.133 -10.315 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.335 2.360 -10.471 1.00 10.00 H new HETATM 0 H2D HEC A 166 0.540 3.099 -11.367 1.00 10.00 H new HETATM 0 H2A HEC A 166 4.199 3.675 -16.447 1.00 10.00 H new