USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (30 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 10 ZAB HN2 : A 10 ZAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: A 10 ZAB HN1 : A 10 ZAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN2 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN1 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD Set 1.1: D 27 ASN :FLIP amide:sc= 0.546 F(o=-0.082,f=1.1) USER MOD Set 1.2: D 32 HIS :FLIP no HD1:sc= 0.505 F(o=-0.1,f=1.1) USER MOD Set 1.3: D 34 TYR OH : rot 98:sc= 0.033 USER MOD Set 2.1: C 27 ASN : amide:sc= 0.0883 X(o=-0.047,f=0.31) USER MOD Set 2.2: C 32 HIS : no HD1:sc= -0.218 X(o=-0.047,f=0.31) USER MOD Set 2.3: C 34 TYR OH : rot 180:sc= 0.0828 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.142 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 6 THR OG1 : rot 10:sc= 0.376 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -127:sc= 0.117 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : C 19 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : C 23 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.52) USER MOD Single : C 24 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD Single : C 25 TYR OH : rot -174:sc= 1.28 USER MOD Single : C 30 THR OG1 : rot -79:sc= 1.25 USER MOD Single : D 19 TYR OH : rot 180:sc= 0 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 23 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.31) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : D 25 TYR OH : rot -130:sc= 0.0214 USER MOD Single : D 30 THR OG1 : rot -80:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.344 4.393 8.986 1.00 0.00 N ATOM 2 CA GLY A 1 18.618 3.338 8.271 1.00 0.00 C ATOM 3 C GLY A 1 19.423 2.049 8.255 1.00 0.00 C ATOM 4 O GLY A 1 20.509 2.002 8.829 1.00 0.00 O ATOM 0 H1 GLY A 1 18.827 4.644 9.853 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.294 4.052 9.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.426 5.232 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.654 3.165 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.414 3.658 7.249 1.00 0.00 H new ATOM 8 N PRO A 2 18.906 0.983 7.628 1.00 0.00 N ATOM 9 CA PRO A 2 19.589 -0.301 7.554 1.00 0.00 C ATOM 10 C PRO A 2 20.924 -0.244 6.813 1.00 0.00 C ATOM 11 O PRO A 2 21.151 0.614 5.958 1.00 0.00 O ATOM 12 CB PRO A 2 18.617 -1.235 6.832 1.00 0.00 C ATOM 13 CG PRO A 2 17.706 -0.297 6.040 1.00 0.00 C ATOM 14 CD PRO A 2 17.632 0.936 6.929 1.00 0.00 C ATOM 0 HA PRO A 2 19.845 -0.642 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.144 -1.926 6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 2 18.048 -1.839 7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.121 -0.064 5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 2 16.722 -0.735 5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 2 17.474 1.838 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.801 0.866 7.631 1.00 0.00 H new ATOM 22 N SER A 3 21.751 -1.256 7.054 1.00 0.00 N ATOM 23 CA SER A 3 23.058 -1.429 6.450 1.00 0.00 C ATOM 24 C SER A 3 22.932 -2.314 5.201 1.00 0.00 C ATOM 25 O SER A 3 23.644 -2.089 4.216 1.00 0.00 O ATOM 26 CB SER A 3 23.972 -2.069 7.503 1.00 0.00 C ATOM 27 OG SER A 3 25.331 -1.996 7.133 1.00 0.00 O ATOM 0 H SER A 3 21.515 -2.007 7.703 1.00 0.00 H new ATOM 0 HA SER A 3 23.481 -0.475 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.829 -1.568 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.689 -3.112 7.643 1.00 0.00 H new ATOM 0 HG SER A 3 25.882 -2.412 7.828 1.00 0.00 H new ATOM 33 N GLN A 4 22.000 -3.279 5.205 1.00 0.00 N ATOM 34 CA GLN A 4 21.743 -4.223 4.118 1.00 0.00 C ATOM 35 C GLN A 4 20.215 -4.387 3.928 1.00 0.00 C ATOM 36 O GLN A 4 19.457 -4.173 4.880 1.00 0.00 O ATOM 37 CB GLN A 4 22.417 -5.560 4.466 1.00 0.00 C ATOM 38 CG GLN A 4 23.957 -5.536 4.557 1.00 0.00 C ATOM 39 CD GLN A 4 24.423 -6.310 5.783 1.00 0.00 C ATOM 40 OE1 GLN A 4 24.251 -5.841 6.902 1.00 0.00 O ATOM 41 NE2 GLN A 4 24.664 -7.603 5.638 1.00 0.00 N ATOM 0 H GLN A 4 21.381 -3.425 6.002 1.00 0.00 H new ATOM 0 HA GLN A 4 22.156 -3.857 3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 4 22.022 -5.906 5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 4 22.128 -6.296 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 4 24.389 -5.973 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 4 24.309 -4.506 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 4 24.807 -7.994 4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 4 24.707 -8.209 6.457 1.00 0.00 H new ATOM 50 N PRO A 5 19.742 -4.848 2.758 1.00 0.00 N ATOM 51 CA PRO A 5 18.320 -5.010 2.449 1.00 0.00 C ATOM 52 C PRO A 5 17.625 -6.260 3.020 1.00 0.00 C ATOM 53 O PRO A 5 17.671 -7.331 2.415 1.00 0.00 O ATOM 54 CB PRO A 5 18.258 -5.002 0.917 1.00 0.00 C ATOM 55 CG PRO A 5 19.590 -5.627 0.515 1.00 0.00 C ATOM 56 CD PRO A 5 20.552 -5.129 1.583 1.00 0.00 C ATOM 0 HA PRO A 5 17.765 -4.205 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.412 -5.580 0.545 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.151 -3.991 0.523 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.535 -6.715 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 5 19.898 -5.310 -0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 5 21.311 -5.879 1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 5 21.076 -4.234 1.248 1.00 0.00 H new ATOM 64 N THR A 6 16.939 -6.129 4.154 1.00 0.00 N ATOM 65 CA THR A 6 16.169 -7.180 4.817 1.00 0.00 C ATOM 66 C THR A 6 15.053 -6.441 5.551 1.00 0.00 C ATOM 67 O THR A 6 15.289 -5.675 6.489 1.00 0.00 O ATOM 68 CB THR A 6 17.009 -8.102 5.706 1.00 0.00 C ATOM 69 OG1 THR A 6 17.821 -8.932 4.892 1.00 0.00 O ATOM 70 CG2 THR A 6 16.155 -9.050 6.553 1.00 0.00 C ATOM 0 H THR A 6 16.903 -5.244 4.660 1.00 0.00 H new ATOM 0 HA THR A 6 15.762 -7.891 4.098 1.00 0.00 H new ATOM 0 HB THR A 6 17.588 -7.448 6.359 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.785 -8.617 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.805 -9.679 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.500 -8.468 7.202 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.551 -9.679 5.898 1.00 0.00 H new ATOM 78 N TYR A 7 13.849 -6.549 5.016 1.00 0.00 N ATOM 79 CA TYR A 7 12.637 -5.913 5.505 1.00 0.00 C ATOM 80 C TYR A 7 11.509 -6.953 5.580 1.00 0.00 C ATOM 81 O TYR A 7 11.570 -7.960 4.878 1.00 0.00 O ATOM 82 CB TYR A 7 12.333 -4.688 4.609 1.00 0.00 C ATOM 83 CG TYR A 7 12.196 -4.910 3.102 1.00 0.00 C ATOM 84 CD1 TYR A 7 13.309 -5.271 2.312 1.00 0.00 C ATOM 85 CD2 TYR A 7 10.959 -4.691 2.466 1.00 0.00 C ATOM 86 CE1 TYR A 7 13.157 -5.544 0.940 1.00 0.00 C ATOM 87 CE2 TYR A 7 10.793 -4.964 1.097 1.00 0.00 C ATOM 88 CZ TYR A 7 11.885 -5.431 0.334 1.00 0.00 C ATOM 89 OH TYR A 7 11.727 -5.748 -0.979 1.00 0.00 O ATOM 0 H TYR A 7 13.681 -7.114 4.183 1.00 0.00 H new ATOM 0 HA TYR A 7 12.751 -5.534 6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.406 -4.237 4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 7 13.125 -3.956 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 7 14.287 -5.338 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.127 -4.308 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 7 14.012 -5.840 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.831 -4.817 0.629 1.00 0.00 H new ATOM 0 HH TYR A 7 10.791 -5.616 -1.237 1.00 0.00 H new ATOM 99 N PRO A 8 10.467 -6.754 6.406 1.00 0.00 N ATOM 100 CA PRO A 8 9.350 -7.697 6.528 1.00 0.00 C ATOM 101 C PRO A 8 8.420 -7.719 5.297 1.00 0.00 C ATOM 102 O PRO A 8 7.375 -8.378 5.323 1.00 0.00 O ATOM 103 CB PRO A 8 8.617 -7.264 7.805 1.00 0.00 C ATOM 104 CG PRO A 8 8.877 -5.762 7.880 1.00 0.00 C ATOM 105 CD PRO A 8 10.282 -5.622 7.307 1.00 0.00 C ATOM 0 HA PRO A 8 9.710 -8.724 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.551 -7.483 7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.003 -7.782 8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.147 -5.198 7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.822 -5.395 8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.393 -4.678 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.029 -5.630 8.101 1.00 0.00 H new ATOM 113 N GLY A 9 8.775 -7.031 4.209 1.00 0.00 N ATOM 114 CA GLY A 9 7.977 -6.954 2.997 1.00 0.00 C ATOM 115 C GLY A 9 6.812 -5.989 3.216 1.00 0.00 C ATOM 116 O GLY A 9 6.604 -5.494 4.333 1.00 0.00 O ATOM 0 H GLY A 9 9.646 -6.503 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.593 -6.615 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.600 -7.942 2.733 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO C 11 -5.937 -8.056 6.124 1.00 0.00 N ATOM 122 CA PRO C 11 -7.200 -7.517 5.628 1.00 0.00 C ATOM 123 C PRO C 11 -7.056 -6.029 5.306 1.00 0.00 C ATOM 124 O PRO C 11 -6.163 -5.361 5.835 1.00 0.00 O ATOM 125 CB PRO C 11 -8.181 -7.713 6.785 1.00 0.00 C ATOM 126 CG PRO C 11 -7.295 -7.510 8.010 1.00 0.00 C ATOM 127 CD PRO C 11 -5.971 -8.144 7.580 1.00 0.00 C ATOM 0 HA PRO C 11 -7.529 -8.009 4.712 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -8.997 -6.991 6.751 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -8.632 -8.705 6.771 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.177 -6.454 8.254 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.708 -7.997 8.893 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.125 -7.618 8.022 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -5.910 -9.181 7.910 1.00 0.00 H new ATOM 135 N VAL C 12 -8.003 -5.461 4.551 1.00 0.00 N ATOM 136 CA VAL C 12 -7.939 -4.042 4.214 1.00 0.00 C ATOM 137 C VAL C 12 -8.073 -3.177 5.475 1.00 0.00 C ATOM 138 O VAL C 12 -7.496 -2.097 5.527 1.00 0.00 O ATOM 139 CB VAL C 12 -8.946 -3.678 3.105 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.385 -3.567 3.617 1.00 0.00 C ATOM 141 CG2 VAL C 12 -8.549 -2.378 2.391 1.00 0.00 C ATOM 0 H VAL C 12 -8.809 -5.956 4.169 1.00 0.00 H new ATOM 0 HA VAL C 12 -6.956 -3.826 3.797 1.00 0.00 H new ATOM 0 HB VAL C 12 -8.912 -4.503 2.394 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.046 -3.309 2.790 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.694 -4.521 4.044 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -10.440 -2.792 4.382 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -9.280 -2.151 1.615 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -8.519 -1.561 3.112 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -7.565 -2.498 1.938 1.00 0.00 H new ATOM 151 N GLU C 13 -8.738 -3.671 6.528 1.00 0.00 N ATOM 152 CA GLU C 13 -8.911 -2.925 7.770 1.00 0.00 C ATOM 153 C GLU C 13 -7.557 -2.582 8.404 1.00 0.00 C ATOM 154 O GLU C 13 -7.412 -1.514 9.005 1.00 0.00 O ATOM 155 CB GLU C 13 -9.847 -3.699 8.701 1.00 0.00 C ATOM 156 CG GLU C 13 -10.134 -2.938 10.005 1.00 0.00 C ATOM 157 CD GLU C 13 -11.605 -2.983 10.428 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.231 -4.062 10.333 1.00 0.00 O ATOM 159 OE2 GLU C 13 -12.199 -1.883 10.567 1.00 0.00 O ATOM 0 H GLU C 13 -9.168 -4.596 6.538 1.00 0.00 H new ATOM 0 HA GLU C 13 -9.383 -1.964 7.564 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -10.786 -3.898 8.185 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -9.403 -4.666 8.938 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -9.522 -3.357 10.803 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -9.831 -1.898 9.884 1.00 0.00 H new ATOM 166 N ASP C 14 -6.586 -3.490 8.294 1.00 0.00 N ATOM 167 CA ASP C 14 -5.235 -3.298 8.810 1.00 0.00 C ATOM 168 C ASP C 14 -4.408 -2.572 7.753 1.00 0.00 C ATOM 169 O ASP C 14 -3.677 -1.630 8.063 1.00 0.00 O ATOM 170 CB ASP C 14 -4.589 -4.642 9.134 1.00 0.00 C ATOM 171 CG ASP C 14 -3.206 -4.398 9.726 1.00 0.00 C ATOM 172 OD1 ASP C 14 -3.145 -4.026 10.916 1.00 0.00 O ATOM 173 OD2 ASP C 14 -2.191 -4.704 9.066 1.00 0.00 O ATOM 0 H ASP C 14 -6.721 -4.392 7.837 1.00 0.00 H new ATOM 0 HA ASP C 14 -5.278 -2.709 9.726 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.208 -5.197 9.839 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.511 -5.249 8.232 1.00 0.00 H new ATOM 178 N LEU C 15 -4.628 -2.936 6.481 1.00 0.00 N ATOM 179 CA LEU C 15 -3.957 -2.357 5.328 1.00 0.00 C ATOM 180 C LEU C 15 -4.178 -0.845 5.263 1.00 0.00 C ATOM 181 O LEU C 15 -3.294 -0.150 4.784 1.00 0.00 O ATOM 182 CB LEU C 15 -4.390 -3.067 4.042 1.00 0.00 C ATOM 183 CG LEU C 15 -3.361 -2.944 2.910 1.00 0.00 C ATOM 184 CD1 LEU C 15 -2.066 -3.726 3.163 1.00 0.00 C ATOM 185 CD2 LEU C 15 -3.968 -3.492 1.617 1.00 0.00 C ATOM 0 H LEU C 15 -5.298 -3.662 6.229 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.883 -2.510 5.436 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -4.561 -4.122 4.256 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -5.341 -2.652 3.707 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.112 -1.885 2.846 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -1.389 -3.590 2.320 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -1.591 -3.359 4.073 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -2.297 -4.785 3.276 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -3.241 -3.407 0.809 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -4.235 -4.540 1.756 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -4.861 -2.920 1.363 1.00 0.00 H new ATOM 197 N ILE C 16 -5.281 -0.323 5.805 1.00 0.00 N ATOM 198 CA ILE C 16 -5.620 1.098 5.856 1.00 0.00 C ATOM 199 C ILE C 16 -4.549 1.834 6.663 1.00 0.00 C ATOM 200 O ILE C 16 -4.079 2.897 6.246 1.00 0.00 O ATOM 201 CB ILE C 16 -7.034 1.236 6.481 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.071 1.047 5.357 1.00 0.00 C ATOM 203 CG2 ILE C 16 -7.292 2.545 7.259 1.00 0.00 C ATOM 204 CD1 ILE C 16 -9.466 0.699 5.876 1.00 0.00 C ATOM 0 H ILE C 16 -5.994 -0.908 6.240 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.643 1.544 4.862 1.00 0.00 H new ATOM 0 HB ILE C 16 -7.120 0.463 7.245 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.128 1.962 4.767 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -7.732 0.256 4.688 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -8.308 2.539 7.654 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -6.583 2.624 8.083 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.167 3.396 6.590 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.148 0.579 5.034 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -9.422 -0.231 6.442 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -9.824 1.500 6.522 1.00 0.00 H new ATOM 216 N ARG C 17 -4.252 1.321 7.862 1.00 0.00 N ATOM 217 CA ARG C 17 -3.271 1.890 8.775 1.00 0.00 C ATOM 218 C ARG C 17 -1.872 1.675 8.212 1.00 0.00 C ATOM 219 O ARG C 17 -1.059 2.602 8.173 1.00 0.00 O ATOM 220 CB ARG C 17 -3.433 1.231 10.160 1.00 0.00 C ATOM 221 CG ARG C 17 -3.006 2.169 11.298 1.00 0.00 C ATOM 222 CD ARG C 17 -4.171 3.054 11.747 1.00 0.00 C ATOM 223 NE ARG C 17 -3.741 4.018 12.769 1.00 0.00 N ATOM 224 CZ ARG C 17 -4.451 4.413 13.830 1.00 0.00 C ATOM 225 NH1 ARG C 17 -5.752 4.143 13.936 1.00 0.00 N ATOM 226 NH2 ARG C 17 -3.825 5.118 14.763 1.00 0.00 N ATOM 0 H ARG C 17 -4.700 0.480 8.227 1.00 0.00 H new ATOM 0 HA ARG C 17 -3.427 2.963 8.885 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -4.473 0.939 10.303 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -2.837 0.319 10.199 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -2.645 1.581 12.142 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -2.177 2.794 10.967 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -4.578 3.588 10.888 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -4.972 2.431 12.145 1.00 0.00 H new ATOM 0 HE ARG C 17 -2.812 4.424 12.658 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -6.227 3.624 13.197 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -6.273 4.455 14.756 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -2.835 5.341 14.656 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -4.333 5.437 15.588 1.00 0.00 H new ATOM 240 N PHE C 18 -1.601 0.456 7.748 1.00 0.00 N ATOM 241 CA PHE C 18 -0.326 0.065 7.170 1.00 0.00 C ATOM 242 C PHE C 18 0.027 0.967 5.989 1.00 0.00 C ATOM 243 O PHE C 18 1.141 1.474 5.942 1.00 0.00 O ATOM 244 CB PHE C 18 -0.395 -1.418 6.777 1.00 0.00 C ATOM 245 CG PHE C 18 0.616 -1.871 5.745 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.341 -1.677 4.377 1.00 0.00 C ATOM 247 CD2 PHE C 18 1.818 -2.490 6.137 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.270 -2.072 3.405 1.00 0.00 C ATOM 249 CE2 PHE C 18 2.756 -2.874 5.164 1.00 0.00 C ATOM 250 CZ PHE C 18 2.483 -2.650 3.803 1.00 0.00 C ATOM 0 H PHE C 18 -2.282 -0.303 7.766 1.00 0.00 H new ATOM 0 HA PHE C 18 0.474 0.188 7.901 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -0.263 -2.020 7.676 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -1.395 -1.628 6.396 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -0.591 -1.221 4.076 1.00 0.00 H new ATOM 0 HD2 PHE C 18 2.019 -2.669 7.183 1.00 0.00 H new ATOM 0 HE1 PHE C 18 1.053 -1.932 2.356 1.00 0.00 H new ATOM 0 HE2 PHE C 18 3.684 -3.340 5.461 1.00 0.00 H new ATOM 0 HZ PHE C 18 3.215 -2.926 3.058 1.00 0.00 H new ATOM 260 N TYR C 19 -0.918 1.217 5.081 1.00 0.00 N ATOM 261 CA TYR C 19 -0.772 2.040 3.886 1.00 0.00 C ATOM 262 C TYR C 19 -0.304 3.448 4.238 1.00 0.00 C ATOM 263 O TYR C 19 0.562 4.010 3.576 1.00 0.00 O ATOM 264 CB TYR C 19 -2.130 2.087 3.163 1.00 0.00 C ATOM 265 CG TYR C 19 -2.199 3.062 2.011 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.659 2.689 0.773 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.791 4.329 2.179 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.664 3.613 -0.292 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.798 5.255 1.119 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.210 4.906 -0.120 1.00 0.00 C ATOM 271 OH TYR C 19 -2.183 5.791 -1.156 1.00 0.00 O ATOM 0 H TYR C 19 -1.857 0.828 5.168 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.015 1.603 3.235 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.363 1.089 2.791 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -2.903 2.346 3.887 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.242 1.702 0.636 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.241 4.591 3.125 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.247 3.331 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -3.250 6.227 1.251 1.00 0.00 H new ATOM 0 HH TYR C 19 -2.598 6.634 -0.877 1.00 0.00 H new ATOM 281 N ASN C 20 -0.882 4.021 5.287 1.00 0.00 N ATOM 282 CA ASN C 20 -0.547 5.360 5.732 1.00 0.00 C ATOM 283 C ASN C 20 0.885 5.420 6.249 1.00 0.00 C ATOM 284 O ASN C 20 1.639 6.296 5.831 1.00 0.00 O ATOM 285 CB ASN C 20 -1.558 5.749 6.814 1.00 0.00 C ATOM 286 CG ASN C 20 -1.706 7.244 7.031 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.930 8.082 6.573 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.827 7.620 7.607 1.00 0.00 N ATOM 0 H ASN C 20 -1.598 3.565 5.852 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.601 6.066 4.903 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.531 5.335 6.549 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.260 5.286 7.755 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.057 8.611 7.676 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.466 6.920 7.985 1.00 0.00 H new ATOM 295 N ASP C 21 1.280 4.472 7.105 1.00 0.00 N ATOM 296 CA ASP C 21 2.636 4.434 7.668 1.00 0.00 C ATOM 297 C ASP C 21 3.679 3.993 6.633 1.00 0.00 C ATOM 298 O ASP C 21 4.841 4.407 6.694 1.00 0.00 O ATOM 299 CB ASP C 21 2.679 3.538 8.914 1.00 0.00 C ATOM 300 CG ASP C 21 3.602 4.133 9.976 1.00 0.00 C ATOM 301 OD1 ASP C 21 3.084 4.943 10.789 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.733 3.641 10.184 1.00 0.00 O ATOM 0 H ASP C 21 0.676 3.715 7.426 1.00 0.00 H new ATOM 0 HA ASP C 21 2.895 5.450 7.964 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.674 3.424 9.321 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.027 2.542 8.640 1.00 0.00 H new ATOM 307 N LEU C 22 3.238 3.262 5.598 1.00 0.00 N ATOM 308 CA LEU C 22 4.070 2.761 4.510 1.00 0.00 C ATOM 309 C LEU C 22 4.730 3.928 3.775 1.00 0.00 C ATOM 310 O LEU C 22 5.827 3.759 3.254 1.00 0.00 O ATOM 311 CB LEU C 22 3.249 1.861 3.562 1.00 0.00 C ATOM 312 CG LEU C 22 4.000 1.357 2.314 1.00 0.00 C ATOM 313 CD1 LEU C 22 5.212 0.480 2.658 1.00 0.00 C ATOM 314 CD2 LEU C 22 3.059 0.533 1.430 1.00 0.00 C ATOM 0 H LEU C 22 2.258 2.998 5.499 1.00 0.00 H new ATOM 0 HA LEU C 22 4.865 2.140 4.923 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.894 0.998 4.125 1.00 0.00 H new ATOM 0 HB3 LEU C 22 2.368 2.414 3.236 1.00 0.00 H new ATOM 0 HG LEU C 22 4.355 2.247 1.794 1.00 0.00 H new ATOM 0 HD11 LEU C 22 5.699 0.156 1.738 1.00 0.00 H new ATOM 0 HD12 LEU C 22 5.917 1.054 3.260 1.00 0.00 H new ATOM 0 HD13 LEU C 22 4.881 -0.393 3.221 1.00 0.00 H new ATOM 0 HD21 LEU C 22 3.600 0.182 0.551 1.00 0.00 H new ATOM 0 HD22 LEU C 22 2.687 -0.323 1.993 1.00 0.00 H new ATOM 0 HD23 LEU C 22 2.219 1.153 1.116 1.00 0.00 H new ATOM 326 N GLN C 23 4.161 5.135 3.853 1.00 0.00 N ATOM 327 CA GLN C 23 4.686 6.334 3.219 1.00 0.00 C ATOM 328 C GLN C 23 6.152 6.593 3.594 1.00 0.00 C ATOM 329 O GLN C 23 6.903 7.144 2.785 1.00 0.00 O ATOM 330 CB GLN C 23 3.746 7.506 3.543 1.00 0.00 C ATOM 331 CG GLN C 23 3.894 8.163 4.929 1.00 0.00 C ATOM 332 CD GLN C 23 5.039 9.163 5.090 1.00 0.00 C ATOM 333 OE1 GLN C 23 5.615 9.272 6.166 1.00 0.00 O ATOM 334 NE2 GLN C 23 5.272 10.048 4.138 1.00 0.00 N ATOM 0 H GLN C 23 3.300 5.302 4.374 1.00 0.00 H new ATOM 0 HA GLN C 23 4.707 6.204 2.137 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.893 8.277 2.786 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.719 7.153 3.444 1.00 0.00 H new ATOM 0 HG2 GLN C 23 2.960 8.672 5.167 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.024 7.373 5.669 1.00 0.00 H new ATOM 0 HE21 GLN C 23 4.798 9.966 3.239 1.00 0.00 H new ATOM 0 HE22 GLN C 23 5.926 10.813 4.302 1.00 0.00 H new ATOM 343 N GLN C 24 6.554 6.215 4.810 1.00 0.00 N ATOM 344 CA GLN C 24 7.921 6.378 5.294 1.00 0.00 C ATOM 345 C GLN C 24 8.705 5.076 5.091 1.00 0.00 C ATOM 346 O GLN C 24 9.842 5.116 4.632 1.00 0.00 O ATOM 347 CB GLN C 24 7.944 6.828 6.768 1.00 0.00 C ATOM 348 CG GLN C 24 8.869 8.036 7.001 1.00 0.00 C ATOM 349 CD GLN C 24 10.321 7.790 6.579 1.00 0.00 C ATOM 350 OE1 GLN C 24 11.062 7.056 7.236 1.00 0.00 O ATOM 351 NE2 GLN C 24 10.771 8.388 5.488 1.00 0.00 N ATOM 0 H GLN C 24 5.930 5.783 5.491 1.00 0.00 H new ATOM 0 HA GLN C 24 8.404 7.165 4.715 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.932 7.083 7.082 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.272 5.997 7.393 1.00 0.00 H new ATOM 0 HG2 GLN C 24 8.480 8.892 6.450 1.00 0.00 H new ATOM 0 HG3 GLN C 24 8.847 8.301 8.058 1.00 0.00 H new ATOM 0 HE21 GLN C 24 10.154 8.994 4.948 1.00 0.00 H new ATOM 0 HE22 GLN C 24 11.735 8.243 5.187 1.00 0.00 H new ATOM 360 N TYR C 25 8.112 3.918 5.388 1.00 0.00 N ATOM 361 CA TYR C 25 8.752 2.609 5.241 1.00 0.00 C ATOM 362 C TYR C 25 9.197 2.359 3.795 1.00 0.00 C ATOM 363 O TYR C 25 10.358 2.022 3.554 1.00 0.00 O ATOM 364 CB TYR C 25 7.781 1.539 5.752 1.00 0.00 C ATOM 365 CG TYR C 25 8.063 0.076 5.455 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.370 -0.419 5.264 1.00 0.00 C ATOM 367 CD2 TYR C 25 6.971 -0.813 5.413 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.577 -1.791 5.050 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.175 -2.189 5.234 1.00 0.00 C ATOM 370 CZ TYR C 25 8.485 -2.684 5.079 1.00 0.00 C ATOM 371 OH TYR C 25 8.705 -4.014 4.941 1.00 0.00 O ATOM 0 H TYR C 25 7.158 3.862 5.743 1.00 0.00 H new ATOM 0 HA TYR C 25 9.664 2.571 5.836 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.715 1.647 6.835 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.796 1.771 5.348 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.212 0.258 5.282 1.00 0.00 H new ATOM 0 HD2 TYR C 25 5.966 -0.431 5.520 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.573 -2.163 4.863 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.333 -2.865 5.215 1.00 0.00 H new ATOM 0 HH TYR C 25 7.847 -4.484 4.888 1.00 0.00 H new ATOM 381 N LEU C 26 8.327 2.589 2.810 1.00 0.00 N ATOM 382 CA LEU C 26 8.639 2.389 1.393 1.00 0.00 C ATOM 383 C LEU C 26 9.847 3.244 0.991 1.00 0.00 C ATOM 384 O LEU C 26 10.659 2.856 0.146 1.00 0.00 O ATOM 385 CB LEU C 26 7.408 2.742 0.531 1.00 0.00 C ATOM 386 CG LEU C 26 7.162 1.782 -0.643 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.945 2.258 -1.447 1.00 0.00 C ATOM 388 CD2 LEU C 26 8.372 1.678 -1.571 1.00 0.00 C ATOM 0 H LEU C 26 7.377 2.922 2.975 1.00 0.00 H new ATOM 0 HA LEU C 26 8.892 1.342 1.226 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.524 2.752 1.168 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.531 3.752 0.140 1.00 0.00 H new ATOM 0 HG LEU C 26 6.981 0.792 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.770 1.577 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU C 26 5.067 2.275 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU C 26 6.132 3.261 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU C 26 8.148 0.988 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU C 26 8.601 2.661 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU C 26 9.231 1.311 -1.009 1.00 0.00 H new ATOM 400 N ASN C 27 9.980 4.417 1.617 1.00 0.00 N ATOM 401 CA ASN C 27 11.059 5.368 1.390 1.00 0.00 C ATOM 402 C ASN C 27 12.419 4.729 1.711 1.00 0.00 C ATOM 403 O ASN C 27 13.391 4.989 1.004 1.00 0.00 O ATOM 404 CB ASN C 27 10.802 6.632 2.226 1.00 0.00 C ATOM 405 CG ASN C 27 11.120 7.915 1.483 1.00 0.00 C ATOM 406 OD1 ASN C 27 12.199 8.485 1.629 1.00 0.00 O ATOM 407 ND2 ASN C 27 10.163 8.436 0.733 1.00 0.00 N ATOM 0 H ASN C 27 9.313 4.737 2.319 1.00 0.00 H new ATOM 0 HA ASN C 27 11.086 5.653 0.338 1.00 0.00 H new ATOM 0 HB2 ASN C 27 9.757 6.649 2.536 1.00 0.00 H new ATOM 0 HB3 ASN C 27 11.403 6.587 3.134 1.00 0.00 H new ATOM 0 HD21 ASN C 27 10.313 9.328 0.262 1.00 0.00 H new ATOM 0 HD22 ASN C 27 9.275 7.946 0.626 1.00 0.00 H new ATOM 414 N VAL C 28 12.480 3.851 2.720 1.00 0.00 N ATOM 415 CA VAL C 28 13.678 3.131 3.155 1.00 0.00 C ATOM 416 C VAL C 28 14.055 2.112 2.079 1.00 0.00 C ATOM 417 O VAL C 28 15.185 2.118 1.580 1.00 0.00 O ATOM 418 CB VAL C 28 13.419 2.396 4.501 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.703 1.828 5.120 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.743 3.262 5.568 1.00 0.00 C ATOM 0 H VAL C 28 11.659 3.615 3.278 1.00 0.00 H new ATOM 0 HA VAL C 28 14.490 3.843 3.304 1.00 0.00 H new ATOM 0 HB VAL C 28 12.741 1.591 4.218 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.464 1.326 6.057 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.154 1.114 4.431 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.404 2.640 5.312 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.598 2.675 6.475 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.373 4.124 5.790 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.776 3.605 5.200 1.00 0.00 H new ATOM 430 N VAL C 29 13.098 1.261 1.692 1.00 0.00 N ATOM 431 CA VAL C 29 13.275 0.211 0.694 1.00 0.00 C ATOM 432 C VAL C 29 13.774 0.818 -0.622 1.00 0.00 C ATOM 433 O VAL C 29 14.783 0.378 -1.172 1.00 0.00 O ATOM 434 CB VAL C 29 11.961 -0.586 0.512 1.00 0.00 C ATOM 435 CG1 VAL C 29 12.214 -1.863 -0.297 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.314 -1.011 1.840 1.00 0.00 C ATOM 0 H VAL C 29 12.154 1.288 2.078 1.00 0.00 H new ATOM 0 HA VAL C 29 14.032 -0.494 1.037 1.00 0.00 H new ATOM 0 HB VAL C 29 11.284 0.093 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL C 29 11.279 -2.410 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL C 29 12.607 -1.600 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.937 -2.488 0.227 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.398 -1.565 1.637 1.00 0.00 H new ATOM 0 HG22 VAL C 29 12.006 -1.644 2.395 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.079 -0.125 2.430 1.00 0.00 H new ATOM 446 N THR C 30 13.123 1.882 -1.092 1.00 0.00 N ATOM 447 CA THR C 30 13.492 2.559 -2.332 1.00 0.00 C ATOM 448 C THR C 30 14.663 3.520 -2.175 1.00 0.00 C ATOM 449 O THR C 30 15.043 4.167 -3.152 1.00 0.00 O ATOM 450 CB THR C 30 12.279 3.315 -2.895 1.00 0.00 C ATOM 451 OG1 THR C 30 11.705 4.187 -1.937 1.00 0.00 O ATOM 452 CG2 THR C 30 11.228 2.333 -3.391 1.00 0.00 C ATOM 0 H THR C 30 12.321 2.299 -0.620 1.00 0.00 H new ATOM 0 HA THR C 30 13.815 1.781 -3.023 1.00 0.00 H new ATOM 0 HB THR C 30 12.635 3.922 -3.728 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.146 3.671 -1.319 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.374 2.883 -3.787 1.00 0.00 H new ATOM 0 HG22 THR C 30 11.655 1.710 -4.177 1.00 0.00 H new ATOM 0 HG23 THR C 30 10.901 1.702 -2.565 1.00 0.00 H new ATOM 460 N ARG C 31 15.215 3.662 -0.968 1.00 0.00 N ATOM 461 CA ARG C 31 16.321 4.566 -0.662 1.00 0.00 C ATOM 462 C ARG C 31 16.026 5.971 -1.214 1.00 0.00 C ATOM 463 O ARG C 31 16.900 6.620 -1.798 1.00 0.00 O ATOM 464 CB ARG C 31 17.627 3.926 -1.157 1.00 0.00 C ATOM 465 CG ARG C 31 18.873 4.629 -0.601 1.00 0.00 C ATOM 466 CD ARG C 31 19.990 4.733 -1.640 1.00 0.00 C ATOM 467 NE ARG C 31 21.107 5.530 -1.119 1.00 0.00 N ATOM 468 CZ ARG C 31 21.140 6.864 -1.017 1.00 0.00 C ATOM 469 NH1 ARG C 31 20.090 7.607 -1.355 1.00 0.00 N ATOM 470 NH2 ARG C 31 22.244 7.461 -0.593 1.00 0.00 N ATOM 0 H ARG C 31 14.894 3.136 -0.155 1.00 0.00 H new ATOM 0 HA ARG C 31 16.440 4.713 0.411 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.646 2.876 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.653 3.956 -2.246 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.602 5.628 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG C 31 19.238 4.083 0.269 1.00 0.00 H new ATOM 0 HD2 ARG C 31 20.341 3.736 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.605 5.189 -2.552 1.00 0.00 H new ATOM 0 HE ARG C 31 21.933 5.021 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG C 31 19.240 7.161 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG C 31 20.135 8.622 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG C 31 23.062 6.904 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG C 31 22.276 8.477 -0.513 1.00 0.00 H new ATOM 484 N HIS C 32 14.756 6.395 -1.130 1.00 0.00 N ATOM 485 CA HIS C 32 14.223 7.678 -1.586 1.00 0.00 C ATOM 486 C HIS C 32 14.401 7.937 -3.105 1.00 0.00 C ATOM 487 O HIS C 32 14.141 9.040 -3.588 1.00 0.00 O ATOM 488 CB HIS C 32 14.796 8.766 -0.660 1.00 0.00 C ATOM 489 CG HIS C 32 14.305 10.165 -0.906 1.00 0.00 C ATOM 490 ND1 HIS C 32 15.101 11.235 -1.245 1.00 0.00 N ATOM 491 CD2 HIS C 32 13.014 10.607 -0.822 1.00 0.00 C ATOM 492 CE1 HIS C 32 14.303 12.305 -1.384 1.00 0.00 C ATOM 493 NE2 HIS C 32 13.029 11.976 -1.106 1.00 0.00 N ATOM 0 H HIS C 32 14.031 5.810 -0.714 1.00 0.00 H new ATOM 0 HA HIS C 32 13.136 7.683 -1.502 1.00 0.00 H new ATOM 0 HB2 HIS C 32 14.565 8.497 0.371 1.00 0.00 H new ATOM 0 HB3 HIS C 32 15.882 8.761 -0.755 1.00 0.00 H new ATOM 0 HD2 HIS C 32 12.146 10.011 -0.582 1.00 0.00 H new ATOM 0 HE1 HIS C 32 14.636 13.290 -1.677 1.00 0.00 H new ATOM 0 HE2 HIS C 32 12.226 12.605 -1.103 1.00 0.00 H new ATOM 501 N ARG C 33 14.720 6.918 -3.914 1.00 0.00 N ATOM 502 CA ARG C 33 14.930 7.023 -5.365 1.00 0.00 C ATOM 503 C ARG C 33 13.790 7.727 -6.103 1.00 0.00 C ATOM 504 O ARG C 33 14.041 8.639 -6.889 1.00 0.00 O ATOM 505 CB ARG C 33 15.170 5.615 -5.930 1.00 0.00 C ATOM 506 CG ARG C 33 15.581 5.601 -7.409 1.00 0.00 C ATOM 507 CD ARG C 33 15.659 4.146 -7.873 1.00 0.00 C ATOM 508 NE ARG C 33 16.363 3.980 -9.152 1.00 0.00 N ATOM 509 CZ ARG C 33 16.856 2.823 -9.608 1.00 0.00 C ATOM 510 NH1 ARG C 33 16.697 1.693 -8.926 1.00 0.00 N ATOM 511 NH2 ARG C 33 17.549 2.798 -10.734 1.00 0.00 N ATOM 0 H ARG C 33 14.843 5.967 -3.566 1.00 0.00 H new ATOM 0 HA ARG C 33 15.804 7.653 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG C 33 15.947 5.126 -5.342 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.261 5.026 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG C 33 14.857 6.152 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG C 33 16.545 6.093 -7.540 1.00 0.00 H new ATOM 0 HD2 ARG C 33 16.164 3.555 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG C 33 14.649 3.748 -7.968 1.00 0.00 H new ATOM 0 HE ARG C 33 16.485 4.808 -9.735 1.00 0.00 H new ATOM 0 HH11 ARG C 33 16.192 1.699 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG C 33 17.080 0.820 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG C 33 17.708 3.661 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG C 33 17.925 1.916 -11.082 1.00 0.00 H new ATOM 525 N TYR C 34 12.558 7.323 -5.805 1.00 0.00 N ATOM 526 CA TYR C 34 11.329 7.841 -6.401 1.00 0.00 C ATOM 527 C TYR C 34 11.004 9.289 -6.007 1.00 0.00 C ATOM 528 O TYR C 34 10.109 9.897 -6.593 1.00 0.00 O ATOM 529 CB TYR C 34 10.155 6.888 -6.102 1.00 0.00 C ATOM 530 CG TYR C 34 9.529 6.972 -4.714 1.00 0.00 C ATOM 531 CD1 TYR C 34 10.298 6.760 -3.552 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.147 7.228 -4.585 1.00 0.00 C ATOM 533 CE1 TYR C 34 9.707 6.853 -2.282 1.00 0.00 C ATOM 534 CE2 TYR C 34 7.545 7.293 -3.315 1.00 0.00 C ATOM 535 CZ TYR C 34 8.329 7.128 -2.150 1.00 0.00 C ATOM 536 OH TYR C 34 7.788 7.285 -0.911 1.00 0.00 O ATOM 0 H TYR C 34 12.381 6.595 -5.113 1.00 0.00 H new ATOM 0 HA TYR C 34 11.495 7.878 -7.478 1.00 0.00 H new ATOM 0 HB2 TYR C 34 9.373 7.074 -6.838 1.00 0.00 H new ATOM 0 HB3 TYR C 34 10.501 5.866 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR C 34 11.348 6.525 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR C 34 7.546 7.375 -5.470 1.00 0.00 H new ATOM 0 HE1 TYR C 34 10.312 6.713 -1.398 1.00 0.00 H new ATOM 0 HE2 TYR C 34 6.483 7.469 -3.230 1.00 0.00 H new ATOM 0 HH TYR C 34 6.829 7.470 -0.994 1.00 0.00 H new HETATM 546 N NH2 C 35 11.720 9.902 -5.075 1.00 0.00 N TER 549 NH2 C 35 ATOM 550 N GLY B 1 -19.233 3.246 -9.766 1.00 0.00 N ATOM 551 CA GLY B 1 -18.490 2.097 -9.247 1.00 0.00 C ATOM 552 C GLY B 1 -19.422 0.942 -8.931 1.00 0.00 C ATOM 553 O GLY B 1 -20.599 0.981 -9.307 1.00 0.00 O ATOM 0 H1 GLY B 1 -18.816 3.550 -10.669 1.00 0.00 H new ATOM 0 H2 GLY B 1 -20.227 2.978 -9.916 1.00 0.00 H new ATOM 0 H3 GLY B 1 -19.185 4.028 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -17.747 1.779 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -17.947 2.387 -8.347 1.00 0.00 H new ATOM 557 N PRO B 2 -18.919 -0.069 -8.207 1.00 0.00 N ATOM 558 CA PRO B 2 -19.674 -1.257 -7.847 1.00 0.00 C ATOM 559 C PRO B 2 -20.805 -0.951 -6.880 1.00 0.00 C ATOM 560 O PRO B 2 -20.763 0.026 -6.125 1.00 0.00 O ATOM 561 CB PRO B 2 -18.655 -2.233 -7.250 1.00 0.00 C ATOM 562 CG PRO B 2 -17.597 -1.297 -6.681 1.00 0.00 C ATOM 563 CD PRO B 2 -17.559 -0.175 -7.713 1.00 0.00 C ATOM 0 HA PRO B 2 -20.167 -1.685 -8.719 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -19.099 -2.861 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -18.242 -2.901 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -17.870 -0.929 -5.692 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -16.630 -1.790 -6.582 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -17.228 0.762 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -16.863 -0.405 -8.520 1.00 0.00 H new ATOM 571 N SER B 3 -21.781 -1.848 -6.846 1.00 0.00 N ATOM 572 CA SER B 3 -22.957 -1.768 -5.994 1.00 0.00 C ATOM 573 C SER B 3 -22.813 -2.699 -4.785 1.00 0.00 C ATOM 574 O SER B 3 -23.316 -2.373 -3.705 1.00 0.00 O ATOM 575 CB SER B 3 -24.150 -2.140 -6.879 1.00 0.00 C ATOM 576 OG SER B 3 -25.385 -2.199 -6.195 1.00 0.00 O ATOM 0 H SER B 3 -21.774 -2.682 -7.433 1.00 0.00 H new ATOM 0 HA SER B 3 -23.093 -0.769 -5.580 1.00 0.00 H new ATOM 0 HB2 SER B 3 -24.230 -1.412 -7.686 1.00 0.00 H new ATOM 0 HB3 SER B 3 -23.957 -3.108 -7.341 1.00 0.00 H new ATOM 0 HG SER B 3 -26.096 -2.440 -6.824 1.00 0.00 H new ATOM 582 N GLN B 4 -22.042 -3.779 -4.917 1.00 0.00 N ATOM 583 CA GLN B 4 -21.810 -4.782 -3.885 1.00 0.00 C ATOM 584 C GLN B 4 -20.306 -4.877 -3.569 1.00 0.00 C ATOM 585 O GLN B 4 -19.490 -4.411 -4.370 1.00 0.00 O ATOM 586 CB GLN B 4 -22.374 -6.108 -4.428 1.00 0.00 C ATOM 587 CG GLN B 4 -23.908 -6.125 -4.516 1.00 0.00 C ATOM 588 CD GLN B 4 -24.374 -7.317 -5.343 1.00 0.00 C ATOM 589 OE1 GLN B 4 -24.609 -7.194 -6.545 1.00 0.00 O ATOM 590 NE2 GLN B 4 -24.366 -8.504 -4.768 1.00 0.00 N ATOM 0 H GLN B 4 -21.543 -3.984 -5.783 1.00 0.00 H new ATOM 0 HA GLN B 4 -22.304 -4.525 -2.948 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -21.958 -6.293 -5.418 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -22.045 -6.925 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -24.336 -6.178 -3.515 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -24.264 -5.199 -4.967 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -24.169 -8.586 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -24.557 -9.340 -5.321 1.00 0.00 H new ATOM 599 N PRO B 5 -19.920 -5.464 -2.421 1.00 0.00 N ATOM 600 CA PRO B 5 -18.532 -5.621 -2.019 1.00 0.00 C ATOM 601 C PRO B 5 -17.884 -6.705 -2.884 1.00 0.00 C ATOM 602 O PRO B 5 -18.027 -7.909 -2.626 1.00 0.00 O ATOM 603 CB PRO B 5 -18.564 -5.969 -0.530 1.00 0.00 C ATOM 604 CG PRO B 5 -19.899 -6.686 -0.363 1.00 0.00 C ATOM 605 CD PRO B 5 -20.795 -6.027 -1.408 1.00 0.00 C ATOM 0 HA PRO B 5 -17.932 -4.722 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -17.727 -6.608 -0.249 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -18.507 -5.076 0.093 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -19.803 -7.758 -0.536 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -20.298 -6.561 0.644 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -21.476 -6.756 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -21.410 -5.250 -0.954 1.00 0.00 H new ATOM 613 N THR B 6 -17.161 -6.253 -3.903 1.00 0.00 N ATOM 614 CA THR B 6 -16.463 -7.078 -4.865 1.00 0.00 C ATOM 615 C THR B 6 -15.211 -6.305 -5.269 1.00 0.00 C ATOM 616 O THR B 6 -15.309 -5.293 -5.969 1.00 0.00 O ATOM 617 CB THR B 6 -17.384 -7.322 -6.064 1.00 0.00 C ATOM 618 OG1 THR B 6 -18.643 -7.838 -5.678 1.00 0.00 O ATOM 619 CG2 THR B 6 -16.752 -8.299 -7.041 1.00 0.00 C ATOM 0 H THR B 6 -17.044 -5.256 -4.083 1.00 0.00 H new ATOM 0 HA THR B 6 -16.184 -8.050 -4.459 1.00 0.00 H new ATOM 0 HB THR B 6 -17.530 -6.351 -6.537 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.198 -7.977 -6.474 1.00 0.00 H new ATOM 0 HG21 THR B 6 -17.425 -8.457 -7.884 1.00 0.00 H new ATOM 0 HG22 THR B 6 -15.807 -7.893 -7.402 1.00 0.00 H new ATOM 0 HG23 THR B 6 -16.571 -9.249 -6.539 1.00 0.00 H new ATOM 627 N TYR B 7 -14.045 -6.741 -4.790 1.00 0.00 N ATOM 628 CA TYR B 7 -12.770 -6.093 -5.071 1.00 0.00 C ATOM 629 C TYR B 7 -11.639 -7.118 -5.217 1.00 0.00 C ATOM 630 O TYR B 7 -11.711 -8.192 -4.610 1.00 0.00 O ATOM 631 CB TYR B 7 -12.466 -5.127 -3.915 1.00 0.00 C ATOM 632 CG TYR B 7 -13.484 -4.019 -3.745 1.00 0.00 C ATOM 633 CD1 TYR B 7 -13.581 -3.010 -4.720 1.00 0.00 C ATOM 634 CD2 TYR B 7 -14.377 -4.030 -2.659 1.00 0.00 C ATOM 635 CE1 TYR B 7 -14.569 -2.020 -4.621 1.00 0.00 C ATOM 636 CE2 TYR B 7 -15.374 -3.046 -2.563 1.00 0.00 C ATOM 637 CZ TYR B 7 -15.481 -2.035 -3.543 1.00 0.00 C ATOM 638 OH TYR B 7 -16.457 -1.087 -3.452 1.00 0.00 O ATOM 0 H TYR B 7 -13.962 -7.562 -4.191 1.00 0.00 H new ATOM 0 HA TYR B 7 -12.837 -5.554 -6.016 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -12.407 -5.696 -2.987 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -11.485 -4.681 -4.078 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -12.890 -2.998 -5.550 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -14.296 -4.794 -1.900 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -14.633 -1.245 -5.370 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -16.065 -3.063 -1.733 1.00 0.00 H new ATOM 0 HH TYR B 7 -16.996 -1.248 -2.649 1.00 0.00 H new ATOM 648 N PRO B 8 -10.537 -6.771 -5.902 1.00 0.00 N ATOM 649 CA PRO B 8 -9.394 -7.665 -6.087 1.00 0.00 C ATOM 650 C PRO B 8 -8.571 -7.839 -4.805 1.00 0.00 C ATOM 651 O PRO B 8 -7.931 -8.877 -4.631 1.00 0.00 O ATOM 652 CB PRO B 8 -8.532 -6.986 -7.160 1.00 0.00 C ATOM 653 CG PRO B 8 -8.849 -5.503 -6.962 1.00 0.00 C ATOM 654 CD PRO B 8 -10.340 -5.540 -6.657 1.00 0.00 C ATOM 0 HA PRO B 8 -9.731 -8.663 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -7.472 -7.195 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -8.793 -7.325 -8.163 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -8.275 -5.068 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -8.629 -4.915 -7.853 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.647 -4.668 -6.079 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -10.931 -5.539 -7.573 1.00 0.00 H new ATOM 662 N GLY B 9 -8.719 -6.933 -3.838 1.00 0.00 N ATOM 663 CA GLY B 9 -7.987 -6.949 -2.589 1.00 0.00 C ATOM 664 C GLY B 9 -6.669 -6.207 -2.799 1.00 0.00 C ATOM 665 O GLY B 9 -6.254 -5.957 -3.934 1.00 0.00 O ATOM 0 H GLY B 9 -9.370 -6.151 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -8.570 -6.473 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -7.799 -7.975 -2.271 1.00 0.00 H new TER 669 GLY B 9 ATOM 670 N PRO D 11 6.195 -7.892 -4.951 1.00 0.00 N ATOM 671 CA PRO D 11 7.513 -7.288 -4.856 1.00 0.00 C ATOM 672 C PRO D 11 7.403 -5.773 -4.738 1.00 0.00 C ATOM 673 O PRO D 11 6.483 -5.173 -5.292 1.00 0.00 O ATOM 674 CB PRO D 11 8.248 -7.714 -6.124 1.00 0.00 C ATOM 675 CG PRO D 11 7.139 -7.977 -7.135 1.00 0.00 C ATOM 676 CD PRO D 11 5.993 -8.479 -6.264 1.00 0.00 C ATOM 0 HA PRO D 11 8.053 -7.613 -3.967 1.00 0.00 H new ATOM 0 HB2 PRO D 11 8.926 -6.934 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO D 11 8.850 -8.607 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO D 11 6.866 -7.073 -7.679 1.00 0.00 H new ATOM 0 HG3 PRO D 11 7.437 -8.718 -7.877 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.030 -8.182 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO D 11 5.994 -9.568 -6.208 1.00 0.00 H new ATOM 684 N VAL D 12 8.436 -5.154 -4.169 1.00 0.00 N ATOM 685 CA VAL D 12 8.528 -3.715 -3.957 1.00 0.00 C ATOM 686 C VAL D 12 8.274 -2.919 -5.240 1.00 0.00 C ATOM 687 O VAL D 12 7.531 -1.942 -5.192 1.00 0.00 O ATOM 688 CB VAL D 12 9.867 -3.358 -3.259 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.090 -4.083 -3.844 1.00 0.00 C ATOM 690 CG2 VAL D 12 10.158 -1.848 -3.288 1.00 0.00 C ATOM 0 H VAL D 12 9.257 -5.658 -3.833 1.00 0.00 H new ATOM 0 HA VAL D 12 7.726 -3.415 -3.282 1.00 0.00 H new ATOM 0 HB VAL D 12 9.720 -3.696 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL D 12 11.986 -3.780 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL D 12 10.955 -5.160 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL D 12 11.197 -3.823 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL D 12 11.106 -1.650 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL D 12 10.217 -1.509 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL D 12 9.358 -1.313 -2.775 1.00 0.00 H new ATOM 700 N GLU D 13 8.869 -3.309 -6.369 1.00 0.00 N ATOM 701 CA GLU D 13 8.718 -2.615 -7.644 1.00 0.00 C ATOM 702 C GLU D 13 7.265 -2.559 -8.121 1.00 0.00 C ATOM 703 O GLU D 13 6.833 -1.541 -8.667 1.00 0.00 O ATOM 704 CB GLU D 13 9.649 -3.283 -8.656 1.00 0.00 C ATOM 705 CG GLU D 13 9.501 -2.715 -10.067 1.00 0.00 C ATOM 706 CD GLU D 13 10.787 -2.919 -10.853 1.00 0.00 C ATOM 707 OE1 GLU D 13 11.039 -4.019 -11.395 1.00 0.00 O ATOM 708 OE2 GLU D 13 11.571 -1.946 -10.929 1.00 0.00 O ATOM 0 H GLU D 13 9.477 -4.127 -6.421 1.00 0.00 H new ATOM 0 HA GLU D 13 9.001 -1.569 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU D 13 10.681 -3.162 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.445 -4.354 -8.678 1.00 0.00 H new ATOM 0 HG2 GLU D 13 8.672 -3.204 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU D 13 9.262 -1.653 -10.016 1.00 0.00 H new ATOM 715 N ASP D 14 6.556 -3.678 -8.012 1.00 0.00 N ATOM 716 CA ASP D 14 5.151 -3.804 -8.397 1.00 0.00 C ATOM 717 C ASP D 14 4.329 -2.979 -7.412 1.00 0.00 C ATOM 718 O ASP D 14 3.559 -2.098 -7.792 1.00 0.00 O ATOM 719 CB ASP D 14 4.777 -5.293 -8.339 1.00 0.00 C ATOM 720 CG ASP D 14 3.353 -5.649 -8.754 1.00 0.00 C ATOM 721 OD1 ASP D 14 2.393 -4.940 -8.392 1.00 0.00 O ATOM 722 OD2 ASP D 14 3.173 -6.800 -9.223 1.00 0.00 O ATOM 0 H ASP D 14 6.950 -4.544 -7.645 1.00 0.00 H new ATOM 0 HA ASP D 14 4.961 -3.439 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.467 -5.844 -8.978 1.00 0.00 H new ATOM 0 HB3 ASP D 14 4.935 -5.646 -7.320 1.00 0.00 H new ATOM 727 N LEU D 15 4.633 -3.167 -6.126 1.00 0.00 N ATOM 728 CA LEU D 15 3.990 -2.504 -5.016 1.00 0.00 C ATOM 729 C LEU D 15 4.160 -0.984 -5.059 1.00 0.00 C ATOM 730 O LEU D 15 3.316 -0.320 -4.481 1.00 0.00 O ATOM 731 CB LEU D 15 4.431 -3.179 -3.704 1.00 0.00 C ATOM 732 CG LEU D 15 3.576 -2.819 -2.475 1.00 0.00 C ATOM 733 CD1 LEU D 15 2.174 -3.407 -2.592 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.180 -3.431 -1.209 1.00 0.00 C ATOM 0 H LEU D 15 5.364 -3.813 -5.830 1.00 0.00 H new ATOM 0 HA LEU D 15 2.909 -2.627 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU D 15 4.407 -4.260 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.467 -2.906 -3.501 1.00 0.00 H new ATOM 0 HG LEU D 15 3.543 -1.731 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU D 15 1.592 -3.137 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU D 15 1.687 -3.012 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU D 15 2.240 -4.493 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU D 15 3.565 -3.168 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU D 15 4.217 -4.516 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.189 -3.046 -1.065 1.00 0.00 H new ATOM 746 N ILE D 16 5.182 -0.401 -5.701 1.00 0.00 N ATOM 747 CA ILE D 16 5.327 1.062 -5.778 1.00 0.00 C ATOM 748 C ILE D 16 4.239 1.582 -6.717 1.00 0.00 C ATOM 749 O ILE D 16 3.594 2.583 -6.409 1.00 0.00 O ATOM 750 CB ILE D 16 6.732 1.493 -6.275 1.00 0.00 C ATOM 751 CG1 ILE D 16 7.776 1.276 -5.166 1.00 0.00 C ATOM 752 CG2 ILE D 16 6.792 2.978 -6.700 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.188 1.025 -5.701 1.00 0.00 C ATOM 0 H ILE D 16 5.922 -0.919 -6.175 1.00 0.00 H new ATOM 0 HA ILE D 16 5.219 1.487 -4.780 1.00 0.00 H new ATOM 0 HB ILE D 16 6.946 0.876 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE D 16 7.792 2.151 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE D 16 7.472 0.428 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE D 16 7.800 3.219 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE D 16 6.086 3.153 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE D 16 6.533 3.610 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE D 16 9.873 0.880 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.186 0.133 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE D 16 9.511 1.883 -6.291 1.00 0.00 H new ATOM 765 N ARG D 17 4.131 0.978 -7.905 1.00 0.00 N ATOM 766 CA ARG D 17 3.150 1.357 -8.915 1.00 0.00 C ATOM 767 C ARG D 17 1.764 1.221 -8.301 1.00 0.00 C ATOM 768 O ARG D 17 1.035 2.205 -8.185 1.00 0.00 O ATOM 769 CB ARG D 17 3.350 0.486 -10.176 1.00 0.00 C ATOM 770 CG ARG D 17 3.087 1.245 -11.478 1.00 0.00 C ATOM 771 CD ARG D 17 4.219 2.245 -11.747 1.00 0.00 C ATOM 772 NE ARG D 17 3.878 3.155 -12.844 1.00 0.00 N ATOM 773 CZ ARG D 17 4.515 3.300 -14.009 1.00 0.00 C ATOM 774 NH1 ARG D 17 5.479 2.460 -14.370 1.00 0.00 N ATOM 775 NH2 ARG D 17 4.197 4.307 -14.812 1.00 0.00 N ATOM 0 H ARG D 17 4.731 0.204 -8.191 1.00 0.00 H new ATOM 0 HA ARG D 17 3.273 2.392 -9.233 1.00 0.00 H new ATOM 0 HB2 ARG D 17 4.370 0.101 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG D 17 2.685 -0.376 -10.124 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.008 0.542 -12.307 1.00 0.00 H new ATOM 0 HG3 ARG D 17 2.135 1.771 -11.415 1.00 0.00 H new ATOM 0 HD2 ARG D 17 4.420 2.821 -10.844 1.00 0.00 H new ATOM 0 HD3 ARG D 17 5.134 1.705 -11.991 1.00 0.00 H new ATOM 0 HE ARG D 17 3.059 3.746 -12.701 1.00 0.00 H new ATOM 0 HH11 ARG D 17 5.742 1.691 -13.754 1.00 0.00 H new ATOM 0 HH12 ARG D 17 5.956 2.584 -15.263 1.00 0.00 H new ATOM 0 HH21 ARG D 17 3.469 4.967 -14.539 1.00 0.00 H new ATOM 0 HH22 ARG D 17 4.681 4.422 -15.703 1.00 0.00 H new ATOM 789 N PHE D 18 1.504 0.046 -7.727 1.00 0.00 N ATOM 790 CA PHE D 18 0.252 -0.262 -7.068 1.00 0.00 C ATOM 791 C PHE D 18 -0.015 0.749 -5.949 1.00 0.00 C ATOM 792 O PHE D 18 -1.102 1.294 -5.906 1.00 0.00 O ATOM 793 CB PHE D 18 0.296 -1.712 -6.556 1.00 0.00 C ATOM 794 CG PHE D 18 -0.650 -2.036 -5.413 1.00 0.00 C ATOM 795 CD1 PHE D 18 -0.282 -1.692 -4.099 1.00 0.00 C ATOM 796 CD2 PHE D 18 -1.876 -2.688 -5.641 1.00 0.00 C ATOM 797 CE1 PHE D 18 -1.118 -1.997 -3.021 1.00 0.00 C ATOM 798 CE2 PHE D 18 -2.724 -2.980 -4.556 1.00 0.00 C ATOM 799 CZ PHE D 18 -2.344 -2.637 -3.247 1.00 0.00 C ATOM 0 H PHE D 18 2.173 -0.724 -7.711 1.00 0.00 H new ATOM 0 HA PHE D 18 -0.578 -0.182 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE D 18 0.072 -2.379 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE D 18 1.314 -1.934 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE D 18 0.656 -1.187 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -2.165 -2.963 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.819 -1.740 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -3.671 -3.470 -4.730 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.996 -2.866 -2.417 1.00 0.00 H new ATOM 809 N TYR D 19 0.951 1.062 -5.080 1.00 0.00 N ATOM 810 CA TYR D 19 0.797 1.996 -3.961 1.00 0.00 C ATOM 811 C TYR D 19 0.382 3.395 -4.419 1.00 0.00 C ATOM 812 O TYR D 19 -0.405 4.070 -3.750 1.00 0.00 O ATOM 813 CB TYR D 19 2.114 2.030 -3.166 1.00 0.00 C ATOM 814 CG TYR D 19 2.202 3.054 -2.058 1.00 0.00 C ATOM 815 CD1 TYR D 19 1.552 2.814 -0.837 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.955 4.227 -2.238 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.604 3.778 0.187 1.00 0.00 C ATOM 818 CE2 TYR D 19 3.018 5.190 -1.217 1.00 0.00 C ATOM 819 CZ TYR D 19 2.317 4.980 -0.010 1.00 0.00 C ATOM 820 OH TYR D 19 2.310 5.945 0.947 1.00 0.00 O ATOM 0 H TYR D 19 1.887 0.662 -5.137 1.00 0.00 H new ATOM 0 HA TYR D 19 -0.012 1.645 -3.320 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.278 1.043 -2.733 1.00 0.00 H new ATOM 0 HB3 TYR D 19 2.931 2.211 -3.865 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.013 1.891 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.487 4.389 -3.164 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.098 3.598 1.124 1.00 0.00 H new ATOM 0 HE2 TYR D 19 3.601 6.088 -1.355 1.00 0.00 H new ATOM 0 HH TYR D 19 2.852 6.705 0.649 1.00 0.00 H new ATOM 830 N ASN D 20 0.897 3.831 -5.565 1.00 0.00 N ATOM 831 CA ASN D 20 0.601 5.138 -6.122 1.00 0.00 C ATOM 832 C ASN D 20 -0.803 5.198 -6.713 1.00 0.00 C ATOM 833 O ASN D 20 -1.502 6.191 -6.515 1.00 0.00 O ATOM 834 CB ASN D 20 1.657 5.451 -7.185 1.00 0.00 C ATOM 835 CG ASN D 20 1.758 6.938 -7.454 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.470 7.409 -8.551 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.386 7.660 -6.547 1.00 0.00 N ATOM 0 H ASN D 20 1.537 3.278 -6.135 1.00 0.00 H new ATOM 0 HA ASN D 20 0.632 5.884 -5.328 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.626 5.074 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.408 4.930 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.641 8.626 -6.751 1.00 0.00 H new ATOM 0 HD22 ASN D 20 2.617 7.252 -5.641 1.00 0.00 H new ATOM 844 N ASP D 21 -1.246 4.135 -7.384 1.00 0.00 N ATOM 845 CA ASP D 21 -2.568 4.034 -8.017 1.00 0.00 C ATOM 846 C ASP D 21 -3.662 3.625 -7.019 1.00 0.00 C ATOM 847 O ASP D 21 -4.830 4.011 -7.150 1.00 0.00 O ATOM 848 CB ASP D 21 -2.488 3.025 -9.166 1.00 0.00 C ATOM 849 CG ASP D 21 -1.866 3.658 -10.404 1.00 0.00 C ATOM 850 OD1 ASP D 21 -2.608 4.291 -11.193 1.00 0.00 O ATOM 851 OD2 ASP D 21 -0.698 3.360 -10.720 1.00 0.00 O ATOM 0 H ASP D 21 -0.682 3.294 -7.508 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.844 5.018 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.897 2.163 -8.858 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -3.487 2.658 -9.403 1.00 0.00 H new ATOM 856 N LEU D 22 -3.268 2.942 -5.944 1.00 0.00 N ATOM 857 CA LEU D 22 -4.100 2.453 -4.849 1.00 0.00 C ATOM 858 C LEU D 22 -4.749 3.618 -4.115 1.00 0.00 C ATOM 859 O LEU D 22 -5.837 3.453 -3.571 1.00 0.00 O ATOM 860 CB LEU D 22 -3.220 1.645 -3.876 1.00 0.00 C ATOM 861 CG LEU D 22 -3.766 1.428 -2.456 1.00 0.00 C ATOM 862 CD1 LEU D 22 -5.027 0.565 -2.409 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.708 0.721 -1.618 1.00 0.00 C ATOM 0 H LEU D 22 -2.287 2.699 -5.808 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.889 1.817 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -3.034 0.667 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -2.256 2.147 -3.795 1.00 0.00 H new ATOM 0 HG LEU D 22 -4.017 2.417 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -5.354 0.455 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -5.816 1.042 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -4.811 -0.418 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -3.089 0.564 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -2.469 -0.242 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.808 1.335 -1.575 1.00 0.00 H new ATOM 875 N GLN D 23 -4.153 4.809 -4.178 1.00 0.00 N ATOM 876 CA GLN D 23 -4.646 6.010 -3.523 1.00 0.00 C ATOM 877 C GLN D 23 -6.130 6.285 -3.803 1.00 0.00 C ATOM 878 O GLN D 23 -6.815 6.856 -2.955 1.00 0.00 O ATOM 879 CB GLN D 23 -3.709 7.173 -3.872 1.00 0.00 C ATOM 880 CG GLN D 23 -3.852 7.813 -5.262 1.00 0.00 C ATOM 881 CD GLN D 23 -4.991 8.820 -5.445 1.00 0.00 C ATOM 882 OE1 GLN D 23 -5.548 8.925 -6.536 1.00 0.00 O ATOM 883 NE2 GLN D 23 -5.279 9.668 -4.466 1.00 0.00 N ATOM 0 H GLN D 23 -3.291 4.964 -4.701 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.625 5.870 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.853 7.955 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.683 6.820 -3.769 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -2.914 8.313 -5.504 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -3.984 7.014 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -4.816 9.579 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -5.964 10.409 -4.618 1.00 0.00 H new ATOM 892 N GLN D 24 -6.611 5.877 -4.979 1.00 0.00 N ATOM 893 CA GLN D 24 -8.000 6.026 -5.409 1.00 0.00 C ATOM 894 C GLN D 24 -8.789 4.739 -5.115 1.00 0.00 C ATOM 895 O GLN D 24 -9.881 4.803 -4.557 1.00 0.00 O ATOM 896 CB GLN D 24 -8.040 6.380 -6.905 1.00 0.00 C ATOM 897 CG GLN D 24 -9.124 7.402 -7.272 1.00 0.00 C ATOM 898 CD GLN D 24 -10.553 6.874 -7.147 1.00 0.00 C ATOM 899 OE1 GLN D 24 -10.892 5.846 -7.725 1.00 0.00 O ATOM 900 NE2 GLN D 24 -11.429 7.620 -6.495 1.00 0.00 N ATOM 0 H GLN D 24 -6.026 5.420 -5.678 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.470 6.836 -4.852 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.068 6.774 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.204 5.469 -7.480 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -9.015 8.277 -6.631 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -8.961 7.736 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -11.123 8.470 -6.022 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -12.411 7.345 -6.465 1.00 0.00 H new ATOM 909 N TYR D 25 -8.225 3.564 -5.416 1.00 0.00 N ATOM 910 CA TYR D 25 -8.873 2.272 -5.181 1.00 0.00 C ATOM 911 C TYR D 25 -9.248 2.095 -3.701 1.00 0.00 C ATOM 912 O TYR D 25 -10.394 1.755 -3.405 1.00 0.00 O ATOM 913 CB TYR D 25 -7.973 1.141 -5.714 1.00 0.00 C ATOM 914 CG TYR D 25 -8.288 -0.258 -5.208 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.546 -0.845 -5.432 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.309 -0.980 -4.502 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.831 -2.120 -4.908 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.591 -2.237 -3.948 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.866 -2.806 -4.135 1.00 0.00 C ATOM 920 OH TYR D 25 -9.180 -3.975 -3.513 1.00 0.00 O ATOM 0 H TYR D 25 -7.298 3.484 -5.833 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.814 2.232 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -8.037 1.135 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.940 1.374 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.293 -0.318 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.322 -0.558 -4.384 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.791 -2.576 -5.097 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.837 -2.764 -3.383 1.00 0.00 H new ATOM 0 HH TYR D 25 -8.906 -3.929 -2.573 1.00 0.00 H new ATOM 930 N LEU D 26 -8.341 2.399 -2.763 1.00 0.00 N ATOM 931 CA LEU D 26 -8.581 2.279 -1.318 1.00 0.00 C ATOM 932 C LEU D 26 -9.791 3.126 -0.910 1.00 0.00 C ATOM 933 O LEU D 26 -10.591 2.738 -0.054 1.00 0.00 O ATOM 934 CB LEU D 26 -7.334 2.735 -0.526 1.00 0.00 C ATOM 935 CG LEU D 26 -7.015 1.873 0.710 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.782 2.437 1.427 1.00 0.00 C ATOM 937 CD2 LEU D 26 -8.163 1.758 1.712 1.00 0.00 C ATOM 0 H LEU D 26 -7.407 2.740 -2.989 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.784 1.233 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.472 2.726 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.479 3.767 -0.207 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.833 0.867 0.331 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.558 1.826 2.301 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.929 2.425 0.748 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.981 3.461 1.742 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.853 1.134 2.550 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -8.429 2.750 2.077 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -9.027 1.307 1.225 1.00 0.00 H new ATOM 949 N ASN D 27 -9.923 4.292 -1.543 1.00 0.00 N ATOM 950 CA ASN D 27 -10.993 5.251 -1.328 1.00 0.00 C ATOM 951 C ASN D 27 -12.341 4.570 -1.568 1.00 0.00 C ATOM 952 O ASN D 27 -13.231 4.604 -0.717 1.00 0.00 O ATOM 953 CB ASN D 27 -10.773 6.456 -2.252 1.00 0.00 C ATOM 954 CG ASN D 27 -11.165 7.747 -1.576 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.274 8.721 -1.575 1.00 0.00 O flip ATOM 956 ND2 ASN D 27 -12.262 7.872 -1.048 1.00 0.00 N flip ATOM 0 H ASN D 27 -9.255 4.602 -2.249 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.991 5.614 -0.300 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.725 6.502 -2.549 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.357 6.329 -3.164 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -12.928 7.100 -1.067 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -12.510 8.749 -0.589 1.00 0.00 H new ATOM 963 N VAL D 28 -12.461 3.841 -2.679 1.00 0.00 N ATOM 964 CA VAL D 28 -13.672 3.113 -3.042 1.00 0.00 C ATOM 965 C VAL D 28 -13.883 1.937 -2.078 1.00 0.00 C ATOM 966 O VAL D 28 -14.994 1.731 -1.580 1.00 0.00 O ATOM 967 CB VAL D 28 -13.579 2.642 -4.507 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.829 1.836 -4.886 1.00 0.00 C ATOM 969 CG2 VAL D 28 -13.419 3.831 -5.469 1.00 0.00 C ATOM 0 H VAL D 28 -11.708 3.740 -3.359 1.00 0.00 H new ATOM 0 HA VAL D 28 -14.537 3.771 -2.958 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.697 2.008 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.751 1.509 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.911 0.965 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.714 2.461 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -13.356 3.464 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -14.278 4.495 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -12.509 4.378 -5.223 1.00 0.00 H new ATOM 979 N VAL D 29 -12.828 1.189 -1.741 1.00 0.00 N ATOM 980 CA VAL D 29 -12.924 0.048 -0.827 1.00 0.00 C ATOM 981 C VAL D 29 -13.424 0.487 0.558 1.00 0.00 C ATOM 982 O VAL D 29 -14.109 -0.284 1.230 1.00 0.00 O ATOM 983 CB VAL D 29 -11.573 -0.693 -0.749 1.00 0.00 C ATOM 984 CG1 VAL D 29 -11.634 -1.918 0.169 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.152 -1.235 -2.115 1.00 0.00 C ATOM 0 H VAL D 29 -11.886 1.357 -2.093 1.00 0.00 H new ATOM 0 HA VAL D 29 -13.662 -0.652 -1.220 1.00 0.00 H new ATOM 0 HB VAL D 29 -10.869 0.048 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -10.659 -2.405 0.191 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -11.905 -1.604 1.177 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -12.381 -2.617 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.196 -1.751 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -11.907 -1.932 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.052 -0.409 -2.819 1.00 0.00 H new ATOM 995 N THR D 30 -13.274 1.757 0.924 1.00 0.00 N ATOM 996 CA THR D 30 -13.710 2.294 2.210 1.00 0.00 C ATOM 997 C THR D 30 -14.901 3.247 2.067 1.00 0.00 C ATOM 998 O THR D 30 -15.355 3.817 3.061 1.00 0.00 O ATOM 999 CB THR D 30 -12.500 2.939 2.898 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.909 3.904 2.052 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.442 1.886 3.235 1.00 0.00 C ATOM 0 H THR D 30 -12.837 2.456 0.323 1.00 0.00 H new ATOM 0 HA THR D 30 -14.081 1.486 2.840 1.00 0.00 H new ATOM 0 HB THR D 30 -12.856 3.410 3.814 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.343 3.456 1.390 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.593 2.366 3.722 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.871 1.141 3.905 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.107 1.400 2.318 1.00 0.00 H new ATOM 1009 N ARG D 31 -15.469 3.379 0.860 1.00 0.00 N ATOM 1010 CA ARG D 31 -16.600 4.258 0.550 1.00 0.00 C ATOM 1011 C ARG D 31 -16.320 5.692 1.026 1.00 0.00 C ATOM 1012 O ARG D 31 -17.214 6.388 1.522 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.895 3.634 1.099 1.00 0.00 C ATOM 1014 CG ARG D 31 -19.166 4.299 0.552 1.00 0.00 C ATOM 1015 CD ARG D 31 -20.092 4.762 1.683 1.00 0.00 C ATOM 1016 NE ARG D 31 -21.303 5.398 1.150 1.00 0.00 N ATOM 1017 CZ ARG D 31 -21.410 6.629 0.644 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.355 7.443 0.600 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -22.573 6.995 0.127 1.00 0.00 N ATOM 0 H ARG D 31 -15.141 2.858 0.047 1.00 0.00 H new ATOM 0 HA ARG D 31 -16.738 4.346 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.913 2.573 0.851 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.893 3.708 2.187 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.893 5.153 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -19.698 3.596 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -20.369 3.909 2.303 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.562 5.464 2.326 1.00 0.00 H new ATOM 0 HE ARG D 31 -22.156 4.839 1.168 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -19.452 7.128 0.955 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -20.450 8.381 0.211 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -23.357 6.343 0.123 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.685 7.929 -0.267 1.00 0.00 H new ATOM 1033 N HIS D 32 -15.065 6.131 0.884 1.00 0.00 N ATOM 1034 CA HIS D 32 -14.573 7.448 1.269 1.00 0.00 C ATOM 1035 C HIS D 32 -14.851 7.744 2.752 1.00 0.00 C ATOM 1036 O HIS D 32 -15.082 8.890 3.138 1.00 0.00 O ATOM 1037 CB HIS D 32 -15.116 8.478 0.263 1.00 0.00 C ATOM 1038 CG HIS D 32 -14.581 9.885 0.353 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -13.287 10.258 0.599 1.00 0.00 N flip ATOM 1040 CD2 HIS D 32 -15.287 11.018 0.014 1.00 0.00 C flip ATOM 1041 CE1 HIS D 32 -13.200 11.640 0.379 1.00 0.00 C flip ATOM 1042 NE2 HIS D 32 -14.430 12.047 0.016 1.00 0.00 N flip ATOM 0 H HIS D 32 -14.334 5.547 0.478 1.00 0.00 H new ATOM 0 HA HIS D 32 -13.486 7.500 1.211 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -14.916 8.105 -0.742 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -16.199 8.522 0.377 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -16.342 11.068 -0.213 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -12.319 12.256 0.481 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -14.676 13.007 -0.225 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.838 6.719 3.615 1.00 0.00 N ATOM 1051 CA ARG D 33 -15.080 6.860 5.051 1.00 0.00 C ATOM 1052 C ARG D 33 -14.129 7.877 5.668 1.00 0.00 C ATOM 1053 O ARG D 33 -14.580 8.795 6.354 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.002 5.475 5.713 1.00 0.00 C ATOM 1055 CG ARG D 33 -15.179 5.486 7.235 1.00 0.00 C ATOM 1056 CD ARG D 33 -15.359 4.054 7.750 1.00 0.00 C ATOM 1057 NE ARG D 33 -15.572 4.030 9.207 1.00 0.00 N ATOM 1058 CZ ARG D 33 -16.475 3.295 9.869 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -17.289 2.455 9.232 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -16.583 3.433 11.183 1.00 0.00 N ATOM 0 H ARG D 33 -14.656 5.757 3.328 1.00 0.00 H new ATOM 0 HA ARG D 33 -16.082 7.253 5.225 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -15.767 4.834 5.276 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.037 5.027 5.476 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -14.311 5.945 7.707 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -16.045 6.090 7.505 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.208 3.590 7.249 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -14.479 3.462 7.500 1.00 0.00 H new ATOM 0 HE ARG D 33 -14.971 4.634 9.768 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -17.233 2.361 8.218 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -17.969 1.906 9.758 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -15.983 4.093 11.678 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -17.267 2.879 11.699 1.00 0.00 H new ATOM 1074 N TYR D 34 -12.844 7.764 5.353 1.00 0.00 N ATOM 1075 CA TYR D 34 -11.808 8.660 5.848 1.00 0.00 C ATOM 1076 C TYR D 34 -11.886 10.053 5.211 1.00 0.00 C ATOM 1077 O TYR D 34 -11.117 10.932 5.581 1.00 0.00 O ATOM 1078 CB TYR D 34 -10.414 8.032 5.672 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.926 7.818 4.246 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -10.350 6.693 3.514 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.985 8.700 3.673 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -9.821 6.440 2.239 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.464 8.456 2.386 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.876 7.312 1.665 1.00 0.00 C ATOM 1085 OH TYR D 34 -8.361 7.008 0.444 1.00 0.00 O ATOM 0 H TYR D 34 -12.488 7.034 4.736 1.00 0.00 H new ATOM 0 HA TYR D 34 -11.984 8.801 6.914 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.690 8.665 6.186 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -10.411 7.067 6.179 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -11.085 6.022 3.935 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -8.661 9.570 4.225 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -10.142 5.566 1.692 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -7.752 9.142 1.952 1.00 0.00 H new ATOM 0 HH TYR D 34 -8.838 7.513 -0.247 1.00 0.00 H new HETATM 1095 N NH2 D 35 -12.788 10.317 4.273 1.00 0.00 N TER 1098 NH2 D 35 HETATM 1099 N ZAB A 10 6.013 -5.776 2.172 1.00 0.00 N HETATM 1100 CA ZAB A 10 4.874 -4.877 2.193 1.00 0.00 C HETATM 1101 CB ZAB A 10 3.572 -5.588 2.497 1.00 0.00 C HETATM 1102 CG2 ZAB A 10 2.500 -5.537 1.586 1.00 0.00 C HETATM 1103 CD2 ZAB A 10 1.272 -6.142 1.909 1.00 0.00 C HETATM 1104 CE ZAB A 10 1.121 -6.840 3.120 1.00 0.00 C HETATM 1105 CD1 ZAB A 10 2.206 -6.912 4.011 1.00 0.00 C HETATM 1106 CG1 ZAB A 10 3.407 -6.264 3.720 1.00 0.00 C HETATM 1107 NG ZAB A 10 2.157 -7.629 5.189 1.00 0.00 N HETATM 1108 NI ZAB A 10 1.221 -7.815 6.053 1.00 0.00 N HETATM 1109 CI ZAB A 10 -0.067 -7.333 6.088 1.00 0.00 C HETATM 1110 CJ2 ZAB A 10 -0.321 -5.957 6.190 1.00 0.00 C HETATM 1111 CK2 ZAB A 10 -1.652 -5.509 6.210 1.00 0.00 C HETATM 1112 CL ZAB A 10 -2.712 -6.429 6.120 1.00 0.00 C HETATM 1113 CK1 ZAB A 10 -2.449 -7.812 6.003 1.00 0.00 C HETATM 1114 CJ1 ZAB A 10 -1.112 -8.255 5.988 1.00 0.00 C HETATM 1115 CM ZAB A 10 -3.575 -8.834 5.950 1.00 0.00 C HETATM 1116 C ZAB A 10 -4.889 -8.342 5.327 1.00 0.00 C HETATM 1117 O ZAB A 10 -4.958 -8.256 4.094 1.00 0.00 O HETATM 0 HM3 ZAB A 10 -3.229 -9.700 5.387 1.00 0.00 H new HETATM 0 HM2 ZAB A 10 -3.780 -9.175 6.965 1.00 0.00 H new HETATM 0 HL ZAB A 10 -3.742 -6.073 6.141 1.00 0.00 H new HETATM 0 HK2 ZAB A 10 -1.864 -4.443 6.296 1.00 0.00 H new HETATM 0 HJ2 ZAB A 10 0.503 -5.246 6.253 1.00 0.00 H new HETATM 0 HJ1 ZAB A 10 -0.892 -9.319 5.898 1.00 0.00 H new HETATM 0 HG2 ZAB A 10 2.622 -5.028 0.630 1.00 0.00 H new HETATM 0 HG1 ZAB A 10 4.222 -6.282 4.444 1.00 0.00 H new HETATM 0 HE ZAB A 10 0.174 -7.320 3.365 1.00 0.00 H new HETATM 0 HD2 ZAB A 10 0.433 -6.069 1.217 1.00 0.00 H new HETATM 0 HA3 ZAB A 10 5.042 -4.102 2.940 1.00 0.00 H new HETATM 0 HA2 ZAB A 10 4.793 -4.377 1.228 1.00 0.00 H new HETATM 1131 N ZAB B 110 -5.936 -5.965 -1.713 1.00 0.00 N HETATM 1132 CA ZAB B 110 -4.661 -5.263 -1.708 1.00 0.00 C HETATM 1133 CB ZAB B 110 -3.493 -6.228 -1.753 1.00 0.00 C HETATM 1134 CG2 ZAB B 110 -2.710 -6.465 -0.605 1.00 0.00 C HETATM 1135 CD2 ZAB B 110 -1.593 -7.316 -0.678 1.00 0.00 C HETATM 1136 CE ZAB B 110 -1.249 -7.928 -1.898 1.00 0.00 C HETATM 1137 CD1 ZAB B 110 -2.075 -7.752 -3.022 1.00 0.00 C HETATM 1138 CG1 ZAB B 110 -3.184 -6.896 -2.952 1.00 0.00 C HETATM 1139 NG ZAB B 110 -1.821 -8.423 -4.203 1.00 0.00 N HETATM 1140 NI ZAB B 110 -0.793 -8.444 -4.984 1.00 0.00 N HETATM 1141 CI ZAB B 110 0.424 -7.797 -4.924 1.00 0.00 C HETATM 1142 CJ2 ZAB B 110 0.524 -6.459 -5.341 1.00 0.00 C HETATM 1143 CK2 ZAB B 110 1.784 -5.838 -5.366 1.00 0.00 C HETATM 1144 CL ZAB B 110 2.929 -6.547 -4.963 1.00 0.00 C HETATM 1145 CK1 ZAB B 110 2.820 -7.879 -4.507 1.00 0.00 C HETATM 1146 CJ1 ZAB B 110 1.561 -8.505 -4.506 1.00 0.00 C HETATM 1147 CM ZAB B 110 4.026 -8.681 -4.043 1.00 0.00 C HETATM 1148 C ZAB B 110 5.345 -7.920 -3.912 1.00 0.00 C HETATM 1149 O ZAB B 110 5.605 -7.375 -2.836 1.00 0.00 O HETATM 0 HM3 ZAB B 110 3.790 -9.122 -3.075 1.00 0.00 H new HETATM 0 HM2 ZAB B 110 4.176 -9.505 -4.741 1.00 0.00 H new HETATM 0 HL ZAB B 110 3.906 -6.066 -5.003 1.00 0.00 H new HETATM 0 HK2 ZAB B 110 1.874 -4.804 -5.699 1.00 0.00 H new HETATM 0 HJ2 ZAB B 110 -0.367 -5.908 -5.642 1.00 0.00 H new HETATM 0 HJ1 ZAB B 110 1.468 -9.541 -4.180 1.00 0.00 H new HETATM 0 HG2 ZAB B 110 -2.971 -5.988 0.340 1.00 0.00 H new HETATM 0 HG1 ZAB B 110 -3.810 -6.747 -3.832 1.00 0.00 H new HETATM 0 HE ZAB B 110 -0.347 -8.535 -1.971 1.00 0.00 H new HETATM 0 HD2 ZAB B 110 -0.992 -7.502 0.212 1.00 0.00 H new HETATM 0 HA3 ZAB B 110 -4.612 -4.591 -2.565 1.00 0.00 H new HETATM 0 HA2 ZAB B 110 -4.589 -4.645 -0.813 1.00 0.00 H new