USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -0.222 K(o=0.32,f=-1.7!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.542 K(o=0.32,f=-3!) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 1.95 K(o=4.5,f=-5.8!) USER MOD Set 2.2: A 49 GLN : amide:sc= 1.46 K(o=4.5,f=0.037) USER MOD Set 2.3: A 57 ASN : amide:sc= 1.11 K(o=4.5,f=0.88) USER MOD Set 3.1: A 30 TYR OH : rot 161:sc= 0.49 USER MOD Set 3.2: A 71 SER OG : rot 65:sc= 1.55 USER MOD Set 4.1: A 15 HIS : no HD1:sc= -0.611 K(o=2,f=-5.5!) USER MOD Set 4.2: A 19 LYS NZ :NH3+ -165:sc= 1.26 (180deg=-0.295) USER MOD Set 4.3: A 20 SER OG : rot 136:sc= 1.37 USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= 1.12 (180deg=0.855) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 25:sc= 1.11 USER MOD Single : A 8 THR OG1 : rot 164:sc= 1.05 USER MOD Single : A 13 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 1.09 (180deg=0.998) USER MOD Single : A 16 ASN : amide:sc= 0.4 K(o=0.4,f=-4.6!) USER MOD Single : A 17 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.48) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 90:sc= -0.207 USER MOD Single : A 26 HIS : no HE2:sc= -0.433 K(o=-0.42,f=-3.8!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0.979) USER MOD Single : A 33 THR OG1 : rot 99:sc= 1.3 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.239 (180deg=-0.826) USER MOD Single : A 55 THR OG1 : rot 32:sc= 1.35 USER MOD Single : A 64 SER OG : rot 41:sc= 0.254 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00706 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 0.882 (180deg=-1.27!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 3.826 -3.121 -13.354 1.00 0.00 N ATOM 30 CA LYS A 5 4.006 -4.561 -13.586 1.00 0.00 C ATOM 31 C LYS A 5 2.896 -5.431 -13.002 1.00 0.00 C ATOM 32 O LYS A 5 2.826 -6.601 -13.362 1.00 0.00 O ATOM 33 CB LYS A 5 5.399 -5.038 -13.135 1.00 0.00 C ATOM 34 CG LYS A 5 5.697 -4.803 -11.645 1.00 0.00 C ATOM 35 CD LYS A 5 6.527 -5.946 -11.027 1.00 0.00 C ATOM 36 CE LYS A 5 5.603 -7.091 -10.581 1.00 0.00 C ATOM 37 NZ LYS A 5 6.287 -8.128 -9.781 1.00 0.00 N ATOM 0 HA LYS A 5 3.935 -4.691 -14.666 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.492 -6.103 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.156 -4.526 -13.730 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.235 -3.862 -11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.758 -4.703 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.250 -6.315 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.094 -5.573 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.782 -6.677 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.163 -7.556 -11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.595 -8.841 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.021 -8.585 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.727 -7.689 -8.947 1.00 0.00 H new ATOM 47 N TYR A 6 2.051 -4.862 -12.129 1.00 0.00 N ATOM 48 CA TYR A 6 1.068 -5.577 -11.316 1.00 0.00 C ATOM 49 C TYR A 6 1.744 -6.553 -10.353 1.00 0.00 C ATOM 50 O TYR A 6 2.651 -7.294 -10.716 1.00 0.00 O ATOM 51 CB TYR A 6 0.035 -6.320 -12.167 1.00 0.00 C ATOM 52 CG TYR A 6 -0.768 -5.462 -13.135 1.00 0.00 C ATOM 53 CD1 TYR A 6 -0.251 -5.184 -14.416 1.00 0.00 C ATOM 54 CD2 TYR A 6 -2.048 -4.989 -12.795 1.00 0.00 C ATOM 55 CE1 TYR A 6 -0.976 -4.382 -15.314 1.00 0.00 C ATOM 56 CE2 TYR A 6 -2.777 -4.194 -13.696 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.232 -3.879 -14.950 1.00 0.00 C ATOM 58 OH TYR A 6 -2.919 -3.081 -15.810 1.00 0.00 O ATOM 0 H TYR A 6 2.037 -3.855 -11.967 1.00 0.00 H new ATOM 0 HA TYR A 6 0.542 -4.817 -10.739 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.550 -7.092 -12.738 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.660 -6.828 -11.499 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.706 -5.589 -14.709 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.474 -5.239 -11.834 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.564 -4.153 -16.286 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.755 -3.826 -13.424 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.772 -2.820 -15.404 1.00 0.00 H new ATOM 67 N TYR A 7 1.306 -6.540 -9.102 1.00 0.00 N ATOM 68 CA TYR A 7 1.948 -7.285 -8.040 1.00 0.00 C ATOM 69 C TYR A 7 0.895 -8.189 -7.428 1.00 0.00 C ATOM 70 O TYR A 7 -0.081 -7.710 -6.855 1.00 0.00 O ATOM 71 CB TYR A 7 2.589 -6.332 -7.026 1.00 0.00 C ATOM 72 CG TYR A 7 3.386 -5.198 -7.626 1.00 0.00 C ATOM 73 CD1 TYR A 7 2.738 -4.057 -8.125 1.00 0.00 C ATOM 74 CD2 TYR A 7 4.780 -5.296 -7.711 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.479 -3.080 -8.805 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.531 -4.226 -8.215 1.00 0.00 C ATOM 77 CZ TYR A 7 4.879 -3.118 -8.778 1.00 0.00 C ATOM 78 OH TYR A 7 5.585 -2.143 -9.411 1.00 0.00 O ATOM 0 H TYR A 7 0.490 -6.008 -8.799 1.00 0.00 H new ATOM 0 HA TYR A 7 2.766 -7.900 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.803 -5.911 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.243 -6.909 -6.372 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.674 -3.932 -7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.277 -6.198 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.970 -2.298 -9.350 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.610 -4.254 -8.170 1.00 0.00 H new ATOM 0 HH TYR A 7 5.035 -1.335 -9.482 1.00 0.00 H new ATOM 87 N THR A 8 1.070 -9.495 -7.592 1.00 0.00 N ATOM 88 CA THR A 8 0.209 -10.476 -6.953 1.00 0.00 C ATOM 89 C THR A 8 0.252 -10.230 -5.454 1.00 0.00 C ATOM 90 O THR A 8 1.293 -9.891 -4.900 1.00 0.00 O ATOM 91 CB THR A 8 0.669 -11.894 -7.332 1.00 0.00 C ATOM 92 OG1 THR A 8 2.062 -12.031 -7.097 1.00 0.00 O ATOM 93 CG2 THR A 8 0.394 -12.125 -8.820 1.00 0.00 C ATOM 0 H THR A 8 1.808 -9.899 -8.168 1.00 0.00 H new ATOM 0 HA THR A 8 -0.823 -10.381 -7.290 1.00 0.00 H new ATOM 0 HB THR A 8 0.127 -12.621 -6.728 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.300 -12.982 -7.086 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.717 -13.128 -9.098 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.674 -12.021 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.943 -11.391 -9.410 1.00 0.00 H new ATOM 101 N LEU A 9 -0.882 -10.370 -4.785 1.00 0.00 N ATOM 102 CA LEU A 9 -1.013 -10.326 -3.338 1.00 0.00 C ATOM 103 C LEU A 9 0.041 -11.212 -2.670 1.00 0.00 C ATOM 104 O LEU A 9 0.499 -10.916 -1.583 1.00 0.00 O ATOM 105 CB LEU A 9 -2.403 -10.813 -3.022 1.00 0.00 C ATOM 106 CG LEU A 9 -3.040 -10.270 -1.740 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.469 -10.812 -1.627 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.273 -10.578 -0.455 1.00 0.00 C ATOM 0 H LEU A 9 -1.773 -10.524 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.857 -9.316 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.052 -10.560 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.377 -11.901 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.023 -9.184 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.932 -10.431 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.050 -10.490 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.443 -11.901 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.804 -10.152 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.192 -11.658 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.275 -10.144 -0.514 1.00 0.00 H new ATOM 119 N GLU A 10 0.429 -12.307 -3.324 1.00 0.00 N ATOM 120 CA GLU A 10 1.629 -13.079 -3.000 1.00 0.00 C ATOM 121 C GLU A 10 2.794 -12.117 -2.704 1.00 0.00 C ATOM 122 O GLU A 10 3.407 -12.126 -1.638 1.00 0.00 O ATOM 123 CB GLU A 10 1.967 -13.936 -4.239 1.00 0.00 C ATOM 124 CG GLU A 10 3.479 -14.208 -4.395 1.00 0.00 C ATOM 125 CD GLU A 10 3.961 -14.633 -5.762 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.190 -14.482 -6.737 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.171 -14.964 -5.772 1.00 0.00 O ATOM 0 H GLU A 10 -0.094 -12.691 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 10 1.465 -13.708 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.438 -14.887 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.601 -13.431 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.017 -13.303 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.760 -14.982 -3.681 1.00 0.00 H new ATOM 132 N GLU A 11 3.116 -11.305 -3.710 1.00 0.00 N ATOM 133 CA GLU A 11 4.164 -10.306 -3.711 1.00 0.00 C ATOM 134 C GLU A 11 3.864 -9.314 -2.615 1.00 0.00 C ATOM 135 O GLU A 11 4.666 -9.140 -1.708 1.00 0.00 O ATOM 136 CB GLU A 11 4.311 -9.663 -5.112 1.00 0.00 C ATOM 137 CG GLU A 11 5.775 -9.461 -5.544 1.00 0.00 C ATOM 138 CD GLU A 11 5.900 -8.921 -6.968 1.00 0.00 C ATOM 139 OE1 GLU A 11 5.051 -9.250 -7.825 1.00 0.00 O ATOM 140 OE2 GLU A 11 6.864 -8.175 -7.257 1.00 0.00 O ATOM 0 H GLU A 11 2.616 -11.336 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 11 5.135 -10.755 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.807 -10.292 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.803 -8.699 -5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.261 -8.771 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.305 -10.411 -5.472 1.00 0.00 H new ATOM 145 N ILE A 12 2.659 -8.756 -2.618 1.00 0.00 N ATOM 146 CA ILE A 12 2.260 -7.818 -1.584 1.00 0.00 C ATOM 147 C ILE A 12 2.489 -8.376 -0.170 1.00 0.00 C ATOM 148 O ILE A 12 3.067 -7.700 0.682 1.00 0.00 O ATOM 149 CB ILE A 12 0.836 -7.288 -1.832 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.473 -7.014 -3.305 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.667 -5.957 -1.112 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.992 -6.596 -3.453 1.00 0.00 C ATOM 0 H ILE A 12 1.946 -8.938 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 12 2.915 -6.949 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 12 0.185 -8.084 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.118 -6.229 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.659 -7.909 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.340 -5.576 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.824 -6.099 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.396 -5.242 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.213 -6.411 -4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.637 -7.392 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.171 -5.687 -2.879 1.00 0.00 H new ATOM 163 N GLN A 13 2.177 -9.655 0.050 1.00 0.00 N ATOM 164 CA GLN A 13 2.419 -10.308 1.337 1.00 0.00 C ATOM 165 C GLN A 13 3.895 -10.307 1.742 1.00 0.00 C ATOM 166 O GLN A 13 4.215 -10.310 2.929 1.00 0.00 O ATOM 167 CB GLN A 13 1.926 -11.757 1.294 1.00 0.00 C ATOM 168 CG GLN A 13 0.454 -11.856 1.709 1.00 0.00 C ATOM 169 CD GLN A 13 0.241 -11.617 3.199 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.355 -10.631 3.610 1.00 0.00 O ATOM 171 NE2 GLN A 13 0.723 -12.522 4.039 1.00 0.00 N ATOM 0 H GLN A 13 1.753 -10.262 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 13 1.868 -9.731 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.050 -12.156 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.535 -12.371 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.128 -11.129 1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.073 -12.843 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.218 -13.339 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.599 -12.402 5.044 1.00 0.00 H new ATOM 178 N LYS A 14 4.803 -10.324 0.767 1.00 0.00 N ATOM 179 CA LYS A 14 6.231 -10.411 1.015 1.00 0.00 C ATOM 180 C LYS A 14 6.834 -9.034 1.379 1.00 0.00 C ATOM 181 O LYS A 14 8.035 -8.932 1.628 1.00 0.00 O ATOM 182 CB LYS A 14 6.887 -11.048 -0.223 1.00 0.00 C ATOM 183 CG LYS A 14 6.613 -12.564 -0.289 1.00 0.00 C ATOM 184 CD LYS A 14 7.255 -13.323 -1.476 1.00 0.00 C ATOM 185 CE LYS A 14 6.493 -13.140 -2.803 1.00 0.00 C ATOM 186 NZ LYS A 14 6.737 -14.230 -3.786 1.00 0.00 N ATOM 0 H LYS A 14 4.561 -10.277 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 14 6.427 -11.040 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.507 -10.569 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.962 -10.872 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.965 -13.017 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.534 -12.716 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.282 -12.980 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.302 -14.385 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.425 -13.083 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.781 -12.188 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.083 -14.127 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.717 -14.175 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.581 -15.151 -3.329 1.00 0.00 H new ATOM 196 N HIS A 15 6.011 -7.976 1.424 1.00 0.00 N ATOM 197 CA HIS A 15 6.415 -6.603 1.736 1.00 0.00 C ATOM 198 C HIS A 15 5.662 -5.990 2.927 1.00 0.00 C ATOM 199 O HIS A 15 4.818 -5.105 2.772 1.00 0.00 O ATOM 200 CB HIS A 15 6.223 -5.729 0.504 1.00 0.00 C ATOM 201 CG HIS A 15 7.142 -6.077 -0.635 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.425 -5.621 -0.850 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.793 -6.848 -1.705 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.840 -6.140 -2.017 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.890 -6.907 -2.569 1.00 0.00 N ATOM 0 H HIS A 15 5.012 -8.059 1.237 1.00 0.00 H new ATOM 0 HA HIS A 15 7.465 -6.645 2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.191 -5.816 0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.381 -4.687 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.838 -7.328 -1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.812 -5.962 -2.453 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.954 -7.429 -3.443 1.00 0.00 H new ATOM 212 N ASN A 16 6.053 -6.397 4.132 1.00 0.00 N ATOM 213 CA ASN A 16 5.617 -5.776 5.383 1.00 0.00 C ATOM 214 C ASN A 16 6.577 -6.097 6.536 1.00 0.00 C ATOM 215 O ASN A 16 6.212 -6.756 7.505 1.00 0.00 O ATOM 216 CB ASN A 16 4.160 -6.138 5.706 1.00 0.00 C ATOM 217 CG ASN A 16 3.662 -5.394 6.948 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.347 -4.535 7.498 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.441 -5.660 7.382 1.00 0.00 N ATOM 0 H ASN A 16 6.692 -7.180 4.270 1.00 0.00 H new ATOM 0 HA ASN A 16 5.648 -4.695 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.525 -5.893 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.078 -7.213 5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.061 -5.150 8.180 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.880 -6.375 6.919 1.00 0.00 H new ATOM 225 N ASN A 17 7.816 -5.608 6.439 1.00 0.00 N ATOM 226 CA ASN A 17 8.780 -5.628 7.540 1.00 0.00 C ATOM 227 C ASN A 17 9.649 -4.366 7.414 1.00 0.00 C ATOM 228 O ASN A 17 9.168 -3.326 6.960 1.00 0.00 O ATOM 229 CB ASN A 17 9.625 -6.918 7.478 1.00 0.00 C ATOM 230 CG ASN A 17 8.813 -8.190 7.263 1.00 0.00 C ATOM 231 OD1 ASN A 17 8.610 -8.616 6.132 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.361 -8.828 8.332 1.00 0.00 N ATOM 0 H ASN A 17 8.181 -5.184 5.586 1.00 0.00 H new ATOM 0 HA ASN A 17 8.278 -5.627 8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.352 -6.824 6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.189 -7.014 8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.832 -9.693 8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.542 -8.454 9.264 1.00 0.00 H new ATOM 238 N SER A 18 10.931 -4.450 7.777 1.00 0.00 N ATOM 239 CA SER A 18 11.921 -3.437 7.409 1.00 0.00 C ATOM 240 C SER A 18 12.201 -3.539 5.895 1.00 0.00 C ATOM 241 O SER A 18 12.511 -2.551 5.240 1.00 0.00 O ATOM 242 CB SER A 18 13.205 -3.659 8.220 1.00 0.00 C ATOM 243 OG SER A 18 12.872 -3.880 9.578 1.00 0.00 O ATOM 0 H SER A 18 11.310 -5.218 8.331 1.00 0.00 H new ATOM 0 HA SER A 18 11.543 -2.439 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.754 -4.514 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.859 -2.791 8.131 1.00 0.00 H new ATOM 0 HG SER A 18 13.691 -4.024 10.096 1.00 0.00 H new ATOM 248 N LYS A 19 12.048 -4.763 5.362 1.00 0.00 N ATOM 249 CA LYS A 19 12.037 -5.168 3.957 1.00 0.00 C ATOM 250 C LYS A 19 11.525 -4.076 3.024 1.00 0.00 C ATOM 251 O LYS A 19 12.202 -3.621 2.099 1.00 0.00 O ATOM 252 CB LYS A 19 11.076 -6.373 3.867 1.00 0.00 C ATOM 253 CG LYS A 19 10.794 -6.952 2.470 1.00 0.00 C ATOM 254 CD LYS A 19 12.008 -7.509 1.705 1.00 0.00 C ATOM 255 CE LYS A 19 12.861 -6.496 0.920 1.00 0.00 C ATOM 256 NZ LYS A 19 12.061 -5.662 -0.004 1.00 0.00 N ATOM 0 H LYS A 19 11.916 -5.570 5.971 1.00 0.00 H new ATOM 0 HA LYS A 19 13.056 -5.396 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.480 -7.173 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.124 -6.078 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.059 -7.750 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.335 -6.172 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.656 -8.016 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.651 -8.265 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.386 -5.849 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.621 -7.032 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.694 -5.187 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.390 -6.264 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.536 -4.948 0.540 1.00 0.00 H new ATOM 266 N SER A 20 10.250 -3.779 3.246 1.00 0.00 N ATOM 267 CA SER A 20 9.394 -2.788 2.617 1.00 0.00 C ATOM 268 C SER A 20 8.075 -2.812 3.399 1.00 0.00 C ATOM 269 O SER A 20 7.879 -3.676 4.262 1.00 0.00 O ATOM 270 CB SER A 20 9.130 -3.067 1.123 1.00 0.00 C ATOM 271 OG SER A 20 10.194 -3.754 0.483 1.00 0.00 O ATOM 0 H SER A 20 9.732 -4.292 3.959 1.00 0.00 H new ATOM 0 HA SER A 20 9.884 -1.815 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.217 -3.655 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.956 -2.121 0.609 1.00 0.00 H new ATOM 0 HG SER A 20 9.830 -4.462 -0.088 1.00 0.00 H new ATOM 276 N THR A 21 7.157 -1.901 3.095 1.00 0.00 N ATOM 277 CA THR A 21 5.816 -1.883 3.669 1.00 0.00 C ATOM 278 C THR A 21 4.805 -1.445 2.610 1.00 0.00 C ATOM 279 O THR A 21 4.649 -0.250 2.345 1.00 0.00 O ATOM 280 CB THR A 21 5.807 -1.008 4.928 1.00 0.00 C ATOM 281 OG1 THR A 21 6.849 -1.439 5.788 1.00 0.00 O ATOM 282 CG2 THR A 21 4.508 -1.138 5.716 1.00 0.00 C ATOM 0 H THR A 21 7.326 -1.143 2.433 1.00 0.00 H new ATOM 0 HA THR A 21 5.518 -2.883 3.983 1.00 0.00 H new ATOM 0 HB THR A 21 5.927 0.025 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.671 -0.948 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.552 -0.499 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.670 -0.834 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.372 -2.174 6.025 1.00 0.00 H new ATOM 290 N TRP A 22 4.163 -2.438 1.983 1.00 0.00 N ATOM 291 CA TRP A 22 3.182 -2.253 0.921 1.00 0.00 C ATOM 292 C TRP A 22 1.763 -2.179 1.407 1.00 0.00 C ATOM 293 O TRP A 22 1.453 -2.510 2.543 1.00 0.00 O ATOM 294 CB TRP A 22 3.311 -3.344 -0.160 1.00 0.00 C ATOM 295 CG TRP A 22 4.512 -3.364 -1.051 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.652 -2.668 -0.896 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.702 -4.150 -2.260 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.519 -2.951 -1.935 1.00 0.00 N ATOM 299 CE2 TRP A 22 5.984 -3.872 -2.808 1.00 0.00 C ATOM 300 CE3 TRP A 22 3.901 -5.061 -2.964 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.425 -4.475 -3.999 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.393 -5.788 -4.049 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.652 -5.491 -4.576 1.00 0.00 C ATOM 0 H TRP A 22 4.321 -3.419 2.212 1.00 0.00 H new ATOM 0 HA TRP A 22 3.415 -1.281 0.487 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.263 -4.309 0.344 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.431 -3.274 -0.800 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.859 -1.989 -0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.442 -2.529 -2.042 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.875 -5.204 -2.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.348 -4.159 -4.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.800 -6.580 -4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.028 -6.042 -5.425 1.00 0.00 H new ATOM 313 N LEU A 23 0.890 -1.710 0.525 1.00 0.00 N ATOM 314 CA LEU A 23 -0.518 -1.760 0.803 1.00 0.00 C ATOM 315 C LEU A 23 -1.362 -1.702 -0.460 1.00 0.00 C ATOM 316 O LEU A 23 -0.811 -1.479 -1.531 1.00 0.00 O ATOM 317 CB LEU A 23 -0.917 -0.706 1.830 1.00 0.00 C ATOM 318 CG LEU A 23 -0.042 0.437 2.344 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.802 1.749 2.072 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.065 0.357 3.870 1.00 0.00 C ATOM 0 H LEU A 23 1.139 -1.298 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.726 -2.732 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.812 -0.231 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.222 -1.262 2.716 1.00 0.00 H new ATOM 0 HG LEU A 23 0.938 0.386 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.209 2.593 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.978 1.852 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.757 1.732 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.689 1.173 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.929 0.437 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.511 -0.596 4.154 1.00 0.00 H new ATOM 331 N ILE A 24 -2.682 -1.899 -0.329 1.00 0.00 N ATOM 332 CA ILE A 24 -3.630 -1.707 -1.426 1.00 0.00 C ATOM 333 C ILE A 24 -4.617 -0.590 -1.103 1.00 0.00 C ATOM 334 O ILE A 24 -5.430 -0.748 -0.187 1.00 0.00 O ATOM 335 CB ILE A 24 -4.421 -2.990 -1.736 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.506 -4.113 -2.240 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.489 -2.724 -2.811 1.00 0.00 C ATOM 338 CD1 ILE A 24 -4.040 -5.524 -1.962 1.00 0.00 C ATOM 0 H ILE A 24 -3.119 -2.196 0.544 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.039 -1.439 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.891 -3.300 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.361 -3.995 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.527 -4.007 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.037 -3.644 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.181 -1.961 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.007 -2.378 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.337 -6.262 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.158 -5.663 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.005 -5.651 -2.452 1.00 0.00 H new ATOM 349 N LEU A 25 -4.577 0.500 -1.879 1.00 0.00 N ATOM 350 CA LEU A 25 -5.607 1.534 -1.852 1.00 0.00 C ATOM 351 C LEU A 25 -6.325 1.494 -3.214 1.00 0.00 C ATOM 352 O LEU A 25 -5.723 1.753 -4.255 1.00 0.00 O ATOM 353 CB LEU A 25 -5.085 2.934 -1.467 1.00 0.00 C ATOM 354 CG LEU A 25 -3.957 2.991 -0.425 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.714 4.442 -0.014 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.296 2.226 0.850 1.00 0.00 C ATOM 0 H LEU A 25 -3.826 0.686 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.315 1.322 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.735 3.427 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.925 3.518 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.082 2.540 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.914 4.482 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.429 5.025 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.626 4.856 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.464 2.300 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.191 2.652 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.475 1.178 0.609 1.00 0.00 H new ATOM 367 N HIS A 26 -7.602 1.109 -3.228 1.00 0.00 N ATOM 368 CA HIS A 26 -8.473 1.092 -4.402 1.00 0.00 C ATOM 369 C HIS A 26 -7.901 0.202 -5.534 1.00 0.00 C ATOM 370 O HIS A 26 -7.754 0.643 -6.673 1.00 0.00 O ATOM 371 CB HIS A 26 -8.790 2.542 -4.841 1.00 0.00 C ATOM 372 CG HIS A 26 -8.676 3.618 -3.775 1.00 0.00 C ATOM 373 ND1 HIS A 26 -9.660 4.095 -2.930 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.554 4.368 -3.536 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.132 5.112 -2.230 1.00 0.00 C ATOM 376 NE2 HIS A 26 -7.849 5.318 -2.559 1.00 0.00 N ATOM 0 H HIS A 26 -8.077 0.787 -2.385 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.422 0.625 -4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.121 2.803 -5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.805 2.563 -5.238 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.613 3.740 -2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.599 4.244 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -9.672 5.690 -1.495 1.00 0.00 H new ATOM 383 N TYR A 27 -7.509 -1.040 -5.202 1.00 0.00 N ATOM 384 CA TYR A 27 -6.770 -1.982 -6.056 1.00 0.00 C ATOM 385 C TYR A 27 -5.313 -1.603 -6.329 1.00 0.00 C ATOM 386 O TYR A 27 -4.527 -2.466 -6.728 1.00 0.00 O ATOM 387 CB TYR A 27 -7.428 -2.233 -7.416 1.00 0.00 C ATOM 388 CG TYR A 27 -8.903 -2.579 -7.424 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.372 -3.656 -6.647 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.749 -1.996 -8.386 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.656 -4.183 -6.871 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.035 -2.521 -8.603 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.483 -3.619 -7.852 1.00 0.00 C ATOM 394 OH TYR A 27 -12.689 -4.182 -8.129 1.00 0.00 O ATOM 0 H TYR A 27 -7.710 -1.433 -4.283 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.795 -2.887 -5.449 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.288 -1.342 -8.028 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.889 -3.044 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.743 -4.078 -5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.410 -1.145 -8.958 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.005 -5.022 -6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.679 -2.079 -9.349 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.136 -3.667 -8.833 1.00 0.00 H new ATOM 403 N LYS A 28 -4.942 -0.333 -6.164 1.00 0.00 N ATOM 404 CA LYS A 28 -3.602 0.099 -6.494 1.00 0.00 C ATOM 405 C LYS A 28 -2.659 -0.253 -5.360 1.00 0.00 C ATOM 406 O LYS A 28 -3.051 -0.150 -4.201 1.00 0.00 O ATOM 407 CB LYS A 28 -3.587 1.571 -6.884 1.00 0.00 C ATOM 408 CG LYS A 28 -4.232 1.651 -8.267 1.00 0.00 C ATOM 409 CD LYS A 28 -4.286 3.089 -8.769 1.00 0.00 C ATOM 410 CE LYS A 28 -4.737 3.140 -10.236 1.00 0.00 C ATOM 411 NZ LYS A 28 -5.895 2.255 -10.491 1.00 0.00 N ATOM 0 H LYS A 28 -5.552 0.402 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.242 -0.434 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.140 2.171 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.568 1.958 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.667 1.039 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.241 1.240 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.974 3.668 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.303 3.550 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.999 4.165 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.908 2.847 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.415 2.596 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.560 1.286 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.525 2.261 -9.664 1.00 0.00 H new ATOM 421 N VAL A 29 -1.449 -0.705 -5.698 1.00 0.00 N ATOM 422 CA VAL A 29 -0.466 -1.152 -4.719 1.00 0.00 C ATOM 423 C VAL A 29 0.524 -0.029 -4.442 1.00 0.00 C ATOM 424 O VAL A 29 0.954 0.691 -5.349 1.00 0.00 O ATOM 425 CB VAL A 29 0.267 -2.441 -5.115 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.390 -2.785 -4.124 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.675 -3.624 -4.967 1.00 0.00 C ATOM 0 H VAL A 29 -1.126 -0.770 -6.663 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.016 -1.400 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 29 0.638 -2.277 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.885 -3.704 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.116 -1.972 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.967 -2.924 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.156 -4.540 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.006 -3.698 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.540 -3.484 -5.615 1.00 0.00 H new ATOM 437 N TYR A 30 0.868 0.078 -3.167 1.00 0.00 N ATOM 438 CA TYR A 30 1.627 1.098 -2.513 1.00 0.00 C ATOM 439 C TYR A 30 2.897 0.470 -1.918 1.00 0.00 C ATOM 440 O TYR A 30 2.848 -0.706 -1.575 1.00 0.00 O ATOM 441 CB TYR A 30 0.604 1.629 -1.501 1.00 0.00 C ATOM 442 CG TYR A 30 -0.323 2.667 -2.089 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.417 2.254 -2.861 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.098 4.035 -1.883 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.308 3.199 -3.390 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.018 4.976 -2.360 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.139 4.561 -3.091 1.00 0.00 C ATOM 448 OH TYR A 30 -3.094 5.473 -3.423 1.00 0.00 O ATOM 0 H TYR A 30 0.581 -0.639 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 30 2.015 1.909 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.013 0.797 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.132 2.061 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.575 1.202 -3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.786 4.363 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.121 2.881 -4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.863 6.027 -2.164 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.973 6.284 -2.886 1.00 0.00 H new ATOM 457 N ASP A 31 4.011 1.214 -1.841 1.00 0.00 N ATOM 458 CA ASP A 31 5.237 0.882 -1.089 1.00 0.00 C ATOM 459 C ASP A 31 5.714 2.149 -0.378 1.00 0.00 C ATOM 460 O ASP A 31 6.139 3.107 -1.026 1.00 0.00 O ATOM 461 CB ASP A 31 6.372 0.337 -1.967 1.00 0.00 C ATOM 462 CG ASP A 31 7.566 -0.162 -1.141 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.697 0.230 0.044 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.302 -1.014 -1.686 1.00 0.00 O ATOM 0 H ASP A 31 4.088 2.109 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 31 4.986 0.087 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.992 -0.480 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.707 1.119 -2.649 1.00 0.00 H new ATOM 468 N LEU A 32 5.615 2.160 0.950 1.00 0.00 N ATOM 469 CA LEU A 32 5.713 3.399 1.714 1.00 0.00 C ATOM 470 C LEU A 32 6.939 3.483 2.611 1.00 0.00 C ATOM 471 O LEU A 32 7.607 4.513 2.610 1.00 0.00 O ATOM 472 CB LEU A 32 4.382 3.572 2.447 1.00 0.00 C ATOM 473 CG LEU A 32 3.236 3.244 1.478 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.893 3.481 2.113 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.199 4.131 0.243 1.00 0.00 C ATOM 0 H LEU A 32 5.467 1.325 1.517 1.00 0.00 H new ATOM 0 HA LEU A 32 5.876 4.240 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.341 2.915 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.284 4.593 2.815 1.00 0.00 H new ATOM 0 HG LEU A 32 3.423 2.203 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.105 3.239 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.791 2.848 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.808 4.528 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.363 3.837 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.077 5.171 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.131 4.021 -0.312 1.00 0.00 H new ATOM 486 N THR A 33 7.211 2.408 3.352 1.00 0.00 N ATOM 487 CA THR A 33 8.416 2.078 4.128 1.00 0.00 C ATOM 488 C THR A 33 9.136 3.179 4.930 1.00 0.00 C ATOM 489 O THR A 33 9.373 2.997 6.118 1.00 0.00 O ATOM 490 CB THR A 33 9.372 1.286 3.220 1.00 0.00 C ATOM 491 OG1 THR A 33 8.652 0.294 2.503 1.00 0.00 O ATOM 492 CG2 THR A 33 10.424 0.569 4.070 1.00 0.00 C ATOM 0 H THR A 33 6.519 1.663 3.435 1.00 0.00 H new ATOM 0 HA THR A 33 8.040 1.486 4.962 1.00 0.00 H new ATOM 0 HB THR A 33 9.846 1.986 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.458 0.620 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.098 0.010 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.995 1.303 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.930 -0.118 4.757 1.00 0.00 H new ATOM 500 N LYS A 34 9.510 4.303 4.325 1.00 0.00 N ATOM 501 CA LYS A 34 9.970 5.482 5.051 1.00 0.00 C ATOM 502 C LYS A 34 8.821 6.385 5.467 1.00 0.00 C ATOM 503 O LYS A 34 8.879 7.004 6.521 1.00 0.00 O ATOM 504 CB LYS A 34 10.883 6.314 4.154 1.00 0.00 C ATOM 505 CG LYS A 34 12.160 5.542 3.839 1.00 0.00 C ATOM 506 CD LYS A 34 13.283 6.516 3.445 1.00 0.00 C ATOM 507 CE LYS A 34 14.330 6.743 4.549 1.00 0.00 C ATOM 508 NZ LYS A 34 13.762 6.985 5.896 1.00 0.00 N ATOM 0 H LYS A 34 9.502 4.422 3.312 1.00 0.00 H new ATOM 0 HA LYS A 34 10.488 5.120 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.364 6.566 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.130 7.254 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.464 4.957 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.978 4.838 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.785 6.135 2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.840 7.475 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.984 5.872 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.952 7.595 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.479 7.437 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.934 7.609 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.474 6.080 6.319 1.00 0.00 H new ATOM 518 N PHE A 35 7.776 6.487 4.645 1.00 0.00 N ATOM 519 CA PHE A 35 6.658 7.382 4.962 1.00 0.00 C ATOM 520 C PHE A 35 6.130 7.114 6.373 1.00 0.00 C ATOM 521 O PHE A 35 5.811 8.033 7.120 1.00 0.00 O ATOM 522 CB PHE A 35 5.533 7.242 3.950 1.00 0.00 C ATOM 523 CG PHE A 35 4.341 8.115 4.292 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.529 9.485 4.567 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.053 7.557 4.378 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.426 10.313 4.815 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.951 8.384 4.648 1.00 0.00 C ATOM 528 CZ PHE A 35 2.134 9.769 4.817 1.00 0.00 C ATOM 0 H PHE A 35 7.678 5.972 3.770 1.00 0.00 H new ATOM 0 HA PHE A 35 7.034 8.404 4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.903 7.507 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.216 6.200 3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.527 9.898 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.912 6.496 4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.571 11.366 5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.962 7.957 4.726 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.278 10.414 4.948 1.00 0.00 H new ATOM 537 N LEU A 36 6.110 5.826 6.712 1.00 0.00 N ATOM 538 CA LEU A 36 5.944 5.262 8.040 1.00 0.00 C ATOM 539 C LEU A 36 6.464 6.207 9.153 1.00 0.00 C ATOM 540 O LEU A 36 5.739 6.518 10.095 1.00 0.00 O ATOM 541 CB LEU A 36 6.752 3.953 7.996 1.00 0.00 C ATOM 542 CG LEU A 36 6.343 2.924 6.934 1.00 0.00 C ATOM 543 CD1 LEU A 36 6.906 1.582 7.404 1.00 0.00 C ATOM 544 CD2 LEU A 36 4.845 2.719 6.723 1.00 0.00 C ATOM 0 H LEU A 36 6.218 5.098 6.006 1.00 0.00 H new ATOM 0 HA LEU A 36 4.893 5.103 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.800 4.206 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.683 3.478 8.974 1.00 0.00 H new ATOM 0 HG LEU A 36 6.725 3.300 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.645 0.806 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.991 1.651 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.484 1.331 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.686 1.969 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.389 2.382 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.389 3.660 6.416 1.00 0.00 H new ATOM 555 N GLU A 37 7.707 6.684 9.009 1.00 0.00 N ATOM 556 CA GLU A 37 8.420 7.588 9.912 1.00 0.00 C ATOM 557 C GLU A 37 7.700 8.940 10.092 1.00 0.00 C ATOM 558 O GLU A 37 7.653 9.489 11.192 1.00 0.00 O ATOM 559 CB GLU A 37 9.824 7.844 9.323 1.00 0.00 C ATOM 560 CG GLU A 37 10.667 6.574 9.067 1.00 0.00 C ATOM 561 CD GLU A 37 11.739 6.734 7.990 1.00 0.00 C ATOM 562 OE1 GLU A 37 11.949 7.847 7.456 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.378 5.716 7.639 1.00 0.00 O ATOM 0 H GLU A 37 8.277 6.429 8.203 1.00 0.00 H new ATOM 0 HA GLU A 37 8.470 7.116 10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.714 8.384 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.373 8.495 10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.148 6.278 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.000 5.761 8.780 1.00 0.00 H new ATOM 568 N GLU A 38 7.199 9.497 8.986 1.00 0.00 N ATOM 569 CA GLU A 38 6.666 10.853 8.863 1.00 0.00 C ATOM 570 C GLU A 38 5.160 10.911 9.178 1.00 0.00 C ATOM 571 O GLU A 38 4.672 11.813 9.856 1.00 0.00 O ATOM 572 CB GLU A 38 6.948 11.298 7.417 1.00 0.00 C ATOM 573 CG GLU A 38 6.644 12.781 7.150 1.00 0.00 C ATOM 574 CD GLU A 38 7.692 13.716 7.742 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.819 13.709 7.201 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.345 14.426 8.709 1.00 0.00 O ATOM 0 H GLU A 38 7.153 8.984 8.105 1.00 0.00 H new ATOM 0 HA GLU A 38 7.142 11.518 9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.996 11.105 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.354 10.687 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.583 12.946 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.667 13.027 7.567 1.00 0.00 H new ATOM 581 N HIS A 39 4.412 9.944 8.644 1.00 0.00 N ATOM 582 CA HIS A 39 2.959 9.854 8.688 1.00 0.00 C ATOM 583 C HIS A 39 2.366 10.098 10.089 1.00 0.00 C ATOM 584 O HIS A 39 2.663 9.342 11.012 1.00 0.00 O ATOM 585 CB HIS A 39 2.588 8.452 8.198 1.00 0.00 C ATOM 586 CG HIS A 39 1.112 8.165 8.150 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.521 7.029 8.647 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.163 8.860 7.445 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.753 7.034 8.215 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.031 8.138 7.484 1.00 0.00 N ATOM 0 H HIS A 39 4.831 9.161 8.142 1.00 0.00 H new ATOM 0 HA HIS A 39 2.541 10.639 8.057 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.003 8.311 7.200 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.065 7.718 8.848 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.963 6.319 9.231 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.314 9.805 6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.467 6.252 8.426 1.00 0.00 H new ATOM 597 N PRO A 40 1.463 11.081 10.265 1.00 0.00 N ATOM 598 CA PRO A 40 0.834 11.356 11.555 1.00 0.00 C ATOM 599 C PRO A 40 -0.046 10.198 12.050 1.00 0.00 C ATOM 600 O PRO A 40 -0.256 10.055 13.251 1.00 0.00 O ATOM 601 CB PRO A 40 0.063 12.666 11.370 1.00 0.00 C ATOM 602 CG PRO A 40 -0.236 12.682 9.875 1.00 0.00 C ATOM 603 CD PRO A 40 0.991 12.022 9.261 1.00 0.00 C ATOM 0 HA PRO A 40 1.581 11.456 12.343 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.851 12.684 11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.656 13.529 11.672 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.147 12.131 9.642 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.374 13.698 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.739 11.512 8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.757 12.760 9.023 1.00 0.00 H new ATOM 608 N GLY A 41 -0.527 9.335 11.147 1.00 0.00 N ATOM 609 CA GLY A 41 -1.168 8.071 11.521 1.00 0.00 C ATOM 610 C GLY A 41 -0.210 7.095 12.234 1.00 0.00 C ATOM 611 O GLY A 41 -0.660 6.104 12.805 1.00 0.00 O ATOM 0 H GLY A 41 -0.483 9.493 10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.016 8.280 12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.564 7.593 10.625 1.00 0.00 H new ATOM 615 N GLY A 42 1.108 7.339 12.167 1.00 0.00 N ATOM 616 CA GLY A 42 2.155 6.488 12.711 1.00 0.00 C ATOM 617 C GLY A 42 2.540 5.421 11.690 1.00 0.00 C ATOM 618 O GLY A 42 1.892 5.311 10.639 1.00 0.00 O ATOM 0 H GLY A 42 1.479 8.172 11.711 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.027 7.089 12.968 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.811 6.016 13.631 1.00 0.00 H new ATOM 622 N GLU A 43 3.557 4.604 11.999 1.00 0.00 N ATOM 623 CA GLU A 43 3.789 3.441 11.164 1.00 0.00 C ATOM 624 C GLU A 43 2.792 2.344 11.511 1.00 0.00 C ATOM 625 O GLU A 43 2.211 1.721 10.635 1.00 0.00 O ATOM 626 CB GLU A 43 5.146 2.728 11.346 1.00 0.00 C ATOM 627 CG GLU A 43 6.478 3.430 11.617 1.00 0.00 C ATOM 628 CD GLU A 43 7.647 2.464 11.371 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.382 1.273 11.057 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.799 2.927 11.458 1.00 0.00 O ATOM 0 H GLU A 43 4.198 4.725 12.783 1.00 0.00 H new ATOM 0 HA GLU A 43 3.719 3.856 10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.006 2.024 12.167 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.297 2.138 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.576 4.302 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.505 3.790 12.645 1.00 0.00 H new ATOM 635 N GLU A 44 2.630 2.085 12.809 1.00 0.00 N ATOM 636 CA GLU A 44 2.050 0.856 13.307 1.00 0.00 C ATOM 637 C GLU A 44 0.694 0.567 12.719 1.00 0.00 C ATOM 638 O GLU A 44 0.407 -0.564 12.371 1.00 0.00 O ATOM 639 CB GLU A 44 1.979 0.832 14.828 1.00 0.00 C ATOM 640 CG GLU A 44 3.349 1.066 15.483 1.00 0.00 C ATOM 641 CD GLU A 44 3.280 0.943 16.999 1.00 0.00 C ATOM 642 OE1 GLU A 44 2.873 1.945 17.625 1.00 0.00 O ATOM 643 OE2 GLU A 44 3.628 -0.149 17.495 1.00 0.00 O ATOM 0 H GLU A 44 2.904 2.736 13.545 1.00 0.00 H new ATOM 0 HA GLU A 44 2.724 0.064 12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.281 1.597 15.168 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.582 -0.129 15.155 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.067 0.345 15.092 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.715 2.057 15.215 1.00 0.00 H new ATOM 648 N HIS A 45 -0.119 1.602 12.577 1.00 0.00 N ATOM 649 CA HIS A 45 -1.473 1.452 12.091 1.00 0.00 C ATOM 650 C HIS A 45 -1.539 1.294 10.567 1.00 0.00 C ATOM 651 O HIS A 45 -2.463 0.701 10.017 1.00 0.00 O ATOM 652 CB HIS A 45 -2.243 2.660 12.597 1.00 0.00 C ATOM 653 CG HIS A 45 -3.730 2.481 12.411 1.00 0.00 C ATOM 654 ND1 HIS A 45 -4.447 1.350 12.737 1.00 0.00 N ATOM 655 CD2 HIS A 45 -4.573 3.313 11.727 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.700 1.519 12.292 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.827 2.698 11.658 1.00 0.00 N ATOM 0 H HIS A 45 0.143 2.563 12.795 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.920 0.531 12.467 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.023 2.818 13.653 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.913 3.553 12.066 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.088 0.531 13.229 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.315 4.276 11.313 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.499 0.805 12.425 1.00 0.00 H new ATOM 664 N LEU A 46 -0.511 1.791 9.883 1.00 0.00 N ATOM 665 CA LEU A 46 -0.298 1.616 8.455 1.00 0.00 C ATOM 666 C LEU A 46 0.316 0.230 8.195 1.00 0.00 C ATOM 667 O LEU A 46 -0.006 -0.445 7.222 1.00 0.00 O ATOM 668 CB LEU A 46 0.597 2.800 8.036 1.00 0.00 C ATOM 669 CG LEU A 46 0.884 2.985 6.546 1.00 0.00 C ATOM 670 CD1 LEU A 46 -0.422 3.132 5.776 1.00 0.00 C ATOM 671 CD2 LEU A 46 1.677 4.284 6.356 1.00 0.00 C ATOM 0 H LEU A 46 0.221 2.346 10.327 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.212 1.630 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.135 3.716 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.552 2.696 8.551 1.00 0.00 H new ATOM 0 HG LEU A 46 1.439 2.120 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.206 3.263 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.029 2.237 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.967 4.001 6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.889 4.429 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.092 5.125 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.614 4.222 6.909 1.00 0.00 H new ATOM 682 N ARG A 47 1.157 -0.223 9.126 1.00 0.00 N ATOM 683 CA ARG A 47 1.911 -1.468 9.102 1.00 0.00 C ATOM 684 C ARG A 47 1.009 -2.652 9.447 1.00 0.00 C ATOM 685 O ARG A 47 1.091 -3.719 8.847 1.00 0.00 O ATOM 686 CB ARG A 47 3.065 -1.315 10.096 1.00 0.00 C ATOM 687 CG ARG A 47 4.167 -2.355 9.881 1.00 0.00 C ATOM 688 CD ARG A 47 5.354 -2.126 10.832 1.00 0.00 C ATOM 689 NE ARG A 47 6.325 -1.120 10.339 1.00 0.00 N ATOM 690 CZ ARG A 47 7.254 -1.319 9.397 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.215 -2.376 8.595 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.240 -0.446 9.281 1.00 0.00 N ATOM 0 H ARG A 47 1.339 0.312 9.975 1.00 0.00 H new ATOM 0 HA ARG A 47 2.307 -1.669 8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.490 -0.316 10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.679 -1.404 11.112 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.761 -3.354 10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.513 -2.311 8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.975 -1.807 11.803 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.872 -3.072 10.988 1.00 0.00 H new ATOM 0 HE ARG A 47 6.281 -0.190 10.756 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.464 -3.060 8.689 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.936 -2.504 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.282 0.361 9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.958 -0.580 8.569 1.00 0.00 H new ATOM 703 N GLU A 48 0.131 -2.416 10.416 1.00 0.00 N ATOM 704 CA GLU A 48 -0.998 -3.269 10.784 1.00 0.00 C ATOM 705 C GLU A 48 -1.795 -3.712 9.550 1.00 0.00 C ATOM 706 O GLU A 48 -2.056 -4.898 9.359 1.00 0.00 O ATOM 707 CB GLU A 48 -1.882 -2.466 11.745 1.00 0.00 C ATOM 708 CG GLU A 48 -3.155 -3.194 12.204 1.00 0.00 C ATOM 709 CD GLU A 48 -3.948 -2.403 13.243 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.761 -1.167 13.303 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.737 -3.052 13.959 1.00 0.00 O ATOM 0 H GLU A 48 0.189 -1.580 10.998 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.637 -4.180 11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.294 -2.202 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.168 -1.533 11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.790 -3.387 11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.883 -4.163 12.622 1.00 0.00 H new ATOM 716 N GLN A 49 -2.154 -2.752 8.691 1.00 0.00 N ATOM 717 CA GLN A 49 -2.791 -3.050 7.412 1.00 0.00 C ATOM 718 C GLN A 49 -1.811 -3.701 6.433 1.00 0.00 C ATOM 719 O GLN A 49 -2.165 -4.630 5.716 1.00 0.00 O ATOM 720 CB GLN A 49 -3.246 -1.760 6.728 1.00 0.00 C ATOM 721 CG GLN A 49 -4.353 -0.931 7.369 1.00 0.00 C ATOM 722 CD GLN A 49 -5.714 -1.583 7.580 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.433 -1.209 8.502 1.00 0.00 O ATOM 724 NE2 GLN A 49 -6.132 -2.502 6.721 1.00 0.00 N ATOM 0 H GLN A 49 -2.011 -1.757 8.864 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.624 -3.716 7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.372 -1.117 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.571 -2.020 5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.993 -0.590 8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.501 -0.043 6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.523 -2.803 5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.062 -2.908 6.821 1.00 0.00 H new ATOM 731 N ALA A 50 -0.605 -3.125 6.364 1.00 0.00 N ATOM 732 CA ALA A 50 0.378 -3.380 5.318 1.00 0.00 C ATOM 733 C ALA A 50 0.603 -4.842 4.911 1.00 0.00 C ATOM 734 O ALA A 50 0.380 -5.803 5.647 1.00 0.00 O ATOM 735 CB ALA A 50 1.713 -2.729 5.670 1.00 0.00 C ATOM 0 H ALA A 50 -0.282 -2.450 7.057 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.071 -2.925 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.435 -2.929 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.577 -1.652 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.081 -3.140 6.610 1.00 0.00 H new ATOM 741 N GLY A 51 1.120 -4.983 3.694 1.00 0.00 N ATOM 742 CA GLY A 51 1.191 -6.250 2.974 1.00 0.00 C ATOM 743 C GLY A 51 -0.009 -6.394 2.026 1.00 0.00 C ATOM 744 O GLY A 51 -0.206 -7.443 1.415 1.00 0.00 O ATOM 0 H GLY A 51 1.510 -4.201 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.120 -6.301 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.205 -7.078 3.683 1.00 0.00 H new ATOM 748 N GLY A 52 -0.791 -5.313 1.883 1.00 0.00 N ATOM 749 CA GLY A 52 -1.993 -5.201 1.072 1.00 0.00 C ATOM 750 C GLY A 52 -3.101 -4.512 1.864 1.00 0.00 C ATOM 751 O GLY A 52 -2.828 -3.923 2.904 1.00 0.00 O ATOM 0 H GLY A 52 -0.578 -4.441 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.778 -4.635 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.322 -6.192 0.758 1.00 0.00 H new ATOM 755 N ASP A 53 -4.311 -4.511 1.304 1.00 0.00 N ATOM 756 CA ASP A 53 -5.573 -4.208 1.980 1.00 0.00 C ATOM 757 C ASP A 53 -5.531 -3.020 2.966 1.00 0.00 C ATOM 758 O ASP A 53 -5.294 -3.183 4.164 1.00 0.00 O ATOM 759 CB ASP A 53 -6.027 -5.521 2.642 1.00 0.00 C ATOM 760 CG ASP A 53 -7.380 -5.420 3.328 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.015 -4.356 3.184 1.00 0.00 O ATOM 762 OD2 ASP A 53 -7.752 -6.422 3.974 1.00 0.00 O ATOM 0 H ASP A 53 -4.444 -4.733 0.317 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.295 -3.855 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.070 -6.304 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.280 -5.827 3.374 1.00 0.00 H new ATOM 766 N ALA A 54 -5.776 -1.806 2.464 1.00 0.00 N ATOM 767 CA ALA A 54 -5.829 -0.623 3.325 1.00 0.00 C ATOM 768 C ALA A 54 -6.719 0.472 2.747 1.00 0.00 C ATOM 769 O ALA A 54 -6.685 1.622 3.185 1.00 0.00 O ATOM 770 CB ALA A 54 -4.393 -0.157 3.555 1.00 0.00 C ATOM 0 H ALA A 54 -5.939 -1.618 1.475 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.289 -0.875 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.395 0.726 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.825 -0.953 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.933 0.089 2.598 1.00 0.00 H new ATOM 776 N THR A 55 -7.558 0.090 1.787 1.00 0.00 N ATOM 777 CA THR A 55 -8.459 0.975 1.078 1.00 0.00 C ATOM 778 C THR A 55 -9.521 1.458 2.060 1.00 0.00 C ATOM 779 O THR A 55 -9.715 2.656 2.262 1.00 0.00 O ATOM 780 CB THR A 55 -9.051 0.184 -0.095 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.034 -0.302 -0.944 1.00 0.00 O ATOM 782 CG2 THR A 55 -9.983 1.057 -0.936 1.00 0.00 C ATOM 0 H THR A 55 -7.626 -0.879 1.476 1.00 0.00 H new ATOM 0 HA THR A 55 -7.958 1.856 0.677 1.00 0.00 H new ATOM 0 HB THR A 55 -9.608 -0.647 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.231 -0.494 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.387 0.469 -1.760 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.801 1.420 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.426 1.905 -1.335 1.00 0.00 H new ATOM 790 N GLU A 56 -10.137 0.499 2.745 1.00 0.00 N ATOM 791 CA GLU A 56 -11.172 0.720 3.729 1.00 0.00 C ATOM 792 C GLU A 56 -10.664 1.631 4.845 1.00 0.00 C ATOM 793 O GLU A 56 -11.305 2.632 5.140 1.00 0.00 O ATOM 794 CB GLU A 56 -11.687 -0.634 4.244 1.00 0.00 C ATOM 795 CG GLU A 56 -12.521 -1.405 3.198 1.00 0.00 C ATOM 796 CD GLU A 56 -11.768 -1.844 1.944 1.00 0.00 C ATOM 797 OE1 GLU A 56 -10.530 -1.999 2.038 1.00 0.00 O ATOM 798 OE2 GLU A 56 -12.438 -1.977 0.899 1.00 0.00 O ATOM 0 H GLU A 56 -9.915 -0.488 2.619 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.017 1.237 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.838 -1.247 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.294 -0.470 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.941 -2.290 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.360 -0.778 2.895 1.00 0.00 H new ATOM 803 N ASN A 57 -9.486 1.355 5.419 1.00 0.00 N ATOM 804 CA ASN A 57 -8.899 2.274 6.394 1.00 0.00 C ATOM 805 C ASN A 57 -8.707 3.672 5.773 1.00 0.00 C ATOM 806 O ASN A 57 -9.132 4.687 6.325 1.00 0.00 O ATOM 807 CB ASN A 57 -7.566 1.720 6.924 1.00 0.00 C ATOM 808 CG ASN A 57 -7.202 2.366 8.254 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.093 3.580 8.360 1.00 0.00 O ATOM 810 ND2 ASN A 57 -6.973 1.559 9.279 1.00 0.00 N ATOM 0 H ASN A 57 -8.932 0.520 5.229 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.585 2.369 7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.640 0.640 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.775 1.905 6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.699 1.946 10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.071 0.550 9.165 1.00 0.00 H new ATOM 816 N PHE A 58 -8.086 3.715 4.587 1.00 0.00 N ATOM 817 CA PHE A 58 -7.766 4.975 3.916 1.00 0.00 C ATOM 818 C PHE A 58 -8.983 5.879 3.645 1.00 0.00 C ATOM 819 O PHE A 58 -8.839 7.099 3.760 1.00 0.00 O ATOM 820 CB PHE A 58 -6.984 4.697 2.631 1.00 0.00 C ATOM 821 CG PHE A 58 -6.463 5.944 1.947 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.362 6.631 2.491 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.994 6.350 0.709 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.776 7.698 1.787 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.398 7.404 -0.004 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.284 8.075 0.532 1.00 0.00 C ATOM 0 H PHE A 58 -7.795 2.884 4.072 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.146 5.543 4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.143 4.044 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.626 4.155 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.966 6.338 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.862 5.850 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.936 8.228 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.795 7.699 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.820 8.879 -0.020 1.00 0.00 H new ATOM 835 N GLU A 59 -10.138 5.283 3.307 1.00 0.00 N ATOM 836 CA GLU A 59 -11.445 5.856 2.992 1.00 0.00 C ATOM 837 C GLU A 59 -12.334 6.052 4.238 1.00 0.00 C ATOM 838 O GLU A 59 -13.134 6.983 4.266 1.00 0.00 O ATOM 839 CB GLU A 59 -12.131 5.019 1.897 1.00 0.00 C ATOM 840 CG GLU A 59 -11.346 5.116 0.570 1.00 0.00 C ATOM 841 CD GLU A 59 -12.160 4.749 -0.666 1.00 0.00 C ATOM 842 OE1 GLU A 59 -13.112 5.506 -0.949 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.758 3.792 -1.365 1.00 0.00 O ATOM 0 H GLU A 59 -10.175 4.266 3.242 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.287 6.862 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.195 3.978 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.152 5.370 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.972 6.133 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.477 4.461 0.626 1.00 0.00 H new ATOM 848 N ASP A 60 -12.178 5.223 5.279 1.00 0.00 N ATOM 849 CA ASP A 60 -12.782 5.435 6.594 1.00 0.00 C ATOM 850 C ASP A 60 -12.204 6.717 7.212 1.00 0.00 C ATOM 851 O ASP A 60 -12.934 7.655 7.524 1.00 0.00 O ATOM 852 CB ASP A 60 -12.531 4.190 7.453 1.00 0.00 C ATOM 853 CG ASP A 60 -13.126 4.334 8.843 1.00 0.00 C ATOM 854 OD1 ASP A 60 -12.388 4.834 9.717 1.00 0.00 O ATOM 855 OD2 ASP A 60 -14.301 3.941 9.001 1.00 0.00 O ATOM 0 H ASP A 60 -11.618 4.372 5.226 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.861 5.574 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.961 3.317 6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.458 4.014 7.533 1.00 0.00 H new ATOM 859 N VAL A 61 -10.869 6.790 7.300 1.00 0.00 N ATOM 860 CA VAL A 61 -10.180 8.047 7.600 1.00 0.00 C ATOM 861 C VAL A 61 -10.501 9.046 6.474 1.00 0.00 C ATOM 862 O VAL A 61 -10.752 10.224 6.712 1.00 0.00 O ATOM 863 CB VAL A 61 -8.665 7.798 7.730 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.904 9.110 7.968 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.362 6.846 8.896 1.00 0.00 C ATOM 0 H VAL A 61 -10.247 5.992 7.167 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.519 8.460 8.550 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.337 7.350 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.838 8.901 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.074 9.786 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.259 9.575 8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.286 6.687 8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.725 7.283 9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.859 5.891 8.725 1.00 0.00 H new ATOM 875 N GLY A 62 -10.502 8.542 5.236 1.00 0.00 N ATOM 876 CA GLY A 62 -10.949 9.208 4.019 1.00 0.00 C ATOM 877 C GLY A 62 -10.200 10.506 3.764 1.00 0.00 C ATOM 878 O GLY A 62 -10.747 11.602 3.702 1.00 0.00 O ATOM 0 H GLY A 62 -10.168 7.596 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.812 8.539 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.017 9.415 4.092 1.00 0.00 H new ATOM 882 N HIS A 63 -8.903 10.304 3.542 1.00 0.00 N ATOM 883 CA HIS A 63 -7.862 11.311 3.481 1.00 0.00 C ATOM 884 CB HIS A 63 -6.562 10.598 3.129 1.00 0.00 C ATOM 885 CG HIS A 63 -5.990 9.759 4.236 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.507 8.604 4.780 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.751 9.956 4.770 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.584 8.129 5.638 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.484 8.912 5.650 1.00 0.00 N ATOM 0 H HIS A 63 -8.533 9.366 3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.735 9.962 2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.822 11.343 2.836 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.415 8.188 4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.090 10.781 4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.707 7.239 6.237 1.00 0.00 H new ATOM 896 N SER A 64 -7.456 13.590 2.811 1.00 0.00 N ATOM 897 CA SER A 64 -7.328 14.804 2.017 1.00 0.00 C ATOM 898 C SER A 64 -6.794 14.591 0.591 1.00 0.00 C ATOM 899 O SER A 64 -6.127 13.600 0.287 1.00 0.00 O ATOM 900 CB SER A 64 -6.384 15.728 2.799 1.00 0.00 C ATOM 901 OG SER A 64 -6.949 15.952 4.078 1.00 0.00 O ATOM 0 HA SER A 64 -8.323 15.225 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.398 15.274 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.251 16.672 2.271 1.00 0.00 H new ATOM 0 HG SER A 64 -7.330 15.116 4.418 1.00 0.00 H new ATOM 906 N THR A 65 -7.039 15.579 -0.278 1.00 0.00 N ATOM 907 CA THR A 65 -6.440 15.699 -1.612 1.00 0.00 C ATOM 908 C THR A 65 -4.926 15.519 -1.551 1.00 0.00 C ATOM 909 O THR A 65 -4.381 14.700 -2.286 1.00 0.00 O ATOM 910 CB THR A 65 -6.777 17.078 -2.192 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.525 18.052 -1.198 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.251 17.168 -2.590 1.00 0.00 C ATOM 0 H THR A 65 -7.681 16.342 -0.064 1.00 0.00 H new ATOM 0 HA THR A 65 -6.848 14.916 -2.251 1.00 0.00 H new ATOM 0 HB THR A 65 -6.165 17.242 -3.079 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.733 18.942 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.458 18.158 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.471 16.412 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.876 16.999 -1.713 1.00 0.00 H new ATOM 920 N ASP A 66 -4.272 16.236 -0.634 1.00 0.00 N ATOM 921 CA ASP A 66 -2.873 16.055 -0.260 1.00 0.00 C ATOM 922 C ASP A 66 -2.410 14.591 -0.379 1.00 0.00 C ATOM 923 O ASP A 66 -1.480 14.283 -1.116 1.00 0.00 O ATOM 924 CB ASP A 66 -2.712 16.581 1.170 1.00 0.00 C ATOM 925 CG ASP A 66 -1.301 16.349 1.684 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.066 15.220 2.166 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.492 17.289 1.562 1.00 0.00 O ATOM 0 H ASP A 66 -4.723 16.988 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.237 16.611 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.941 17.646 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.427 16.085 1.826 1.00 0.00 H new ATOM 931 N ALA A 67 -3.108 13.672 0.293 1.00 0.00 N ATOM 932 CA ALA A 67 -2.722 12.266 0.360 1.00 0.00 C ATOM 933 C ALA A 67 -2.893 11.538 -0.984 1.00 0.00 C ATOM 934 O ALA A 67 -2.128 10.643 -1.349 1.00 0.00 O ATOM 935 CB ALA A 67 -3.560 11.584 1.441 1.00 0.00 C ATOM 0 H ALA A 67 -3.962 13.887 0.808 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.661 12.216 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.284 10.531 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.377 12.066 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.617 11.668 1.189 1.00 0.00 H new ATOM 941 N ARG A 68 -3.930 11.915 -1.726 1.00 0.00 N ATOM 942 CA ARG A 68 -4.243 11.396 -3.053 1.00 0.00 C ATOM 943 C ARG A 68 -3.226 11.892 -4.091 1.00 0.00 C ATOM 944 O ARG A 68 -2.829 11.157 -4.993 1.00 0.00 O ATOM 945 CB ARG A 68 -5.677 11.827 -3.375 1.00 0.00 C ATOM 946 CG ARG A 68 -6.672 11.088 -2.459 1.00 0.00 C ATOM 947 CD ARG A 68 -8.037 11.785 -2.387 1.00 0.00 C ATOM 948 NE ARG A 68 -8.735 11.445 -1.130 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.623 10.470 -0.900 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.959 9.599 -1.843 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.176 10.381 0.299 1.00 0.00 N ATOM 0 H ARG A 68 -4.600 12.616 -1.408 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.176 10.308 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.780 12.904 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.904 11.612 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.807 10.069 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.252 11.015 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.903 12.865 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.648 11.487 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.510 12.033 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.538 9.663 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.638 8.866 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.923 11.048 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.855 9.645 0.494 1.00 0.00 H new ATOM 962 N GLU A 69 -2.757 13.124 -3.921 1.00 0.00 N ATOM 963 CA GLU A 69 -1.631 13.665 -4.678 1.00 0.00 C ATOM 964 C GLU A 69 -0.326 12.955 -4.297 1.00 0.00 C ATOM 965 O GLU A 69 0.426 12.496 -5.155 1.00 0.00 O ATOM 966 CB GLU A 69 -1.553 15.183 -4.472 1.00 0.00 C ATOM 967 CG GLU A 69 -2.675 15.905 -5.236 1.00 0.00 C ATOM 968 CD GLU A 69 -2.580 15.688 -6.739 1.00 0.00 C ATOM 969 OE1 GLU A 69 -1.465 15.824 -7.292 1.00 0.00 O ATOM 970 OE2 GLU A 69 -3.572 15.237 -7.353 1.00 0.00 O ATOM 0 H GLU A 69 -3.151 13.782 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.785 13.481 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.627 15.413 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.584 15.550 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.642 15.549 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.629 16.973 -5.021 1.00 0.00 H new ATOM 975 N LEU A 70 -0.082 12.810 -2.996 1.00 0.00 N ATOM 976 CA LEU A 70 1.069 12.100 -2.451 1.00 0.00 C ATOM 977 C LEU A 70 1.137 10.675 -3.021 1.00 0.00 C ATOM 978 O LEU A 70 2.186 10.239 -3.484 1.00 0.00 O ATOM 979 CB LEU A 70 0.991 12.066 -0.914 1.00 0.00 C ATOM 980 CG LEU A 70 2.326 11.927 -0.158 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.433 11.209 -0.923 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.845 13.303 0.236 1.00 0.00 C ATOM 0 H LEU A 70 -0.695 13.193 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 70 1.977 12.628 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.503 12.981 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.347 11.236 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 70 2.090 11.309 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.330 11.163 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.109 10.198 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.652 11.753 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.789 13.197 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.001 13.903 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.117 13.796 0.881 1.00 0.00 H new ATOM 993 N SER A 71 0.000 9.962 -3.034 1.00 0.00 N ATOM 994 CA SER A 71 -0.119 8.577 -3.483 1.00 0.00 C ATOM 995 C SER A 71 0.679 8.292 -4.758 1.00 0.00 C ATOM 996 O SER A 71 1.303 7.243 -4.888 1.00 0.00 O ATOM 997 CB SER A 71 -1.589 8.221 -3.723 1.00 0.00 C ATOM 998 OG SER A 71 -2.299 8.062 -2.506 1.00 0.00 O ATOM 0 H SER A 71 -0.889 10.352 -2.720 1.00 0.00 H new ATOM 0 HA SER A 71 0.298 7.959 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.060 9.003 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.650 7.300 -4.302 1.00 0.00 H new ATOM 0 HG SER A 71 -2.329 8.918 -2.030 1.00 0.00 H new ATOM 1003 N LYS A 72 0.685 9.250 -5.683 1.00 0.00 N ATOM 1004 CA LYS A 72 1.380 9.149 -6.967 1.00 0.00 C ATOM 1005 C LYS A 72 2.854 8.759 -6.795 1.00 0.00 C ATOM 1006 O LYS A 72 3.385 7.975 -7.576 1.00 0.00 O ATOM 1007 CB LYS A 72 1.247 10.474 -7.729 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.219 10.910 -7.803 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.375 12.223 -8.579 1.00 0.00 C ATOM 1010 CE LYS A 72 -1.859 12.608 -8.651 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.041 14.023 -9.036 1.00 0.00 N ATOM 0 H LYS A 72 0.197 10.137 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 72 0.912 8.353 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.837 11.245 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.650 10.363 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.808 10.129 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.615 11.032 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.193 13.015 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.031 12.113 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.366 11.967 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.328 12.432 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.002 14.330 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.346 14.612 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.903 14.124 -10.062 1.00 0.00 H new ATOM 1021 N THR A 73 3.496 9.293 -5.750 1.00 0.00 N ATOM 1022 CA THR A 73 4.901 9.006 -5.407 1.00 0.00 C ATOM 1023 C THR A 73 5.102 7.836 -4.424 1.00 0.00 C ATOM 1024 O THR A 73 6.225 7.492 -4.068 1.00 0.00 O ATOM 1025 CB THR A 73 5.603 10.299 -4.943 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.960 10.307 -5.334 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.555 10.505 -3.426 1.00 0.00 C ATOM 0 H THR A 73 3.051 9.947 -5.106 1.00 0.00 H new ATOM 0 HA THR A 73 5.377 8.652 -6.321 1.00 0.00 H new ATOM 0 HB THR A 73 5.052 11.109 -5.422 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.383 11.137 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.067 11.432 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.517 10.561 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.047 9.669 -2.930 1.00 0.00 H new ATOM 1035 N PHE A 74 4.004 7.219 -3.988 1.00 0.00 N ATOM 1036 CA PHE A 74 3.941 6.133 -3.008 1.00 0.00 C ATOM 1037 C PHE A 74 3.434 4.828 -3.626 1.00 0.00 C ATOM 1038 O PHE A 74 3.652 3.745 -3.084 1.00 0.00 O ATOM 1039 CB PHE A 74 3.004 6.611 -1.908 1.00 0.00 C ATOM 1040 CG PHE A 74 3.599 7.411 -0.768 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.979 7.700 -0.649 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.707 7.861 0.216 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.442 8.479 0.425 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.163 8.678 1.255 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.509 9.051 1.304 1.00 0.00 C ATOM 0 H PHE A 74 3.079 7.479 -4.330 1.00 0.00 H new ATOM 0 HA PHE A 74 4.936 5.910 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.226 7.217 -2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.514 5.735 -1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.676 7.322 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.666 7.576 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.500 8.635 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.478 9.020 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.834 9.786 2.025 1.00 0.00 H new ATOM 1054 N ILE A 75 2.737 4.927 -4.751 1.00 0.00 N ATOM 1055 CA ILE A 75 2.275 3.785 -5.509 1.00 0.00 C ATOM 1056 C ILE A 75 3.427 3.131 -6.265 1.00 0.00 C ATOM 1057 O ILE A 75 4.350 3.790 -6.738 1.00 0.00 O ATOM 1058 CB ILE A 75 1.192 4.270 -6.494 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.124 4.268 -5.712 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.078 3.453 -7.793 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.321 4.529 -6.611 1.00 0.00 C ATOM 0 H ILE A 75 2.475 5.822 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 75 1.862 3.037 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 75 1.464 5.263 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.248 3.307 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.084 5.029 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.290 3.872 -8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.026 3.490 -8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.838 2.418 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.233 4.519 -6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.211 5.502 -7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.378 3.754 -7.375 1.00 0.00 H new ATOM 1072 N ILE A 76 3.294 1.821 -6.436 1.00 0.00 N ATOM 1073 CA ILE A 76 4.119 1.008 -7.318 1.00 0.00 C ATOM 1074 C ILE A 76 3.296 0.397 -8.469 1.00 0.00 C ATOM 1075 O ILE A 76 3.861 0.052 -9.507 1.00 0.00 O ATOM 1076 CB ILE A 76 4.856 -0.055 -6.502 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.833 -0.981 -5.837 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.771 0.605 -5.461 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.539 -2.095 -5.068 1.00 0.00 C ATOM 0 H ILE A 76 2.583 1.278 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 76 4.863 1.649 -7.790 1.00 0.00 H new ATOM 0 HB ILE A 76 5.488 -0.649 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.201 -0.407 -5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.178 -1.412 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.287 -0.166 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.504 1.234 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.172 1.217 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.796 -2.743 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.151 -2.680 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.174 -1.659 -4.297 1.00 0.00 H new ATOM 1090 N GLY A 77 1.972 0.247 -8.294 1.00 0.00 N ATOM 1091 CA GLY A 77 1.057 -0.100 -9.380 1.00 0.00 C ATOM 1092 C GLY A 77 -0.287 -0.665 -8.910 1.00 0.00 C ATOM 1093 O GLY A 77 -1.102 0.081 -8.377 1.00 0.00 O ATOM 0 H GLY A 77 1.511 0.364 -7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.874 0.789 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.540 -0.832 -10.028 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.529 -1.964 -9.119 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.825 -2.634 -8.944 1.00 0.00 C ATOM 1099 C GLU A 78 -1.679 -4.014 -8.306 1.00 0.00 C ATOM 1100 O GLU A 78 -0.657 -4.675 -8.452 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.449 -2.847 -10.322 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.128 -1.597 -10.911 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.555 -1.379 -10.416 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -5.169 -2.367 -9.952 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -5.045 -0.237 -10.554 1.00 0.00 O ATOM 0 H GLU A 78 0.202 -2.605 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.435 -2.004 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.674 -3.183 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.185 -3.648 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.530 -0.720 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.139 -1.679 -11.998 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.774 -4.507 -7.734 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.879 -5.832 -7.102 1.00 0.00 C ATOM 1112 C LEU A 79 -3.003 -6.995 -8.070 1.00 0.00 C ATOM 1113 O LEU A 79 -3.353 -8.094 -7.669 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.982 -5.779 -6.023 1.00 0.00 C ATOM 1115 CG LEU A 79 -5.271 -6.613 -6.235 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.203 -7.781 -5.263 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.516 -5.792 -5.915 1.00 0.00 C ATOM 0 H LEU A 79 -3.647 -3.981 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.927 -6.053 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.536 -6.093 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.278 -4.737 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.334 -6.938 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.093 -8.400 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.316 -8.379 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.151 -7.402 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.405 -6.403 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.480 -5.466 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.554 -4.920 -6.568 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.712 -6.756 -9.347 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.971 -7.690 -10.430 1.00 0.00 C ATOM 1130 C HIS A 80 -4.468 -7.898 -10.605 1.00 0.00 C ATOM 1131 O HIS A 80 -5.275 -7.622 -9.711 1.00 0.00 O ATOM 1132 CB HIS A 80 -2.138 -8.951 -10.186 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.837 -9.908 -11.307 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.456 -11.088 -11.624 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.801 -9.752 -12.184 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.901 -11.545 -12.760 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.874 -10.767 -13.136 1.00 0.00 N ATOM 0 H HIS A 80 -2.280 -5.887 -9.660 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.651 -7.301 -11.397 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.181 -8.628 -9.776 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.642 -9.521 -9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.053 -8.974 -12.146 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.236 -12.420 -13.297 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.272 -10.893 -13.950 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.899 -8.265 -11.807 1.00 0.00 N ATOM 1145 CA PRO A 81 -6.259 -8.691 -11.967 1.00 0.00 C ATOM 1146 C PRO A 81 -6.463 -10.112 -11.484 1.00 0.00 C ATOM 1147 O PRO A 81 -7.586 -10.457 -11.129 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.523 -8.599 -13.450 1.00 0.00 C ATOM 1149 CG PRO A 81 -5.155 -8.835 -14.091 1.00 0.00 C ATOM 1150 CD PRO A 81 -4.207 -8.188 -13.086 1.00 0.00 C ATOM 0 HA PRO A 81 -6.939 -8.074 -11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.248 -9.346 -13.772 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.928 -7.624 -13.723 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.945 -9.897 -14.222 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.082 -8.372 -15.075 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.253 -8.713 -13.050 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.992 -7.154 -13.356 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.398 -10.918 -11.404 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.633 -12.366 -11.183 1.00 0.00 C ATOM 1157 C ASP A 82 -5.758 -12.712 -9.687 1.00 0.00 C ATOM 1158 O ASP A 82 -5.450 -13.811 -9.234 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.622 -13.213 -11.976 1.00 0.00 C ATOM 1160 CG ASP A 82 -5.124 -14.611 -12.317 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -6.284 -14.710 -12.768 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -4.305 -15.544 -12.187 1.00 0.00 O ATOM 0 H ASP A 82 -4.423 -10.628 -11.482 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.608 -12.633 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.371 -12.692 -12.900 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.702 -13.298 -11.398 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.202 -11.702 -8.943 1.00 0.00 N ATOM 1167 CA ASP A 83 -6.187 -11.595 -7.507 1.00 0.00 C ATOM 1168 C ASP A 83 -7.384 -10.766 -6.960 1.00 0.00 C ATOM 1169 O ASP A 83 -7.591 -10.641 -5.756 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.863 -10.845 -7.324 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.120 -11.312 -6.091 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.790 -11.593 -5.078 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.879 -11.430 -6.201 1.00 0.00 O ATOM 0 H ASP A 83 -6.613 -10.875 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.271 -12.545 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.237 -10.993 -8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.058 -9.775 -7.248 1.00 0.00 H new ATOM 1177 N ARG A 84 -8.146 -10.151 -7.872 1.00 0.00 N ATOM 1178 CA ARG A 84 -9.147 -9.119 -7.639 1.00 0.00 C ATOM 1179 C ARG A 84 -10.558 -9.607 -7.276 1.00 0.00 C ATOM 1180 O ARG A 84 -11.291 -8.783 -6.683 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.176 -8.328 -8.948 1.00 0.00 C ATOM 1182 CG ARG A 84 -9.570 -6.865 -8.776 1.00 0.00 C ATOM 1183 CD ARG A 84 -9.082 -6.088 -10.001 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.601 -6.017 -10.008 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.871 -4.899 -10.009 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.372 -3.715 -10.329 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.597 -4.940 -9.675 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.907 -10.749 -7.650 1.00 0.00 O ATOM 0 H ARG A 84 -8.069 -10.383 -8.862 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.864 -8.543 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.191 -8.377 -9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.876 -8.805 -9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.651 -6.773 -8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.128 -6.457 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.434 -6.573 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.501 -5.082 -9.993 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.094 -6.902 -10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.355 -3.630 -10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.775 -2.888 -10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.166 -5.827 -9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.042 -4.084 -9.677 1.00 0.00 H new