USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 653 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 THR OG1 : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.12 USER MOD Single : A 3 SER OG : rot -13:sc= 0.883 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.026) USER MOD Single : A 13 GLN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0199 K(o=-0.02,f=-0.86) USER MOD Single : A 28 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-5.1!) USER MOD Single : A 31 GLN : amide:sc= -0.0376 K(o=-0.038,f=-0.72) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.0727 (180deg=-0.445) USER MOD Single : A 43 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.0036) USER MOD Single : A 44 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.744 K(o=-0.74,f=-2.6!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -160:sc= 0.264 USER MOD Single : A 57 SER OG : rot -54:sc= 1.22 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.984 K(o=-0.98,f=-1.5) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -2.68 F(o=-4.6!,f=-2.7) USER MOD Single : A 78 THR OG1 : rot 88:sc= 0.566 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 61:sc= 0.0322 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.336 -45.251 21.510 1.00 0.00 N ATOM 2 CA GLY A 1 22.748 -44.151 22.253 1.00 0.00 C ATOM 3 C GLY A 1 23.667 -42.949 22.333 1.00 0.00 C ATOM 4 O GLY A 1 24.854 -43.086 22.628 1.00 0.00 O ATOM 0 H1 GLY A 1 22.669 -46.048 21.484 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.544 -44.942 20.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.217 -45.552 21.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.811 -43.857 21.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.505 -44.486 23.261 1.00 0.00 H new ATOM 8 N SER A 2 23.119 -41.768 22.069 1.00 0.00 N ATOM 9 CA SER A 2 23.899 -40.536 22.107 1.00 0.00 C ATOM 10 C SER A 2 23.209 -39.482 22.968 1.00 0.00 C ATOM 11 O SER A 2 22.000 -39.542 23.192 1.00 0.00 O ATOM 12 CB SER A 2 24.110 -39.997 20.691 1.00 0.00 C ATOM 13 OG SER A 2 24.145 -38.580 20.685 1.00 0.00 O ATOM 0 H SER A 2 22.137 -41.638 21.826 1.00 0.00 H new ATOM 0 HA SER A 2 24.869 -40.763 22.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.042 -40.389 20.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.307 -40.347 20.042 1.00 0.00 H new ATOM 0 HG SER A 2 24.283 -38.260 19.769 1.00 0.00 H new ATOM 19 N SER A 3 23.987 -38.518 23.448 1.00 0.00 N ATOM 20 CA SER A 3 23.454 -37.452 24.288 1.00 0.00 C ATOM 21 C SER A 3 24.388 -36.246 24.295 1.00 0.00 C ATOM 22 O SER A 3 25.149 -36.041 25.239 1.00 0.00 O ATOM 23 CB SER A 3 23.243 -37.957 25.717 1.00 0.00 C ATOM 24 OG SER A 3 22.288 -39.002 25.753 1.00 0.00 O ATOM 0 H SER A 3 24.989 -38.453 23.270 1.00 0.00 H new ATOM 0 HA SER A 3 22.494 -37.143 23.874 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.190 -38.311 26.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.911 -37.135 26.351 1.00 0.00 H new ATOM 0 HG SER A 3 21.811 -39.039 24.898 1.00 0.00 H new ATOM 30 N GLY A 4 24.324 -35.450 23.232 1.00 0.00 N ATOM 31 CA GLY A 4 25.169 -34.274 23.134 1.00 0.00 C ATOM 32 C GLY A 4 24.681 -33.135 24.006 1.00 0.00 C ATOM 33 O GLY A 4 23.659 -33.256 24.683 1.00 0.00 O ATOM 0 H GLY A 4 23.702 -35.598 22.437 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.187 -34.537 23.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.206 -33.943 22.096 1.00 0.00 H new ATOM 37 N SER A 5 25.412 -32.025 23.993 1.00 0.00 N ATOM 38 CA SER A 5 25.050 -30.861 24.793 1.00 0.00 C ATOM 39 C SER A 5 25.079 -29.591 23.949 1.00 0.00 C ATOM 40 O SER A 5 25.897 -29.455 23.040 1.00 0.00 O ATOM 41 CB SER A 5 26.002 -30.718 25.982 1.00 0.00 C ATOM 42 OG SER A 5 27.347 -30.926 25.587 1.00 0.00 O ATOM 0 H SER A 5 26.259 -31.907 23.437 1.00 0.00 H new ATOM 0 HA SER A 5 24.035 -31.007 25.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.897 -29.725 26.418 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.732 -31.436 26.756 1.00 0.00 H new ATOM 0 HG SER A 5 27.935 -30.827 26.365 1.00 0.00 H new ATOM 48 N SER A 6 24.178 -28.663 24.257 1.00 0.00 N ATOM 49 CA SER A 6 24.096 -27.405 23.524 1.00 0.00 C ATOM 50 C SER A 6 23.731 -26.255 24.459 1.00 0.00 C ATOM 51 O SER A 6 23.091 -26.458 25.490 1.00 0.00 O ATOM 52 CB SER A 6 23.064 -27.511 22.400 1.00 0.00 C ATOM 53 OG SER A 6 21.764 -27.198 22.870 1.00 0.00 O ATOM 0 H SER A 6 23.495 -28.759 25.009 1.00 0.00 H new ATOM 0 HA SER A 6 25.075 -27.201 23.090 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.334 -26.834 21.589 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.072 -28.520 21.989 1.00 0.00 H new ATOM 0 HG SER A 6 21.123 -27.271 22.132 1.00 0.00 H new ATOM 59 N GLY A 7 24.143 -25.046 24.089 1.00 0.00 N ATOM 60 CA GLY A 7 23.851 -23.882 24.904 1.00 0.00 C ATOM 61 C GLY A 7 24.684 -22.677 24.514 1.00 0.00 C ATOM 62 O GLY A 7 25.816 -22.522 24.974 1.00 0.00 O ATOM 0 H GLY A 7 24.674 -24.852 23.240 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.794 -23.634 24.812 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.032 -24.121 25.952 1.00 0.00 H new ATOM 66 N ILE A 8 24.125 -21.824 23.663 1.00 0.00 N ATOM 67 CA ILE A 8 24.825 -20.628 23.210 1.00 0.00 C ATOM 68 C ILE A 8 23.864 -19.454 23.054 1.00 0.00 C ATOM 69 O ILE A 8 22.939 -19.498 22.243 1.00 0.00 O ATOM 70 CB ILE A 8 25.545 -20.869 21.870 1.00 0.00 C ATOM 71 CG1 ILE A 8 26.486 -22.070 21.981 1.00 0.00 C ATOM 72 CG2 ILE A 8 26.311 -19.625 21.449 1.00 0.00 C ATOM 73 CD1 ILE A 8 27.206 -22.395 20.691 1.00 0.00 C ATOM 0 H ILE A 8 23.189 -21.938 23.273 1.00 0.00 H new ATOM 0 HA ILE A 8 25.566 -20.389 23.973 1.00 0.00 H new ATOM 0 HB ILE A 8 24.798 -21.086 21.107 1.00 0.00 H new ATOM 0 HG12 ILE A 8 27.223 -21.873 22.759 1.00 0.00 H new ATOM 0 HG13 ILE A 8 25.913 -22.942 22.298 1.00 0.00 H new ATOM 0 HG21 ILE A 8 26.814 -19.811 20.500 1.00 0.00 H new ATOM 0 HG22 ILE A 8 25.617 -18.792 21.334 1.00 0.00 H new ATOM 0 HG23 ILE A 8 27.051 -19.379 22.210 1.00 0.00 H new ATOM 0 HD11 ILE A 8 27.855 -23.257 20.844 1.00 0.00 H new ATOM 0 HD12 ILE A 8 26.476 -22.624 19.915 1.00 0.00 H new ATOM 0 HD13 ILE A 8 27.806 -21.539 20.384 1.00 0.00 H new ATOM 85 N LYS A 9 24.090 -18.404 23.836 1.00 0.00 N ATOM 86 CA LYS A 9 23.246 -17.216 23.784 1.00 0.00 C ATOM 87 C LYS A 9 23.892 -16.127 22.932 1.00 0.00 C ATOM 88 O LYS A 9 25.054 -16.238 22.545 1.00 0.00 O ATOM 89 CB LYS A 9 22.988 -16.686 25.197 1.00 0.00 C ATOM 90 CG LYS A 9 21.615 -17.043 25.739 1.00 0.00 C ATOM 91 CD LYS A 9 21.452 -18.546 25.899 1.00 0.00 C ATOM 92 CE LYS A 9 20.135 -19.029 25.311 1.00 0.00 C ATOM 93 NZ LYS A 9 19.028 -18.965 26.304 1.00 0.00 N ATOM 0 H LYS A 9 24.851 -18.351 24.513 1.00 0.00 H new ATOM 0 HA LYS A 9 22.296 -17.495 23.328 1.00 0.00 H new ATOM 0 HB2 LYS A 9 23.749 -17.082 25.869 1.00 0.00 H new ATOM 0 HB3 LYS A 9 23.098 -15.602 25.195 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.465 -16.555 26.702 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.847 -16.662 25.066 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.280 -19.057 25.408 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.498 -18.808 26.956 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.880 -18.421 24.443 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.249 -20.054 24.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.148 -19.302 25.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.259 -19.565 27.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.902 -17.982 26.621 1.00 0.00 H new ATOM 107 N GLU A 10 23.129 -15.077 22.645 1.00 0.00 N ATOM 108 CA GLU A 10 23.629 -13.969 21.839 1.00 0.00 C ATOM 109 C GLU A 10 23.576 -12.660 22.622 1.00 0.00 C ATOM 110 O GLU A 10 22.858 -12.546 23.615 1.00 0.00 O ATOM 111 CB GLU A 10 22.814 -13.839 20.551 1.00 0.00 C ATOM 112 CG GLU A 10 23.494 -12.998 19.483 1.00 0.00 C ATOM 113 CD GLU A 10 23.396 -13.617 18.102 1.00 0.00 C ATOM 114 OE1 GLU A 10 22.320 -14.156 17.768 1.00 0.00 O ATOM 115 OE2 GLU A 10 24.395 -13.563 17.356 1.00 0.00 O ATOM 0 H GLU A 10 22.164 -14.970 22.958 1.00 0.00 H new ATOM 0 HA GLU A 10 24.668 -14.178 21.584 1.00 0.00 H new ATOM 0 HB2 GLU A 10 22.622 -14.834 20.150 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.845 -13.398 20.787 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.043 -12.006 19.465 1.00 0.00 H new ATOM 0 HG3 GLU A 10 24.544 -12.866 19.744 1.00 0.00 H new ATOM 122 N VAL A 11 24.343 -11.674 22.167 1.00 0.00 N ATOM 123 CA VAL A 11 24.385 -10.373 22.823 1.00 0.00 C ATOM 124 C VAL A 11 23.831 -9.281 21.914 1.00 0.00 C ATOM 125 O VAL A 11 24.108 -9.258 20.716 1.00 0.00 O ATOM 126 CB VAL A 11 25.820 -9.999 23.240 1.00 0.00 C ATOM 127 CG1 VAL A 11 26.691 -9.777 22.013 1.00 0.00 C ATOM 128 CG2 VAL A 11 25.812 -8.765 24.128 1.00 0.00 C ATOM 0 H VAL A 11 24.944 -11.752 21.346 1.00 0.00 H new ATOM 0 HA VAL A 11 23.764 -10.449 23.716 1.00 0.00 H new ATOM 0 HB VAL A 11 26.241 -10.826 23.811 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.701 -9.514 22.327 1.00 0.00 H new ATOM 0 HG12 VAL A 11 26.722 -10.690 21.419 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.275 -8.968 21.413 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.834 -8.515 24.413 1.00 0.00 H new ATOM 0 HG22 VAL A 11 25.372 -7.929 23.585 1.00 0.00 H new ATOM 0 HG23 VAL A 11 25.224 -8.965 25.024 1.00 0.00 H new ATOM 138 N ASN A 12 23.046 -8.378 22.493 1.00 0.00 N ATOM 139 CA ASN A 12 22.453 -7.283 21.735 1.00 0.00 C ATOM 140 C ASN A 12 21.744 -6.300 22.662 1.00 0.00 C ATOM 141 O ASN A 12 21.083 -6.702 23.619 1.00 0.00 O ATOM 142 CB ASN A 12 21.465 -7.827 20.700 1.00 0.00 C ATOM 143 CG ASN A 12 20.179 -8.322 21.333 1.00 0.00 C ATOM 144 OD1 ASN A 12 20.089 -9.470 21.767 1.00 0.00 O ATOM 145 ND2 ASN A 12 19.175 -7.454 21.388 1.00 0.00 N ATOM 0 H ASN A 12 22.806 -8.383 23.484 1.00 0.00 H new ATOM 0 HA ASN A 12 23.256 -6.755 21.220 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.233 -7.045 19.977 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.933 -8.643 20.149 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.285 -7.730 21.803 1.00 0.00 H new ATOM 0 HD22 ASN A 12 19.294 -6.512 21.016 1.00 0.00 H new ATOM 152 N GLN A 13 21.888 -5.011 22.371 1.00 0.00 N ATOM 153 CA GLN A 13 21.262 -3.972 23.179 1.00 0.00 C ATOM 154 C GLN A 13 20.791 -2.813 22.306 1.00 0.00 C ATOM 155 O GLN A 13 21.070 -2.773 21.108 1.00 0.00 O ATOM 156 CB GLN A 13 22.240 -3.462 24.239 1.00 0.00 C ATOM 157 CG GLN A 13 23.590 -3.050 23.673 1.00 0.00 C ATOM 158 CD GLN A 13 23.910 -1.590 23.932 1.00 0.00 C ATOM 159 OE1 GLN A 13 24.803 -1.268 24.715 1.00 0.00 O ATOM 160 NE2 GLN A 13 23.180 -0.698 23.273 1.00 0.00 N ATOM 0 H GLN A 13 22.432 -4.662 21.582 1.00 0.00 H new ATOM 0 HA GLN A 13 20.394 -4.406 23.674 1.00 0.00 H new ATOM 0 HB2 GLN A 13 21.795 -2.609 24.752 1.00 0.00 H new ATOM 0 HB3 GLN A 13 22.391 -4.241 24.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 24.369 -3.672 24.113 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.602 -3.236 22.599 1.00 0.00 H new ATOM 0 HE21 GLN A 13 22.449 -1.010 22.633 1.00 0.00 H new ATOM 0 HE22 GLN A 13 23.350 0.299 23.407 1.00 0.00 H new ATOM 169 N ALA A 14 20.076 -1.873 22.914 1.00 0.00 N ATOM 170 CA ALA A 14 19.567 -0.713 22.193 1.00 0.00 C ATOM 171 C ALA A 14 18.938 0.295 23.148 1.00 0.00 C ATOM 172 O ALA A 14 18.141 -0.067 24.014 1.00 0.00 O ATOM 173 CB ALA A 14 18.557 -1.147 21.141 1.00 0.00 C ATOM 0 H ALA A 14 19.836 -1.892 23.905 1.00 0.00 H new ATOM 0 HA ALA A 14 20.407 -0.228 21.696 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.185 -0.271 20.610 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.037 -1.823 20.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 17.725 -1.658 21.625 1.00 0.00 H new ATOM 179 N LEU A 15 19.303 1.563 22.987 1.00 0.00 N ATOM 180 CA LEU A 15 18.775 2.625 23.836 1.00 0.00 C ATOM 181 C LEU A 15 18.287 3.801 22.996 1.00 0.00 C ATOM 182 O LEU A 15 18.846 4.896 23.058 1.00 0.00 O ATOM 183 CB LEU A 15 19.846 3.096 24.822 1.00 0.00 C ATOM 184 CG LEU A 15 20.435 2.022 25.736 1.00 0.00 C ATOM 185 CD1 LEU A 15 21.579 2.592 26.561 1.00 0.00 C ATOM 186 CD2 LEU A 15 19.358 1.444 26.643 1.00 0.00 C ATOM 0 H LEU A 15 19.962 1.880 22.276 1.00 0.00 H new ATOM 0 HA LEU A 15 17.928 2.225 24.393 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.660 3.548 24.255 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.417 3.880 25.446 1.00 0.00 H new ATOM 0 HG LEU A 15 20.828 1.218 25.114 1.00 0.00 H new ATOM 0 HD11 LEU A 15 21.986 1.813 27.206 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.361 2.957 25.895 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.211 3.415 27.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.795 0.681 27.287 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.935 2.239 27.258 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.571 0.998 26.035 1.00 0.00 H new ATOM 198 N LYS A 16 17.239 3.568 22.213 1.00 0.00 N ATOM 199 CA LYS A 16 16.672 4.608 21.363 1.00 0.00 C ATOM 200 C LYS A 16 15.174 4.396 21.168 1.00 0.00 C ATOM 201 O LYS A 16 14.697 3.262 21.141 1.00 0.00 O ATOM 202 CB LYS A 16 17.377 4.626 20.005 1.00 0.00 C ATOM 203 CG LYS A 16 17.190 3.348 19.206 1.00 0.00 C ATOM 204 CD LYS A 16 16.151 3.521 18.111 1.00 0.00 C ATOM 205 CE LYS A 16 16.485 2.680 16.888 1.00 0.00 C ATOM 206 NZ LYS A 16 17.161 3.481 15.831 1.00 0.00 N ATOM 0 H LYS A 16 16.765 2.667 22.150 1.00 0.00 H new ATOM 0 HA LYS A 16 16.823 5.568 21.857 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.003 5.467 19.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.443 4.795 20.160 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.141 3.053 18.763 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.885 2.542 19.874 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.169 3.238 18.491 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.092 4.572 17.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.128 1.851 17.182 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.570 2.246 16.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.372 2.872 15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.537 4.257 15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.047 3.874 16.207 1.00 0.00 H new ATOM 220 N GLY A 17 14.438 5.494 21.032 1.00 0.00 N ATOM 221 CA GLY A 17 13.002 5.405 20.840 1.00 0.00 C ATOM 222 C GLY A 17 12.478 6.464 19.890 1.00 0.00 C ATOM 223 O GLY A 17 12.725 7.655 20.080 1.00 0.00 O ATOM 0 H GLY A 17 14.810 6.444 21.051 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.751 4.418 20.453 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.503 5.506 21.804 1.00 0.00 H new ATOM 227 N HIS A 18 11.752 6.030 18.864 1.00 0.00 N ATOM 228 CA HIS A 18 11.193 6.949 17.880 1.00 0.00 C ATOM 229 C HIS A 18 10.185 7.892 18.530 1.00 0.00 C ATOM 230 O HIS A 18 10.022 7.897 19.750 1.00 0.00 O ATOM 231 CB HIS A 18 10.523 6.171 16.747 1.00 0.00 C ATOM 232 CG HIS A 18 9.230 5.529 17.144 1.00 0.00 C ATOM 233 ND1 HIS A 18 9.120 4.642 18.194 1.00 0.00 N ATOM 234 CD2 HIS A 18 7.985 5.651 16.625 1.00 0.00 C ATOM 235 CE1 HIS A 18 7.865 4.245 18.303 1.00 0.00 C ATOM 236 NE2 HIS A 18 7.156 4.843 17.363 1.00 0.00 N ATOM 0 H HIS A 18 11.537 5.048 18.693 1.00 0.00 H new ATOM 0 HA HIS A 18 12.009 7.543 17.469 1.00 0.00 H new ATOM 0 HB2 HIS A 18 10.342 6.847 15.911 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.208 5.401 16.392 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.698 6.269 15.787 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.484 3.550 19.036 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.155 4.724 17.210 1.00 0.00 H new ATOM 244 N ALA A 19 9.512 8.690 17.707 1.00 0.00 N ATOM 245 CA ALA A 19 8.520 9.636 18.201 1.00 0.00 C ATOM 246 C ALA A 19 7.119 9.258 17.733 1.00 0.00 C ATOM 247 O ALA A 19 6.854 9.183 16.533 1.00 0.00 O ATOM 248 CB ALA A 19 8.866 11.048 17.750 1.00 0.00 C ATOM 0 H ALA A 19 9.636 8.700 16.695 1.00 0.00 H new ATOM 0 HA ALA A 19 8.532 9.601 19.290 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.116 11.744 18.126 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.846 11.324 18.139 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.884 11.088 16.661 1.00 0.00 H new ATOM 254 N TRP A 20 6.226 9.019 18.687 1.00 0.00 N ATOM 255 CA TRP A 20 4.851 8.647 18.371 1.00 0.00 C ATOM 256 C TRP A 20 3.882 9.751 18.778 1.00 0.00 C ATOM 257 O TRP A 20 2.688 9.507 18.961 1.00 0.00 O ATOM 258 CB TRP A 20 4.480 7.341 19.074 1.00 0.00 C ATOM 259 CG TRP A 20 4.875 7.312 20.520 1.00 0.00 C ATOM 260 CD1 TRP A 20 6.100 6.989 21.029 1.00 0.00 C ATOM 261 CD2 TRP A 20 4.040 7.617 21.643 1.00 0.00 C ATOM 262 NE1 TRP A 20 6.077 7.074 22.400 1.00 0.00 N ATOM 263 CE2 TRP A 20 4.825 7.458 22.801 1.00 0.00 C ATOM 264 CE3 TRP A 20 2.706 8.010 21.782 1.00 0.00 C ATOM 265 CZ2 TRP A 20 4.319 7.678 24.079 1.00 0.00 C ATOM 266 CZ3 TRP A 20 2.205 8.227 23.051 1.00 0.00 C ATOM 267 CH2 TRP A 20 3.009 8.062 24.186 1.00 0.00 C ATOM 0 H TRP A 20 6.429 9.076 19.685 1.00 0.00 H new ATOM 0 HA TRP A 20 4.778 8.504 17.293 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.404 7.187 18.996 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.959 6.510 18.557 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.961 6.708 20.440 1.00 0.00 H new ATOM 0 HE1 TRP A 20 6.865 6.882 23.019 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.078 8.142 20.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 4.938 7.550 24.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 1.175 8.529 23.170 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.588 8.241 25.164 1.00 0.00 H new ATOM 278 N LEU A 21 4.400 10.967 18.917 1.00 0.00 N ATOM 279 CA LEU A 21 3.579 12.109 19.302 1.00 0.00 C ATOM 280 C LEU A 21 3.229 12.962 18.087 1.00 0.00 C ATOM 281 O LEU A 21 3.072 14.179 18.193 1.00 0.00 O ATOM 282 CB LEU A 21 4.309 12.960 20.343 1.00 0.00 C ATOM 283 CG LEU A 21 4.491 12.324 21.721 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.686 12.934 22.438 1.00 0.00 C ATOM 285 CD2 LEU A 21 3.227 12.486 22.554 1.00 0.00 C ATOM 0 H LEU A 21 5.385 11.187 18.769 1.00 0.00 H new ATOM 0 HA LEU A 21 2.654 11.730 19.736 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.293 13.215 19.950 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.763 13.895 20.466 1.00 0.00 H new ATOM 0 HG LEU A 21 4.680 11.259 21.586 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.799 12.469 23.417 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.588 12.766 21.850 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.528 14.005 22.562 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.374 12.027 23.532 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.008 13.546 22.680 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.393 12.000 22.048 1.00 0.00 H new ATOM 297 N LYS A 22 3.106 12.316 16.932 1.00 0.00 N ATOM 298 CA LYS A 22 2.771 13.013 15.696 1.00 0.00 C ATOM 299 C LYS A 22 1.893 12.143 14.802 1.00 0.00 C ATOM 300 O LYS A 22 2.370 11.189 14.187 1.00 0.00 O ATOM 301 CB LYS A 22 4.045 13.409 14.948 1.00 0.00 C ATOM 302 CG LYS A 22 4.273 14.910 14.886 1.00 0.00 C ATOM 303 CD LYS A 22 5.719 15.267 15.185 1.00 0.00 C ATOM 304 CE LYS A 22 6.280 16.230 14.150 1.00 0.00 C ATOM 305 NZ LYS A 22 7.255 15.563 13.243 1.00 0.00 N ATOM 0 H LYS A 22 3.234 11.310 16.826 1.00 0.00 H new ATOM 0 HA LYS A 22 2.215 13.914 15.955 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.901 12.940 15.432 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.998 13.015 13.933 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.003 15.279 13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.619 15.408 15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.787 15.716 16.176 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.323 14.360 15.204 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.463 16.647 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.766 17.064 14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.614 16.252 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.048 15.187 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.785 14.783 12.741 1.00 0.00 H new ATOM 319 N ASP A 23 0.610 12.480 14.733 1.00 0.00 N ATOM 320 CA ASP A 23 -0.334 11.731 13.912 1.00 0.00 C ATOM 321 C ASP A 23 -1.125 12.666 13.003 1.00 0.00 C ATOM 322 O ASP A 23 -2.252 12.362 12.612 1.00 0.00 O ATOM 323 CB ASP A 23 -1.291 10.930 14.797 1.00 0.00 C ATOM 324 CG ASP A 23 -1.903 9.750 14.068 1.00 0.00 C ATOM 325 OD1 ASP A 23 -1.295 9.280 13.085 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.992 9.298 14.481 1.00 0.00 O ATOM 0 H ASP A 23 0.200 13.267 15.236 1.00 0.00 H new ATOM 0 HA ASP A 23 0.234 11.041 13.288 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.755 10.572 15.676 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.086 11.585 15.153 1.00 0.00 H new ATOM 331 N ASP A 24 -0.528 13.806 12.672 1.00 0.00 N ATOM 332 CA ASP A 24 -1.177 14.787 11.810 1.00 0.00 C ATOM 333 C ASP A 24 -0.412 14.949 10.500 1.00 0.00 C ATOM 334 O ASP A 24 -1.010 15.039 9.428 1.00 0.00 O ATOM 335 CB ASP A 24 -1.281 16.136 12.523 1.00 0.00 C ATOM 336 CG ASP A 24 -2.293 16.116 13.652 1.00 0.00 C ATOM 337 OD1 ASP A 24 -3.443 15.691 13.412 1.00 0.00 O ATOM 338 OD2 ASP A 24 -1.935 16.526 14.776 1.00 0.00 O ATOM 0 H ASP A 24 0.404 14.073 12.988 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.180 14.427 11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.304 16.411 12.920 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.560 16.904 11.802 1.00 0.00 H new ATOM 343 N GLU A 25 0.914 14.985 10.595 1.00 0.00 N ATOM 344 CA GLU A 25 1.759 15.138 9.417 1.00 0.00 C ATOM 345 C GLU A 25 2.142 13.777 8.842 1.00 0.00 C ATOM 346 O GLU A 25 2.409 13.649 7.647 1.00 0.00 O ATOM 347 CB GLU A 25 3.021 15.929 9.767 1.00 0.00 C ATOM 348 CG GLU A 25 3.059 17.318 9.152 1.00 0.00 C ATOM 349 CD GLU A 25 3.511 17.304 7.705 1.00 0.00 C ATOM 350 OE1 GLU A 25 2.896 16.577 6.898 1.00 0.00 O ATOM 351 OE2 GLU A 25 4.482 18.020 7.381 1.00 0.00 O ATOM 0 H GLU A 25 1.425 14.910 11.475 1.00 0.00 H new ATOM 0 HA GLU A 25 1.193 15.685 8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.095 16.019 10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.895 15.369 9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.067 17.766 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.731 17.950 9.732 1.00 0.00 H new ATOM 358 N ALA A 26 2.167 12.764 9.701 1.00 0.00 N ATOM 359 CA ALA A 26 2.515 11.413 9.279 1.00 0.00 C ATOM 360 C ALA A 26 3.927 11.364 8.705 1.00 0.00 C ATOM 361 O ALA A 26 4.113 11.355 7.487 1.00 0.00 O ATOM 362 CB ALA A 26 1.509 10.903 8.257 1.00 0.00 C ATOM 0 H ALA A 26 1.950 12.853 10.694 1.00 0.00 H new ATOM 0 HA ALA A 26 2.485 10.766 10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.782 9.893 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.514 10.891 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.511 11.559 7.386 1.00 0.00 H new ATOM 368 N THR A 27 4.920 11.332 9.588 1.00 0.00 N ATOM 369 CA THR A 27 6.315 11.286 9.169 1.00 0.00 C ATOM 370 C THR A 27 6.767 9.851 8.921 1.00 0.00 C ATOM 371 O THR A 27 7.698 9.608 8.153 1.00 0.00 O ATOM 372 CB THR A 27 7.239 11.929 10.220 1.00 0.00 C ATOM 373 OG1 THR A 27 6.517 12.912 10.971 1.00 0.00 O ATOM 374 CG2 THR A 27 8.445 12.575 9.557 1.00 0.00 C ATOM 0 H THR A 27 4.784 11.337 10.599 1.00 0.00 H new ATOM 0 HA THR A 27 6.385 11.852 8.240 1.00 0.00 H new ATOM 0 HB THR A 27 7.590 11.145 10.891 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.886 12.967 11.877 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.083 13.022 10.319 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.008 11.819 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.109 13.348 8.865 1.00 0.00 H new ATOM 382 N HIS A 28 6.102 8.904 9.575 1.00 0.00 N ATOM 383 CA HIS A 28 6.435 7.492 9.423 1.00 0.00 C ATOM 384 C HIS A 28 5.172 6.647 9.289 1.00 0.00 C ATOM 385 O HIS A 28 4.107 7.021 9.781 1.00 0.00 O ATOM 386 CB HIS A 28 7.261 7.011 10.617 1.00 0.00 C ATOM 387 CG HIS A 28 8.668 7.524 10.618 1.00 0.00 C ATOM 388 ND1 HIS A 28 8.981 8.862 10.733 1.00 0.00 N ATOM 389 CD2 HIS A 28 9.848 6.870 10.518 1.00 0.00 C ATOM 390 CE1 HIS A 28 10.294 9.008 10.702 1.00 0.00 C ATOM 391 NE2 HIS A 28 10.844 7.814 10.573 1.00 0.00 N ATOM 0 H HIS A 28 5.330 9.089 10.215 1.00 0.00 H new ATOM 0 HA HIS A 28 7.024 7.378 8.513 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.769 7.323 11.538 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.280 5.921 10.619 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.982 5.803 10.414 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.827 9.945 10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.845 7.624 10.522 1.00 0.00 H new ATOM 399 N CYS A 29 5.298 5.507 8.619 1.00 0.00 N ATOM 400 CA CYS A 29 4.167 4.609 8.418 1.00 0.00 C ATOM 401 C CYS A 29 3.518 4.245 9.750 1.00 0.00 C ATOM 402 O CYS A 29 4.138 4.363 10.807 1.00 0.00 O ATOM 403 CB CYS A 29 4.620 3.339 7.695 1.00 0.00 C ATOM 404 SG CYS A 29 3.273 2.437 6.863 1.00 0.00 S ATOM 0 H CYS A 29 6.172 5.183 8.206 1.00 0.00 H new ATOM 0 HA CYS A 29 3.429 5.126 7.804 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.376 3.604 6.956 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.098 2.674 8.415 1.00 0.00 H new ATOM 409 N ARG A 30 2.266 3.802 9.691 1.00 0.00 N ATOM 410 CA ARG A 30 1.533 3.422 10.892 1.00 0.00 C ATOM 411 C ARG A 30 1.371 1.907 10.974 1.00 0.00 C ATOM 412 O ARG A 30 0.430 1.407 11.589 1.00 0.00 O ATOM 413 CB ARG A 30 0.158 4.094 10.910 1.00 0.00 C ATOM 414 CG ARG A 30 -0.137 4.843 12.199 1.00 0.00 C ATOM 415 CD ARG A 30 0.551 6.199 12.226 1.00 0.00 C ATOM 416 NE ARG A 30 0.363 6.883 13.503 1.00 0.00 N ATOM 417 CZ ARG A 30 0.999 6.545 14.619 1.00 0.00 C ATOM 418 NH1 ARG A 30 1.861 5.537 14.615 1.00 0.00 N ATOM 419 NH2 ARG A 30 0.775 7.216 15.741 1.00 0.00 N ATOM 0 H ARG A 30 1.739 3.698 8.824 1.00 0.00 H new ATOM 0 HA ARG A 30 2.105 3.756 11.757 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.092 4.789 10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.610 3.336 10.757 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.213 4.978 12.304 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.195 4.249 13.050 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.617 6.069 12.038 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.159 6.820 11.421 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.293 7.663 13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.037 5.020 13.754 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.348 5.279 15.473 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.114 7.993 15.747 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.264 6.955 16.597 1.00 0.00 H new ATOM 433 N GLN A 31 2.296 1.184 10.351 1.00 0.00 N ATOM 434 CA GLN A 31 2.255 -0.273 10.353 1.00 0.00 C ATOM 435 C GLN A 31 3.663 -0.858 10.354 1.00 0.00 C ATOM 436 O GLN A 31 4.016 -1.654 11.224 1.00 0.00 O ATOM 437 CB GLN A 31 1.479 -0.784 9.137 1.00 0.00 C ATOM 438 CG GLN A 31 1.377 -2.299 9.074 1.00 0.00 C ATOM 439 CD GLN A 31 0.273 -2.772 8.147 1.00 0.00 C ATOM 440 OE1 GLN A 31 -0.819 -2.204 8.124 1.00 0.00 O ATOM 441 NE2 GLN A 31 0.554 -3.816 7.377 1.00 0.00 N ATOM 0 H GLN A 31 3.082 1.583 9.839 1.00 0.00 H new ATOM 0 HA GLN A 31 1.747 -0.595 11.262 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.475 -0.361 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.963 -0.423 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.329 -2.710 8.738 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.197 -2.689 10.076 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.473 -4.256 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.149 -4.179 6.733 1.00 0.00 H new ATOM 450 N CYS A 32 4.465 -0.457 9.373 1.00 0.00 N ATOM 451 CA CYS A 32 5.836 -0.941 9.259 1.00 0.00 C ATOM 452 C CYS A 32 6.798 -0.033 10.020 1.00 0.00 C ATOM 453 O CYS A 32 7.889 -0.453 10.405 1.00 0.00 O ATOM 454 CB CYS A 32 6.250 -1.023 7.789 1.00 0.00 C ATOM 455 SG CYS A 32 6.504 0.597 6.996 1.00 0.00 S ATOM 0 H CYS A 32 4.189 0.202 8.645 1.00 0.00 H new ATOM 0 HA CYS A 32 5.881 -1.938 9.698 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.171 -1.601 7.714 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.485 -1.570 7.237 1.00 0.00 H new ATOM 460 N GLU A 33 6.385 1.212 10.233 1.00 0.00 N ATOM 461 CA GLU A 33 7.210 2.179 10.947 1.00 0.00 C ATOM 462 C GLU A 33 8.545 2.385 10.236 1.00 0.00 C ATOM 463 O GLU A 33 9.605 2.067 10.775 1.00 0.00 O ATOM 464 CB GLU A 33 7.453 1.713 12.384 1.00 0.00 C ATOM 465 CG GLU A 33 6.366 2.142 13.355 1.00 0.00 C ATOM 466 CD GLU A 33 6.549 3.566 13.844 1.00 0.00 C ATOM 467 OE1 GLU A 33 7.613 4.156 13.563 1.00 0.00 O ATOM 468 OE2 GLU A 33 5.629 4.089 14.507 1.00 0.00 O ATOM 0 H GLU A 33 5.484 1.575 9.921 1.00 0.00 H new ATOM 0 HA GLU A 33 6.677 3.129 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.531 0.626 12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.410 2.105 12.727 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.394 2.050 12.870 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.360 1.466 14.210 1.00 0.00 H new ATOM 475 N LYS A 34 8.484 2.920 9.021 1.00 0.00 N ATOM 476 CA LYS A 34 9.686 3.171 8.234 1.00 0.00 C ATOM 477 C LYS A 34 9.693 4.596 7.691 1.00 0.00 C ATOM 478 O LYS A 34 8.703 5.059 7.126 1.00 0.00 O ATOM 479 CB LYS A 34 9.780 2.173 7.078 1.00 0.00 C ATOM 480 CG LYS A 34 10.147 0.766 7.517 1.00 0.00 C ATOM 481 CD LYS A 34 11.395 0.268 6.807 1.00 0.00 C ATOM 482 CE LYS A 34 11.048 -0.479 5.528 1.00 0.00 C ATOM 483 NZ LYS A 34 10.816 -1.929 5.778 1.00 0.00 N ATOM 0 H LYS A 34 7.615 3.188 8.560 1.00 0.00 H new ATOM 0 HA LYS A 34 10.550 3.045 8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.824 2.144 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.523 2.527 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.310 0.751 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.316 0.091 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.043 1.113 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.956 -0.388 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.156 -0.040 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.857 -0.360 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.582 -2.403 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.676 -2.354 6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.028 -2.044 6.446 1.00 0.00 H new ATOM 497 N GLU A 35 10.816 5.286 7.865 1.00 0.00 N ATOM 498 CA GLU A 35 10.951 6.658 7.391 1.00 0.00 C ATOM 499 C GLU A 35 10.570 6.764 5.918 1.00 0.00 C ATOM 500 O GLU A 35 11.173 6.118 5.061 1.00 0.00 O ATOM 501 CB GLU A 35 12.384 7.154 7.596 1.00 0.00 C ATOM 502 CG GLU A 35 12.492 8.663 7.735 1.00 0.00 C ATOM 503 CD GLU A 35 13.790 9.209 7.172 1.00 0.00 C ATOM 504 OE1 GLU A 35 14.849 8.597 7.426 1.00 0.00 O ATOM 505 OE2 GLU A 35 13.747 10.246 6.479 1.00 0.00 O ATOM 0 H GLU A 35 11.645 4.917 8.331 1.00 0.00 H new ATOM 0 HA GLU A 35 10.272 7.284 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.798 6.685 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.995 6.831 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.652 9.132 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.415 8.934 8.788 1.00 0.00 H new ATOM 512 N PHE A 36 9.564 7.584 5.630 1.00 0.00 N ATOM 513 CA PHE A 36 9.100 7.775 4.261 1.00 0.00 C ATOM 514 C PHE A 36 10.197 8.388 3.396 1.00 0.00 C ATOM 515 O PHE A 36 10.813 9.386 3.770 1.00 0.00 O ATOM 516 CB PHE A 36 7.859 8.669 4.240 1.00 0.00 C ATOM 517 CG PHE A 36 6.591 7.944 4.589 1.00 0.00 C ATOM 518 CD1 PHE A 36 6.106 6.936 3.771 1.00 0.00 C ATOM 519 CD2 PHE A 36 5.885 8.269 5.736 1.00 0.00 C ATOM 520 CE1 PHE A 36 4.940 6.266 4.090 1.00 0.00 C ATOM 521 CE2 PHE A 36 4.718 7.602 6.060 1.00 0.00 C ATOM 522 CZ PHE A 36 4.244 6.601 5.235 1.00 0.00 C ATOM 0 H PHE A 36 9.055 8.127 6.327 1.00 0.00 H new ATOM 0 HA PHE A 36 8.842 6.798 3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.002 9.492 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.755 9.109 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.645 6.671 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.250 9.052 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.574 5.481 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.177 7.864 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.331 6.081 5.485 1.00 0.00 H new ATOM 532 N SER A 37 10.437 7.782 2.237 1.00 0.00 N ATOM 533 CA SER A 37 11.462 8.264 1.320 1.00 0.00 C ATOM 534 C SER A 37 10.868 8.555 -0.055 1.00 0.00 C ATOM 535 O SER A 37 9.744 8.151 -0.355 1.00 0.00 O ATOM 536 CB SER A 37 12.589 7.237 1.195 1.00 0.00 C ATOM 537 OG SER A 37 13.776 7.838 0.706 1.00 0.00 O ATOM 0 H SER A 37 9.935 6.956 1.911 1.00 0.00 H new ATOM 0 HA SER A 37 11.869 9.191 1.724 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.781 6.784 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.281 6.435 0.524 1.00 0.00 H new ATOM 0 HG SER A 37 14.481 7.161 0.637 1.00 0.00 H new ATOM 543 N ILE A 38 11.632 9.256 -0.886 1.00 0.00 N ATOM 544 CA ILE A 38 11.182 9.600 -2.230 1.00 0.00 C ATOM 545 C ILE A 38 10.704 8.363 -2.982 1.00 0.00 C ATOM 546 O ILE A 38 9.643 8.375 -3.607 1.00 0.00 O ATOM 547 CB ILE A 38 12.301 10.280 -3.041 1.00 0.00 C ATOM 548 CG1 ILE A 38 12.785 11.542 -2.324 1.00 0.00 C ATOM 549 CG2 ILE A 38 11.810 10.615 -4.442 1.00 0.00 C ATOM 550 CD1 ILE A 38 14.152 11.391 -1.694 1.00 0.00 C ATOM 0 H ILE A 38 12.565 9.597 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 38 10.352 10.297 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 38 13.140 9.589 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.811 12.367 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.065 11.810 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.612 11.095 -5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.509 9.699 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.957 11.291 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.432 12.323 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.127 10.587 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.884 11.153 -2.466 1.00 0.00 H new ATOM 562 N SER A 39 11.493 7.295 -2.917 1.00 0.00 N ATOM 563 CA SER A 39 11.151 6.050 -3.594 1.00 0.00 C ATOM 564 C SER A 39 10.010 5.336 -2.876 1.00 0.00 C ATOM 565 O SER A 39 9.257 4.576 -3.485 1.00 0.00 O ATOM 566 CB SER A 39 12.374 5.133 -3.670 1.00 0.00 C ATOM 567 OG SER A 39 12.652 4.550 -2.408 1.00 0.00 O ATOM 0 H SER A 39 12.373 7.267 -2.402 1.00 0.00 H new ATOM 0 HA SER A 39 10.825 6.293 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.199 4.348 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.239 5.702 -4.010 1.00 0.00 H new ATOM 0 HG SER A 39 13.436 3.967 -2.483 1.00 0.00 H new ATOM 573 N ARG A 40 9.889 5.587 -1.576 1.00 0.00 N ATOM 574 CA ARG A 40 8.842 4.968 -0.773 1.00 0.00 C ATOM 575 C ARG A 40 7.759 5.983 -0.416 1.00 0.00 C ATOM 576 O ARG A 40 7.449 6.186 0.757 1.00 0.00 O ATOM 577 CB ARG A 40 9.435 4.368 0.503 1.00 0.00 C ATOM 578 CG ARG A 40 8.563 3.295 1.134 1.00 0.00 C ATOM 579 CD ARG A 40 9.193 2.740 2.402 1.00 0.00 C ATOM 580 NE ARG A 40 10.304 1.837 2.111 1.00 0.00 N ATOM 581 CZ ARG A 40 10.145 0.572 1.740 1.00 0.00 C ATOM 582 NH1 ARG A 40 8.928 0.062 1.614 1.00 0.00 N ATOM 583 NH2 ARG A 40 11.206 -0.186 1.493 1.00 0.00 N ATOM 0 H ARG A 40 10.503 6.215 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 40 8.389 4.172 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.412 3.942 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.597 5.166 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.582 3.711 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.406 2.486 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.548 3.564 3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.437 2.210 2.980 1.00 0.00 H new ATOM 0 HE ARG A 40 11.254 2.198 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.110 0.642 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.809 -0.910 1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.144 0.203 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.083 -1.158 1.208 1.00 0.00 H new ATOM 597 N ARG A 41 7.190 6.616 -1.436 1.00 0.00 N ATOM 598 CA ARG A 41 6.144 7.611 -1.230 1.00 0.00 C ATOM 599 C ARG A 41 5.018 7.045 -0.369 1.00 0.00 C ATOM 600 O ARG A 41 4.961 5.842 -0.114 1.00 0.00 O ATOM 601 CB ARG A 41 5.586 8.081 -2.574 1.00 0.00 C ATOM 602 CG ARG A 41 6.352 9.247 -3.178 1.00 0.00 C ATOM 603 CD ARG A 41 5.621 10.563 -2.967 1.00 0.00 C ATOM 604 NE ARG A 41 4.293 10.555 -3.575 1.00 0.00 N ATOM 605 CZ ARG A 41 3.534 11.639 -3.697 1.00 0.00 C ATOM 606 NH1 ARG A 41 3.970 12.810 -3.256 1.00 0.00 N ATOM 607 NH2 ARG A 41 2.337 11.551 -4.261 1.00 0.00 N ATOM 0 H ARG A 41 7.435 6.458 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 41 6.584 8.462 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.599 7.246 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.543 8.371 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.343 9.304 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.495 9.076 -4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.529 10.760 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.209 11.377 -3.392 1.00 0.00 H new ATOM 0 HE ARG A 41 3.928 9.669 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.890 12.881 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.385 13.640 -3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.999 10.651 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.755 12.383 -4.354 1.00 0.00 H new ATOM 621 N LYS A 42 4.124 7.921 0.076 1.00 0.00 N ATOM 622 CA LYS A 42 2.999 7.511 0.908 1.00 0.00 C ATOM 623 C LYS A 42 1.715 7.438 0.088 1.00 0.00 C ATOM 624 O LYS A 42 1.560 8.146 -0.907 1.00 0.00 O ATOM 625 CB LYS A 42 2.817 8.486 2.073 1.00 0.00 C ATOM 626 CG LYS A 42 2.748 9.942 1.643 1.00 0.00 C ATOM 627 CD LYS A 42 2.282 10.837 2.779 1.00 0.00 C ATOM 628 CE LYS A 42 3.380 11.043 3.812 1.00 0.00 C ATOM 629 NZ LYS A 42 4.559 11.747 3.236 1.00 0.00 N ATOM 0 H LYS A 42 4.157 8.920 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 42 3.215 6.518 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.903 8.231 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.643 8.361 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.730 10.268 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.067 10.041 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.971 11.802 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.409 10.394 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.987 11.619 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.692 10.077 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.113 12.180 4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.153 11.066 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.235 12.488 2.582 1.00 0.00 H new ATOM 643 N HIS A 43 0.795 6.577 0.513 1.00 0.00 N ATOM 644 CA HIS A 43 -0.477 6.413 -0.182 1.00 0.00 C ATOM 645 C HIS A 43 -1.644 6.478 0.799 1.00 0.00 C ATOM 646 O HIS A 43 -1.668 5.760 1.800 1.00 0.00 O ATOM 647 CB HIS A 43 -0.503 5.083 -0.935 1.00 0.00 C ATOM 648 CG HIS A 43 0.693 4.866 -1.810 1.00 0.00 C ATOM 649 ND1 HIS A 43 0.710 5.180 -3.153 1.00 0.00 N ATOM 650 CD2 HIS A 43 1.919 4.366 -1.526 1.00 0.00 C ATOM 651 CE1 HIS A 43 1.894 4.880 -3.658 1.00 0.00 C ATOM 652 NE2 HIS A 43 2.646 4.385 -2.691 1.00 0.00 N ATOM 0 H HIS A 43 0.907 5.983 1.334 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.580 7.229 -0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.568 4.268 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.404 5.039 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.261 4.017 -0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.195 5.016 -4.686 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.610 4.068 -2.793 1.00 0.00 H new ATOM 660 N HIS A 44 -2.609 7.343 0.507 1.00 0.00 N ATOM 661 CA HIS A 44 -3.779 7.502 1.363 1.00 0.00 C ATOM 662 C HIS A 44 -4.863 6.493 0.996 1.00 0.00 C ATOM 663 O HIS A 44 -5.374 6.496 -0.125 1.00 0.00 O ATOM 664 CB HIS A 44 -4.330 8.924 1.251 1.00 0.00 C ATOM 665 CG HIS A 44 -4.806 9.487 2.555 1.00 0.00 C ATOM 666 ND1 HIS A 44 -5.778 8.884 3.325 1.00 0.00 N ATOM 667 CD2 HIS A 44 -4.436 10.603 3.225 1.00 0.00 C ATOM 668 CE1 HIS A 44 -5.987 9.607 4.411 1.00 0.00 C ATOM 669 NE2 HIS A 44 -5.184 10.655 4.375 1.00 0.00 N ATOM 0 H HIS A 44 -2.604 7.945 -0.316 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.472 7.320 2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.555 9.574 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.156 8.930 0.539 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.691 11.320 2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.694 9.380 5.195 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.129 11.384 5.086 1.00 0.00 H new ATOM 677 N CYS A 45 -5.208 5.631 1.946 1.00 0.00 N ATOM 678 CA CYS A 45 -6.230 4.615 1.722 1.00 0.00 C ATOM 679 C CYS A 45 -7.556 5.256 1.323 1.00 0.00 C ATOM 680 O CYS A 45 -7.894 6.346 1.784 1.00 0.00 O ATOM 681 CB CYS A 45 -6.419 3.767 2.981 1.00 0.00 C ATOM 682 SG CYS A 45 -7.291 2.193 2.694 1.00 0.00 S ATOM 0 H CYS A 45 -4.795 5.615 2.879 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.897 3.973 0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.441 3.555 3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.974 4.348 3.718 1.00 0.00 H new ATOM 687 N ARG A 46 -8.302 4.570 0.462 1.00 0.00 N ATOM 688 CA ARG A 46 -9.590 5.073 0.000 1.00 0.00 C ATOM 689 C ARG A 46 -10.736 4.409 0.758 1.00 0.00 C ATOM 690 O ARG A 46 -11.880 4.417 0.305 1.00 0.00 O ATOM 691 CB ARG A 46 -9.748 4.827 -1.502 1.00 0.00 C ATOM 692 CG ARG A 46 -8.959 5.798 -2.364 1.00 0.00 C ATOM 693 CD ARG A 46 -7.530 5.323 -2.575 1.00 0.00 C ATOM 694 NE ARG A 46 -6.845 6.089 -3.613 1.00 0.00 N ATOM 695 CZ ARG A 46 -5.531 6.057 -3.804 1.00 0.00 C ATOM 696 NH1 ARG A 46 -4.764 5.300 -3.032 1.00 0.00 N ATOM 697 NH2 ARG A 46 -4.982 6.782 -4.770 1.00 0.00 N ATOM 0 H ARG A 46 -8.037 3.666 0.071 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.623 6.146 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.429 3.810 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.804 4.897 -1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.452 5.912 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.951 6.781 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.978 5.407 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.536 4.268 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.407 6.681 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.183 4.740 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.755 5.277 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.569 7.365 -5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.973 6.757 -4.916 1.00 0.00 H new ATOM 711 N ASN A 47 -10.420 3.836 1.914 1.00 0.00 N ATOM 712 CA ASN A 47 -11.423 3.167 2.735 1.00 0.00 C ATOM 713 C ASN A 47 -11.343 3.638 4.184 1.00 0.00 C ATOM 714 O ASN A 47 -12.201 4.387 4.653 1.00 0.00 O ATOM 715 CB ASN A 47 -11.237 1.650 2.669 1.00 0.00 C ATOM 716 CG ASN A 47 -12.251 0.905 3.517 1.00 0.00 C ATOM 717 OD1 ASN A 47 -13.182 1.502 4.058 1.00 0.00 O ATOM 718 ND2 ASN A 47 -12.074 -0.405 3.636 1.00 0.00 N ATOM 0 H ASN A 47 -9.478 3.821 2.304 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.407 3.423 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.322 1.321 1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.231 1.395 3.003 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.724 -0.959 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.288 -0.858 3.170 1.00 0.00 H new ATOM 725 N CYS A 48 -10.307 3.195 4.888 1.00 0.00 N ATOM 726 CA CYS A 48 -10.113 3.570 6.283 1.00 0.00 C ATOM 727 C CYS A 48 -9.594 5.001 6.394 1.00 0.00 C ATOM 728 O CYS A 48 -9.825 5.680 7.394 1.00 0.00 O ATOM 729 CB CYS A 48 -9.135 2.608 6.961 1.00 0.00 C ATOM 730 SG CYS A 48 -7.443 2.671 6.289 1.00 0.00 S ATOM 0 H CYS A 48 -9.588 2.575 4.515 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.078 3.511 6.786 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.100 2.834 8.027 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.516 1.591 6.863 1.00 0.00 H new ATOM 735 N GLY A 49 -8.892 5.453 5.359 1.00 0.00 N ATOM 736 CA GLY A 49 -8.352 6.800 5.360 1.00 0.00 C ATOM 737 C GLY A 49 -7.152 6.943 6.275 1.00 0.00 C ATOM 738 O GLY A 49 -7.162 7.752 7.203 1.00 0.00 O ATOM 0 H GLY A 49 -8.688 4.910 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.065 7.074 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.128 7.499 5.672 1.00 0.00 H new ATOM 742 N HIS A 50 -6.115 6.153 6.015 1.00 0.00 N ATOM 743 CA HIS A 50 -4.901 6.194 6.823 1.00 0.00 C ATOM 744 C HIS A 50 -3.667 6.358 5.942 1.00 0.00 C ATOM 745 O HIS A 50 -3.739 6.204 4.722 1.00 0.00 O ATOM 746 CB HIS A 50 -4.778 4.922 7.662 1.00 0.00 C ATOM 747 CG HIS A 50 -5.589 4.954 8.921 1.00 0.00 C ATOM 748 ND1 HIS A 50 -5.028 5.078 10.174 1.00 0.00 N ATOM 749 CD2 HIS A 50 -6.926 4.878 9.115 1.00 0.00 C ATOM 750 CE1 HIS A 50 -5.985 5.076 11.085 1.00 0.00 C ATOM 751 NE2 HIS A 50 -7.147 4.956 10.468 1.00 0.00 N ATOM 0 H HIS A 50 -6.091 5.477 5.252 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.967 7.054 7.489 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.090 4.068 7.060 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.730 4.766 7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.679 4.775 8.348 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.842 5.158 12.152 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.060 4.926 10.923 1.00 0.00 H new ATOM 759 N ILE A 51 -2.537 6.672 6.567 1.00 0.00 N ATOM 760 CA ILE A 51 -1.288 6.856 5.839 1.00 0.00 C ATOM 761 C ILE A 51 -0.450 5.582 5.853 1.00 0.00 C ATOM 762 O ILE A 51 -0.003 5.131 6.908 1.00 0.00 O ATOM 763 CB ILE A 51 -0.456 8.010 6.430 1.00 0.00 C ATOM 764 CG1 ILE A 51 -1.325 9.257 6.603 1.00 0.00 C ATOM 765 CG2 ILE A 51 0.741 8.310 5.541 1.00 0.00 C ATOM 766 CD1 ILE A 51 -1.931 9.755 5.309 1.00 0.00 C ATOM 0 H ILE A 51 -2.461 6.804 7.576 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.556 7.101 4.811 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.088 7.708 7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.126 9.037 7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.722 10.052 7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.319 9.128 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.369 7.423 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.394 8.595 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.534 10.641 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.135 10.007 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.561 8.976 4.879 1.00 0.00 H new ATOM 778 N PHE A 52 -0.239 5.006 4.674 1.00 0.00 N ATOM 779 CA PHE A 52 0.546 3.783 4.550 1.00 0.00 C ATOM 780 C PHE A 52 1.490 3.862 3.354 1.00 0.00 C ATOM 781 O PHE A 52 1.284 4.658 2.437 1.00 0.00 O ATOM 782 CB PHE A 52 -0.377 2.571 4.406 1.00 0.00 C ATOM 783 CG PHE A 52 -1.170 2.271 5.646 1.00 0.00 C ATOM 784 CD1 PHE A 52 -0.535 1.859 6.807 1.00 0.00 C ATOM 785 CD2 PHE A 52 -2.549 2.401 5.651 1.00 0.00 C ATOM 786 CE1 PHE A 52 -1.262 1.581 7.949 1.00 0.00 C ATOM 787 CE2 PHE A 52 -3.281 2.125 6.791 1.00 0.00 C ATOM 788 CZ PHE A 52 -2.637 1.715 7.941 1.00 0.00 C ATOM 0 H PHE A 52 -0.601 5.366 3.791 1.00 0.00 H new ATOM 0 HA PHE A 52 1.143 3.671 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.064 2.744 3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.221 1.698 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.540 1.754 6.819 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.058 2.722 4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.756 1.259 8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.356 2.230 6.782 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.207 1.499 8.833 1.00 0.00 H new ATOM 798 N CYS A 53 2.527 3.031 3.370 1.00 0.00 N ATOM 799 CA CYS A 53 3.504 3.006 2.289 1.00 0.00 C ATOM 800 C CYS A 53 3.179 1.903 1.286 1.00 0.00 C ATOM 801 O CYS A 53 2.216 1.156 1.461 1.00 0.00 O ATOM 802 CB CYS A 53 4.912 2.800 2.851 1.00 0.00 C ATOM 803 SG CYS A 53 5.173 1.173 3.626 1.00 0.00 S ATOM 0 H CYS A 53 2.712 2.366 4.121 1.00 0.00 H new ATOM 0 HA CYS A 53 3.462 3.965 1.773 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.635 2.927 2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.115 3.578 3.587 1.00 0.00 H new ATOM 808 N ASN A 54 3.988 1.806 0.237 1.00 0.00 N ATOM 809 CA ASN A 54 3.786 0.794 -0.794 1.00 0.00 C ATOM 810 C ASN A 54 3.715 -0.600 -0.180 1.00 0.00 C ATOM 811 O ASN A 54 2.815 -1.382 -0.490 1.00 0.00 O ATOM 812 CB ASN A 54 4.916 0.854 -1.824 1.00 0.00 C ATOM 813 CG ASN A 54 4.426 0.592 -3.235 1.00 0.00 C ATOM 814 OD1 ASN A 54 3.990 -0.514 -3.558 1.00 0.00 O ATOM 815 ND2 ASN A 54 4.496 1.610 -4.084 1.00 0.00 N ATOM 0 H ASN A 54 4.790 2.416 0.078 1.00 0.00 H new ATOM 0 HA ASN A 54 2.839 1.001 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.390 1.835 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.679 0.120 -1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.181 1.493 -5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.864 2.509 -3.773 1.00 0.00 H new ATOM 822 N THR A 55 4.670 -0.907 0.693 1.00 0.00 N ATOM 823 CA THR A 55 4.716 -2.207 1.350 1.00 0.00 C ATOM 824 C THR A 55 3.452 -2.456 2.165 1.00 0.00 C ATOM 825 O THR A 55 3.044 -3.601 2.362 1.00 0.00 O ATOM 826 CB THR A 55 5.942 -2.325 2.275 1.00 0.00 C ATOM 827 OG1 THR A 55 7.143 -2.105 1.527 1.00 0.00 O ATOM 828 CG2 THR A 55 5.992 -3.695 2.934 1.00 0.00 C ATOM 0 H THR A 55 5.422 -0.272 0.961 1.00 0.00 H new ATOM 0 HA THR A 55 4.791 -2.957 0.563 1.00 0.00 H new ATOM 0 HB THR A 55 5.856 -1.568 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.905 -2.482 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.866 -3.755 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.090 -3.847 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.056 -4.466 2.166 1.00 0.00 H new ATOM 836 N CYS A 56 2.835 -1.378 2.636 1.00 0.00 N ATOM 837 CA CYS A 56 1.617 -1.479 3.431 1.00 0.00 C ATOM 838 C CYS A 56 0.401 -1.043 2.619 1.00 0.00 C ATOM 839 O CYS A 56 -0.575 -0.533 3.169 1.00 0.00 O ATOM 840 CB CYS A 56 1.734 -0.624 4.694 1.00 0.00 C ATOM 841 SG CYS A 56 3.167 -1.036 5.741 1.00 0.00 S ATOM 0 H CYS A 56 3.159 -0.423 2.481 1.00 0.00 H new ATOM 0 HA CYS A 56 1.486 -2.522 3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.798 0.425 4.405 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.823 -0.737 5.282 1.00 0.00 H new ATOM 846 N SER A 57 0.467 -1.248 1.307 1.00 0.00 N ATOM 847 CA SER A 57 -0.626 -0.873 0.418 1.00 0.00 C ATOM 848 C SER A 57 -0.358 -1.351 -1.005 1.00 0.00 C ATOM 849 O SER A 57 -0.645 -0.647 -1.973 1.00 0.00 O ATOM 850 CB SER A 57 -0.824 0.645 0.430 1.00 0.00 C ATOM 851 OG SER A 57 0.218 1.300 -0.272 1.00 0.00 O ATOM 0 H SER A 57 1.266 -1.672 0.836 1.00 0.00 H new ATOM 0 HA SER A 57 -1.535 -1.354 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.784 0.893 -0.023 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.855 1.003 1.459 1.00 0.00 H new ATOM 0 HG SER A 57 1.084 1.019 0.091 1.00 0.00 H new ATOM 857 N SER A 58 0.196 -2.554 -1.124 1.00 0.00 N ATOM 858 CA SER A 58 0.507 -3.126 -2.429 1.00 0.00 C ATOM 859 C SER A 58 -0.617 -4.042 -2.903 1.00 0.00 C ATOM 860 O SER A 58 -0.370 -5.136 -3.408 1.00 0.00 O ATOM 861 CB SER A 58 1.822 -3.905 -2.366 1.00 0.00 C ATOM 862 OG SER A 58 2.556 -3.765 -3.571 1.00 0.00 O ATOM 0 H SER A 58 0.438 -3.151 -0.333 1.00 0.00 H new ATOM 0 HA SER A 58 0.610 -2.308 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.421 -3.547 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.615 -4.959 -2.183 1.00 0.00 H new ATOM 0 HG SER A 58 3.393 -4.271 -3.505 1.00 0.00 H new ATOM 868 N ASN A 59 -1.854 -3.584 -2.736 1.00 0.00 N ATOM 869 CA ASN A 59 -3.018 -4.361 -3.146 1.00 0.00 C ATOM 870 C ASN A 59 -4.154 -3.446 -3.591 1.00 0.00 C ATOM 871 O ASN A 59 -4.112 -2.236 -3.370 1.00 0.00 O ATOM 872 CB ASN A 59 -3.490 -5.257 -1.998 1.00 0.00 C ATOM 873 CG ASN A 59 -2.338 -5.946 -1.292 1.00 0.00 C ATOM 874 OD1 ASN A 59 -1.717 -6.858 -1.838 1.00 0.00 O ATOM 875 ND2 ASN A 59 -2.047 -5.512 -0.071 1.00 0.00 N ATOM 0 H ASN A 59 -2.076 -2.679 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.727 -4.986 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.047 -4.658 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.177 -6.009 -2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.282 -5.938 0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.588 -4.753 0.343 1.00 0.00 H new ATOM 882 N GLU A 60 -5.169 -4.033 -4.218 1.00 0.00 N ATOM 883 CA GLU A 60 -6.317 -3.269 -4.693 1.00 0.00 C ATOM 884 C GLU A 60 -7.620 -4.007 -4.402 1.00 0.00 C ATOM 885 O GLU A 60 -7.620 -5.210 -4.137 1.00 0.00 O ATOM 886 CB GLU A 60 -6.193 -3.003 -6.195 1.00 0.00 C ATOM 887 CG GLU A 60 -4.929 -2.251 -6.578 1.00 0.00 C ATOM 888 CD GLU A 60 -5.023 -1.613 -7.950 1.00 0.00 C ATOM 889 OE1 GLU A 60 -5.854 -0.697 -8.123 1.00 0.00 O ATOM 890 OE2 GLU A 60 -4.265 -2.029 -8.851 1.00 0.00 O ATOM 0 H GLU A 60 -5.220 -5.034 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.333 -2.317 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.215 -3.954 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.060 -2.432 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.731 -1.478 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.082 -2.937 -6.558 1.00 0.00 H new ATOM 897 N LEU A 61 -8.730 -3.278 -4.453 1.00 0.00 N ATOM 898 CA LEU A 61 -10.041 -3.863 -4.195 1.00 0.00 C ATOM 899 C LEU A 61 -11.152 -2.967 -4.734 1.00 0.00 C ATOM 900 O LEU A 61 -11.145 -1.755 -4.519 1.00 0.00 O ATOM 901 CB LEU A 61 -10.235 -4.088 -2.694 1.00 0.00 C ATOM 902 CG LEU A 61 -11.136 -5.259 -2.301 1.00 0.00 C ATOM 903 CD1 LEU A 61 -10.408 -6.580 -2.495 1.00 0.00 C ATOM 904 CD2 LEU A 61 -11.604 -5.112 -0.861 1.00 0.00 C ATOM 0 H LEU A 61 -8.748 -2.282 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 61 -10.091 -4.823 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.256 -4.241 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.648 -3.177 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.013 -5.252 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.064 -7.402 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.123 -6.688 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.514 -6.597 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.244 -5.954 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.739 -5.093 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.164 -4.183 -0.754 1.00 0.00 H new ATOM 916 N ALA A 62 -12.106 -3.572 -5.433 1.00 0.00 N ATOM 917 CA ALA A 62 -13.226 -2.831 -5.999 1.00 0.00 C ATOM 918 C ALA A 62 -14.268 -2.512 -4.932 1.00 0.00 C ATOM 919 O ALA A 62 -15.040 -3.381 -4.524 1.00 0.00 O ATOM 920 CB ALA A 62 -13.858 -3.616 -7.139 1.00 0.00 C ATOM 0 H ALA A 62 -12.126 -4.574 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.844 -1.888 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.693 -3.050 -7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.115 -3.787 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.219 -4.574 -6.765 1.00 0.00 H new ATOM 926 N LEU A 63 -14.286 -1.261 -4.484 1.00 0.00 N ATOM 927 CA LEU A 63 -15.234 -0.828 -3.463 1.00 0.00 C ATOM 928 C LEU A 63 -16.502 -0.268 -4.100 1.00 0.00 C ATOM 929 O LEU A 63 -16.515 0.137 -5.263 1.00 0.00 O ATOM 930 CB LEU A 63 -14.594 0.229 -2.561 1.00 0.00 C ATOM 931 CG LEU A 63 -13.724 -0.301 -1.420 1.00 0.00 C ATOM 932 CD1 LEU A 63 -13.019 0.845 -0.710 1.00 0.00 C ATOM 933 CD2 LEU A 63 -14.565 -1.103 -0.437 1.00 0.00 C ATOM 0 H LEU A 63 -13.655 -0.529 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.504 -1.696 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.984 0.886 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.388 0.841 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.966 -0.961 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.405 0.449 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.386 1.378 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.761 1.530 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.930 -1.472 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.345 -0.465 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.023 -1.946 -0.954 1.00 0.00 H new ATOM 945 N PRO A 64 -17.594 -0.243 -3.322 1.00 0.00 N ATOM 946 CA PRO A 64 -18.886 0.267 -3.788 1.00 0.00 C ATOM 947 C PRO A 64 -18.875 1.779 -3.989 1.00 0.00 C ATOM 948 O PRO A 64 -19.754 2.334 -4.647 1.00 0.00 O ATOM 949 CB PRO A 64 -19.847 -0.115 -2.659 1.00 0.00 C ATOM 950 CG PRO A 64 -18.986 -0.213 -1.447 1.00 0.00 C ATOM 951 CD PRO A 64 -17.650 -0.710 -1.926 1.00 0.00 C ATOM 0 HA PRO A 64 -19.161 -0.147 -4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.627 0.636 -2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -20.347 -1.061 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.889 0.756 -0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.418 -0.897 -0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.832 -0.301 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.578 -1.796 -1.862 1.00 0.00 H new ATOM 959 N SER A 65 -17.873 2.439 -3.417 1.00 0.00 N ATOM 960 CA SER A 65 -17.749 3.888 -3.531 1.00 0.00 C ATOM 961 C SER A 65 -17.211 4.281 -4.903 1.00 0.00 C ATOM 962 O SER A 65 -17.790 5.122 -5.592 1.00 0.00 O ATOM 963 CB SER A 65 -16.828 4.430 -2.436 1.00 0.00 C ATOM 964 OG SER A 65 -17.577 4.937 -1.345 1.00 0.00 O ATOM 0 H SER A 65 -17.136 1.994 -2.870 1.00 0.00 H new ATOM 0 HA SER A 65 -18.741 4.323 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.165 3.638 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.196 5.218 -2.845 1.00 0.00 H new ATOM 0 HG SER A 65 -16.966 5.276 -0.658 1.00 0.00 H new ATOM 970 N TYR A 66 -16.100 3.667 -5.294 1.00 0.00 N ATOM 971 CA TYR A 66 -15.481 3.953 -6.583 1.00 0.00 C ATOM 972 C TYR A 66 -15.871 2.904 -7.620 1.00 0.00 C ATOM 973 O TYR A 66 -16.192 1.761 -7.294 1.00 0.00 O ATOM 974 CB TYR A 66 -13.959 4.006 -6.441 1.00 0.00 C ATOM 975 CG TYR A 66 -13.477 5.068 -5.480 1.00 0.00 C ATOM 976 CD1 TYR A 66 -13.242 6.368 -5.910 1.00 0.00 C ATOM 977 CD2 TYR A 66 -13.257 4.771 -4.140 1.00 0.00 C ATOM 978 CE1 TYR A 66 -12.801 7.341 -5.035 1.00 0.00 C ATOM 979 CE2 TYR A 66 -12.817 5.739 -3.257 1.00 0.00 C ATOM 980 CZ TYR A 66 -12.590 7.022 -3.709 1.00 0.00 C ATOM 981 OH TYR A 66 -12.151 7.989 -2.834 1.00 0.00 O ATOM 0 H TYR A 66 -15.609 2.968 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 66 -15.841 4.924 -6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.600 3.033 -6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.517 4.187 -7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -13.407 6.622 -6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.433 3.767 -3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -12.622 8.346 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.652 5.492 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.054 7.601 -1.939 1.00 0.00 H new ATOM 991 N PRO A 67 -15.841 3.300 -8.901 1.00 0.00 N ATOM 992 CA PRO A 67 -16.187 2.409 -10.013 1.00 0.00 C ATOM 993 C PRO A 67 -15.146 1.315 -10.225 1.00 0.00 C ATOM 994 O PRO A 67 -15.487 0.160 -10.479 1.00 0.00 O ATOM 995 CB PRO A 67 -16.228 3.349 -11.220 1.00 0.00 C ATOM 996 CG PRO A 67 -15.332 4.480 -10.851 1.00 0.00 C ATOM 997 CD PRO A 67 -15.468 4.647 -9.363 1.00 0.00 C ATOM 0 HA PRO A 67 -17.123 1.880 -9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.881 2.848 -12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.242 3.696 -11.417 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.299 4.266 -11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.619 5.392 -11.374 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.536 4.983 -8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.230 5.384 -9.109 1.00 0.00 H new ATOM 1005 N LYS A 68 -13.874 1.686 -10.118 1.00 0.00 N ATOM 1006 CA LYS A 68 -12.782 0.737 -10.296 1.00 0.00 C ATOM 1007 C LYS A 68 -12.027 0.524 -8.988 1.00 0.00 C ATOM 1008 O LYS A 68 -12.058 1.359 -8.083 1.00 0.00 O ATOM 1009 CB LYS A 68 -11.820 1.233 -11.378 1.00 0.00 C ATOM 1010 CG LYS A 68 -11.533 2.722 -11.301 1.00 0.00 C ATOM 1011 CD LYS A 68 -10.440 3.131 -12.274 1.00 0.00 C ATOM 1012 CE LYS A 68 -9.084 3.207 -11.589 1.00 0.00 C ATOM 1013 NZ LYS A 68 -8.865 4.528 -10.938 1.00 0.00 N ATOM 0 H LYS A 68 -13.574 2.638 -9.909 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.209 -0.216 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.881 0.686 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.238 1.002 -12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.443 3.281 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.234 2.984 -10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.395 2.415 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.683 4.100 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.010 2.417 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.297 3.028 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.930 4.540 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.910 5.280 -11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.601 4.688 -10.221 1.00 0.00 H new ATOM 1027 N PRO A 69 -11.332 -0.618 -8.884 1.00 0.00 N ATOM 1028 CA PRO A 69 -10.554 -0.965 -7.690 1.00 0.00 C ATOM 1029 C PRO A 69 -9.321 -0.084 -7.526 1.00 0.00 C ATOM 1030 O PRO A 69 -8.459 -0.035 -8.404 1.00 0.00 O ATOM 1031 CB PRO A 69 -10.144 -2.418 -7.945 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.154 -2.560 -9.428 1.00 0.00 C ATOM 1033 CD PRO A 69 -11.251 -1.658 -9.923 1.00 0.00 C ATOM 0 HA PRO A 69 -11.127 -0.824 -6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.157 -2.629 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.840 -3.114 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.192 -2.275 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.338 -3.594 -9.720 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.013 -1.234 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.194 -2.194 -10.030 1.00 0.00 H new ATOM 1041 N VAL A 70 -9.241 0.610 -6.395 1.00 0.00 N ATOM 1042 CA VAL A 70 -8.112 1.488 -6.114 1.00 0.00 C ATOM 1043 C VAL A 70 -7.107 0.812 -5.188 1.00 0.00 C ATOM 1044 O VAL A 70 -7.299 -0.332 -4.776 1.00 0.00 O ATOM 1045 CB VAL A 70 -8.574 2.811 -5.475 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -9.323 3.661 -6.490 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -9.439 2.538 -4.254 1.00 0.00 C ATOM 0 H VAL A 70 -9.946 0.581 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.634 1.703 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.693 3.366 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.642 4.592 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.667 3.885 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.197 3.116 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.757 3.483 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.316 1.963 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.865 1.972 -3.521 1.00 0.00 H new ATOM 1057 N ARG A 71 -6.036 1.529 -4.862 1.00 0.00 N ATOM 1058 CA ARG A 71 -5.000 0.998 -3.984 1.00 0.00 C ATOM 1059 C ARG A 71 -5.382 1.185 -2.519 1.00 0.00 C ATOM 1060 O ARG A 71 -5.564 2.309 -2.052 1.00 0.00 O ATOM 1061 CB ARG A 71 -3.662 1.685 -4.265 1.00 0.00 C ATOM 1062 CG ARG A 71 -2.496 1.082 -3.500 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.229 1.062 -4.340 1.00 0.00 C ATOM 1064 NE ARG A 71 -1.205 -0.066 -5.268 1.00 0.00 N ATOM 1065 CZ ARG A 71 -0.219 -0.287 -6.131 1.00 0.00 C ATOM 1066 NH1 ARG A 71 0.818 0.537 -6.183 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -0.270 -1.335 -6.943 1.00 0.00 N ATOM 0 H ARG A 71 -5.863 2.478 -5.193 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.901 -0.069 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.452 1.630 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.745 2.742 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.321 1.656 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.747 0.066 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.151 1.994 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.360 1.010 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.988 -0.720 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.861 1.343 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.573 0.365 -6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.066 -1.971 -6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.487 -1.504 -7.605 1.00 0.00 H new ATOM 1081 N VAL A 72 -5.501 0.074 -1.797 1.00 0.00 N ATOM 1082 CA VAL A 72 -5.860 0.115 -0.385 1.00 0.00 C ATOM 1083 C VAL A 72 -4.735 -0.435 0.484 1.00 0.00 C ATOM 1084 O VAL A 72 -3.683 -0.832 -0.019 1.00 0.00 O ATOM 1085 CB VAL A 72 -7.145 -0.687 -0.109 1.00 0.00 C ATOM 1086 CG1 VAL A 72 -8.364 0.066 -0.621 1.00 0.00 C ATOM 1087 CG2 VAL A 72 -7.057 -2.068 -0.741 1.00 0.00 C ATOM 0 H VAL A 72 -5.354 -0.865 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.032 1.161 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.251 -0.812 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.263 -0.516 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.434 1.030 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.269 0.224 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.974 -2.621 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.927 -1.967 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.207 -2.606 -0.322 1.00 0.00 H new ATOM 1097 N CYS A 73 -4.962 -0.456 1.793 1.00 0.00 N ATOM 1098 CA CYS A 73 -3.968 -0.958 2.735 1.00 0.00 C ATOM 1099 C CYS A 73 -4.277 -2.396 3.138 1.00 0.00 C ATOM 1100 O CYS A 73 -5.419 -2.847 3.041 1.00 0.00 O ATOM 1101 CB CYS A 73 -3.918 -0.068 3.978 1.00 0.00 C ATOM 1102 SG CYS A 73 -5.376 -0.219 5.060 1.00 0.00 S ATOM 0 H CYS A 73 -5.826 -0.131 2.226 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.996 -0.939 2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.025 -0.315 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.818 0.971 3.664 1.00 0.00 H new ATOM 1107 N ASP A 74 -3.253 -3.111 3.590 1.00 0.00 N ATOM 1108 CA ASP A 74 -3.415 -4.499 4.009 1.00 0.00 C ATOM 1109 C ASP A 74 -4.471 -4.616 5.103 1.00 0.00 C ATOM 1110 O ASP A 74 -5.125 -5.650 5.241 1.00 0.00 O ATOM 1111 CB ASP A 74 -2.083 -5.063 4.506 1.00 0.00 C ATOM 1112 CG ASP A 74 -1.936 -6.543 4.215 1.00 0.00 C ATOM 1113 OD1 ASP A 74 -2.429 -6.991 3.159 1.00 0.00 O ATOM 1114 OD2 ASP A 74 -1.330 -7.254 5.044 1.00 0.00 O ATOM 0 H ASP A 74 -2.302 -2.753 3.676 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.746 -5.077 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.264 -4.520 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.000 -4.897 5.580 1.00 0.00 H new ATOM 1119 N SER A 75 -4.632 -3.550 5.880 1.00 0.00 N ATOM 1120 CA SER A 75 -5.605 -3.535 6.966 1.00 0.00 C ATOM 1121 C SER A 75 -7.029 -3.598 6.421 1.00 0.00 C ATOM 1122 O SER A 75 -7.943 -4.074 7.094 1.00 0.00 O ATOM 1123 CB SER A 75 -5.429 -2.277 7.820 1.00 0.00 C ATOM 1124 OG SER A 75 -5.506 -2.584 9.201 1.00 0.00 O ATOM 0 H SER A 75 -4.101 -2.685 5.778 1.00 0.00 H new ATOM 0 HA SER A 75 -5.433 -4.414 7.587 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.466 -1.816 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.198 -1.548 7.563 1.00 0.00 H new ATOM 0 HG SER A 75 -5.389 -1.764 9.725 1.00 0.00 H new ATOM 1130 N CYS A 76 -7.208 -3.114 5.197 1.00 0.00 N ATOM 1131 CA CYS A 76 -8.519 -3.113 4.559 1.00 0.00 C ATOM 1132 C CYS A 76 -8.656 -4.290 3.596 1.00 0.00 C ATOM 1133 O CYS A 76 -9.651 -5.015 3.623 1.00 0.00 O ATOM 1134 CB CYS A 76 -8.745 -1.799 3.809 1.00 0.00 C ATOM 1135 SG CYS A 76 -9.002 -0.359 4.895 1.00 0.00 S ATOM 0 H CYS A 76 -6.461 -2.717 4.627 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.274 -3.213 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.886 -1.607 3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.612 -1.909 3.158 1.00 0.00 H new ATOM 1140 N HIS A 77 -7.649 -4.473 2.748 1.00 0.00 N ATOM 1141 CA HIS A 77 -7.656 -5.562 1.777 1.00 0.00 C ATOM 1142 C HIS A 77 -7.925 -6.899 2.462 1.00 0.00 C ATOM 1143 O HIS A 77 -8.845 -7.627 2.089 1.00 0.00 O ATOM 1144 CB HIS A 77 -6.323 -5.617 1.031 1.00 0.00 C ATOM 1145 CG HIS A 77 -6.359 -6.472 -0.198 1.00 0.00 C ATOM 1146 ND1 HIS A 77 -7.177 -6.437 -1.277 1.00 0.00 N flip ATOM 1147 CD2 HIS A 77 -5.481 -7.511 -0.418 1.00 0.00 C flip ATOM 1148 CE1 HIS A 77 -6.780 -7.445 -2.121 1.00 0.00 C flip ATOM 1149 NE2 HIS A 77 -5.755 -8.078 -1.580 1.00 0.00 N flip ATOM 0 H HIS A 77 -6.818 -3.882 2.713 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.456 -5.373 1.062 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.031 -4.605 0.751 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.554 -5.996 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.692 -7.815 0.254 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -7.233 -7.682 -3.073 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.259 -8.870 -1.989 1.00 0.00 H new ATOM 1157 N THR A 78 -7.115 -7.217 3.467 1.00 0.00 N ATOM 1158 CA THR A 78 -7.263 -8.466 4.203 1.00 0.00 C ATOM 1159 C THR A 78 -8.585 -8.503 4.961 1.00 0.00 C ATOM 1160 O THR A 78 -9.318 -9.491 4.903 1.00 0.00 O ATOM 1161 CB THR A 78 -6.107 -8.672 5.200 1.00 0.00 C ATOM 1162 OG1 THR A 78 -4.853 -8.427 4.553 1.00 0.00 O ATOM 1163 CG2 THR A 78 -6.124 -10.085 5.764 1.00 0.00 C ATOM 0 H THR A 78 -6.349 -6.626 3.790 1.00 0.00 H new ATOM 0 HA THR A 78 -7.245 -9.270 3.467 1.00 0.00 H new ATOM 0 HB THR A 78 -6.236 -7.968 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.634 -7.474 4.614 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.299 -10.207 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.068 -10.259 6.281 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.018 -10.803 4.951 1.00 0.00 H new ATOM 1171 N LEU A 79 -8.885 -7.422 5.672 1.00 0.00 N ATOM 1172 CA LEU A 79 -10.120 -7.331 6.442 1.00 0.00 C ATOM 1173 C LEU A 79 -11.331 -7.641 5.568 1.00 0.00 C ATOM 1174 O LEU A 79 -12.076 -8.585 5.834 1.00 0.00 O ATOM 1175 CB LEU A 79 -10.262 -5.936 7.053 1.00 0.00 C ATOM 1176 CG LEU A 79 -11.629 -5.600 7.651 1.00 0.00 C ATOM 1177 CD1 LEU A 79 -11.919 -6.487 8.852 1.00 0.00 C ATOM 1178 CD2 LEU A 79 -11.694 -4.131 8.042 1.00 0.00 C ATOM 0 H LEU A 79 -8.290 -6.596 5.731 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.074 -8.069 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.509 -5.825 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.034 -5.199 6.283 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.391 -5.788 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.896 -6.233 9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.916 -7.532 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.153 -6.332 9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.674 -3.910 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.922 -3.917 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.532 -3.512 7.159 1.00 0.00 H new ATOM 1190 N LEU A 80 -11.520 -6.843 4.524 1.00 0.00 N ATOM 1191 CA LEU A 80 -12.639 -7.034 3.608 1.00 0.00 C ATOM 1192 C LEU A 80 -12.639 -8.447 3.034 1.00 0.00 C ATOM 1193 O LEU A 80 -13.669 -9.123 3.019 1.00 0.00 O ATOM 1194 CB LEU A 80 -12.575 -6.010 2.472 1.00 0.00 C ATOM 1195 CG LEU A 80 -13.039 -4.595 2.817 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -12.284 -3.569 1.986 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -14.539 -4.458 2.604 1.00 0.00 C ATOM 0 H LEU A 80 -10.913 -6.057 4.290 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.563 -6.889 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.546 -5.957 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.181 -6.378 1.644 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.824 -4.409 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.627 -2.567 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.216 -3.651 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.467 -3.753 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.851 -3.444 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.779 -4.664 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.064 -5.168 3.244 1.00 0.00 H new ATOM 1209 N LEU A 81 -11.478 -8.889 2.565 1.00 0.00 N ATOM 1210 CA LEU A 81 -11.342 -10.224 1.993 1.00 0.00 C ATOM 1211 C LEU A 81 -11.813 -11.290 2.978 1.00 0.00 C ATOM 1212 O LEU A 81 -12.289 -12.351 2.577 1.00 0.00 O ATOM 1213 CB LEU A 81 -9.888 -10.486 1.598 1.00 0.00 C ATOM 1214 CG LEU A 81 -9.456 -9.949 0.233 1.00 0.00 C ATOM 1215 CD1 LEU A 81 -7.956 -9.696 0.209 1.00 0.00 C ATOM 1216 CD2 LEU A 81 -9.853 -10.918 -0.871 1.00 0.00 C ATOM 0 H LEU A 81 -10.617 -8.343 2.569 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.969 -10.276 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.241 -10.049 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.717 -11.562 1.613 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.966 -9.002 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.667 -9.314 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.698 -8.964 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.427 -10.628 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.538 -10.520 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.371 -11.881 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.935 -11.049 -0.869 1.00 0.00 H new ATOM 1228 N GLN A 82 -11.679 -10.997 4.267 1.00 0.00 N ATOM 1229 CA GLN A 82 -12.093 -11.929 5.309 1.00 0.00 C ATOM 1230 C GLN A 82 -13.591 -11.819 5.575 1.00 0.00 C ATOM 1231 O GLN A 82 -14.236 -12.795 5.958 1.00 0.00 O ATOM 1232 CB GLN A 82 -11.313 -11.666 6.598 1.00 0.00 C ATOM 1233 CG GLN A 82 -10.187 -12.656 6.841 1.00 0.00 C ATOM 1234 CD GLN A 82 -9.872 -12.832 8.314 1.00 0.00 C ATOM 1235 OE1 GLN A 82 -9.990 -13.930 8.859 1.00 0.00 O ATOM 1236 NE2 GLN A 82 -9.468 -11.749 8.967 1.00 0.00 N ATOM 0 H GLN A 82 -11.287 -10.122 4.615 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.878 -12.940 4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.898 -10.659 6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -12.002 -11.698 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.459 -13.621 6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.292 -12.317 6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.384 -10.859 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.241 -11.807 9.960 1.00 0.00 H new ATOM 1245 N ARG A 83 -14.137 -10.626 5.368 1.00 0.00 N ATOM 1246 CA ARG A 83 -15.559 -10.388 5.587 1.00 0.00 C ATOM 1247 C ARG A 83 -16.405 -11.268 4.672 1.00 0.00 C ATOM 1248 O ARG A 83 -16.461 -11.048 3.461 1.00 0.00 O ATOM 1249 CB ARG A 83 -15.894 -8.915 5.348 1.00 0.00 C ATOM 1250 CG ARG A 83 -17.247 -8.500 5.902 1.00 0.00 C ATOM 1251 CD ARG A 83 -17.591 -7.069 5.520 1.00 0.00 C ATOM 1252 NE ARG A 83 -18.032 -6.286 6.671 1.00 0.00 N ATOM 1253 CZ ARG A 83 -18.597 -5.088 6.572 1.00 0.00 C ATOM 1254 NH1 ARG A 83 -18.789 -4.538 5.381 1.00 0.00 N ATOM 1255 NH2 ARG A 83 -18.971 -4.437 7.666 1.00 0.00 N ATOM 0 H ARG A 83 -13.617 -9.809 5.049 1.00 0.00 H new ATOM 0 HA ARG A 83 -15.789 -10.643 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -15.120 -8.297 5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -15.873 -8.716 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -18.017 -9.173 5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -17.242 -8.597 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.719 -6.594 5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.376 -7.074 4.763 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.899 -6.681 7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.503 -5.035 4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.223 -3.618 5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.825 -4.856 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -19.405 -3.517 7.589 1.00 0.00 H new ATOM 1269 N CYS A 84 -17.059 -12.265 5.258 1.00 0.00 N ATOM 1270 CA CYS A 84 -17.901 -13.180 4.495 1.00 0.00 C ATOM 1271 C CYS A 84 -19.326 -12.647 4.389 1.00 0.00 C ATOM 1272 O CYS A 84 -19.760 -11.839 5.210 1.00 0.00 O ATOM 1273 CB CYS A 84 -17.908 -14.563 5.147 1.00 0.00 C ATOM 1274 SG CYS A 84 -17.181 -15.865 4.124 1.00 0.00 S ATOM 0 H CYS A 84 -17.023 -12.460 6.258 1.00 0.00 H new ATOM 0 HA CYS A 84 -17.488 -13.262 3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -17.364 -14.511 6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -18.936 -14.835 5.386 1.00 0.00 H new ATOM 0 HG CYS A 84 -17.231 -16.997 4.762 1.00 0.00 H new ATOM 1280 N SER A 85 -20.048 -13.103 3.370 1.00 0.00 N ATOM 1281 CA SER A 85 -21.423 -12.668 3.153 1.00 0.00 C ATOM 1282 C SER A 85 -22.410 -13.727 3.634 1.00 0.00 C ATOM 1283 O SER A 85 -22.014 -14.794 4.101 1.00 0.00 O ATOM 1284 CB SER A 85 -21.658 -12.370 1.671 1.00 0.00 C ATOM 1285 OG SER A 85 -20.694 -13.020 0.861 1.00 0.00 O ATOM 0 H SER A 85 -19.704 -13.773 2.682 1.00 0.00 H new ATOM 0 HA SER A 85 -21.585 -11.757 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 85 -22.658 -12.697 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.614 -11.294 1.502 1.00 0.00 H new ATOM 0 HG SER A 85 -20.760 -13.989 0.988 1.00 0.00 H new ATOM 1291 N SER A 86 -23.699 -13.423 3.516 1.00 0.00 N ATOM 1292 CA SER A 86 -24.744 -14.346 3.941 1.00 0.00 C ATOM 1293 C SER A 86 -24.717 -15.621 3.104 1.00 0.00 C ATOM 1294 O SER A 86 -24.743 -16.730 3.638 1.00 0.00 O ATOM 1295 CB SER A 86 -26.117 -13.680 3.833 1.00 0.00 C ATOM 1296 OG SER A 86 -26.076 -12.346 4.310 1.00 0.00 O ATOM 0 H SER A 86 -24.044 -12.544 3.129 1.00 0.00 H new ATOM 0 HA SER A 86 -24.558 -14.612 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.448 -13.688 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 86 -26.848 -14.252 4.405 1.00 0.00 H new ATOM 0 HG SER A 86 -26.965 -11.942 4.229 1.00 0.00 H new ATOM 1302 N THR A 87 -24.666 -15.454 1.786 1.00 0.00 N ATOM 1303 CA THR A 87 -24.636 -16.590 0.873 1.00 0.00 C ATOM 1304 C THR A 87 -25.862 -17.476 1.058 1.00 0.00 C ATOM 1305 O THR A 87 -26.727 -17.190 1.886 1.00 0.00 O ATOM 1306 CB THR A 87 -23.367 -17.440 1.073 1.00 0.00 C ATOM 1307 OG1 THR A 87 -22.435 -16.739 1.905 1.00 0.00 O ATOM 1308 CG2 THR A 87 -22.717 -17.766 -0.263 1.00 0.00 C ATOM 0 H THR A 87 -24.645 -14.543 1.327 1.00 0.00 H new ATOM 0 HA THR A 87 -24.635 -16.182 -0.138 1.00 0.00 H new ATOM 0 HB THR A 87 -23.654 -18.374 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 87 -21.631 -17.286 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 87 -21.823 -18.367 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 87 -23.419 -18.324 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 87 -22.443 -16.841 -0.770 1.00 0.00 H new ATOM 1316 N ALA A 88 -25.930 -18.554 0.283 1.00 0.00 N ATOM 1317 CA ALA A 88 -27.050 -19.484 0.365 1.00 0.00 C ATOM 1318 C ALA A 88 -26.621 -20.806 0.992 1.00 0.00 C ATOM 1319 O ALA A 88 -25.501 -21.270 0.780 1.00 0.00 O ATOM 1320 CB ALA A 88 -27.641 -19.720 -1.017 1.00 0.00 C ATOM 0 H ALA A 88 -25.223 -18.805 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.813 -19.040 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -28.476 -20.416 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -27.993 -18.774 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -26.878 -20.139 -1.672 1.00 0.00 H new ATOM 1326 N SER A 89 -27.519 -21.407 1.766 1.00 0.00 N ATOM 1327 CA SER A 89 -27.231 -22.674 2.428 1.00 0.00 C ATOM 1328 C SER A 89 -28.380 -23.660 2.238 1.00 0.00 C ATOM 1329 O SER A 89 -29.472 -23.420 2.752 1.00 0.00 O ATOM 1330 CB SER A 89 -26.980 -22.448 3.920 1.00 0.00 C ATOM 1331 OG SER A 89 -27.130 -23.653 4.651 1.00 0.00 O ATOM 0 H SER A 89 -28.452 -21.037 1.950 1.00 0.00 H new ATOM 0 HA SER A 89 -26.334 -23.097 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 89 -25.975 -22.053 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 89 -27.676 -21.700 4.300 1.00 0.00 H new ATOM 0 HG SER A 89 -26.963 -23.482 5.601 1.00 0.00 H new TER 1337 SER A 89 HETATM 1338 ZN ZN A 201 4.544 0.783 5.690 1.00 0.00 ZN HETATM 1339 ZN ZN A 401 -7.203 0.981 4.616 1.00 0.00 ZN