USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= -0.201 X(o=0.27,f=0.73) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 151:sc= 0.473 (180deg=-1.25!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-2.9!) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.00568 USER MOD Set 3.1: A 25 CYS SG : rot -8:sc= 1.2 USER MOD Set 3.2: A 32 GLN : amide:sc= 0.884 K(o=2.1,f=-0.78!) USER MOD Set 4.1: A 10 TYR OH : rot 29:sc= 1.18 USER MOD Set 4.2: A 38 HIS : no HE2:sc= 0.412 K(o=1.6,f=-7.9!) USER MOD Set 5.1: A 5 ASN : amide:sc= 0.639 K(o=0.91,f=-0.31) USER MOD Set 5.2: A 6 SER OG : rot 180:sc= 0.275 USER MOD Single : A 4 LYS NZ :NH3+ 136:sc= 0.109 (180deg=-0.147) USER MOD Single : A 8 SER OG : rot 52:sc= 1.14 USER MOD Single : A 11 THR OG1 : rot -73:sc= 0.237 USER MOD Single : A 13 THR OG1 : rot -38:sc= 1.26 USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= 0.609 (180deg=-0.0526!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 1.54 (180deg=1.52) USER MOD Single : A 24 ASN : amide:sc= 1.08 K(o=1.1,f=-0.018) USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= 1.85 (180deg=-0.523!) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 1.72 (180deg=1.21) USER MOD Single : A 35 ASN : amide:sc= -5.25! X(o=-5.3!,f=-5.6) USER MOD Single : A 41 SER OG : rot 120:sc= 1.29 USER MOD Single : A 43 THR OG1 : rot 154:sc= 1.02 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.2) USER MOD Single : A 62 SER OG : rot 180:sc= -0.048 USER MOD Single : A 71 LYS NZ :NH3+ -151:sc= 0.779 (180deg=-0.449!) USER MOD Single : A 77 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.0019) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 2.29 (180deg=2.29) USER MOD Single : A 80 SER OG : rot 170:sc=0.000407 USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0.897 (180deg=0.78) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.894 4.805 -1.411 1.00 0.00 N ATOM 34 CA LEU A 3 11.466 4.822 -1.578 1.00 0.00 C ATOM 35 C LEU A 3 10.928 6.253 -1.577 1.00 0.00 C ATOM 36 O LEU A 3 11.518 7.154 -0.979 1.00 0.00 O ATOM 37 CB LEU A 3 10.767 3.967 -0.506 1.00 0.00 C ATOM 38 CG LEU A 3 11.144 2.471 -0.517 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.328 1.727 0.540 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.915 1.804 -1.881 1.00 0.00 C ATOM 0 HA LEU A 3 11.242 4.382 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.002 4.378 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.689 4.055 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 3 12.210 2.415 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.596 0.671 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.539 2.146 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.266 1.833 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.199 0.753 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.862 1.882 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.522 2.303 -2.637 1.00 0.00 H new ATOM 52 N LYS A 4 9.771 6.464 -2.211 1.00 0.00 N ATOM 53 CA LYS A 4 9.109 7.755 -2.202 1.00 0.00 C ATOM 54 C LYS A 4 8.715 8.111 -0.787 1.00 0.00 C ATOM 55 O LYS A 4 8.145 7.292 -0.080 1.00 0.00 O ATOM 56 CB LYS A 4 7.955 7.870 -3.200 1.00 0.00 C ATOM 57 CG LYS A 4 7.960 6.971 -4.447 1.00 0.00 C ATOM 58 CD LYS A 4 9.088 7.318 -5.428 1.00 0.00 C ATOM 59 CE LYS A 4 8.865 6.630 -6.778 1.00 0.00 C ATOM 60 NZ LYS A 4 7.717 7.195 -7.519 1.00 0.00 N ATOM 0 H LYS A 4 9.276 5.745 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 4 9.824 8.497 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.030 7.676 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.915 8.905 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.061 5.931 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.001 7.061 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.135 8.398 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.047 7.009 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.766 6.725 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.700 5.565 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.978 7.324 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.908 6.545 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.457 8.114 -7.108 1.00 0.00 H new ATOM 74 N ASN A 5 8.971 9.360 -0.402 1.00 0.00 N ATOM 75 CA ASN A 5 8.680 9.856 0.938 1.00 0.00 C ATOM 76 C ASN A 5 7.207 9.649 1.294 1.00 0.00 C ATOM 77 O ASN A 5 6.864 9.546 2.469 1.00 0.00 O ATOM 78 CB ASN A 5 9.043 11.351 1.005 1.00 0.00 C ATOM 79 CG ASN A 5 9.034 11.911 2.426 1.00 0.00 C ATOM 80 OD1 ASN A 5 10.081 12.042 3.043 1.00 0.00 O ATOM 81 ND2 ASN A 5 7.896 12.323 2.956 1.00 0.00 N ATOM 0 H ASN A 5 9.389 10.059 -1.016 1.00 0.00 H new ATOM 0 HA ASN A 5 9.274 9.298 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.032 11.498 0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.339 11.917 0.394 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.890 12.751 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.023 12.213 2.439 1.00 0.00 H new ATOM 88 N SER A 6 6.310 9.662 0.299 1.00 0.00 N ATOM 89 CA SER A 6 4.882 9.725 0.527 1.00 0.00 C ATOM 90 C SER A 6 4.076 9.346 -0.696 1.00 0.00 C ATOM 91 O SER A 6 4.564 9.416 -1.826 1.00 0.00 O ATOM 92 CB SER A 6 4.536 11.161 0.877 1.00 0.00 C ATOM 93 OG SER A 6 5.193 11.654 2.030 1.00 0.00 O ATOM 0 H SER A 6 6.568 9.629 -0.687 1.00 0.00 H new ATOM 0 HA SER A 6 4.638 9.020 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.786 11.800 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.459 11.237 1.026 1.00 0.00 H new ATOM 0 HG SER A 6 4.922 12.582 2.190 1.00 0.00 H new ATOM 99 N ILE A 7 2.803 9.027 -0.444 1.00 0.00 N ATOM 100 CA ILE A 7 1.848 8.506 -1.396 1.00 0.00 C ATOM 101 C ILE A 7 1.791 9.330 -2.667 1.00 0.00 C ATOM 102 O ILE A 7 1.632 8.779 -3.745 1.00 0.00 O ATOM 103 CB ILE A 7 0.480 8.334 -0.699 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.321 6.809 -0.597 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.708 9.033 -1.380 1.00 0.00 C ATOM 106 CD1 ILE A 7 -1.087 6.342 -0.377 1.00 0.00 C ATOM 0 H ILE A 7 2.400 9.136 0.486 1.00 0.00 H new ATOM 0 HA ILE A 7 2.174 7.522 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 7 0.469 8.833 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.702 6.355 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.943 6.446 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.617 8.847 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.521 10.106 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.829 8.643 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.104 5.254 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.469 6.762 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.713 6.670 -1.207 1.00 0.00 H new ATOM 118 N SER A 8 1.933 10.644 -2.560 1.00 0.00 N ATOM 119 CA SER A 8 1.686 11.488 -3.732 1.00 0.00 C ATOM 120 C SER A 8 2.923 11.557 -4.635 1.00 0.00 C ATOM 121 O SER A 8 2.827 11.934 -5.808 1.00 0.00 O ATOM 122 CB SER A 8 1.162 12.851 -3.265 1.00 0.00 C ATOM 123 OG SER A 8 -0.011 13.213 -3.967 1.00 0.00 O ATOM 0 H SER A 8 2.207 11.139 -1.711 1.00 0.00 H new ATOM 0 HA SER A 8 0.912 11.050 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.954 12.817 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.929 13.610 -3.416 1.00 0.00 H new ATOM 0 HG SER A 8 -0.659 12.479 -3.921 1.00 0.00 H new ATOM 129 N ASP A 9 4.085 11.125 -4.134 1.00 0.00 N ATOM 130 CA ASP A 9 5.231 10.881 -4.992 1.00 0.00 C ATOM 131 C ASP A 9 5.219 9.453 -5.558 1.00 0.00 C ATOM 132 O ASP A 9 5.797 9.200 -6.619 1.00 0.00 O ATOM 133 CB ASP A 9 6.543 11.203 -4.294 1.00 0.00 C ATOM 134 CG ASP A 9 7.676 11.248 -5.334 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.411 11.709 -6.473 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.794 10.821 -4.981 1.00 0.00 O ATOM 0 H ASP A 9 4.249 10.940 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 9 5.149 11.564 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.468 12.161 -3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.759 10.450 -3.536 1.00 0.00 H new ATOM 141 N TYR A 10 4.466 8.533 -4.947 1.00 0.00 N ATOM 142 CA TYR A 10 4.035 7.324 -5.615 1.00 0.00 C ATOM 143 C TYR A 10 3.052 7.690 -6.739 1.00 0.00 C ATOM 144 O TYR A 10 2.601 8.830 -6.899 1.00 0.00 O ATOM 145 CB TYR A 10 3.439 6.340 -4.586 1.00 0.00 C ATOM 146 CG TYR A 10 4.469 5.514 -3.862 1.00 0.00 C ATOM 147 CD1 TYR A 10 5.136 6.027 -2.738 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.784 4.234 -4.339 1.00 0.00 C ATOM 149 CE1 TYR A 10 6.209 5.309 -2.190 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.828 3.496 -3.764 1.00 0.00 C ATOM 151 CZ TYR A 10 6.558 4.041 -2.693 1.00 0.00 C ATOM 152 OH TYR A 10 7.589 3.354 -2.144 1.00 0.00 O ATOM 0 H TYR A 10 4.145 8.614 -3.982 1.00 0.00 H new ATOM 0 HA TYR A 10 4.882 6.817 -6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.859 6.902 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.746 5.672 -5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.826 6.964 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.218 3.813 -5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.774 5.733 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.070 2.514 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 10 7.680 3.600 -1.200 1.00 0.00 H new ATOM 162 N THR A 11 2.735 6.677 -7.518 1.00 0.00 N ATOM 163 CA THR A 11 1.699 6.471 -8.488 1.00 0.00 C ATOM 164 C THR A 11 0.935 5.279 -7.926 1.00 0.00 C ATOM 165 O THR A 11 1.443 4.532 -7.074 1.00 0.00 O ATOM 166 CB THR A 11 2.337 6.121 -9.839 1.00 0.00 C ATOM 167 OG1 THR A 11 3.172 5.007 -9.665 1.00 0.00 O ATOM 168 CG2 THR A 11 3.236 7.228 -10.378 1.00 0.00 C ATOM 0 H THR A 11 3.309 5.836 -7.465 1.00 0.00 H new ATOM 0 HA THR A 11 1.061 7.339 -8.653 1.00 0.00 H new ATOM 0 HB THR A 11 1.515 5.950 -10.534 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.979 5.276 -9.179 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.657 6.921 -11.335 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.651 8.138 -10.514 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.043 7.418 -9.671 1.00 0.00 H new ATOM 176 N GLU A 12 -0.281 5.095 -8.399 1.00 0.00 N ATOM 177 CA GLU A 12 -1.105 4.002 -7.898 1.00 0.00 C ATOM 178 C GLU A 12 -0.501 2.630 -8.254 1.00 0.00 C ATOM 179 O GLU A 12 -0.659 1.666 -7.502 1.00 0.00 O ATOM 180 CB GLU A 12 -2.564 4.220 -8.329 1.00 0.00 C ATOM 181 CG GLU A 12 -2.902 3.845 -9.778 1.00 0.00 C ATOM 182 CD GLU A 12 -3.467 2.428 -9.852 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.622 2.258 -9.385 1.00 0.00 O ATOM 184 OE2 GLU A 12 -2.751 1.518 -10.335 1.00 0.00 O ATOM 0 H GLU A 12 -0.719 5.673 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.115 4.000 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.208 3.642 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.813 5.271 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.626 4.552 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.007 3.918 -10.396 1.00 0.00 H new ATOM 191 N THR A 13 0.260 2.545 -9.350 1.00 0.00 N ATOM 192 CA THR A 13 0.775 1.282 -9.859 1.00 0.00 C ATOM 193 C THR A 13 2.204 0.985 -9.346 1.00 0.00 C ATOM 194 O THR A 13 2.521 -0.184 -9.143 1.00 0.00 O ATOM 195 CB THR A 13 0.660 1.274 -11.394 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.521 1.927 -11.839 1.00 0.00 O ATOM 197 CG2 THR A 13 0.640 -0.151 -11.956 1.00 0.00 C ATOM 0 H THR A 13 0.533 3.355 -9.906 1.00 0.00 H new ATOM 0 HA THR A 13 0.169 0.462 -9.473 1.00 0.00 H new ATOM 0 HB THR A 13 1.540 1.806 -11.757 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.257 1.727 -11.224 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.558 -0.113 -13.042 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.561 -0.664 -11.680 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.213 -0.692 -11.547 1.00 0.00 H new ATOM 205 N GLU A 14 3.062 1.969 -9.028 1.00 0.00 N ATOM 206 CA GLU A 14 4.259 1.704 -8.227 1.00 0.00 C ATOM 207 C GLU A 14 3.860 1.162 -6.860 1.00 0.00 C ATOM 208 O GLU A 14 4.482 0.226 -6.350 1.00 0.00 O ATOM 209 CB GLU A 14 5.047 2.994 -8.007 1.00 0.00 C ATOM 210 CG GLU A 14 5.708 3.498 -9.289 1.00 0.00 C ATOM 211 CD GLU A 14 6.304 4.893 -9.061 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.560 5.786 -8.588 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.511 5.123 -9.289 1.00 0.00 O ATOM 0 H GLU A 14 2.948 2.942 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 14 4.870 0.978 -8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.379 3.763 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.812 2.825 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.491 2.806 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.975 3.534 -10.095 1.00 0.00 H new ATOM 220 N PHE A 15 2.812 1.747 -6.268 1.00 0.00 N ATOM 221 CA PHE A 15 2.321 1.261 -4.998 1.00 0.00 C ATOM 222 C PHE A 15 1.851 -0.184 -5.142 1.00 0.00 C ATOM 223 O PHE A 15 2.171 -0.997 -4.295 1.00 0.00 O ATOM 224 CB PHE A 15 1.241 2.190 -4.446 1.00 0.00 C ATOM 225 CG PHE A 15 1.052 2.035 -2.953 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.095 2.386 -2.076 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.161 1.554 -2.431 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.910 2.274 -0.690 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.353 1.481 -1.042 1.00 0.00 C ATOM 230 CZ PHE A 15 0.674 1.870 -0.167 1.00 0.00 C ATOM 0 H PHE A 15 2.303 2.544 -6.650 1.00 0.00 H new ATOM 0 HA PHE A 15 3.129 1.264 -4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.506 3.223 -4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.297 1.986 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.036 2.741 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.948 1.240 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.727 2.501 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.292 1.125 -0.646 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.513 1.858 0.901 1.00 0.00 H new ATOM 240 N LYS A 16 1.212 -0.568 -6.250 1.00 0.00 N ATOM 241 CA LYS A 16 0.969 -1.975 -6.570 1.00 0.00 C ATOM 242 C LYS A 16 2.241 -2.775 -6.418 1.00 0.00 C ATOM 243 O LYS A 16 2.166 -3.719 -5.663 1.00 0.00 O ATOM 244 CB LYS A 16 0.454 -2.053 -8.016 1.00 0.00 C ATOM 245 CG LYS A 16 -0.758 -2.946 -8.234 1.00 0.00 C ATOM 246 CD LYS A 16 -1.975 -2.233 -7.645 1.00 0.00 C ATOM 247 CE LYS A 16 -2.440 -0.954 -8.365 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.885 -1.141 -9.755 1.00 0.00 N ATOM 0 H LYS A 16 0.851 0.084 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 16 0.230 -2.394 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.205 -1.045 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.264 -2.408 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.905 -3.138 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.612 -3.913 -7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.807 -2.937 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.752 -1.979 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.258 -0.513 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.622 -0.234 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.679 -0.282 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.382 -1.949 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.909 -1.324 -9.770 1.00 0.00 H new ATOM 262 N LYS A 17 3.388 -2.433 -7.012 1.00 0.00 N ATOM 263 CA LYS A 17 4.557 -3.291 -6.884 1.00 0.00 C ATOM 264 C LYS A 17 4.925 -3.521 -5.411 1.00 0.00 C ATOM 265 O LYS A 17 5.286 -4.643 -5.084 1.00 0.00 O ATOM 266 CB LYS A 17 5.715 -2.725 -7.713 1.00 0.00 C ATOM 267 CG LYS A 17 6.527 -3.796 -8.467 1.00 0.00 C ATOM 268 CD LYS A 17 7.222 -4.889 -7.630 1.00 0.00 C ATOM 269 CE LYS A 17 6.399 -6.186 -7.534 1.00 0.00 C ATOM 270 NZ LYS A 17 7.121 -7.259 -6.820 1.00 0.00 N ATOM 0 H LYS A 17 3.526 -1.591 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 17 4.323 -4.277 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.317 -2.011 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.385 -2.173 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.858 -4.289 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.291 -3.286 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.194 -5.113 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.407 -4.507 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.460 -5.980 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.146 -6.528 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.587 -8.148 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.064 -7.383 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.221 -7.002 -5.817 1.00 0.00 H new ATOM 284 N ILE A 18 4.798 -2.528 -4.517 1.00 0.00 N ATOM 285 CA ILE A 18 5.028 -2.762 -3.076 1.00 0.00 C ATOM 286 C ILE A 18 3.968 -3.666 -2.451 1.00 0.00 C ATOM 287 O ILE A 18 4.240 -4.532 -1.623 1.00 0.00 O ATOM 288 CB ILE A 18 5.175 -1.436 -2.307 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.384 -1.680 -1.371 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.968 -0.827 -1.566 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.620 -0.621 -0.312 1.00 0.00 C ATOM 0 H ILE A 18 4.542 -1.570 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 18 5.974 -3.298 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 18 5.298 -0.647 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.247 -2.640 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.283 -1.763 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.268 0.104 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.167 -0.627 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.614 -1.528 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.490 -0.892 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.796 0.341 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.744 -0.550 0.333 1.00 0.00 H new ATOM 303 N ILE A 19 2.732 -3.420 -2.845 1.00 0.00 N ATOM 304 CA ILE A 19 1.559 -4.110 -2.326 1.00 0.00 C ATOM 305 C ILE A 19 1.463 -5.561 -2.864 1.00 0.00 C ATOM 306 O ILE A 19 0.870 -6.457 -2.261 1.00 0.00 O ATOM 307 CB ILE A 19 0.349 -3.205 -2.636 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.389 -1.879 -1.855 1.00 0.00 C ATOM 309 CG2 ILE A 19 -1.009 -3.828 -2.363 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.533 -2.008 -0.351 1.00 0.00 C ATOM 0 H ILE A 19 2.508 -2.719 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 19 1.608 -4.259 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 19 0.450 -3.041 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.219 -1.281 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.525 -1.325 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.794 -3.114 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.127 -4.724 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.082 -4.094 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.550 -1.016 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.310 -2.573 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.462 -2.529 -0.118 1.00 0.00 H new ATOM 322 N GLU A 20 2.093 -5.828 -3.992 1.00 0.00 N ATOM 323 CA GLU A 20 2.221 -7.068 -4.686 1.00 0.00 C ATOM 324 C GLU A 20 3.388 -7.845 -4.098 1.00 0.00 C ATOM 325 O GLU A 20 3.209 -9.008 -3.740 1.00 0.00 O ATOM 326 CB GLU A 20 2.467 -6.593 -6.115 1.00 0.00 C ATOM 327 CG GLU A 20 2.527 -7.677 -7.155 1.00 0.00 C ATOM 328 CD GLU A 20 2.700 -7.074 -8.557 1.00 0.00 C ATOM 329 OE1 GLU A 20 3.732 -6.394 -8.776 1.00 0.00 O ATOM 330 OE2 GLU A 20 1.792 -7.277 -9.392 1.00 0.00 O ATOM 0 H GLU A 20 2.580 -5.084 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 20 1.370 -7.747 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.676 -5.894 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.405 -6.038 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.356 -8.350 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.615 -8.273 -7.120 1.00 0.00 H new ATOM 337 N ASP A 21 4.533 -7.170 -3.944 1.00 0.00 N ATOM 338 CA ASP A 21 5.739 -7.605 -3.208 1.00 0.00 C ATOM 339 C ASP A 21 5.292 -8.426 -1.997 1.00 0.00 C ATOM 340 O ASP A 21 5.664 -9.590 -1.834 1.00 0.00 O ATOM 341 CB ASP A 21 6.569 -6.391 -2.699 1.00 0.00 C ATOM 342 CG ASP A 21 7.921 -6.091 -3.343 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.208 -6.619 -4.436 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.660 -5.267 -2.746 1.00 0.00 O ATOM 0 H ASP A 21 4.656 -6.244 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 21 6.364 -8.190 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.949 -5.501 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.738 -6.533 -1.632 1.00 0.00 H new ATOM 349 N ILE A 22 4.443 -7.814 -1.168 1.00 0.00 N ATOM 350 CA ILE A 22 3.920 -8.413 0.044 1.00 0.00 C ATOM 351 C ILE A 22 2.976 -9.581 -0.188 1.00 0.00 C ATOM 352 O ILE A 22 3.237 -10.659 0.335 1.00 0.00 O ATOM 353 CB ILE A 22 3.270 -7.358 0.948 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.191 -6.441 0.360 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.406 -6.503 1.517 1.00 0.00 C ATOM 356 CD1 ILE A 22 1.761 -5.250 1.225 1.00 0.00 C ATOM 0 H ILE A 22 4.098 -6.868 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 22 4.788 -8.835 0.551 1.00 0.00 H new ATOM 0 HB ILE A 22 2.705 -7.931 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.552 -6.057 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.309 -7.045 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.991 -5.735 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.086 -7.135 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.950 -6.030 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.995 -4.678 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.360 -5.613 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.622 -4.611 1.418 1.00 0.00 H new ATOM 368 N ILE A 23 1.852 -9.356 -0.865 1.00 0.00 N ATOM 369 CA ILE A 23 0.802 -10.380 -0.962 1.00 0.00 C ATOM 370 C ILE A 23 1.324 -11.689 -1.584 1.00 0.00 C ATOM 371 O ILE A 23 0.933 -12.764 -1.133 1.00 0.00 O ATOM 372 CB ILE A 23 -0.441 -9.825 -1.697 1.00 0.00 C ATOM 373 CG1 ILE A 23 -1.160 -8.695 -0.916 1.00 0.00 C ATOM 374 CG2 ILE A 23 -1.476 -10.920 -2.033 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.738 -9.072 0.457 1.00 0.00 C ATOM 0 H ILE A 23 1.641 -8.485 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 23 0.491 -10.636 0.051 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.039 -9.413 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.456 -7.875 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.972 -8.315 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.326 -10.472 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.016 -11.670 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.818 -11.393 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.215 -8.199 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.475 -9.866 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.935 -9.419 1.107 1.00 0.00 H new ATOM 387 N ASN A 24 2.202 -11.644 -2.594 1.00 0.00 N ATOM 388 CA ASN A 24 2.855 -12.793 -3.164 1.00 0.00 C ATOM 389 C ASN A 24 3.795 -13.434 -2.161 1.00 0.00 C ATOM 390 O ASN A 24 3.894 -14.655 -2.081 1.00 0.00 O ATOM 391 CB ASN A 24 3.717 -12.209 -4.263 1.00 0.00 C ATOM 392 CG ASN A 24 2.989 -12.019 -5.553 1.00 0.00 C ATOM 393 OD1 ASN A 24 2.703 -12.942 -6.307 1.00 0.00 O ATOM 394 ND2 ASN A 24 2.711 -10.770 -5.801 1.00 0.00 N ATOM 0 H ASN A 24 2.476 -10.769 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 24 2.132 -13.541 -3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.112 -11.248 -3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.572 -12.864 -4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.229 -10.516 -6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.976 -10.046 -5.133 1.00 0.00 H new ATOM 401 N CYS A 25 4.511 -12.550 -1.469 1.00 0.00 N ATOM 402 CA CYS A 25 5.580 -12.776 -0.496 1.00 0.00 C ATOM 403 C CYS A 25 6.891 -12.947 -1.267 1.00 0.00 C ATOM 404 O CYS A 25 7.599 -13.946 -1.140 1.00 0.00 O ATOM 405 CB CYS A 25 5.299 -13.944 0.468 1.00 0.00 C ATOM 406 SG CYS A 25 3.744 -13.710 1.382 1.00 0.00 S ATOM 0 H CYS A 25 4.339 -11.552 -1.588 1.00 0.00 H new ATOM 0 HA CYS A 25 5.648 -11.909 0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.252 -14.876 -0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.124 -14.039 1.174 1.00 0.00 H new ATOM 0 HG CYS A 25 3.279 -12.518 1.150 1.00 0.00 H new ATOM 411 N GLU A 26 7.197 -11.965 -2.112 1.00 0.00 N ATOM 412 CA GLU A 26 8.325 -11.845 -2.996 1.00 0.00 C ATOM 413 C GLU A 26 9.594 -11.505 -2.196 1.00 0.00 C ATOM 414 O GLU A 26 10.260 -10.496 -2.428 1.00 0.00 O ATOM 415 CB GLU A 26 7.936 -10.801 -4.060 1.00 0.00 C ATOM 416 CG GLU A 26 8.726 -10.960 -5.362 1.00 0.00 C ATOM 417 CD GLU A 26 8.195 -10.025 -6.463 1.00 0.00 C ATOM 418 OE1 GLU A 26 6.957 -9.944 -6.644 1.00 0.00 O ATOM 419 OE2 GLU A 26 8.994 -9.328 -7.133 1.00 0.00 O ATOM 0 H GLU A 26 6.586 -11.152 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 26 8.567 -12.778 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.871 -10.886 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.102 -9.801 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.779 -10.746 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.666 -11.994 -5.701 1.00 0.00 H new ATOM 426 N GLY A 27 9.899 -12.307 -1.177 1.00 0.00 N ATOM 427 CA GLY A 27 10.766 -11.875 -0.098 1.00 0.00 C ATOM 428 C GLY A 27 11.119 -12.960 0.910 1.00 0.00 C ATOM 429 O GLY A 27 11.075 -14.153 0.627 1.00 0.00 O ATOM 0 H GLY A 27 9.554 -13.262 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.688 -11.483 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.284 -11.052 0.429 1.00 0.00 H new ATOM 433 N ASP A 28 11.560 -12.490 2.077 1.00 0.00 N ATOM 434 CA ASP A 28 12.262 -13.246 3.118 1.00 0.00 C ATOM 435 C ASP A 28 11.787 -12.758 4.496 1.00 0.00 C ATOM 436 O ASP A 28 12.584 -12.550 5.391 1.00 0.00 O ATOM 437 CB ASP A 28 13.778 -13.042 2.904 1.00 0.00 C ATOM 438 CG ASP A 28 14.682 -13.658 3.987 1.00 0.00 C ATOM 439 OD1 ASP A 28 14.474 -14.821 4.386 1.00 0.00 O ATOM 440 OD2 ASP A 28 15.578 -12.942 4.495 1.00 0.00 O ATOM 0 H ASP A 28 11.430 -11.513 2.338 1.00 0.00 H new ATOM 0 HA ASP A 28 12.048 -14.313 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.053 -13.468 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.980 -11.972 2.850 1.00 0.00 H new ATOM 445 N GLU A 29 10.506 -12.402 4.652 1.00 0.00 N ATOM 446 CA GLU A 29 9.806 -11.839 5.824 1.00 0.00 C ATOM 447 C GLU A 29 10.125 -10.357 5.902 1.00 0.00 C ATOM 448 O GLU A 29 9.266 -9.494 5.984 1.00 0.00 O ATOM 449 CB GLU A 29 10.193 -12.530 7.157 1.00 0.00 C ATOM 450 CG GLU A 29 10.288 -14.070 7.208 1.00 0.00 C ATOM 451 CD GLU A 29 11.192 -14.546 8.365 1.00 0.00 C ATOM 452 OE1 GLU A 29 12.429 -14.323 8.287 1.00 0.00 O ATOM 453 OE2 GLU A 29 10.659 -15.138 9.327 1.00 0.00 O ATOM 0 H GLU A 29 9.857 -12.513 3.873 1.00 0.00 H new ATOM 0 HA GLU A 29 8.738 -12.010 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.160 -12.131 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.467 -12.221 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.290 -14.493 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.681 -14.442 6.262 1.00 0.00 H new ATOM 460 N LYS A 30 11.401 -10.072 5.789 1.00 0.00 N ATOM 461 CA LYS A 30 12.068 -8.829 6.080 1.00 0.00 C ATOM 462 C LYS A 30 11.740 -7.763 5.064 1.00 0.00 C ATOM 463 O LYS A 30 11.545 -6.610 5.399 1.00 0.00 O ATOM 464 CB LYS A 30 13.564 -9.179 6.112 1.00 0.00 C ATOM 465 CG LYS A 30 13.844 -10.239 7.202 1.00 0.00 C ATOM 466 CD LYS A 30 15.249 -10.862 7.194 1.00 0.00 C ATOM 467 CE LYS A 30 15.240 -12.249 7.874 1.00 0.00 C ATOM 468 NZ LYS A 30 14.566 -13.290 7.062 1.00 0.00 N ATOM 0 H LYS A 30 12.061 -10.776 5.458 1.00 0.00 H new ATOM 0 HA LYS A 30 11.743 -8.402 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.877 -9.557 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.150 -8.281 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.677 -9.781 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.113 -11.040 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.603 -10.958 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.946 -10.203 7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.267 -12.558 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.741 -12.170 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.973 -13.882 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.970 -12.836 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.281 -13.884 6.596 1.00 0.00 H new ATOM 482 N LYS A 31 11.632 -8.177 3.814 1.00 0.00 N ATOM 483 CA LYS A 31 11.072 -7.447 2.721 1.00 0.00 C ATOM 484 C LYS A 31 9.623 -7.055 3.037 1.00 0.00 C ATOM 485 O LYS A 31 9.244 -5.915 2.808 1.00 0.00 O ATOM 486 CB LYS A 31 11.264 -8.356 1.500 1.00 0.00 C ATOM 487 CG LYS A 31 10.350 -8.131 0.306 1.00 0.00 C ATOM 488 CD LYS A 31 10.592 -6.874 -0.546 1.00 0.00 C ATOM 489 CE LYS A 31 10.086 -5.613 0.159 1.00 0.00 C ATOM 490 NZ LYS A 31 10.148 -4.387 -0.648 1.00 0.00 N ATOM 0 H LYS A 31 11.961 -9.100 3.530 1.00 0.00 H new ATOM 0 HA LYS A 31 11.555 -6.490 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.294 -8.249 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.142 -9.389 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.429 -9.000 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.323 -8.098 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.657 -6.773 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.089 -6.982 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.053 -5.776 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.670 -5.463 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.050 -3.558 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.061 -4.343 -1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.376 -4.391 -1.345 1.00 0.00 H new ATOM 504 N GLN A 32 8.783 -7.972 3.515 1.00 0.00 N ATOM 505 CA GLN A 32 7.393 -7.625 3.761 1.00 0.00 C ATOM 506 C GLN A 32 7.253 -6.800 5.047 1.00 0.00 C ATOM 507 O GLN A 32 6.348 -5.970 5.088 1.00 0.00 O ATOM 508 CB GLN A 32 6.458 -8.839 3.591 1.00 0.00 C ATOM 509 CG GLN A 32 6.937 -10.176 4.173 1.00 0.00 C ATOM 510 CD GLN A 32 6.305 -11.377 3.486 1.00 0.00 C ATOM 511 OE1 GLN A 32 7.023 -12.207 2.940 1.00 0.00 O ATOM 512 NE2 GLN A 32 4.989 -11.483 3.476 1.00 0.00 N ATOM 0 H GLN A 32 9.036 -8.936 3.734 1.00 0.00 H new ATOM 0 HA GLN A 32 7.034 -6.948 2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.499 -8.595 4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.276 -8.979 2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.021 -10.240 4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.705 -10.208 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.417 -10.777 3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.544 -12.271 3.005 1.00 0.00 H new ATOM 521 N ASP A 33 8.173 -6.923 6.016 1.00 0.00 N ATOM 522 CA ASP A 33 8.322 -5.956 7.128 1.00 0.00 C ATOM 523 C ASP A 33 8.718 -4.557 6.642 1.00 0.00 C ATOM 524 O ASP A 33 8.155 -3.554 7.074 1.00 0.00 O ATOM 525 CB ASP A 33 9.397 -6.460 8.104 1.00 0.00 C ATOM 526 CG ASP A 33 9.254 -5.886 9.518 1.00 0.00 C ATOM 527 OD1 ASP A 33 8.123 -5.934 10.052 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.303 -5.514 10.093 1.00 0.00 O ATOM 0 H ASP A 33 8.838 -7.695 6.056 1.00 0.00 H new ATOM 0 HA ASP A 33 7.351 -5.879 7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.349 -7.548 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.381 -6.202 7.713 1.00 0.00 H new ATOM 533 N ASP A 34 9.659 -4.504 5.697 1.00 0.00 N ATOM 534 CA ASP A 34 10.173 -3.287 5.053 1.00 0.00 C ATOM 535 C ASP A 34 9.037 -2.540 4.371 1.00 0.00 C ATOM 536 O ASP A 34 8.830 -1.348 4.606 1.00 0.00 O ATOM 537 CB ASP A 34 11.302 -3.628 4.049 1.00 0.00 C ATOM 538 CG ASP A 34 11.379 -2.767 2.768 1.00 0.00 C ATOM 539 OD1 ASP A 34 10.737 -3.147 1.753 1.00 0.00 O ATOM 540 OD2 ASP A 34 12.200 -1.827 2.736 1.00 0.00 O ATOM 0 H ASP A 34 10.107 -5.348 5.341 1.00 0.00 H new ATOM 0 HA ASP A 34 10.600 -2.639 5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.256 -3.547 4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.188 -4.670 3.751 1.00 0.00 H new ATOM 545 N ASN A 35 8.240 -3.277 3.594 1.00 0.00 N ATOM 546 CA ASN A 35 6.980 -2.756 3.101 1.00 0.00 C ATOM 547 C ASN A 35 6.126 -2.278 4.260 1.00 0.00 C ATOM 548 O ASN A 35 5.526 -1.231 4.129 1.00 0.00 O ATOM 549 CB ASN A 35 6.177 -3.780 2.294 1.00 0.00 C ATOM 550 CG ASN A 35 4.723 -3.314 2.155 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.368 -2.616 1.221 1.00 0.00 O ATOM 552 ND2 ASN A 35 3.848 -3.662 3.091 1.00 0.00 N ATOM 0 H ASN A 35 8.450 -4.230 3.298 1.00 0.00 H new ATOM 0 HA ASN A 35 7.232 -1.932 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.622 -3.908 1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.211 -4.751 2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.880 -3.345 3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.143 -4.246 3.873 1.00 0.00 H new ATOM 559 N LEU A 36 5.936 -3.066 5.315 1.00 0.00 N ATOM 560 CA LEU A 36 4.930 -2.812 6.324 1.00 0.00 C ATOM 561 C LEU A 36 5.042 -1.463 7.017 1.00 0.00 C ATOM 562 O LEU A 36 4.037 -0.759 7.125 1.00 0.00 O ATOM 563 CB LEU A 36 4.844 -4.055 7.230 1.00 0.00 C ATOM 564 CG LEU A 36 3.637 -4.886 6.806 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.714 -6.318 7.341 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.321 -4.247 7.264 1.00 0.00 C ATOM 0 H LEU A 36 6.486 -3.907 5.489 1.00 0.00 H new ATOM 0 HA LEU A 36 3.957 -2.682 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.757 -4.645 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.749 -3.756 8.274 1.00 0.00 H new ATOM 0 HG LEU A 36 3.657 -4.917 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.835 -6.875 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.613 -6.802 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.749 -6.298 8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.484 -4.868 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.316 -4.164 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.226 -3.254 6.824 1.00 0.00 H new ATOM 578 N GLU A 37 6.253 -1.062 7.370 1.00 0.00 N ATOM 579 CA GLU A 37 6.547 0.311 7.805 1.00 0.00 C ATOM 580 C GLU A 37 6.148 1.271 6.700 1.00 0.00 C ATOM 581 O GLU A 37 5.405 2.219 6.937 1.00 0.00 O ATOM 582 CB GLU A 37 8.042 0.482 8.148 1.00 0.00 C ATOM 583 CG GLU A 37 8.378 1.809 8.875 1.00 0.00 C ATOM 584 CD GLU A 37 8.186 3.122 8.081 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.565 3.184 6.889 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.693 4.104 8.690 1.00 0.00 O ATOM 0 H GLU A 37 7.068 -1.675 7.366 1.00 0.00 H new ATOM 0 HA GLU A 37 5.977 0.526 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.358 -0.353 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.623 0.427 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.764 1.866 9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.417 1.761 9.201 1.00 0.00 H new ATOM 593 N HIS A 38 6.604 1.018 5.480 1.00 0.00 N ATOM 594 CA HIS A 38 6.388 1.940 4.395 1.00 0.00 C ATOM 595 C HIS A 38 4.892 2.148 4.115 1.00 0.00 C ATOM 596 O HIS A 38 4.427 3.281 4.035 1.00 0.00 O ATOM 597 CB HIS A 38 7.164 1.437 3.182 1.00 0.00 C ATOM 598 CG HIS A 38 7.360 2.558 2.226 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.032 3.720 2.514 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.756 2.687 1.014 1.00 0.00 C ATOM 601 CE1 HIS A 38 7.837 4.545 1.480 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.107 3.945 0.523 1.00 0.00 N ATOM 0 H HIS A 38 7.125 0.179 5.226 1.00 0.00 H new ATOM 0 HA HIS A 38 6.761 2.929 4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.129 1.036 3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.621 0.624 2.700 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.575 3.916 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.127 1.957 0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.214 5.555 1.421 1.00 0.00 H new ATOM 610 N PHE A 39 4.130 1.060 4.030 1.00 0.00 N ATOM 611 CA PHE A 39 2.682 0.925 3.943 1.00 0.00 C ATOM 612 C PHE A 39 1.962 1.552 5.142 1.00 0.00 C ATOM 613 O PHE A 39 0.757 1.802 5.060 1.00 0.00 O ATOM 614 CB PHE A 39 2.346 -0.573 3.872 1.00 0.00 C ATOM 615 CG PHE A 39 0.874 -0.856 3.666 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.297 -0.462 2.457 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.089 -1.527 4.620 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.044 -0.749 2.153 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.246 -1.846 4.306 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.820 -1.442 3.093 1.00 0.00 C ATOM 0 H PHE A 39 4.571 0.140 4.019 1.00 0.00 H new ATOM 0 HA PHE A 39 2.340 1.454 3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.912 -1.025 3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.674 -1.054 4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.896 0.077 1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.504 -1.794 5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.471 -0.441 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.837 -2.411 5.011 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.856 -1.664 2.883 1.00 0.00 H new ATOM 630 N ILE A 40 2.650 1.853 6.238 1.00 0.00 N ATOM 631 CA ILE A 40 2.135 2.811 7.213 1.00 0.00 C ATOM 632 C ILE A 40 2.446 4.233 6.760 1.00 0.00 C ATOM 633 O ILE A 40 1.533 5.053 6.594 1.00 0.00 O ATOM 634 CB ILE A 40 2.692 2.545 8.654 1.00 0.00 C ATOM 635 CG1 ILE A 40 2.481 1.169 9.291 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.211 3.621 9.653 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.251 0.514 8.742 1.00 0.00 C ATOM 0 H ILE A 40 3.558 1.452 6.474 1.00 0.00 H new ATOM 0 HA ILE A 40 1.054 2.684 7.267 1.00 0.00 H new ATOM 0 HB ILE A 40 3.764 2.589 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.350 0.538 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.392 1.273 10.372 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.616 3.406 10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.556 4.602 9.325 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.122 3.615 9.697 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.120 -0.463 9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.382 1.137 8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.355 0.390 7.664 1.00 0.00 H new ATOM 649 N SER A 41 3.727 4.528 6.576 1.00 0.00 N ATOM 650 CA SER A 41 4.245 5.865 6.603 1.00 0.00 C ATOM 651 C SER A 41 3.807 6.679 5.384 1.00 0.00 C ATOM 652 O SER A 41 3.354 7.819 5.485 1.00 0.00 O ATOM 653 CB SER A 41 5.756 5.758 6.762 1.00 0.00 C ATOM 654 OG SER A 41 6.202 6.143 8.044 1.00 0.00 O ATOM 0 H SER A 41 4.440 3.820 6.401 1.00 0.00 H new ATOM 0 HA SER A 41 3.837 6.423 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.065 4.731 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.240 6.383 6.012 1.00 0.00 H new ATOM 0 HG SER A 41 6.664 5.391 8.469 1.00 0.00 H new ATOM 660 N VAL A 42 3.944 6.066 4.214 1.00 0.00 N ATOM 661 CA VAL A 42 3.611 6.595 2.904 1.00 0.00 C ATOM 662 C VAL A 42 2.102 6.747 2.775 1.00 0.00 C ATOM 663 O VAL A 42 1.649 7.755 2.229 1.00 0.00 O ATOM 664 CB VAL A 42 4.285 5.684 1.891 1.00 0.00 C ATOM 665 CG1 VAL A 42 3.514 4.488 1.351 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.794 6.433 0.698 1.00 0.00 C ATOM 0 H VAL A 42 4.318 5.119 4.156 1.00 0.00 H new ATOM 0 HA VAL A 42 3.983 7.604 2.727 1.00 0.00 H new ATOM 0 HB VAL A 42 5.077 5.277 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.137 3.944 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.242 3.828 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.610 4.834 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.266 5.736 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.963 6.932 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.524 7.176 1.019 1.00 0.00 H new ATOM 676 N THR A 43 1.334 5.761 3.246 1.00 0.00 N ATOM 677 CA THR A 43 -0.082 5.643 3.017 1.00 0.00 C ATOM 678 C THR A 43 -0.896 6.624 3.841 1.00 0.00 C ATOM 679 O THR A 43 -1.924 7.098 3.351 1.00 0.00 O ATOM 680 CB THR A 43 -0.500 4.201 3.263 1.00 0.00 C ATOM 681 OG1 THR A 43 0.574 3.320 3.044 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.557 3.751 2.294 1.00 0.00 C ATOM 0 H THR A 43 1.709 5.003 3.816 1.00 0.00 H new ATOM 0 HA THR A 43 -0.290 5.907 1.980 1.00 0.00 H new ATOM 0 HB THR A 43 -0.858 4.178 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.447 2.510 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.827 2.716 2.505 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.438 4.384 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.173 3.826 1.276 1.00 0.00 H new ATOM 690 N GLU A 44 -0.465 6.897 5.077 1.00 0.00 N ATOM 691 CA GLU A 44 -1.224 7.589 6.119 1.00 0.00 C ATOM 692 C GLU A 44 -2.492 6.793 6.503 1.00 0.00 C ATOM 693 O GLU A 44 -3.312 7.291 7.272 1.00 0.00 O ATOM 694 CB GLU A 44 -1.531 9.058 5.729 1.00 0.00 C ATOM 695 CG GLU A 44 -0.300 9.925 5.383 1.00 0.00 C ATOM 696 CD GLU A 44 -0.688 11.153 4.545 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.552 11.954 4.964 1.00 0.00 O ATOM 698 OE2 GLU A 44 -0.271 11.250 3.365 1.00 0.00 O ATOM 0 H GLU A 44 0.467 6.628 5.391 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.600 7.640 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.204 9.055 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.066 9.530 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.186 10.251 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.426 9.324 4.834 1.00 0.00 H new ATOM 705 N HIS A 45 -2.671 5.570 5.978 1.00 0.00 N ATOM 706 CA HIS A 45 -3.828 4.713 6.233 1.00 0.00 C ATOM 707 C HIS A 45 -3.649 4.082 7.631 1.00 0.00 C ATOM 708 O HIS A 45 -2.824 3.181 7.781 1.00 0.00 O ATOM 709 CB HIS A 45 -4.012 3.646 5.123 1.00 0.00 C ATOM 710 CG HIS A 45 -5.288 2.831 5.335 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.538 2.088 6.471 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.428 2.754 4.555 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.812 1.669 6.431 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.389 2.055 5.290 1.00 0.00 N ATOM 0 H HIS A 45 -1.993 5.143 5.347 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.743 5.305 6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.049 4.135 4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.150 2.979 5.112 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.552 3.159 3.562 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.300 1.101 7.209 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.352 1.873 5.008 1.00 0.00 H new ATOM 722 N PRO A 46 -4.414 4.487 8.659 1.00 0.00 N ATOM 723 CA PRO A 46 -4.098 4.230 10.061 1.00 0.00 C ATOM 724 C PRO A 46 -4.147 2.750 10.442 1.00 0.00 C ATOM 725 O PRO A 46 -3.353 2.321 11.272 1.00 0.00 O ATOM 726 CB PRO A 46 -5.114 5.049 10.867 1.00 0.00 C ATOM 727 CG PRO A 46 -6.292 5.219 9.907 1.00 0.00 C ATOM 728 CD PRO A 46 -5.598 5.308 8.557 1.00 0.00 C ATOM 0 HA PRO A 46 -3.069 4.521 10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.413 4.531 11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.702 6.012 11.169 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.981 4.376 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.870 6.116 10.127 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.251 4.953 7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.337 6.340 8.320 1.00 0.00 H new ATOM 736 N SER A 47 -5.062 1.973 9.857 1.00 0.00 N ATOM 737 CA SER A 47 -5.191 0.546 10.135 1.00 0.00 C ATOM 738 C SER A 47 -4.005 -0.269 9.603 1.00 0.00 C ATOM 739 O SER A 47 -3.853 -1.426 9.984 1.00 0.00 O ATOM 740 CB SER A 47 -6.483 0.038 9.491 1.00 0.00 C ATOM 741 OG SER A 47 -7.550 0.957 9.679 1.00 0.00 O ATOM 0 H SER A 47 -5.736 2.321 9.175 1.00 0.00 H new ATOM 0 HA SER A 47 -5.210 0.417 11.217 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.322 -0.122 8.425 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.751 -0.927 9.921 1.00 0.00 H new ATOM 0 HG SER A 47 -8.362 0.607 9.256 1.00 0.00 H new ATOM 747 N GLY A 48 -3.178 0.313 8.721 1.00 0.00 N ATOM 748 CA GLY A 48 -2.024 -0.343 8.136 1.00 0.00 C ATOM 749 C GLY A 48 -2.317 -1.775 7.721 1.00 0.00 C ATOM 750 O GLY A 48 -3.193 -2.058 6.901 1.00 0.00 O ATOM 0 H GLY A 48 -3.305 1.271 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.691 0.223 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.204 -0.337 8.854 1.00 0.00 H new ATOM 754 N SER A 49 -1.563 -2.654 8.360 1.00 0.00 N ATOM 755 CA SER A 49 -1.519 -4.099 8.230 1.00 0.00 C ATOM 756 C SER A 49 -2.861 -4.813 8.229 1.00 0.00 C ATOM 757 O SER A 49 -2.934 -5.921 7.699 1.00 0.00 O ATOM 758 CB SER A 49 -0.657 -4.645 9.378 1.00 0.00 C ATOM 759 OG SER A 49 -0.911 -3.967 10.602 1.00 0.00 O ATOM 0 H SER A 49 -0.893 -2.335 9.060 1.00 0.00 H new ATOM 0 HA SER A 49 -1.104 -4.300 7.243 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.854 -5.709 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.397 -4.545 9.120 1.00 0.00 H new ATOM 0 HG SER A 49 -0.345 -4.344 11.308 1.00 0.00 H new ATOM 765 N ASP A 50 -3.920 -4.223 8.773 1.00 0.00 N ATOM 766 CA ASP A 50 -5.226 -4.811 8.803 1.00 0.00 C ATOM 767 C ASP A 50 -5.706 -5.086 7.380 1.00 0.00 C ATOM 768 O ASP A 50 -6.350 -6.099 7.136 1.00 0.00 O ATOM 769 CB ASP A 50 -6.136 -3.795 9.499 1.00 0.00 C ATOM 770 CG ASP A 50 -5.962 -3.634 11.017 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.105 -4.333 11.607 1.00 0.00 O ATOM 772 OD2 ASP A 50 -6.700 -2.788 11.575 1.00 0.00 O ATOM 0 H ASP A 50 -3.878 -3.303 9.211 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.229 -5.763 9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.977 -2.822 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.171 -4.076 9.304 1.00 0.00 H new ATOM 777 N LEU A 51 -5.332 -4.252 6.404 1.00 0.00 N ATOM 778 CA LEU A 51 -5.768 -4.427 5.022 1.00 0.00 C ATOM 779 C LEU A 51 -5.050 -5.593 4.348 1.00 0.00 C ATOM 780 O LEU A 51 -5.538 -6.102 3.340 1.00 0.00 O ATOM 781 CB LEU A 51 -5.450 -3.139 4.265 1.00 0.00 C ATOM 782 CG LEU A 51 -6.484 -2.015 4.443 1.00 0.00 C ATOM 783 CD1 LEU A 51 -6.956 -1.739 5.878 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.826 -0.754 3.901 1.00 0.00 C ATOM 0 H LEU A 51 -4.725 -3.446 6.551 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.836 -4.645 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.477 -2.773 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.364 -3.370 3.203 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.387 -2.329 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.682 -0.926 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.419 -2.637 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.102 -1.458 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.513 0.086 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.917 -0.547 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.576 -0.897 2.850 1.00 0.00 H new ATOM 796 N ILE A 52 -3.888 -5.973 4.882 1.00 0.00 N ATOM 797 CA ILE A 52 -3.028 -7.027 4.373 1.00 0.00 C ATOM 798 C ILE A 52 -3.436 -8.351 5.045 1.00 0.00 C ATOM 799 O ILE A 52 -3.433 -9.383 4.377 1.00 0.00 O ATOM 800 CB ILE A 52 -1.557 -6.634 4.601 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.157 -5.388 3.778 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.511 -7.731 4.337 1.00 0.00 C ATOM 803 CD1 ILE A 52 0.134 -4.730 4.282 1.00 0.00 C ATOM 0 H ILE A 52 -3.509 -5.530 5.719 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.141 -7.166 3.298 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.536 -6.430 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.030 -5.674 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.968 -4.660 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.487 -7.337 4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.700 -8.580 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.577 -8.055 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.364 -3.861 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.002 -4.416 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.954 -5.445 4.222 1.00 0.00 H new ATOM 815 N TYR A 53 -3.783 -8.349 6.345 1.00 0.00 N ATOM 816 CA TYR A 53 -3.872 -9.562 7.142 1.00 0.00 C ATOM 817 C TYR A 53 -5.260 -9.831 7.726 1.00 0.00 C ATOM 818 O TYR A 53 -5.558 -10.987 8.031 1.00 0.00 O ATOM 819 CB TYR A 53 -2.846 -9.440 8.274 1.00 0.00 C ATOM 820 CG TYR A 53 -1.376 -9.482 7.875 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.898 -10.425 6.943 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.469 -8.593 8.483 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.467 -10.463 6.604 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.899 -8.629 8.156 1.00 0.00 C ATOM 825 CZ TYR A 53 1.372 -9.563 7.206 1.00 0.00 C ATOM 826 OH TYR A 53 2.692 -9.610 6.871 1.00 0.00 O ATOM 0 H TYR A 53 -4.008 -7.499 6.863 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.669 -10.408 6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.029 -8.502 8.799 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.028 -10.245 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.584 -11.123 6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.827 -7.876 9.207 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.823 -11.183 5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.587 -7.944 8.630 1.00 0.00 H new ATOM 0 HH TYR A 53 2.784 -9.922 5.946 1.00 0.00 H new ATOM 836 N TYR A 54 -6.118 -8.818 7.864 1.00 0.00 N ATOM 837 CA TYR A 54 -7.477 -8.946 8.391 1.00 0.00 C ATOM 838 C TYR A 54 -8.457 -8.269 7.411 1.00 0.00 C ATOM 839 O TYR A 54 -9.177 -7.349 7.807 1.00 0.00 O ATOM 840 CB TYR A 54 -7.547 -8.343 9.812 1.00 0.00 C ATOM 841 CG TYR A 54 -6.399 -8.660 10.761 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.957 -9.981 10.970 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.751 -7.603 11.426 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.849 -10.236 11.801 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.645 -7.843 12.255 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.183 -9.164 12.439 1.00 0.00 C ATOM 847 OH TYR A 54 -3.100 -9.406 13.228 1.00 0.00 O ATOM 0 H TYR A 54 -5.880 -7.861 7.605 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.761 -9.995 8.478 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.616 -7.259 9.716 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.473 -8.681 10.277 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.470 -10.802 10.491 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.110 -6.593 11.296 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.508 -11.250 11.951 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.149 -7.021 12.750 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.762 -8.560 13.588 1.00 0.00 H new ATOM 857 N PRO A 55 -8.457 -8.654 6.119 1.00 0.00 N ATOM 858 CA PRO A 55 -9.087 -7.855 5.083 1.00 0.00 C ATOM 859 C PRO A 55 -10.620 -7.849 5.181 1.00 0.00 C ATOM 860 O PRO A 55 -11.246 -8.651 5.876 1.00 0.00 O ATOM 861 CB PRO A 55 -8.589 -8.455 3.769 1.00 0.00 C ATOM 862 CG PRO A 55 -8.337 -9.909 4.096 1.00 0.00 C ATOM 863 CD PRO A 55 -7.815 -9.824 5.529 1.00 0.00 C ATOM 0 HA PRO A 55 -8.820 -6.802 5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.330 -8.348 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.680 -7.961 3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.246 -10.507 4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.608 -10.359 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.059 -10.727 6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.730 -9.723 5.544 1.00 0.00 H new ATOM 871 N GLU A 56 -11.204 -6.912 4.436 1.00 0.00 N ATOM 872 CA GLU A 56 -12.628 -6.763 4.182 1.00 0.00 C ATOM 873 C GLU A 56 -13.170 -7.914 3.330 1.00 0.00 C ATOM 874 O GLU A 56 -12.503 -8.896 3.022 1.00 0.00 O ATOM 875 CB GLU A 56 -12.855 -5.413 3.460 1.00 0.00 C ATOM 876 CG GLU A 56 -13.707 -4.393 4.224 1.00 0.00 C ATOM 877 CD GLU A 56 -15.212 -4.683 4.131 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.627 -5.221 3.076 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.934 -4.392 5.107 1.00 0.00 O ATOM 0 H GLU A 56 -10.656 -6.192 3.965 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.164 -6.783 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.884 -4.965 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.330 -5.610 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.407 -4.389 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.509 -3.395 3.832 1.00 0.00 H new ATOM 886 N GLY A 57 -14.400 -7.710 2.887 1.00 0.00 N ATOM 887 CA GLY A 57 -15.086 -8.500 1.868 1.00 0.00 C ATOM 888 C GLY A 57 -15.157 -7.780 0.528 1.00 0.00 C ATOM 889 O GLY A 57 -15.335 -8.402 -0.512 1.00 0.00 O ATOM 0 H GLY A 57 -14.980 -6.951 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.569 -9.451 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.096 -8.730 2.208 1.00 0.00 H new ATOM 893 N ASN A 58 -14.952 -6.468 0.557 1.00 0.00 N ATOM 894 CA ASN A 58 -14.550 -5.636 -0.573 1.00 0.00 C ATOM 895 C ASN A 58 -13.110 -5.947 -1.028 1.00 0.00 C ATOM 896 O ASN A 58 -12.621 -5.351 -1.991 1.00 0.00 O ATOM 897 CB ASN A 58 -14.648 -4.174 -0.116 1.00 0.00 C ATOM 898 CG ASN A 58 -14.563 -3.164 -1.241 1.00 0.00 C ATOM 899 OD1 ASN A 58 -15.301 -3.207 -2.219 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.729 -2.160 -1.080 1.00 0.00 N ATOM 0 H ASN A 58 -15.068 -5.927 1.414 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.202 -5.834 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.591 -4.033 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.849 -3.974 0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.693 -1.411 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.118 -2.131 -0.264 1.00 0.00 H new ATOM 907 N ASN A 59 -12.393 -6.808 -0.297 1.00 0.00 N ATOM 908 CA ASN A 59 -10.965 -7.046 -0.378 1.00 0.00 C ATOM 909 C ASN A 59 -10.681 -8.532 -0.312 1.00 0.00 C ATOM 910 O ASN A 59 -10.318 -9.091 0.717 1.00 0.00 O ATOM 911 CB ASN A 59 -10.368 -6.267 0.794 1.00 0.00 C ATOM 912 CG ASN A 59 -8.849 -6.208 0.824 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.176 -6.334 -0.192 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.305 -5.988 2.014 1.00 0.00 N ATOM 0 H ASN A 59 -12.835 -7.392 0.413 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.524 -6.712 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.755 -5.248 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.717 -6.716 1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.292 -5.918 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.900 -5.889 2.836 1.00 0.00 H new ATOM 921 N ASP A 60 -10.904 -9.158 -1.456 1.00 0.00 N ATOM 922 CA ASP A 60 -11.104 -10.588 -1.629 1.00 0.00 C ATOM 923 C ASP A 60 -10.308 -11.078 -2.834 1.00 0.00 C ATOM 924 O ASP A 60 -9.865 -12.225 -2.872 1.00 0.00 O ATOM 925 CB ASP A 60 -12.607 -10.841 -1.888 1.00 0.00 C ATOM 926 CG ASP A 60 -13.071 -10.355 -3.278 1.00 0.00 C ATOM 927 OD1 ASP A 60 -12.715 -9.204 -3.643 1.00 0.00 O ATOM 928 OD2 ASP A 60 -13.718 -11.151 -3.995 1.00 0.00 O ATOM 0 H ASP A 60 -10.953 -8.652 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.771 -11.118 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.811 -11.908 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.192 -10.337 -1.119 1.00 0.00 H new ATOM 933 N GLY A 61 -10.110 -10.191 -3.813 1.00 0.00 N ATOM 934 CA GLY A 61 -9.798 -10.608 -5.158 1.00 0.00 C ATOM 935 C GLY A 61 -8.336 -10.461 -5.534 1.00 0.00 C ATOM 936 O GLY A 61 -7.838 -11.206 -6.378 1.00 0.00 O ATOM 0 H GLY A 61 -10.163 -9.180 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.089 -11.651 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.401 -10.026 -5.855 1.00 0.00 H new ATOM 940 N SER A 62 -7.665 -9.433 -5.009 1.00 0.00 N ATOM 941 CA SER A 62 -6.397 -8.979 -5.562 1.00 0.00 C ATOM 942 C SER A 62 -5.738 -7.954 -4.630 1.00 0.00 C ATOM 943 O SER A 62 -6.469 -7.231 -3.956 1.00 0.00 O ATOM 944 CB SER A 62 -6.763 -8.299 -6.886 1.00 0.00 C ATOM 945 OG SER A 62 -5.643 -7.848 -7.614 1.00 0.00 O ATOM 0 H SER A 62 -7.984 -8.901 -4.199 1.00 0.00 H new ATOM 0 HA SER A 62 -5.696 -9.804 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.328 -8.999 -7.501 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.419 -7.453 -6.682 1.00 0.00 H new ATOM 0 HG SER A 62 -5.942 -7.426 -8.447 1.00 0.00 H new ATOM 951 N PRO A 63 -4.402 -7.762 -4.676 1.00 0.00 N ATOM 952 CA PRO A 63 -3.731 -6.630 -4.028 1.00 0.00 C ATOM 953 C PRO A 63 -4.247 -5.257 -4.499 1.00 0.00 C ATOM 954 O PRO A 63 -4.107 -4.247 -3.814 1.00 0.00 O ATOM 955 CB PRO A 63 -2.237 -6.794 -4.342 1.00 0.00 C ATOM 956 CG PRO A 63 -2.076 -8.226 -4.839 1.00 0.00 C ATOM 957 CD PRO A 63 -3.443 -8.579 -5.406 1.00 0.00 C ATOM 0 HA PRO A 63 -3.934 -6.644 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.915 -6.078 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.629 -6.616 -3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.298 -8.299 -5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.794 -8.899 -4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.488 -8.372 -6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.657 -9.640 -5.278 1.00 0.00 H new ATOM 965 N GLU A 64 -4.908 -5.216 -5.653 1.00 0.00 N ATOM 966 CA GLU A 64 -5.617 -4.073 -6.206 1.00 0.00 C ATOM 967 C GLU A 64 -6.672 -3.592 -5.231 1.00 0.00 C ATOM 968 O GLU A 64 -6.890 -2.394 -5.085 1.00 0.00 O ATOM 969 CB GLU A 64 -6.338 -4.517 -7.481 1.00 0.00 C ATOM 970 CG GLU A 64 -5.392 -4.662 -8.676 1.00 0.00 C ATOM 971 CD GLU A 64 -5.011 -3.318 -9.306 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.215 -2.252 -8.684 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.399 -3.309 -10.395 1.00 0.00 O ATOM 0 H GLU A 64 -4.964 -6.032 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.902 -3.275 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.835 -5.470 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.116 -3.793 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.486 -5.176 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.864 -5.290 -9.432 1.00 0.00 H new ATOM 980 N ALA A 65 -7.331 -4.530 -4.557 1.00 0.00 N ATOM 981 CA ALA A 65 -8.310 -4.233 -3.541 1.00 0.00 C ATOM 982 C ALA A 65 -7.697 -3.588 -2.299 1.00 0.00 C ATOM 983 O ALA A 65 -8.443 -2.902 -1.600 1.00 0.00 O ATOM 984 CB ALA A 65 -9.106 -5.491 -3.204 1.00 0.00 C ATOM 0 H ALA A 65 -7.191 -5.529 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.995 -3.487 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.844 -5.260 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.614 -5.851 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.429 -6.262 -2.836 1.00 0.00 H new ATOM 990 N VAL A 66 -6.381 -3.676 -2.079 1.00 0.00 N ATOM 991 CA VAL A 66 -5.749 -2.783 -1.098 1.00 0.00 C ATOM 992 C VAL A 66 -5.597 -1.395 -1.727 1.00 0.00 C ATOM 993 O VAL A 66 -5.815 -0.402 -1.049 1.00 0.00 O ATOM 994 CB VAL A 66 -4.395 -3.330 -0.599 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.721 -2.389 0.396 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.496 -4.730 0.042 1.00 0.00 C ATOM 0 H VAL A 66 -5.752 -4.329 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.387 -2.718 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.787 -3.407 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.772 -2.818 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.541 -1.425 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.368 -2.251 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.508 -5.052 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.168 -4.690 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.884 -5.438 -0.690 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.253 -1.267 -3.013 1.00 0.00 N ATOM 1007 CA ILE A 67 -5.051 0.057 -3.628 1.00 0.00 C ATOM 1008 C ILE A 67 -6.347 0.826 -3.656 1.00 0.00 C ATOM 1009 O ILE A 67 -6.339 2.033 -3.418 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.444 -0.044 -5.051 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.925 0.048 -4.919 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.831 1.048 -6.058 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.471 -1.113 -4.063 1.00 0.00 C ATOM 0 H ILE A 67 -5.109 -2.054 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.332 0.596 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.837 -0.982 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.452 0.009 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.637 0.996 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.337 0.856 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.911 1.044 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.519 2.021 -5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.388 -1.078 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.943 -1.048 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.755 -2.050 -4.541 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.431 0.115 -3.951 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.787 0.572 -3.683 1.00 0.00 C ATOM 1027 C LYS A 68 -8.804 1.204 -2.329 1.00 0.00 C ATOM 1028 O LYS A 68 -8.978 2.399 -2.237 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.804 -0.550 -3.637 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.106 -1.154 -4.977 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.452 -1.918 -4.913 1.00 0.00 C ATOM 1032 CE LYS A 68 -11.590 -3.151 -3.978 1.00 0.00 C ATOM 1033 NZ LYS A 68 -11.300 -2.954 -2.529 1.00 0.00 N ATOM 0 H LYS A 68 -7.390 -0.806 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.055 1.251 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.438 -1.332 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.729 -0.170 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.156 -0.373 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.305 -1.833 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.220 -1.201 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.689 -2.248 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.608 -3.529 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.926 -3.931 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.862 -3.626 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.288 -3.116 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.548 -1.982 -2.254 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.567 0.423 -1.297 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.803 0.794 0.058 1.00 0.00 C ATOM 1049 C GLU A 69 -7.891 1.933 0.479 1.00 0.00 C ATOM 1050 O GLU A 69 -8.204 2.638 1.421 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.532 -0.487 0.833 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.816 -1.157 1.372 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.816 -1.627 0.286 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.106 -0.902 -0.695 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -11.394 -2.730 0.398 1.00 0.00 O ATOM 0 H GLU A 69 -8.191 -0.520 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.811 1.170 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.007 -1.190 0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.868 -0.265 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.532 -2.017 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.324 -0.455 2.033 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.798 2.182 -0.232 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.907 3.261 -0.002 1.00 0.00 C ATOM 1064 C ILE A 70 -6.576 4.478 -0.627 1.00 0.00 C ATOM 1065 O ILE A 70 -6.900 5.426 0.084 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.540 2.976 -0.568 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.819 1.843 0.183 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.763 4.275 -0.438 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.366 1.134 1.427 1.00 0.00 C ATOM 0 H ILE A 70 -6.515 1.596 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.727 3.430 1.060 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.619 2.641 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.639 1.061 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.846 2.243 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.756 4.138 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.269 5.060 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.705 4.561 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.656 0.375 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.513 1.862 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.318 0.661 1.187 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.756 4.456 -1.960 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.413 5.532 -2.707 1.00 0.00 C ATOM 1083 C LYS A 71 -8.688 5.932 -1.994 1.00 0.00 C ATOM 1084 O LYS A 71 -8.876 7.121 -1.735 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.727 5.119 -4.165 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.599 5.451 -5.162 1.00 0.00 C ATOM 1087 CD LYS A 71 -6.237 4.295 -6.110 1.00 0.00 C ATOM 1088 CE LYS A 71 -7.288 3.950 -7.174 1.00 0.00 C ATOM 1089 NZ LYS A 71 -6.877 2.788 -8.008 1.00 0.00 N ATOM 0 H LYS A 71 -6.446 3.683 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.728 6.379 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.922 4.047 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.641 5.619 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.897 6.314 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.709 5.741 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.304 4.543 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.048 3.404 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.238 3.729 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.453 4.816 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.297 2.875 -8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.840 2.769 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.206 1.908 -7.563 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.531 4.972 -1.636 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.842 5.252 -1.168 1.00 0.00 C ATOM 1105 C GLU A 72 -10.876 5.525 0.340 1.00 0.00 C ATOM 1106 O GLU A 72 -11.665 6.375 0.764 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.678 4.077 -1.665 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.759 4.532 -2.632 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.202 5.346 -3.818 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.488 4.760 -4.665 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.473 6.569 -3.847 1.00 0.00 O ATOM 0 H GLU A 72 -9.304 3.978 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.258 6.182 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.031 3.351 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.137 3.571 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.288 3.659 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.489 5.137 -2.094 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.973 4.948 1.154 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.766 5.438 2.516 1.00 0.00 C ATOM 1120 C TRP A 73 -9.373 6.896 2.472 1.00 0.00 C ATOM 1121 O TRP A 73 -10.001 7.688 3.178 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.746 4.670 3.331 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.607 5.209 4.715 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.355 4.837 5.772 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.706 6.240 5.198 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -9.012 5.600 6.871 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -8.028 6.515 6.559 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.651 6.966 4.614 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -7.363 7.507 7.296 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.920 7.893 5.377 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -6.294 8.190 6.690 1.00 0.00 C ATOM 0 H TRP A 73 -9.387 4.155 0.892 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.719 5.290 3.024 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.038 3.621 3.379 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.779 4.709 2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.107 4.062 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.432 5.500 7.795 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.402 6.810 3.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.666 7.741 8.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.060 8.381 4.943 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.759 8.948 7.242 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.361 7.276 1.677 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.972 8.661 1.574 1.00 0.00 C ATOM 1144 C ARG A 74 -9.179 9.447 1.105 1.00 0.00 C ATOM 1145 O ARG A 74 -9.605 10.349 1.808 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.779 8.787 0.628 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.538 8.024 1.098 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.821 8.673 2.278 1.00 0.00 C ATOM 1149 NE ARG A 74 -4.359 10.055 2.071 1.00 0.00 N ATOM 1150 CZ ARG A 74 -3.093 10.470 2.211 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.068 9.629 2.152 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -2.849 11.756 2.434 1.00 0.00 N ATOM 0 H ARG A 74 -7.810 6.636 1.105 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.652 9.063 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.068 8.422 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.526 9.841 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.830 7.011 1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.840 7.937 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.492 8.660 3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.959 8.058 2.537 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.055 10.749 1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.233 8.635 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.116 9.977 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.622 12.418 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.888 12.082 2.542 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.793 9.153 -0.033 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.830 10.025 -0.537 1.00 0.00 C ATOM 1168 C ALA A 75 -12.075 10.110 0.335 1.00 0.00 C ATOM 1169 O ALA A 75 -12.794 11.114 0.257 1.00 0.00 O ATOM 1170 CB ALA A 75 -11.190 9.636 -1.969 1.00 0.00 C ATOM 0 H ALA A 75 -9.593 8.335 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.409 11.030 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.972 10.298 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.308 9.725 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.548 8.606 -1.987 1.00 0.00 H new ATOM 1176 N ALA A 76 -12.286 9.162 1.239 1.00 0.00 N ATOM 1177 CA ALA A 76 -13.200 9.364 2.342 1.00 0.00 C ATOM 1178 C ALA A 76 -12.628 10.251 3.430 1.00 0.00 C ATOM 1179 O ALA A 76 -13.157 11.339 3.681 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.717 8.022 2.871 1.00 0.00 C ATOM 0 H ALA A 76 -11.834 8.248 1.225 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.059 9.914 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.403 8.197 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.239 7.494 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.877 7.419 3.216 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.565 9.821 4.080 1.00 0.00 N ATOM 1187 CA ASN A 77 -11.171 10.302 5.375 1.00 0.00 C ATOM 1188 C ASN A 77 -10.181 11.444 5.256 1.00 0.00 C ATOM 1189 O ASN A 77 -9.822 12.042 6.267 1.00 0.00 O ATOM 1190 CB ASN A 77 -10.523 9.115 6.082 1.00 0.00 C ATOM 1191 CG ASN A 77 -11.558 8.071 6.465 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -12.326 8.257 7.399 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -11.643 6.988 5.713 1.00 0.00 N ATOM 0 H ASN A 77 -10.939 9.108 3.706 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.029 10.686 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.773 8.666 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.003 9.460 6.976 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.359 6.288 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.993 6.852 4.939 1.00 0.00 H new ATOM 1200 N GLY A 78 -9.743 11.774 4.039 1.00 0.00 N ATOM 1201 CA GLY A 78 -8.477 12.505 3.953 1.00 0.00 C ATOM 1202 C GLY A 78 -7.941 12.594 2.539 1.00 0.00 C ATOM 1203 O GLY A 78 -6.778 12.280 2.271 1.00 0.00 O ATOM 0 H GLY A 78 -10.208 11.565 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.617 13.512 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.737 12.015 4.586 1.00 0.00 H new ATOM 1207 N LYS A 79 -8.844 12.995 1.641 1.00 0.00 N ATOM 1208 CA LYS A 79 -8.649 13.248 0.235 1.00 0.00 C ATOM 1209 C LYS A 79 -7.269 13.816 -0.059 1.00 0.00 C ATOM 1210 O LYS A 79 -6.847 14.816 0.515 1.00 0.00 O ATOM 1211 CB LYS A 79 -9.769 14.156 -0.254 1.00 0.00 C ATOM 1212 CG LYS A 79 -11.148 13.790 0.331 1.00 0.00 C ATOM 1213 CD LYS A 79 -11.690 14.729 1.420 1.00 0.00 C ATOM 1214 CE LYS A 79 -13.218 14.604 1.569 1.00 0.00 C ATOM 1215 NZ LYS A 79 -13.684 13.217 1.799 1.00 0.00 N ATOM 0 H LYS A 79 -9.812 13.162 1.917 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.692 12.306 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.532 15.187 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.819 14.107 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.870 13.758 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.089 12.783 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.211 14.498 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.431 15.759 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.545 15.230 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.695 14.993 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.720 13.209 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.402 12.619 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.257 12.848 2.673 1.00 0.00 H new ATOM 1229 N SER A 80 -6.646 13.145 -1.007 1.00 0.00 N ATOM 1230 CA SER A 80 -5.245 13.014 -1.357 1.00 0.00 C ATOM 1231 C SER A 80 -5.181 11.601 -1.955 1.00 0.00 C ATOM 1232 O SER A 80 -6.175 10.865 -1.955 1.00 0.00 O ATOM 1233 CB SER A 80 -4.350 13.193 -0.118 1.00 0.00 C ATOM 1234 OG SER A 80 -2.979 13.035 -0.421 1.00 0.00 O ATOM 0 H SER A 80 -7.206 12.589 -1.653 1.00 0.00 H new ATOM 0 HA SER A 80 -4.882 13.770 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.514 14.183 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.638 12.468 0.643 1.00 0.00 H new ATOM 0 HG SER A 80 -2.440 13.313 0.349 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.034 11.225 -2.491 1.00 0.00 N ATOM 1241 CA GLY A 81 -3.811 9.965 -3.158 1.00 0.00 C ATOM 1242 C GLY A 81 -2.483 10.054 -3.885 1.00 0.00 C ATOM 1243 O GLY A 81 -1.744 11.040 -3.741 1.00 0.00 O ATOM 0 H GLY A 81 -3.203 11.816 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.798 9.148 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.618 9.757 -3.861 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.167 8.997 -4.628 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.020 8.968 -5.495 1.00 0.00 C ATOM 1249 C PHE A 82 -1.208 9.953 -6.645 1.00 0.00 C ATOM 1250 O PHE A 82 -2.150 10.751 -6.698 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.705 7.525 -5.956 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.214 6.392 -5.083 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.497 5.845 -5.290 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -0.382 5.853 -4.088 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -2.925 4.749 -4.518 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -0.819 4.768 -3.313 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.086 4.208 -3.534 1.00 0.00 C ATOM 0 H PHE A 82 -2.712 8.135 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.139 9.296 -4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.117 7.392 -6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.377 7.426 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.150 6.266 -6.040 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.598 6.275 -3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.903 4.323 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.178 4.363 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.414 3.362 -2.948 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.276 9.882 -7.581 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.370 10.444 -8.903 1.00 0.00 C ATOM 1269 C LYS A 83 -1.719 10.128 -9.566 1.00 0.00 C ATOM 1270 O LYS A 83 -2.457 9.228 -9.163 1.00 0.00 O ATOM 1271 CB LYS A 83 0.764 9.794 -9.673 1.00 0.00 C ATOM 1272 CG LYS A 83 1.524 10.734 -10.624 1.00 0.00 C ATOM 1273 CD LYS A 83 2.578 11.539 -9.837 1.00 0.00 C ATOM 1274 CE LYS A 83 3.727 10.627 -9.367 1.00 0.00 C ATOM 1275 NZ LYS A 83 4.381 11.107 -8.132 1.00 0.00 N ATOM 0 H LYS A 83 0.611 9.404 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.301 11.532 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.472 9.372 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.361 8.963 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.009 10.155 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.825 11.413 -11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.975 12.337 -10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.110 12.014 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.339 9.622 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.471 10.553 -10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.110 10.426 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.822 12.032 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.671 11.201 -7.377 1.00 0.00 H new