USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 435 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 51 THR OG1 : rot 178:sc= 2.28 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 170:sc= 1.29 (180deg=0) USER MOD Set 2.1: A 45 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.2: A 66 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= 0.716 K(o=0.72,f=-4.6!) USER MOD Set 3.2: A 53 HIS : no HD1:sc= 0 X(o=0.72,f=0.72) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0 X(o=-0.34,f=-0.37) USER MOD Set 4.2: A 30 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.37) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.0047 K(o=0.0047,f=-2.6!) USER MOD Single : A 12 ASN : amide:sc= 1.08 K(o=1.1,f=-2.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 133:sc= 1.1 (180deg=0.202) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 72:sc= -0.257 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 162:sc= 0.811 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.995) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -8.882 -9.912 -1.767 1.00 10.00 N ATOM 14 CA ASP A 2 -8.096 -10.475 -0.664 1.00 10.00 C ATOM 15 C ASP A 2 -6.597 -10.117 -0.793 1.00 10.00 C ATOM 16 O ASP A 2 -6.072 -9.338 0.001 1.00 10.00 O ATOM 17 CB ASP A 2 -8.381 -11.984 -0.628 1.00 10.00 C ATOM 18 CG ASP A 2 -7.865 -12.620 0.649 1.00 10.00 C ATOM 19 OD1 ASP A 2 -6.635 -12.793 0.734 1.00 10.00 O ATOM 20 OD2 ASP A 2 -8.706 -12.893 1.535 1.00 10.00 O ATOM 0 HA ASP A 2 -8.388 -10.042 0.293 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.454 -12.154 -0.712 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.914 -12.464 -1.488 1.00 10.00 H new ATOM 25 N VAL A 3 -5.920 -10.599 -1.838 1.00 10.00 N ATOM 26 CA VAL A 3 -4.610 -10.094 -2.255 1.00 10.00 C ATOM 27 C VAL A 3 -4.744 -9.477 -3.650 1.00 10.00 C ATOM 28 O VAL A 3 -4.971 -10.194 -4.623 1.00 10.00 O ATOM 29 CB VAL A 3 -3.546 -11.208 -2.213 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.179 -10.665 -2.654 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.401 -11.770 -0.793 1.00 10.00 C ATOM 0 H VAL A 3 -6.269 -11.358 -2.424 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.272 -9.324 -1.561 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.873 -11.996 -2.891 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.441 -11.466 -2.618 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.251 -10.283 -3.672 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.874 -9.860 -1.985 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.645 -12.555 -0.788 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.100 -10.972 -0.115 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.355 -12.183 -0.466 1.00 10.00 H new ATOM 41 N VAL A 4 -4.636 -8.149 -3.756 1.00 10.00 N ATOM 42 CA VAL A 4 -4.611 -7.456 -5.044 1.00 10.00 C ATOM 43 C VAL A 4 -3.154 -7.326 -5.527 1.00 10.00 C ATOM 44 O VAL A 4 -2.249 -7.131 -4.719 1.00 10.00 O ATOM 45 CB VAL A 4 -5.308 -6.084 -4.920 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.403 -5.405 -6.290 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.724 -6.170 -4.335 1.00 10.00 C ATOM 0 H VAL A 4 -4.564 -7.526 -2.951 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.161 -8.031 -5.789 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.691 -5.504 -4.234 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.897 -4.439 -6.184 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.401 -5.258 -6.693 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.979 -6.034 -6.969 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.155 -5.170 -4.276 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.345 -6.795 -4.976 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.679 -6.605 -3.337 1.00 10.00 H new ATOM 57 N THR A 5 -2.911 -7.417 -6.837 1.00 10.00 N ATOM 58 CA THR A 5 -1.574 -7.291 -7.429 1.00 10.00 C ATOM 59 C THR A 5 -1.586 -6.271 -8.570 1.00 10.00 C ATOM 60 O THR A 5 -2.367 -6.392 -9.510 1.00 10.00 O ATOM 61 CB THR A 5 -1.056 -8.674 -7.864 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.388 -9.264 -6.775 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.038 -8.633 -9.001 1.00 10.00 C ATOM 0 H THR A 5 -3.645 -7.582 -7.526 1.00 10.00 H new ATOM 0 HA THR A 5 -0.877 -6.911 -6.682 1.00 10.00 H new ATOM 0 HB THR A 5 -1.933 -9.225 -8.204 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.053 -10.147 -7.036 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.275 -9.648 -9.246 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.491 -8.172 -9.878 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.830 -8.050 -8.692 1.00 10.00 H new ATOM 71 N TYR A 6 -0.721 -5.257 -8.462 1.00 10.00 N ATOM 72 CA TYR A 6 -0.560 -4.194 -9.446 1.00 10.00 C ATOM 73 C TYR A 6 0.668 -4.482 -10.302 1.00 10.00 C ATOM 74 O TYR A 6 1.786 -4.459 -9.789 1.00 10.00 O ATOM 75 CB TYR A 6 -0.400 -2.846 -8.737 1.00 10.00 C ATOM 76 CG TYR A 6 -1.721 -2.205 -8.340 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.608 -2.906 -7.503 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.069 -0.915 -8.788 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.792 -2.297 -7.061 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.266 -0.311 -8.348 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.122 -0.998 -7.471 1.00 10.00 C ATOM 82 OH TYR A 6 -5.266 -0.439 -6.978 1.00 10.00 O ATOM 0 H TYR A 6 -0.097 -5.155 -7.661 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.443 -4.152 -10.083 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.209 -2.985 -7.844 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.143 -2.164 -9.391 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.377 -3.916 -7.200 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.418 -0.387 -9.470 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.455 -2.834 -6.399 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.525 0.682 -8.686 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.373 0.464 -7.343 1.00 10.00 H new ATOM 92 N GLU A 7 0.448 -4.786 -11.578 1.00 10.00 N ATOM 93 CA GLU A 7 1.473 -5.251 -12.501 1.00 10.00 C ATOM 94 C GLU A 7 2.042 -4.126 -13.374 1.00 10.00 C ATOM 95 O GLU A 7 1.369 -3.606 -14.261 1.00 10.00 O ATOM 96 CB GLU A 7 0.914 -6.451 -13.268 1.00 10.00 C ATOM 97 CG GLU A 7 0.362 -7.440 -12.232 1.00 10.00 C ATOM 98 CD GLU A 7 0.465 -8.891 -12.661 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.335 -9.298 -13.529 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.359 -9.555 -12.088 1.00 10.00 O ATOM 0 H GLU A 7 -0.474 -4.713 -12.008 1.00 10.00 H new ATOM 0 HA GLU A 7 2.352 -5.589 -11.952 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.128 -6.136 -13.955 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.693 -6.920 -13.869 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.901 -7.308 -11.294 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.683 -7.201 -12.036 1.00 10.00 H new ATOM 107 N ASN A 8 3.290 -3.743 -13.076 1.00 10.00 N ATOM 108 CA ASN A 8 3.930 -2.513 -13.536 1.00 10.00 C ATOM 109 C ASN A 8 5.332 -2.834 -14.064 1.00 10.00 C ATOM 110 O ASN A 8 5.982 -3.762 -13.578 1.00 10.00 O ATOM 111 CB ASN A 8 4.003 -1.495 -12.377 1.00 10.00 C ATOM 112 CG ASN A 8 3.101 -1.874 -11.210 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.893 -1.694 -11.253 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.651 -2.500 -10.182 1.00 10.00 N ATOM 0 H ASN A 8 3.902 -4.306 -12.485 1.00 10.00 H new ATOM 0 HA ASN A 8 3.343 -2.074 -14.343 1.00 10.00 H new ATOM 0 HB2 ASN A 8 5.033 -1.421 -12.027 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.720 -0.509 -12.745 1.00 10.00 H new ATOM 0 HD21 ASN A 8 3.066 -2.837 -9.417 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.660 -2.646 -10.154 1.00 10.00 H new ATOM 121 N ALA A 9 5.829 -2.043 -15.014 1.00 10.00 N ATOM 122 CA ALA A 9 7.133 -2.249 -15.644 1.00 10.00 C ATOM 123 C ALA A 9 8.291 -2.248 -14.632 1.00 10.00 C ATOM 124 O ALA A 9 9.335 -2.849 -14.869 1.00 10.00 O ATOM 125 CB ALA A 9 7.335 -1.175 -16.715 1.00 10.00 C ATOM 0 H ALA A 9 5.330 -1.229 -15.373 1.00 10.00 H new ATOM 0 HA ALA A 9 7.141 -3.239 -16.100 1.00 10.00 H new ATOM 0 HB1 ALA A 9 8.304 -1.316 -17.194 1.00 10.00 H new ATOM 0 HB2 ALA A 9 6.546 -1.254 -17.463 1.00 10.00 H new ATOM 0 HB3 ALA A 9 7.299 -0.189 -16.252 1.00 10.00 H new ATOM 131 N ALA A 10 8.094 -1.593 -13.484 1.00 10.00 N ATOM 132 CA ALA A 10 9.062 -1.545 -12.391 1.00 10.00 C ATOM 133 C ALA A 10 9.138 -2.840 -11.561 1.00 10.00 C ATOM 134 O ALA A 10 10.005 -2.943 -10.695 1.00 10.00 O ATOM 135 CB ALA A 10 8.701 -0.360 -11.493 1.00 10.00 C ATOM 0 H ALA A 10 7.239 -1.072 -13.287 1.00 10.00 H new ATOM 0 HA ALA A 10 10.052 -1.429 -12.831 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.409 -0.301 -10.667 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.742 0.562 -12.073 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.694 -0.496 -11.099 1.00 10.00 H new ATOM 141 N GLY A 11 8.217 -3.790 -11.771 1.00 10.00 N ATOM 142 CA GLY A 11 8.002 -4.942 -10.894 1.00 10.00 C ATOM 143 C GLY A 11 6.599 -4.859 -10.292 1.00 10.00 C ATOM 144 O GLY A 11 6.161 -3.766 -9.915 1.00 10.00 O ATOM 0 H GLY A 11 7.588 -3.776 -12.574 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.115 -5.869 -11.456 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.751 -4.956 -10.102 1.00 10.00 H new ATOM 148 N ASN A 12 5.877 -5.982 -10.191 1.00 10.00 N ATOM 149 CA ASN A 12 4.601 -5.979 -9.477 1.00 10.00 C ATOM 150 C ASN A 12 4.818 -5.917 -7.958 1.00 10.00 C ATOM 151 O ASN A 12 5.941 -6.109 -7.486 1.00 10.00 O ATOM 152 CB ASN A 12 3.620 -7.050 -9.984 1.00 10.00 C ATOM 153 CG ASN A 12 3.941 -8.488 -9.594 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.826 -8.744 -8.791 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.239 -9.460 -10.163 1.00 10.00 N ATOM 0 H ASN A 12 6.148 -6.883 -10.585 1.00 10.00 H new ATOM 0 HA ASN A 12 4.073 -5.056 -9.717 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.624 -6.807 -9.613 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.578 -6.990 -11.072 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.436 -10.434 -9.932 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.503 -9.233 -10.832 1.00 10.00 H new ATOM 162 N VAL A 13 3.774 -5.511 -7.225 1.00 10.00 N ATOM 163 CA VAL A 13 3.951 -4.857 -5.920 1.00 10.00 C ATOM 164 C VAL A 13 3.184 -5.449 -4.718 1.00 10.00 C ATOM 165 O VAL A 13 3.559 -5.187 -3.578 1.00 10.00 O ATOM 166 CB VAL A 13 3.805 -3.334 -6.092 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.499 -2.966 -6.775 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.846 -2.582 -4.766 1.00 10.00 C ATOM 0 H VAL A 13 2.801 -5.623 -7.511 1.00 10.00 H new ATOM 0 HA VAL A 13 4.969 -5.087 -5.605 1.00 10.00 H new ATOM 0 HB VAL A 13 4.657 -3.041 -6.706 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.435 -1.883 -6.877 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.462 -3.427 -7.762 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.662 -3.324 -6.176 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.738 -1.513 -4.950 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.031 -2.924 -4.128 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.798 -2.771 -4.270 1.00 10.00 H new ATOM 178 N THR A 14 2.127 -6.241 -4.931 1.00 10.00 N ATOM 179 CA THR A 14 1.365 -6.893 -3.855 1.00 10.00 C ATOM 180 C THR A 14 0.688 -5.900 -2.895 1.00 10.00 C ATOM 181 O THR A 14 1.248 -5.435 -1.905 1.00 10.00 O ATOM 182 CB THR A 14 2.202 -7.970 -3.143 1.00 10.00 C ATOM 183 OG1 THR A 14 2.346 -9.060 -4.027 1.00 10.00 O ATOM 184 CG2 THR A 14 1.532 -8.532 -1.886 1.00 10.00 C ATOM 0 H THR A 14 1.771 -6.451 -5.864 1.00 10.00 H new ATOM 0 HA THR A 14 0.533 -7.413 -4.330 1.00 10.00 H new ATOM 0 HB THR A 14 3.143 -7.500 -2.856 1.00 10.00 H new ATOM 0 HG1 THR A 14 2.878 -9.762 -3.597 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.178 -9.286 -1.436 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.363 -7.726 -1.172 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.578 -8.985 -2.154 1.00 10.00 H new ATOM 192 N PHE A 15 -0.574 -5.606 -3.202 1.00 10.00 N ATOM 193 CA PHE A 15 -1.517 -4.901 -2.344 1.00 10.00 C ATOM 194 C PHE A 15 -2.332 -5.927 -1.546 1.00 10.00 C ATOM 195 O PHE A 15 -3.424 -6.322 -1.966 1.00 10.00 O ATOM 196 CB PHE A 15 -2.478 -4.087 -3.217 1.00 10.00 C ATOM 197 CG PHE A 15 -2.006 -2.751 -3.732 1.00 10.00 C ATOM 198 CD1 PHE A 15 -0.830 -2.664 -4.499 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.924 -1.685 -3.738 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.601 -1.538 -5.305 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.712 -0.580 -4.572 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.560 -0.518 -5.373 1.00 10.00 C ATOM 0 H PHE A 15 -0.984 -5.866 -4.099 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.975 -4.242 -1.666 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.749 -4.700 -4.077 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.390 -3.921 -2.644 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.104 -3.463 -4.468 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.794 -1.719 -3.098 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.314 -1.457 -5.873 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.433 0.223 -4.599 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.413 0.317 -6.042 1.00 10.00 H new ATOM 212 N ASP A 16 -1.848 -6.336 -0.375 1.00 10.00 N ATOM 213 CA ASP A 16 -2.650 -7.195 0.477 1.00 10.00 C ATOM 214 C ASP A 16 -3.867 -6.414 0.992 1.00 10.00 C ATOM 215 O ASP A 16 -3.726 -5.454 1.748 1.00 10.00 O ATOM 216 CB ASP A 16 -1.829 -7.724 1.648 1.00 10.00 C ATOM 217 CG ASP A 16 -0.458 -8.225 1.260 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.401 -9.184 0.466 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.494 -7.623 1.801 1.00 10.00 O ATOM 0 H ASP A 16 -0.929 -6.092 -0.006 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.988 -8.050 -0.109 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.719 -6.932 2.389 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.379 -8.534 2.127 1.00 10.00 H new ATOM 224 N HIS A 17 -5.071 -6.839 0.616 1.00 10.00 N ATOM 225 CA HIS A 17 -6.271 -6.405 1.311 1.00 10.00 C ATOM 226 C HIS A 17 -6.387 -7.136 2.646 1.00 10.00 C ATOM 227 O HIS A 17 -6.694 -6.535 3.672 1.00 10.00 O ATOM 228 CB HIS A 17 -7.493 -6.612 0.405 1.00 10.00 C ATOM 229 CG HIS A 17 -7.973 -5.290 -0.099 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.189 -4.481 -0.883 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.769 -4.477 0.659 1.00 10.00 C ATOM 232 CE1 HIS A 17 -7.478 -3.212 -0.565 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.430 -3.153 0.385 1.00 10.00 N ATOM 0 H HIS A 17 -5.237 -7.479 -0.161 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.217 -5.340 1.537 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.232 -7.259 -0.433 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.288 -7.112 0.958 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -6.511 -4.789 -1.580 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -9.530 -4.805 1.352 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -7.008 -2.349 -1.013 1.00 10.00 H new ATOM 241 N LYS A 18 -6.098 -8.436 2.623 1.00 10.00 N ATOM 242 CA LYS A 18 -6.183 -9.327 3.759 1.00 10.00 C ATOM 243 C LYS A 18 -4.932 -9.241 4.644 1.00 10.00 C ATOM 244 O LYS A 18 -5.004 -8.732 5.754 1.00 10.00 O ATOM 245 CB LYS A 18 -6.448 -10.736 3.218 1.00 10.00 C ATOM 246 CG LYS A 18 -7.040 -11.690 4.256 1.00 10.00 C ATOM 247 CD LYS A 18 -8.423 -11.201 4.722 1.00 10.00 C ATOM 248 CE LYS A 18 -9.335 -12.384 5.049 1.00 10.00 C ATOM 249 NZ LYS A 18 -9.844 -13.006 3.807 1.00 10.00 N ATOM 0 H LYS A 18 -5.787 -8.908 1.774 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.003 -9.038 4.416 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.129 -10.668 2.370 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.513 -11.154 2.844 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.127 -12.689 3.830 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -6.369 -11.766 5.111 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.312 -10.567 5.602 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.879 -10.589 3.944 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.787 -13.122 5.634 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -10.171 -12.048 5.663 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.737 -14.039 3.867 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.849 -12.769 3.687 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.304 -12.649 2.993 1.00 10.00 H new ATOM 263 N ALA A 19 -3.774 -9.718 4.174 1.00 10.00 N ATOM 264 CA ALA A 19 -2.595 -9.946 5.019 1.00 10.00 C ATOM 265 C ALA A 19 -2.132 -8.692 5.770 1.00 10.00 C ATOM 266 O ALA A 19 -1.829 -8.755 6.961 1.00 10.00 O ATOM 267 CB ALA A 19 -1.454 -10.526 4.182 1.00 10.00 C ATOM 0 H ALA A 19 -3.627 -9.958 3.194 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.891 -10.664 5.784 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.584 -10.692 4.818 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.769 -11.473 3.744 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.194 -9.827 3.387 1.00 10.00 H new ATOM 273 N HIS A 20 -2.112 -7.537 5.094 1.00 10.00 N ATOM 274 CA HIS A 20 -1.907 -6.269 5.780 1.00 10.00 C ATOM 275 C HIS A 20 -2.993 -6.070 6.862 1.00 10.00 C ATOM 276 O HIS A 20 -2.665 -5.866 8.028 1.00 10.00 O ATOM 277 CB HIS A 20 -1.844 -5.088 4.790 1.00 10.00 C ATOM 278 CG HIS A 20 -0.478 -4.730 4.223 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.276 -5.492 3.359 1.00 10.00 N ATOM 280 CD2 HIS A 20 0.174 -3.523 4.352 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.339 -4.764 2.996 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.346 -3.550 3.579 1.00 10.00 N ATOM 0 H HIS A 20 -2.234 -7.460 4.084 1.00 10.00 H new ATOM 0 HA HIS A 20 -0.938 -6.298 6.279 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.509 -5.311 3.955 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.244 -4.206 5.290 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.063 -6.441 3.051 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.162 -2.690 4.951 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.102 -5.110 2.315 1.00 10.00 H new ATOM 290 N ALA A 21 -4.284 -6.168 6.515 1.00 10.00 N ATOM 291 CA ALA A 21 -5.395 -6.017 7.463 1.00 10.00 C ATOM 292 C ALA A 21 -5.326 -6.946 8.677 1.00 10.00 C ATOM 293 O ALA A 21 -5.633 -6.512 9.784 1.00 10.00 O ATOM 294 CB ALA A 21 -6.735 -6.226 6.772 1.00 10.00 C ATOM 0 H ALA A 21 -4.588 -6.356 5.560 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.300 -4.996 7.832 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.540 -6.109 7.497 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -6.853 -5.490 5.976 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.773 -7.229 6.347 1.00 10.00 H new ATOM 300 N GLU A 22 -4.898 -8.199 8.498 1.00 10.00 N ATOM 301 CA GLU A 22 -4.673 -9.117 9.612 1.00 10.00 C ATOM 302 C GLU A 22 -3.811 -8.470 10.721 1.00 10.00 C ATOM 303 O GLU A 22 -3.971 -8.788 11.898 1.00 10.00 O ATOM 304 CB GLU A 22 -4.051 -10.428 9.103 1.00 10.00 C ATOM 305 CG GLU A 22 -4.890 -11.215 8.074 1.00 10.00 C ATOM 306 CD GLU A 22 -6.305 -11.573 8.515 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.476 -11.879 9.714 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.185 -11.572 7.626 1.00 10.00 O ATOM 0 H GLU A 22 -4.700 -8.601 7.582 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.638 -9.349 10.062 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.084 -10.199 8.656 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.861 -11.075 9.960 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.952 -10.629 7.157 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.361 -12.136 7.828 1.00 10.00 H new ATOM 315 N LYS A 23 -2.917 -7.537 10.355 1.00 10.00 N ATOM 316 CA LYS A 23 -2.153 -6.702 11.272 1.00 10.00 C ATOM 317 C LYS A 23 -2.753 -5.287 11.451 1.00 10.00 C ATOM 318 O LYS A 23 -2.612 -4.694 12.518 1.00 10.00 O ATOM 319 CB LYS A 23 -0.711 -6.642 10.749 1.00 10.00 C ATOM 320 CG LYS A 23 -0.092 -8.047 10.644 1.00 10.00 C ATOM 321 CD LYS A 23 1.411 -8.034 10.314 1.00 10.00 C ATOM 322 CE LYS A 23 2.259 -7.524 11.490 1.00 10.00 C ATOM 323 NZ LYS A 23 3.702 -7.789 11.289 1.00 10.00 N ATOM 0 H LYS A 23 -2.705 -7.343 9.376 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.185 -7.145 12.267 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.697 -6.163 9.770 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.107 -6.025 11.414 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.244 -8.573 11.586 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.620 -8.611 9.875 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.731 -9.041 10.047 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.584 -7.403 9.442 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.101 -6.453 11.613 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.927 -8.003 12.411 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.238 -7.429 12.105 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.857 -8.813 11.197 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.026 -7.311 10.424 1.00 10.00 H new ATOM 337 N LEU A 24 -3.383 -4.727 10.408 1.00 10.00 N ATOM 338 CA LEU A 24 -3.768 -3.315 10.294 1.00 10.00 C ATOM 339 C LEU A 24 -5.288 -3.032 10.312 1.00 10.00 C ATOM 340 O LEU A 24 -5.714 -1.920 9.995 1.00 10.00 O ATOM 341 CB LEU A 24 -3.153 -2.749 9.005 1.00 10.00 C ATOM 342 CG LEU A 24 -1.623 -2.827 8.908 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.203 -2.140 7.606 1.00 10.00 C ATOM 344 CD2 LEU A 24 -0.929 -2.126 10.081 1.00 10.00 C ATOM 0 H LEU A 24 -3.649 -5.270 9.586 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.385 -2.825 11.189 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.580 -3.282 8.156 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.452 -1.705 8.909 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.328 -3.876 8.932 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.118 -2.179 7.508 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.663 -2.651 6.760 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.529 -1.100 7.622 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.152 -2.209 9.967 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.213 -1.074 10.095 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.232 -2.596 11.017 1.00 10.00 H new ATOM 356 N GLY A 25 -6.140 -3.999 10.654 1.00 10.00 N ATOM 357 CA GLY A 25 -7.544 -3.752 11.002 1.00 10.00 C ATOM 358 C GLY A 25 -8.528 -3.559 9.840 1.00 10.00 C ATOM 359 O GLY A 25 -9.636 -4.076 9.918 1.00 10.00 O ATOM 0 H GLY A 25 -5.876 -4.983 10.698 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.895 -4.588 11.607 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.585 -2.863 11.632 1.00 10.00 H new ATOM 363 N CYS A 26 -8.108 -2.800 8.815 1.00 10.00 N ATOM 364 CA CYS A 26 -8.832 -2.077 7.752 1.00 10.00 C ATOM 365 C CYS A 26 -8.639 -0.573 8.002 1.00 10.00 C ATOM 366 O CYS A 26 -8.232 0.176 7.112 1.00 10.00 O ATOM 367 CB CYS A 26 -10.320 -2.350 7.644 1.00 10.00 C ATOM 368 SG CYS A 26 -10.881 -4.050 7.278 1.00 10.00 S ATOM 0 H CYS A 26 -7.105 -2.659 8.695 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.410 -2.434 6.813 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.780 -2.046 8.584 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.720 -1.697 6.868 1.00 10.00 H new ATOM 0 HG CYS A 26 -10.699 -4.801 8.323 1.00 10.00 H new ATOM 373 N ASP A 27 -8.919 -0.157 9.241 1.00 10.00 N ATOM 374 CA ASP A 27 -8.975 1.207 9.753 1.00 10.00 C ATOM 375 C ASP A 27 -7.769 2.024 9.285 1.00 10.00 C ATOM 376 O ASP A 27 -7.903 3.119 8.742 1.00 10.00 O ATOM 377 CB ASP A 27 -9.028 1.131 11.290 1.00 10.00 C ATOM 378 CG ASP A 27 -10.040 0.120 11.808 1.00 10.00 C ATOM 379 OD1 ASP A 27 -9.781 -1.081 11.564 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.033 0.560 12.421 1.00 10.00 O ATOM 0 H ASP A 27 -9.131 -0.833 9.975 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.862 1.712 9.371 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.039 0.871 11.668 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.273 2.116 11.687 1.00 10.00 H new ATOM 385 N ALA A 28 -6.587 1.424 9.444 1.00 10.00 N ATOM 386 CA ALA A 28 -5.288 1.929 9.015 1.00 10.00 C ATOM 387 C ALA A 28 -5.259 2.553 7.608 1.00 10.00 C ATOM 388 O ALA A 28 -4.446 3.437 7.349 1.00 10.00 O ATOM 389 CB ALA A 28 -4.328 0.747 9.066 1.00 10.00 C ATOM 0 H ALA A 28 -6.511 0.517 9.904 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.013 2.745 9.683 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.335 1.071 8.753 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.279 0.361 10.084 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -4.681 -0.038 8.397 1.00 10.00 H new ATOM 395 N CYS A 29 -6.109 2.068 6.697 1.00 10.00 N ATOM 396 CA CYS A 29 -6.195 2.522 5.306 1.00 10.00 C ATOM 397 C CYS A 29 -7.549 3.175 4.998 1.00 10.00 C ATOM 398 O CYS A 29 -7.792 3.620 3.878 1.00 10.00 O ATOM 399 CB CYS A 29 -5.984 1.316 4.425 1.00 10.00 C ATOM 400 SG CYS A 29 -4.354 1.356 3.609 1.00 10.00 S ATOM 0 H CYS A 29 -6.775 1.327 6.914 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.435 3.282 5.124 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.070 0.409 5.023 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.769 1.275 3.669 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.216 0.300 2.864 1.00 10.00 H new ATOM 405 N HIS A 30 -8.463 3.192 5.968 1.00 10.00 N ATOM 406 CA HIS A 30 -9.871 3.424 5.723 1.00 10.00 C ATOM 407 C HIS A 30 -10.546 4.055 6.941 1.00 10.00 C ATOM 408 O HIS A 30 -11.155 3.365 7.759 1.00 10.00 O ATOM 409 CB HIS A 30 -10.509 2.083 5.361 1.00 10.00 C ATOM 410 CG HIS A 30 -10.116 1.505 4.031 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.211 2.130 2.818 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.724 0.220 3.791 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.885 1.235 1.863 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.572 0.048 2.404 1.00 10.00 N ATOM 0 H HIS A 30 -8.237 3.043 6.951 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.999 4.128 4.901 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.256 1.361 6.138 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.592 2.202 5.377 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.558 -0.539 4.542 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.877 1.446 0.804 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.285 -0.799 1.913 1.00 10.00 H new ATOM 422 N GLU A 31 -10.478 5.381 7.023 1.00 10.00 N ATOM 423 CA GLU A 31 -10.919 6.146 8.172 1.00 10.00 C ATOM 424 C GLU A 31 -12.450 6.316 8.267 1.00 10.00 C ATOM 425 O GLU A 31 -12.989 7.419 8.291 1.00 10.00 O ATOM 426 CB GLU A 31 -10.109 7.443 8.183 1.00 10.00 C ATOM 427 CG GLU A 31 -10.334 8.368 6.970 1.00 10.00 C ATOM 428 CD GLU A 31 -9.333 9.516 6.935 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.400 10.358 7.855 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.518 9.520 5.988 1.00 10.00 O ATOM 0 H GLU A 31 -10.105 5.961 6.272 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.718 5.599 9.093 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -10.351 7.996 9.091 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.050 7.191 8.236 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -10.252 7.787 6.051 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -11.346 8.770 7.004 1.00 10.00 H new ATOM 437 N GLY A 32 -13.153 5.183 8.350 1.00 10.00 N ATOM 438 CA GLY A 32 -14.609 5.107 8.274 1.00 10.00 C ATOM 439 C GLY A 32 -15.081 4.941 6.824 1.00 10.00 C ATOM 440 O GLY A 32 -14.583 5.613 5.927 1.00 10.00 O ATOM 0 H GLY A 32 -12.711 4.272 8.475 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.964 4.268 8.873 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.046 6.010 8.700 1.00 10.00 H new ATOM 444 N THR A 33 -16.029 4.025 6.587 1.00 10.00 N ATOM 445 CA THR A 33 -16.606 3.750 5.265 1.00 10.00 C ATOM 446 C THR A 33 -15.536 3.406 4.214 1.00 10.00 C ATOM 447 O THR A 33 -15.155 4.259 3.412 1.00 10.00 O ATOM 448 CB THR A 33 -17.514 4.903 4.814 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.492 5.094 5.813 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.264 4.573 3.518 1.00 10.00 C ATOM 0 H THR A 33 -16.424 3.442 7.325 1.00 10.00 H new ATOM 0 HA THR A 33 -17.226 2.858 5.360 1.00 10.00 H new ATOM 0 HB THR A 33 -16.890 5.781 4.649 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.087 5.828 5.552 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.894 5.417 3.237 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.546 4.375 2.722 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.886 3.691 3.672 1.00 10.00 H new ATOM 458 N PRO A 34 -15.041 2.158 4.186 1.00 10.00 N ATOM 459 CA PRO A 34 -13.996 1.764 3.257 1.00 10.00 C ATOM 460 C PRO A 34 -14.488 1.839 1.808 1.00 10.00 C ATOM 461 O PRO A 34 -15.605 1.431 1.495 1.00 10.00 O ATOM 462 CB PRO A 34 -13.629 0.335 3.653 1.00 10.00 C ATOM 463 CG PRO A 34 -14.936 -0.201 4.233 1.00 10.00 C ATOM 464 CD PRO A 34 -15.483 1.015 4.969 1.00 10.00 C ATOM 0 HA PRO A 34 -13.133 2.428 3.308 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.297 -0.250 2.795 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.822 0.313 4.385 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.616 -0.546 3.454 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.768 -1.043 4.905 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.570 0.979 5.037 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.102 1.064 5.989 1.00 10.00 H new ATOM 472 N ALA A 35 -13.641 2.364 0.924 1.00 10.00 N ATOM 473 CA ALA A 35 -13.948 2.603 -0.479 1.00 10.00 C ATOM 474 C ALA A 35 -12.642 2.658 -1.278 1.00 10.00 C ATOM 475 O ALA A 35 -11.559 2.542 -0.701 1.00 10.00 O ATOM 476 CB ALA A 35 -14.741 3.910 -0.597 1.00 10.00 C ATOM 0 H ALA A 35 -12.693 2.642 1.176 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.557 1.796 -0.886 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.977 4.099 -1.644 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.666 3.827 -0.026 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.145 4.734 -0.205 1.00 10.00 H new ATOM 482 N LYS A 36 -12.727 2.830 -2.601 1.00 10.00 N ATOM 483 CA LYS A 36 -11.524 2.941 -3.417 1.00 10.00 C ATOM 484 C LYS A 36 -10.775 4.262 -3.171 1.00 10.00 C ATOM 485 O LYS A 36 -11.397 5.305 -2.982 1.00 10.00 O ATOM 486 CB LYS A 36 -11.821 2.671 -4.896 1.00 10.00 C ATOM 487 CG LYS A 36 -12.615 3.777 -5.610 1.00 10.00 C ATOM 488 CD LYS A 36 -12.660 3.509 -7.123 1.00 10.00 C ATOM 489 CE LYS A 36 -11.330 3.890 -7.799 1.00 10.00 C ATOM 490 NZ LYS A 36 -11.310 3.495 -9.223 1.00 10.00 N ATOM 0 H LYS A 36 -13.603 2.894 -3.119 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.836 2.157 -3.100 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -10.877 2.526 -5.420 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.376 1.736 -4.975 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.629 3.822 -5.211 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.154 4.746 -5.419 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.872 2.455 -7.301 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.474 4.078 -7.571 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -11.175 4.966 -7.717 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.504 3.408 -7.276 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -10.400 3.767 -9.646 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.433 2.465 -9.299 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -12.083 3.974 -9.727 1.00 10.00 H new ATOM 504 N ILE A 37 -9.440 4.200 -3.165 1.00 10.00 N ATOM 505 CA ILE A 37 -8.535 5.308 -2.826 1.00 10.00 C ATOM 506 C ILE A 37 -7.807 5.878 -4.054 1.00 10.00 C ATOM 507 O ILE A 37 -7.337 7.011 -4.051 1.00 10.00 O ATOM 508 CB ILE A 37 -7.563 4.903 -1.685 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.274 4.107 -0.567 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.875 6.141 -1.084 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.371 3.776 0.634 1.00 10.00 C ATOM 0 H ILE A 37 -8.939 3.345 -3.405 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.150 6.126 -2.452 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.810 4.254 -2.132 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.133 4.680 -0.216 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -8.660 3.178 -0.986 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.199 5.831 -0.287 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.308 6.655 -1.860 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.629 6.815 -0.678 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -7.942 3.217 1.375 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -6.525 3.175 0.299 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.005 4.701 1.080 1.00 10.00 H new ATOM 523 N ALA A 38 -7.759 5.080 -5.114 1.00 10.00 N ATOM 524 CA ALA A 38 -7.085 5.301 -6.381 1.00 10.00 C ATOM 525 C ALA A 38 -5.568 5.435 -6.269 1.00 10.00 C ATOM 526 O ALA A 38 -5.005 6.513 -6.059 1.00 10.00 O ATOM 527 CB ALA A 38 -7.730 6.427 -7.152 1.00 10.00 C ATOM 0 H ALA A 38 -8.237 4.179 -5.104 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.221 4.389 -6.963 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.204 6.570 -8.096 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.773 6.181 -7.351 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.679 7.345 -6.566 1.00 10.00 H new ATOM 533 N ILE A 39 -4.920 4.289 -6.441 1.00 10.00 N ATOM 534 CA ILE A 39 -3.487 4.109 -6.270 1.00 10.00 C ATOM 535 C ILE A 39 -2.758 3.954 -7.607 1.00 10.00 C ATOM 536 O ILE A 39 -3.068 3.072 -8.403 1.00 10.00 O ATOM 537 CB ILE A 39 -3.230 2.900 -5.366 1.00 10.00 C ATOM 538 CG1 ILE A 39 -3.978 3.010 -4.027 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.728 2.735 -5.115 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.569 4.193 -3.139 1.00 10.00 C ATOM 0 H ILE A 39 -5.397 3.430 -6.713 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.087 5.008 -5.800 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.611 2.020 -5.885 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.046 3.084 -4.232 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.824 2.087 -3.467 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.559 1.872 -4.471 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.215 2.585 -6.065 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.340 3.631 -4.630 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.156 4.178 -2.220 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.510 4.115 -2.894 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.751 5.127 -3.671 1.00 10.00 H new ATOM 552 N ASP A 40 -1.746 4.794 -7.818 1.00 10.00 N ATOM 553 CA ASP A 40 -0.877 4.800 -8.982 1.00 10.00 C ATOM 554 C ASP A 40 0.456 5.491 -8.644 1.00 10.00 C ATOM 555 O ASP A 40 0.667 5.994 -7.543 1.00 10.00 O ATOM 556 CB ASP A 40 -1.606 5.530 -10.123 1.00 10.00 C ATOM 557 CG ASP A 40 -1.906 6.992 -9.819 1.00 10.00 C ATOM 558 OD1 ASP A 40 -1.468 7.458 -8.742 1.00 10.00 O ATOM 559 OD2 ASP A 40 -2.507 7.647 -10.693 1.00 10.00 O ATOM 0 H ASP A 40 -1.502 5.522 -7.146 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.648 3.780 -9.292 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -0.998 5.473 -11.026 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.542 5.012 -10.335 1.00 10.00 H new ATOM 564 N LYS A 41 1.322 5.599 -9.641 1.00 10.00 N ATOM 565 CA LYS A 41 2.514 6.438 -9.680 1.00 10.00 C ATOM 566 C LYS A 41 2.321 7.909 -9.233 1.00 10.00 C ATOM 567 O LYS A 41 3.320 8.592 -9.012 1.00 10.00 O ATOM 568 CB LYS A 41 3.119 6.316 -11.090 1.00 10.00 C ATOM 569 CG LYS A 41 2.158 6.773 -12.204 1.00 10.00 C ATOM 570 CD LYS A 41 2.542 6.240 -13.600 1.00 10.00 C ATOM 571 CE LYS A 41 1.690 5.037 -14.056 1.00 10.00 C ATOM 572 NZ LYS A 41 2.098 3.782 -13.396 1.00 10.00 N ATOM 0 H LYS A 41 1.204 5.067 -10.503 1.00 10.00 H new ATOM 0 HA LYS A 41 3.205 6.067 -8.923 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.031 6.910 -11.140 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.404 5.279 -11.268 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.148 6.441 -11.962 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.138 7.862 -12.232 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.439 7.045 -14.328 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.592 5.949 -13.593 1.00 10.00 H new ATOM 0 HE2 LYS A 41 0.640 5.235 -13.839 1.00 10.00 H new ATOM 0 HE3 LYS A 41 1.776 4.922 -15.136 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 1.498 3.002 -13.733 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.092 3.578 -13.623 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 1.991 3.881 -12.366 1.00 10.00 H new ATOM 586 N LYS A 42 1.087 8.411 -9.071 1.00 10.00 N ATOM 587 CA LYS A 42 0.795 9.726 -8.500 1.00 10.00 C ATOM 588 C LYS A 42 0.520 9.600 -6.990 1.00 10.00 C ATOM 589 O LYS A 42 1.208 10.217 -6.180 1.00 10.00 O ATOM 590 CB LYS A 42 -0.392 10.342 -9.258 1.00 10.00 C ATOM 591 CG LYS A 42 -0.638 11.821 -8.942 1.00 10.00 C ATOM 592 CD LYS A 42 -2.043 12.173 -9.454 1.00 10.00 C ATOM 593 CE LYS A 42 -2.340 13.669 -9.313 1.00 10.00 C ATOM 594 NZ LYS A 42 -3.742 13.966 -9.679 1.00 10.00 N ATOM 0 H LYS A 42 0.248 7.898 -9.341 1.00 10.00 H new ATOM 0 HA LYS A 42 1.653 10.389 -8.611 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.220 10.234 -10.329 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -1.293 9.776 -9.021 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.564 12.002 -7.870 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.114 12.446 -9.423 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -2.132 11.881 -10.500 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.786 11.601 -8.899 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -2.153 13.986 -8.287 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -1.665 14.240 -9.951 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -3.919 14.986 -9.576 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -3.910 13.684 -10.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -4.383 13.438 -9.053 1.00 10.00 H new ATOM 608 N SER A 43 -0.478 8.803 -6.595 1.00 10.00 N ATOM 609 CA SER A 43 -0.864 8.600 -5.193 1.00 10.00 C ATOM 610 C SER A 43 0.169 7.753 -4.431 1.00 10.00 C ATOM 611 O SER A 43 0.740 8.192 -3.427 1.00 10.00 O ATOM 612 CB SER A 43 -2.241 7.917 -5.142 1.00 10.00 C ATOM 613 OG SER A 43 -3.257 8.707 -5.729 1.00 10.00 O ATOM 0 H SER A 43 -1.051 8.271 -7.251 1.00 10.00 H new ATOM 0 HA SER A 43 -0.909 9.575 -4.708 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.187 6.958 -5.657 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.501 7.707 -4.105 1.00 10.00 H new ATOM 0 HG SER A 43 -4.031 8.143 -5.937 1.00 10.00 H new ATOM 619 N ALA A 44 0.396 6.529 -4.922 1.00 10.00 N ATOM 620 CA ALA A 44 1.187 5.461 -4.305 1.00 10.00 C ATOM 621 C ALA A 44 2.613 5.881 -3.980 1.00 10.00 C ATOM 622 O ALA A 44 3.259 5.313 -3.106 1.00 10.00 O ATOM 623 CB ALA A 44 1.284 4.275 -5.269 1.00 10.00 C ATOM 0 H ALA A 44 0.006 6.241 -5.819 1.00 10.00 H new ATOM 0 HA ALA A 44 0.676 5.205 -3.377 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.872 3.480 -4.810 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.283 3.904 -5.491 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.765 4.596 -6.193 1.00 10.00 H new ATOM 629 N HIS A 45 3.131 6.821 -4.768 1.00 10.00 N ATOM 630 CA HIS A 45 4.500 7.296 -4.700 1.00 10.00 C ATOM 631 C HIS A 45 4.639 8.645 -3.991 1.00 10.00 C ATOM 632 O HIS A 45 5.768 9.060 -3.723 1.00 10.00 O ATOM 633 CB HIS A 45 5.050 7.359 -6.126 1.00 10.00 C ATOM 634 CG HIS A 45 5.953 6.209 -6.465 1.00 10.00 C ATOM 635 ND1 HIS A 45 7.171 6.345 -7.079 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.704 4.870 -6.298 1.00 10.00 C ATOM 637 CE1 HIS A 45 7.644 5.111 -7.288 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.795 4.173 -6.829 1.00 10.00 N ATOM 0 H HIS A 45 2.586 7.285 -5.494 1.00 10.00 H new ATOM 0 HA HIS A 45 5.079 6.598 -4.095 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.217 7.377 -6.829 1.00 10.00 H new ATOM 0 HB3 HIS A 45 5.597 8.293 -6.256 1.00 10.00 H new ATOM 0 HD2 HIS A 45 4.828 4.434 -5.841 1.00 10.00 H new ATOM 0 HE1 HIS A 45 8.588 4.895 -7.765 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.921 3.161 -6.862 1.00 10.00 H new ATOM 646 N LYS A 46 3.532 9.308 -3.645 1.00 10.00 N ATOM 647 CA LYS A 46 3.565 10.569 -2.913 1.00 10.00 C ATOM 648 C LYS A 46 3.481 10.295 -1.412 1.00 10.00 C ATOM 649 O LYS A 46 4.433 10.540 -0.665 1.00 10.00 O ATOM 650 CB LYS A 46 2.411 11.459 -3.400 1.00 10.00 C ATOM 651 CG LYS A 46 2.516 12.893 -2.866 1.00 10.00 C ATOM 652 CD LYS A 46 1.321 13.715 -3.368 1.00 10.00 C ATOM 653 CE LYS A 46 1.506 15.194 -3.005 1.00 10.00 C ATOM 654 NZ LYS A 46 0.326 16.002 -3.383 1.00 10.00 N ATOM 0 H LYS A 46 2.591 8.983 -3.866 1.00 10.00 H new ATOM 0 HA LYS A 46 4.502 11.094 -3.098 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.406 11.479 -4.490 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.462 11.025 -3.085 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.534 12.886 -1.776 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.449 13.348 -3.197 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.224 13.607 -4.448 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.399 13.337 -2.926 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.682 15.286 -1.933 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.391 15.584 -3.508 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 0.488 16.996 -3.122 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.173 15.934 -4.409 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -0.513 15.645 -2.883 1.00 10.00 H new ATOM 668 N ASP A 47 2.322 9.779 -1.000 1.00 10.00 N ATOM 669 CA ASP A 47 1.942 9.653 0.400 1.00 10.00 C ATOM 670 C ASP A 47 1.217 8.332 0.707 1.00 10.00 C ATOM 671 O ASP A 47 1.604 7.626 1.641 1.00 10.00 O ATOM 672 CB ASP A 47 1.123 10.888 0.783 1.00 10.00 C ATOM 673 CG ASP A 47 0.967 10.949 2.288 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.915 11.464 2.922 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.050 10.420 2.773 1.00 10.00 O ATOM 0 H ASP A 47 1.612 9.432 -1.644 1.00 10.00 H new ATOM 0 HA ASP A 47 2.840 9.612 1.016 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.617 11.790 0.422 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.143 10.849 0.307 1.00 10.00 H new ATOM 680 N ALA A 48 0.211 7.959 -0.097 1.00 10.00 N ATOM 681 CA ALA A 48 -0.476 6.679 0.071 1.00 10.00 C ATOM 682 C ALA A 48 0.528 5.515 0.080 1.00 10.00 C ATOM 683 O ALA A 48 1.404 5.453 -0.780 1.00 10.00 O ATOM 684 CB ALA A 48 -1.520 6.498 -1.033 1.00 10.00 C ATOM 0 H ALA A 48 -0.141 8.527 -0.867 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.987 6.679 1.034 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.027 5.542 -0.901 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.249 7.306 -0.980 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.028 6.516 -2.006 1.00 10.00 H new ATOM 690 N CYS A 49 0.436 4.635 1.085 1.00 10.00 N ATOM 691 CA CYS A 49 1.363 3.521 1.342 1.00 10.00 C ATOM 692 C CYS A 49 2.734 4.004 1.818 1.00 10.00 C ATOM 693 O CYS A 49 3.136 3.714 2.948 1.00 10.00 O ATOM 694 CB CYS A 49 1.462 2.573 0.169 1.00 10.00 C ATOM 695 SG CYS A 49 -0.223 2.043 -0.270 1.00 10.00 S ATOM 0 H CYS A 49 -0.317 4.680 1.771 1.00 10.00 H new ATOM 0 HA CYS A 49 0.936 2.948 2.165 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.940 3.064 -0.679 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.078 1.711 0.427 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.172 1.226 -1.280 1.00 10.00 H new ATOM 700 N LYS A 50 3.423 4.777 0.969 1.00 10.00 N ATOM 701 CA LYS A 50 4.653 5.486 1.282 1.00 10.00 C ATOM 702 C LYS A 50 4.712 5.949 2.740 1.00 10.00 C ATOM 703 O LYS A 50 5.531 5.456 3.503 1.00 10.00 O ATOM 704 CB LYS A 50 4.761 6.696 0.349 1.00 10.00 C ATOM 705 CG LYS A 50 5.140 6.316 -1.084 1.00 10.00 C ATOM 706 CD LYS A 50 6.631 6.499 -1.400 1.00 10.00 C ATOM 707 CE LYS A 50 7.076 7.954 -1.168 1.00 10.00 C ATOM 708 NZ LYS A 50 7.894 8.478 -2.281 1.00 10.00 N ATOM 0 H LYS A 50 3.119 4.926 0.007 1.00 10.00 H new ATOM 0 HA LYS A 50 5.488 4.801 1.137 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.808 7.225 0.338 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.505 7.387 0.744 1.00 10.00 H new ATOM 0 HG2 LYS A 50 4.866 5.275 -1.258 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.554 6.920 -1.777 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.223 5.831 -0.774 1.00 10.00 H new ATOM 0 HD3 LYS A 50 6.823 6.218 -2.436 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.196 8.584 -1.040 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.648 8.013 -0.242 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.609 9.135 -1.907 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.368 7.689 -2.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.282 8.980 -2.955 1.00 10.00 H new ATOM 722 N THR A 51 3.879 6.910 3.135 1.00 10.00 N ATOM 723 CA THR A 51 4.029 7.598 4.420 1.00 10.00 C ATOM 724 C THR A 51 3.824 6.687 5.643 1.00 10.00 C ATOM 725 O THR A 51 4.462 6.900 6.674 1.00 10.00 O ATOM 726 CB THR A 51 3.204 8.891 4.432 1.00 10.00 C ATOM 727 OG1 THR A 51 3.841 9.811 3.562 1.00 10.00 O ATOM 728 CG2 THR A 51 3.134 9.559 5.806 1.00 10.00 C ATOM 0 H THR A 51 3.087 7.233 2.580 1.00 10.00 H new ATOM 0 HA THR A 51 5.073 7.893 4.520 1.00 10.00 H new ATOM 0 HB THR A 51 2.189 8.629 4.134 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.322 10.641 3.527 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.535 10.467 5.739 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.677 8.875 6.520 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.140 9.812 6.139 1.00 10.00 H new ATOM 736 N CYS A 52 3.014 5.626 5.527 1.00 10.00 N ATOM 737 CA CYS A 52 2.980 4.586 6.561 1.00 10.00 C ATOM 738 C CYS A 52 4.355 3.917 6.655 1.00 10.00 C ATOM 739 O CYS A 52 5.030 4.014 7.678 1.00 10.00 O ATOM 740 CB CYS A 52 1.881 3.590 6.286 1.00 10.00 C ATOM 741 SG CYS A 52 1.858 2.334 7.603 1.00 10.00 S ATOM 0 H CYS A 52 2.384 5.467 4.741 1.00 10.00 H new ATOM 0 HA CYS A 52 2.755 5.040 7.526 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.918 4.099 6.237 1.00 10.00 H new ATOM 0 HB3 CYS A 52 2.040 3.115 5.318 1.00 10.00 H new ATOM 0 HG CYS A 52 0.910 1.476 7.368 1.00 10.00 H new ATOM 746 N HIS A 53 4.802 3.323 5.545 1.00 10.00 N ATOM 747 CA HIS A 53 6.116 2.701 5.429 1.00 10.00 C ATOM 748 C HIS A 53 7.257 3.606 5.972 1.00 10.00 C ATOM 749 O HIS A 53 8.075 3.165 6.776 1.00 10.00 O ATOM 750 CB HIS A 53 6.297 2.303 3.954 1.00 10.00 C ATOM 751 CG HIS A 53 5.673 0.993 3.547 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.228 0.118 2.656 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.482 0.447 3.951 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.393 -0.928 2.529 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.303 -0.797 3.306 1.00 10.00 N ATOM 0 H HIS A 53 4.249 3.262 4.690 1.00 10.00 H new ATOM 0 HA HIS A 53 6.174 1.812 6.057 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.878 3.093 3.330 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.364 2.258 3.738 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.792 0.896 4.650 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.576 -1.772 1.881 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.524 -1.448 3.407 1.00 10.00 H new ATOM 763 N LYS A 54 7.297 4.880 5.555 1.00 10.00 N ATOM 764 CA LYS A 54 8.166 5.924 6.110 1.00 10.00 C ATOM 765 C LYS A 54 8.131 5.975 7.640 1.00 10.00 C ATOM 766 O LYS A 54 9.176 5.935 8.285 1.00 10.00 O ATOM 767 CB LYS A 54 7.750 7.288 5.612 1.00 10.00 C ATOM 768 CG LYS A 54 8.010 7.488 4.126 1.00 10.00 C ATOM 769 CD LYS A 54 7.831 8.991 3.946 1.00 10.00 C ATOM 770 CE LYS A 54 7.305 9.407 2.563 1.00 10.00 C ATOM 771 NZ LYS A 54 6.279 10.476 2.653 1.00 10.00 N ATOM 0 H LYS A 54 6.705 5.221 4.797 1.00 10.00 H new ATOM 0 HA LYS A 54 9.173 5.670 5.781 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.688 7.432 5.811 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.286 8.052 6.174 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.012 7.164 3.844 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.308 6.922 3.514 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.143 9.356 4.708 1.00 10.00 H new ATOM 0 HD3 LYS A 54 8.789 9.482 4.120 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.136 9.754 1.949 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.879 8.538 2.061 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 6.076 10.843 1.701 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 5.408 10.087 3.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 6.633 11.248 3.254 1.00 10.00 H new ATOM 859 N LYS A 61 12.887 0.793 -0.539 1.00 10.00 N ATOM 860 CA LYS A 61 14.154 0.710 -1.283 1.00 10.00 C ATOM 861 C LYS A 61 13.929 0.185 -2.713 1.00 10.00 C ATOM 862 O LYS A 61 14.733 -0.553 -3.279 1.00 10.00 O ATOM 863 CB LYS A 61 15.099 -0.206 -0.510 1.00 10.00 C ATOM 864 CG LYS A 61 16.574 0.060 -0.852 1.00 10.00 C ATOM 865 CD LYS A 61 17.468 -1.047 -0.277 1.00 10.00 C ATOM 866 CE LYS A 61 18.941 -0.745 -0.587 1.00 10.00 C ATOM 867 NZ LYS A 61 19.830 -1.841 -0.144 1.00 10.00 N ATOM 0 HA LYS A 61 14.590 1.705 -1.377 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.945 -0.065 0.560 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.858 -1.245 -0.733 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.699 0.111 -1.934 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.878 1.026 -0.450 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.322 -1.121 0.801 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.188 -2.010 -0.703 1.00 10.00 H new ATOM 0 HE2 LYS A 61 19.063 -0.589 -1.659 1.00 10.00 H new ATOM 0 HE3 LYS A 61 19.234 0.182 -0.095 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.816 -1.601 -0.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.733 -1.973 0.883 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.567 -2.720 -0.633 1.00 10.00 H new ATOM 881 N CYS A 62 12.759 0.522 -3.245 1.00 10.00 N ATOM 882 CA CYS A 62 12.172 0.033 -4.497 1.00 10.00 C ATOM 883 C CYS A 62 11.869 -1.471 -4.426 1.00 10.00 C ATOM 884 O CYS A 62 10.704 -1.862 -4.387 1.00 10.00 O ATOM 885 CB CYS A 62 13.001 0.378 -5.719 1.00 10.00 C ATOM 886 SG CYS A 62 13.706 2.055 -5.722 1.00 10.00 S ATOM 0 H CYS A 62 12.147 1.194 -2.781 1.00 10.00 H new ATOM 0 HA CYS A 62 11.226 0.561 -4.616 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.815 -0.342 -5.802 1.00 10.00 H new ATOM 0 HB3 CYS A 62 12.379 0.260 -6.606 1.00 10.00 H new ATOM 0 HG CYS A 62 14.394 2.235 -6.810 1.00 10.00 H new ATOM 891 N GLY A 63 12.919 -2.299 -4.363 1.00 10.00 N ATOM 892 CA GLY A 63 12.854 -3.760 -4.316 1.00 10.00 C ATOM 893 C GLY A 63 11.924 -4.287 -3.218 1.00 10.00 C ATOM 894 O GLY A 63 11.179 -5.242 -3.410 1.00 10.00 O ATOM 0 H GLY A 63 13.878 -1.951 -4.343 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.514 -4.134 -5.282 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.856 -4.157 -4.156 1.00 10.00 H new ATOM 898 N GLY A 64 11.947 -3.630 -2.054 1.00 10.00 N ATOM 899 CA GLY A 64 11.065 -3.946 -0.934 1.00 10.00 C ATOM 900 C GLY A 64 9.565 -3.833 -1.248 1.00 10.00 C ATOM 901 O GLY A 64 8.750 -4.390 -0.518 1.00 10.00 O ATOM 0 H GLY A 64 12.585 -2.857 -1.864 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.277 -4.961 -0.597 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.300 -3.279 -0.104 1.00 10.00 H new ATOM 905 N CYS A 65 9.197 -3.112 -2.315 1.00 10.00 N ATOM 906 CA CYS A 65 7.834 -3.082 -2.843 1.00 10.00 C ATOM 907 C CYS A 65 7.751 -3.856 -4.162 1.00 10.00 C ATOM 908 O CYS A 65 6.987 -4.805 -4.275 1.00 10.00 O ATOM 909 CB CYS A 65 7.366 -1.660 -3.010 1.00 10.00 C ATOM 910 SG CYS A 65 6.968 -0.894 -1.406 1.00 10.00 S ATOM 0 H CYS A 65 9.848 -2.527 -2.839 1.00 10.00 H new ATOM 0 HA CYS A 65 7.171 -3.571 -2.129 1.00 10.00 H new ATOM 0 HB2 CYS A 65 8.140 -1.078 -3.510 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.486 -1.639 -3.653 1.00 10.00 H new ATOM 0 HG CYS A 65 6.572 0.330 -1.596 1.00 10.00 H new ATOM 915 N HIS A 66 8.524 -3.447 -5.169 1.00 10.00 N ATOM 916 CA HIS A 66 8.487 -4.036 -6.499 1.00 10.00 C ATOM 917 C HIS A 66 9.397 -5.270 -6.597 1.00 10.00 C ATOM 918 O HIS A 66 10.597 -5.141 -6.371 1.00 10.00 O ATOM 919 CB HIS A 66 8.940 -2.967 -7.495 1.00 10.00 C ATOM 920 CG HIS A 66 8.051 -1.771 -7.533 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.923 -1.677 -8.289 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.272 -0.553 -6.959 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.470 -0.417 -8.193 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.257 0.316 -7.389 1.00 10.00 N ATOM 0 H HIS A 66 9.200 -2.688 -5.078 1.00 10.00 H new ATOM 0 HA HIS A 66 7.473 -4.369 -6.720 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.951 -2.650 -7.240 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.986 -3.407 -8.491 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.498 -2.429 -8.831 1.00 10.00 H new ATOM 0 HD2 HIS A 66 9.084 -0.302 -6.292 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.590 -0.043 -8.695 1.00 10.00 H new ATOM 932 N ILE A 67 8.866 -6.432 -6.999 1.00 10.00 N ATOM 933 CA ILE A 67 9.690 -7.635 -7.192 1.00 10.00 C ATOM 934 C ILE A 67 10.938 -7.351 -8.051 1.00 10.00 C ATOM 935 O ILE A 67 10.828 -6.808 -9.151 1.00 10.00 O ATOM 936 CB ILE A 67 8.864 -8.785 -7.800 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.600 -9.126 -6.993 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.728 -10.046 -7.966 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.846 -9.432 -5.511 1.00 10.00 C ATOM 0 H ILE A 67 7.874 -6.566 -7.196 1.00 10.00 H new ATOM 0 HA ILE A 67 10.035 -7.943 -6.205 1.00 10.00 H new ATOM 0 HB ILE A 67 8.532 -8.430 -8.776 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.903 -8.291 -7.066 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.115 -9.988 -7.452 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.126 -10.846 -8.397 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.567 -9.828 -8.627 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.105 -10.360 -6.992 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.898 -9.661 -5.024 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.515 -10.288 -5.422 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.300 -8.565 -5.031 1.00 10.00 H new ATOM 951 N LYS A 68 12.117 -7.716 -7.540 1.00 10.00 N ATOM 952 CA LYS A 68 13.424 -7.475 -8.126 1.00 10.00 C ATOM 953 C LYS A 68 14.427 -8.423 -7.453 1.00 10.00 C ATOM 954 O LYS A 68 14.115 -8.859 -6.321 1.00 10.00 O ATOM 955 CB LYS A 68 13.785 -6.000 -7.902 1.00 10.00 C ATOM 956 CG LYS A 68 15.245 -5.718 -8.273 1.00 10.00 C ATOM 957 CD LYS A 68 15.571 -4.219 -8.272 1.00 10.00 C ATOM 958 CE LYS A 68 14.978 -3.521 -9.503 1.00 10.00 C ATOM 959 NZ LYS A 68 15.334 -2.087 -9.534 1.00 10.00 N ATOM 960 OXT LYS A 68 15.484 -8.677 -8.073 1.00 10.00 O ATOM 0 H LYS A 68 12.180 -8.217 -6.654 1.00 10.00 H new ATOM 0 HA LYS A 68 13.436 -7.668 -9.199 1.00 10.00 H new ATOM 0 HB2 LYS A 68 13.128 -5.368 -8.500 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.616 -5.737 -6.858 1.00 10.00 H new ATOM 0 HG2 LYS A 68 15.901 -6.230 -7.569 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.452 -6.131 -9.260 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.178 -3.759 -7.365 1.00 10.00 H new ATOM 0 HD3 LYS A 68 16.652 -4.079 -8.257 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.341 -4.007 -10.409 1.00 10.00 H new ATOM 0 HE3 LYS A 68 13.893 -3.628 -9.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 14.918 -1.644 -10.378 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 14.966 -1.619 -8.681 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.369 -1.987 -9.565 1.00 10.00 H new