USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 852 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 60 GLN :FLIP amide:sc= -1.72! F(o=-5.9,f=-2.6!) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.835 K(o=-2.6,f=-8.8!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -177:sc= 0.0422 (180deg=-0.188) USER MOD Set 2.2: A 19 ASN : amide:sc= 0.157 K(o=0.2,f=-4.3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -114:sc= 0.0102 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -146:sc= -6.07! (180deg=-11.3!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.125 USER MOD Single : A 42 ASN : amide:sc= -0.386 K(o=-0.39,f=-3.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -70:sc= 0.0304 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 97:sc= -0.096 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 137:sc= -20.5! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -104:sc= 0.203 USER MOD Single : A 73 THR OG1 : rot -150:sc= -4.32! USER MOD Single : A 74 THR OG1 : rot 22:sc= 0.134! USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00968) USER MOD Single : A 76 GLN : amide:sc= -0.502 K(o=-0.5,f=-4!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.69) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.78 F(o=-1.4,f=-0.78) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 79:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.486 8.897 4.279 1.00 0.00 N ATOM 72 CA ARG A 5 -7.626 7.712 3.999 1.00 0.00 C ATOM 73 C ARG A 5 -7.552 6.834 5.252 1.00 0.00 C ATOM 74 O ARG A 5 -7.217 7.295 6.325 1.00 0.00 O ATOM 75 CB ARG A 5 -6.220 8.179 3.617 1.00 0.00 C ATOM 76 CG ARG A 5 -6.302 9.106 2.402 1.00 0.00 C ATOM 77 CD ARG A 5 -5.629 10.440 2.728 1.00 0.00 C ATOM 78 NE ARG A 5 -6.607 11.337 3.408 1.00 0.00 N ATOM 79 CZ ARG A 5 -6.203 12.157 4.340 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.318 13.076 4.065 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.685 12.058 5.549 1.00 0.00 N ATOM 0 HA ARG A 5 -8.051 7.138 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.758 8.701 4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.589 7.320 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.815 8.642 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.344 9.270 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.763 10.276 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.264 10.908 1.814 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.592 11.310 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.941 13.154 3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.004 13.716 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.377 11.340 5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.370 12.698 6.278 1.00 0.00 H new ATOM 95 N ILE A 6 -7.868 5.575 5.125 1.00 0.00 N ATOM 96 CA ILE A 6 -7.822 4.670 6.309 1.00 0.00 C ATOM 97 C ILE A 6 -6.455 4.776 6.991 1.00 0.00 C ATOM 98 O ILE A 6 -6.361 4.875 8.198 1.00 0.00 O ATOM 99 CB ILE A 6 -8.052 3.224 5.858 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.521 3.038 5.471 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.703 2.269 7.002 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.826 1.545 5.319 1.00 0.00 C ATOM 0 H ILE A 6 -8.156 5.133 4.252 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.601 4.963 7.013 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.418 3.008 4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.167 3.476 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.731 3.559 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.867 1.241 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.657 2.400 7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.336 2.485 7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.872 1.414 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.190 1.121 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.633 1.036 6.263 1.00 0.00 H new ATOM 114 N ARG A 7 -5.395 4.742 6.231 1.00 0.00 N ATOM 115 CA ARG A 7 -4.040 4.826 6.847 1.00 0.00 C ATOM 116 C ARG A 7 -3.129 5.700 5.982 1.00 0.00 C ATOM 117 O ARG A 7 -3.219 5.703 4.771 1.00 0.00 O ATOM 118 CB ARG A 7 -3.450 3.422 6.952 1.00 0.00 C ATOM 119 CG ARG A 7 -3.476 2.972 8.413 1.00 0.00 C ATOM 120 CD ARG A 7 -2.126 3.280 9.057 1.00 0.00 C ATOM 121 NE ARG A 7 -2.245 4.496 9.910 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.178 5.176 10.237 1.00 0.00 C ATOM 123 NH1 ARG A 7 0.004 4.764 9.862 1.00 0.00 N ATOM 124 NH2 ARG A 7 -1.293 6.269 10.942 1.00 0.00 N ATOM 0 H ARG A 7 -5.408 4.660 5.214 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.120 5.268 7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.021 2.728 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.427 3.416 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.274 3.485 8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.686 1.904 8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.797 2.433 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.371 3.437 8.286 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.162 4.798 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.096 3.910 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.835 5.297 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.215 6.591 11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.461 6.801 11.198 1.00 0.00 H new ATOM 138 N GLU A 8 -2.246 6.437 6.599 1.00 0.00 N ATOM 139 CA GLU A 8 -1.318 7.306 5.821 1.00 0.00 C ATOM 140 C GLU A 8 -0.056 7.551 6.644 1.00 0.00 C ATOM 141 O GLU A 8 -0.117 7.875 7.814 1.00 0.00 O ATOM 142 CB GLU A 8 -1.991 8.646 5.515 1.00 0.00 C ATOM 143 CG GLU A 8 -2.746 9.137 6.751 1.00 0.00 C ATOM 144 CD GLU A 8 -4.217 8.729 6.649 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.525 7.602 7.000 1.00 0.00 O ATOM 146 OE2 GLU A 8 -5.011 9.550 6.220 1.00 0.00 O ATOM 0 H GLU A 8 -2.127 6.475 7.611 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.062 6.813 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.242 9.381 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.679 8.536 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.302 8.714 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.664 10.221 6.833 1.00 0.00 H new ATOM 153 N GLY A 9 1.089 7.393 6.046 1.00 0.00 N ATOM 154 CA GLY A 9 2.354 7.612 6.791 1.00 0.00 C ATOM 155 C GLY A 9 3.479 7.893 5.798 1.00 0.00 C ATOM 156 O GLY A 9 3.269 8.477 4.755 1.00 0.00 O ATOM 0 H GLY A 9 1.202 7.121 5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.244 8.449 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.593 6.734 7.391 1.00 0.00 H new ATOM 160 N TYR A 10 4.670 7.485 6.121 1.00 0.00 N ATOM 161 CA TYR A 10 5.819 7.733 5.205 1.00 0.00 C ATOM 162 C TYR A 10 6.746 6.514 5.176 1.00 0.00 C ATOM 163 O TYR A 10 7.638 6.385 5.991 1.00 0.00 O ATOM 164 CB TYR A 10 6.604 8.945 5.710 1.00 0.00 C ATOM 165 CG TYR A 10 7.054 8.688 7.129 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.110 8.626 8.163 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.414 8.506 7.411 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.526 8.385 9.479 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.830 8.263 8.726 1.00 0.00 C ATOM 170 CZ TYR A 10 7.887 8.202 9.760 1.00 0.00 C ATOM 171 OH TYR A 10 8.297 7.963 11.055 1.00 0.00 O ATOM 0 H TYR A 10 4.901 6.989 6.982 1.00 0.00 H new ATOM 0 HA TYR A 10 5.442 7.918 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.467 9.127 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.982 9.839 5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.061 8.764 7.945 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.142 8.553 6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.799 8.340 10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.879 8.123 8.943 1.00 0.00 H new ATOM 0 HH TYR A 10 9.271 7.858 11.076 1.00 0.00 H new ATOM 181 N LEU A 11 6.556 5.628 4.236 1.00 0.00 N ATOM 182 CA LEU A 11 7.444 4.432 4.150 1.00 0.00 C ATOM 183 C LEU A 11 8.179 4.459 2.809 1.00 0.00 C ATOM 184 O LEU A 11 7.735 5.077 1.863 1.00 0.00 O ATOM 185 CB LEU A 11 6.616 3.143 4.243 1.00 0.00 C ATOM 186 CG LEU A 11 5.613 3.220 5.401 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.229 3.935 6.604 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.372 3.974 4.928 1.00 0.00 C ATOM 0 H LEU A 11 5.826 5.680 3.525 1.00 0.00 H new ATOM 0 HA LEU A 11 8.156 4.454 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.084 2.979 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.279 2.290 4.387 1.00 0.00 H new ATOM 0 HG LEU A 11 5.342 2.210 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.501 3.978 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.111 3.390 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.515 4.947 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.651 4.035 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.654 4.980 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.924 3.446 4.086 1.00 0.00 H new ATOM 200 N VAL A 12 9.299 3.798 2.717 1.00 0.00 N ATOM 201 CA VAL A 12 10.053 3.796 1.430 1.00 0.00 C ATOM 202 C VAL A 12 9.445 2.762 0.482 1.00 0.00 C ATOM 203 O VAL A 12 8.875 1.775 0.902 1.00 0.00 O ATOM 204 CB VAL A 12 11.523 3.458 1.701 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.606 2.292 2.686 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.214 3.066 0.391 1.00 0.00 C ATOM 0 H VAL A 12 9.724 3.261 3.473 1.00 0.00 H new ATOM 0 HA VAL A 12 9.991 4.781 0.968 1.00 0.00 H new ATOM 0 HB VAL A 12 12.019 4.331 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.652 2.052 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.120 2.570 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.106 1.421 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.259 2.827 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.717 2.195 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.159 3.897 -0.312 1.00 0.00 H new ATOM 216 N LYS A 13 9.557 2.984 -0.799 1.00 0.00 N ATOM 217 CA LYS A 13 8.983 2.017 -1.775 1.00 0.00 C ATOM 218 C LYS A 13 10.023 1.702 -2.852 1.00 0.00 C ATOM 219 O LYS A 13 10.738 2.570 -3.312 1.00 0.00 O ATOM 220 CB LYS A 13 7.742 2.629 -2.428 1.00 0.00 C ATOM 221 CG LYS A 13 6.628 2.755 -1.386 1.00 0.00 C ATOM 222 CD LYS A 13 5.332 2.167 -1.948 1.00 0.00 C ATOM 223 CE LYS A 13 4.886 0.990 -1.079 1.00 0.00 C ATOM 224 NZ LYS A 13 3.425 0.762 -1.264 1.00 0.00 N ATOM 0 H LYS A 13 10.021 3.793 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 13 8.706 1.098 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.981 3.609 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.410 2.006 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.910 2.232 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.480 3.802 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.554 2.930 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.486 1.837 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.442 0.093 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.103 1.195 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.926 0.969 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.068 1.387 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.259 -0.229 -1.532 1.00 0.00 H new ATOM 238 N LYS A 14 10.113 0.466 -3.259 1.00 0.00 N ATOM 239 CA LYS A 14 11.106 0.097 -4.306 1.00 0.00 C ATOM 240 C LYS A 14 10.513 0.376 -5.689 1.00 0.00 C ATOM 241 O LYS A 14 9.558 -0.249 -6.102 1.00 0.00 O ATOM 242 CB LYS A 14 11.445 -1.391 -4.185 1.00 0.00 C ATOM 243 CG LYS A 14 12.630 -1.723 -5.092 1.00 0.00 C ATOM 244 CD LYS A 14 12.733 -3.240 -5.263 1.00 0.00 C ATOM 245 CE LYS A 14 12.143 -3.644 -6.615 1.00 0.00 C ATOM 246 NZ LYS A 14 13.070 -3.230 -7.704 1.00 0.00 N ATOM 0 H LYS A 14 9.542 -0.304 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 14 12.013 0.687 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.686 -1.636 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.581 -1.995 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.503 -1.245 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.552 -1.331 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.775 -3.553 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.200 -3.744 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.985 -4.722 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.169 -3.175 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.646 -3.458 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.239 -2.206 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.973 -3.736 -7.603 1.00 0.00 H new ATOM 260 N GLY A 15 11.070 1.313 -6.404 1.00 0.00 N ATOM 261 CA GLY A 15 10.537 1.634 -7.759 1.00 0.00 C ATOM 262 C GLY A 15 10.803 0.464 -8.707 1.00 0.00 C ATOM 263 O GLY A 15 11.555 -0.438 -8.400 1.00 0.00 O ATOM 0 H GLY A 15 11.871 1.871 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.467 1.832 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.009 2.539 -8.141 1.00 0.00 H new ATOM 267 N SER A 16 10.190 0.473 -9.860 1.00 0.00 N ATOM 268 CA SER A 16 10.409 -0.639 -10.828 1.00 0.00 C ATOM 269 C SER A 16 11.566 -0.278 -11.763 1.00 0.00 C ATOM 270 O SER A 16 12.221 -1.138 -12.316 1.00 0.00 O ATOM 271 CB SER A 16 9.139 -0.857 -11.650 1.00 0.00 C ATOM 272 OG SER A 16 9.099 0.086 -12.713 1.00 0.00 O ATOM 0 H SER A 16 9.548 1.201 -10.173 1.00 0.00 H new ATOM 0 HA SER A 16 10.651 -1.553 -10.285 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.119 -1.872 -12.048 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.259 -0.746 -11.017 1.00 0.00 H new ATOM 0 HG SER A 16 8.286 -0.053 -13.243 1.00 0.00 H new ATOM 278 N VAL A 17 11.822 0.990 -11.941 1.00 0.00 N ATOM 279 CA VAL A 17 12.936 1.405 -12.840 1.00 0.00 C ATOM 280 C VAL A 17 14.179 0.569 -12.530 1.00 0.00 C ATOM 281 O VAL A 17 14.971 0.269 -13.400 1.00 0.00 O ATOM 282 CB VAL A 17 13.249 2.885 -12.614 1.00 0.00 C ATOM 283 CG1 VAL A 17 13.460 3.141 -11.120 1.00 0.00 C ATOM 284 CG2 VAL A 17 14.520 3.260 -13.380 1.00 0.00 C ATOM 0 H VAL A 17 11.309 1.755 -11.503 1.00 0.00 H new ATOM 0 HA VAL A 17 12.642 1.250 -13.878 1.00 0.00 H new ATOM 0 HB VAL A 17 12.416 3.491 -12.972 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.683 4.196 -10.960 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.555 2.874 -10.574 1.00 0.00 H new ATOM 0 HG13 VAL A 17 14.292 2.536 -10.761 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.744 4.315 -13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 17 15.352 2.654 -13.022 1.00 0.00 H new ATOM 0 HG23 VAL A 17 14.370 3.079 -14.444 1.00 0.00 H new ATOM 294 N PHE A 18 14.356 0.190 -11.293 1.00 0.00 N ATOM 295 CA PHE A 18 15.548 -0.626 -10.928 1.00 0.00 C ATOM 296 C PHE A 18 15.477 -0.995 -9.444 1.00 0.00 C ATOM 297 O PHE A 18 14.481 -0.770 -8.785 1.00 0.00 O ATOM 298 CB PHE A 18 16.821 0.183 -11.190 1.00 0.00 C ATOM 299 CG PHE A 18 17.557 -0.404 -12.371 1.00 0.00 C ATOM 300 CD1 PHE A 18 18.257 -1.610 -12.232 1.00 0.00 C ATOM 301 CD2 PHE A 18 17.539 0.257 -13.607 1.00 0.00 C ATOM 302 CE1 PHE A 18 18.940 -2.155 -13.328 1.00 0.00 C ATOM 303 CE2 PHE A 18 18.222 -0.288 -14.702 1.00 0.00 C ATOM 304 CZ PHE A 18 18.923 -1.493 -14.563 1.00 0.00 C ATOM 0 H PHE A 18 13.727 0.410 -10.521 1.00 0.00 H new ATOM 0 HA PHE A 18 15.564 -1.535 -11.530 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.568 1.225 -11.387 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.460 0.171 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.270 -2.120 -11.280 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.999 1.186 -13.715 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.479 -3.085 -13.221 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.208 0.221 -15.654 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.450 -1.912 -15.408 1.00 0.00 H new ATOM 314 N ASN A 19 16.526 -1.563 -8.915 1.00 0.00 N ATOM 315 CA ASN A 19 16.519 -1.949 -7.476 1.00 0.00 C ATOM 316 C ASN A 19 16.868 -0.729 -6.618 1.00 0.00 C ATOM 317 O ASN A 19 18.007 -0.522 -6.252 1.00 0.00 O ATOM 318 CB ASN A 19 17.553 -3.052 -7.241 1.00 0.00 C ATOM 319 CG ASN A 19 17.012 -4.380 -7.775 1.00 0.00 C ATOM 320 OD1 ASN A 19 15.901 -4.445 -8.263 1.00 0.00 O ATOM 321 ND2 ASN A 19 17.756 -5.451 -7.701 1.00 0.00 N ATOM 0 H ASN A 19 17.388 -1.776 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 19 15.529 -2.314 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.489 -2.801 -7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.773 -3.138 -6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.404 -6.342 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.689 -5.397 -7.291 1.00 0.00 H new ATOM 328 N THR A 20 15.896 0.081 -6.295 1.00 0.00 N ATOM 329 CA THR A 20 16.176 1.283 -5.461 1.00 0.00 C ATOM 330 C THR A 20 15.234 1.301 -4.255 1.00 0.00 C ATOM 331 O THR A 20 14.257 0.580 -4.209 1.00 0.00 O ATOM 332 CB THR A 20 15.955 2.547 -6.296 1.00 0.00 C ATOM 333 OG1 THR A 20 14.682 2.483 -6.922 1.00 0.00 O ATOM 334 CG2 THR A 20 17.046 2.651 -7.362 1.00 0.00 C ATOM 0 H THR A 20 14.922 -0.038 -6.573 1.00 0.00 H new ATOM 0 HA THR A 20 17.209 1.250 -5.115 1.00 0.00 H new ATOM 0 HB THR A 20 15.997 3.423 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.539 3.293 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.889 3.551 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.022 2.701 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.006 1.776 -8.011 1.00 0.00 H new ATOM 342 N TRP A 21 15.520 2.119 -3.279 1.00 0.00 N ATOM 343 CA TRP A 21 14.643 2.182 -2.075 1.00 0.00 C ATOM 344 C TRP A 21 14.702 3.587 -1.472 1.00 0.00 C ATOM 345 O TRP A 21 15.682 3.972 -0.868 1.00 0.00 O ATOM 346 CB TRP A 21 15.128 1.168 -1.038 1.00 0.00 C ATOM 347 CG TRP A 21 14.531 -0.167 -1.337 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.951 -1.004 -2.313 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.418 -0.834 -0.676 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.165 -2.140 -2.297 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.207 -2.085 -1.304 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.580 -0.478 0.397 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.197 -2.952 -0.881 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.563 -1.348 0.826 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.373 -2.582 0.187 1.00 0.00 C ATOM 0 H TRP A 21 16.324 2.747 -3.263 1.00 0.00 H new ATOM 0 HA TRP A 21 13.617 1.951 -2.363 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.216 1.105 -1.055 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.843 1.490 -0.036 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.768 -0.815 -2.994 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.278 -2.924 -2.940 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.719 0.470 0.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.053 -3.902 -1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.925 -1.065 1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.590 -3.247 0.520 1.00 0.00 H new ATOM 366 N LYS A 22 13.660 4.358 -1.630 1.00 0.00 N ATOM 367 CA LYS A 22 13.669 5.736 -1.060 1.00 0.00 C ATOM 368 C LYS A 22 12.365 5.984 -0.285 1.00 0.00 C ATOM 369 O LYS A 22 11.294 5.691 -0.779 1.00 0.00 O ATOM 370 CB LYS A 22 13.782 6.757 -2.196 1.00 0.00 C ATOM 371 CG LYS A 22 14.785 6.258 -3.239 1.00 0.00 C ATOM 372 CD LYS A 22 15.851 7.331 -3.477 1.00 0.00 C ATOM 373 CE LYS A 22 15.792 7.795 -4.933 1.00 0.00 C ATOM 374 NZ LYS A 22 17.173 8.049 -5.430 1.00 0.00 N ATOM 0 H LYS A 22 12.808 4.096 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 22 14.519 5.841 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.807 6.910 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.102 7.721 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.253 5.335 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.271 6.028 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.687 8.176 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.840 6.932 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.306 7.037 -5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.193 8.702 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.133 8.365 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.621 8.787 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.731 7.173 -5.368 1.00 0.00 H new ATOM 388 N PRO A 23 12.492 6.523 0.906 1.00 0.00 N ATOM 389 CA PRO A 23 11.336 6.819 1.744 1.00 0.00 C ATOM 390 C PRO A 23 10.318 7.648 0.955 1.00 0.00 C ATOM 391 O PRO A 23 10.676 8.407 0.076 1.00 0.00 O ATOM 392 CB PRO A 23 11.902 7.628 2.907 1.00 0.00 C ATOM 393 CG PRO A 23 13.400 7.195 2.961 1.00 0.00 C ATOM 394 CD PRO A 23 13.796 6.870 1.494 1.00 0.00 C ATOM 0 HA PRO A 23 10.820 5.921 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.800 8.700 2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.386 7.403 3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.023 7.991 3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.533 6.325 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.257 7.723 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.505 6.045 1.434 1.00 0.00 H new ATOM 402 N MET A 24 9.054 7.514 1.255 1.00 0.00 N ATOM 403 CA MET A 24 8.033 8.303 0.509 1.00 0.00 C ATOM 404 C MET A 24 6.740 8.394 1.318 1.00 0.00 C ATOM 405 O MET A 24 6.547 7.685 2.287 1.00 0.00 O ATOM 406 CB MET A 24 7.744 7.624 -0.837 1.00 0.00 C ATOM 407 CG MET A 24 6.773 6.449 -0.654 1.00 0.00 C ATOM 408 SD MET A 24 5.213 6.823 -1.490 1.00 0.00 S ATOM 409 CE MET A 24 5.601 6.015 -3.063 1.00 0.00 C ATOM 0 H MET A 24 8.687 6.897 1.979 1.00 0.00 H new ATOM 0 HA MET A 24 8.418 9.309 0.340 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.319 8.349 -1.532 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.675 7.268 -1.278 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.208 5.537 -1.063 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.596 6.271 0.407 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.139 6.569 -3.880 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.682 5.993 -3.204 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.216 4.995 -3.053 1.00 0.00 H new ATOM 419 N TRP A 25 5.842 9.243 0.905 1.00 0.00 N ATOM 420 CA TRP A 25 4.550 9.360 1.622 1.00 0.00 C ATOM 421 C TRP A 25 3.555 8.429 0.954 1.00 0.00 C ATOM 422 O TRP A 25 3.581 8.233 -0.244 1.00 0.00 O ATOM 423 CB TRP A 25 4.036 10.796 1.546 1.00 0.00 C ATOM 424 CG TRP A 25 2.852 10.953 2.446 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.567 11.056 2.033 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.821 11.022 3.902 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.751 11.201 3.142 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.478 11.183 4.316 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.822 10.965 4.891 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.140 11.287 5.668 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.484 11.065 6.251 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.146 11.228 6.638 1.00 0.00 C ATOM 0 H TRP A 25 5.950 9.860 0.100 1.00 0.00 H new ATOM 0 HA TRP A 25 4.680 9.093 2.671 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.823 11.491 1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.761 11.041 0.520 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.233 11.029 1.006 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.262 11.308 3.097 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.856 10.844 4.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.108 11.412 5.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.258 11.016 7.002 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.892 11.308 7.685 1.00 0.00 H new ATOM 443 N VAL A 26 2.694 7.832 1.714 1.00 0.00 N ATOM 444 CA VAL A 26 1.727 6.894 1.104 1.00 0.00 C ATOM 445 C VAL A 26 0.434 6.867 1.924 1.00 0.00 C ATOM 446 O VAL A 26 0.455 6.788 3.137 1.00 0.00 O ATOM 447 CB VAL A 26 2.379 5.512 1.058 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.199 5.296 2.326 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.310 4.421 0.936 1.00 0.00 C ATOM 0 H VAL A 26 2.617 7.951 2.724 1.00 0.00 H new ATOM 0 HA VAL A 26 1.467 7.210 0.094 1.00 0.00 H new ATOM 0 HB VAL A 26 3.032 5.456 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.665 4.311 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.972 6.061 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.547 5.362 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.790 3.443 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.641 4.469 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.737 4.574 0.021 1.00 0.00 H new ATOM 459 N VAL A 27 -0.690 6.936 1.265 1.00 0.00 N ATOM 460 CA VAL A 27 -1.989 6.919 1.995 1.00 0.00 C ATOM 461 C VAL A 27 -2.855 5.776 1.464 1.00 0.00 C ATOM 462 O VAL A 27 -3.401 5.850 0.380 1.00 0.00 O ATOM 463 CB VAL A 27 -2.711 8.248 1.773 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.041 9.342 2.605 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.637 8.621 0.292 1.00 0.00 C ATOM 0 H VAL A 27 -0.765 7.004 0.250 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.808 6.774 3.060 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.753 8.150 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.557 10.288 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.089 9.077 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.999 9.442 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.151 9.568 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.593 8.718 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.114 7.843 -0.304 1.00 0.00 H new ATOM 475 N LEU A 28 -2.987 4.719 2.214 1.00 0.00 N ATOM 476 CA LEU A 28 -3.819 3.578 1.745 1.00 0.00 C ATOM 477 C LEU A 28 -5.296 3.880 2.004 1.00 0.00 C ATOM 478 O LEU A 28 -5.740 3.937 3.135 1.00 0.00 O ATOM 479 CB LEU A 28 -3.418 2.309 2.500 1.00 0.00 C ATOM 480 CG LEU A 28 -3.648 2.508 3.998 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.901 1.743 4.425 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.437 1.978 4.768 1.00 0.00 C ATOM 0 H LEU A 28 -2.555 4.596 3.130 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.661 3.431 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.002 1.461 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.370 2.077 2.311 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.781 3.568 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.067 1.884 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.762 2.118 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.769 0.682 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.596 2.118 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.307 0.917 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.544 2.521 4.460 1.00 0.00 H new ATOM 494 N LEU A 29 -6.064 4.073 0.965 1.00 0.00 N ATOM 495 CA LEU A 29 -7.512 4.368 1.153 1.00 0.00 C ATOM 496 C LEU A 29 -8.316 3.076 0.998 1.00 0.00 C ATOM 497 O LEU A 29 -7.847 2.103 0.441 1.00 0.00 O ATOM 498 CB LEU A 29 -7.970 5.386 0.105 1.00 0.00 C ATOM 499 CG LEU A 29 -7.100 6.642 0.195 1.00 0.00 C ATOM 500 CD1 LEU A 29 -6.134 6.681 -0.990 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.995 7.883 0.161 1.00 0.00 C ATOM 0 H LEU A 29 -5.750 4.039 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.673 4.781 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.899 4.953 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.017 5.644 0.267 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.533 6.625 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.515 7.576 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.497 5.797 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.701 6.699 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.377 8.779 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.561 7.898 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.685 7.857 1.004 1.00 0.00 H new ATOM 513 N GLU A 30 -9.523 3.056 1.490 1.00 0.00 N ATOM 514 CA GLU A 30 -10.356 1.825 1.378 1.00 0.00 C ATOM 515 C GLU A 30 -10.835 1.659 -0.063 1.00 0.00 C ATOM 516 O GLU A 30 -11.356 0.627 -0.437 1.00 0.00 O ATOM 517 CB GLU A 30 -11.567 1.942 2.307 1.00 0.00 C ATOM 518 CG GLU A 30 -12.398 3.164 1.912 1.00 0.00 C ATOM 519 CD GLU A 30 -13.829 2.726 1.592 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.019 2.103 0.561 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.710 3.021 2.383 1.00 0.00 O ATOM 0 H GLU A 30 -9.970 3.840 1.966 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.760 0.958 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.175 1.040 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.237 2.033 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.402 3.892 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.954 3.654 1.046 1.00 0.00 H new ATOM 528 N ASP A 31 -10.663 2.663 -0.876 1.00 0.00 N ATOM 529 CA ASP A 31 -11.110 2.555 -2.292 1.00 0.00 C ATOM 530 C ASP A 31 -9.887 2.459 -3.209 1.00 0.00 C ATOM 531 O ASP A 31 -10.009 2.413 -4.417 1.00 0.00 O ATOM 532 CB ASP A 31 -11.931 3.792 -2.665 1.00 0.00 C ATOM 533 CG ASP A 31 -11.062 5.043 -2.523 1.00 0.00 C ATOM 534 OD1 ASP A 31 -9.957 5.037 -3.040 1.00 0.00 O ATOM 535 OD2 ASP A 31 -11.516 5.988 -1.898 1.00 0.00 O ATOM 0 H ASP A 31 -10.233 3.552 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.724 1.662 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.296 3.704 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.806 3.869 -2.020 1.00 0.00 H new ATOM 540 N GLY A 32 -8.708 2.428 -2.647 1.00 0.00 N ATOM 541 CA GLY A 32 -7.483 2.334 -3.496 1.00 0.00 C ATOM 542 C GLY A 32 -6.310 3.012 -2.787 1.00 0.00 C ATOM 543 O GLY A 32 -6.470 4.003 -2.105 1.00 0.00 O ATOM 0 H GLY A 32 -8.540 2.463 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.246 1.289 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.661 2.809 -4.461 1.00 0.00 H new ATOM 547 N ILE A 33 -5.129 2.481 -2.943 1.00 0.00 N ATOM 548 CA ILE A 33 -3.941 3.087 -2.280 1.00 0.00 C ATOM 549 C ILE A 33 -3.261 4.078 -3.228 1.00 0.00 C ATOM 550 O ILE A 33 -2.973 3.769 -4.367 1.00 0.00 O ATOM 551 CB ILE A 33 -2.946 1.986 -1.914 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.708 0.721 -1.510 1.00 0.00 C ATOM 553 CG2 ILE A 33 -2.077 2.451 -0.744 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.597 1.026 -0.305 1.00 0.00 C ATOM 0 H ILE A 33 -4.935 1.651 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.265 3.610 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.313 1.770 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.315 0.367 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.007 -0.077 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.368 1.666 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.533 3.351 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.711 2.668 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.140 0.126 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.979 1.359 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.307 1.810 -0.566 1.00 0.00 H new ATOM 566 N GLU A 34 -2.987 5.260 -2.754 1.00 0.00 N ATOM 567 CA GLU A 34 -2.307 6.275 -3.606 1.00 0.00 C ATOM 568 C GLU A 34 -1.166 6.891 -2.796 1.00 0.00 C ATOM 569 O GLU A 34 -1.390 7.549 -1.800 1.00 0.00 O ATOM 570 CB GLU A 34 -3.302 7.364 -4.011 1.00 0.00 C ATOM 571 CG GLU A 34 -4.006 7.905 -2.766 1.00 0.00 C ATOM 572 CD GLU A 34 -5.417 8.362 -3.136 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.964 7.825 -4.085 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.929 9.244 -2.464 1.00 0.00 O ATOM 0 H GLU A 34 -3.206 5.569 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.917 5.807 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.783 8.171 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.035 6.959 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.052 7.134 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.440 8.738 -2.348 1.00 0.00 H new ATOM 581 N PHE A 35 0.055 6.665 -3.193 1.00 0.00 N ATOM 582 CA PHE A 35 1.193 7.222 -2.411 1.00 0.00 C ATOM 583 C PHE A 35 2.027 8.173 -3.271 1.00 0.00 C ATOM 584 O PHE A 35 2.178 7.987 -4.461 1.00 0.00 O ATOM 585 CB PHE A 35 2.069 6.071 -1.918 1.00 0.00 C ATOM 586 CG PHE A 35 2.287 5.073 -3.031 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.048 5.427 -4.153 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.731 3.791 -2.938 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.255 4.498 -5.181 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.938 2.861 -3.967 1.00 0.00 C ATOM 591 CZ PHE A 35 2.700 3.216 -5.087 1.00 0.00 C ATOM 0 H PHE A 35 0.313 6.123 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 35 0.800 7.783 -1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.028 6.456 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.595 5.581 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.475 6.416 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.143 3.519 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.842 4.771 -6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.510 1.872 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.860 2.500 -5.879 1.00 0.00 H new ATOM 601 N TYR A 36 2.583 9.189 -2.662 1.00 0.00 N ATOM 602 CA TYR A 36 3.430 10.151 -3.422 1.00 0.00 C ATOM 603 C TYR A 36 4.773 10.294 -2.704 1.00 0.00 C ATOM 604 O TYR A 36 5.231 9.388 -2.038 1.00 0.00 O ATOM 605 CB TYR A 36 2.763 11.531 -3.479 1.00 0.00 C ATOM 606 CG TYR A 36 1.262 11.418 -3.376 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.569 10.443 -4.105 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.558 12.316 -2.565 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.828 10.368 -4.022 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.837 12.240 -2.478 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.531 11.267 -3.209 1.00 0.00 C ATOM 612 OH TYR A 36 -2.906 11.195 -3.128 1.00 0.00 O ATOM 0 H TYR A 36 2.485 9.393 -1.667 1.00 0.00 H new ATOM 0 HA TYR A 36 3.565 9.777 -4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.140 12.153 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.029 12.028 -4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.111 9.749 -4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.092 13.069 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.363 9.617 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.378 12.931 -1.848 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.235 11.890 -2.520 1.00 0.00 H new ATOM 622 N LYS A 37 5.398 11.434 -2.821 1.00 0.00 N ATOM 623 CA LYS A 37 6.700 11.645 -2.127 1.00 0.00 C ATOM 624 C LYS A 37 6.436 12.344 -0.792 1.00 0.00 C ATOM 625 O LYS A 37 6.840 11.879 0.255 1.00 0.00 O ATOM 626 CB LYS A 37 7.608 12.522 -2.995 1.00 0.00 C ATOM 627 CG LYS A 37 9.055 12.043 -2.865 1.00 0.00 C ATOM 628 CD LYS A 37 9.713 12.035 -4.246 1.00 0.00 C ATOM 629 CE LYS A 37 11.235 12.031 -4.086 1.00 0.00 C ATOM 630 NZ LYS A 37 11.827 11.004 -4.990 1.00 0.00 N ATOM 0 H LYS A 37 5.063 12.228 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 37 7.190 10.686 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.290 12.474 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.529 13.564 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.607 12.697 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.081 11.043 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.393 11.157 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.399 12.910 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.639 13.015 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.502 11.817 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.861 11.001 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.450 10.066 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.583 11.227 -5.976 1.00 0.00 H new ATOM 644 N LYS A 38 5.744 13.452 -0.822 1.00 0.00 N ATOM 645 CA LYS A 38 5.433 14.178 0.442 1.00 0.00 C ATOM 646 C LYS A 38 3.987 13.871 0.838 1.00 0.00 C ATOM 647 O LYS A 38 3.337 13.042 0.235 1.00 0.00 O ATOM 648 CB LYS A 38 5.598 15.683 0.224 1.00 0.00 C ATOM 649 CG LYS A 38 7.028 16.098 0.577 1.00 0.00 C ATOM 650 CD LYS A 38 7.695 16.723 -0.649 1.00 0.00 C ATOM 651 CE LYS A 38 7.289 18.193 -0.759 1.00 0.00 C ATOM 652 NZ LYS A 38 6.494 18.399 -2.004 1.00 0.00 N ATOM 0 H LYS A 38 5.380 13.886 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 38 6.112 13.858 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.380 15.937 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.886 16.231 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.018 16.811 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.598 15.231 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.779 16.639 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.400 16.185 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.702 18.485 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.176 18.826 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.218 19.399 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.068 18.136 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.640 17.806 -1.973 1.00 0.00 H new ATOM 666 N LYS A 39 3.471 14.528 1.841 1.00 0.00 N ATOM 667 CA LYS A 39 2.066 14.251 2.249 1.00 0.00 C ATOM 668 C LYS A 39 1.144 14.407 1.034 1.00 0.00 C ATOM 669 O LYS A 39 0.035 13.912 1.020 1.00 0.00 O ATOM 670 CB LYS A 39 1.646 15.215 3.367 1.00 0.00 C ATOM 671 CG LYS A 39 0.115 15.296 3.442 1.00 0.00 C ATOM 672 CD LYS A 39 -0.310 15.696 4.854 1.00 0.00 C ATOM 673 CE LYS A 39 0.380 14.777 5.859 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.594 14.355 6.905 1.00 0.00 N ATOM 0 H LYS A 39 3.956 15.237 2.390 1.00 0.00 H new ATOM 0 HA LYS A 39 1.990 13.231 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.048 14.875 4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.062 16.205 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.256 16.023 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.323 14.333 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.042 16.735 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.393 15.621 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.783 13.902 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.222 15.293 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.121 13.729 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.958 15.194 7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.384 13.846 6.459 1.00 0.00 H new ATOM 688 N SER A 40 1.596 15.082 0.012 1.00 0.00 N ATOM 689 CA SER A 40 0.743 15.256 -1.197 1.00 0.00 C ATOM 690 C SER A 40 1.624 15.319 -2.445 1.00 0.00 C ATOM 691 O SER A 40 1.424 14.590 -3.395 1.00 0.00 O ATOM 692 CB SER A 40 -0.054 16.557 -1.083 1.00 0.00 C ATOM 693 OG SER A 40 -0.239 16.877 0.289 1.00 0.00 O ATOM 0 H SER A 40 2.516 15.519 -0.038 1.00 0.00 H new ATOM 0 HA SER A 40 0.058 14.411 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.474 17.366 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.020 16.449 -1.576 1.00 0.00 H new ATOM 0 HG SER A 40 -0.748 17.711 0.365 1.00 0.00 H new ATOM 699 N ASP A 41 2.590 16.200 -2.458 1.00 0.00 N ATOM 700 CA ASP A 41 3.473 16.323 -3.650 1.00 0.00 C ATOM 701 C ASP A 41 2.629 16.717 -4.865 1.00 0.00 C ATOM 702 O ASP A 41 3.095 16.717 -5.986 1.00 0.00 O ATOM 703 CB ASP A 41 4.164 14.979 -3.889 1.00 0.00 C ATOM 704 CG ASP A 41 4.775 14.937 -5.291 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.272 15.961 -5.730 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.738 13.881 -5.899 1.00 0.00 O ATOM 0 H ASP A 41 2.804 16.839 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 41 4.229 17.091 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.942 14.824 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.445 14.168 -3.774 1.00 0.00 H new ATOM 711 N ASN A 42 1.386 17.058 -4.648 1.00 0.00 N ATOM 712 CA ASN A 42 0.501 17.449 -5.776 1.00 0.00 C ATOM 713 C ASN A 42 0.749 16.535 -6.980 1.00 0.00 C ATOM 714 O ASN A 42 0.488 16.902 -8.109 1.00 0.00 O ATOM 715 CB ASN A 42 0.783 18.899 -6.169 1.00 0.00 C ATOM 716 CG ASN A 42 0.357 19.830 -5.033 1.00 0.00 C ATOM 717 OD1 ASN A 42 0.584 19.537 -3.875 1.00 0.00 O ATOM 718 ND2 ASN A 42 -0.257 20.946 -5.315 1.00 0.00 N ATOM 0 H ASN A 42 0.946 17.081 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.538 17.351 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.844 19.029 -6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.242 19.151 -7.081 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.547 21.573 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.447 21.192 -6.286 1.00 0.00 H new ATOM 725 N SER A 43 1.249 15.348 -6.757 1.00 0.00 N ATOM 726 CA SER A 43 1.501 14.430 -7.904 1.00 0.00 C ATOM 727 C SER A 43 1.783 13.015 -7.376 1.00 0.00 C ATOM 728 O SER A 43 2.692 12.824 -6.593 1.00 0.00 O ATOM 729 CB SER A 43 2.707 14.928 -8.699 1.00 0.00 C ATOM 730 OG SER A 43 2.646 14.404 -10.020 1.00 0.00 O ATOM 0 H SER A 43 1.492 14.978 -5.838 1.00 0.00 H new ATOM 0 HA SER A 43 0.624 14.407 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.714 16.018 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.632 14.616 -8.214 1.00 0.00 H new ATOM 0 HG SER A 43 3.417 14.722 -10.534 1.00 0.00 H new ATOM 736 N PRO A 44 0.991 12.064 -7.815 1.00 0.00 N ATOM 737 CA PRO A 44 1.144 10.681 -7.389 1.00 0.00 C ATOM 738 C PRO A 44 2.335 10.019 -8.075 1.00 0.00 C ATOM 739 O PRO A 44 2.775 10.427 -9.131 1.00 0.00 O ATOM 740 CB PRO A 44 -0.154 10.007 -7.812 1.00 0.00 C ATOM 741 CG PRO A 44 -0.631 10.865 -9.026 1.00 0.00 C ATOM 742 CD PRO A 44 -0.111 12.308 -8.760 1.00 0.00 C ATOM 0 HA PRO A 44 1.330 10.604 -6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.007 8.967 -8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.888 10.008 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.233 10.473 -9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.718 10.851 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.234 12.793 -9.673 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.883 12.948 -8.331 1.00 0.00 H new ATOM 750 N LYS A 45 2.852 8.992 -7.465 1.00 0.00 N ATOM 751 CA LYS A 45 4.011 8.270 -8.045 1.00 0.00 C ATOM 752 C LYS A 45 3.597 6.815 -8.311 1.00 0.00 C ATOM 753 O LYS A 45 4.242 6.099 -9.052 1.00 0.00 O ATOM 754 CB LYS A 45 5.179 8.353 -7.043 1.00 0.00 C ATOM 755 CG LYS A 45 5.910 7.014 -6.926 1.00 0.00 C ATOM 756 CD LYS A 45 6.653 6.716 -8.230 1.00 0.00 C ATOM 757 CE LYS A 45 6.833 5.205 -8.385 1.00 0.00 C ATOM 758 NZ LYS A 45 7.600 4.921 -9.630 1.00 0.00 N ATOM 0 H LYS A 45 2.515 8.619 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 45 4.330 8.712 -8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.879 9.125 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.801 8.650 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.614 7.044 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.198 6.217 -6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.095 7.115 -9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.625 7.210 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.359 4.800 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.860 4.714 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.722 3.894 -9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.081 5.294 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.533 5.377 -9.575 1.00 0.00 H new ATOM 772 N GLY A 46 2.521 6.377 -7.712 1.00 0.00 N ATOM 773 CA GLY A 46 2.060 4.977 -7.926 1.00 0.00 C ATOM 774 C GLY A 46 0.768 4.741 -7.137 1.00 0.00 C ATOM 775 O GLY A 46 0.643 5.146 -5.996 1.00 0.00 O ATOM 0 H GLY A 46 1.941 6.932 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.889 4.797 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.830 4.276 -7.603 1.00 0.00 H new ATOM 779 N MET A 47 -0.193 4.091 -7.734 1.00 0.00 N ATOM 780 CA MET A 47 -1.474 3.832 -7.017 1.00 0.00 C ATOM 781 C MET A 47 -1.857 2.359 -7.162 1.00 0.00 C ATOM 782 O MET A 47 -2.069 1.866 -8.251 1.00 0.00 O ATOM 783 CB MET A 47 -2.586 4.697 -7.615 1.00 0.00 C ATOM 784 CG MET A 47 -2.074 6.125 -7.813 1.00 0.00 C ATOM 785 SD MET A 47 -3.015 6.923 -9.137 1.00 0.00 S ATOM 786 CE MET A 47 -1.690 6.957 -10.368 1.00 0.00 C ATOM 0 H MET A 47 -0.147 3.728 -8.686 1.00 0.00 H new ATOM 0 HA MET A 47 -1.346 4.077 -5.963 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.911 4.281 -8.568 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.454 4.699 -6.955 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.176 6.691 -6.887 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.013 6.111 -8.063 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.057 7.418 -11.285 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.850 7.535 -9.982 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.364 5.939 -10.579 1.00 0.00 H new ATOM 796 N ILE A 48 -1.959 1.658 -6.069 1.00 0.00 N ATOM 797 CA ILE A 48 -2.345 0.222 -6.139 1.00 0.00 C ATOM 798 C ILE A 48 -3.872 0.129 -6.060 1.00 0.00 C ATOM 799 O ILE A 48 -4.488 0.849 -5.305 1.00 0.00 O ATOM 800 CB ILE A 48 -1.720 -0.530 -4.960 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.297 -0.020 -4.724 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.676 -2.027 -5.270 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.176 -0.455 -3.335 1.00 0.00 C ATOM 0 H ILE A 48 -1.792 2.017 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.992 -0.221 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.321 -0.361 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.373 -0.413 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.270 1.067 -4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.231 -2.560 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.689 -2.394 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.077 -2.196 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.190 -0.092 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.489 -0.040 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.165 -1.543 -3.271 1.00 0.00 H new ATOM 815 N PRO A 49 -4.444 -0.744 -6.847 1.00 0.00 N ATOM 816 CA PRO A 49 -5.889 -0.917 -6.869 1.00 0.00 C ATOM 817 C PRO A 49 -6.378 -1.522 -5.551 1.00 0.00 C ATOM 818 O PRO A 49 -5.689 -2.293 -4.913 1.00 0.00 O ATOM 819 CB PRO A 49 -6.147 -1.864 -8.037 1.00 0.00 C ATOM 820 CG PRO A 49 -4.791 -2.622 -8.202 1.00 0.00 C ATOM 821 CD PRO A 49 -3.692 -1.614 -7.762 1.00 0.00 C ATOM 0 HA PRO A 49 -6.420 0.028 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.966 -2.550 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.415 -1.320 -8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.767 -3.521 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.642 -2.938 -9.234 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.857 -2.108 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.279 -1.062 -8.607 1.00 0.00 H new ATOM 829 N LEU A 50 -7.568 -1.172 -5.141 1.00 0.00 N ATOM 830 CA LEU A 50 -8.115 -1.714 -3.865 1.00 0.00 C ATOM 831 C LEU A 50 -8.772 -3.073 -4.118 1.00 0.00 C ATOM 832 O LEU A 50 -9.772 -3.406 -3.515 1.00 0.00 O ATOM 833 CB LEU A 50 -9.163 -0.741 -3.317 1.00 0.00 C ATOM 834 CG LEU A 50 -8.908 -0.483 -1.831 1.00 0.00 C ATOM 835 CD1 LEU A 50 -9.184 -1.758 -1.033 1.00 0.00 C ATOM 836 CD2 LEU A 50 -7.455 -0.061 -1.627 1.00 0.00 C ATOM 0 H LEU A 50 -8.187 -0.531 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.305 -1.834 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.124 0.198 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.162 -1.153 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.569 0.311 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.002 -1.572 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.222 -2.058 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.525 -2.554 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.275 0.123 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.793 -0.854 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.258 0.850 -2.192 1.00 0.00 H new ATOM 848 N LYS A 51 -8.225 -3.863 -4.999 1.00 0.00 N ATOM 849 CA LYS A 51 -8.836 -5.195 -5.269 1.00 0.00 C ATOM 850 C LYS A 51 -7.870 -6.056 -6.085 1.00 0.00 C ATOM 851 O LYS A 51 -7.258 -5.598 -7.029 1.00 0.00 O ATOM 852 CB LYS A 51 -10.138 -5.008 -6.052 1.00 0.00 C ATOM 853 CG LYS A 51 -9.826 -4.423 -7.431 1.00 0.00 C ATOM 854 CD LYS A 51 -10.616 -3.126 -7.628 1.00 0.00 C ATOM 855 CE LYS A 51 -12.115 -3.418 -7.527 1.00 0.00 C ATOM 856 NZ LYS A 51 -12.755 -3.199 -8.855 1.00 0.00 N ATOM 0 H LYS A 51 -7.388 -3.647 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.045 -5.692 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.651 -5.964 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.810 -4.345 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.757 -4.227 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.085 -5.141 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.326 -2.394 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.385 -2.691 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.275 -4.445 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.573 -2.770 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.774 -3.397 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.614 -2.212 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.325 -3.835 -9.557 1.00 0.00 H new ATOM 870 N GLY A 52 -7.734 -7.306 -5.730 1.00 0.00 N ATOM 871 CA GLY A 52 -6.815 -8.201 -6.490 1.00 0.00 C ATOM 872 C GLY A 52 -5.418 -8.171 -5.867 1.00 0.00 C ATOM 873 O GLY A 52 -4.718 -9.164 -5.843 1.00 0.00 O ATOM 0 H GLY A 52 -8.219 -7.745 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.202 -9.220 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.764 -7.883 -7.531 1.00 0.00 H new ATOM 877 N SER A 53 -4.996 -7.034 -5.382 1.00 0.00 N ATOM 878 CA SER A 53 -3.632 -6.934 -4.784 1.00 0.00 C ATOM 879 C SER A 53 -3.338 -8.160 -3.920 1.00 0.00 C ATOM 880 O SER A 53 -4.231 -8.836 -3.450 1.00 0.00 O ATOM 881 CB SER A 53 -3.535 -5.668 -3.936 1.00 0.00 C ATOM 882 OG SER A 53 -4.178 -4.597 -4.617 1.00 0.00 O ATOM 0 H SER A 53 -5.537 -6.169 -5.374 1.00 0.00 H new ATOM 0 HA SER A 53 -2.897 -6.889 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.003 -5.830 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.490 -5.420 -3.749 1.00 0.00 H new ATOM 0 HG SER A 53 -3.647 -4.341 -5.400 1.00 0.00 H new ATOM 888 N THR A 54 -2.082 -8.449 -3.725 1.00 0.00 N ATOM 889 CA THR A 54 -1.694 -9.627 -2.909 1.00 0.00 C ATOM 890 C THR A 54 -0.791 -9.162 -1.761 1.00 0.00 C ATOM 891 O THR A 54 -0.350 -8.032 -1.729 1.00 0.00 O ATOM 892 CB THR A 54 -0.965 -10.639 -3.817 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.387 -11.955 -3.488 1.00 0.00 O ATOM 894 CG2 THR A 54 0.555 -10.539 -3.648 1.00 0.00 C ATOM 0 H THR A 54 -1.301 -7.912 -4.101 1.00 0.00 H new ATOM 0 HA THR A 54 -2.572 -10.111 -2.482 1.00 0.00 H new ATOM 0 HB THR A 54 -1.213 -10.410 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.927 -12.600 -4.065 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.042 -11.264 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.885 -9.534 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.820 -10.748 -2.612 1.00 0.00 H new ATOM 902 N LEU A 55 -0.512 -10.018 -0.823 1.00 0.00 N ATOM 903 CA LEU A 55 0.365 -9.615 0.312 1.00 0.00 C ATOM 904 C LEU A 55 1.444 -10.683 0.514 1.00 0.00 C ATOM 905 O LEU A 55 1.149 -11.846 0.699 1.00 0.00 O ATOM 906 CB LEU A 55 -0.483 -9.496 1.586 1.00 0.00 C ATOM 907 CG LEU A 55 0.231 -8.624 2.626 1.00 0.00 C ATOM 908 CD1 LEU A 55 -0.487 -8.756 3.971 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.682 -9.084 2.782 1.00 0.00 C ATOM 0 H LEU A 55 -0.852 -10.979 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 55 0.835 -8.656 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.454 -9.063 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.670 -10.487 2.000 1.00 0.00 H new ATOM 0 HG LEU A 55 0.216 -7.585 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.016 -8.138 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.521 -8.427 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.469 -9.797 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.184 -8.461 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.701 -10.123 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.196 -8.996 1.825 1.00 0.00 H new ATOM 921 N THR A 56 2.692 -10.300 0.481 1.00 0.00 N ATOM 922 CA THR A 56 3.780 -11.298 0.673 1.00 0.00 C ATOM 923 C THR A 56 4.554 -10.971 1.954 1.00 0.00 C ATOM 924 O THR A 56 5.033 -9.871 2.136 1.00 0.00 O ATOM 925 CB THR A 56 4.732 -11.254 -0.525 1.00 0.00 C ATOM 926 OG1 THR A 56 4.074 -11.781 -1.669 1.00 0.00 O ATOM 927 CG2 THR A 56 5.979 -12.086 -0.223 1.00 0.00 C ATOM 0 H THR A 56 3.003 -9.341 0.330 1.00 0.00 H new ATOM 0 HA THR A 56 3.347 -12.295 0.755 1.00 0.00 H new ATOM 0 HB THR A 56 5.027 -10.222 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.704 -11.046 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.655 -12.053 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.483 -11.681 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.689 -13.119 -0.030 1.00 0.00 H new ATOM 935 N SER A 57 4.676 -11.920 2.842 1.00 0.00 N ATOM 936 CA SER A 57 5.416 -11.668 4.111 1.00 0.00 C ATOM 937 C SER A 57 6.055 -12.974 4.602 1.00 0.00 C ATOM 938 O SER A 57 5.385 -13.980 4.726 1.00 0.00 O ATOM 939 CB SER A 57 4.444 -11.147 5.170 1.00 0.00 C ATOM 940 OG SER A 57 4.910 -9.896 5.660 1.00 0.00 O ATOM 0 H SER A 57 4.294 -12.861 2.743 1.00 0.00 H new ATOM 0 HA SER A 57 6.196 -10.927 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.448 -11.035 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.361 -11.863 5.988 1.00 0.00 H new ATOM 0 HG SER A 57 4.288 -9.558 6.338 1.00 0.00 H new ATOM 946 N PRO A 58 7.336 -12.913 4.869 1.00 0.00 N ATOM 947 CA PRO A 58 8.110 -11.692 4.708 1.00 0.00 C ATOM 948 C PRO A 58 8.355 -11.411 3.223 1.00 0.00 C ATOM 949 O PRO A 58 7.899 -12.136 2.361 1.00 0.00 O ATOM 950 CB PRO A 58 9.412 -11.967 5.421 1.00 0.00 C ATOM 951 CG PRO A 58 9.547 -13.521 5.359 1.00 0.00 C ATOM 952 CD PRO A 58 8.091 -14.073 5.357 1.00 0.00 C ATOM 0 HA PRO A 58 7.599 -10.818 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.250 -11.472 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.389 -11.608 6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.084 -13.831 4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.108 -13.899 6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.982 -14.938 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.769 -14.383 6.351 1.00 0.00 H new ATOM 960 N CYS A 59 9.068 -10.363 2.919 1.00 0.00 N ATOM 961 CA CYS A 59 9.337 -10.035 1.491 1.00 0.00 C ATOM 962 C CYS A 59 10.683 -9.323 1.372 1.00 0.00 C ATOM 963 O CYS A 59 11.321 -9.007 2.357 1.00 0.00 O ATOM 964 CB CYS A 59 8.240 -9.108 0.967 1.00 0.00 C ATOM 965 SG CYS A 59 8.768 -7.389 1.164 1.00 0.00 S ATOM 0 H CYS A 59 9.476 -9.719 3.597 1.00 0.00 H new ATOM 0 HA CYS A 59 9.355 -10.957 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.038 -9.321 -0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.311 -9.280 1.511 1.00 0.00 H new ATOM 0 HG CYS A 59 8.470 -6.718 0.091 1.00 0.00 H new ATOM 971 N GLN A 60 11.111 -9.055 0.170 1.00 0.00 N ATOM 972 CA GLN A 60 12.406 -8.348 -0.021 1.00 0.00 C ATOM 973 C GLN A 60 13.564 -9.236 0.436 1.00 0.00 C ATOM 974 O GLN A 60 13.498 -9.890 1.458 1.00 0.00 O ATOM 975 CB GLN A 60 12.399 -7.059 0.803 1.00 0.00 C ATOM 976 CG GLN A 60 13.440 -6.090 0.246 1.00 0.00 C ATOM 977 CD GLN A 60 13.874 -5.119 1.347 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.525 -5.574 2.381 1.00 0.00 O flip ATOM 979 NE2 GLN A 60 13.616 -3.935 1.262 1.00 0.00 N flip ATOM 0 H GLN A 60 10.618 -9.296 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 60 12.535 -8.115 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.410 -6.602 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.617 -7.282 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.303 -6.642 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.024 -5.538 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.107 -3.581 0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.909 -3.295 2.000 1.00 0.00 H new ATOM 988 N ASP A 61 14.630 -9.251 -0.314 1.00 0.00 N ATOM 989 CA ASP A 61 15.806 -10.079 0.069 1.00 0.00 C ATOM 990 C ASP A 61 17.061 -9.207 0.012 1.00 0.00 C ATOM 991 O ASP A 61 18.170 -9.696 -0.042 1.00 0.00 O ATOM 992 CB ASP A 61 15.952 -11.249 -0.907 1.00 0.00 C ATOM 993 CG ASP A 61 16.596 -12.435 -0.189 1.00 0.00 C ATOM 994 OD1 ASP A 61 17.257 -12.209 0.811 1.00 0.00 O ATOM 995 OD2 ASP A 61 16.417 -13.550 -0.650 1.00 0.00 O ATOM 0 H ASP A 61 14.737 -8.723 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 61 15.670 -10.471 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.975 -11.534 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.563 -10.951 -1.759 1.00 0.00 H new ATOM 1000 N PHE A 62 16.885 -7.913 0.032 1.00 0.00 N ATOM 1001 CA PHE A 62 18.059 -6.996 -0.015 1.00 0.00 C ATOM 1002 C PHE A 62 18.521 -6.725 1.415 1.00 0.00 C ATOM 1003 O PHE A 62 19.609 -7.095 1.809 1.00 0.00 O ATOM 1004 CB PHE A 62 17.662 -5.671 -0.681 1.00 0.00 C ATOM 1005 CG PHE A 62 16.485 -5.890 -1.604 1.00 0.00 C ATOM 1006 CD1 PHE A 62 16.466 -6.999 -2.462 1.00 0.00 C ATOM 1007 CD2 PHE A 62 15.412 -4.988 -1.603 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.376 -7.205 -3.317 1.00 0.00 C ATOM 1009 CE2 PHE A 62 14.322 -5.196 -2.459 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.304 -6.304 -3.316 1.00 0.00 C ATOM 0 H PHE A 62 15.977 -7.451 0.079 1.00 0.00 H new ATOM 0 HA PHE A 62 18.862 -7.455 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 62 17.406 -4.934 0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 62 18.506 -5.269 -1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.292 -7.695 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.425 -4.133 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.362 -8.059 -3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.495 -4.501 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.464 -6.463 -3.976 1.00 0.00 H new ATOM 1020 N GLY A 63 17.692 -6.093 2.198 1.00 0.00 N ATOM 1021 CA GLY A 63 18.072 -5.812 3.608 1.00 0.00 C ATOM 1022 C GLY A 63 17.601 -6.972 4.484 1.00 0.00 C ATOM 1023 O GLY A 63 18.108 -7.191 5.567 1.00 0.00 O ATOM 0 H GLY A 63 16.769 -5.760 1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.152 -5.690 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.619 -4.878 3.942 1.00 0.00 H new ATOM 1027 N LYS A 64 16.633 -7.717 4.014 1.00 0.00 N ATOM 1028 CA LYS A 64 16.115 -8.871 4.805 1.00 0.00 C ATOM 1029 C LYS A 64 16.030 -8.478 6.280 1.00 0.00 C ATOM 1030 O LYS A 64 16.221 -9.289 7.165 1.00 0.00 O ATOM 1031 CB LYS A 64 17.055 -10.067 4.636 1.00 0.00 C ATOM 1032 CG LYS A 64 18.449 -9.705 5.152 1.00 0.00 C ATOM 1033 CD LYS A 64 19.333 -10.954 5.161 1.00 0.00 C ATOM 1034 CE LYS A 64 20.780 -10.554 5.453 1.00 0.00 C ATOM 1035 NZ LYS A 64 21.320 -11.409 6.548 1.00 0.00 N ATOM 0 H LYS A 64 16.178 -7.574 3.112 1.00 0.00 H new ATOM 0 HA LYS A 64 15.122 -9.144 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.667 -10.927 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.109 -10.354 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.894 -8.937 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 64 18.379 -9.289 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.980 -11.657 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.272 -11.462 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.388 -10.667 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.827 -9.504 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.304 -11.138 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.745 -11.280 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.288 -12.407 6.257 1.00 0.00 H new ATOM 1049 N ARG A 65 15.747 -7.233 6.547 1.00 0.00 N ATOM 1050 CA ARG A 65 15.650 -6.770 7.959 1.00 0.00 C ATOM 1051 C ARG A 65 14.187 -6.766 8.397 1.00 0.00 C ATOM 1052 O ARG A 65 13.814 -6.092 9.337 1.00 0.00 O ATOM 1053 CB ARG A 65 16.209 -5.352 8.061 1.00 0.00 C ATOM 1054 CG ARG A 65 17.371 -5.330 9.056 1.00 0.00 C ATOM 1055 CD ARG A 65 17.184 -4.167 10.033 1.00 0.00 C ATOM 1056 NE ARG A 65 17.822 -2.943 9.473 1.00 0.00 N ATOM 1057 CZ ARG A 65 18.412 -2.092 10.268 1.00 0.00 C ATOM 1058 NH1 ARG A 65 19.170 -2.524 11.239 1.00 0.00 N ATOM 1059 NH2 ARG A 65 18.244 -0.811 10.092 1.00 0.00 N ATOM 0 H ARG A 65 15.578 -6.513 5.844 1.00 0.00 H new ATOM 0 HA ARG A 65 16.220 -7.441 8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.548 -5.013 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.427 -4.664 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.415 -6.273 9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.317 -5.224 8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.122 -3.990 10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.628 -4.413 10.998 1.00 0.00 H new ATOM 0 HE ARG A 65 17.798 -2.770 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.301 -3.526 11.376 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.631 -1.859 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.652 -0.474 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.705 -0.146 10.713 1.00 0.00 H new ATOM 1073 N MET A 66 13.352 -7.505 7.723 1.00 0.00 N ATOM 1074 CA MET A 66 11.915 -7.530 8.106 1.00 0.00 C ATOM 1075 C MET A 66 11.350 -6.111 8.024 1.00 0.00 C ATOM 1076 O MET A 66 12.051 -5.174 7.694 1.00 0.00 O ATOM 1077 CB MET A 66 11.775 -8.054 9.537 1.00 0.00 C ATOM 1078 CG MET A 66 12.307 -9.486 9.611 1.00 0.00 C ATOM 1079 SD MET A 66 13.066 -9.765 11.231 1.00 0.00 S ATOM 1080 CE MET A 66 11.588 -10.390 12.067 1.00 0.00 C ATOM 0 H MET A 66 13.602 -8.091 6.926 1.00 0.00 H new ATOM 0 HA MET A 66 11.366 -8.184 7.428 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.327 -7.414 10.225 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.730 -8.027 9.845 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.495 -10.196 9.451 1.00 0.00 H new ATOM 0 HG3 MET A 66 13.039 -9.655 8.821 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.830 -10.631 13.102 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.808 -9.629 12.044 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.235 -11.287 11.559 1.00 0.00 H new ATOM 1090 N PHE A 67 10.088 -5.949 8.316 1.00 0.00 N ATOM 1091 CA PHE A 67 9.461 -4.595 8.255 1.00 0.00 C ATOM 1092 C PHE A 67 9.090 -4.256 6.806 1.00 0.00 C ATOM 1093 O PHE A 67 8.352 -3.325 6.551 1.00 0.00 O ATOM 1094 CB PHE A 67 10.434 -3.540 8.788 1.00 0.00 C ATOM 1095 CG PHE A 67 11.145 -4.072 10.010 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.504 -4.989 10.854 1.00 0.00 C ATOM 1097 CD2 PHE A 67 12.447 -3.644 10.302 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.166 -5.479 11.988 1.00 0.00 C ATOM 1099 CE2 PHE A 67 13.110 -4.134 11.435 1.00 0.00 C ATOM 1100 CZ PHE A 67 12.468 -5.051 12.279 1.00 0.00 C ATOM 0 H PHE A 67 9.459 -6.701 8.596 1.00 0.00 H new ATOM 0 HA PHE A 67 8.561 -4.599 8.870 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.160 -3.279 8.018 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.894 -2.627 9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.500 -5.318 10.631 1.00 0.00 H new ATOM 0 HD2 PHE A 67 12.940 -2.936 9.653 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.672 -6.187 12.638 1.00 0.00 H new ATOM 0 HE2 PHE A 67 14.114 -3.806 11.658 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.977 -5.428 13.154 1.00 0.00 H new ATOM 1110 N VAL A 68 9.589 -4.999 5.854 1.00 0.00 N ATOM 1111 CA VAL A 68 9.255 -4.707 4.433 1.00 0.00 C ATOM 1112 C VAL A 68 8.343 -5.814 3.885 1.00 0.00 C ATOM 1113 O VAL A 68 8.583 -6.988 4.088 1.00 0.00 O ATOM 1114 CB VAL A 68 10.557 -4.619 3.608 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.643 -5.495 4.241 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.313 -5.090 2.169 1.00 0.00 C ATOM 0 H VAL A 68 10.212 -5.793 6.000 1.00 0.00 H new ATOM 0 HA VAL A 68 8.730 -3.754 4.363 1.00 0.00 H new ATOM 0 HB VAL A 68 10.883 -3.579 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.557 -5.425 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.840 -5.153 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.306 -6.531 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.241 -5.021 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.969 -6.124 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.555 -4.460 1.703 1.00 0.00 H new ATOM 1126 N PHE A 69 7.303 -5.446 3.181 1.00 0.00 N ATOM 1127 CA PHE A 69 6.388 -6.481 2.612 1.00 0.00 C ATOM 1128 C PHE A 69 6.331 -6.333 1.090 1.00 0.00 C ATOM 1129 O PHE A 69 6.782 -5.349 0.535 1.00 0.00 O ATOM 1130 CB PHE A 69 4.980 -6.332 3.208 1.00 0.00 C ATOM 1131 CG PHE A 69 4.263 -5.149 2.593 1.00 0.00 C ATOM 1132 CD1 PHE A 69 3.804 -5.209 1.268 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.048 -3.993 3.353 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.134 -4.114 0.707 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.378 -2.898 2.790 1.00 0.00 C ATOM 1136 CZ PHE A 69 2.922 -2.958 1.467 1.00 0.00 C ATOM 0 H PHE A 69 7.049 -4.480 2.976 1.00 0.00 H new ATOM 0 HA PHE A 69 6.769 -7.471 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.407 -7.243 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.048 -6.201 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.967 -6.100 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.398 -3.945 4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.781 -4.162 -0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.213 -2.007 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.407 -2.113 1.034 1.00 0.00 H new ATOM 1146 N LYS A 70 5.787 -7.307 0.409 1.00 0.00 N ATOM 1147 CA LYS A 70 5.710 -7.224 -1.078 1.00 0.00 C ATOM 1148 C LYS A 70 4.278 -7.505 -1.543 1.00 0.00 C ATOM 1149 O LYS A 70 3.871 -8.642 -1.677 1.00 0.00 O ATOM 1150 CB LYS A 70 6.656 -8.257 -1.694 1.00 0.00 C ATOM 1151 CG LYS A 70 6.375 -8.384 -3.194 1.00 0.00 C ATOM 1152 CD LYS A 70 7.153 -9.572 -3.762 1.00 0.00 C ATOM 1153 CE LYS A 70 6.260 -10.814 -3.763 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.809 -11.820 -4.716 1.00 0.00 N ATOM 0 H LYS A 70 5.394 -8.155 0.818 1.00 0.00 H new ATOM 0 HA LYS A 70 6.000 -6.223 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.692 -7.958 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.523 -9.223 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.307 -8.521 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.665 -7.467 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.487 -9.350 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.046 -9.754 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.207 -11.238 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.243 -10.544 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.202 -12.665 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.837 -11.413 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.771 -12.086 -4.424 1.00 0.00 H new ATOM 1168 N ILE A 71 3.516 -6.479 -1.805 1.00 0.00 N ATOM 1169 CA ILE A 71 2.117 -6.688 -2.278 1.00 0.00 C ATOM 1170 C ILE A 71 2.123 -6.739 -3.810 1.00 0.00 C ATOM 1171 O ILE A 71 3.009 -6.214 -4.451 1.00 0.00 O ATOM 1172 CB ILE A 71 1.241 -5.528 -1.785 1.00 0.00 C ATOM 1173 CG1 ILE A 71 0.831 -5.783 -0.332 1.00 0.00 C ATOM 1174 CG2 ILE A 71 -0.015 -5.395 -2.652 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.178 -4.525 0.243 1.00 0.00 C ATOM 0 H ILE A 71 3.801 -5.504 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 71 1.715 -7.623 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 71 1.813 -4.603 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.137 -6.622 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.704 -6.056 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.623 -4.567 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.275 -5.204 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.591 -6.319 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.114 -4.707 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.887 -3.698 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.705 -4.273 -0.344 1.00 0.00 H new ATOM 1187 N THR A 72 1.153 -7.377 -4.399 1.00 0.00 N ATOM 1188 CA THR A 72 1.124 -7.466 -5.890 1.00 0.00 C ATOM 1189 C THR A 72 -0.285 -7.167 -6.406 1.00 0.00 C ATOM 1190 O THR A 72 -1.207 -7.924 -6.191 1.00 0.00 O ATOM 1191 CB THR A 72 1.527 -8.877 -6.320 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.891 -9.106 -5.996 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.323 -9.022 -7.826 1.00 0.00 C ATOM 0 H THR A 72 0.381 -7.840 -3.919 1.00 0.00 H new ATOM 0 HA THR A 72 1.820 -6.737 -6.304 1.00 0.00 H new ATOM 0 HB THR A 72 0.910 -9.608 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.434 -9.055 -6.810 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.609 -10.027 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.274 -8.852 -8.069 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.940 -8.291 -8.349 1.00 0.00 H new ATOM 1201 N THR A 73 -0.459 -6.069 -7.089 1.00 0.00 N ATOM 1202 CA THR A 73 -1.814 -5.723 -7.609 1.00 0.00 C ATOM 1203 C THR A 73 -2.363 -6.864 -8.477 1.00 0.00 C ATOM 1204 O THR A 73 -1.865 -7.155 -9.546 1.00 0.00 O ATOM 1205 CB THR A 73 -1.741 -4.437 -8.437 1.00 0.00 C ATOM 1206 OG1 THR A 73 -2.987 -4.226 -9.086 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.637 -4.559 -9.483 1.00 0.00 C ATOM 0 H THR A 73 0.276 -5.397 -7.310 1.00 0.00 H new ATOM 0 HA THR A 73 -2.483 -5.572 -6.762 1.00 0.00 H new ATOM 0 HB THR A 73 -1.521 -3.595 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.840 -3.749 -9.929 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.589 -3.642 -10.070 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.319 -4.722 -8.986 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.851 -5.400 -10.142 1.00 0.00 H new ATOM 1215 N THR A 74 -3.409 -7.490 -8.016 1.00 0.00 N ATOM 1216 CA THR A 74 -4.054 -8.604 -8.777 1.00 0.00 C ATOM 1217 C THR A 74 -3.004 -9.501 -9.453 1.00 0.00 C ATOM 1218 O THR A 74 -3.280 -10.149 -10.443 1.00 0.00 O ATOM 1219 CB THR A 74 -5.014 -8.011 -9.824 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.040 -8.831 -10.983 1.00 0.00 O ATOM 1221 CG2 THR A 74 -4.562 -6.602 -10.207 1.00 0.00 C ATOM 0 H THR A 74 -3.856 -7.274 -7.125 1.00 0.00 H new ATOM 0 HA THR A 74 -4.614 -9.228 -8.080 1.00 0.00 H new ATOM 0 HB THR A 74 -6.015 -7.966 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.747 -9.737 -10.750 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.246 -6.189 -10.948 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.561 -5.967 -9.321 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.556 -6.644 -10.625 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.810 -9.560 -8.923 1.00 0.00 N ATOM 1230 CA LYS A 75 -0.759 -10.430 -9.530 1.00 0.00 C ATOM 1231 C LYS A 75 -0.136 -9.707 -10.718 1.00 0.00 C ATOM 1232 O LYS A 75 0.009 -10.261 -11.789 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.381 -11.750 -10.000 1.00 0.00 C ATOM 1234 CG LYS A 75 -0.287 -12.811 -10.133 1.00 0.00 C ATOM 1235 CD LYS A 75 0.013 -13.414 -8.759 1.00 0.00 C ATOM 1236 CE LYS A 75 0.099 -14.937 -8.879 1.00 0.00 C ATOM 1237 NZ LYS A 75 -1.274 -15.505 -8.995 1.00 0.00 N ATOM 0 H LYS A 75 -1.517 -9.042 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 75 0.008 -10.645 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.139 -12.081 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.882 -11.607 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.606 -13.593 -10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.616 -12.366 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.951 -13.015 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.768 -13.138 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.692 -15.211 -9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.604 -15.353 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.228 -16.541 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.870 -15.131 -8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.683 -15.239 -9.914 1.00 0.00 H new ATOM 1251 N GLN A 76 0.229 -8.468 -10.540 1.00 0.00 N ATOM 1252 CA GLN A 76 0.835 -7.717 -11.666 1.00 0.00 C ATOM 1253 C GLN A 76 2.157 -7.093 -11.232 1.00 0.00 C ATOM 1254 O GLN A 76 3.222 -7.631 -11.460 1.00 0.00 O ATOM 1255 CB GLN A 76 -0.126 -6.615 -12.119 1.00 0.00 C ATOM 1256 CG GLN A 76 -0.631 -6.927 -13.528 1.00 0.00 C ATOM 1257 CD GLN A 76 -0.480 -5.688 -14.413 1.00 0.00 C ATOM 1258 OE1 GLN A 76 0.046 -4.680 -13.982 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -0.921 -5.719 -15.641 1.00 0.00 N ATOM 0 H GLN A 76 0.133 -7.948 -9.668 1.00 0.00 H new ATOM 0 HA GLN A 76 1.022 -8.404 -12.491 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.966 -6.543 -11.428 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.380 -5.649 -12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.068 -7.759 -13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.676 -7.235 -13.491 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.362 -6.564 -16.003 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.824 -4.898 -16.238 1.00 0.00 H new ATOM 1268 N GLN A 77 2.088 -5.957 -10.617 1.00 0.00 N ATOM 1269 CA GLN A 77 3.327 -5.267 -10.164 1.00 0.00 C ATOM 1270 C GLN A 77 3.519 -5.498 -8.665 1.00 0.00 C ATOM 1271 O GLN A 77 2.619 -5.294 -7.876 1.00 0.00 O ATOM 1272 CB GLN A 77 3.203 -3.765 -10.439 1.00 0.00 C ATOM 1273 CG GLN A 77 4.309 -3.012 -9.694 1.00 0.00 C ATOM 1274 CD GLN A 77 4.606 -1.696 -10.414 1.00 0.00 C ATOM 1275 OE1 GLN A 77 5.444 -1.647 -11.294 1.00 0.00 O ATOM 1276 NE2 GLN A 77 3.953 -0.619 -10.076 1.00 0.00 N ATOM 0 H GLN A 77 1.219 -5.467 -10.404 1.00 0.00 H new ATOM 0 HA GLN A 77 4.185 -5.666 -10.705 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.277 -3.574 -11.510 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.225 -3.406 -10.118 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.001 -2.815 -8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.210 -3.623 -9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.250 -0.659 -9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.145 0.264 -10.550 1.00 0.00 H new ATOM 1285 N ASP A 78 4.686 -5.918 -8.266 1.00 0.00 N ATOM 1286 CA ASP A 78 4.931 -6.156 -6.818 1.00 0.00 C ATOM 1287 C ASP A 78 5.187 -4.819 -6.123 1.00 0.00 C ATOM 1288 O ASP A 78 5.325 -3.794 -6.761 1.00 0.00 O ATOM 1289 CB ASP A 78 6.153 -7.062 -6.648 1.00 0.00 C ATOM 1290 CG ASP A 78 6.059 -8.235 -7.624 1.00 0.00 C ATOM 1291 OD1 ASP A 78 6.509 -8.083 -8.748 1.00 0.00 O ATOM 1292 OD2 ASP A 78 5.539 -9.266 -7.232 1.00 0.00 O ATOM 0 H ASP A 78 5.479 -6.106 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 78 4.059 -6.638 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.067 -6.496 -6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.206 -7.431 -5.624 1.00 0.00 H new ATOM 1297 N HIS A 79 5.245 -4.819 -4.822 1.00 0.00 N ATOM 1298 CA HIS A 79 5.487 -3.545 -4.092 1.00 0.00 C ATOM 1299 C HIS A 79 6.311 -3.824 -2.835 1.00 0.00 C ATOM 1300 O HIS A 79 5.783 -4.182 -1.800 1.00 0.00 O ATOM 1301 CB HIS A 79 4.146 -2.924 -3.696 1.00 0.00 C ATOM 1302 CG HIS A 79 3.540 -2.238 -4.890 1.00 0.00 C ATOM 1303 ND1 HIS A 79 3.897 -0.952 -5.262 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.602 -2.647 -5.806 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.185 -0.635 -6.359 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.380 -1.633 -6.732 1.00 0.00 N ATOM 0 H HIS A 79 5.136 -5.645 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 79 6.032 -2.855 -4.736 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.471 -3.695 -3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.289 -2.209 -2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.112 -3.609 -5.807 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.256 0.311 -6.875 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.740 -1.648 -7.526 1.00 0.00 H new ATOM 1314 N PHE A 80 7.602 -3.655 -2.917 1.00 0.00 N ATOM 1315 CA PHE A 80 8.463 -3.899 -1.727 1.00 0.00 C ATOM 1316 C PHE A 80 8.658 -2.581 -0.979 1.00 0.00 C ATOM 1317 O PHE A 80 9.461 -1.754 -1.364 1.00 0.00 O ATOM 1318 CB PHE A 80 9.826 -4.431 -2.178 1.00 0.00 C ATOM 1319 CG PHE A 80 9.633 -5.584 -3.132 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.311 -5.341 -4.474 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.781 -6.901 -2.675 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.135 -6.413 -5.358 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.606 -7.974 -3.560 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.283 -7.730 -4.902 1.00 0.00 C ATOM 0 H PHE A 80 8.098 -3.358 -3.758 1.00 0.00 H new ATOM 0 HA PHE A 80 7.988 -4.632 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.395 -3.637 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.405 -4.755 -1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.198 -4.326 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.030 -7.089 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.885 -6.225 -6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.720 -8.989 -3.208 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.148 -8.556 -5.584 1.00 0.00 H new ATOM 1334 N PHE A 81 7.928 -2.370 0.081 1.00 0.00 N ATOM 1335 CA PHE A 81 8.080 -1.094 0.834 1.00 0.00 C ATOM 1336 C PHE A 81 8.613 -1.393 2.240 1.00 0.00 C ATOM 1337 O PHE A 81 8.488 -2.494 2.740 1.00 0.00 O ATOM 1338 CB PHE A 81 6.714 -0.360 0.855 1.00 0.00 C ATOM 1339 CG PHE A 81 6.038 -0.379 2.213 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.992 -1.545 2.994 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.427 0.793 2.680 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.348 -1.529 4.240 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.783 0.805 3.919 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.745 -0.352 4.702 1.00 0.00 C ATOM 0 H PHE A 81 7.238 -3.021 0.456 1.00 0.00 H new ATOM 0 HA PHE A 81 8.802 -0.436 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.862 0.675 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.052 -0.820 0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.452 -2.454 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.454 1.690 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.317 -2.424 4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.313 1.711 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.251 -0.339 5.662 1.00 0.00 H new ATOM 1354 N GLN A 82 9.221 -0.430 2.876 1.00 0.00 N ATOM 1355 CA GLN A 82 9.766 -0.669 4.240 1.00 0.00 C ATOM 1356 C GLN A 82 9.117 0.311 5.213 1.00 0.00 C ATOM 1357 O GLN A 82 9.089 1.504 4.981 1.00 0.00 O ATOM 1358 CB GLN A 82 11.281 -0.457 4.238 1.00 0.00 C ATOM 1359 CG GLN A 82 11.896 -1.163 5.448 1.00 0.00 C ATOM 1360 CD GLN A 82 13.130 -1.952 5.006 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.019 -2.918 4.277 1.00 0.00 O ATOM 1362 NE2 GLN A 82 14.310 -1.578 5.418 1.00 0.00 N ATOM 0 H GLN A 82 9.363 0.511 2.510 1.00 0.00 H new ATOM 0 HA GLN A 82 9.550 -1.693 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.713 -0.849 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.510 0.608 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.172 -0.432 6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.166 -1.833 5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.403 -0.767 6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.139 -2.096 5.128 1.00 0.00 H new ATOM 1371 N ALA A 83 8.590 -0.181 6.300 1.00 0.00 N ATOM 1372 CA ALA A 83 7.933 0.725 7.281 1.00 0.00 C ATOM 1373 C ALA A 83 8.967 1.237 8.284 1.00 0.00 C ATOM 1374 O ALA A 83 8.686 2.103 9.088 1.00 0.00 O ATOM 1375 CB ALA A 83 6.841 -0.044 8.027 1.00 0.00 C ATOM 0 H ALA A 83 8.586 -1.170 6.550 1.00 0.00 H new ATOM 0 HA ALA A 83 7.493 1.571 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.358 0.617 8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.101 -0.408 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.285 -0.889 8.552 1.00 0.00 H new ATOM 1381 N ALA A 84 10.164 0.718 8.243 1.00 0.00 N ATOM 1382 CA ALA A 84 11.204 1.194 9.197 1.00 0.00 C ATOM 1383 C ALA A 84 10.770 0.875 10.620 1.00 0.00 C ATOM 1384 O ALA A 84 11.328 1.379 11.575 1.00 0.00 O ATOM 1385 CB ALA A 84 11.345 2.707 9.070 1.00 0.00 C ATOM 0 H ALA A 84 10.465 -0.010 7.595 1.00 0.00 H new ATOM 0 HA ALA A 84 12.150 0.702 8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.105 3.061 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.639 2.961 8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.392 3.182 9.301 1.00 0.00 H new ATOM 1391 N PHE A 85 9.765 0.068 10.777 1.00 0.00 N ATOM 1392 CA PHE A 85 9.291 -0.243 12.145 1.00 0.00 C ATOM 1393 C PHE A 85 8.650 -1.629 12.168 1.00 0.00 C ATOM 1394 O PHE A 85 8.295 -2.179 11.145 1.00 0.00 O ATOM 1395 CB PHE A 85 8.253 0.803 12.540 1.00 0.00 C ATOM 1396 CG PHE A 85 8.769 1.643 13.682 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.369 1.031 14.790 1.00 0.00 C ATOM 1398 CD2 PHE A 85 8.642 3.037 13.632 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.843 1.816 15.850 1.00 0.00 C ATOM 1400 CE2 PHE A 85 9.116 3.821 14.691 1.00 0.00 C ATOM 1401 CZ PHE A 85 9.717 3.212 15.799 1.00 0.00 C ATOM 0 H PHE A 85 9.254 -0.387 10.021 1.00 0.00 H new ATOM 0 HA PHE A 85 10.128 -0.230 12.843 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.024 1.439 11.685 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.324 0.313 12.830 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.466 -0.044 14.827 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.179 3.507 12.777 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.305 1.346 16.706 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.018 4.896 14.653 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.084 3.817 16.615 1.00 0.00 H new ATOM 1411 N LEU A 86 8.486 -2.186 13.331 1.00 0.00 N ATOM 1412 CA LEU A 86 7.852 -3.529 13.433 1.00 0.00 C ATOM 1413 C LEU A 86 6.355 -3.337 13.665 1.00 0.00 C ATOM 1414 O LEU A 86 5.528 -3.953 13.022 1.00 0.00 O ATOM 1415 CB LEU A 86 8.475 -4.302 14.610 1.00 0.00 C ATOM 1416 CG LEU A 86 7.461 -5.298 15.191 1.00 0.00 C ATOM 1417 CD1 LEU A 86 8.196 -6.411 15.931 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.537 -4.572 16.171 1.00 0.00 C ATOM 0 H LEU A 86 8.764 -1.769 14.220 1.00 0.00 H new ATOM 0 HA LEU A 86 8.014 -4.097 12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.365 -4.834 14.274 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.794 -3.604 15.384 1.00 0.00 H new ATOM 0 HG LEU A 86 6.875 -5.726 14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.472 -7.115 16.341 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.858 -6.933 15.239 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.784 -5.982 16.742 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.817 -5.279 16.584 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.129 -4.143 16.980 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.006 -3.776 15.649 1.00 0.00 H new ATOM 1430 N GLU A 87 6.005 -2.490 14.591 1.00 0.00 N ATOM 1431 CA GLU A 87 4.567 -2.261 14.879 1.00 0.00 C ATOM 1432 C GLU A 87 3.927 -1.525 13.701 1.00 0.00 C ATOM 1433 O GLU A 87 2.845 -1.857 13.259 1.00 0.00 O ATOM 1434 CB GLU A 87 4.430 -1.413 16.145 1.00 0.00 C ATOM 1435 CG GLU A 87 3.225 -1.895 16.956 1.00 0.00 C ATOM 1436 CD GLU A 87 3.691 -2.874 18.033 1.00 0.00 C ATOM 1437 OE1 GLU A 87 4.207 -2.416 19.039 1.00 0.00 O ATOM 1438 OE2 GLU A 87 3.526 -4.067 17.834 1.00 0.00 O ATOM 0 H GLU A 87 6.654 -1.947 15.160 1.00 0.00 H new ATOM 0 HA GLU A 87 4.067 -3.218 15.028 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.338 -1.486 16.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.307 -0.363 15.880 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.720 -1.046 17.416 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.502 -2.378 16.299 1.00 0.00 H new ATOM 1445 N GLU A 88 4.590 -0.522 13.191 1.00 0.00 N ATOM 1446 CA GLU A 88 4.025 0.242 12.043 1.00 0.00 C ATOM 1447 C GLU A 88 4.013 -0.640 10.793 1.00 0.00 C ATOM 1448 O GLU A 88 3.128 -0.547 9.968 1.00 0.00 O ATOM 1449 CB GLU A 88 4.886 1.481 11.783 1.00 0.00 C ATOM 1450 CG GLU A 88 4.059 2.535 11.045 1.00 0.00 C ATOM 1451 CD GLU A 88 4.457 3.929 11.531 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.159 4.009 12.526 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.053 4.892 10.902 1.00 0.00 O ATOM 0 H GLU A 88 5.500 -0.199 13.521 1.00 0.00 H new ATOM 0 HA GLU A 88 3.006 0.548 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.252 1.886 12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.761 1.211 11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.222 2.453 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.996 2.367 11.220 1.00 0.00 H new ATOM 1460 N ARG A 89 4.992 -1.491 10.644 1.00 0.00 N ATOM 1461 CA ARG A 89 5.034 -2.374 9.442 1.00 0.00 C ATOM 1462 C ARG A 89 3.804 -3.287 9.423 1.00 0.00 C ATOM 1463 O ARG A 89 3.011 -3.250 8.508 1.00 0.00 O ATOM 1464 CB ARG A 89 6.307 -3.227 9.482 1.00 0.00 C ATOM 1465 CG ARG A 89 6.173 -4.408 8.513 1.00 0.00 C ATOM 1466 CD ARG A 89 6.104 -5.713 9.307 1.00 0.00 C ATOM 1467 NE ARG A 89 6.863 -6.774 8.589 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.688 -8.028 8.903 1.00 0.00 C ATOM 1469 NH1 ARG A 89 5.498 -8.559 8.831 1.00 0.00 N ATOM 1470 NH2 ARG A 89 7.703 -8.751 9.291 1.00 0.00 N ATOM 0 H ARG A 89 5.763 -1.613 11.301 1.00 0.00 H new ATOM 0 HA ARG A 89 5.035 -1.758 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.171 -2.620 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.478 -3.593 10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.277 -4.293 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.022 -4.430 7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.519 -5.566 10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.065 -6.018 9.435 1.00 0.00 H new ATOM 0 HE ARG A 89 7.520 -6.520 7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.705 -7.993 8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.361 -9.540 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.633 -8.335 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.566 -9.732 9.537 1.00 0.00 H new ATOM 1484 N ASP A 90 3.652 -4.121 10.415 1.00 0.00 N ATOM 1485 CA ASP A 90 2.486 -5.051 10.439 1.00 0.00 C ATOM 1486 C ASP A 90 1.179 -4.266 10.291 1.00 0.00 C ATOM 1487 O ASP A 90 0.250 -4.711 9.647 1.00 0.00 O ATOM 1488 CB ASP A 90 2.470 -5.814 11.765 1.00 0.00 C ATOM 1489 CG ASP A 90 2.611 -7.313 11.494 1.00 0.00 C ATOM 1490 OD1 ASP A 90 3.102 -7.659 10.433 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.227 -8.088 12.354 1.00 0.00 O ATOM 0 H ASP A 90 4.285 -4.199 11.211 1.00 0.00 H new ATOM 0 HA ASP A 90 2.576 -5.752 9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.284 -5.471 12.404 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.541 -5.616 12.299 1.00 0.00 H new ATOM 1496 N ALA A 91 1.093 -3.109 10.885 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.162 -2.311 10.779 1.00 0.00 C ATOM 1498 C ALA A 91 -0.296 -1.742 9.364 1.00 0.00 C ATOM 1499 O ALA A 91 -1.385 -1.481 8.889 1.00 0.00 O ATOM 1500 CB ALA A 91 -0.120 -1.160 11.786 1.00 0.00 C ATOM 0 H ALA A 91 1.835 -2.681 11.439 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.016 -2.954 10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.037 -0.576 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.029 -1.562 12.795 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.736 -0.521 11.572 1.00 0.00 H new ATOM 1506 N TRP A 92 0.801 -1.540 8.690 1.00 0.00 N ATOM 1507 CA TRP A 92 0.743 -0.979 7.311 1.00 0.00 C ATOM 1508 C TRP A 92 0.385 -2.082 6.309 1.00 0.00 C ATOM 1509 O TRP A 92 -0.246 -1.835 5.299 1.00 0.00 O ATOM 1510 CB TRP A 92 2.111 -0.398 6.951 1.00 0.00 C ATOM 1511 CG TRP A 92 2.008 1.088 6.831 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.485 1.974 7.734 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.399 1.874 5.766 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.209 3.255 7.292 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.541 3.245 6.083 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.745 1.532 4.567 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.049 4.243 5.241 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.249 2.536 3.716 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.402 3.888 4.054 1.00 0.00 C ATOM 0 H TRP A 92 1.739 -1.740 9.036 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.018 -0.200 7.271 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.842 -0.662 7.715 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.463 -0.825 6.012 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.998 1.722 8.651 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.467 4.103 7.797 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.623 0.493 4.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.167 5.284 5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.252 2.264 2.798 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.020 4.655 3.397 1.00 0.00 H new ATOM 1530 N VAL A 93 0.786 -3.295 6.575 1.00 0.00 N ATOM 1531 CA VAL A 93 0.475 -4.406 5.634 1.00 0.00 C ATOM 1532 C VAL A 93 -0.936 -4.934 5.912 1.00 0.00 C ATOM 1533 O VAL A 93 -1.628 -5.384 5.021 1.00 0.00 O ATOM 1534 CB VAL A 93 1.511 -5.528 5.813 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.095 -6.467 6.949 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.621 -6.327 4.516 1.00 0.00 C ATOM 0 H VAL A 93 1.316 -3.564 7.404 1.00 0.00 H new ATOM 0 HA VAL A 93 0.517 -4.044 4.607 1.00 0.00 H new ATOM 0 HB VAL A 93 2.474 -5.080 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.840 -7.255 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.021 -5.903 7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.128 -6.913 6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.355 -7.123 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.651 -6.762 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.935 -5.667 3.708 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.366 -4.879 7.142 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.729 -5.374 7.474 1.00 0.00 C ATOM 1548 C ARG A 94 -3.760 -4.326 7.055 1.00 0.00 C ATOM 1549 O ARG A 94 -4.903 -4.638 6.792 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.832 -5.625 8.980 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.862 -4.288 9.721 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.106 -4.537 11.211 1.00 0.00 C ATOM 1553 NE ARG A 94 -4.296 -5.418 11.378 1.00 0.00 N ATOM 1554 CZ ARG A 94 -5.486 -4.895 11.488 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -5.693 -3.911 12.320 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -6.471 -5.355 10.765 1.00 0.00 N ATOM 0 H ARG A 94 -0.832 -4.513 7.930 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.919 -6.306 6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.733 -6.196 9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.985 -6.221 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.919 -3.760 9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.648 -3.652 9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.229 -5.002 11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.265 -3.591 11.728 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.180 -6.431 11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.924 -3.550 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.624 -3.503 12.405 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.310 -6.124 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.401 -4.946 10.851 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.365 -3.083 6.986 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.325 -2.019 6.577 1.00 0.00 C ATOM 1572 C ASP A 95 -4.426 -1.990 5.050 1.00 0.00 C ATOM 1573 O ASP A 95 -5.498 -1.872 4.491 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.831 -0.661 7.080 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.908 -0.019 7.957 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.958 0.306 7.428 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.664 0.135 9.141 1.00 0.00 O ATOM 0 H ASP A 95 -2.421 -2.759 7.195 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.305 -2.228 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.910 -0.785 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.599 -0.011 6.236 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.317 -2.101 4.369 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.355 -2.083 2.879 1.00 0.00 C ATOM 1584 C ILE A 96 -3.953 -3.397 2.376 1.00 0.00 C ATOM 1585 O ILE A 96 -4.687 -3.428 1.407 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.934 -1.931 2.331 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.394 -0.543 2.687 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.956 -2.096 0.810 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.036 -0.328 2.013 1.00 0.00 C ATOM 0 H ILE A 96 -2.389 -2.203 4.779 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.965 -1.246 2.540 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.291 -2.693 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.097 0.225 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.293 -0.448 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.945 -1.988 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.340 -3.084 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.599 -1.333 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.345 0.661 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.666 -1.087 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.150 -0.404 0.932 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.644 -4.485 3.027 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.191 -5.800 2.588 1.00 0.00 C ATOM 1603 C ASN A 97 -5.629 -5.947 3.087 1.00 0.00 C ATOM 1604 O ASN A 97 -6.461 -6.541 2.434 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.333 -6.928 3.162 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.755 -8.258 2.534 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -3.967 -8.319 1.248 1.00 0.00 O flip ATOM 1608 ND2 ASN A 97 -3.893 -9.251 3.221 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.036 -4.520 3.845 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.178 -5.853 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.279 -6.736 2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.448 -6.972 4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.727 -9.203 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.175 -10.133 2.792 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.930 -5.410 4.238 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.318 -5.522 4.767 1.00 0.00 C ATOM 1617 C LYS A 98 -8.260 -4.711 3.878 1.00 0.00 C ATOM 1618 O LYS A 98 -9.368 -5.121 3.593 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.372 -4.977 6.196 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.821 -4.967 6.685 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.393 -3.554 6.563 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.886 -3.084 7.933 1.00 0.00 C ATOM 1623 NZ LYS A 98 -10.263 -1.643 7.858 1.00 0.00 N ATOM 0 H LYS A 98 -5.277 -4.900 4.833 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.623 -6.569 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.759 -5.593 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.960 -3.969 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.419 -5.664 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.868 -5.301 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.630 -2.873 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.214 -3.543 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.743 -3.679 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.107 -3.229 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.598 -1.323 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.434 -1.081 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.020 -1.518 7.156 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.826 -3.563 3.433 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.695 -2.729 2.558 1.00 0.00 C ATOM 1639 C ALA A 99 -8.856 -3.423 1.206 1.00 0.00 C ATOM 1640 O ALA A 99 -9.946 -3.553 0.689 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.050 -1.357 2.355 1.00 0.00 C ATOM 0 H ALA A 99 -6.908 -3.168 3.638 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.672 -2.602 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.687 -0.747 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.929 -0.865 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.074 -1.480 1.886 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.775 -3.873 0.629 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.865 -4.562 -0.687 1.00 0.00 C ATOM 1649 C ILE A 100 -8.590 -5.899 -0.509 1.00 0.00 C ATOM 1650 O ILE A 100 -9.120 -6.458 -1.447 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.455 -4.805 -1.231 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.868 -3.481 -1.728 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.514 -5.800 -2.391 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.374 -3.433 -1.405 1.00 0.00 C ATOM 0 H ILE A 100 -6.834 -3.793 1.013 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.419 -3.941 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.827 -5.211 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.022 -3.383 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.380 -2.643 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.508 -5.970 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.933 -6.743 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.143 -5.396 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.955 -2.491 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.232 -3.511 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.868 -4.263 -1.899 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.625 -6.411 0.692 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.326 -7.706 0.927 1.00 0.00 C ATOM 1668 C LYS A 101 -10.788 -7.434 1.277 1.00 0.00 C ATOM 1669 O LYS A 101 -11.609 -8.329 1.305 1.00 0.00 O ATOM 1670 CB LYS A 101 -8.654 -8.458 2.079 1.00 0.00 C ATOM 1671 CG LYS A 101 -7.645 -9.460 1.514 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.309 -10.832 1.378 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.285 -11.928 1.681 1.00 0.00 C ATOM 1674 NZ LYS A 101 -7.189 -12.121 3.155 1.00 0.00 N ATOM 0 H LYS A 101 -8.200 -5.990 1.518 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.273 -8.314 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.151 -7.754 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.404 -8.978 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.285 -9.121 0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.777 -9.528 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.153 -10.909 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.705 -10.958 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.580 -12.860 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.311 -11.654 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.493 -12.866 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.889 -11.232 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.118 -12.401 3.530 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.119 -6.201 1.535 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.529 -5.860 1.874 1.00 0.00 C ATOM 1690 C CYS A 102 -13.256 -5.438 0.597 1.00 0.00 C ATOM 1691 O CYS A 102 -14.409 -5.760 0.389 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.550 -4.709 2.882 1.00 0.00 C ATOM 1693 SG CYS A 102 -12.176 -5.348 4.533 1.00 0.00 S ATOM 0 H CYS A 102 -10.473 -5.412 1.526 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.025 -6.726 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.820 -3.951 2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -13.528 -4.227 2.880 1.00 0.00 H new ATOM 0 HG CYS A 102 -10.893 -5.522 4.651 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.582 -4.727 -0.265 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.218 -4.290 -1.538 1.00 0.00 C ATOM 1701 C ILE A 103 -13.468 -5.524 -2.414 1.00 0.00 C ATOM 1702 O ILE A 103 -14.394 -5.562 -3.200 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.279 -3.305 -2.256 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.529 -1.885 -1.739 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.524 -3.333 -3.769 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.887 -1.389 -2.242 1.00 0.00 C ATOM 0 H ILE A 103 -11.614 -4.429 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.168 -3.793 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.250 -3.601 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.507 -1.874 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.737 -1.218 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.851 -2.630 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.339 -4.338 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.556 -3.051 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.064 -0.379 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.892 -1.384 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.673 -2.051 -1.879 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.650 -6.534 -2.284 1.00 0.00 N ATOM 1719 CA GLU A 104 -12.845 -7.759 -3.107 1.00 0.00 C ATOM 1720 C GLU A 104 -14.135 -8.453 -2.675 1.00 0.00 C ATOM 1721 O GLU A 104 -14.668 -9.296 -3.371 1.00 0.00 O ATOM 1722 CB GLU A 104 -11.661 -8.708 -2.911 1.00 0.00 C ATOM 1723 CG GLU A 104 -10.487 -8.244 -3.775 1.00 0.00 C ATOM 1724 CD GLU A 104 -9.980 -9.415 -4.617 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -9.272 -10.248 -4.074 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -10.308 -9.461 -5.791 1.00 0.00 O ATOM 0 H GLU A 104 -11.856 -6.562 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.911 -7.484 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.368 -8.729 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.947 -9.724 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.800 -7.425 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.685 -7.862 -3.143 1.00 0.00 H new ATOM 1733 N GLY A 105 -14.641 -8.094 -1.533 1.00 0.00 N ATOM 1734 CA GLY A 105 -15.904 -8.711 -1.043 1.00 0.00 C ATOM 1735 C GLY A 105 -17.012 -7.655 -1.042 1.00 0.00 C ATOM 1736 O GLY A 105 -18.127 -7.908 -0.629 1.00 0.00 O ATOM 0 H GLY A 105 -14.233 -7.395 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.185 -9.549 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.763 -9.108 -0.038 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.711 -6.472 -1.508 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.737 -5.396 -1.540 1.00 0.00 C ATOM 1742 C LEU A 106 -18.197 -5.187 -2.981 1.00 0.00 C ATOM 1743 O LEU A 106 -18.083 -4.113 -3.537 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.134 -4.100 -1.000 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.647 -3.852 0.418 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -17.145 -2.495 0.915 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -19.178 -3.859 0.413 1.00 0.00 C ATOM 0 H LEU A 106 -15.795 -6.206 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.589 -5.680 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.046 -4.166 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.402 -3.264 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 106 -17.280 -4.637 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -17.512 -2.320 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -16.055 -2.489 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -17.510 -1.708 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -19.546 -3.682 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -19.543 -3.074 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -19.536 -4.826 0.060 1.00 0.00 H new