USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 829 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 52 HIS : no HE2:sc= 0.438 K(o=0.43,f=-7.1!) USER MOD Set 1.2: A 77 ASN : amide:sc=-0.00793 K(o=0.43,f=-0.22) USER MOD Set 2.1: A 59 SER OG : rot 32:sc= 1.01 USER MOD Set 2.2: A 94 HIS : no HD1:sc= -1.66 K(o=0.41,f=-3.3!) USER MOD Set 2.3: A 105 TYR OH : rot 150:sc= 1.06 USER MOD Set 3.1: A 26 THR OG1 : rot 32:sc= 0.859 USER MOD Set 3.2: A 39 ASN : amide:sc= -0.258! C(o=3.5!,f=-7.8!) USER MOD Set 3.3: A 70 LYS NZ :NH3+ 147:sc= 2.28 (180deg=1.07) USER MOD Set 3.4: A 75 TYR OH : rot 49:sc= 0.606 USER MOD Set 4.1: A 23 THR OG1 : rot -11:sc= 0.415 USER MOD Set 4.2: A 72 CYS SG : rot 180:sc= -1.77! USER MOD Set 4.3: A 74 HIS : no HD1:sc= -2.87! K(o=-4.2!,f=1.2) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0557) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 5:sc= 0.901 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 32:sc= 0.295 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-4.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.104 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.5 K(o=1.5,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -8.163 -8.161 9.268 1.00 0.00 N ATOM 21 CA TYR A 2 -7.365 -7.329 8.387 1.00 0.00 C ATOM 22 C TYR A 2 -7.995 -7.254 7.005 1.00 0.00 C ATOM 23 O TYR A 2 -9.046 -7.848 6.753 1.00 0.00 O ATOM 24 CB TYR A 2 -5.942 -7.874 8.269 1.00 0.00 C ATOM 25 CG TYR A 2 -5.176 -7.888 9.569 1.00 0.00 C ATOM 26 CD1 TYR A 2 -4.469 -6.771 9.990 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.162 -9.016 10.374 1.00 0.00 C ATOM 28 CE1 TYR A 2 -3.768 -6.779 11.180 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.465 -9.033 11.564 1.00 0.00 C ATOM 30 CZ TYR A 2 -3.770 -7.911 11.964 1.00 0.00 C ATOM 31 OH TYR A 2 -3.071 -7.921 13.147 1.00 0.00 O ATOM 0 HA TYR A 2 -7.327 -6.328 8.817 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.985 -8.889 7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.394 -7.273 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -4.467 -5.881 9.378 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.706 -9.896 10.064 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -3.221 -5.902 11.494 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.463 -9.920 12.179 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.175 -8.793 13.581 1.00 0.00 H new ATOM 41 N LEU A 3 -7.343 -6.517 6.120 1.00 0.00 N ATOM 42 CA LEU A 3 -7.760 -6.419 4.732 1.00 0.00 C ATOM 43 C LEU A 3 -6.830 -7.257 3.865 1.00 0.00 C ATOM 44 O LEU A 3 -5.610 -7.146 3.975 1.00 0.00 O ATOM 45 CB LEU A 3 -7.729 -4.961 4.259 1.00 0.00 C ATOM 46 CG LEU A 3 -8.682 -4.010 4.987 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.421 -2.575 4.554 1.00 0.00 C ATOM 48 CD2 LEU A 3 -10.131 -4.389 4.712 1.00 0.00 C ATOM 0 H LEU A 3 -6.511 -5.971 6.344 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.781 -6.790 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.713 -4.583 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.964 -4.938 3.195 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.503 -4.093 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.104 -1.907 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.393 -2.304 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.578 -2.485 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.793 -3.701 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.325 -4.332 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.313 -5.406 5.060 1.00 0.00 H new ATOM 60 N ARG A 4 -7.400 -8.101 3.023 1.00 0.00 N ATOM 61 CA ARG A 4 -6.600 -8.954 2.150 1.00 0.00 C ATOM 62 C ARG A 4 -5.938 -8.115 1.053 1.00 0.00 C ATOM 63 O ARG A 4 -6.385 -7.006 0.769 1.00 0.00 O ATOM 64 CB ARG A 4 -7.470 -10.054 1.528 1.00 0.00 C ATOM 65 CG ARG A 4 -8.210 -10.909 2.547 1.00 0.00 C ATOM 66 CD ARG A 4 -7.295 -11.370 3.672 1.00 0.00 C ATOM 67 NE ARG A 4 -7.983 -12.240 4.630 1.00 0.00 N ATOM 68 CZ ARG A 4 -8.953 -11.840 5.459 1.00 0.00 C ATOM 69 NH1 ARG A 4 -9.382 -10.585 5.435 1.00 0.00 N ATOM 70 NH2 ARG A 4 -9.498 -12.701 6.312 1.00 0.00 N ATOM 0 H ARG A 4 -8.408 -8.217 2.922 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.821 -9.428 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.197 -9.593 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.839 -10.700 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.040 -10.339 2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.639 -11.778 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.443 -11.902 3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.899 -10.499 4.195 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.702 -13.220 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.972 -9.918 4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.122 -10.287 6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.177 -13.669 6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.238 -12.394 6.944 1.00 0.00 H new ATOM 84 N PRO A 5 -4.862 -8.631 0.425 1.00 0.00 N ATOM 85 CA PRO A 5 -4.131 -7.910 -0.625 1.00 0.00 C ATOM 86 C PRO A 5 -5.047 -7.416 -1.745 1.00 0.00 C ATOM 87 O PRO A 5 -4.941 -6.273 -2.188 1.00 0.00 O ATOM 88 CB PRO A 5 -3.134 -8.945 -1.167 1.00 0.00 C ATOM 89 CG PRO A 5 -3.557 -10.258 -0.594 1.00 0.00 C ATOM 90 CD PRO A 5 -4.264 -9.945 0.692 1.00 0.00 C ATOM 0 HA PRO A 5 -3.654 -7.013 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.151 -8.970 -2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.115 -8.699 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.216 -10.789 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.695 -10.902 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.021 -10.693 0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.574 -9.911 1.535 1.00 0.00 H new ATOM 98 N ASP A 6 -5.951 -8.284 -2.183 1.00 0.00 N ATOM 99 CA ASP A 6 -6.907 -7.948 -3.238 1.00 0.00 C ATOM 100 C ASP A 6 -7.778 -6.770 -2.817 1.00 0.00 C ATOM 101 O ASP A 6 -8.077 -5.879 -3.615 1.00 0.00 O ATOM 102 CB ASP A 6 -7.787 -9.160 -3.558 1.00 0.00 C ATOM 103 CG ASP A 6 -6.981 -10.368 -3.982 1.00 0.00 C ATOM 104 OD1 ASP A 6 -6.700 -10.515 -5.190 1.00 0.00 O ATOM 105 OD2 ASP A 6 -6.615 -11.185 -3.108 1.00 0.00 O ATOM 0 H ASP A 6 -6.044 -9.234 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.349 -7.667 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.382 -9.414 -2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.486 -8.897 -4.352 1.00 0.00 H new ATOM 110 N GLU A 7 -8.158 -6.769 -1.545 1.00 0.00 N ATOM 111 CA GLU A 7 -8.979 -5.712 -0.972 1.00 0.00 C ATOM 112 C GLU A 7 -8.224 -4.386 -1.017 1.00 0.00 C ATOM 113 O GLU A 7 -8.734 -3.380 -1.511 1.00 0.00 O ATOM 114 CB GLU A 7 -9.316 -6.065 0.478 1.00 0.00 C ATOM 115 CG GLU A 7 -10.416 -5.221 1.095 1.00 0.00 C ATOM 116 CD GLU A 7 -11.787 -5.588 0.575 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.089 -6.796 0.486 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.583 -4.677 0.278 1.00 0.00 O ATOM 0 H GLU A 7 -7.905 -7.502 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.899 -5.615 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.612 -7.113 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.415 -5.961 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.398 -5.341 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.222 -4.169 0.888 1.00 0.00 H new ATOM 125 N VAL A 8 -6.994 -4.411 -0.513 1.00 0.00 N ATOM 126 CA VAL A 8 -6.147 -3.223 -0.459 1.00 0.00 C ATOM 127 C VAL A 8 -5.904 -2.657 -1.860 1.00 0.00 C ATOM 128 O VAL A 8 -6.015 -1.449 -2.082 1.00 0.00 O ATOM 129 CB VAL A 8 -4.787 -3.540 0.205 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.888 -2.312 0.232 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.993 -4.081 1.613 1.00 0.00 C ATOM 0 H VAL A 8 -6.558 -5.251 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.672 -2.479 0.140 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.292 -4.305 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.939 -2.566 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.706 -1.972 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.374 -1.518 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.025 -4.298 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.516 -3.338 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.586 -4.994 1.569 1.00 0.00 H new ATOM 141 N ALA A 9 -5.591 -3.542 -2.799 1.00 0.00 N ATOM 142 CA ALA A 9 -5.304 -3.142 -4.170 1.00 0.00 C ATOM 143 C ALA A 9 -6.493 -2.423 -4.799 1.00 0.00 C ATOM 144 O ALA A 9 -6.326 -1.390 -5.449 1.00 0.00 O ATOM 145 CB ALA A 9 -4.919 -4.353 -5.004 1.00 0.00 C ATOM 0 H ALA A 9 -5.529 -4.547 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.465 -2.446 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.707 -4.039 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.032 -4.821 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.741 -5.069 -5.007 1.00 0.00 H new ATOM 151 N ARG A 10 -7.688 -2.973 -4.606 1.00 0.00 N ATOM 152 CA ARG A 10 -8.894 -2.381 -5.171 1.00 0.00 C ATOM 153 C ARG A 10 -9.119 -0.967 -4.634 1.00 0.00 C ATOM 154 O ARG A 10 -9.577 -0.083 -5.361 1.00 0.00 O ATOM 155 CB ARG A 10 -10.113 -3.264 -4.891 1.00 0.00 C ATOM 156 CG ARG A 10 -10.998 -3.471 -6.113 1.00 0.00 C ATOM 157 CD ARG A 10 -11.653 -2.176 -6.566 1.00 0.00 C ATOM 158 NE ARG A 10 -11.947 -2.183 -7.999 1.00 0.00 N ATOM 159 CZ ARG A 10 -13.159 -2.375 -8.519 1.00 0.00 C ATOM 160 NH1 ARG A 10 -14.214 -2.546 -7.730 1.00 0.00 N ATOM 161 NH2 ARG A 10 -13.320 -2.375 -9.835 1.00 0.00 N ATOM 0 H ARG A 10 -7.846 -3.823 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.758 -2.313 -6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.775 -4.234 -4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.705 -2.813 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.401 -3.880 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.769 -4.206 -5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.576 -2.022 -6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.996 -1.337 -6.335 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.172 -2.031 -8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.101 -2.531 -6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.137 -2.692 -8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.517 -2.228 -10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.247 -2.522 -10.235 1.00 0.00 H new ATOM 175 N VAL A 11 -8.793 -0.753 -3.363 1.00 0.00 N ATOM 176 CA VAL A 11 -8.932 0.568 -2.757 1.00 0.00 C ATOM 177 C VAL A 11 -7.959 1.556 -3.397 1.00 0.00 C ATOM 178 O VAL A 11 -8.326 2.688 -3.719 1.00 0.00 O ATOM 179 CB VAL A 11 -8.699 0.527 -1.232 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.856 1.913 -0.622 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.650 -0.458 -0.568 1.00 0.00 C ATOM 0 H VAL A 11 -8.433 -1.472 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.956 0.898 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.677 0.190 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.687 1.858 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.130 2.592 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.864 2.282 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.468 -0.471 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.679 -0.155 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.484 -1.455 -0.976 1.00 0.00 H new ATOM 191 N LEU A 12 -6.723 1.113 -3.599 1.00 0.00 N ATOM 192 CA LEU A 12 -5.711 1.930 -4.261 1.00 0.00 C ATOM 193 C LEU A 12 -6.161 2.292 -5.671 1.00 0.00 C ATOM 194 O LEU A 12 -6.075 3.447 -6.086 1.00 0.00 O ATOM 195 CB LEU A 12 -4.372 1.192 -4.310 1.00 0.00 C ATOM 196 CG LEU A 12 -3.746 0.890 -2.948 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.477 0.075 -3.118 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.451 2.180 -2.201 1.00 0.00 C ATOM 0 H LEU A 12 -6.396 0.190 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.582 2.847 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.512 0.252 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.668 1.787 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.457 0.307 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.043 -0.132 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.713 -0.865 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.762 0.636 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.006 1.947 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.757 2.787 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.378 2.733 -2.050 1.00 0.00 H new ATOM 210 N GLU A 13 -6.656 1.294 -6.396 1.00 0.00 N ATOM 211 CA GLU A 13 -7.175 1.493 -7.744 1.00 0.00 C ATOM 212 C GLU A 13 -8.280 2.549 -7.741 1.00 0.00 C ATOM 213 O GLU A 13 -8.341 3.418 -8.616 1.00 0.00 O ATOM 214 CB GLU A 13 -7.726 0.171 -8.278 1.00 0.00 C ATOM 215 CG GLU A 13 -8.273 0.248 -9.693 1.00 0.00 C ATOM 216 CD GLU A 13 -9.057 -0.991 -10.073 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.441 -1.974 -10.534 1.00 0.00 O ATOM 218 OE2 GLU A 13 -10.297 -0.987 -9.910 1.00 0.00 O ATOM 0 H GLU A 13 -6.709 0.330 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.365 1.839 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.935 -0.578 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.518 -0.174 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.915 1.124 -9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.448 0.382 -10.393 1.00 0.00 H new ATOM 225 N LYS A 14 -9.140 2.462 -6.736 1.00 0.00 N ATOM 226 CA LYS A 14 -10.266 3.375 -6.569 1.00 0.00 C ATOM 227 C LYS A 14 -9.785 4.808 -6.379 1.00 0.00 C ATOM 228 O LYS A 14 -10.329 5.745 -6.962 1.00 0.00 O ATOM 229 CB LYS A 14 -11.066 2.947 -5.341 1.00 0.00 C ATOM 230 CG LYS A 14 -12.484 3.481 -5.286 1.00 0.00 C ATOM 231 CD LYS A 14 -13.163 3.051 -3.996 1.00 0.00 C ATOM 232 CE LYS A 14 -14.630 3.438 -3.967 1.00 0.00 C ATOM 233 NZ LYS A 14 -14.831 4.906 -4.087 1.00 0.00 N ATOM 0 H LYS A 14 -9.077 1.751 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.886 3.337 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.102 1.858 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.535 3.274 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.472 4.569 -5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.051 3.115 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.071 1.971 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.651 3.507 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.152 2.935 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.077 3.088 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.841 5.128 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.287 5.393 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.506 5.226 -5.022 1.00 0.00 H new ATOM 247 N ALA A 15 -8.747 4.951 -5.569 1.00 0.00 N ATOM 248 CA ALA A 15 -8.210 6.259 -5.198 1.00 0.00 C ATOM 249 C ALA A 15 -7.442 6.937 -6.341 1.00 0.00 C ATOM 250 O ALA A 15 -6.782 7.960 -6.132 1.00 0.00 O ATOM 251 CB ALA A 15 -7.318 6.119 -3.973 1.00 0.00 C ATOM 0 H ALA A 15 -8.250 4.166 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.059 6.903 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.920 7.096 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.900 5.719 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.494 5.441 -4.198 1.00 0.00 H new ATOM 257 N GLY A 16 -7.521 6.376 -7.538 1.00 0.00 N ATOM 258 CA GLY A 16 -6.936 7.025 -8.696 1.00 0.00 C ATOM 259 C GLY A 16 -5.482 6.672 -8.904 1.00 0.00 C ATOM 260 O GLY A 16 -4.706 7.484 -9.406 1.00 0.00 O ATOM 0 H GLY A 16 -7.978 5.485 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.502 6.746 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.029 8.105 -8.585 1.00 0.00 H new ATOM 264 N PHE A 17 -5.108 5.464 -8.521 1.00 0.00 N ATOM 265 CA PHE A 17 -3.736 5.002 -8.688 1.00 0.00 C ATOM 266 C PHE A 17 -3.575 4.222 -9.983 1.00 0.00 C ATOM 267 O PHE A 17 -4.557 3.796 -10.588 1.00 0.00 O ATOM 268 CB PHE A 17 -3.321 4.121 -7.514 1.00 0.00 C ATOM 269 CG PHE A 17 -2.922 4.870 -6.275 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.863 5.551 -5.520 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.599 4.886 -5.861 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.494 6.234 -4.379 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.224 5.565 -4.720 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.172 6.240 -3.976 1.00 0.00 C ATOM 0 H PHE A 17 -5.734 4.783 -8.092 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.095 5.883 -8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.148 3.454 -7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.487 3.493 -7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.898 5.547 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.853 4.361 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.238 6.763 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.190 5.569 -4.409 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.881 6.771 -3.082 1.00 0.00 H new ATOM 284 N THR A 18 -2.330 4.046 -10.400 1.00 0.00 N ATOM 285 CA THR A 18 -2.022 3.293 -11.598 1.00 0.00 C ATOM 286 C THR A 18 -1.000 2.203 -11.282 1.00 0.00 C ATOM 287 O THR A 18 -0.264 2.302 -10.297 1.00 0.00 O ATOM 288 CB THR A 18 -1.455 4.213 -12.697 1.00 0.00 C ATOM 289 OG1 THR A 18 -1.773 5.582 -12.410 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.029 3.843 -14.052 1.00 0.00 C ATOM 0 H THR A 18 -1.512 4.420 -9.918 1.00 0.00 H new ATOM 0 HA THR A 18 -2.946 2.841 -11.958 1.00 0.00 H new ATOM 0 HB THR A 18 -0.373 4.086 -12.719 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.407 6.157 -13.114 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.617 4.504 -14.815 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.770 2.811 -14.287 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.114 3.948 -14.029 1.00 0.00 H new ATOM 298 N VAL A 19 -0.960 1.161 -12.102 1.00 0.00 N ATOM 299 CA VAL A 19 0.003 0.088 -11.907 1.00 0.00 C ATOM 300 C VAL A 19 1.349 0.474 -12.525 1.00 0.00 C ATOM 301 O VAL A 19 1.402 1.209 -13.516 1.00 0.00 O ATOM 302 CB VAL A 19 -0.491 -1.254 -12.508 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.396 -1.254 -14.029 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.281 -2.426 -11.920 1.00 0.00 C ATOM 0 H VAL A 19 -1.579 1.037 -12.903 1.00 0.00 H new ATOM 0 HA VAL A 19 0.120 -0.057 -10.833 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.542 -1.366 -12.243 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.750 -2.210 -14.416 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.011 -0.449 -14.432 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.641 -1.103 -14.329 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.082 -3.357 -12.356 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.342 -2.311 -12.142 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.137 -2.451 -10.840 1.00 0.00 H new ATOM 314 N ASP A 20 2.427 0.003 -11.920 1.00 0.00 N ATOM 315 CA ASP A 20 3.769 0.260 -12.423 1.00 0.00 C ATOM 316 C ASP A 20 4.464 -1.047 -12.773 1.00 0.00 C ATOM 317 O ASP A 20 4.813 -1.291 -13.928 1.00 0.00 O ATOM 318 CB ASP A 20 4.591 1.018 -11.381 1.00 0.00 C ATOM 319 CG ASP A 20 5.996 1.325 -11.857 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.138 2.056 -12.858 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.959 0.862 -11.218 1.00 0.00 O ATOM 0 H ASP A 20 2.399 -0.564 -11.073 1.00 0.00 H new ATOM 0 HA ASP A 20 3.687 0.869 -13.323 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.084 1.950 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.642 0.429 -10.465 1.00 0.00 H new ATOM 326 N VAL A 21 4.646 -1.891 -11.768 1.00 0.00 N ATOM 327 CA VAL A 21 5.297 -3.174 -11.961 1.00 0.00 C ATOM 328 C VAL A 21 4.423 -4.309 -11.431 1.00 0.00 C ATOM 329 O VAL A 21 4.193 -4.435 -10.229 1.00 0.00 O ATOM 330 CB VAL A 21 6.696 -3.201 -11.291 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.615 -2.818 -9.814 1.00 0.00 C ATOM 332 CG2 VAL A 21 7.351 -4.565 -11.460 1.00 0.00 C ATOM 0 H VAL A 21 4.350 -1.708 -10.809 1.00 0.00 H new ATOM 0 HA VAL A 21 5.437 -3.319 -13.032 1.00 0.00 H new ATOM 0 HB VAL A 21 7.317 -2.458 -11.792 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.612 -2.847 -9.375 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.207 -1.812 -9.721 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.968 -3.522 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.331 -4.560 -10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.726 -5.329 -10.997 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.466 -4.784 -12.521 1.00 0.00 H new ATOM 342 N VAL A 22 3.918 -5.128 -12.333 1.00 0.00 N ATOM 343 CA VAL A 22 3.021 -6.200 -11.949 1.00 0.00 C ATOM 344 C VAL A 22 3.770 -7.529 -11.787 1.00 0.00 C ATOM 345 O VAL A 22 4.035 -8.246 -12.754 1.00 0.00 O ATOM 346 CB VAL A 22 1.842 -6.337 -12.948 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.333 -6.493 -14.383 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.928 -7.491 -12.558 1.00 0.00 C ATOM 0 H VAL A 22 4.113 -5.072 -13.333 1.00 0.00 H new ATOM 0 HA VAL A 22 2.601 -5.940 -10.977 1.00 0.00 H new ATOM 0 HB VAL A 22 1.265 -5.413 -12.899 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.478 -6.586 -15.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.920 -5.619 -14.664 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.953 -7.386 -14.460 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.110 -7.565 -13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.496 -8.421 -12.558 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.523 -7.314 -11.562 1.00 0.00 H new ATOM 358 N THR A 23 4.154 -7.826 -10.552 1.00 0.00 N ATOM 359 CA THR A 23 4.702 -9.132 -10.226 1.00 0.00 C ATOM 360 C THR A 23 3.590 -9.991 -9.637 1.00 0.00 C ATOM 361 O THR A 23 2.691 -9.477 -8.968 1.00 0.00 O ATOM 362 CB THR A 23 5.894 -9.053 -9.233 1.00 0.00 C ATOM 363 OG1 THR A 23 5.492 -8.473 -7.991 1.00 0.00 O ATOM 364 CG2 THR A 23 7.041 -8.241 -9.810 1.00 0.00 C ATOM 0 H THR A 23 4.096 -7.181 -9.764 1.00 0.00 H new ATOM 0 HA THR A 23 5.091 -9.574 -11.144 1.00 0.00 H new ATOM 0 HB THR A 23 6.231 -10.075 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.597 -8.086 -8.085 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.859 -8.205 -9.091 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.389 -8.707 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.699 -7.228 -10.022 1.00 0.00 H new ATOM 372 N ASN A 24 3.646 -11.291 -9.869 1.00 0.00 N ATOM 373 CA ASN A 24 2.584 -12.190 -9.427 1.00 0.00 C ATOM 374 C ASN A 24 2.615 -12.369 -7.905 1.00 0.00 C ATOM 375 O ASN A 24 1.830 -13.123 -7.334 1.00 0.00 O ATOM 376 CB ASN A 24 2.716 -13.543 -10.131 1.00 0.00 C ATOM 377 CG ASN A 24 1.438 -14.358 -10.072 1.00 0.00 C ATOM 378 OD1 ASN A 24 0.338 -13.810 -10.069 1.00 0.00 O ATOM 379 ND2 ASN A 24 1.571 -15.675 -10.029 1.00 0.00 N ATOM 0 H ASN A 24 4.413 -11.751 -10.360 1.00 0.00 H new ATOM 0 HA ASN A 24 1.624 -11.747 -9.692 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.991 -13.381 -11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.526 -14.110 -9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.744 -16.270 -9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.501 -16.094 -10.033 1.00 0.00 H new ATOM 386 N LYS A 25 3.513 -11.646 -7.246 1.00 0.00 N ATOM 387 CA LYS A 25 3.645 -11.718 -5.801 1.00 0.00 C ATOM 388 C LYS A 25 3.387 -10.352 -5.182 1.00 0.00 C ATOM 389 O LYS A 25 3.244 -10.223 -3.966 1.00 0.00 O ATOM 390 CB LYS A 25 5.054 -12.176 -5.423 1.00 0.00 C ATOM 391 CG LYS A 25 5.465 -13.505 -6.036 1.00 0.00 C ATOM 392 CD LYS A 25 6.947 -13.757 -5.825 1.00 0.00 C ATOM 393 CE LYS A 25 7.405 -15.045 -6.482 1.00 0.00 C ATOM 394 NZ LYS A 25 8.871 -15.250 -6.331 1.00 0.00 N ATOM 0 H LYS A 25 4.163 -11.001 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 25 2.914 -12.434 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.767 -11.411 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.119 -12.254 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.886 -14.313 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.239 -13.505 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.518 -12.921 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.159 -13.800 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.873 -15.888 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.148 -15.025 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.146 -16.140 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.380 -14.458 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.113 -15.295 -5.321 1.00 0.00 H new ATOM 408 N THR A 26 3.326 -9.334 -6.026 1.00 0.00 N ATOM 409 CA THR A 26 3.303 -7.956 -5.563 1.00 0.00 C ATOM 410 C THR A 26 2.844 -7.000 -6.670 1.00 0.00 C ATOM 411 O THR A 26 3.391 -6.995 -7.774 1.00 0.00 O ATOM 412 CB THR A 26 4.714 -7.554 -5.063 1.00 0.00 C ATOM 413 OG1 THR A 26 4.979 -8.147 -3.780 1.00 0.00 O ATOM 414 CG2 THR A 26 4.869 -6.052 -4.980 1.00 0.00 C ATOM 0 H THR A 26 3.291 -9.437 -7.040 1.00 0.00 H new ATOM 0 HA THR A 26 2.588 -7.882 -4.744 1.00 0.00 H new ATOM 0 HB THR A 26 5.438 -7.927 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.517 -9.009 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.871 -5.809 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.717 -5.615 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.131 -5.648 -4.287 1.00 0.00 H new ATOM 422 N TYR A 27 1.832 -6.201 -6.374 1.00 0.00 N ATOM 423 CA TYR A 27 1.365 -5.194 -7.315 1.00 0.00 C ATOM 424 C TYR A 27 2.100 -3.880 -7.093 1.00 0.00 C ATOM 425 O TYR A 27 1.846 -3.182 -6.111 1.00 0.00 O ATOM 426 CB TYR A 27 -0.134 -4.939 -7.174 1.00 0.00 C ATOM 427 CG TYR A 27 -1.018 -6.120 -7.495 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.030 -6.681 -8.765 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.862 -6.652 -6.532 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.860 -7.745 -9.064 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.691 -7.716 -6.821 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.688 -8.259 -8.087 1.00 0.00 C ATOM 433 OH TYR A 27 -3.521 -9.317 -8.376 1.00 0.00 O ATOM 0 H TYR A 27 1.319 -6.229 -5.493 1.00 0.00 H new ATOM 0 HA TYR A 27 1.566 -5.577 -8.316 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.338 -4.620 -6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.409 -4.111 -7.827 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.382 -6.280 -9.530 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.870 -6.226 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.861 -8.172 -10.056 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.339 -8.121 -6.058 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.035 -9.556 -7.577 1.00 0.00 H new ATOM 443 N GLY A 28 3.019 -3.557 -7.987 1.00 0.00 N ATOM 444 CA GLY A 28 3.663 -2.266 -7.941 1.00 0.00 C ATOM 445 C GLY A 28 2.705 -1.179 -8.366 1.00 0.00 C ATOM 446 O GLY A 28 2.250 -1.159 -9.508 1.00 0.00 O ATOM 0 H GLY A 28 3.330 -4.167 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.021 -2.068 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.535 -2.265 -8.594 1.00 0.00 H new ATOM 450 N TYR A 29 2.390 -0.290 -7.447 1.00 0.00 N ATOM 451 CA TYR A 29 1.371 0.717 -7.666 1.00 0.00 C ATOM 452 C TYR A 29 1.928 2.110 -7.406 1.00 0.00 C ATOM 453 O TYR A 29 2.678 2.318 -6.455 1.00 0.00 O ATOM 454 CB TYR A 29 0.190 0.441 -6.734 1.00 0.00 C ATOM 455 CG TYR A 29 -1.022 -0.144 -7.422 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.149 -1.516 -7.594 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.043 0.673 -7.894 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.256 -2.058 -8.218 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.156 0.139 -8.517 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.256 -1.228 -8.676 1.00 0.00 C ATOM 461 OH TYR A 29 -4.363 -1.769 -9.292 1.00 0.00 O ATOM 0 H TYR A 29 2.832 -0.244 -6.529 1.00 0.00 H new ATOM 0 HA TYR A 29 1.040 0.673 -8.704 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.514 -0.243 -5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.098 1.372 -6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.369 -2.171 -7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.966 1.743 -7.772 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.337 -3.127 -8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.941 0.787 -8.877 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.975 -1.050 -9.555 1.00 0.00 H new ATOM 471 N ARG A 30 1.578 3.066 -8.249 1.00 0.00 N ATOM 472 CA ARG A 30 2.025 4.431 -8.039 1.00 0.00 C ATOM 473 C ARG A 30 1.016 5.444 -8.553 1.00 0.00 C ATOM 474 O ARG A 30 0.163 5.138 -9.385 1.00 0.00 O ATOM 475 CB ARG A 30 3.394 4.687 -8.682 1.00 0.00 C ATOM 476 CG ARG A 30 3.441 4.453 -10.183 1.00 0.00 C ATOM 477 CD ARG A 30 4.744 4.967 -10.775 1.00 0.00 C ATOM 478 NE ARG A 30 4.946 4.518 -12.152 1.00 0.00 N ATOM 479 CZ ARG A 30 5.243 5.327 -13.170 1.00 0.00 C ATOM 480 NH1 ARG A 30 5.326 6.642 -12.983 1.00 0.00 N ATOM 481 NH2 ARG A 30 5.456 4.821 -14.376 1.00 0.00 N ATOM 0 H ARG A 30 0.994 2.926 -9.074 1.00 0.00 H new ATOM 0 HA ARG A 30 2.120 4.559 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.690 5.716 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.132 4.043 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.338 3.388 -10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.598 4.954 -10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.748 6.057 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.578 4.629 -10.160 1.00 0.00 H new ATOM 0 HE ARG A 30 4.854 3.521 -12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.162 7.037 -12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.554 7.255 -13.766 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.393 3.814 -14.525 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.683 5.439 -15.155 1.00 0.00 H new ATOM 495 N ARG A 31 1.115 6.643 -8.009 1.00 0.00 N ATOM 496 CA ARG A 31 0.325 7.779 -8.448 1.00 0.00 C ATOM 497 C ARG A 31 1.191 9.023 -8.307 1.00 0.00 C ATOM 498 O ARG A 31 1.143 9.715 -7.290 1.00 0.00 O ATOM 499 CB ARG A 31 -0.948 7.902 -7.604 1.00 0.00 C ATOM 500 CG ARG A 31 -1.957 8.909 -8.130 1.00 0.00 C ATOM 501 CD ARG A 31 -3.116 9.075 -7.160 1.00 0.00 C ATOM 502 NE ARG A 31 -2.686 9.713 -5.914 1.00 0.00 N ATOM 503 CZ ARG A 31 -3.483 9.933 -4.868 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.759 9.554 -4.903 1.00 0.00 N ATOM 505 NH2 ARG A 31 -2.999 10.529 -3.783 1.00 0.00 N ATOM 0 H ARG A 31 1.752 6.858 -7.242 1.00 0.00 H new ATOM 0 HA ARG A 31 0.015 7.653 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.426 6.924 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.670 8.182 -6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.469 9.871 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.333 8.581 -9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.898 9.674 -7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.550 8.100 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.712 10.009 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.131 9.093 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.364 9.725 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.021 10.816 -3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.606 10.699 -2.981 1.00 0.00 H new ATOM 519 N GLY A 32 2.026 9.268 -9.305 1.00 0.00 N ATOM 520 CA GLY A 32 3.059 10.271 -9.164 1.00 0.00 C ATOM 521 C GLY A 32 4.165 9.757 -8.267 1.00 0.00 C ATOM 522 O GLY A 32 4.699 8.672 -8.496 1.00 0.00 O ATOM 0 H GLY A 32 2.007 8.792 -10.207 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.464 10.527 -10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.635 11.184 -8.745 1.00 0.00 H new ATOM 526 N GLU A 33 4.483 10.508 -7.221 1.00 0.00 N ATOM 527 CA GLU A 33 5.464 10.061 -6.237 1.00 0.00 C ATOM 528 C GLU A 33 4.800 9.266 -5.115 1.00 0.00 C ATOM 529 O GLU A 33 5.400 9.033 -4.064 1.00 0.00 O ATOM 530 CB GLU A 33 6.240 11.242 -5.656 1.00 0.00 C ATOM 531 CG GLU A 33 7.253 11.827 -6.624 1.00 0.00 C ATOM 532 CD GLU A 33 8.090 12.919 -5.996 1.00 0.00 C ATOM 533 OE1 GLU A 33 9.078 12.596 -5.301 1.00 0.00 O ATOM 534 OE2 GLU A 33 7.766 14.109 -6.200 1.00 0.00 O ATOM 0 H GLU A 33 4.079 11.425 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 33 6.166 9.406 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.537 12.021 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.756 10.920 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.908 11.033 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.731 12.228 -7.493 1.00 0.00 H new ATOM 541 N ASN A 34 3.569 8.833 -5.343 1.00 0.00 N ATOM 542 CA ASN A 34 2.882 7.975 -4.388 1.00 0.00 C ATOM 543 C ASN A 34 3.170 6.520 -4.729 1.00 0.00 C ATOM 544 O ASN A 34 2.430 5.897 -5.484 1.00 0.00 O ATOM 545 CB ASN A 34 1.364 8.213 -4.402 1.00 0.00 C ATOM 546 CG ASN A 34 0.958 9.630 -4.023 1.00 0.00 C ATOM 547 OD1 ASN A 34 -0.083 10.126 -4.460 1.00 0.00 O ATOM 548 ND2 ASN A 34 1.766 10.291 -3.206 1.00 0.00 N ATOM 0 H ASN A 34 3.027 9.060 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 34 3.249 8.213 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.980 7.990 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.890 7.513 -3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.535 11.242 -2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.619 9.849 -2.864 1.00 0.00 H new ATOM 555 N TYR A 35 4.272 6.002 -4.201 1.00 0.00 N ATOM 556 CA TYR A 35 4.715 4.650 -4.523 1.00 0.00 C ATOM 557 C TYR A 35 4.305 3.656 -3.444 1.00 0.00 C ATOM 558 O TYR A 35 4.692 3.794 -2.280 1.00 0.00 O ATOM 559 CB TYR A 35 6.236 4.606 -4.688 1.00 0.00 C ATOM 560 CG TYR A 35 6.772 5.442 -5.828 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.714 4.984 -7.139 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.354 6.680 -5.591 1.00 0.00 C ATOM 563 CE1 TYR A 35 7.217 5.739 -8.181 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.863 7.439 -6.627 1.00 0.00 C ATOM 565 CZ TYR A 35 7.792 6.964 -7.920 1.00 0.00 C ATOM 566 OH TYR A 35 8.303 7.715 -8.954 1.00 0.00 O ATOM 0 H TYR A 35 4.877 6.498 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 35 4.235 4.370 -5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.698 4.942 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.542 3.571 -4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.268 4.022 -7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.410 7.056 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.160 5.371 -9.195 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.314 8.399 -6.426 1.00 0.00 H new ATOM 0 HH TYR A 35 8.671 8.551 -8.600 1.00 0.00 H new ATOM 576 N VAL A 36 3.531 2.656 -3.841 1.00 0.00 N ATOM 577 CA VAL A 36 3.140 1.574 -2.950 1.00 0.00 C ATOM 578 C VAL A 36 3.255 0.232 -3.665 1.00 0.00 C ATOM 579 O VAL A 36 3.304 0.170 -4.893 1.00 0.00 O ATOM 580 CB VAL A 36 1.699 1.741 -2.414 1.00 0.00 C ATOM 581 CG1 VAL A 36 1.606 2.926 -1.472 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.707 1.892 -3.556 1.00 0.00 C ATOM 0 H VAL A 36 3.158 2.572 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 36 3.821 1.607 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 36 1.445 0.839 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.583 3.022 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.278 2.773 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.890 3.835 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.299 2.008 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.964 2.771 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.743 1.006 -4.189 1.00 0.00 H new ATOM 592 N TYR A 37 3.322 -0.837 -2.896 1.00 0.00 N ATOM 593 CA TYR A 37 3.433 -2.178 -3.446 1.00 0.00 C ATOM 594 C TYR A 37 2.493 -3.118 -2.702 1.00 0.00 C ATOM 595 O TYR A 37 2.666 -3.361 -1.511 1.00 0.00 O ATOM 596 CB TYR A 37 4.876 -2.681 -3.340 1.00 0.00 C ATOM 597 CG TYR A 37 5.868 -1.860 -4.138 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.141 -2.166 -5.464 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.522 -0.773 -3.568 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.037 -1.415 -6.201 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.418 -0.016 -4.298 1.00 0.00 C ATOM 602 CZ TYR A 37 7.671 -0.341 -5.614 1.00 0.00 C ATOM 603 OH TYR A 37 8.563 0.412 -6.347 1.00 0.00 O ATOM 0 H TYR A 37 3.301 -0.804 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 37 3.153 -2.152 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.176 -2.679 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.917 -3.715 -3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.645 -3.006 -5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.326 -0.516 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.239 -1.668 -7.231 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.917 0.825 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 37 8.921 1.132 -5.787 1.00 0.00 H new ATOM 613 N VAL A 38 1.486 -3.626 -3.397 1.00 0.00 N ATOM 614 CA VAL A 38 0.513 -4.512 -2.775 1.00 0.00 C ATOM 615 C VAL A 38 1.048 -5.936 -2.731 1.00 0.00 C ATOM 616 O VAL A 38 1.141 -6.607 -3.760 1.00 0.00 O ATOM 617 CB VAL A 38 -0.832 -4.509 -3.527 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.894 -5.263 -2.739 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.281 -3.087 -3.827 1.00 0.00 C ATOM 0 H VAL A 38 1.322 -3.441 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 38 0.345 -4.141 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.691 -5.024 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.835 -5.248 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.575 -6.295 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.034 -4.787 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.233 -3.110 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.400 -2.538 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.532 -2.592 -4.445 1.00 0.00 H new ATOM 629 N ASN A 39 1.412 -6.385 -1.545 1.00 0.00 N ATOM 630 CA ASN A 39 1.958 -7.720 -1.379 1.00 0.00 C ATOM 631 C ASN A 39 0.846 -8.761 -1.429 1.00 0.00 C ATOM 632 O ASN A 39 0.006 -8.826 -0.534 1.00 0.00 O ATOM 633 CB ASN A 39 2.715 -7.832 -0.053 1.00 0.00 C ATOM 634 CG ASN A 39 3.569 -9.086 0.021 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.780 -9.647 1.095 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.086 -9.522 -1.120 1.00 0.00 N ATOM 0 H ASN A 39 1.340 -5.846 -0.682 1.00 0.00 H new ATOM 0 HA ASN A 39 2.654 -7.906 -2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.350 -6.955 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.001 -7.832 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.682 -10.350 -1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.888 -9.029 -1.991 1.00 0.00 H new ATOM 643 N ARG A 40 0.843 -9.580 -2.476 1.00 0.00 N ATOM 644 CA ARG A 40 -0.160 -10.636 -2.614 1.00 0.00 C ATOM 645 C ARG A 40 0.140 -11.765 -1.633 1.00 0.00 C ATOM 646 O ARG A 40 -0.674 -12.660 -1.421 1.00 0.00 O ATOM 647 CB ARG A 40 -0.189 -11.184 -4.046 1.00 0.00 C ATOM 648 CG ARG A 40 -0.393 -10.121 -5.114 1.00 0.00 C ATOM 649 CD ARG A 40 -0.457 -10.734 -6.508 1.00 0.00 C ATOM 650 NE ARG A 40 -1.755 -11.346 -6.793 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.911 -12.567 -7.302 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.864 -13.357 -7.467 1.00 0.00 N ATOM 653 NH2 ARG A 40 -3.121 -13.001 -7.638 1.00 0.00 N ATOM 0 H ARG A 40 1.519 -9.535 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.138 -10.210 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.747 -11.706 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.988 -11.921 -4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.314 -9.574 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.422 -9.399 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.252 -9.962 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.325 -11.487 -6.606 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.594 -10.803 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.066 -13.032 -7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.987 -14.291 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.934 -12.399 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.237 -13.936 -8.028 1.00 0.00 H new ATOM 667 N GLU A 41 1.321 -11.696 -1.032 1.00 0.00 N ATOM 668 CA GLU A 41 1.773 -12.699 -0.077 1.00 0.00 C ATOM 669 C GLU A 41 1.324 -12.339 1.335 1.00 0.00 C ATOM 670 O GLU A 41 1.854 -12.856 2.321 1.00 0.00 O ATOM 671 CB GLU A 41 3.294 -12.799 -0.114 1.00 0.00 C ATOM 672 CG GLU A 41 3.859 -12.962 -1.513 1.00 0.00 C ATOM 673 CD GLU A 41 5.366 -12.865 -1.528 1.00 0.00 C ATOM 674 OE1 GLU A 41 5.889 -11.731 -1.483 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.034 -13.916 -1.562 1.00 0.00 O ATOM 0 H GLU A 41 1.991 -10.944 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 41 1.334 -13.658 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.720 -11.903 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.609 -13.645 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.554 -13.927 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.440 -12.196 -2.165 1.00 0.00 H new ATOM 682 N ALA A 42 0.356 -11.438 1.430 1.00 0.00 N ATOM 683 CA ALA A 42 -0.155 -11.014 2.721 1.00 0.00 C ATOM 684 C ALA A 42 -0.997 -12.116 3.347 1.00 0.00 C ATOM 685 O ALA A 42 -2.171 -12.274 3.018 1.00 0.00 O ATOM 686 CB ALA A 42 -0.960 -9.737 2.581 1.00 0.00 C ATOM 0 H ALA A 42 -0.089 -10.989 0.629 1.00 0.00 H new ATOM 0 HA ALA A 42 0.690 -10.813 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.335 -9.434 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.325 -8.949 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.800 -9.908 1.907 1.00 0.00 H new ATOM 692 N ARG A 43 -0.367 -12.875 4.238 1.00 0.00 N ATOM 693 CA ARG A 43 -1.005 -13.999 4.923 1.00 0.00 C ATOM 694 C ARG A 43 -2.362 -13.610 5.509 1.00 0.00 C ATOM 695 O ARG A 43 -3.404 -14.052 5.025 1.00 0.00 O ATOM 696 CB ARG A 43 -0.086 -14.509 6.034 1.00 0.00 C ATOM 697 CG ARG A 43 1.264 -14.997 5.536 1.00 0.00 C ATOM 698 CD ARG A 43 2.220 -15.254 6.692 1.00 0.00 C ATOM 699 NE ARG A 43 3.511 -15.771 6.237 1.00 0.00 N ATOM 700 CZ ARG A 43 4.645 -15.067 6.238 1.00 0.00 C ATOM 701 NH1 ARG A 43 4.656 -13.807 6.655 1.00 0.00 N ATOM 702 NH2 ARG A 43 5.774 -15.623 5.823 1.00 0.00 N ATOM 0 H ARG A 43 0.606 -12.729 4.508 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.176 -14.787 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.071 -13.710 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.585 -15.323 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.132 -15.913 4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.695 -14.256 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.376 -14.328 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.769 -15.966 7.383 1.00 0.00 H new ATOM 0 HE ARG A 43 3.547 -16.732 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.793 -13.369 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.527 -13.277 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.778 -16.591 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.639 -15.083 5.825 1.00 0.00 H new ATOM 716 N MET A 44 -2.346 -12.779 6.543 1.00 0.00 N ATOM 717 CA MET A 44 -3.584 -12.323 7.169 1.00 0.00 C ATOM 718 C MET A 44 -4.041 -11.016 6.535 1.00 0.00 C ATOM 719 O MET A 44 -5.129 -10.525 6.816 1.00 0.00 O ATOM 720 CB MET A 44 -3.398 -12.098 8.677 1.00 0.00 C ATOM 721 CG MET A 44 -2.499 -13.112 9.367 1.00 0.00 C ATOM 722 SD MET A 44 -0.744 -12.782 9.094 1.00 0.00 S ATOM 723 CE MET A 44 -0.005 -14.111 10.043 1.00 0.00 C ATOM 0 H MET A 44 -1.495 -12.408 6.966 1.00 0.00 H new ATOM 0 HA MET A 44 -4.334 -13.099 7.016 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.985 -11.102 8.833 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.377 -12.116 9.156 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.704 -13.105 10.437 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.738 -14.111 9.003 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.081 -14.046 9.975 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.309 -14.026 11.086 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.337 -15.070 9.645 1.00 0.00 H new ATOM 733 N GLY A 45 -3.196 -10.461 5.673 1.00 0.00 N ATOM 734 CA GLY A 45 -3.438 -9.130 5.144 1.00 0.00 C ATOM 735 C GLY A 45 -2.767 -8.073 5.997 1.00 0.00 C ATOM 736 O GLY A 45 -2.824 -6.880 5.703 1.00 0.00 O ATOM 0 H GLY A 45 -2.346 -10.909 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.064 -9.068 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.511 -8.941 5.103 1.00 0.00 H new ATOM 740 N ARG A 46 -2.113 -8.536 7.057 1.00 0.00 N ATOM 741 CA ARG A 46 -1.445 -7.663 8.016 1.00 0.00 C ATOM 742 C ARG A 46 -0.280 -6.905 7.378 1.00 0.00 C ATOM 743 O ARG A 46 0.037 -5.793 7.786 1.00 0.00 O ATOM 744 CB ARG A 46 -0.945 -8.499 9.202 1.00 0.00 C ATOM 745 CG ARG A 46 -0.173 -7.707 10.245 1.00 0.00 C ATOM 746 CD ARG A 46 0.328 -8.605 11.366 1.00 0.00 C ATOM 747 NE ARG A 46 1.213 -7.894 12.286 1.00 0.00 N ATOM 748 CZ ARG A 46 2.319 -8.420 12.814 1.00 0.00 C ATOM 749 NH1 ARG A 46 2.661 -9.671 12.530 1.00 0.00 N ATOM 750 NH2 ARG A 46 3.079 -7.697 13.629 1.00 0.00 N ATOM 0 H ARG A 46 -2.031 -9.529 7.276 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.166 -6.922 8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.800 -8.974 9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.307 -9.298 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.672 -7.207 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.813 -6.928 10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.523 -9.004 11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.858 -9.456 10.939 1.00 0.00 H new ATOM 0 HE ARG A 46 0.970 -6.937 12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.078 -10.230 11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.507 -10.073 12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.817 -6.737 13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.924 -8.102 14.031 1.00 0.00 H new ATOM 764 N THR A 47 0.351 -7.508 6.380 1.00 0.00 N ATOM 765 CA THR A 47 1.521 -6.913 5.743 1.00 0.00 C ATOM 766 C THR A 47 1.285 -6.682 4.252 1.00 0.00 C ATOM 767 O THR A 47 2.207 -6.784 3.446 1.00 0.00 O ATOM 768 CB THR A 47 2.749 -7.825 5.928 1.00 0.00 C ATOM 769 OG1 THR A 47 2.415 -9.170 5.552 1.00 0.00 O ATOM 770 CG2 THR A 47 3.238 -7.800 7.372 1.00 0.00 C ATOM 0 H THR A 47 0.073 -8.410 5.993 1.00 0.00 H new ATOM 0 HA THR A 47 1.702 -5.950 6.220 1.00 0.00 H new ATOM 0 HB THR A 47 3.550 -7.454 5.289 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.199 -9.747 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.105 -8.452 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.516 -6.782 7.644 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.443 -8.148 8.031 1.00 0.00 H new ATOM 778 N ALA A 48 0.051 -6.349 3.898 1.00 0.00 N ATOM 779 CA ALA A 48 -0.330 -6.214 2.496 1.00 0.00 C ATOM 780 C ALA A 48 0.200 -4.927 1.867 1.00 0.00 C ATOM 781 O ALA A 48 0.690 -4.940 0.738 1.00 0.00 O ATOM 782 CB ALA A 48 -1.843 -6.278 2.353 1.00 0.00 C ATOM 0 H ALA A 48 -0.703 -6.167 4.560 1.00 0.00 H new ATOM 0 HA ALA A 48 0.125 -7.047 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.114 -6.176 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.204 -7.235 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.297 -5.469 2.925 1.00 0.00 H new ATOM 788 N LEU A 49 0.104 -3.820 2.592 1.00 0.00 N ATOM 789 CA LEU A 49 0.426 -2.520 2.017 1.00 0.00 C ATOM 790 C LEU A 49 1.884 -2.143 2.252 1.00 0.00 C ATOM 791 O LEU A 49 2.252 -1.668 3.328 1.00 0.00 O ATOM 792 CB LEU A 49 -0.489 -1.434 2.590 1.00 0.00 C ATOM 793 CG LEU A 49 -0.314 -0.046 1.966 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.727 -0.057 0.504 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.107 0.993 2.744 1.00 0.00 C ATOM 0 H LEU A 49 -0.191 -3.795 3.568 1.00 0.00 H new ATOM 0 HA LEU A 49 0.265 -2.595 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.525 -1.747 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.311 -1.359 3.663 1.00 0.00 H new ATOM 0 HG LEU A 49 0.741 0.222 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.595 0.939 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.109 -0.769 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.774 -0.349 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.971 1.973 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.165 0.730 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.755 1.022 3.775 1.00 0.00 H new ATOM 807 N ILE A 50 2.712 -2.364 1.249 1.00 0.00 N ATOM 808 CA ILE A 50 4.093 -1.919 1.298 1.00 0.00 C ATOM 809 C ILE A 50 4.187 -0.527 0.680 1.00 0.00 C ATOM 810 O ILE A 50 3.476 -0.232 -0.276 1.00 0.00 O ATOM 811 CB ILE A 50 5.037 -2.869 0.527 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.719 -4.341 0.829 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.485 -2.555 0.870 1.00 0.00 C ATOM 814 CD1 ILE A 50 4.925 -4.744 2.273 1.00 0.00 C ATOM 0 H ILE A 50 2.453 -2.849 0.390 1.00 0.00 H new ATOM 0 HA ILE A 50 4.404 -1.909 2.343 1.00 0.00 H new ATOM 0 HB ILE A 50 4.882 -2.710 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.683 -4.540 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.344 -4.972 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.143 -3.229 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.709 -1.525 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.642 -2.685 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.677 -5.798 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.966 -4.581 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.280 -4.143 2.914 1.00 0.00 H new ATOM 826 N ILE A 51 5.037 0.330 1.226 1.00 0.00 N ATOM 827 CA ILE A 51 5.194 1.674 0.679 1.00 0.00 C ATOM 828 C ILE A 51 6.657 1.978 0.397 1.00 0.00 C ATOM 829 O ILE A 51 7.552 1.253 0.843 1.00 0.00 O ATOM 830 CB ILE A 51 4.649 2.769 1.626 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.505 2.858 2.893 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.191 2.501 1.981 1.00 0.00 C ATOM 833 CD1 ILE A 51 5.159 4.031 3.785 1.00 0.00 C ATOM 0 H ILE A 51 5.622 0.125 2.036 1.00 0.00 H new ATOM 0 HA ILE A 51 4.615 1.689 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 51 4.701 3.726 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.391 1.935 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.554 2.929 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.829 3.284 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.591 2.493 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.109 1.534 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.808 4.026 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.300 4.961 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.119 3.952 4.103 1.00 0.00 H new ATOM 845 N HIS A 52 6.878 3.046 -0.357 1.00 0.00 N ATOM 846 CA HIS A 52 8.213 3.580 -0.587 1.00 0.00 C ATOM 847 C HIS A 52 8.813 4.055 0.743 1.00 0.00 C ATOM 848 O HIS A 52 8.097 4.590 1.591 1.00 0.00 O ATOM 849 CB HIS A 52 8.122 4.750 -1.592 1.00 0.00 C ATOM 850 CG HIS A 52 9.415 5.467 -1.862 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.025 6.276 -0.937 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.201 5.505 -2.964 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.127 6.785 -1.445 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.264 6.338 -2.682 1.00 0.00 N ATOM 0 H HIS A 52 6.137 3.566 -0.826 1.00 0.00 H new ATOM 0 HA HIS A 52 8.859 2.806 -1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.734 4.367 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.396 5.472 -1.219 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.676 6.456 0.004 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.028 4.980 -3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.805 7.455 -0.937 1.00 0.00 H new ATOM 863 N PRO A 53 10.128 3.847 0.952 1.00 0.00 N ATOM 864 CA PRO A 53 10.841 4.355 2.137 1.00 0.00 C ATOM 865 C PRO A 53 10.737 5.881 2.290 1.00 0.00 C ATOM 866 O PRO A 53 9.932 6.529 1.621 1.00 0.00 O ATOM 867 CB PRO A 53 12.299 3.963 1.896 1.00 0.00 C ATOM 868 CG PRO A 53 12.293 2.932 0.819 1.00 0.00 C ATOM 869 CD PRO A 53 11.000 3.065 0.064 1.00 0.00 C ATOM 0 HA PRO A 53 10.415 3.940 3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.889 4.830 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.749 3.569 2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.142 3.073 0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.385 1.933 1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.149 3.570 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.568 2.089 -0.156 1.00 0.00 H new ATOM 877 N ARG A 54 11.565 6.449 3.169 1.00 0.00 N ATOM 878 CA ARG A 54 11.560 7.892 3.457 1.00 0.00 C ATOM 879 C ARG A 54 10.309 8.324 4.235 1.00 0.00 C ATOM 880 O ARG A 54 10.394 9.091 5.193 1.00 0.00 O ATOM 881 CB ARG A 54 11.688 8.723 2.172 1.00 0.00 C ATOM 882 CG ARG A 54 11.397 10.202 2.375 1.00 0.00 C ATOM 883 CD ARG A 54 11.516 10.983 1.081 1.00 0.00 C ATOM 884 NE ARG A 54 12.902 11.275 0.730 1.00 0.00 N ATOM 885 CZ ARG A 54 13.272 11.812 -0.433 1.00 0.00 C ATOM 886 NH1 ARG A 54 12.359 12.085 -1.362 1.00 0.00 N ATOM 887 NH2 ARG A 54 14.548 12.092 -0.661 1.00 0.00 N ATOM 0 H ARG A 54 12.259 5.926 3.703 1.00 0.00 H new ATOM 0 HA ARG A 54 12.430 8.081 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.697 8.610 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.004 8.326 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.393 10.322 2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.089 10.611 3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.052 10.416 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.963 11.918 1.172 1.00 0.00 H new ATOM 0 HE ARG A 54 13.628 11.056 1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.375 11.883 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.643 12.496 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.249 11.897 0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.829 12.503 -1.551 1.00 0.00 H new ATOM 901 N LEU A 55 9.154 7.821 3.825 1.00 0.00 N ATOM 902 CA LEU A 55 7.880 8.210 4.413 1.00 0.00 C ATOM 903 C LEU A 55 7.523 7.383 5.641 1.00 0.00 C ATOM 904 O LEU A 55 6.399 7.457 6.117 1.00 0.00 O ATOM 905 CB LEU A 55 6.768 8.065 3.373 1.00 0.00 C ATOM 906 CG LEU A 55 6.573 9.269 2.455 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.593 8.935 1.341 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.077 10.459 3.261 1.00 0.00 C ATOM 0 H LEU A 55 9.073 7.133 3.077 1.00 0.00 H new ATOM 0 HA LEU A 55 7.979 9.248 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.980 7.190 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.830 7.869 3.893 1.00 0.00 H new ATOM 0 HG LEU A 55 7.531 9.525 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.465 9.804 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.979 8.101 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.631 8.660 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.940 11.315 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.126 10.209 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.808 10.708 4.030 1.00 0.00 H new ATOM 920 N LYS A 56 8.474 6.618 6.163 1.00 0.00 N ATOM 921 CA LYS A 56 8.179 5.702 7.262 1.00 0.00 C ATOM 922 C LYS A 56 7.661 6.454 8.488 1.00 0.00 C ATOM 923 O LYS A 56 6.623 6.093 9.042 1.00 0.00 O ATOM 924 CB LYS A 56 9.403 4.865 7.631 1.00 0.00 C ATOM 925 CG LYS A 56 9.054 3.682 8.523 1.00 0.00 C ATOM 926 CD LYS A 56 10.266 2.819 8.837 1.00 0.00 C ATOM 927 CE LYS A 56 11.235 3.517 9.777 1.00 0.00 C ATOM 928 NZ LYS A 56 12.384 2.643 10.131 1.00 0.00 N ATOM 0 H LYS A 56 9.445 6.611 5.849 1.00 0.00 H new ATOM 0 HA LYS A 56 7.395 5.027 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.878 4.501 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.131 5.497 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.620 4.047 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.294 3.073 8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.937 1.882 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.780 2.565 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.603 4.430 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.711 3.814 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.023 3.153 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.035 1.784 10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.899 2.380 9.267 1.00 0.00 H new ATOM 942 N ASP A 57 8.374 7.503 8.895 1.00 0.00 N ATOM 943 CA ASP A 57 7.971 8.312 10.056 1.00 0.00 C ATOM 944 C ASP A 57 6.598 8.947 9.825 1.00 0.00 C ATOM 945 O ASP A 57 5.683 8.792 10.639 1.00 0.00 O ATOM 946 CB ASP A 57 9.009 9.404 10.338 1.00 0.00 C ATOM 947 CG ASP A 57 8.706 10.196 11.600 1.00 0.00 C ATOM 948 OD1 ASP A 57 7.883 11.136 11.546 1.00 0.00 O ATOM 949 OD2 ASP A 57 9.309 9.897 12.652 1.00 0.00 O ATOM 0 H ASP A 57 9.233 7.816 8.442 1.00 0.00 H new ATOM 0 HA ASP A 57 7.909 7.651 10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.994 8.947 10.430 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.052 10.086 9.489 1.00 0.00 H new ATOM 954 N ARG A 58 6.466 9.651 8.703 1.00 0.00 N ATOM 955 CA ARG A 58 5.202 10.271 8.306 1.00 0.00 C ATOM 956 C ARG A 58 4.069 9.241 8.320 1.00 0.00 C ATOM 957 O ARG A 58 2.992 9.486 8.865 1.00 0.00 O ATOM 958 CB ARG A 58 5.364 10.875 6.905 1.00 0.00 C ATOM 959 CG ARG A 58 4.109 11.513 6.326 1.00 0.00 C ATOM 960 CD ARG A 58 3.691 12.759 7.087 1.00 0.00 C ATOM 961 NE ARG A 58 2.682 13.523 6.353 1.00 0.00 N ATOM 962 CZ ARG A 58 1.661 14.162 6.925 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.499 14.112 8.242 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.809 14.855 6.179 1.00 0.00 N ATOM 0 H ARG A 58 7.229 9.808 8.045 1.00 0.00 H new ATOM 0 HA ARG A 58 4.945 11.058 9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.152 11.627 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.701 10.092 6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.284 11.770 5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.295 10.789 6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.296 12.475 8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.564 13.386 7.267 1.00 0.00 H new ATOM 0 HE ARG A 58 2.765 13.570 5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.156 13.584 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.718 14.601 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.935 14.899 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.028 15.344 6.617 1.00 0.00 H new ATOM 978 N SER A 59 4.337 8.094 7.717 1.00 0.00 N ATOM 979 CA SER A 59 3.392 6.992 7.656 1.00 0.00 C ATOM 980 C SER A 59 3.014 6.477 9.049 1.00 0.00 C ATOM 981 O SER A 59 1.829 6.339 9.354 1.00 0.00 O ATOM 982 CB SER A 59 3.984 5.870 6.790 1.00 0.00 C ATOM 983 OG SER A 59 3.268 4.657 6.925 1.00 0.00 O ATOM 0 H SER A 59 5.224 7.901 7.252 1.00 0.00 H new ATOM 0 HA SER A 59 2.469 7.353 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.979 6.179 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.025 5.709 7.069 1.00 0.00 H new ATOM 0 HG SER A 59 2.324 4.852 7.099 1.00 0.00 H new ATOM 989 N SER A 60 4.012 6.192 9.891 1.00 0.00 N ATOM 990 CA SER A 60 3.759 5.650 11.228 1.00 0.00 C ATOM 991 C SER A 60 2.923 6.606 12.083 1.00 0.00 C ATOM 992 O SER A 60 2.207 6.178 12.992 1.00 0.00 O ATOM 993 CB SER A 60 5.078 5.305 11.927 1.00 0.00 C ATOM 994 OG SER A 60 5.992 6.388 11.885 1.00 0.00 O ATOM 0 H SER A 60 4.999 6.327 9.671 1.00 0.00 H new ATOM 0 HA SER A 60 3.179 4.735 11.107 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.880 5.035 12.964 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.525 4.433 11.451 1.00 0.00 H new ATOM 0 HG SER A 60 5.555 7.169 11.487 1.00 0.00 H new ATOM 1000 N SER A 61 3.010 7.897 11.777 1.00 0.00 N ATOM 1001 CA SER A 61 2.228 8.911 12.474 1.00 0.00 C ATOM 1002 C SER A 61 0.736 8.713 12.202 1.00 0.00 C ATOM 1003 O SER A 61 -0.111 9.113 13.001 1.00 0.00 O ATOM 1004 CB SER A 61 2.670 10.312 12.034 1.00 0.00 C ATOM 1005 OG SER A 61 1.978 11.330 12.744 1.00 0.00 O ATOM 0 H SER A 61 3.618 8.266 11.046 1.00 0.00 H new ATOM 0 HA SER A 61 2.400 8.810 13.546 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.743 10.422 12.194 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.493 10.430 10.965 1.00 0.00 H new ATOM 0 HG SER A 61 2.286 12.209 12.439 1.00 0.00 H new ATOM 1011 N LEU A 62 0.428 8.092 11.070 1.00 0.00 N ATOM 1012 CA LEU A 62 -0.949 7.804 10.702 1.00 0.00 C ATOM 1013 C LEU A 62 -1.300 6.374 11.082 1.00 0.00 C ATOM 1014 O LEU A 62 -2.283 6.124 11.781 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.153 8.015 9.201 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.842 9.422 8.702 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.043 9.509 7.199 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -1.718 10.435 9.415 1.00 0.00 C ATOM 0 H LEU A 62 1.119 7.777 10.389 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.606 8.486 11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.525 7.307 8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.188 7.778 8.953 1.00 0.00 H new ATOM 0 HG LEU A 62 0.201 9.648 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.817 10.520 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.379 8.802 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.078 9.268 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.487 11.436 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.767 10.211 9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.530 10.387 10.488 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.478 5.442 10.629 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.651 4.039 10.955 1.00 0.00 C ATOM 1032 C ALA A 63 0.700 3.349 10.983 1.00 0.00 C ATOM 1033 O ALA A 63 1.412 3.318 9.975 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.583 3.363 9.965 1.00 0.00 C ATOM 0 H ALA A 63 0.323 5.636 10.028 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.106 3.962 11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.696 2.312 10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.557 3.851 9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.165 3.440 8.961 1.00 0.00 H new ATOM 1040 N ASP A 64 1.042 2.811 12.140 1.00 0.00 N ATOM 1041 CA ASP A 64 2.349 2.208 12.368 1.00 0.00 C ATOM 1042 C ASP A 64 2.578 1.002 11.461 1.00 0.00 C ATOM 1043 O ASP A 64 1.631 0.329 11.046 1.00 0.00 O ATOM 1044 CB ASP A 64 2.483 1.794 13.836 1.00 0.00 C ATOM 1045 CG ASP A 64 1.557 0.652 14.223 1.00 0.00 C ATOM 1046 OD1 ASP A 64 0.321 0.801 14.087 1.00 0.00 O ATOM 1047 OD2 ASP A 64 2.060 -0.385 14.700 1.00 0.00 O ATOM 0 H ASP A 64 0.423 2.778 12.950 1.00 0.00 H new ATOM 0 HA ASP A 64 3.108 2.953 12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.514 1.499 14.031 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.272 2.655 14.470 1.00 0.00 H new ATOM 1052 N PRO A 65 3.848 0.731 11.123 1.00 0.00 N ATOM 1053 CA PRO A 65 4.222 -0.425 10.310 1.00 0.00 C ATOM 1054 C PRO A 65 3.859 -1.734 11.000 1.00 0.00 C ATOM 1055 O PRO A 65 3.969 -1.855 12.219 1.00 0.00 O ATOM 1056 CB PRO A 65 5.745 -0.299 10.163 1.00 0.00 C ATOM 1057 CG PRO A 65 6.059 1.116 10.515 1.00 0.00 C ATOM 1058 CD PRO A 65 5.020 1.528 11.515 1.00 0.00 C ATOM 0 HA PRO A 65 3.700 -0.439 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.263 -0.993 10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.063 -0.531 9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.061 1.201 10.935 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.027 1.755 9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.333 1.309 12.536 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.815 2.597 11.467 1.00 0.00 H new ATOM 1066 N ALA A 66 3.415 -2.706 10.215 1.00 0.00 N ATOM 1067 CA ALA A 66 3.013 -3.998 10.754 1.00 0.00 C ATOM 1068 C ALA A 66 4.228 -4.791 11.208 1.00 0.00 C ATOM 1069 O ALA A 66 4.159 -5.586 12.141 1.00 0.00 O ATOM 1070 CB ALA A 66 2.224 -4.776 9.716 1.00 0.00 C ATOM 0 H ALA A 66 3.324 -2.624 9.202 1.00 0.00 H new ATOM 0 HA ALA A 66 2.375 -3.829 11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.929 -5.740 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.333 -4.212 9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.843 -4.935 8.833 1.00 0.00 H new ATOM 1076 N SER A 67 5.341 -4.557 10.543 1.00 0.00 N ATOM 1077 CA SER A 67 6.585 -5.222 10.868 1.00 0.00 C ATOM 1078 C SER A 67 7.719 -4.218 10.732 1.00 0.00 C ATOM 1079 O SER A 67 7.475 -3.013 10.663 1.00 0.00 O ATOM 1080 CB SER A 67 6.796 -6.422 9.932 1.00 0.00 C ATOM 1081 OG SER A 67 7.906 -7.214 10.324 1.00 0.00 O ATOM 0 H SER A 67 5.408 -3.902 9.764 1.00 0.00 H new ATOM 0 HA SER A 67 6.559 -5.597 11.891 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.897 -7.038 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.947 -6.065 8.913 1.00 0.00 H new ATOM 0 HG SER A 67 8.001 -7.184 11.299 1.00 0.00 H new ATOM 1087 N ASP A 68 8.943 -4.708 10.696 1.00 0.00 N ATOM 1088 CA ASP A 68 10.094 -3.852 10.490 1.00 0.00 C ATOM 1089 C ASP A 68 10.137 -3.394 9.042 1.00 0.00 C ATOM 1090 O ASP A 68 9.741 -2.275 8.716 1.00 0.00 O ATOM 1091 CB ASP A 68 11.385 -4.592 10.840 1.00 0.00 C ATOM 1092 CG ASP A 68 11.600 -4.730 12.331 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.994 -3.734 12.970 1.00 0.00 O ATOM 1094 OD2 ASP A 68 11.401 -5.839 12.869 1.00 0.00 O ATOM 0 H ASP A 68 9.166 -5.697 10.807 1.00 0.00 H new ATOM 0 HA ASP A 68 10.006 -2.984 11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.363 -5.584 10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.231 -4.062 10.404 1.00 0.00 H new ATOM 1099 N ILE A 69 10.605 -4.289 8.185 1.00 0.00 N ATOM 1100 CA ILE A 69 10.658 -4.071 6.746 1.00 0.00 C ATOM 1101 C ILE A 69 10.586 -5.420 6.049 1.00 0.00 C ATOM 1102 O ILE A 69 10.984 -6.432 6.626 1.00 0.00 O ATOM 1103 CB ILE A 69 11.959 -3.358 6.299 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.183 -4.064 6.891 1.00 0.00 C ATOM 1105 CG2 ILE A 69 11.943 -1.885 6.688 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.504 -3.479 6.440 1.00 0.00 C ATOM 0 H ILE A 69 10.964 -5.200 8.473 1.00 0.00 H new ATOM 0 HA ILE A 69 9.818 -3.430 6.478 1.00 0.00 H new ATOM 0 HB ILE A 69 12.019 -3.412 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.128 -4.016 7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.151 -5.118 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.869 -1.412 6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.096 -1.392 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.853 -1.796 7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.323 -4.031 6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.583 -3.551 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.559 -2.432 6.739 1.00 0.00 H new ATOM 1118 N LYS A 70 10.064 -5.452 4.835 1.00 0.00 N ATOM 1119 CA LYS A 70 10.076 -6.685 4.066 1.00 0.00 C ATOM 1120 C LYS A 70 11.234 -6.680 3.084 1.00 0.00 C ATOM 1121 O LYS A 70 11.243 -5.918 2.117 1.00 0.00 O ATOM 1122 CB LYS A 70 8.754 -6.926 3.331 1.00 0.00 C ATOM 1123 CG LYS A 70 8.830 -8.096 2.360 1.00 0.00 C ATOM 1124 CD LYS A 70 7.462 -8.668 2.027 1.00 0.00 C ATOM 1125 CE LYS A 70 7.573 -9.730 0.944 1.00 0.00 C ATOM 1126 NZ LYS A 70 6.356 -10.576 0.855 1.00 0.00 N ATOM 0 H LYS A 70 9.634 -4.654 4.367 1.00 0.00 H new ATOM 0 HA LYS A 70 10.204 -7.506 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.966 -7.114 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.475 -6.024 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.317 -7.770 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.453 -8.880 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.015 -9.100 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.800 -7.869 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.748 -9.248 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.438 -10.362 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.204 -10.862 -0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.478 -11.423 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.533 -10.036 1.190 1.00 0.00 H new ATOM 1140 N THR A 71 12.214 -7.517 3.367 1.00 0.00 N ATOM 1141 CA THR A 71 13.370 -7.674 2.513 1.00 0.00 C ATOM 1142 C THR A 71 13.128 -8.761 1.465 1.00 0.00 C ATOM 1143 O THR A 71 12.873 -9.919 1.804 1.00 0.00 O ATOM 1144 CB THR A 71 14.604 -8.013 3.364 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.213 -8.784 4.511 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.318 -6.745 3.810 1.00 0.00 C ATOM 0 H THR A 71 12.228 -8.108 4.198 1.00 0.00 H new ATOM 0 HA THR A 71 13.547 -6.735 1.989 1.00 0.00 H new ATOM 0 HB THR A 71 15.291 -8.599 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.005 -8.997 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.188 -7.010 4.411 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.640 -6.181 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.638 -6.135 4.405 1.00 0.00 H new ATOM 1154 N CYS A 72 13.206 -8.372 0.196 1.00 0.00 N ATOM 1155 CA CYS A 72 12.891 -9.258 -0.920 1.00 0.00 C ATOM 1156 C CYS A 72 13.092 -8.509 -2.234 1.00 0.00 C ATOM 1157 O CYS A 72 12.823 -7.307 -2.314 1.00 0.00 O ATOM 1158 CB CYS A 72 11.444 -9.757 -0.813 1.00 0.00 C ATOM 1159 SG CYS A 72 10.987 -10.999 -2.045 1.00 0.00 S ATOM 0 H CYS A 72 13.489 -7.434 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 72 13.556 -10.121 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.290 -10.176 0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.771 -8.905 -0.908 1.00 0.00 H new ATOM 0 HG CYS A 72 9.749 -11.353 -1.865 1.00 0.00 H new ATOM 1165 N ASP A 73 13.557 -9.207 -3.267 1.00 0.00 N ATOM 1166 CA ASP A 73 13.871 -8.564 -4.544 1.00 0.00 C ATOM 1167 C ASP A 73 12.599 -8.244 -5.330 1.00 0.00 C ATOM 1168 O ASP A 73 12.280 -8.888 -6.330 1.00 0.00 O ATOM 1169 CB ASP A 73 14.807 -9.432 -5.390 1.00 0.00 C ATOM 1170 CG ASP A 73 15.518 -8.641 -6.478 1.00 0.00 C ATOM 1171 OD1 ASP A 73 14.842 -7.970 -7.286 1.00 0.00 O ATOM 1172 OD2 ASP A 73 16.767 -8.678 -6.524 1.00 0.00 O ATOM 0 H ASP A 73 13.725 -10.213 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 73 14.382 -7.629 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 73 15.549 -9.898 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.233 -10.238 -5.848 1.00 0.00 H new ATOM 1177 N HIS A 74 11.855 -7.278 -4.820 1.00 0.00 N ATOM 1178 CA HIS A 74 10.693 -6.720 -5.509 1.00 0.00 C ATOM 1179 C HIS A 74 10.630 -5.223 -5.253 1.00 0.00 C ATOM 1180 O HIS A 74 10.338 -4.435 -6.149 1.00 0.00 O ATOM 1181 CB HIS A 74 9.375 -7.356 -5.040 1.00 0.00 C ATOM 1182 CG HIS A 74 9.192 -8.789 -5.428 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.382 -9.193 -6.469 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.690 -9.920 -4.884 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.392 -10.512 -6.543 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.179 -10.978 -5.590 1.00 0.00 N ATOM 0 H HIS A 74 12.037 -6.853 -3.911 1.00 0.00 H new ATOM 0 HA HIS A 74 10.810 -6.933 -6.572 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.318 -7.279 -3.954 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.545 -6.777 -5.445 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.368 -9.980 -4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.849 -11.108 -7.261 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.374 -11.963 -5.409 1.00 0.00 H new ATOM 1195 N TYR A 75 10.916 -4.843 -4.015 1.00 0.00 N ATOM 1196 CA TYR A 75 10.833 -3.456 -3.599 1.00 0.00 C ATOM 1197 C TYR A 75 12.220 -2.828 -3.585 1.00 0.00 C ATOM 1198 O TYR A 75 12.817 -2.646 -2.527 1.00 0.00 O ATOM 1199 CB TYR A 75 10.205 -3.363 -2.203 1.00 0.00 C ATOM 1200 CG TYR A 75 9.165 -4.429 -1.938 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.874 -4.310 -2.431 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.485 -5.571 -1.211 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.930 -5.293 -2.206 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.548 -6.559 -0.986 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.271 -6.416 -1.485 1.00 0.00 C ATOM 1206 OH TYR A 75 6.337 -7.403 -1.272 1.00 0.00 O ATOM 0 H TYR A 75 11.210 -5.485 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 75 10.207 -2.914 -4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.992 -3.440 -1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.746 -2.381 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.602 -3.434 -3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.484 -5.686 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.928 -5.181 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.814 -7.440 -0.421 1.00 0.00 H new ATOM 0 HH TYR A 75 5.901 -7.630 -2.120 1.00 0.00 H new ATOM 1216 N GLN A 76 12.751 -2.533 -4.761 1.00 0.00 N ATOM 1217 CA GLN A 76 14.053 -1.908 -4.854 1.00 0.00 C ATOM 1218 C GLN A 76 13.936 -0.413 -4.610 1.00 0.00 C ATOM 1219 O GLN A 76 14.746 0.168 -3.885 1.00 0.00 O ATOM 1220 CB GLN A 76 14.700 -2.203 -6.210 1.00 0.00 C ATOM 1221 CG GLN A 76 13.789 -1.987 -7.409 1.00 0.00 C ATOM 1222 CD GLN A 76 14.426 -2.441 -8.709 1.00 0.00 C ATOM 1223 OE1 GLN A 76 15.646 -2.388 -8.869 1.00 0.00 O ATOM 1224 NE2 GLN A 76 13.607 -2.895 -9.643 1.00 0.00 N ATOM 0 H GLN A 76 12.301 -2.717 -5.658 1.00 0.00 H new ATOM 0 HA GLN A 76 14.699 -2.327 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.581 -1.571 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 76 15.046 -3.237 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.856 -2.530 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.534 -0.930 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.602 -2.922 -9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.980 -3.218 -10.536 1.00 0.00 H new ATOM 1233 N ASN A 77 12.894 0.184 -5.187 1.00 0.00 N ATOM 1234 CA ASN A 77 12.607 1.608 -5.036 1.00 0.00 C ATOM 1235 C ASN A 77 13.750 2.462 -5.568 1.00 0.00 C ATOM 1236 O ASN A 77 13.795 2.792 -6.750 1.00 0.00 O ATOM 1237 CB ASN A 77 12.323 1.972 -3.569 1.00 0.00 C ATOM 1238 CG ASN A 77 11.024 1.388 -3.045 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.967 2.010 -3.146 1.00 0.00 O ATOM 1240 ND2 ASN A 77 11.093 0.200 -2.461 1.00 0.00 N ATOM 0 H ASN A 77 12.223 -0.310 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 77 11.713 1.816 -5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.147 1.620 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.291 3.057 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.251 -0.229 -2.076 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.988 -0.285 -2.396 1.00 0.00 H new ATOM 1247 N PHE A 78 14.687 2.774 -4.684 1.00 0.00 N ATOM 1248 CA PHE A 78 15.786 3.687 -4.976 1.00 0.00 C ATOM 1249 C PHE A 78 16.981 3.445 -4.045 1.00 0.00 C ATOM 1250 O PHE A 78 18.106 3.298 -4.516 1.00 0.00 O ATOM 1251 CB PHE A 78 15.344 5.157 -4.853 1.00 0.00 C ATOM 1252 CG PHE A 78 14.538 5.665 -6.014 1.00 0.00 C ATOM 1253 CD1 PHE A 78 15.152 5.965 -7.218 1.00 0.00 C ATOM 1254 CD2 PHE A 78 13.169 5.842 -5.901 1.00 0.00 C ATOM 1255 CE1 PHE A 78 14.417 6.432 -8.290 1.00 0.00 C ATOM 1256 CE2 PHE A 78 12.425 6.308 -6.970 1.00 0.00 C ATOM 1257 CZ PHE A 78 13.051 6.603 -8.166 1.00 0.00 C ATOM 0 H PHE A 78 14.707 2.398 -3.736 1.00 0.00 H new ATOM 0 HA PHE A 78 16.089 3.489 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.757 5.271 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 78 16.230 5.781 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 78 16.219 5.832 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.677 5.614 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.909 6.663 -9.223 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.358 6.441 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.474 6.967 -9.003 1.00 0.00 H new ATOM 1267 N PRO A 79 16.766 3.398 -2.708 1.00 0.00 N ATOM 1268 CA PRO A 79 17.863 3.377 -1.744 1.00 0.00 C ATOM 1269 C PRO A 79 18.512 2.005 -1.574 1.00 0.00 C ATOM 1270 O PRO A 79 19.740 1.897 -1.578 1.00 0.00 O ATOM 1271 CB PRO A 79 17.199 3.818 -0.424 1.00 0.00 C ATOM 1272 CG PRO A 79 15.765 4.106 -0.751 1.00 0.00 C ATOM 1273 CD PRO A 79 15.471 3.370 -2.018 1.00 0.00 C ATOM 0 HA PRO A 79 18.678 4.021 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.276 3.035 0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.690 4.702 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.108 3.775 0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.601 5.176 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 79 15.135 2.351 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.690 3.859 -2.600 1.00 0.00 H new ATOM 1281 N LEU A 80 17.677 0.969 -1.439 1.00 0.00 N ATOM 1282 CA LEU A 80 18.128 -0.360 -0.996 1.00 0.00 C ATOM 1283 C LEU A 80 18.594 -0.271 0.457 1.00 0.00 C ATOM 1284 O LEU A 80 19.173 0.731 0.875 1.00 0.00 O ATOM 1285 CB LEU A 80 19.241 -0.909 -1.902 1.00 0.00 C ATOM 1286 CG LEU A 80 18.953 -2.252 -2.567 1.00 0.00 C ATOM 1287 CD1 LEU A 80 20.059 -2.605 -3.550 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.819 -3.334 -1.520 1.00 0.00 C ATOM 0 H LEU A 80 16.677 1.024 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 80 17.293 -1.058 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.444 -0.175 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.151 -1.006 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 80 18.014 -2.175 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.839 -3.566 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.122 -1.835 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.010 -2.668 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.614 -4.288 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.747 -3.408 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.000 -3.087 -0.845 1.00 0.00 H new ATOM 1300 N TYR A 81 18.314 -1.301 1.239 1.00 0.00 N ATOM 1301 CA TYR A 81 18.621 -1.266 2.660 1.00 0.00 C ATOM 1302 C TYR A 81 20.119 -1.089 2.883 1.00 0.00 C ATOM 1303 O TYR A 81 20.932 -1.545 2.084 1.00 0.00 O ATOM 1304 CB TYR A 81 18.124 -2.545 3.338 1.00 0.00 C ATOM 1305 CG TYR A 81 18.041 -2.444 4.845 1.00 0.00 C ATOM 1306 CD1 TYR A 81 17.774 -1.228 5.467 1.00 0.00 C ATOM 1307 CD2 TYR A 81 18.215 -3.563 5.646 1.00 0.00 C ATOM 1308 CE1 TYR A 81 17.679 -1.134 6.842 1.00 0.00 C ATOM 1309 CE2 TYR A 81 18.125 -3.475 7.022 1.00 0.00 C ATOM 1310 CZ TYR A 81 17.856 -2.258 7.614 1.00 0.00 C ATOM 1311 OH TYR A 81 17.746 -2.169 8.984 1.00 0.00 O ATOM 0 H TYR A 81 17.878 -2.165 0.917 1.00 0.00 H new ATOM 0 HA TYR A 81 18.109 -0.413 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.138 -2.794 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.789 -3.367 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.639 -0.342 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.424 -4.518 5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 81 17.467 -0.183 7.308 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.265 -4.355 7.632 1.00 0.00 H new ATOM 0 HH TYR A 81 17.898 -3.051 9.382 1.00 0.00 H new ATOM 1401 N GLU A 88 19.537 -5.697 0.469 1.00 0.00 N ATOM 1402 CA GLU A 88 18.364 -6.559 0.311 1.00 0.00 C ATOM 1403 C GLU A 88 17.144 -5.667 0.193 1.00 0.00 C ATOM 1404 O GLU A 88 16.791 -4.936 1.119 1.00 0.00 O ATOM 1405 CB GLU A 88 18.203 -7.624 1.403 1.00 0.00 C ATOM 1406 CG GLU A 88 17.092 -8.615 1.094 1.00 0.00 C ATOM 1407 CD GLU A 88 17.171 -9.878 1.930 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.088 -9.792 3.170 1.00 0.00 O ATOM 1409 OE2 GLU A 88 17.303 -10.971 1.341 1.00 0.00 O ATOM 0 HA GLU A 88 18.497 -7.149 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.143 -8.163 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.994 -7.135 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.128 -8.135 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.135 -8.882 0.038 1.00 0.00 H new ATOM 1416 N HIS A 89 16.556 -5.696 -0.998 1.00 0.00 N ATOM 1417 CA HIS A 89 15.518 -4.745 -1.404 1.00 0.00 C ATOM 1418 C HIS A 89 14.392 -4.740 -0.370 1.00 0.00 C ATOM 1419 O HIS A 89 13.824 -5.786 -0.080 1.00 0.00 O ATOM 1420 CB HIS A 89 14.964 -5.125 -2.792 1.00 0.00 C ATOM 1421 CG HIS A 89 16.002 -5.235 -3.880 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.716 -5.065 -5.215 1.00 0.00 N ATOM 1423 CD2 HIS A 89 17.326 -5.516 -3.823 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.816 -5.233 -5.925 1.00 0.00 C ATOM 1425 NE2 HIS A 89 17.809 -5.509 -5.106 1.00 0.00 N ATOM 0 H HIS A 89 16.785 -6.383 -1.716 1.00 0.00 H new ATOM 0 HA HIS A 89 15.951 -3.747 -1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.442 -6.078 -2.710 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.225 -4.381 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 89 17.898 -5.711 -2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.889 -5.157 -7.000 1.00 0.00 H new ATOM 0 HE2 HIS A 89 18.775 -5.688 -5.380 1.00 0.00 H new ATOM 1434 N TYR A 90 14.072 -3.580 0.189 1.00 0.00 N ATOM 1435 CA TYR A 90 13.166 -3.536 1.329 1.00 0.00 C ATOM 1436 C TYR A 90 12.026 -2.549 1.117 1.00 0.00 C ATOM 1437 O TYR A 90 12.146 -1.585 0.356 1.00 0.00 O ATOM 1438 CB TYR A 90 13.935 -3.168 2.606 1.00 0.00 C ATOM 1439 CG TYR A 90 14.222 -1.683 2.758 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.108 -1.023 1.913 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.604 -0.943 3.759 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.369 0.328 2.065 1.00 0.00 C ATOM 1443 CE2 TYR A 90 13.859 0.408 3.916 1.00 0.00 C ATOM 1444 CZ TYR A 90 14.742 1.037 3.067 1.00 0.00 C ATOM 1445 OH TYR A 90 15.003 2.382 3.225 1.00 0.00 O ATOM 0 H TYR A 90 14.419 -2.672 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 90 12.732 -4.531 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.363 -3.506 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.880 -3.712 2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.601 -1.574 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.911 -1.432 4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.061 0.824 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.368 0.966 4.700 1.00 0.00 H new ATOM 0 HH TYR A 90 14.479 2.731 3.976 1.00 0.00 H new ATOM 1455 N GLY A 91 10.924 -2.809 1.803 1.00 0.00 N ATOM 1456 CA GLY A 91 9.806 -1.893 1.833 1.00 0.00 C ATOM 1457 C GLY A 91 9.100 -1.960 3.172 1.00 0.00 C ATOM 1458 O GLY A 91 9.200 -2.972 3.868 1.00 0.00 O ATOM 0 H GLY A 91 10.784 -3.658 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.156 -0.877 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.106 -2.138 1.034 1.00 0.00 H new ATOM 1462 N ILE A 92 8.393 -0.903 3.540 1.00 0.00 N ATOM 1463 CA ILE A 92 7.738 -0.850 4.844 1.00 0.00 C ATOM 1464 C ILE A 92 6.321 -1.428 4.761 1.00 0.00 C ATOM 1465 O ILE A 92 5.469 -0.910 4.036 1.00 0.00 O ATOM 1466 CB ILE A 92 7.677 0.593 5.414 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.070 1.240 5.463 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.067 0.589 6.808 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.529 1.834 4.150 1.00 0.00 C ATOM 0 H ILE A 92 8.257 -0.074 2.961 1.00 0.00 H new ATOM 0 HA ILE A 92 8.341 -1.454 5.523 1.00 0.00 H new ATOM 0 HB ILE A 92 7.049 1.182 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.067 2.023 6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.794 0.491 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.032 1.608 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.056 0.183 6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.675 -0.028 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.521 2.269 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.568 1.053 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.829 2.609 3.837 1.00 0.00 H new ATOM 1481 N PRO A 93 6.059 -2.516 5.510 1.00 0.00 N ATOM 1482 CA PRO A 93 4.770 -3.214 5.493 1.00 0.00 C ATOM 1483 C PRO A 93 3.710 -2.559 6.386 1.00 0.00 C ATOM 1484 O PRO A 93 4.013 -2.058 7.471 1.00 0.00 O ATOM 1485 CB PRO A 93 5.132 -4.598 6.028 1.00 0.00 C ATOM 1486 CG PRO A 93 6.275 -4.360 6.954 1.00 0.00 C ATOM 1487 CD PRO A 93 7.017 -3.156 6.430 1.00 0.00 C ATOM 0 HA PRO A 93 4.323 -3.211 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.290 -5.054 6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.411 -5.274 5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.920 -4.183 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.929 -5.231 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.305 -2.483 7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.933 -3.445 5.914 1.00 0.00 H new ATOM 1495 N HIS A 94 2.465 -2.569 5.920 1.00 0.00 N ATOM 1496 CA HIS A 94 1.346 -1.997 6.667 1.00 0.00 C ATOM 1497 C HIS A 94 0.122 -2.888 6.545 1.00 0.00 C ATOM 1498 O HIS A 94 0.118 -3.844 5.767 1.00 0.00 O ATOM 1499 CB HIS A 94 0.985 -0.601 6.146 1.00 0.00 C ATOM 1500 CG HIS A 94 2.092 0.395 6.249 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.108 0.473 5.328 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.346 1.351 7.171 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.940 1.428 5.677 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.503 1.986 6.792 1.00 0.00 N ATOM 0 H HIS A 94 2.203 -2.971 5.020 1.00 0.00 H new ATOM 0 HA HIS A 94 1.655 -1.922 7.710 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.680 -0.682 5.103 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.124 -0.229 6.702 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.750 1.574 8.043 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.834 1.710 5.141 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.949 2.758 7.287 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.927 -2.531 7.269 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.153 -3.295 7.245 1.00 0.00 C ATOM 1515 C GLY A 95 -3.225 -2.633 8.082 1.00 0.00 C ATOM 1516 O GLY A 95 -2.923 -1.817 8.957 1.00 0.00 O ATOM 0 H GLY A 95 -0.949 -1.715 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.501 -3.397 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.965 -4.301 7.619 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.471 -2.972 7.799 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.613 -2.312 8.416 1.00 0.00 C ATOM 1522 C PHE A 96 -6.683 -3.345 8.757 1.00 0.00 C ATOM 1523 O PHE A 96 -6.372 -4.509 9.000 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.179 -1.248 7.461 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.187 -0.185 7.080 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -5.056 0.962 7.845 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.381 -0.336 5.962 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -4.142 1.938 7.504 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.465 0.638 5.617 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.345 1.775 6.389 1.00 0.00 C ATOM 0 H PHE A 96 -4.721 -3.708 7.139 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.294 -1.821 9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.537 -1.739 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.042 -0.775 7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.677 1.094 8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.471 -1.225 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.050 2.828 8.109 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.843 0.510 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.628 2.537 6.121 1.00 0.00 H new ATOM 1540 N SER A 97 -7.939 -2.924 8.749 1.00 0.00 N ATOM 1541 CA SER A 97 -9.053 -3.808 9.055 1.00 0.00 C ATOM 1542 C SER A 97 -10.308 -3.303 8.349 1.00 0.00 C ATOM 1543 O SER A 97 -11.117 -4.089 7.856 1.00 0.00 O ATOM 1544 CB SER A 97 -9.297 -3.849 10.569 1.00 0.00 C ATOM 1545 OG SER A 97 -8.099 -4.115 11.283 1.00 0.00 O ATOM 0 H SER A 97 -8.213 -1.966 8.532 1.00 0.00 H new ATOM 0 HA SER A 97 -8.815 -4.814 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.713 -2.897 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.036 -4.616 10.799 1.00 0.00 H new ATOM 0 HG SER A 97 -8.288 -4.133 12.244 1.00 0.00 H new ATOM 1551 N SER A 98 -10.449 -1.987 8.291 1.00 0.00 N ATOM 1552 CA SER A 98 -11.547 -1.369 7.575 1.00 0.00 C ATOM 1553 C SER A 98 -11.027 -0.619 6.350 1.00 0.00 C ATOM 1554 O SER A 98 -10.062 0.148 6.432 1.00 0.00 O ATOM 1555 CB SER A 98 -12.312 -0.426 8.504 1.00 0.00 C ATOM 1556 OG SER A 98 -12.756 -1.118 9.660 1.00 0.00 O ATOM 0 H SER A 98 -9.811 -1.326 8.735 1.00 0.00 H new ATOM 0 HA SER A 98 -12.229 -2.147 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.671 0.406 8.795 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.166 -0.001 7.977 1.00 0.00 H new ATOM 0 HG SER A 98 -13.242 -0.500 10.245 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.662 -0.860 5.209 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.258 -0.231 3.958 1.00 0.00 C ATOM 1564 C ARG A 99 -11.363 1.292 4.047 1.00 0.00 C ATOM 1565 O ARG A 99 -10.556 2.008 3.461 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.088 -0.775 2.788 1.00 0.00 C ATOM 1567 CG ARG A 99 -13.588 -0.636 2.975 1.00 0.00 C ATOM 1568 CD ARG A 99 -14.360 -1.302 1.849 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.099 -2.741 1.771 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.784 -3.665 2.443 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -15.797 -3.319 3.232 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -14.463 -4.941 2.299 1.00 0.00 N ATOM 0 H ARG A 99 -12.461 -1.488 5.125 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.212 -0.478 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.796 -0.254 1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.847 -1.828 2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.878 -1.080 3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.852 0.420 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.427 -1.136 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.092 -0.835 0.902 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.344 -3.056 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.057 -2.337 3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.314 -4.035 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.698 -5.208 1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.980 -5.658 2.808 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.348 1.776 4.798 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.529 3.211 5.010 1.00 0.00 C ATOM 1588 C ILE A 100 -11.293 3.811 5.700 1.00 0.00 C ATOM 1589 O ILE A 100 -10.908 4.949 5.424 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.827 3.496 5.821 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.236 4.983 5.750 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.670 3.048 7.264 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.511 5.895 6.722 1.00 0.00 C ATOM 0 H ILE A 100 -13.037 1.193 5.273 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.640 3.692 4.038 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.629 2.917 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.061 5.344 4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.308 5.059 5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.589 3.257 7.812 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.466 1.978 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.842 3.588 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.867 6.918 6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.705 5.567 7.743 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.439 5.857 6.526 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.656 3.029 6.569 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.452 3.480 7.253 1.00 0.00 C ATOM 1607 C ALA A 101 -8.313 3.618 6.260 1.00 0.00 C ATOM 1608 O ALA A 101 -7.561 4.587 6.296 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.062 2.528 8.372 1.00 0.00 C ATOM 0 H ALA A 101 -10.954 2.085 6.814 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.660 4.452 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.160 2.893 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.872 2.470 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.874 1.537 7.958 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.203 2.644 5.365 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.221 2.709 4.289 1.00 0.00 C ATOM 1617 C LEU A 102 -7.523 3.890 3.367 1.00 0.00 C ATOM 1618 O LEU A 102 -6.615 4.577 2.903 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.215 1.396 3.496 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.300 1.373 2.267 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.853 1.616 2.663 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.435 0.048 1.539 1.00 0.00 C ATOM 0 H LEU A 102 -8.779 1.802 5.362 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.233 2.855 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.916 0.589 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.234 1.182 3.173 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.606 2.176 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.224 1.595 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.766 2.590 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.530 0.838 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.780 0.043 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.154 -0.765 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.468 -0.087 1.218 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.809 4.123 3.132 1.00 0.00 N ATOM 1635 CA GLU A 103 -9.266 5.236 2.308 1.00 0.00 C ATOM 1636 C GLU A 103 -8.728 6.557 2.860 1.00 0.00 C ATOM 1637 O GLU A 103 -7.957 7.252 2.198 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.801 5.252 2.281 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.411 6.036 1.125 1.00 0.00 C ATOM 1640 CD GLU A 103 -11.375 7.538 1.332 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -11.913 8.014 2.353 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -10.821 8.252 0.467 1.00 0.00 O ATOM 0 H GLU A 103 -9.563 3.547 3.506 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.892 5.112 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.160 4.224 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.163 5.674 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.877 5.790 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.445 5.720 0.987 1.00 0.00 H new ATOM 1649 N ARG A 104 -9.109 6.877 4.093 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.691 8.123 4.731 1.00 0.00 C ATOM 1651 C ARG A 104 -7.176 8.167 4.917 1.00 0.00 C ATOM 1652 O ARG A 104 -6.572 9.240 4.928 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.406 8.300 6.074 1.00 0.00 C ATOM 1654 CG ARG A 104 -9.177 7.160 7.058 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.106 7.256 8.261 1.00 0.00 C ATOM 1656 NE ARG A 104 -9.836 8.433 9.085 1.00 0.00 N ATOM 1657 CZ ARG A 104 -10.698 9.432 9.267 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.882 9.412 8.666 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -10.374 10.446 10.058 1.00 0.00 N ATOM 0 H ARG A 104 -9.708 6.289 4.673 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.970 8.949 4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.072 9.232 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.476 8.399 5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.334 6.207 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.141 7.175 7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.140 7.287 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.000 6.358 8.870 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.930 8.493 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.134 8.630 8.062 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.539 10.179 8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.467 10.459 10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.032 11.213 10.200 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.573 6.994 5.052 1.00 0.00 N ATOM 1674 CA TYR A 105 -5.125 6.870 5.168 1.00 0.00 C ATOM 1675 C TYR A 105 -4.438 7.419 3.922 1.00 0.00 C ATOM 1676 O TYR A 105 -3.487 8.198 4.016 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.746 5.404 5.364 1.00 0.00 C ATOM 1678 CG TYR A 105 -3.296 5.192 5.716 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -2.843 5.457 6.997 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -2.386 4.723 4.776 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -1.522 5.261 7.335 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -1.060 4.525 5.111 1.00 0.00 C ATOM 1683 CZ TYR A 105 -0.635 4.797 6.393 1.00 0.00 C ATOM 1684 OH TYR A 105 0.678 4.596 6.741 1.00 0.00 O ATOM 0 H TYR A 105 -7.071 6.104 5.084 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.794 7.448 6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.367 4.980 6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.972 4.855 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.535 5.822 7.742 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.719 4.511 3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -1.184 5.472 8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.362 4.159 4.373 1.00 0.00 H new ATOM 0 HH TYR A 105 1.052 3.869 6.201 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.931 7.007 2.757 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.384 7.451 1.480 1.00 0.00 C ATOM 1696 C LEU A 106 -4.488 8.966 1.336 1.00 0.00 C ATOM 1697 O LEU A 106 -3.632 9.602 0.723 1.00 0.00 O ATOM 1698 CB LEU A 106 -5.117 6.767 0.326 1.00 0.00 C ATOM 1699 CG LEU A 106 -5.057 5.239 0.338 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.846 4.667 -0.828 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.614 4.762 0.293 1.00 0.00 C ATOM 0 H LEU A 106 -5.715 6.361 2.672 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.330 7.175 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.162 7.075 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.697 7.125 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.507 4.883 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.793 3.579 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.887 4.981 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.425 5.031 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.591 3.672 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.138 5.127 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.077 5.144 1.162 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.542 9.533 1.911 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.770 10.969 1.866 1.00 0.00 C ATOM 1715 C ASN A 107 -4.714 11.712 2.673 1.00 0.00 C ATOM 1716 O ASN A 107 -4.138 12.690 2.208 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.164 11.304 2.404 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.280 10.964 1.432 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.688 11.793 0.620 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.786 9.744 1.511 1.00 0.00 N ATOM 0 H ASN A 107 -6.258 9.012 2.418 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.702 11.289 0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.326 10.763 3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.209 12.367 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.541 9.463 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.421 9.084 2.198 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.456 11.235 3.880 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.503 11.901 4.744 1.00 0.00 C ATOM 1729 C GLY A 108 -2.067 11.725 4.284 1.00 0.00 C ATOM 1730 O GLY A 108 -1.301 12.686 4.236 1.00 0.00 O ATOM 0 H GLY A 108 -4.888 10.401 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.739 12.964 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.605 11.512 5.757 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.703 10.496 3.941 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.323 10.182 3.598 1.00 0.00 C ATOM 1736 C LEU A 109 0.018 10.582 2.163 1.00 0.00 C ATOM 1737 O LEU A 109 1.050 11.211 1.912 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.054 8.686 3.807 1.00 0.00 C ATOM 1739 CG LEU A 109 1.396 8.240 3.582 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.329 8.974 4.530 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.528 6.737 3.771 1.00 0.00 C ATOM 0 H LEU A 109 -2.342 9.703 3.893 1.00 0.00 H new ATOM 0 HA LEU A 109 0.318 10.763 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.344 8.421 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.699 8.121 3.134 1.00 0.00 H new ATOM 0 HG LEU A 109 1.676 8.485 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.354 8.646 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.257 10.047 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.047 8.756 5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.564 6.439 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.230 6.470 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.885 6.223 3.056 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.850 10.224 1.225 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.549 10.407 -0.191 1.00 0.00 C ATOM 1755 C PHE A 110 -1.296 11.595 -0.788 1.00 0.00 C ATOM 1756 O PHE A 110 -1.156 11.891 -1.977 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.867 9.128 -0.969 1.00 0.00 C ATOM 1758 CG PHE A 110 -0.051 7.948 -0.519 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.320 7.922 -0.717 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.651 6.872 0.117 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.078 6.847 -0.293 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.101 5.795 0.544 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.467 5.782 0.338 1.00 0.00 C ATOM 0 H PHE A 110 -1.762 9.808 1.416 1.00 0.00 H new ATOM 0 HA PHE A 110 0.516 10.622 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.926 8.895 -0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.690 9.302 -2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.803 8.753 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.719 6.876 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.146 6.840 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.379 4.963 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.056 4.940 0.670 1.00 0.00 H new