USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1374 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 75 LYS NZ :NH3+ -119:sc= -0.487 (180deg=0) USER MOD Set 1.2: B 531 LYS NZ :NH3+ 177:sc= -0.692 (180deg=-0.144) USER MOD Set 2.1: A 51 MET CE :methyl -161:sc= -0.376 (180deg=-0.662) USER MOD Set 2.2: B 529 MET CE :methyl 180:sc=-0.00609 (180deg=-0.00609) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.578 USER MOD Set 3.2: A 8 GLN :FLIP amide:sc= 0.425 F(o=-1.3,f=-0.15) USER MOD Single : A 1 ALA N :NH3+ -175:sc= 0 (180deg=-0.0407) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0677) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.391 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= -2.92! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 88:sc= 1.3 USER MOD Single : A 36 MET CE :methyl -140:sc= -0.189 (180deg=-3.35!) USER MOD Single : A 38 SER OG : rot -77:sc= 0.697 USER MOD Single : A 41 GLN : amide:sc=-0.00698 X(o=-0.007,f=-0.029) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -159:sc= -2.02! USER MOD Single : A 49 GLN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 53 ASN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 62 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 THR OG1 : rot -13:sc= -0.976 USER MOD Single : A 71 MET CE :methyl 167:sc= -0.089 (180deg=-0.22) USER MOD Single : A 72 MET CE :methyl -134:sc= -0.543 (180deg=-0.814) USER MOD Single : A 76 MET CE :methyl 152:sc= -0.879 (180deg=-2.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -17:sc= 0.246 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.00929 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 155:sc= -0.0626 (180deg=-0.253) USER MOD Single : A 110 THR OG1 : rot 87:sc= 0.696 USER MOD Single : A 111 ASN : amide:sc= -0.916 K(o=-0.92,f=-4.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 163:sc= 0.67 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc=-0.00558 X(o=-0.0056,f=-0.013) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.788 F(o=-2.3!,f=-0.79) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 170:sc= -0.0044 (180deg=-0.242) USER MOD Single : A 146 THR OG1 : rot 164:sc= -2.44! USER MOD Single : A 148 LYS NZ :NH3+ 178:sc= 0.0737 (180deg=0.0726) USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 520 LYS NZ :NH3+ -151:sc= 0.00796 (180deg=0) USER MOD Single : B 526 CYS SG : rot 53:sc= -9.52! USER MOD Single : B 527 MET CE :methyl 170:sc= -0.983 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.152 -20.445 7.910 1.00 7.80 N ATOM 2 CA ALA A 1 -2.257 -21.601 8.186 1.00 7.39 C ATOM 3 C ALA A 1 -0.809 -21.149 8.382 1.00 6.58 C ATOM 4 O ALA A 1 -0.118 -21.645 9.277 1.00 6.72 O ATOM 5 CB ALA A 1 -2.349 -22.620 7.058 1.00 7.99 C ATOM 0 H1 ALA A 1 -4.138 -20.772 7.866 1.00 7.80 H new ATOM 0 H2 ALA A 1 -3.054 -19.741 8.670 1.00 7.80 H new ATOM 0 H3 ALA A 1 -2.890 -20.012 7.001 1.00 7.80 H new ATOM 0 HA ALA A 1 -2.588 -22.070 9.113 1.00 7.39 H new ATOM 0 HB1 ALA A 1 -1.689 -23.461 7.272 1.00 7.99 H new ATOM 0 HB2 ALA A 1 -3.375 -22.977 6.973 1.00 7.99 H new ATOM 0 HB3 ALA A 1 -2.048 -22.153 6.120 1.00 7.99 H new ATOM 13 N ASP A 2 -0.361 -20.209 7.539 1.00 6.04 N ATOM 14 CA ASP A 2 1.002 -19.683 7.609 1.00 5.55 C ATOM 15 C ASP A 2 0.985 -18.156 7.669 1.00 4.87 C ATOM 16 O ASP A 2 0.361 -17.501 6.828 1.00 5.13 O ATOM 17 CB ASP A 2 1.815 -20.161 6.399 1.00 5.87 C ATOM 18 CG ASP A 2 3.309 -20.208 6.674 1.00 6.52 C ATOM 19 OD1 ASP A 2 3.796 -21.264 7.129 1.00 7.04 O ATOM 20 OD2 ASP A 2 3.988 -19.188 6.434 1.00 6.78 O ATOM 0 H ASP A 2 -0.929 -19.798 6.798 1.00 6.04 H new ATOM 0 HA ASP A 2 1.473 -20.057 8.518 1.00 5.55 H new ATOM 0 HB2 ASP A 2 1.473 -21.154 6.106 1.00 5.87 H new ATOM 0 HB3 ASP A 2 1.626 -19.497 5.555 1.00 5.87 H new ATOM 25 N GLN A 3 1.676 -17.604 8.673 1.00 4.34 N ATOM 26 CA GLN A 3 1.757 -16.154 8.865 1.00 3.83 C ATOM 27 C GLN A 3 3.200 -15.717 9.096 1.00 2.55 C ATOM 28 O GLN A 3 3.998 -16.466 9.667 1.00 2.57 O ATOM 29 CB GLN A 3 0.888 -15.715 10.050 1.00 4.64 C ATOM 30 CG GLN A 3 -0.608 -15.768 9.771 1.00 5.89 C ATOM 31 CD GLN A 3 -1.439 -15.342 10.965 1.00 6.86 C ATOM 32 OE1 GLN A 3 -1.814 -16.165 11.800 1.00 7.41 O ATOM 33 NE2 GLN A 3 -1.731 -14.050 11.052 1.00 7.35 N ATOM 0 H GLN A 3 2.190 -18.145 9.369 1.00 4.34 H new ATOM 0 HA GLN A 3 1.386 -15.677 7.958 1.00 3.83 H new ATOM 0 HB2 GLN A 3 1.111 -16.351 10.907 1.00 4.64 H new ATOM 0 HB3 GLN A 3 1.160 -14.697 10.330 1.00 4.64 H new ATOM 0 HG2 GLN A 3 -0.839 -15.123 8.923 1.00 5.89 H new ATOM 0 HG3 GLN A 3 -0.885 -16.782 9.484 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -1.399 -13.403 10.337 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -2.287 -13.704 11.834 1.00 7.35 H new ATOM 42 N LEU A 4 3.522 -14.499 8.646 1.00 2.09 N ATOM 43 CA LEU A 4 4.868 -13.943 8.798 1.00 1.43 C ATOM 44 C LEU A 4 4.941 -13.001 10.002 1.00 1.51 C ATOM 45 O LEU A 4 3.983 -12.918 10.778 1.00 1.86 O ATOM 46 CB LEU A 4 5.292 -13.228 7.502 1.00 2.32 C ATOM 47 CG LEU A 4 5.607 -14.148 6.314 1.00 2.86 C ATOM 48 CD1 LEU A 4 4.342 -14.501 5.540 1.00 3.65 C ATOM 49 CD2 LEU A 4 6.628 -13.495 5.394 1.00 3.75 C ATOM 0 H LEU A 4 2.865 -13.879 8.172 1.00 2.09 H new ATOM 0 HA LEU A 4 5.564 -14.761 8.984 1.00 1.43 H new ATOM 0 HB2 LEU A 4 4.496 -12.543 7.208 1.00 2.32 H new ATOM 0 HB3 LEU A 4 6.173 -12.622 7.713 1.00 2.32 H new ATOM 0 HG LEU A 4 6.029 -15.073 6.707 1.00 2.86 H new ATOM 0 HD11 LEU A 4 4.597 -15.153 4.705 1.00 3.65 H new ATOM 0 HD12 LEU A 4 3.642 -15.013 6.200 1.00 3.65 H new ATOM 0 HD13 LEU A 4 3.881 -13.589 5.161 1.00 3.65 H new ATOM 0 HD21 LEU A 4 6.841 -14.160 4.557 1.00 3.75 H new ATOM 0 HD22 LEU A 4 6.229 -12.553 5.017 1.00 3.75 H new ATOM 0 HD23 LEU A 4 7.547 -13.304 5.948 1.00 3.75 H new ATOM 61 N THR A 5 6.080 -12.297 10.174 1.00 1.73 N ATOM 62 CA THR A 5 6.234 -11.347 11.283 1.00 2.05 C ATOM 63 C THR A 5 5.280 -10.171 11.092 1.00 1.66 C ATOM 64 O THR A 5 4.990 -9.781 9.959 1.00 1.15 O ATOM 65 CB THR A 5 7.679 -10.824 11.450 1.00 2.63 C ATOM 66 OG1 THR A 5 8.563 -11.463 10.521 1.00 3.14 O ATOM 67 CG2 THR A 5 8.174 -11.072 12.866 1.00 3.26 C ATOM 0 H THR A 5 6.894 -12.371 9.564 1.00 1.73 H new ATOM 0 HA THR A 5 5.992 -11.892 12.195 1.00 2.05 H new ATOM 0 HB THR A 5 7.670 -9.752 11.252 1.00 2.63 H new ATOM 0 HG1 THR A 5 9.472 -11.116 10.643 1.00 3.14 H new ATOM 0 HG21 THR A 5 9.193 -10.698 12.966 1.00 3.26 H new ATOM 0 HG22 THR A 5 7.526 -10.555 13.574 1.00 3.26 H new ATOM 0 HG23 THR A 5 8.158 -12.142 13.075 1.00 3.26 H new ATOM 75 N GLU A 6 4.854 -9.590 12.213 1.00 2.22 N ATOM 76 CA GLU A 6 3.864 -8.494 12.269 1.00 2.15 C ATOM 77 C GLU A 6 3.977 -7.431 11.165 1.00 1.73 C ATOM 78 O GLU A 6 2.970 -7.117 10.525 1.00 1.38 O ATOM 79 CB GLU A 6 3.984 -7.805 13.623 1.00 2.80 C ATOM 80 CG GLU A 6 3.318 -8.560 14.764 1.00 3.25 C ATOM 81 CD GLU A 6 3.460 -7.847 16.095 1.00 3.82 C ATOM 82 OE1 GLU A 6 2.575 -7.030 16.428 1.00 4.39 O ATOM 83 OE2 GLU A 6 4.454 -8.106 16.804 1.00 4.09 O ATOM 0 H GLU A 6 5.191 -9.869 13.134 1.00 2.22 H new ATOM 0 HA GLU A 6 2.895 -8.968 12.113 1.00 2.15 H new ATOM 0 HB2 GLU A 6 5.040 -7.670 13.858 1.00 2.80 H new ATOM 0 HB3 GLU A 6 3.543 -6.810 13.553 1.00 2.80 H new ATOM 0 HG2 GLU A 6 2.260 -8.693 14.538 1.00 3.25 H new ATOM 0 HG3 GLU A 6 3.755 -9.555 14.841 1.00 3.25 H new ATOM 90 N GLU A 7 5.176 -6.886 10.938 1.00 1.90 N ATOM 91 CA GLU A 7 5.356 -5.842 9.931 1.00 1.65 C ATOM 92 C GLU A 7 5.603 -6.388 8.532 1.00 1.44 C ATOM 93 O GLU A 7 5.439 -5.659 7.548 1.00 1.23 O ATOM 94 CB GLU A 7 6.475 -4.875 10.333 1.00 2.06 C ATOM 95 CG GLU A 7 6.110 -3.958 11.491 1.00 2.28 C ATOM 96 CD GLU A 7 7.236 -3.012 11.861 1.00 2.65 C ATOM 97 OE1 GLU A 7 8.066 -3.383 12.716 1.00 3.11 O ATOM 98 OE2 GLU A 7 7.286 -1.899 11.295 1.00 2.91 O ATOM 0 H GLU A 7 6.028 -7.149 11.434 1.00 1.90 H new ATOM 0 HA GLU A 7 4.412 -5.299 9.892 1.00 1.65 H new ATOM 0 HB2 GLU A 7 7.360 -5.451 10.603 1.00 2.06 H new ATOM 0 HB3 GLU A 7 6.743 -4.265 9.470 1.00 2.06 H new ATOM 0 HG2 GLU A 7 5.225 -3.379 11.226 1.00 2.28 H new ATOM 0 HG3 GLU A 7 5.847 -4.562 12.359 1.00 2.28 H new ATOM 105 N GLN A 8 5.992 -7.658 8.439 1.00 1.67 N ATOM 106 CA GLN A 8 6.228 -8.299 7.142 1.00 1.66 C ATOM 107 C GLN A 8 4.882 -8.578 6.468 1.00 1.23 C ATOM 108 O GLN A 8 4.704 -8.315 5.275 1.00 1.28 O ATOM 109 CB GLN A 8 7.030 -9.597 7.307 1.00 1.98 C ATOM 110 CG GLN A 8 8.256 -9.457 8.203 1.00 2.48 C ATOM 111 CD GLN A 8 9.430 -10.286 7.720 1.00 2.88 C ATOM 112 OE1 GLN A 8 10.281 -9.683 6.898 1.00 3.21 O flip ATOM 113 NE2 GLN A 8 9.573 -11.455 8.080 1.00 3.41 N flip ATOM 0 H GLN A 8 6.151 -8.265 9.243 1.00 1.67 H new ATOM 0 HA GLN A 8 6.816 -7.628 6.515 1.00 1.66 H new ATOM 0 HB2 GLN A 8 6.377 -10.366 7.719 1.00 1.98 H new ATOM 0 HB3 GLN A 8 7.349 -9.943 6.324 1.00 1.98 H new ATOM 0 HG2 GLN A 8 8.551 -8.409 8.248 1.00 2.48 H new ATOM 0 HG3 GLN A 8 7.996 -9.759 9.218 1.00 2.48 H new ATOM 0 HE21 GLN A 8 8.896 -11.880 8.713 1.00 3.41 H new ATOM 0 HE22 GLN A 8 10.369 -11.998 7.745 1.00 3.41 H new ATOM 122 N ILE A 9 3.946 -9.117 7.264 1.00 0.97 N ATOM 123 CA ILE A 9 2.586 -9.413 6.798 1.00 0.68 C ATOM 124 C ILE A 9 1.654 -8.217 6.987 1.00 0.57 C ATOM 125 O ILE A 9 0.537 -8.217 6.464 1.00 0.67 O ATOM 126 CB ILE A 9 1.946 -10.684 7.418 1.00 0.76 C ATOM 127 CG1 ILE A 9 2.687 -11.144 8.659 1.00 1.22 C ATOM 128 CG2 ILE A 9 1.868 -11.800 6.388 1.00 1.14 C ATOM 129 CD1 ILE A 9 2.112 -10.510 9.886 1.00 2.46 C ATOM 0 H ILE A 9 4.110 -9.358 8.241 1.00 0.97 H new ATOM 0 HA ILE A 9 2.707 -9.622 5.735 1.00 0.68 H new ATOM 0 HB ILE A 9 0.933 -10.424 7.726 1.00 0.76 H new ATOM 0 HG12 ILE A 9 2.627 -12.229 8.743 1.00 1.22 H new ATOM 0 HG13 ILE A 9 3.743 -10.889 8.573 1.00 1.22 H new ATOM 0 HG21 ILE A 9 1.417 -12.683 6.841 1.00 1.14 H new ATOM 0 HG22 ILE A 9 1.260 -11.474 5.544 1.00 1.14 H new ATOM 0 HG23 ILE A 9 2.871 -12.044 6.039 1.00 1.14 H new ATOM 0 HD11 ILE A 9 2.659 -10.854 10.764 1.00 2.46 H new ATOM 0 HD12 ILE A 9 2.195 -9.426 9.809 1.00 2.46 H new ATOM 0 HD13 ILE A 9 1.062 -10.787 9.981 1.00 2.46 H new ATOM 141 N ALA A 10 2.120 -7.202 7.750 1.00 0.59 N ATOM 142 CA ALA A 10 1.339 -5.964 8.004 1.00 0.64 C ATOM 143 C ALA A 10 0.746 -5.350 6.740 1.00 0.58 C ATOM 144 O ALA A 10 -0.401 -4.900 6.742 1.00 0.70 O ATOM 145 CB ALA A 10 2.216 -4.895 8.614 1.00 0.80 C ATOM 0 H ALA A 10 3.034 -7.214 8.202 1.00 0.59 H new ATOM 0 HA ALA A 10 0.535 -6.274 8.672 1.00 0.64 H new ATOM 0 HB1 ALA A 10 1.625 -3.997 8.792 1.00 0.80 H new ATOM 0 HB2 ALA A 10 2.624 -5.254 9.559 1.00 0.80 H new ATOM 0 HB3 ALA A 10 3.033 -4.662 7.932 1.00 0.80 H new ATOM 151 N GLU A 11 1.530 -5.398 5.657 1.00 0.50 N ATOM 152 CA GLU A 11 1.156 -4.789 4.388 1.00 0.51 C ATOM 153 C GLU A 11 0.101 -5.648 3.710 1.00 0.49 C ATOM 154 O GLU A 11 -0.951 -5.152 3.322 1.00 0.50 O ATOM 155 CB GLU A 11 2.390 -4.610 3.482 1.00 0.59 C ATOM 156 CG GLU A 11 2.073 -4.131 2.061 1.00 0.64 C ATOM 157 CD GLU A 11 1.976 -5.284 1.079 1.00 0.88 C ATOM 158 OE1 GLU A 11 3.027 -5.702 0.550 1.00 1.48 O ATOM 159 OE2 GLU A 11 0.850 -5.768 0.838 1.00 1.48 O ATOM 0 H GLU A 11 2.439 -5.861 5.642 1.00 0.50 H new ATOM 0 HA GLU A 11 0.741 -3.798 4.574 1.00 0.51 H new ATOM 0 HB2 GLU A 11 3.067 -3.896 3.950 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.921 -5.560 3.421 1.00 0.59 H new ATOM 0 HG2 GLU A 11 1.133 -3.579 2.066 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.847 -3.438 1.731 1.00 0.64 H new ATOM 166 N PHE A 12 0.409 -6.951 3.591 1.00 0.52 N ATOM 167 CA PHE A 12 -0.493 -7.924 2.978 1.00 0.53 C ATOM 168 C PHE A 12 -1.812 -7.963 3.722 1.00 0.49 C ATOM 169 O PHE A 12 -2.856 -8.226 3.123 1.00 0.54 O ATOM 170 CB PHE A 12 0.123 -9.335 2.980 1.00 0.63 C ATOM 171 CG PHE A 12 1.433 -9.478 2.241 1.00 1.22 C ATOM 172 CD1 PHE A 12 2.612 -8.966 2.770 1.00 2.05 C ATOM 173 CD2 PHE A 12 1.485 -10.149 1.029 1.00 2.14 C ATOM 174 CE1 PHE A 12 3.811 -9.119 2.101 1.00 3.03 C ATOM 175 CE2 PHE A 12 2.683 -10.301 0.357 1.00 3.14 C ATOM 176 CZ PHE A 12 3.847 -9.786 0.893 1.00 3.44 C ATOM 0 H PHE A 12 1.288 -7.352 3.918 1.00 0.52 H new ATOM 0 HA PHE A 12 -0.659 -7.611 1.947 1.00 0.53 H new ATOM 0 HB2 PHE A 12 0.275 -9.644 4.014 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -0.597 -10.027 2.543 1.00 0.63 H new ATOM 0 HD1 PHE A 12 2.591 -8.443 3.715 1.00 2.05 H new ATOM 0 HD2 PHE A 12 0.579 -10.557 0.605 1.00 2.14 H new ATOM 0 HE1 PHE A 12 4.720 -8.717 2.523 1.00 3.03 H new ATOM 0 HE2 PHE A 12 2.709 -10.823 -0.588 1.00 3.14 H new ATOM 0 HZ PHE A 12 4.783 -9.905 0.368 1.00 3.44 H new ATOM 186 N LYS A 13 -1.756 -7.696 5.038 1.00 0.47 N ATOM 187 CA LYS A 13 -2.949 -7.674 5.858 1.00 0.48 C ATOM 188 C LYS A 13 -3.874 -6.560 5.494 1.00 0.48 C ATOM 189 O LYS A 13 -5.063 -6.772 5.251 1.00 0.52 O ATOM 190 CB LYS A 13 -2.627 -7.492 7.333 1.00 0.51 C ATOM 191 CG LYS A 13 -3.739 -8.006 8.215 1.00 0.57 C ATOM 192 CD LYS A 13 -3.882 -9.512 8.044 1.00 0.60 C ATOM 193 CE LYS A 13 -5.312 -9.975 8.272 1.00 0.66 C ATOM 194 NZ LYS A 13 -5.444 -11.453 8.145 1.00 1.21 N ATOM 0 H LYS A 13 -0.893 -7.495 5.543 1.00 0.47 H new ATOM 0 HA LYS A 13 -3.421 -8.639 5.677 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -1.702 -8.017 7.571 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -2.457 -6.436 7.541 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -3.528 -7.768 9.257 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -4.676 -7.512 7.959 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -3.564 -9.795 7.041 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -3.219 -10.021 8.744 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -5.640 -9.665 9.264 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -5.970 -9.489 7.552 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -6.434 -11.728 8.307 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -5.155 -11.747 7.190 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -4.835 -11.918 8.849 1.00 1.21 H new ATOM 208 N GLU A 14 -3.332 -5.368 5.507 1.00 0.47 N ATOM 209 CA GLU A 14 -4.125 -4.226 5.222 1.00 0.49 C ATOM 210 C GLU A 14 -4.442 -4.165 3.741 1.00 0.49 C ATOM 211 O GLU A 14 -5.460 -3.604 3.337 1.00 0.54 O ATOM 212 CB GLU A 14 -3.435 -2.947 5.679 1.00 0.50 C ATOM 213 CG GLU A 14 -3.989 -2.365 6.974 1.00 0.52 C ATOM 214 CD GLU A 14 -5.264 -1.566 6.768 1.00 1.25 C ATOM 215 OE1 GLU A 14 -6.358 -2.164 6.846 1.00 1.99 O ATOM 216 OE2 GLU A 14 -5.168 -0.344 6.531 1.00 1.95 O ATOM 0 H GLU A 14 -2.351 -5.176 5.712 1.00 0.47 H new ATOM 0 HA GLU A 14 -5.059 -4.313 5.776 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.372 -3.148 5.810 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -3.523 -2.199 4.891 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -4.184 -3.176 7.676 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -3.235 -1.724 7.430 1.00 0.52 H new ATOM 223 N ALA A 15 -3.548 -4.769 2.945 1.00 0.46 N ATOM 224 CA ALA A 15 -3.723 -4.849 1.510 1.00 0.48 C ATOM 225 C ALA A 15 -4.603 -6.038 1.156 1.00 0.50 C ATOM 226 O ALA A 15 -4.839 -6.358 -0.014 1.00 0.55 O ATOM 227 CB ALA A 15 -2.387 -4.915 0.782 1.00 0.50 C ATOM 0 H ALA A 15 -2.693 -5.209 3.286 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.220 -3.937 1.178 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -2.561 -4.974 -0.292 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -1.806 -4.021 1.007 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -1.837 -5.797 1.110 1.00 0.50 H new ATOM 233 N PHE A 16 -5.079 -6.666 2.219 1.00 0.49 N ATOM 234 CA PHE A 16 -5.966 -7.821 2.146 1.00 0.53 C ATOM 235 C PHE A 16 -7.411 -7.340 2.032 1.00 0.57 C ATOM 236 O PHE A 16 -8.122 -7.746 1.123 1.00 0.60 O ATOM 237 CB PHE A 16 -5.792 -8.751 3.366 1.00 0.55 C ATOM 238 CG PHE A 16 -6.192 -10.179 3.105 1.00 0.56 C ATOM 239 CD1 PHE A 16 -7.493 -10.600 3.330 1.00 1.27 C ATOM 240 CD2 PHE A 16 -5.265 -11.097 2.638 1.00 1.27 C ATOM 241 CE1 PHE A 16 -7.862 -11.910 3.092 1.00 1.31 C ATOM 242 CE2 PHE A 16 -5.629 -12.408 2.398 1.00 1.27 C ATOM 243 CZ PHE A 16 -6.929 -12.816 2.626 1.00 0.62 C ATOM 0 H PHE A 16 -4.857 -6.384 3.174 1.00 0.49 H new ATOM 0 HA PHE A 16 -5.706 -8.404 1.262 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -4.749 -8.728 3.683 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -6.385 -8.363 4.194 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -8.226 -9.896 3.695 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -4.247 -10.784 2.460 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -8.879 -12.226 3.270 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -4.898 -13.113 2.032 1.00 1.27 H new ATOM 0 HZ PHE A 16 -7.215 -13.841 2.440 1.00 0.62 H new ATOM 253 N SER A 17 -7.838 -6.459 2.954 1.00 0.61 N ATOM 254 CA SER A 17 -9.212 -5.937 2.920 1.00 0.67 C ATOM 255 C SER A 17 -9.340 -4.720 1.987 1.00 0.74 C ATOM 256 O SER A 17 -10.440 -4.386 1.537 1.00 0.78 O ATOM 257 CB SER A 17 -9.691 -5.587 4.332 1.00 0.74 C ATOM 258 OG SER A 17 -11.080 -5.300 4.350 1.00 1.41 O ATOM 0 H SER A 17 -7.263 -6.100 3.717 1.00 0.61 H new ATOM 0 HA SER A 17 -9.850 -6.724 2.519 1.00 0.67 H new ATOM 0 HB2 SER A 17 -9.481 -6.418 5.006 1.00 0.74 H new ATOM 0 HB3 SER A 17 -9.135 -4.726 4.704 1.00 0.74 H new ATOM 0 HG SER A 17 -11.357 -5.082 5.264 1.00 1.41 H new ATOM 264 N LEU A 18 -8.200 -4.075 1.713 1.00 0.79 N ATOM 265 CA LEU A 18 -8.123 -2.895 0.826 1.00 0.91 C ATOM 266 C LEU A 18 -8.199 -3.345 -0.646 1.00 0.81 C ATOM 267 O LEU A 18 -8.450 -2.544 -1.551 1.00 0.79 O ATOM 268 CB LEU A 18 -6.820 -2.093 1.201 1.00 1.26 C ATOM 269 CG LEU A 18 -5.936 -1.383 0.122 1.00 0.69 C ATOM 270 CD1 LEU A 18 -5.258 -2.365 -0.817 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.692 -0.330 -0.673 1.00 0.83 C ATOM 0 H LEU A 18 -7.298 -4.353 2.099 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.967 -2.219 0.962 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -7.119 -1.325 1.915 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -6.168 -2.786 1.733 1.00 1.26 H new ATOM 0 HG LEU A 18 -5.161 -0.869 0.691 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -4.658 -1.818 -1.544 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -4.614 -3.031 -0.243 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -6.015 -2.951 -1.338 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.023 0.124 -1.404 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.531 -0.797 -1.190 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.065 0.438 0.004 1.00 0.83 H new ATOM 283 N PHE A 19 -8.004 -4.647 -0.840 1.00 0.84 N ATOM 284 CA PHE A 19 -8.040 -5.284 -2.150 1.00 0.86 C ATOM 285 C PHE A 19 -9.225 -6.234 -2.246 1.00 0.75 C ATOM 286 O PHE A 19 -10.026 -6.164 -3.177 1.00 0.79 O ATOM 287 CB PHE A 19 -6.764 -6.113 -2.341 1.00 1.02 C ATOM 288 CG PHE A 19 -5.819 -5.659 -3.436 1.00 0.85 C ATOM 289 CD1 PHE A 19 -5.225 -6.589 -4.274 1.00 1.41 C ATOM 290 CD2 PHE A 19 -5.516 -4.316 -3.624 1.00 1.53 C ATOM 291 CE1 PHE A 19 -4.352 -6.195 -5.269 1.00 1.60 C ATOM 292 CE2 PHE A 19 -4.646 -3.918 -4.618 1.00 1.64 C ATOM 293 CZ PHE A 19 -4.061 -4.857 -5.441 1.00 1.28 C ATOM 0 H PHE A 19 -7.814 -5.298 -0.078 1.00 0.84 H new ATOM 0 HA PHE A 19 -8.123 -4.507 -2.910 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -6.216 -6.118 -1.399 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -7.054 -7.143 -2.547 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -5.448 -7.638 -4.147 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -5.968 -3.573 -2.983 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -3.897 -6.934 -5.912 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.423 -2.870 -4.752 1.00 1.64 H new ATOM 0 HZ PHE A 19 -3.378 -4.546 -6.217 1.00 1.28 H new ATOM 303 N ASP A 20 -9.337 -7.112 -1.250 1.00 0.68 N ATOM 304 CA ASP A 20 -10.378 -8.123 -1.237 1.00 0.63 C ATOM 305 C ASP A 20 -11.721 -7.568 -0.721 1.00 0.66 C ATOM 306 O ASP A 20 -11.968 -7.535 0.491 1.00 0.74 O ATOM 307 CB ASP A 20 -9.932 -9.334 -0.394 1.00 0.60 C ATOM 308 CG ASP A 20 -8.643 -9.969 -0.889 1.00 1.67 C ATOM 309 OD1 ASP A 20 -8.721 -11.025 -1.552 1.00 2.45 O ATOM 310 OD2 ASP A 20 -7.559 -9.415 -0.618 1.00 2.31 O ATOM 0 H ASP A 20 -8.715 -7.138 -0.442 1.00 0.68 H new ATOM 0 HA ASP A 20 -10.538 -8.443 -2.267 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -9.799 -9.018 0.641 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.724 -10.083 -0.400 1.00 0.60 H new ATOM 315 N LYS A 21 -12.578 -7.105 -1.655 1.00 0.73 N ATOM 316 CA LYS A 21 -13.915 -6.582 -1.304 1.00 0.80 C ATOM 317 C LYS A 21 -14.862 -7.738 -1.075 1.00 0.82 C ATOM 318 O LYS A 21 -15.512 -7.852 -0.032 1.00 0.91 O ATOM 319 CB LYS A 21 -14.491 -5.707 -2.405 1.00 1.01 C ATOM 320 CG LYS A 21 -13.835 -4.363 -2.523 1.00 0.97 C ATOM 321 CD LYS A 21 -12.872 -4.381 -3.677 1.00 0.95 C ATOM 322 CE LYS A 21 -12.402 -2.975 -4.031 1.00 1.05 C ATOM 323 NZ LYS A 21 -13.466 -2.179 -4.708 1.00 1.63 N ATOM 0 H LYS A 21 -12.369 -7.083 -2.653 1.00 0.73 H new ATOM 0 HA LYS A 21 -13.803 -5.979 -0.403 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -14.398 -6.230 -3.357 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -15.556 -5.565 -2.222 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -14.588 -3.590 -2.675 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -13.310 -4.119 -1.600 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -12.012 -5.001 -3.425 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -13.350 -4.836 -4.545 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -12.087 -2.460 -3.124 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -11.529 -3.038 -4.681 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -13.053 -1.306 -5.095 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -13.880 -2.739 -5.481 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.208 -1.936 -4.021 1.00 1.63 H new ATOM 337 N ASP A 22 -14.911 -8.587 -2.097 1.00 0.85 N ATOM 338 CA ASP A 22 -15.723 -9.809 -2.083 1.00 0.97 C ATOM 339 C ASP A 22 -15.057 -10.838 -1.159 1.00 0.88 C ATOM 340 O ASP A 22 -15.730 -11.543 -0.402 1.00 1.02 O ATOM 341 CB ASP A 22 -15.867 -10.361 -3.508 1.00 1.12 C ATOM 342 CG ASP A 22 -17.041 -11.316 -3.656 1.00 1.36 C ATOM 343 OD1 ASP A 22 -18.051 -10.922 -4.277 1.00 2.09 O ATOM 344 OD2 ASP A 22 -16.950 -12.453 -3.149 1.00 1.48 O ATOM 0 H ASP A 22 -14.389 -8.451 -2.963 1.00 0.85 H new ATOM 0 HA ASP A 22 -16.722 -9.589 -1.707 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -15.991 -9.531 -4.203 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -14.948 -10.877 -3.787 1.00 1.12 H new ATOM 349 N GLY A 23 -13.716 -10.895 -1.248 1.00 0.75 N ATOM 350 CA GLY A 23 -12.895 -11.762 -0.411 1.00 0.75 C ATOM 351 C GLY A 23 -13.262 -13.229 -0.376 1.00 0.85 C ATOM 352 O GLY A 23 -13.457 -13.801 0.700 1.00 1.01 O ATOM 0 H GLY A 23 -13.177 -10.335 -1.908 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -11.862 -11.679 -0.748 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -12.929 -11.380 0.609 1.00 0.75 H new ATOM 356 N ASP A 24 -13.355 -13.829 -1.561 1.00 0.82 N ATOM 357 CA ASP A 24 -13.590 -15.274 -1.713 1.00 0.95 C ATOM 358 C ASP A 24 -12.314 -16.006 -1.294 1.00 0.87 C ATOM 359 O ASP A 24 -12.201 -17.236 -1.317 1.00 0.96 O ATOM 360 CB ASP A 24 -13.823 -15.549 -3.174 1.00 1.00 C ATOM 361 CG ASP A 24 -15.271 -15.386 -3.592 1.00 1.41 C ATOM 362 OD1 ASP A 24 -16.096 -16.251 -3.229 1.00 1.96 O ATOM 363 OD2 ASP A 24 -15.580 -14.395 -4.287 1.00 1.93 O ATOM 0 H ASP A 24 -13.270 -13.331 -2.447 1.00 0.82 H new ATOM 0 HA ASP A 24 -14.439 -15.598 -1.112 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -13.203 -14.876 -3.766 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -13.499 -16.564 -3.402 1.00 1.00 H new ATOM 368 N GLY A 25 -11.388 -15.156 -0.900 1.00 0.74 N ATOM 369 CA GLY A 25 -10.050 -15.517 -0.494 1.00 0.72 C ATOM 370 C GLY A 25 -9.085 -15.039 -1.549 1.00 0.65 C ATOM 371 O GLY A 25 -7.871 -14.975 -1.333 1.00 0.69 O ATOM 0 H GLY A 25 -11.557 -14.151 -0.853 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -9.812 -15.066 0.469 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -9.970 -16.597 -0.369 1.00 0.72 H new ATOM 375 N THR A 26 -9.670 -14.705 -2.702 1.00 0.62 N ATOM 376 CA THR A 26 -8.954 -14.161 -3.836 1.00 0.58 C ATOM 377 C THR A 26 -9.348 -12.710 -4.097 1.00 0.57 C ATOM 378 O THR A 26 -10.206 -12.144 -3.411 1.00 0.64 O ATOM 379 CB THR A 26 -9.246 -14.950 -5.112 1.00 0.60 C ATOM 380 OG1 THR A 26 -10.661 -15.149 -5.258 1.00 0.63 O ATOM 381 CG2 THR A 26 -8.542 -16.291 -5.093 1.00 0.64 C ATOM 0 H THR A 26 -10.671 -14.810 -2.867 1.00 0.62 H new ATOM 0 HA THR A 26 -7.895 -14.227 -3.587 1.00 0.58 H new ATOM 0 HB THR A 26 -8.872 -14.374 -5.958 1.00 0.60 H new ATOM 0 HG1 THR A 26 -10.826 -15.988 -5.737 1.00 0.63 H new ATOM 0 HG21 THR A 26 -8.766 -16.833 -6.012 1.00 0.64 H new ATOM 0 HG22 THR A 26 -7.466 -16.136 -5.016 1.00 0.64 H new ATOM 0 HG23 THR A 26 -8.887 -16.871 -4.237 1.00 0.64 H new ATOM 389 N ILE A 27 -8.705 -12.133 -5.107 1.00 0.54 N ATOM 390 CA ILE A 27 -8.935 -10.787 -5.533 1.00 0.53 C ATOM 391 C ILE A 27 -9.493 -10.752 -6.908 1.00 0.53 C ATOM 392 O ILE A 27 -8.994 -11.400 -7.813 1.00 0.51 O ATOM 393 CB ILE A 27 -7.651 -9.981 -5.463 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.545 -9.468 -4.060 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.580 -8.834 -6.478 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.292 -9.921 -3.340 1.00 0.54 C ATOM 0 H ILE A 27 -7.993 -12.615 -5.656 1.00 0.54 H new ATOM 0 HA ILE A 27 -9.665 -10.340 -4.859 1.00 0.53 H new ATOM 0 HB ILE A 27 -6.812 -10.625 -5.726 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.569 -8.378 -4.078 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.417 -9.797 -3.495 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.633 -8.306 -6.365 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.652 -9.237 -7.488 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.404 -8.142 -6.304 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -6.284 -9.511 -2.330 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -6.275 -11.010 -3.290 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.414 -9.569 -3.881 1.00 0.54 H new ATOM 408 N THR A 28 -10.484 -9.928 -7.054 1.00 0.59 N ATOM 409 CA THR A 28 -11.149 -9.779 -8.320 1.00 0.61 C ATOM 410 C THR A 28 -10.697 -8.527 -9.029 1.00 0.58 C ATOM 411 O THR A 28 -10.062 -7.634 -8.460 1.00 0.57 O ATOM 412 CB THR A 28 -12.672 -9.749 -8.145 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.056 -10.366 -6.907 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.391 -10.443 -9.299 1.00 0.73 C ATOM 0 H THR A 28 -10.856 -9.341 -6.307 1.00 0.59 H new ATOM 0 HA THR A 28 -10.881 -10.643 -8.928 1.00 0.61 H new ATOM 0 HB THR A 28 -12.968 -8.700 -8.136 1.00 0.69 H new ATOM 0 HG1 THR A 28 -14.031 -10.335 -6.814 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.468 -10.399 -9.136 1.00 0.73 H new ATOM 0 HG22 THR A 28 -13.145 -9.942 -10.235 1.00 0.73 H new ATOM 0 HG23 THR A 28 -13.074 -11.485 -9.351 1.00 0.73 H new ATOM 422 N THR A 29 -11.058 -8.511 -10.290 1.00 0.58 N ATOM 423 CA THR A 29 -10.747 -7.443 -11.219 1.00 0.57 C ATOM 424 C THR A 29 -11.469 -6.142 -10.838 1.00 0.62 C ATOM 425 O THR A 29 -10.855 -5.078 -10.845 1.00 0.64 O ATOM 426 CB THR A 29 -11.093 -7.861 -12.684 1.00 0.58 C ATOM 427 OG1 THR A 29 -12.394 -7.393 -13.066 1.00 0.66 O ATOM 428 CG2 THR A 29 -11.052 -9.373 -12.880 1.00 0.59 C ATOM 0 H THR A 29 -11.595 -9.266 -10.715 1.00 0.58 H new ATOM 0 HA THR A 29 -9.675 -7.257 -11.161 1.00 0.57 H new ATOM 0 HB THR A 29 -10.331 -7.401 -13.312 1.00 0.58 H new ATOM 0 HG1 THR A 29 -12.908 -8.133 -13.452 1.00 0.66 H new ATOM 0 HG21 THR A 29 -11.300 -9.613 -13.914 1.00 0.59 H new ATOM 0 HG22 THR A 29 -10.052 -9.743 -12.651 1.00 0.59 H new ATOM 0 HG23 THR A 29 -11.775 -9.846 -12.215 1.00 0.59 H new ATOM 436 N LYS A 30 -12.759 -6.251 -10.441 1.00 0.77 N ATOM 437 CA LYS A 30 -13.585 -5.077 -10.047 1.00 0.85 C ATOM 438 C LYS A 30 -12.845 -4.124 -9.083 1.00 0.84 C ATOM 439 O LYS A 30 -13.143 -2.932 -9.026 1.00 0.93 O ATOM 440 CB LYS A 30 -14.936 -5.527 -9.441 1.00 1.01 C ATOM 441 CG LYS A 30 -14.866 -6.163 -8.036 1.00 1.06 C ATOM 442 CD LYS A 30 -15.359 -7.612 -8.022 1.00 1.10 C ATOM 443 CE LYS A 30 -16.879 -7.704 -7.911 1.00 1.16 C ATOM 444 NZ LYS A 30 -17.350 -9.116 -7.896 1.00 1.66 N ATOM 0 H LYS A 30 -13.254 -7.141 -10.384 1.00 0.77 H new ATOM 0 HA LYS A 30 -13.781 -4.515 -10.960 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.597 -4.662 -9.395 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -15.396 -6.244 -10.121 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -13.838 -6.129 -7.677 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -15.465 -5.572 -7.343 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.032 -8.114 -8.933 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.903 -8.141 -7.185 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -17.208 -7.202 -7.001 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -17.337 -7.177 -8.748 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -18.387 -9.135 -7.820 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -17.059 -9.588 -8.776 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -16.934 -9.612 -7.082 1.00 1.66 H new ATOM 458 N GLU A 31 -11.890 -4.690 -8.337 1.00 0.82 N ATOM 459 CA GLU A 31 -11.063 -3.963 -7.389 1.00 0.87 C ATOM 460 C GLU A 31 -9.836 -3.371 -8.067 1.00 0.78 C ATOM 461 O GLU A 31 -9.599 -2.170 -7.982 1.00 0.81 O ATOM 462 CB GLU A 31 -10.624 -4.925 -6.291 1.00 1.02 C ATOM 463 CG GLU A 31 -9.576 -4.410 -5.324 1.00 1.82 C ATOM 464 CD GLU A 31 -8.281 -5.178 -5.499 1.00 2.69 C ATOM 465 OE1 GLU A 31 -8.204 -6.317 -5.001 1.00 3.34 O ATOM 466 OE2 GLU A 31 -7.355 -4.663 -6.154 1.00 3.27 O ATOM 0 H GLU A 31 -11.672 -5.685 -8.382 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.644 -3.141 -6.971 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -11.505 -5.215 -5.718 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.239 -5.829 -6.763 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -9.403 -3.347 -5.495 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -9.933 -4.514 -4.300 1.00 1.82 H new ATOM 473 N LEU A 32 -9.079 -4.244 -8.751 1.00 0.68 N ATOM 474 CA LEU A 32 -7.828 -3.887 -9.426 1.00 0.60 C ATOM 475 C LEU A 32 -7.918 -2.605 -10.241 1.00 0.66 C ATOM 476 O LEU A 32 -6.938 -1.870 -10.304 1.00 0.72 O ATOM 477 CB LEU A 32 -7.349 -5.078 -10.278 1.00 0.54 C ATOM 478 CG LEU A 32 -5.949 -4.977 -10.928 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.906 -4.361 -9.993 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.482 -6.350 -11.374 1.00 0.44 C ATOM 0 H LEU A 32 -9.325 -5.229 -8.850 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.089 -3.673 -8.654 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.364 -5.968 -9.649 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -8.078 -5.237 -11.073 1.00 0.54 H new ATOM 0 HG LEU A 32 -6.047 -4.315 -11.788 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.943 -4.315 -10.502 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.217 -3.354 -9.714 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.814 -4.974 -9.097 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -4.495 -6.268 -11.830 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.429 -7.014 -10.511 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -6.186 -6.755 -12.101 1.00 0.44 H new ATOM 492 N GLY A 33 -9.077 -2.344 -10.847 1.00 0.71 N ATOM 493 CA GLY A 33 -9.251 -1.118 -11.606 1.00 0.80 C ATOM 494 C GLY A 33 -9.630 0.055 -10.735 1.00 0.83 C ATOM 495 O GLY A 33 -9.303 1.206 -11.041 1.00 0.91 O ATOM 0 H GLY A 33 -9.892 -2.957 -10.825 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -8.326 -0.889 -12.136 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -10.022 -1.269 -12.361 1.00 0.80 H new ATOM 499 N THR A 34 -10.334 -0.254 -9.658 1.00 0.80 N ATOM 500 CA THR A 34 -10.731 0.732 -8.653 1.00 0.84 C ATOM 501 C THR A 34 -9.505 1.133 -7.822 1.00 0.83 C ATOM 502 O THR A 34 -9.488 2.179 -7.167 1.00 0.88 O ATOM 503 CB THR A 34 -11.771 0.120 -7.705 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.821 -0.491 -8.462 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.378 1.152 -6.754 1.00 0.96 C ATOM 0 H THR A 34 -10.651 -1.201 -9.451 1.00 0.80 H new ATOM 0 HA THR A 34 -11.152 1.601 -9.159 1.00 0.84 H new ATOM 0 HB THR A 34 -11.250 -0.624 -7.102 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.576 -1.416 -8.674 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.107 0.665 -6.106 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.589 1.594 -6.145 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.871 1.934 -7.332 1.00 0.96 H new ATOM 513 N VAL A 35 -8.492 0.263 -7.874 1.00 0.77 N ATOM 514 CA VAL A 35 -7.235 0.443 -7.127 1.00 0.79 C ATOM 515 C VAL A 35 -6.279 1.378 -7.873 1.00 0.80 C ATOM 516 O VAL A 35 -5.926 2.461 -7.401 1.00 0.86 O ATOM 517 CB VAL A 35 -6.555 -0.945 -6.944 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.157 -0.831 -6.331 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.427 -1.852 -6.091 1.00 0.79 C ATOM 0 H VAL A 35 -8.517 -0.589 -8.435 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.465 0.888 -6.159 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.441 -1.380 -7.937 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.725 -1.826 -6.224 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.523 -0.228 -6.981 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.227 -0.358 -5.351 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.939 -2.819 -5.972 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.576 -1.397 -5.112 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.393 -1.991 -6.577 1.00 0.79 H new ATOM 529 N MET A 36 -5.885 0.897 -9.041 1.00 0.77 N ATOM 530 CA MET A 36 -4.962 1.572 -9.981 1.00 0.81 C ATOM 531 C MET A 36 -5.256 3.050 -10.217 1.00 0.80 C ATOM 532 O MET A 36 -4.356 3.882 -10.185 1.00 0.87 O ATOM 533 CB MET A 36 -5.067 0.907 -11.354 1.00 0.87 C ATOM 534 CG MET A 36 -6.446 0.401 -11.659 1.00 0.86 C ATOM 535 SD MET A 36 -6.521 -0.570 -13.183 1.00 1.10 S ATOM 536 CE MET A 36 -6.417 0.711 -14.434 1.00 1.82 C ATOM 0 H MET A 36 -6.203 -0.008 -9.387 1.00 0.77 H new ATOM 0 HA MET A 36 -3.979 1.485 -9.517 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.771 1.623 -12.121 1.00 0.87 H new ATOM 0 HB3 MET A 36 -4.363 0.077 -11.404 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.795 -0.211 -10.827 1.00 0.86 H new ATOM 0 HG3 MET A 36 -7.128 1.247 -11.740 1.00 0.86 H new ATOM 0 HE1 MET A 36 -7.097 0.476 -15.253 1.00 1.82 H new ATOM 0 HE2 MET A 36 -6.694 1.670 -13.996 1.00 1.82 H new ATOM 0 HE3 MET A 36 -5.397 0.766 -14.814 1.00 1.82 H new ATOM 546 N ARG A 37 -6.530 3.342 -10.462 1.00 0.79 N ATOM 547 CA ARG A 37 -6.997 4.679 -10.825 1.00 0.85 C ATOM 548 C ARG A 37 -6.430 5.834 -9.984 1.00 0.94 C ATOM 549 O ARG A 37 -5.922 6.826 -10.513 1.00 1.01 O ATOM 550 CB ARG A 37 -8.533 4.764 -10.768 1.00 0.96 C ATOM 551 CG ARG A 37 -9.190 4.006 -9.613 1.00 1.49 C ATOM 552 CD ARG A 37 -10.619 4.478 -9.369 1.00 1.68 C ATOM 553 NE ARG A 37 -10.673 5.839 -8.816 1.00 2.53 N ATOM 554 CZ ARG A 37 -11.792 6.453 -8.404 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.976 5.846 -8.471 1.00 2.47 N ATOM 556 NH2 ARG A 37 -11.722 7.686 -7.921 1.00 3.94 N ATOM 0 H ARG A 37 -7.277 2.649 -10.414 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.620 4.810 -11.839 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -8.820 5.814 -10.701 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -8.936 4.383 -11.706 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -9.192 2.938 -9.833 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -8.601 4.144 -8.706 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -11.174 4.448 -10.307 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -11.114 3.790 -8.683 1.00 1.68 H new ATOM 0 HE ARG A 37 -9.796 6.354 -8.740 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -13.043 4.898 -8.841 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.816 6.330 -8.153 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -10.821 8.161 -7.865 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -12.569 8.159 -7.606 1.00 3.94 H new ATOM 570 N SER A 38 -6.545 5.659 -8.680 1.00 1.00 N ATOM 571 CA SER A 38 -6.136 6.643 -7.650 1.00 1.16 C ATOM 572 C SER A 38 -4.747 7.286 -7.822 1.00 1.17 C ATOM 573 O SER A 38 -4.488 8.331 -7.216 1.00 1.33 O ATOM 574 CB SER A 38 -6.221 5.992 -6.269 1.00 1.37 C ATOM 575 OG SER A 38 -5.422 4.823 -6.207 1.00 1.82 O ATOM 0 H SER A 38 -6.936 4.807 -8.279 1.00 1.00 H new ATOM 0 HA SER A 38 -6.837 7.469 -7.769 1.00 1.16 H new ATOM 0 HB2 SER A 38 -5.894 6.701 -5.508 1.00 1.37 H new ATOM 0 HB3 SER A 38 -7.258 5.740 -6.045 1.00 1.37 H new ATOM 0 HG SER A 38 -5.881 4.088 -6.666 1.00 1.82 H new ATOM 581 N LEU A 39 -3.865 6.690 -8.625 1.00 1.11 N ATOM 582 CA LEU A 39 -2.535 7.248 -8.836 1.00 1.26 C ATOM 583 C LEU A 39 -2.499 8.291 -9.967 1.00 1.23 C ATOM 584 O LEU A 39 -1.522 9.039 -10.082 1.00 1.39 O ATOM 585 CB LEU A 39 -1.486 6.140 -9.054 1.00 1.42 C ATOM 586 CG LEU A 39 -1.864 4.963 -9.967 1.00 1.43 C ATOM 587 CD1 LEU A 39 -1.887 5.363 -11.431 1.00 1.18 C ATOM 588 CD2 LEU A 39 -0.904 3.805 -9.751 1.00 2.07 C ATOM 0 H LEU A 39 -4.049 5.826 -9.136 1.00 1.11 H new ATOM 0 HA LEU A 39 -2.274 7.779 -7.920 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -0.588 6.605 -9.462 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -1.220 5.734 -8.078 1.00 1.42 H new ATOM 0 HG LEU A 39 -2.873 4.650 -9.700 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -2.159 4.501 -12.040 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -2.619 6.157 -11.580 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.900 5.719 -11.726 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -1.181 2.976 -10.403 1.00 2.07 H new ATOM 0 HD22 LEU A 39 0.111 4.126 -9.984 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -0.953 3.481 -8.711 1.00 2.07 H new ATOM 600 N GLY A 40 -3.559 8.338 -10.793 1.00 1.12 N ATOM 601 CA GLY A 40 -3.630 9.325 -11.868 1.00 1.21 C ATOM 602 C GLY A 40 -3.463 8.764 -13.267 1.00 1.24 C ATOM 603 O GLY A 40 -2.926 9.446 -14.145 1.00 1.48 O ATOM 0 H GLY A 40 -4.362 7.712 -10.734 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -4.592 9.834 -11.810 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -2.860 10.078 -11.701 1.00 1.21 H new ATOM 607 N GLN A 41 -3.917 7.536 -13.474 1.00 1.05 N ATOM 608 CA GLN A 41 -3.829 6.890 -14.788 1.00 1.08 C ATOM 609 C GLN A 41 -5.227 6.639 -15.357 1.00 1.03 C ATOM 610 O GLN A 41 -6.210 6.630 -14.611 1.00 1.04 O ATOM 611 CB GLN A 41 -3.038 5.574 -14.682 1.00 1.08 C ATOM 612 CG GLN A 41 -2.318 5.158 -15.965 1.00 1.30 C ATOM 613 CD GLN A 41 -1.063 5.971 -16.236 1.00 2.18 C ATOM 614 OE1 GLN A 41 -1.113 7.009 -16.896 1.00 2.69 O ATOM 615 NE2 GLN A 41 0.069 5.500 -15.726 1.00 3.01 N ATOM 0 H GLN A 41 -4.352 6.962 -12.752 1.00 1.05 H new ATOM 0 HA GLN A 41 -3.300 7.556 -15.470 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -2.302 5.671 -13.884 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -3.722 4.777 -14.390 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -2.053 4.103 -15.900 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -3.001 5.263 -16.808 1.00 1.30 H new ATOM 0 HE21 GLN A 41 0.064 4.635 -15.185 1.00 3.01 H new ATOM 0 HE22 GLN A 41 0.944 6.003 -15.875 1.00 3.01 H new ATOM 624 N ASN A 42 -5.305 6.435 -16.686 1.00 1.26 N ATOM 625 CA ASN A 42 -6.580 6.173 -17.376 1.00 1.34 C ATOM 626 C ASN A 42 -7.102 4.762 -17.032 1.00 0.89 C ATOM 627 O ASN A 42 -6.543 3.765 -17.506 1.00 1.50 O ATOM 628 CB ASN A 42 -6.410 6.327 -18.895 1.00 2.22 C ATOM 629 CG ASN A 42 -6.189 7.768 -19.316 1.00 3.03 C ATOM 630 OD1 ASN A 42 -5.054 8.239 -19.388 1.00 3.77 O ATOM 631 ND2 ASN A 42 -7.278 8.476 -19.597 1.00 3.37 N ATOM 0 H ASN A 42 -4.494 6.447 -17.305 1.00 1.26 H new ATOM 0 HA ASN A 42 -7.313 6.904 -17.034 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -5.565 5.723 -19.225 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -7.296 5.938 -19.397 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -7.192 9.450 -19.886 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -8.200 8.045 -19.524 1.00 3.37 H new ATOM 638 N PRO A 43 -8.171 4.650 -16.186 1.00 1.06 N ATOM 639 CA PRO A 43 -8.709 3.349 -15.777 1.00 1.66 C ATOM 640 C PRO A 43 -9.756 2.754 -16.728 1.00 1.29 C ATOM 641 O PRO A 43 -10.836 3.324 -16.925 1.00 1.26 O ATOM 642 CB PRO A 43 -9.323 3.663 -14.412 1.00 2.73 C ATOM 643 CG PRO A 43 -9.769 5.092 -14.487 1.00 2.76 C ATOM 644 CD PRO A 43 -8.918 5.767 -15.542 1.00 1.85 C ATOM 0 HA PRO A 43 -7.932 2.585 -15.770 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -10.163 3.001 -14.199 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -8.595 3.521 -13.613 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -10.826 5.153 -14.747 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -9.649 5.584 -13.522 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -9.533 6.303 -16.265 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -8.239 6.495 -15.099 1.00 1.85 H new ATOM 652 N THR A 44 -9.403 1.610 -17.322 1.00 1.26 N ATOM 653 CA THR A 44 -10.290 0.880 -18.211 1.00 1.00 C ATOM 654 C THR A 44 -11.118 -0.134 -17.422 1.00 0.85 C ATOM 655 O THR A 44 -10.777 -0.476 -16.285 1.00 0.89 O ATOM 656 CB THR A 44 -9.505 0.134 -19.308 1.00 1.17 C ATOM 657 OG1 THR A 44 -8.105 0.436 -19.234 1.00 1.51 O ATOM 658 CG2 THR A 44 -10.019 0.523 -20.665 1.00 1.33 C ATOM 0 H THR A 44 -8.492 1.170 -17.195 1.00 1.26 H new ATOM 0 HA THR A 44 -10.946 1.611 -18.683 1.00 1.00 H new ATOM 0 HB THR A 44 -9.645 -0.936 -19.151 1.00 1.17 H new ATOM 0 HG1 THR A 44 -7.682 0.242 -20.097 1.00 1.51 H new ATOM 0 HG21 THR A 44 -9.458 -0.009 -21.433 1.00 1.33 H new ATOM 0 HG22 THR A 44 -11.075 0.264 -20.742 1.00 1.33 H new ATOM 0 HG23 THR A 44 -9.898 1.597 -20.806 1.00 1.33 H new ATOM 666 N GLU A 45 -12.202 -0.610 -18.038 1.00 0.76 N ATOM 667 CA GLU A 45 -13.096 -1.591 -17.412 1.00 0.72 C ATOM 668 C GLU A 45 -12.530 -2.990 -17.571 1.00 0.71 C ATOM 669 O GLU A 45 -12.766 -3.854 -16.738 1.00 0.70 O ATOM 670 CB GLU A 45 -14.505 -1.514 -18.009 1.00 0.79 C ATOM 671 CG GLU A 45 -15.285 -0.276 -17.590 1.00 0.85 C ATOM 672 CD GLU A 45 -16.673 -0.228 -18.199 1.00 1.41 C ATOM 673 OE1 GLU A 45 -17.616 -0.753 -17.570 1.00 2.03 O ATOM 674 OE2 GLU A 45 -16.817 0.335 -19.305 1.00 1.97 O ATOM 0 H GLU A 45 -12.485 -0.330 -18.977 1.00 0.76 H new ATOM 0 HA GLU A 45 -13.168 -1.357 -16.350 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -14.430 -1.534 -19.096 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -15.064 -2.401 -17.712 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -15.368 -0.254 -16.503 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -14.731 0.615 -17.886 1.00 0.85 H new ATOM 681 N ALA A 46 -11.852 -3.216 -18.694 1.00 0.75 N ATOM 682 CA ALA A 46 -11.195 -4.476 -18.964 1.00 0.78 C ATOM 683 C ALA A 46 -9.773 -4.486 -18.421 1.00 0.76 C ATOM 684 O ALA A 46 -9.188 -5.553 -18.286 1.00 0.77 O ATOM 685 CB ALA A 46 -11.221 -4.792 -20.452 1.00 0.90 C ATOM 0 H ALA A 46 -11.747 -2.526 -19.437 1.00 0.75 H new ATOM 0 HA ALA A 46 -11.747 -5.260 -18.445 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -10.721 -5.744 -20.631 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -12.255 -4.855 -20.793 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -10.706 -4.003 -21.000 1.00 0.90 H new ATOM 691 N GLU A 47 -9.214 -3.292 -18.114 1.00 0.77 N ATOM 692 CA GLU A 47 -7.839 -3.196 -17.562 1.00 0.81 C ATOM 693 C GLU A 47 -7.671 -4.049 -16.306 1.00 0.68 C ATOM 694 O GLU A 47 -6.613 -4.624 -16.096 1.00 0.62 O ATOM 695 CB GLU A 47 -7.459 -1.741 -17.252 1.00 0.95 C ATOM 696 CG GLU A 47 -5.971 -1.434 -17.418 1.00 1.30 C ATOM 697 CD GLU A 47 -5.565 -1.231 -18.868 1.00 1.55 C ATOM 698 OE1 GLU A 47 -5.466 -0.064 -19.300 1.00 2.16 O ATOM 699 OE2 GLU A 47 -5.345 -2.241 -19.569 1.00 2.13 O ATOM 0 H GLU A 47 -9.683 -2.395 -18.236 1.00 0.77 H new ATOM 0 HA GLU A 47 -7.168 -3.579 -18.331 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -8.030 -1.081 -17.905 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -7.754 -1.510 -16.228 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -5.725 -0.538 -16.849 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -5.388 -2.251 -16.994 1.00 1.30 H new ATOM 706 N LEU A 48 -8.719 -4.122 -15.488 1.00 0.66 N ATOM 707 CA LEU A 48 -8.708 -4.934 -14.276 1.00 0.59 C ATOM 708 C LEU A 48 -8.888 -6.418 -14.627 1.00 0.55 C ATOM 709 O LEU A 48 -8.245 -7.272 -14.021 1.00 0.56 O ATOM 710 CB LEU A 48 -9.755 -4.422 -13.269 1.00 0.61 C ATOM 711 CG LEU A 48 -11.018 -3.761 -13.845 1.00 0.76 C ATOM 712 CD1 LEU A 48 -11.903 -4.789 -14.493 1.00 0.87 C ATOM 713 CD2 LEU A 48 -11.805 -3.015 -12.778 1.00 1.24 C ATOM 0 H LEU A 48 -9.594 -3.623 -15.646 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.738 -4.841 -13.787 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -10.066 -5.262 -12.648 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -9.267 -3.703 -12.611 1.00 0.61 H new ATOM 0 HG LEU A 48 -10.688 -3.039 -14.592 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -12.792 -4.303 -14.895 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -11.360 -5.279 -15.302 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -12.199 -5.532 -13.753 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -12.689 -2.563 -13.227 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -12.111 -3.712 -11.997 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -11.180 -2.235 -12.344 1.00 1.24 H new ATOM 725 N GLN A 49 -9.758 -6.716 -15.612 1.00 0.57 N ATOM 726 CA GLN A 49 -9.960 -8.089 -16.099 1.00 0.60 C ATOM 727 C GLN A 49 -8.750 -8.551 -16.927 1.00 0.59 C ATOM 728 O GLN A 49 -8.483 -9.751 -17.037 1.00 0.61 O ATOM 729 CB GLN A 49 -11.233 -8.179 -16.952 1.00 0.67 C ATOM 730 CG GLN A 49 -12.527 -8.063 -16.159 1.00 0.80 C ATOM 731 CD GLN A 49 -13.744 -7.914 -17.051 1.00 1.03 C ATOM 732 OE1 GLN A 49 -14.361 -8.903 -17.449 1.00 1.67 O ATOM 733 NE2 GLN A 49 -14.096 -6.674 -17.371 1.00 1.52 N ATOM 0 H GLN A 49 -10.333 -6.019 -16.086 1.00 0.57 H new ATOM 0 HA GLN A 49 -10.068 -8.741 -15.232 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -11.209 -7.390 -17.704 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -11.232 -9.129 -17.487 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -12.646 -8.947 -15.533 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -12.464 -7.205 -15.490 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -13.556 -5.884 -17.019 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -14.906 -6.512 -17.969 1.00 1.52 H new ATOM 742 N ASP A 50 -8.029 -7.572 -17.503 1.00 0.58 N ATOM 743 CA ASP A 50 -6.833 -7.826 -18.309 1.00 0.57 C ATOM 744 C ASP A 50 -5.588 -7.889 -17.425 1.00 0.49 C ATOM 745 O ASP A 50 -4.713 -8.729 -17.645 1.00 0.48 O ATOM 746 CB ASP A 50 -6.653 -6.751 -19.384 1.00 0.63 C ATOM 747 CG ASP A 50 -7.602 -6.935 -20.553 1.00 1.03 C ATOM 748 OD1 ASP A 50 -7.487 -7.962 -21.256 1.00 1.83 O ATOM 749 OD2 ASP A 50 -8.455 -6.050 -20.770 1.00 1.48 O ATOM 0 H ASP A 50 -8.264 -6.583 -17.419 1.00 0.58 H new ATOM 0 HA ASP A 50 -6.966 -8.789 -18.801 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -6.813 -5.768 -18.941 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -5.626 -6.773 -19.747 1.00 0.63 H new ATOM 754 N MET A 51 -5.501 -6.981 -16.430 1.00 0.45 N ATOM 755 CA MET A 51 -4.358 -6.971 -15.494 1.00 0.41 C ATOM 756 C MET A 51 -4.269 -8.271 -14.681 1.00 0.39 C ATOM 757 O MET A 51 -3.177 -8.646 -14.244 1.00 0.38 O ATOM 758 CB MET A 51 -4.389 -5.761 -14.551 1.00 0.41 C ATOM 759 CG MET A 51 -3.801 -4.499 -15.164 1.00 0.48 C ATOM 760 SD MET A 51 -3.682 -3.143 -13.981 1.00 1.31 S ATOM 761 CE MET A 51 -2.922 -1.875 -14.993 1.00 1.31 C ATOM 0 H MET A 51 -6.197 -6.256 -16.256 1.00 0.45 H new ATOM 0 HA MET A 51 -3.465 -6.893 -16.114 1.00 0.41 H new ATOM 0 HB2 MET A 51 -5.420 -5.566 -14.257 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.839 -6.004 -13.642 1.00 0.41 H new ATOM 0 HG2 MET A 51 -2.809 -4.720 -15.559 1.00 0.48 H new ATOM 0 HG3 MET A 51 -4.418 -4.188 -16.007 1.00 0.48 H new ATOM 0 HE1 MET A 51 -2.479 -1.114 -14.351 1.00 1.31 H new ATOM 0 HE2 MET A 51 -2.146 -2.322 -15.614 1.00 1.31 H new ATOM 0 HE3 MET A 51 -3.678 -1.417 -15.630 1.00 1.31 H new ATOM 771 N ILE A 52 -5.415 -8.956 -14.476 1.00 0.41 N ATOM 772 CA ILE A 52 -5.416 -10.234 -13.748 1.00 0.42 C ATOM 773 C ILE A 52 -5.113 -11.405 -14.703 1.00 0.46 C ATOM 774 O ILE A 52 -4.822 -12.513 -14.262 1.00 0.49 O ATOM 775 CB ILE A 52 -6.716 -10.541 -12.958 1.00 0.45 C ATOM 776 CG1 ILE A 52 -7.196 -9.300 -12.195 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.469 -11.690 -12.002 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.642 -9.491 -10.735 1.00 0.48 C ATOM 0 H ILE A 52 -6.333 -8.649 -14.799 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.628 -10.125 -13.003 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.498 -10.824 -13.662 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.391 -8.566 -12.207 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -8.030 -8.867 -12.747 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.383 -11.905 -11.448 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.170 -12.574 -12.565 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -5.677 -11.419 -11.304 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.955 -8.532 -10.322 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.476 -10.192 -10.698 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.811 -9.885 -10.149 1.00 0.48 H new ATOM 790 N ASN A 53 -5.188 -11.140 -16.014 1.00 0.49 N ATOM 791 CA ASN A 53 -4.948 -12.130 -17.050 1.00 0.56 C ATOM 792 C ASN A 53 -3.466 -12.471 -17.160 1.00 0.58 C ATOM 793 O ASN A 53 -3.085 -13.641 -17.207 1.00 0.65 O ATOM 794 CB ASN A 53 -5.415 -11.530 -18.353 1.00 0.58 C ATOM 795 CG ASN A 53 -6.393 -12.408 -19.107 1.00 0.65 C ATOM 796 OD1 ASN A 53 -5.997 -13.239 -19.925 1.00 1.27 O ATOM 797 ND2 ASN A 53 -7.681 -12.229 -18.835 1.00 1.35 N ATOM 0 H ASN A 53 -5.421 -10.217 -16.380 1.00 0.49 H new ATOM 0 HA ASN A 53 -5.482 -13.049 -16.811 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -5.884 -10.567 -18.153 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -4.549 -11.338 -18.986 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -8.386 -12.792 -19.311 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -7.965 -11.529 -18.150 1.00 1.35 H new ATOM 804 N GLU A 54 -2.649 -11.416 -17.226 1.00 0.55 N ATOM 805 CA GLU A 54 -1.186 -11.558 -17.325 1.00 0.59 C ATOM 806 C GLU A 54 -0.541 -11.883 -15.986 1.00 0.57 C ATOM 807 O GLU A 54 0.491 -12.560 -15.936 1.00 0.62 O ATOM 808 CB GLU A 54 -0.549 -10.304 -17.935 1.00 0.61 C ATOM 809 CG GLU A 54 -0.811 -10.143 -19.425 1.00 0.79 C ATOM 810 CD GLU A 54 -0.168 -8.896 -19.998 1.00 1.15 C ATOM 811 OE1 GLU A 54 -0.827 -7.835 -20.001 1.00 1.78 O ATOM 812 OE2 GLU A 54 0.996 -8.979 -20.444 1.00 1.82 O ATOM 0 H GLU A 54 -2.973 -10.449 -17.213 1.00 0.55 H new ATOM 0 HA GLU A 54 -1.001 -12.403 -17.988 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -0.927 -9.425 -17.412 1.00 0.61 H new ATOM 0 HB3 GLU A 54 0.527 -10.336 -17.767 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -0.433 -11.018 -19.953 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -1.886 -10.106 -19.599 1.00 0.79 H new ATOM 819 N VAL A 55 -1.150 -11.399 -14.915 1.00 0.50 N ATOM 820 CA VAL A 55 -0.669 -11.676 -13.563 1.00 0.48 C ATOM 821 C VAL A 55 -1.642 -12.690 -12.944 1.00 0.48 C ATOM 822 O VAL A 55 -1.881 -12.715 -11.735 1.00 0.45 O ATOM 823 CB VAL A 55 -0.553 -10.379 -12.690 1.00 0.44 C ATOM 824 CG1 VAL A 55 0.417 -10.593 -11.531 1.00 0.47 C ATOM 825 CG2 VAL A 55 -0.104 -9.180 -13.521 1.00 0.48 C ATOM 0 H VAL A 55 -1.982 -10.810 -14.952 1.00 0.50 H new ATOM 0 HA VAL A 55 0.342 -12.082 -13.603 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.546 -10.168 -12.293 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.482 -9.681 -10.938 1.00 0.47 H new ATOM 0 HG12 VAL A 55 0.059 -11.409 -10.903 1.00 0.47 H new ATOM 0 HG13 VAL A 55 1.403 -10.842 -11.923 1.00 0.47 H new ATOM 0 HG21 VAL A 55 -0.035 -8.300 -12.882 1.00 0.48 H new ATOM 0 HG22 VAL A 55 0.872 -9.387 -13.960 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.828 -8.996 -14.315 1.00 0.48 H new ATOM 835 N ASP A 56 -2.154 -13.569 -13.827 1.00 0.55 N ATOM 836 CA ASP A 56 -3.159 -14.591 -13.478 1.00 0.60 C ATOM 837 C ASP A 56 -2.727 -15.612 -12.417 1.00 0.61 C ATOM 838 O ASP A 56 -1.814 -16.417 -12.634 1.00 0.65 O ATOM 839 CB ASP A 56 -3.631 -15.325 -14.752 1.00 0.75 C ATOM 840 CG ASP A 56 -2.509 -16.030 -15.510 1.00 0.98 C ATOM 841 OD1 ASP A 56 -1.556 -15.344 -15.935 1.00 1.58 O ATOM 842 OD2 ASP A 56 -2.589 -17.265 -15.674 1.00 1.87 O ATOM 0 H ASP A 56 -1.880 -13.590 -14.809 1.00 0.55 H new ATOM 0 HA ASP A 56 -3.976 -14.034 -13.018 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -4.388 -16.059 -14.477 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -4.110 -14.607 -15.417 1.00 0.75 H new ATOM 847 N ALA A 57 -3.399 -15.540 -11.258 1.00 0.59 N ATOM 848 CA ALA A 57 -3.190 -16.488 -10.162 1.00 0.62 C ATOM 849 C ALA A 57 -4.116 -17.678 -10.370 1.00 0.68 C ATOM 850 O ALA A 57 -3.707 -18.840 -10.311 1.00 0.74 O ATOM 851 CB ALA A 57 -3.482 -15.834 -8.819 1.00 0.60 C ATOM 0 H ALA A 57 -4.099 -14.825 -11.058 1.00 0.59 H new ATOM 0 HA ALA A 57 -2.150 -16.814 -10.159 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -3.320 -16.557 -8.019 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -2.818 -14.981 -8.677 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -4.518 -15.495 -8.797 1.00 0.60 H new ATOM 857 N ASP A 58 -5.374 -17.328 -10.614 1.00 0.68 N ATOM 858 CA ASP A 58 -6.440 -18.276 -10.892 1.00 0.75 C ATOM 859 C ASP A 58 -6.946 -18.056 -12.329 1.00 0.75 C ATOM 860 O ASP A 58 -7.525 -18.955 -12.945 1.00 0.83 O ATOM 861 CB ASP A 58 -7.539 -18.094 -9.830 1.00 0.77 C ATOM 862 CG ASP A 58 -8.838 -18.826 -10.137 1.00 0.90 C ATOM 863 OD1 ASP A 58 -8.836 -20.075 -10.112 1.00 1.36 O ATOM 864 OD2 ASP A 58 -9.854 -18.149 -10.395 1.00 1.62 O ATOM 0 H ASP A 58 -5.685 -16.357 -10.624 1.00 0.68 H new ATOM 0 HA ASP A 58 -6.091 -19.307 -10.833 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -7.159 -18.441 -8.869 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -7.752 -17.030 -9.724 1.00 0.77 H new ATOM 869 N GLY A 59 -6.707 -16.835 -12.830 1.00 0.68 N ATOM 870 CA GLY A 59 -7.039 -16.440 -14.193 1.00 0.68 C ATOM 871 C GLY A 59 -8.506 -16.342 -14.505 1.00 0.72 C ATOM 872 O GLY A 59 -8.884 -16.240 -15.676 1.00 0.75 O ATOM 0 H GLY A 59 -6.272 -16.089 -12.287 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -6.578 -15.473 -14.394 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -6.588 -17.156 -14.879 1.00 0.68 H new ATOM 876 N ASN A 60 -9.331 -16.375 -13.469 1.00 0.73 N ATOM 877 CA ASN A 60 -10.747 -16.196 -13.634 1.00 0.78 C ATOM 878 C ASN A 60 -11.038 -14.740 -13.311 1.00 0.72 C ATOM 879 O ASN A 60 -12.180 -14.331 -13.065 1.00 0.77 O ATOM 880 CB ASN A 60 -11.541 -17.162 -12.741 1.00 0.86 C ATOM 881 CG ASN A 60 -12.966 -17.373 -13.223 1.00 1.28 C ATOM 882 OD1 ASN A 60 -13.881 -16.649 -12.828 1.00 1.86 O ATOM 883 ND2 ASN A 60 -13.161 -18.368 -14.080 1.00 2.03 N ATOM 0 H ASN A 60 -9.033 -16.525 -12.505 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.058 -16.426 -14.653 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -11.028 -18.123 -12.707 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -11.560 -16.775 -11.722 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -14.097 -18.557 -14.437 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -12.374 -18.943 -14.381 1.00 2.03 H new ATOM 890 N GLY A 61 -9.942 -13.969 -13.351 1.00 0.64 N ATOM 891 CA GLY A 61 -9.985 -12.561 -13.042 1.00 0.59 C ATOM 892 C GLY A 61 -9.742 -12.337 -11.569 1.00 0.56 C ATOM 893 O GLY A 61 -10.200 -11.360 -10.974 1.00 0.56 O ATOM 0 H GLY A 61 -9.015 -14.315 -13.598 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -9.232 -12.031 -13.626 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -10.954 -12.150 -13.324 1.00 0.59 H new ATOM 897 N THR A 62 -9.020 -13.285 -11.000 1.00 0.56 N ATOM 898 CA THR A 62 -8.706 -13.293 -9.585 1.00 0.54 C ATOM 899 C THR A 62 -7.228 -13.469 -9.313 1.00 0.50 C ATOM 900 O THR A 62 -6.559 -14.306 -9.926 1.00 0.51 O ATOM 901 CB THR A 62 -9.435 -14.406 -8.828 1.00 0.59 C ATOM 902 OG1 THR A 62 -9.870 -15.439 -9.724 1.00 0.65 O ATOM 903 CG2 THR A 62 -10.619 -13.852 -8.053 1.00 0.62 C ATOM 0 H THR A 62 -8.632 -14.077 -11.512 1.00 0.56 H new ATOM 0 HA THR A 62 -9.037 -12.316 -9.233 1.00 0.54 H new ATOM 0 HB THR A 62 -8.729 -14.839 -8.119 1.00 0.59 H new ATOM 0 HG1 THR A 62 -10.465 -16.055 -9.248 1.00 0.65 H new ATOM 0 HG21 THR A 62 -11.119 -14.663 -7.524 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.269 -13.112 -7.334 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.319 -13.383 -8.744 1.00 0.62 H new ATOM 911 N ILE A 63 -6.742 -12.660 -8.382 1.00 0.47 N ATOM 912 CA ILE A 63 -5.366 -12.695 -7.953 1.00 0.45 C ATOM 913 C ILE A 63 -5.316 -12.860 -6.429 1.00 0.46 C ATOM 914 O ILE A 63 -6.126 -12.295 -5.701 1.00 0.48 O ATOM 915 CB ILE A 63 -4.613 -11.433 -8.429 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.249 -11.775 -9.031 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.461 -10.439 -7.308 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.664 -10.633 -9.840 1.00 0.42 C ATOM 0 H ILE A 63 -7.304 -11.956 -7.903 1.00 0.47 H new ATOM 0 HA ILE A 63 -4.861 -13.549 -8.404 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.216 -10.979 -9.215 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -2.558 -12.039 -8.230 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -3.348 -12.654 -9.669 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -3.928 -9.560 -7.671 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.446 -10.142 -6.949 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -3.899 -10.894 -6.492 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.696 -10.931 -10.243 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.338 -10.385 -10.660 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.537 -9.761 -9.199 1.00 0.42 H new ATOM 930 N ASP A 64 -4.382 -13.663 -5.980 1.00 0.48 N ATOM 931 CA ASP A 64 -4.198 -13.965 -4.556 1.00 0.51 C ATOM 932 C ASP A 64 -3.378 -12.874 -3.842 1.00 0.54 C ATOM 933 O ASP A 64 -2.850 -11.967 -4.492 1.00 0.54 O ATOM 934 CB ASP A 64 -3.516 -15.325 -4.428 1.00 0.57 C ATOM 935 CG ASP A 64 -4.450 -16.479 -4.743 1.00 0.65 C ATOM 936 OD1 ASP A 64 -5.114 -16.979 -3.810 1.00 1.25 O ATOM 937 OD2 ASP A 64 -4.517 -16.883 -5.924 1.00 1.33 O ATOM 0 H ASP A 64 -3.714 -14.137 -6.588 1.00 0.48 H new ATOM 0 HA ASP A 64 -5.174 -13.992 -4.072 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -2.659 -15.362 -5.101 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -3.131 -15.440 -3.415 1.00 0.57 H new ATOM 942 N PHE A 65 -3.277 -12.974 -2.500 1.00 0.62 N ATOM 943 CA PHE A 65 -2.532 -11.992 -1.686 1.00 0.73 C ATOM 944 C PHE A 65 -0.994 -12.036 -1.919 1.00 0.78 C ATOM 945 O PHE A 65 -0.372 -10.975 -1.942 1.00 0.86 O ATOM 946 CB PHE A 65 -2.873 -12.118 -0.175 1.00 0.82 C ATOM 947 CG PHE A 65 -2.792 -13.510 0.408 1.00 0.82 C ATOM 948 CD1 PHE A 65 -1.699 -13.891 1.173 1.00 1.39 C ATOM 949 CD2 PHE A 65 -3.810 -14.430 0.198 1.00 1.51 C ATOM 950 CE1 PHE A 65 -1.623 -15.161 1.714 1.00 1.43 C ATOM 951 CE2 PHE A 65 -3.737 -15.700 0.736 1.00 1.52 C ATOM 952 CZ PHE A 65 -2.643 -16.066 1.495 1.00 0.90 C ATOM 0 H PHE A 65 -3.703 -13.726 -1.957 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.867 -11.013 -2.029 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -2.198 -11.471 0.385 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -3.882 -11.738 -0.018 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -0.898 -13.187 1.348 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -4.669 -14.149 -0.393 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -0.767 -15.445 2.307 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -4.535 -16.407 0.563 1.00 1.52 H new ATOM 0 HZ PHE A 65 -2.585 -17.059 1.917 1.00 0.90 H new ATOM 962 N PRO A 66 -0.333 -13.231 -2.075 1.00 0.79 N ATOM 963 CA PRO A 66 1.122 -13.299 -2.313 1.00 0.89 C ATOM 964 C PRO A 66 1.523 -13.070 -3.781 1.00 0.79 C ATOM 965 O PRO A 66 2.685 -12.770 -4.063 1.00 0.82 O ATOM 966 CB PRO A 66 1.493 -14.733 -1.882 1.00 0.98 C ATOM 967 CG PRO A 66 0.225 -15.371 -1.406 1.00 0.91 C ATOM 968 CD PRO A 66 -0.890 -14.597 -2.041 1.00 0.75 C ATOM 0 HA PRO A 66 1.641 -12.513 -1.764 1.00 0.89 H new ATOM 0 HB2 PRO A 66 1.920 -15.291 -2.715 1.00 0.98 H new ATOM 0 HB3 PRO A 66 2.242 -14.719 -1.090 1.00 0.98 H new ATOM 0 HG2 PRO A 66 0.185 -16.421 -1.694 1.00 0.91 H new ATOM 0 HG3 PRO A 66 0.155 -15.336 -0.319 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -1.127 -14.966 -3.039 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -1.808 -14.649 -1.456 1.00 0.75 H new ATOM 976 N GLU A 67 0.552 -13.211 -4.700 1.00 0.69 N ATOM 977 CA GLU A 67 0.795 -13.085 -6.136 1.00 0.63 C ATOM 978 C GLU A 67 0.728 -11.654 -6.688 1.00 0.62 C ATOM 979 O GLU A 67 1.657 -11.240 -7.386 1.00 0.66 O ATOM 980 CB GLU A 67 -0.175 -13.981 -6.902 1.00 0.61 C ATOM 981 CG GLU A 67 0.444 -15.279 -7.408 1.00 0.70 C ATOM 982 CD GLU A 67 1.257 -15.095 -8.678 1.00 1.12 C ATOM 983 OE1 GLU A 67 2.474 -14.832 -8.571 1.00 1.71 O ATOM 984 OE2 GLU A 67 0.677 -15.215 -9.777 1.00 1.94 O ATOM 0 H GLU A 67 -0.419 -13.415 -4.463 1.00 0.69 H new ATOM 0 HA GLU A 67 1.828 -13.401 -6.284 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -1.019 -14.221 -6.255 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -0.573 -13.425 -7.751 1.00 0.61 H new ATOM 0 HG2 GLU A 67 1.084 -15.697 -6.631 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -0.348 -16.005 -7.592 1.00 0.70 H new ATOM 991 N PHE A 68 -0.369 -10.908 -6.400 1.00 0.63 N ATOM 992 CA PHE A 68 -0.562 -9.530 -6.914 1.00 0.72 C ATOM 993 C PHE A 68 0.717 -8.678 -6.966 1.00 0.79 C ATOM 994 O PHE A 68 0.989 -8.024 -7.978 1.00 0.87 O ATOM 995 CB PHE A 68 -1.690 -8.807 -6.132 1.00 0.88 C ATOM 996 CG PHE A 68 -1.304 -8.152 -4.825 1.00 0.91 C ATOM 997 CD1 PHE A 68 -1.447 -8.829 -3.629 1.00 1.54 C ATOM 998 CD2 PHE A 68 -0.814 -6.856 -4.801 1.00 1.84 C ATOM 999 CE1 PHE A 68 -1.108 -8.228 -2.431 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -0.471 -6.253 -3.609 1.00 2.44 C ATOM 1001 CZ PHE A 68 -0.619 -6.939 -2.422 1.00 2.37 C ATOM 0 H PHE A 68 -1.134 -11.240 -5.813 1.00 0.63 H new ATOM 0 HA PHE A 68 -0.861 -9.646 -7.956 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -2.117 -8.043 -6.781 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -2.480 -9.530 -5.929 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -1.828 -9.840 -3.630 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -0.699 -6.312 -5.727 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.226 -8.768 -1.503 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -0.087 -5.244 -3.605 1.00 2.44 H new ATOM 0 HZ PHE A 68 -0.352 -6.468 -1.488 1.00 2.37 H new ATOM 1011 N LEU A 69 1.482 -8.697 -5.881 1.00 0.81 N ATOM 1012 CA LEU A 69 2.709 -7.906 -5.779 1.00 0.89 C ATOM 1013 C LEU A 69 3.955 -8.586 -6.306 1.00 0.84 C ATOM 1014 O LEU A 69 4.955 -7.914 -6.502 1.00 0.89 O ATOM 1015 CB LEU A 69 2.988 -7.476 -4.356 1.00 0.99 C ATOM 1016 CG LEU A 69 2.450 -8.413 -3.279 1.00 0.97 C ATOM 1017 CD1 LEU A 69 3.090 -9.794 -3.372 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.686 -7.821 -1.911 1.00 1.14 C ATOM 0 H LEU A 69 1.275 -9.255 -5.052 1.00 0.81 H new ATOM 0 HA LEU A 69 2.503 -7.046 -6.417 1.00 0.89 H new ATOM 0 HB2 LEU A 69 4.066 -7.380 -4.227 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.559 -6.486 -4.201 1.00 0.99 H new ATOM 0 HG LEU A 69 1.378 -8.529 -3.440 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.684 -10.436 -2.590 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.875 -10.230 -4.348 1.00 0.92 H new ATOM 0 HD13 LEU A 69 4.169 -9.704 -3.244 1.00 0.92 H new ATOM 0 HD21 LEU A 69 2.298 -8.498 -1.150 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.755 -7.676 -1.757 1.00 1.14 H new ATOM 0 HD23 LEU A 69 2.175 -6.861 -1.837 1.00 1.14 H new ATOM 1030 N THR A 70 3.918 -9.908 -6.504 1.00 0.78 N ATOM 1031 CA THR A 70 5.098 -10.665 -6.987 1.00 0.78 C ATOM 1032 C THR A 70 5.788 -9.964 -8.160 1.00 0.80 C ATOM 1033 O THR A 70 6.974 -10.189 -8.409 1.00 0.79 O ATOM 1034 CB THR A 70 4.719 -12.123 -7.369 1.00 0.80 C ATOM 1035 OG1 THR A 70 3.938 -12.709 -6.325 1.00 0.79 O ATOM 1036 CG2 THR A 70 5.951 -12.993 -7.612 1.00 0.88 C ATOM 0 H THR A 70 3.091 -10.482 -6.340 1.00 0.78 H new ATOM 0 HA THR A 70 5.807 -10.701 -6.160 1.00 0.78 H new ATOM 0 HB THR A 70 4.147 -12.076 -8.296 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.992 -12.149 -5.522 1.00 0.79 H new ATOM 0 HG21 THR A 70 5.637 -14.003 -7.876 1.00 0.88 H new ATOM 0 HG22 THR A 70 6.539 -12.571 -8.427 1.00 0.88 H new ATOM 0 HG23 THR A 70 6.557 -13.027 -6.707 1.00 0.88 H new ATOM 1044 N MET A 71 5.030 -9.133 -8.867 1.00 0.87 N ATOM 1045 CA MET A 71 5.564 -8.350 -9.957 1.00 0.96 C ATOM 1046 C MET A 71 6.127 -7.019 -9.473 1.00 0.97 C ATOM 1047 O MET A 71 7.111 -6.546 -10.038 1.00 1.00 O ATOM 1048 CB MET A 71 4.531 -8.147 -11.066 1.00 1.10 C ATOM 1049 CG MET A 71 4.253 -9.404 -11.874 1.00 1.15 C ATOM 1050 SD MET A 71 3.213 -9.093 -13.313 1.00 1.66 S ATOM 1051 CE MET A 71 3.271 -10.688 -14.125 1.00 1.68 C ATOM 0 H MET A 71 4.035 -8.989 -8.696 1.00 0.87 H new ATOM 0 HA MET A 71 6.392 -8.918 -10.382 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.599 -7.796 -10.623 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.880 -7.363 -11.738 1.00 1.10 H new ATOM 0 HG2 MET A 71 5.198 -9.837 -12.201 1.00 1.15 H new ATOM 0 HG3 MET A 71 3.769 -10.142 -11.234 1.00 1.15 H new ATOM 0 HE1 MET A 71 2.502 -10.732 -14.897 1.00 1.68 H new ATOM 0 HE2 MET A 71 4.251 -10.829 -14.581 1.00 1.68 H new ATOM 0 HE3 MET A 71 3.095 -11.476 -13.393 1.00 1.68 H new ATOM 1061 N MET A 72 5.517 -6.407 -8.433 1.00 0.99 N ATOM 1062 CA MET A 72 6.051 -5.151 -7.889 1.00 1.06 C ATOM 1063 C MET A 72 7.097 -5.508 -6.853 1.00 0.94 C ATOM 1064 O MET A 72 7.969 -4.705 -6.513 1.00 0.95 O ATOM 1065 CB MET A 72 4.971 -4.242 -7.289 1.00 1.23 C ATOM 1066 CG MET A 72 3.694 -4.146 -8.115 1.00 1.37 C ATOM 1067 SD MET A 72 2.374 -5.188 -7.469 1.00 2.19 S ATOM 1068 CE MET A 72 1.007 -4.697 -8.513 1.00 3.08 C ATOM 0 H MET A 72 4.678 -6.755 -7.968 1.00 0.99 H new ATOM 0 HA MET A 72 6.487 -4.575 -8.705 1.00 1.06 H new ATOM 0 HB2 MET A 72 4.718 -4.608 -6.294 1.00 1.23 H new ATOM 0 HB3 MET A 72 5.384 -3.241 -7.165 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.357 -3.110 -8.137 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.909 -4.433 -9.144 1.00 1.37 H new ATOM 0 HE1 MET A 72 0.123 -4.528 -7.899 1.00 3.08 H new ATOM 0 HE2 MET A 72 1.264 -3.778 -9.041 1.00 3.08 H new ATOM 0 HE3 MET A 72 0.800 -5.485 -9.237 1.00 3.08 H new ATOM 1078 N ALA A 73 6.974 -6.750 -6.365 1.00 0.86 N ATOM 1079 CA ALA A 73 7.920 -7.341 -5.444 1.00 0.79 C ATOM 1080 C ALA A 73 9.116 -7.792 -6.263 1.00 0.71 C ATOM 1081 O ALA A 73 10.210 -7.996 -5.729 1.00 0.68 O ATOM 1082 CB ALA A 73 7.307 -8.510 -4.687 1.00 0.80 C ATOM 0 H ALA A 73 6.201 -7.369 -6.609 1.00 0.86 H new ATOM 0 HA ALA A 73 8.219 -6.612 -4.691 1.00 0.79 H new ATOM 0 HB1 ALA A 73 8.046 -8.929 -4.004 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.444 -8.163 -4.119 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.991 -9.276 -5.395 1.00 0.80 H new ATOM 1088 N ARG A 74 8.880 -7.948 -7.596 1.00 0.72 N ATOM 1089 CA ARG A 74 9.897 -8.297 -8.522 1.00 0.71 C ATOM 1090 C ARG A 74 10.773 -7.082 -8.771 1.00 0.73 C ATOM 1091 O ARG A 74 12.002 -7.184 -8.797 1.00 0.68 O ATOM 1092 CB ARG A 74 9.203 -8.758 -9.806 1.00 0.83 C ATOM 1093 CG ARG A 74 10.084 -8.812 -11.029 1.00 0.91 C ATOM 1094 CD ARG A 74 10.848 -10.125 -11.147 1.00 1.12 C ATOM 1095 NE ARG A 74 11.651 -10.187 -12.373 1.00 1.47 N ATOM 1096 CZ ARG A 74 12.449 -11.210 -12.713 1.00 1.90 C ATOM 1097 NH1 ARG A 74 12.569 -12.280 -11.930 1.00 2.18 N ATOM 1098 NH2 ARG A 74 13.131 -11.158 -13.849 1.00 2.55 N ATOM 0 H ARG A 74 7.961 -7.826 -8.020 1.00 0.72 H new ATOM 0 HA ARG A 74 10.534 -9.097 -8.146 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.783 -9.749 -9.637 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.368 -8.088 -10.009 1.00 0.83 H new ATOM 0 HG2 ARG A 74 9.471 -8.672 -11.919 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.794 -7.985 -10.997 1.00 0.91 H new ATOM 0 HD2 ARG A 74 11.499 -10.244 -10.281 1.00 1.12 H new ATOM 0 HD3 ARG A 74 10.143 -10.957 -11.133 1.00 1.12 H new ATOM 0 HE ARG A 74 11.599 -9.395 -13.013 1.00 1.47 H new ATOM 0 HH11 ARG A 74 12.049 -12.332 -11.054 1.00 2.18 H new ATOM 0 HH12 ARG A 74 13.181 -13.048 -12.206 1.00 2.18 H new ATOM 0 HH21 ARG A 74 13.047 -10.344 -14.458 1.00 2.55 H new ATOM 0 HH22 ARG A 74 13.740 -11.932 -14.114 1.00 2.55 H new ATOM 1112 N LYS A 75 10.109 -5.930 -8.969 1.00 0.86 N ATOM 1113 CA LYS A 75 10.782 -4.659 -9.158 1.00 0.95 C ATOM 1114 C LYS A 75 11.682 -4.358 -7.950 1.00 0.90 C ATOM 1115 O LYS A 75 12.560 -3.493 -8.003 1.00 0.96 O ATOM 1116 CB LYS A 75 9.736 -3.570 -9.381 1.00 1.19 C ATOM 1117 CG LYS A 75 8.582 -4.058 -10.250 1.00 1.28 C ATOM 1118 CD LYS A 75 8.961 -4.158 -11.710 1.00 1.40 C ATOM 1119 CE LYS A 75 7.777 -4.566 -12.572 1.00 2.25 C ATOM 1120 NZ LYS A 75 8.147 -4.665 -14.011 1.00 2.99 N ATOM 0 H LYS A 75 9.091 -5.867 -9.000 1.00 0.86 H new ATOM 0 HA LYS A 75 11.425 -4.697 -10.037 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.349 -3.236 -8.418 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.206 -2.707 -9.853 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.252 -5.034 -9.896 1.00 1.28 H new ATOM 0 HG3 LYS A 75 7.737 -3.378 -10.143 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.347 -3.198 -12.052 1.00 1.40 H new ATOM 0 HD3 LYS A 75 9.765 -4.885 -11.828 1.00 1.40 H new ATOM 0 HE2 LYS A 75 7.392 -5.526 -12.229 1.00 2.25 H new ATOM 0 HE3 LYS A 75 6.973 -3.839 -12.453 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 7.582 -3.987 -14.562 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 9.158 -4.447 -14.125 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 7.960 -5.630 -14.352 1.00 2.99 H new ATOM 1134 N MET A 76 11.421 -5.111 -6.861 1.00 0.85 N ATOM 1135 CA MET A 76 12.184 -5.043 -5.629 1.00 0.93 C ATOM 1136 C MET A 76 13.390 -5.974 -5.724 1.00 0.83 C ATOM 1137 O MET A 76 14.488 -5.607 -5.296 1.00 0.93 O ATOM 1138 CB MET A 76 11.343 -5.437 -4.407 1.00 1.07 C ATOM 1139 CG MET A 76 10.036 -4.672 -4.278 1.00 0.96 C ATOM 1140 SD MET A 76 9.465 -4.516 -2.568 1.00 1.64 S ATOM 1141 CE MET A 76 8.819 -6.156 -2.233 1.00 2.37 C ATOM 0 H MET A 76 10.660 -5.789 -6.828 1.00 0.85 H new ATOM 0 HA MET A 76 12.505 -4.010 -5.499 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.123 -6.503 -4.460 1.00 1.07 H new ATOM 0 HB3 MET A 76 11.935 -5.278 -3.506 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.162 -3.677 -4.704 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.269 -5.176 -4.866 1.00 0.96 H new ATOM 0 HE1 MET A 76 8.900 -6.368 -1.167 1.00 2.37 H new ATOM 0 HE2 MET A 76 7.772 -6.203 -2.534 1.00 2.37 H new ATOM 0 HE3 MET A 76 9.392 -6.894 -2.794 1.00 2.37 H new ATOM 1151 N LYS A 77 13.183 -7.192 -6.292 1.00 0.72 N ATOM 1152 CA LYS A 77 14.283 -8.146 -6.449 1.00 0.79 C ATOM 1153 C LYS A 77 15.197 -7.756 -7.627 1.00 0.78 C ATOM 1154 O LYS A 77 16.303 -8.284 -7.772 1.00 0.91 O ATOM 1155 CB LYS A 77 13.768 -9.593 -6.539 1.00 0.86 C ATOM 1156 CG LYS A 77 12.877 -9.937 -7.726 1.00 0.76 C ATOM 1157 CD LYS A 77 11.591 -10.626 -7.255 1.00 0.89 C ATOM 1158 CE LYS A 77 11.835 -12.026 -6.682 1.00 0.96 C ATOM 1159 NZ LYS A 77 10.568 -12.678 -6.253 1.00 1.75 N ATOM 0 H LYS A 77 12.281 -7.519 -6.638 1.00 0.72 H new ATOM 0 HA LYS A 77 14.901 -8.101 -5.552 1.00 0.79 H new ATOM 0 HB2 LYS A 77 14.631 -10.259 -6.559 1.00 0.86 H new ATOM 0 HB3 LYS A 77 13.216 -9.814 -5.626 1.00 0.86 H new ATOM 0 HG2 LYS A 77 12.629 -9.029 -8.276 1.00 0.76 H new ATOM 0 HG3 LYS A 77 13.415 -10.590 -8.414 1.00 0.76 H new ATOM 0 HD2 LYS A 77 11.112 -10.008 -6.496 1.00 0.89 H new ATOM 0 HD3 LYS A 77 10.897 -10.698 -8.092 1.00 0.89 H new ATOM 0 HE2 LYS A 77 12.326 -12.645 -7.433 1.00 0.96 H new ATOM 0 HE3 LYS A 77 12.514 -11.957 -5.832 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 10.776 -13.623 -5.871 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 10.112 -12.100 -5.518 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.930 -12.767 -7.069 1.00 1.75 H new ATOM 1173 N ASP A 78 14.699 -6.827 -8.452 1.00 0.74 N ATOM 1174 CA ASP A 78 15.444 -6.279 -9.588 1.00 0.79 C ATOM 1175 C ASP A 78 15.971 -4.886 -9.216 1.00 0.77 C ATOM 1176 O ASP A 78 15.495 -4.285 -8.246 1.00 0.80 O ATOM 1177 CB ASP A 78 14.549 -6.198 -10.832 1.00 0.84 C ATOM 1178 CG ASP A 78 14.216 -7.564 -11.402 1.00 1.19 C ATOM 1179 OD1 ASP A 78 13.206 -8.157 -10.969 1.00 1.66 O ATOM 1180 OD2 ASP A 78 14.965 -8.039 -12.281 1.00 1.92 O ATOM 0 H ASP A 78 13.764 -6.434 -8.348 1.00 0.74 H new ATOM 0 HA ASP A 78 16.283 -6.936 -9.820 1.00 0.79 H new ATOM 0 HB2 ASP A 78 13.625 -5.680 -10.577 1.00 0.84 H new ATOM 0 HB3 ASP A 78 15.048 -5.602 -11.596 1.00 0.84 H new ATOM 1185 N THR A 79 16.947 -4.368 -9.981 1.00 0.79 N ATOM 1186 CA THR A 79 17.536 -3.056 -9.697 1.00 0.82 C ATOM 1187 C THR A 79 16.758 -1.907 -10.330 1.00 0.73 C ATOM 1188 O THR A 79 17.298 -0.826 -10.599 1.00 0.78 O ATOM 1189 CB THR A 79 19.026 -2.970 -10.093 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.196 -3.339 -11.467 1.00 1.03 O ATOM 1191 CG2 THR A 79 19.889 -3.863 -9.209 1.00 1.15 C ATOM 0 H THR A 79 17.341 -4.838 -10.796 1.00 0.79 H new ATOM 0 HA THR A 79 17.470 -2.948 -8.614 1.00 0.82 H new ATOM 0 HB THR A 79 19.348 -1.938 -9.952 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.144 -3.279 -11.707 1.00 1.03 H new ATOM 0 HG21 THR A 79 20.932 -3.779 -9.515 1.00 1.15 H new ATOM 0 HG22 THR A 79 19.789 -3.551 -8.169 1.00 1.15 H new ATOM 0 HG23 THR A 79 19.564 -4.898 -9.310 1.00 1.15 H new ATOM 1199 N ASP A 80 15.476 -2.160 -10.536 1.00 0.66 N ATOM 1200 CA ASP A 80 14.550 -1.177 -11.082 1.00 0.67 C ATOM 1201 C ASP A 80 13.966 -0.329 -9.934 1.00 0.66 C ATOM 1202 O ASP A 80 13.057 0.482 -10.133 1.00 0.74 O ATOM 1203 CB ASP A 80 13.434 -1.882 -11.868 1.00 0.77 C ATOM 1204 CG ASP A 80 12.784 -0.981 -12.904 1.00 1.18 C ATOM 1205 OD1 ASP A 80 11.795 -0.300 -12.560 1.00 1.72 O ATOM 1206 OD2 ASP A 80 13.264 -0.959 -14.056 1.00 1.86 O ATOM 0 H ASP A 80 15.044 -3.060 -10.328 1.00 0.66 H new ATOM 0 HA ASP A 80 15.080 -0.517 -11.769 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.845 -2.761 -12.364 1.00 0.77 H new ATOM 0 HB3 ASP A 80 12.673 -2.235 -11.172 1.00 0.77 H new ATOM 1211 N SER A 81 14.546 -0.529 -8.738 1.00 0.67 N ATOM 1212 CA SER A 81 14.138 0.141 -7.492 1.00 0.75 C ATOM 1213 C SER A 81 14.395 1.663 -7.480 1.00 0.68 C ATOM 1214 O SER A 81 13.848 2.369 -6.628 1.00 0.76 O ATOM 1215 CB SER A 81 14.887 -0.519 -6.327 1.00 0.92 C ATOM 1216 OG SER A 81 14.564 0.082 -5.081 1.00 1.07 O ATOM 0 H SER A 81 15.326 -1.173 -8.608 1.00 0.67 H new ATOM 0 HA SER A 81 13.058 0.024 -7.400 1.00 0.75 H new ATOM 0 HB2 SER A 81 14.642 -1.580 -6.292 1.00 0.92 H new ATOM 0 HB3 SER A 81 15.961 -0.446 -6.498 1.00 0.92 H new ATOM 0 HG SER A 81 14.153 0.958 -5.237 1.00 1.07 H new ATOM 1222 N GLU A 82 15.217 2.158 -8.414 1.00 0.62 N ATOM 1223 CA GLU A 82 15.567 3.587 -8.469 1.00 0.63 C ATOM 1224 C GLU A 82 14.554 4.435 -9.259 1.00 0.57 C ATOM 1225 O GLU A 82 14.255 5.565 -8.861 1.00 0.58 O ATOM 1226 CB GLU A 82 16.969 3.751 -9.076 1.00 0.72 C ATOM 1227 CG GLU A 82 17.751 4.950 -8.540 1.00 0.78 C ATOM 1228 CD GLU A 82 18.382 4.688 -7.183 1.00 1.34 C ATOM 1229 OE1 GLU A 82 17.721 4.957 -6.159 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.537 4.213 -7.148 1.00 2.12 O ATOM 0 H GLU A 82 15.653 1.592 -9.142 1.00 0.62 H new ATOM 0 HA GLU A 82 15.547 3.956 -7.443 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.543 2.844 -8.886 1.00 0.72 H new ATOM 0 HB3 GLU A 82 16.875 3.848 -10.158 1.00 0.72 H new ATOM 0 HG2 GLU A 82 18.532 5.216 -9.253 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.083 5.808 -8.465 1.00 0.78 H new ATOM 1237 N GLU A 83 14.036 3.891 -10.365 1.00 0.55 N ATOM 1238 CA GLU A 83 13.088 4.621 -11.230 1.00 0.58 C ATOM 1239 C GLU A 83 11.619 4.460 -10.804 1.00 0.59 C ATOM 1240 O GLU A 83 10.763 5.234 -11.242 1.00 0.65 O ATOM 1241 CB GLU A 83 13.247 4.166 -12.686 1.00 0.64 C ATOM 1242 CG GLU A 83 14.552 4.608 -13.333 1.00 0.71 C ATOM 1243 CD GLU A 83 14.652 4.191 -14.787 1.00 0.94 C ATOM 1244 OE1 GLU A 83 15.158 3.080 -15.052 1.00 1.76 O ATOM 1245 OE2 GLU A 83 14.225 4.975 -15.661 1.00 1.27 O ATOM 0 H GLU A 83 14.254 2.948 -10.687 1.00 0.55 H new ATOM 0 HA GLU A 83 13.335 5.678 -11.128 1.00 0.58 H new ATOM 0 HB2 GLU A 83 13.184 3.079 -12.725 1.00 0.64 H new ATOM 0 HB3 GLU A 83 12.413 4.555 -13.271 1.00 0.64 H new ATOM 0 HG2 GLU A 83 14.639 5.692 -13.263 1.00 0.71 H new ATOM 0 HG3 GLU A 83 15.390 4.185 -12.779 1.00 0.71 H new ATOM 1252 N GLU A 84 11.336 3.466 -9.955 1.00 0.60 N ATOM 1253 CA GLU A 84 9.962 3.185 -9.500 1.00 0.68 C ATOM 1254 C GLU A 84 9.538 4.010 -8.275 1.00 0.63 C ATOM 1255 O GLU A 84 8.410 4.503 -8.213 1.00 0.69 O ATOM 1256 CB GLU A 84 9.799 1.683 -9.188 1.00 0.80 C ATOM 1257 CG GLU A 84 10.822 1.107 -8.209 1.00 1.14 C ATOM 1258 CD GLU A 84 10.651 -0.384 -7.994 1.00 1.74 C ATOM 1259 OE1 GLU A 84 9.733 -0.773 -7.242 1.00 2.23 O ATOM 1260 OE2 GLU A 84 11.435 -1.161 -8.576 1.00 2.31 O ATOM 0 H GLU A 84 12.040 2.839 -9.566 1.00 0.60 H new ATOM 0 HA GLU A 84 9.308 3.478 -10.321 1.00 0.68 H new ATOM 0 HB2 GLU A 84 8.800 1.519 -8.784 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.860 1.125 -10.123 1.00 0.80 H new ATOM 0 HG2 GLU A 84 11.827 1.303 -8.583 1.00 1.14 H new ATOM 0 HG3 GLU A 84 10.732 1.621 -7.252 1.00 1.14 H new ATOM 1267 N ILE A 85 10.455 4.147 -7.315 1.00 0.57 N ATOM 1268 CA ILE A 85 10.204 4.851 -6.046 1.00 0.54 C ATOM 1269 C ILE A 85 9.813 6.343 -6.203 1.00 0.50 C ATOM 1270 O ILE A 85 9.220 6.919 -5.286 1.00 0.50 O ATOM 1271 CB ILE A 85 11.424 4.647 -5.091 1.00 0.54 C ATOM 1272 CG1 ILE A 85 10.956 4.312 -3.669 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.387 5.835 -5.075 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.323 2.909 -3.221 1.00 0.57 C ATOM 0 H ILE A 85 11.400 3.772 -7.392 1.00 0.57 H new ATOM 0 HA ILE A 85 9.317 4.402 -5.599 1.00 0.54 H new ATOM 0 HB ILE A 85 11.984 3.802 -5.491 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.390 5.031 -2.974 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.874 4.430 -3.615 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.210 5.627 -4.392 1.00 0.57 H new ATOM 0 HG22 ILE A 85 12.780 5.998 -6.078 1.00 0.57 H new ATOM 0 HG23 ILE A 85 11.857 6.728 -4.743 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.960 2.744 -2.207 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.867 2.182 -3.892 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.407 2.792 -3.242 1.00 0.57 H new ATOM 1286 N ARG A 86 10.144 6.953 -7.351 1.00 0.50 N ATOM 1287 CA ARG A 86 9.802 8.369 -7.615 1.00 0.50 C ATOM 1288 C ARG A 86 8.393 8.512 -8.202 1.00 0.52 C ATOM 1289 O ARG A 86 7.740 9.540 -8.010 1.00 0.53 O ATOM 1290 CB ARG A 86 10.827 9.045 -8.532 1.00 0.54 C ATOM 1291 CG ARG A 86 11.415 8.133 -9.586 1.00 1.10 C ATOM 1292 CD ARG A 86 12.272 8.911 -10.565 1.00 1.26 C ATOM 1293 NE ARG A 86 12.649 8.107 -11.733 1.00 1.79 N ATOM 1294 CZ ARG A 86 13.442 8.532 -12.727 1.00 2.08 C ATOM 1295 NH1 ARG A 86 13.962 9.758 -12.718 1.00 1.78 N ATOM 1296 NH2 ARG A 86 13.710 7.722 -13.742 1.00 2.95 N ATOM 0 H ARG A 86 10.646 6.495 -8.112 1.00 0.50 H new ATOM 0 HA ARG A 86 9.825 8.876 -6.650 1.00 0.50 H new ATOM 0 HB2 ARG A 86 10.352 9.893 -9.026 1.00 0.54 H new ATOM 0 HB3 ARG A 86 11.636 9.444 -7.921 1.00 0.54 H new ATOM 0 HG2 ARG A 86 12.015 7.359 -9.108 1.00 1.10 H new ATOM 0 HG3 ARG A 86 10.612 7.627 -10.123 1.00 1.10 H new ATOM 0 HD2 ARG A 86 11.730 9.797 -10.896 1.00 1.26 H new ATOM 0 HD3 ARG A 86 13.173 9.259 -10.060 1.00 1.26 H new ATOM 0 HE ARG A 86 12.282 7.157 -11.793 1.00 1.79 H new ATOM 0 HH11 ARG A 86 13.759 10.392 -11.945 1.00 1.78 H new ATOM 0 HH12 ARG A 86 14.563 10.063 -13.484 1.00 1.78 H new ATOM 0 HH21 ARG A 86 13.314 6.782 -13.763 1.00 2.95 H new ATOM 0 HH22 ARG A 86 14.312 8.039 -14.502 1.00 2.95 H new ATOM 1310 N GLU A 87 7.949 7.489 -8.943 1.00 0.57 N ATOM 1311 CA GLU A 87 6.595 7.464 -9.519 1.00 0.63 C ATOM 1312 C GLU A 87 5.650 6.884 -8.484 1.00 0.62 C ATOM 1313 O GLU A 87 4.453 7.185 -8.462 1.00 0.65 O ATOM 1314 CB GLU A 87 6.558 6.643 -10.808 1.00 0.73 C ATOM 1315 CG GLU A 87 7.399 7.231 -11.933 1.00 0.77 C ATOM 1316 CD GLU A 87 7.414 6.356 -13.171 1.00 1.39 C ATOM 1317 OE1 GLU A 87 8.305 5.487 -13.273 1.00 2.08 O ATOM 1318 OE2 GLU A 87 6.534 6.539 -14.038 1.00 2.02 O ATOM 0 H GLU A 87 8.509 6.664 -9.159 1.00 0.57 H new ATOM 0 HA GLU A 87 6.289 8.477 -9.778 1.00 0.63 H new ATOM 0 HB2 GLU A 87 6.908 5.633 -10.595 1.00 0.73 H new ATOM 0 HB3 GLU A 87 5.525 6.558 -11.145 1.00 0.73 H new ATOM 0 HG2 GLU A 87 7.012 8.216 -12.194 1.00 0.77 H new ATOM 0 HG3 GLU A 87 8.421 7.373 -11.581 1.00 0.77 H new ATOM 1325 N ALA A 88 6.233 6.037 -7.627 1.00 0.60 N ATOM 1326 CA ALA A 88 5.545 5.449 -6.486 1.00 0.62 C ATOM 1327 C ALA A 88 5.352 6.546 -5.443 1.00 0.55 C ATOM 1328 O ALA A 88 4.552 6.422 -4.517 1.00 0.56 O ATOM 1329 CB ALA A 88 6.331 4.272 -5.944 1.00 0.70 C ATOM 0 H ALA A 88 7.206 5.742 -7.713 1.00 0.60 H new ATOM 0 HA ALA A 88 4.570 5.059 -6.777 1.00 0.62 H new ATOM 0 HB1 ALA A 88 5.804 3.844 -5.092 1.00 0.70 H new ATOM 0 HB2 ALA A 88 6.437 3.516 -6.722 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.318 4.608 -5.628 1.00 0.70 H new ATOM 1335 N PHE A 89 6.149 7.619 -5.619 1.00 0.51 N ATOM 1336 CA PHE A 89 6.068 8.831 -4.803 1.00 0.49 C ATOM 1337 C PHE A 89 4.800 9.566 -5.192 1.00 0.47 C ATOM 1338 O PHE A 89 4.005 9.952 -4.337 1.00 0.47 O ATOM 1339 CB PHE A 89 7.225 9.806 -5.106 1.00 0.51 C ATOM 1340 CG PHE A 89 7.414 10.937 -4.107 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.390 10.728 -2.730 1.00 1.27 C ATOM 1342 CD2 PHE A 89 7.599 12.232 -4.572 1.00 1.19 C ATOM 1343 CE1 PHE A 89 7.545 11.785 -1.855 1.00 1.29 C ATOM 1344 CE2 PHE A 89 7.759 13.287 -3.698 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.730 13.064 -2.339 1.00 0.65 C ATOM 0 H PHE A 89 6.870 7.662 -6.339 1.00 0.51 H new ATOM 0 HA PHE A 89 6.100 8.532 -3.755 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.152 9.235 -5.160 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.060 10.241 -6.092 1.00 0.51 H new ATOM 0 HD1 PHE A 89 7.249 9.730 -2.343 1.00 1.27 H new ATOM 0 HD2 PHE A 89 7.618 12.416 -5.636 1.00 1.19 H new ATOM 0 HE1 PHE A 89 7.521 11.610 -0.789 1.00 1.29 H new ATOM 0 HE2 PHE A 89 7.907 14.287 -4.079 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.852 13.889 -1.653 1.00 0.65 H new ATOM 1355 N ARG A 90 4.623 9.714 -6.526 1.00 0.50 N ATOM 1356 CA ARG A 90 3.496 10.437 -7.093 1.00 0.54 C ATOM 1357 C ARG A 90 2.148 9.836 -6.689 1.00 0.54 C ATOM 1358 O ARG A 90 1.114 10.509 -6.722 1.00 0.60 O ATOM 1359 CB ARG A 90 3.613 10.478 -8.614 1.00 0.62 C ATOM 1360 CG ARG A 90 3.435 11.863 -9.207 1.00 1.26 C ATOM 1361 CD ARG A 90 3.251 11.789 -10.711 1.00 1.50 C ATOM 1362 NE ARG A 90 3.102 13.118 -11.315 1.00 2.03 N ATOM 1363 CZ ARG A 90 2.862 13.343 -12.616 1.00 2.50 C ATOM 1364 NH1 ARG A 90 2.740 12.335 -13.478 1.00 2.61 N ATOM 1365 NH2 ARG A 90 2.745 14.589 -13.053 1.00 3.17 N ATOM 0 H ARG A 90 5.262 9.332 -7.223 1.00 0.50 H new ATOM 0 HA ARG A 90 3.530 11.450 -6.691 1.00 0.54 H new ATOM 0 HB2 ARG A 90 4.590 10.092 -8.904 1.00 0.62 H new ATOM 0 HB3 ARG A 90 2.866 9.811 -9.044 1.00 0.62 H new ATOM 0 HG2 ARG A 90 2.570 12.348 -8.754 1.00 1.26 H new ATOM 0 HG3 ARG A 90 4.304 12.478 -8.973 1.00 1.26 H new ATOM 0 HD2 ARG A 90 4.108 11.283 -11.156 1.00 1.50 H new ATOM 0 HD3 ARG A 90 2.371 11.187 -10.939 1.00 1.50 H new ATOM 0 HE ARG A 90 3.187 13.929 -10.702 1.00 2.03 H new ATOM 0 HH11 ARG A 90 2.829 11.372 -13.153 1.00 2.61 H new ATOM 0 HH12 ARG A 90 2.558 12.526 -14.463 1.00 2.61 H new ATOM 0 HH21 ARG A 90 2.837 15.369 -12.402 1.00 3.17 H new ATOM 0 HH22 ARG A 90 2.563 14.768 -14.040 1.00 3.17 H new ATOM 1379 N VAL A 91 2.195 8.557 -6.325 1.00 0.51 N ATOM 1380 CA VAL A 91 1.040 7.784 -5.874 1.00 0.53 C ATOM 1381 C VAL A 91 0.316 8.473 -4.694 1.00 0.54 C ATOM 1382 O VAL A 91 -0.914 8.562 -4.664 1.00 0.60 O ATOM 1383 CB VAL A 91 1.528 6.361 -5.478 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.682 6.183 -3.968 1.00 0.47 C ATOM 1385 CG2 VAL A 91 0.627 5.308 -6.084 1.00 0.59 C ATOM 0 H VAL A 91 3.059 8.015 -6.336 1.00 0.51 H new ATOM 0 HA VAL A 91 0.314 7.716 -6.684 1.00 0.53 H new ATOM 0 HB VAL A 91 2.529 6.235 -5.890 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.025 5.171 -3.754 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.410 6.900 -3.589 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.721 6.351 -3.482 1.00 0.47 H new ATOM 0 HG21 VAL A 91 0.981 4.318 -5.798 1.00 0.59 H new ATOM 0 HG22 VAL A 91 -0.391 5.448 -5.721 1.00 0.59 H new ATOM 0 HG23 VAL A 91 0.641 5.399 -7.170 1.00 0.59 H new ATOM 1395 N PHE A 92 1.127 8.946 -3.743 1.00 0.49 N ATOM 1396 CA PHE A 92 0.667 9.625 -2.551 1.00 0.54 C ATOM 1397 C PHE A 92 0.907 11.124 -2.723 1.00 0.60 C ATOM 1398 O PHE A 92 0.155 11.953 -2.203 1.00 0.69 O ATOM 1399 CB PHE A 92 1.420 9.032 -1.333 1.00 0.53 C ATOM 1400 CG PHE A 92 0.976 9.427 0.064 1.00 1.18 C ATOM 1401 CD1 PHE A 92 0.822 8.445 1.034 1.00 1.94 C ATOM 1402 CD2 PHE A 92 0.759 10.747 0.427 1.00 1.92 C ATOM 1403 CE1 PHE A 92 0.461 8.771 2.326 1.00 2.69 C ATOM 1404 CE2 PHE A 92 0.390 11.074 1.714 1.00 2.68 C ATOM 1405 CZ PHE A 92 0.243 10.088 2.666 1.00 2.89 C ATOM 0 H PHE A 92 2.142 8.860 -3.792 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.400 9.481 -2.384 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.359 7.946 -1.404 1.00 0.53 H new ATOM 0 HB3 PHE A 92 2.472 9.299 -1.433 1.00 0.53 H new ATOM 0 HD1 PHE A 92 0.987 7.410 0.773 1.00 1.94 H new ATOM 0 HD2 PHE A 92 0.881 11.529 -0.308 1.00 1.92 H new ATOM 0 HE1 PHE A 92 0.350 7.995 3.069 1.00 2.69 H new ATOM 0 HE2 PHE A 92 0.215 12.107 1.978 1.00 2.68 H new ATOM 0 HZ PHE A 92 -0.042 10.347 3.675 1.00 2.89 H new ATOM 1415 N ALA A 93 1.966 11.445 -3.480 1.00 0.57 N ATOM 1416 CA ALA A 93 2.337 12.832 -3.790 1.00 0.66 C ATOM 1417 C ALA A 93 1.333 13.468 -4.746 1.00 0.85 C ATOM 1418 O ALA A 93 0.636 12.755 -5.475 1.00 1.63 O ATOM 1419 CB ALA A 93 3.716 12.906 -4.437 1.00 0.65 C ATOM 0 H ALA A 93 2.588 10.751 -3.894 1.00 0.57 H new ATOM 0 HA ALA A 93 2.344 13.372 -2.843 1.00 0.66 H new ATOM 0 HB1 ALA A 93 3.961 13.946 -4.654 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.460 12.492 -3.756 1.00 0.65 H new ATOM 0 HB3 ALA A 93 3.714 12.333 -5.364 1.00 0.65 H new ATOM 1425 N LYS A 94 1.255 14.801 -4.742 1.00 1.24 N ATOM 1426 CA LYS A 94 0.352 15.489 -5.652 1.00 1.42 C ATOM 1427 C LYS A 94 1.122 16.154 -6.763 1.00 1.36 C ATOM 1428 O LYS A 94 1.520 17.324 -6.693 1.00 1.78 O ATOM 1429 CB LYS A 94 -0.552 16.489 -4.954 1.00 1.75 C ATOM 1430 CG LYS A 94 -1.427 15.895 -3.859 1.00 2.06 C ATOM 1431 CD LYS A 94 -2.282 16.960 -3.187 1.00 2.52 C ATOM 1432 CE LYS A 94 -3.159 16.372 -2.089 1.00 2.90 C ATOM 1433 NZ LYS A 94 -4.296 15.581 -2.641 1.00 3.37 N ATOM 0 H LYS A 94 1.797 15.411 -4.130 1.00 1.24 H new ATOM 0 HA LYS A 94 -0.301 14.726 -6.075 1.00 1.42 H new ATOM 0 HB2 LYS A 94 0.065 17.276 -4.521 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -1.194 16.960 -5.698 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -2.071 15.125 -4.284 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -0.798 15.408 -3.114 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -1.637 17.730 -2.764 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -2.911 17.446 -3.933 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -2.554 15.734 -1.445 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -3.547 17.178 -1.466 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -4.866 15.200 -1.859 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -4.890 16.194 -3.235 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -3.927 14.796 -3.215 1.00 3.37 H new ATOM 1447 N ASP A 95 1.348 15.343 -7.793 1.00 1.40 N ATOM 1448 CA ASP A 95 2.095 15.726 -9.014 1.00 1.71 C ATOM 1449 C ASP A 95 3.548 16.064 -8.668 1.00 1.53 C ATOM 1450 O ASP A 95 4.348 16.429 -9.539 1.00 1.84 O ATOM 1451 CB ASP A 95 1.426 16.908 -9.748 1.00 2.30 C ATOM 1452 CG ASP A 95 0.083 16.537 -10.348 1.00 2.81 C ATOM 1453 OD1 ASP A 95 0.057 16.096 -11.516 1.00 3.23 O ATOM 1454 OD2 ASP A 95 -0.941 16.688 -9.650 1.00 3.21 O ATOM 0 H ASP A 95 1.015 14.379 -7.814 1.00 1.40 H new ATOM 0 HA ASP A 95 2.082 14.870 -9.689 1.00 1.71 H new ATOM 0 HB2 ASP A 95 1.292 17.735 -9.051 1.00 2.30 H new ATOM 0 HB3 ASP A 95 2.088 17.261 -10.539 1.00 2.30 H new ATOM 1459 N GLY A 96 3.866 15.915 -7.377 1.00 1.38 N ATOM 1460 CA GLY A 96 5.201 16.209 -6.876 1.00 1.83 C ATOM 1461 C GLY A 96 5.288 17.600 -6.297 1.00 1.85 C ATOM 1462 O GLY A 96 6.072 18.435 -6.756 1.00 2.43 O ATOM 0 H GLY A 96 3.212 15.592 -6.664 1.00 1.38 H new ATOM 0 HA2 GLY A 96 5.472 15.480 -6.112 1.00 1.83 H new ATOM 0 HA3 GLY A 96 5.924 16.106 -7.685 1.00 1.83 H new ATOM 1466 N ASN A 97 4.466 17.826 -5.280 1.00 1.55 N ATOM 1467 CA ASN A 97 4.376 19.110 -4.579 1.00 1.99 C ATOM 1468 C ASN A 97 5.634 19.409 -3.750 1.00 1.78 C ATOM 1469 O ASN A 97 6.030 20.571 -3.613 1.00 2.66 O ATOM 1470 CB ASN A 97 3.144 19.112 -3.668 1.00 2.43 C ATOM 1471 CG ASN A 97 2.600 20.507 -3.411 1.00 3.41 C ATOM 1472 OD1 ASN A 97 1.747 20.999 -4.150 1.00 4.01 O ATOM 1473 ND2 ASN A 97 3.094 21.150 -2.360 1.00 4.00 N ATOM 0 H ASN A 97 3.833 17.117 -4.911 1.00 1.55 H new ATOM 0 HA ASN A 97 4.288 19.892 -5.333 1.00 1.99 H new ATOM 0 HB2 ASN A 97 2.363 18.501 -4.120 1.00 2.43 H new ATOM 0 HB3 ASN A 97 3.402 18.647 -2.716 1.00 2.43 H new ATOM 0 HD21 ASN A 97 2.768 22.090 -2.138 1.00 4.00 H new ATOM 0 HD22 ASN A 97 3.800 20.704 -1.775 1.00 4.00 H new ATOM 1480 N GLY A 98 6.243 18.352 -3.210 1.00 1.20 N ATOM 1481 CA GLY A 98 7.440 18.498 -2.397 1.00 1.80 C ATOM 1482 C GLY A 98 7.165 18.250 -0.928 1.00 1.46 C ATOM 1483 O GLY A 98 7.871 17.473 -0.288 1.00 1.68 O ATOM 0 H GLY A 98 5.924 17.390 -3.324 1.00 1.20 H new ATOM 0 HA2 GLY A 98 8.202 17.801 -2.746 1.00 1.80 H new ATOM 0 HA3 GLY A 98 7.845 19.502 -2.525 1.00 1.80 H new ATOM 1487 N TYR A 99 6.135 18.912 -0.398 1.00 1.07 N ATOM 1488 CA TYR A 99 5.749 18.759 1.005 1.00 0.84 C ATOM 1489 C TYR A 99 4.485 17.907 1.109 1.00 0.81 C ATOM 1490 O TYR A 99 3.444 18.265 0.547 1.00 0.96 O ATOM 1491 CB TYR A 99 5.527 20.135 1.647 1.00 1.07 C ATOM 1492 CG TYR A 99 6.797 20.945 1.815 1.00 1.57 C ATOM 1493 CD1 TYR A 99 7.615 20.774 2.925 1.00 2.28 C ATOM 1494 CD2 TYR A 99 7.175 21.881 0.860 1.00 2.37 C ATOM 1495 CE1 TYR A 99 8.773 21.513 3.079 1.00 3.13 C ATOM 1496 CE2 TYR A 99 8.331 22.623 1.007 1.00 3.24 C ATOM 1497 CZ TYR A 99 9.126 22.435 2.118 1.00 3.46 C ATOM 1498 OH TYR A 99 10.279 23.173 2.267 1.00 4.47 O ATOM 0 H TYR A 99 5.551 19.563 -0.923 1.00 1.07 H new ATOM 0 HA TYR A 99 6.553 18.255 1.541 1.00 0.84 H new ATOM 0 HB2 TYR A 99 4.824 20.701 1.036 1.00 1.07 H new ATOM 0 HB3 TYR A 99 5.062 19.999 2.624 1.00 1.07 H new ATOM 0 HD1 TYR A 99 7.342 20.052 3.680 1.00 2.28 H new ATOM 0 HD2 TYR A 99 6.555 22.031 -0.011 1.00 2.37 H new ATOM 0 HE1 TYR A 99 9.398 21.368 3.948 1.00 3.13 H new ATOM 0 HE2 TYR A 99 8.611 23.347 0.256 1.00 3.24 H new ATOM 0 HH TYR A 99 10.383 23.776 1.502 1.00 4.47 H new ATOM 1508 N ILE A 100 4.583 16.776 1.822 1.00 1.17 N ATOM 1509 CA ILE A 100 3.443 15.862 1.973 1.00 1.39 C ATOM 1510 C ILE A 100 3.176 15.533 3.455 1.00 1.13 C ATOM 1511 O ILE A 100 3.829 14.676 4.055 1.00 1.43 O ATOM 1512 CB ILE A 100 3.640 14.547 1.140 1.00 2.12 C ATOM 1513 CG1 ILE A 100 4.042 14.852 -0.313 1.00 2.36 C ATOM 1514 CG2 ILE A 100 2.372 13.703 1.134 1.00 2.84 C ATOM 1515 CD1 ILE A 100 5.538 14.930 -0.533 1.00 3.08 C ATOM 0 H ILE A 100 5.432 16.474 2.299 1.00 1.17 H new ATOM 0 HA ILE A 100 2.567 16.378 1.579 1.00 1.39 H new ATOM 0 HB ILE A 100 4.444 13.991 1.622 1.00 2.12 H new ATOM 0 HG12 ILE A 100 3.629 14.081 -0.963 1.00 2.36 H new ATOM 0 HG13 ILE A 100 3.591 15.798 -0.613 1.00 2.36 H new ATOM 0 HG21 ILE A 100 2.540 12.799 0.549 1.00 2.84 H new ATOM 0 HG22 ILE A 100 2.111 13.430 2.157 1.00 2.84 H new ATOM 0 HG23 ILE A 100 1.556 14.275 0.692 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.741 15.148 -1.582 1.00 3.08 H new ATOM 0 HD12 ILE A 100 5.957 15.721 0.090 1.00 3.08 H new ATOM 0 HD13 ILE A 100 5.995 13.977 -0.266 1.00 3.08 H new ATOM 1527 N SER A 101 2.168 16.222 4.001 1.00 0.79 N ATOM 1528 CA SER A 101 1.710 16.090 5.394 1.00 0.64 C ATOM 1529 C SER A 101 1.219 14.708 5.741 1.00 0.64 C ATOM 1530 O SER A 101 0.573 14.029 4.942 1.00 0.70 O ATOM 1531 CB SER A 101 0.595 17.107 5.663 1.00 0.71 C ATOM 1532 OG SER A 101 0.359 17.257 7.053 1.00 1.45 O ATOM 0 H SER A 101 1.630 16.909 3.472 1.00 0.79 H new ATOM 0 HA SER A 101 2.577 16.282 6.026 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.867 18.071 5.232 1.00 0.71 H new ATOM 0 HB3 SER A 101 -0.321 16.784 5.169 1.00 0.71 H new ATOM 0 HG SER A 101 -0.356 17.913 7.195 1.00 1.45 H new ATOM 1538 N ALA A 102 1.563 14.310 6.968 1.00 0.72 N ATOM 1539 CA ALA A 102 1.131 13.032 7.543 1.00 0.83 C ATOM 1540 C ALA A 102 -0.396 13.009 7.645 1.00 0.77 C ATOM 1541 O ALA A 102 -1.008 11.957 7.847 1.00 0.87 O ATOM 1542 CB ALA A 102 1.764 12.822 8.910 1.00 1.01 C ATOM 0 H ALA A 102 2.149 14.864 7.592 1.00 0.72 H new ATOM 0 HA ALA A 102 1.456 12.219 6.894 1.00 0.83 H new ATOM 0 HB1 ALA A 102 1.432 11.869 9.322 1.00 1.01 H new ATOM 0 HB2 ALA A 102 2.850 12.817 8.811 1.00 1.01 H new ATOM 0 HB3 ALA A 102 1.464 13.630 9.578 1.00 1.01 H new ATOM 1548 N ALA A 103 -0.985 14.210 7.496 1.00 0.68 N ATOM 1549 CA ALA A 103 -2.435 14.405 7.524 1.00 0.71 C ATOM 1550 C ALA A 103 -3.060 14.006 6.183 1.00 0.64 C ATOM 1551 O ALA A 103 -4.271 13.787 6.092 1.00 0.71 O ATOM 1552 CB ALA A 103 -2.769 15.852 7.856 1.00 0.84 C ATOM 0 H ALA A 103 -0.460 15.073 7.352 1.00 0.68 H new ATOM 0 HA ALA A 103 -2.853 13.765 8.301 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -3.851 15.981 7.873 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -2.358 16.105 8.833 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -2.337 16.508 7.100 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.205 13.917 5.145 1.00 0.59 N ATOM 1559 CA GLU A 104 -2.616 13.527 3.796 1.00 0.69 C ATOM 1560 C GLU A 104 -3.051 12.062 3.734 1.00 0.67 C ATOM 1561 O GLU A 104 -3.716 11.655 2.779 1.00 0.74 O ATOM 1562 CB GLU A 104 -1.513 13.801 2.798 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.415 15.265 2.402 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.525 15.498 1.197 1.00 1.24 C ATOM 1565 OE1 GLU A 104 -0.885 15.038 0.092 1.00 1.81 O ATOM 1566 OE2 GLU A 104 0.527 16.150 1.355 1.00 1.65 O ATOM 0 H GLU A 104 -1.208 14.116 5.227 1.00 0.59 H new ATOM 0 HA GLU A 104 -3.481 14.135 3.532 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -0.561 13.481 3.221 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -1.682 13.200 1.905 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -2.414 15.644 2.187 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -1.031 15.838 3.246 1.00 0.99 H new ATOM 1573 N LEU A 105 -2.649 11.262 4.753 1.00 0.68 N ATOM 1574 CA LEU A 105 -3.044 9.849 4.853 1.00 0.80 C ATOM 1575 C LEU A 105 -4.552 9.677 4.860 1.00 0.68 C ATOM 1576 O LEU A 105 -5.079 8.598 4.588 1.00 0.69 O ATOM 1577 CB LEU A 105 -2.467 9.233 6.111 1.00 1.07 C ATOM 1578 CG LEU A 105 -1.206 8.419 5.893 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -0.101 8.941 6.781 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -1.470 6.946 6.145 1.00 1.81 C ATOM 0 H LEU A 105 -2.050 11.580 5.515 1.00 0.68 H new ATOM 0 HA LEU A 105 -2.649 9.343 3.972 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -2.252 10.029 6.824 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -3.223 8.593 6.566 1.00 1.07 H new ATOM 0 HG LEU A 105 -0.889 8.521 4.855 1.00 1.38 H new ATOM 0 HD11 LEU A 105 0.803 8.353 6.621 1.00 1.58 H new ATOM 0 HD12 LEU A 105 0.098 9.985 6.539 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -0.405 8.862 7.825 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -0.553 6.379 5.983 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -1.806 6.807 7.173 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -2.241 6.592 5.460 1.00 1.81 H new ATOM 1592 N ARG A 106 -5.209 10.771 5.185 1.00 0.65 N ATOM 1593 CA ARG A 106 -6.646 10.873 5.233 1.00 0.68 C ATOM 1594 C ARG A 106 -7.200 11.089 3.814 1.00 0.66 C ATOM 1595 O ARG A 106 -8.313 10.653 3.504 1.00 0.74 O ATOM 1596 CB ARG A 106 -6.951 12.045 6.160 1.00 0.79 C ATOM 1597 CG ARG A 106 -8.351 12.649 6.054 1.00 0.97 C ATOM 1598 CD ARG A 106 -8.531 13.811 7.019 1.00 1.46 C ATOM 1599 NE ARG A 106 -9.870 14.402 6.925 1.00 1.70 N ATOM 1600 CZ ARG A 106 -10.294 15.452 7.645 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -9.495 16.050 8.527 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -11.529 15.904 7.478 1.00 2.39 N ATOM 0 H ARG A 106 -4.738 11.641 5.431 1.00 0.65 H new ATOM 0 HA ARG A 106 -7.119 9.966 5.609 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -6.798 11.716 7.188 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -6.223 12.833 5.965 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -8.524 12.992 5.034 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -9.096 11.882 6.264 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -8.358 13.466 8.038 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -7.782 14.575 6.810 1.00 1.46 H new ATOM 0 HE ARG A 106 -10.526 13.985 6.265 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -8.543 15.711 8.664 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -9.835 16.847 9.065 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -12.150 15.454 6.806 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -11.858 16.702 8.022 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.405 11.768 2.964 1.00 0.67 N ATOM 1617 CA HIS A 107 -6.804 12.041 1.584 1.00 0.82 C ATOM 1618 C HIS A 107 -6.436 10.907 0.627 1.00 0.87 C ATOM 1619 O HIS A 107 -7.247 10.557 -0.234 1.00 1.00 O ATOM 1620 CB HIS A 107 -6.191 13.362 1.112 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.915 14.571 1.620 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -7.819 15.282 0.858 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -6.864 15.196 2.820 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -8.291 16.292 1.568 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -7.728 16.261 2.761 1.00 1.46 N ATOM 0 H HIS A 107 -5.486 12.133 3.215 1.00 0.67 H new ATOM 0 HA HIS A 107 -7.891 12.119 1.573 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -5.151 13.408 1.437 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -6.186 13.382 0.022 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -6.257 14.910 3.666 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -9.014 17.019 1.229 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -7.906 16.922 3.517 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.225 10.330 0.758 1.00 0.90 N ATOM 1635 CA VAL A 108 -4.820 9.220 -0.117 1.00 1.11 C ATOM 1636 C VAL A 108 -5.580 7.929 0.212 1.00 0.96 C ATOM 1637 O VAL A 108 -5.659 7.025 -0.626 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.287 8.948 -0.174 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -2.601 10.020 -1.001 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.627 8.842 1.196 1.00 0.86 C ATOM 0 H VAL A 108 -4.526 10.609 1.447 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.095 9.558 -1.116 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.168 7.972 -0.644 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -1.530 9.823 -1.036 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -3.005 10.012 -2.014 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -2.776 10.996 -0.548 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.561 8.652 1.073 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -2.769 9.775 1.741 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.079 8.023 1.755 1.00 0.86 H new ATOM 1650 N MET A 109 -6.136 7.853 1.437 1.00 0.88 N ATOM 1651 CA MET A 109 -6.915 6.686 1.860 1.00 0.80 C ATOM 1652 C MET A 109 -8.309 6.721 1.233 1.00 0.72 C ATOM 1653 O MET A 109 -8.812 5.696 0.776 1.00 0.73 O ATOM 1654 CB MET A 109 -6.963 6.564 3.410 1.00 0.80 C ATOM 1655 CG MET A 109 -7.910 7.535 4.109 1.00 1.72 C ATOM 1656 SD MET A 109 -7.954 7.302 5.897 1.00 2.24 S ATOM 1657 CE MET A 109 -9.401 8.267 6.328 1.00 3.24 C ATOM 0 H MET A 109 -6.058 8.585 2.143 1.00 0.88 H new ATOM 0 HA MET A 109 -6.416 5.787 1.499 1.00 0.80 H new ATOM 0 HB2 MET A 109 -7.255 5.546 3.669 1.00 0.80 H new ATOM 0 HB3 MET A 109 -5.957 6.717 3.802 1.00 0.80 H new ATOM 0 HG2 MET A 109 -7.603 8.557 3.888 1.00 1.72 H new ATOM 0 HG3 MET A 109 -8.915 7.409 3.706 1.00 1.72 H new ATOM 0 HE1 MET A 109 -9.823 7.893 7.261 1.00 3.24 H new ATOM 0 HE2 MET A 109 -9.118 9.312 6.452 1.00 3.24 H new ATOM 0 HE3 MET A 109 -10.143 8.184 5.534 1.00 3.24 H new ATOM 1667 N THR A 110 -8.892 7.920 1.179 1.00 0.72 N ATOM 1668 CA THR A 110 -10.214 8.122 0.575 1.00 0.77 C ATOM 1669 C THR A 110 -10.041 8.293 -0.935 1.00 0.89 C ATOM 1670 O THR A 110 -11.004 8.152 -1.695 1.00 0.97 O ATOM 1671 CB THR A 110 -10.945 9.343 1.190 1.00 0.83 C ATOM 1672 OG1 THR A 110 -10.766 9.353 2.612 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.442 9.324 0.880 1.00 0.97 C ATOM 0 H THR A 110 -8.468 8.771 1.548 1.00 0.72 H new ATOM 0 HA THR A 110 -10.835 7.250 0.780 1.00 0.77 H new ATOM 0 HB THR A 110 -10.512 10.240 0.746 1.00 0.83 H new ATOM 0 HG1 THR A 110 -9.932 9.817 2.833 1.00 0.78 H new ATOM 0 HG21 THR A 110 -12.918 10.196 1.329 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.590 9.345 -0.200 1.00 0.97 H new ATOM 0 HG23 THR A 110 -12.887 8.417 1.290 1.00 0.97 H new ATOM 1681 N ASN A 111 -8.797 8.610 -1.359 1.00 0.96 N ATOM 1682 CA ASN A 111 -8.459 8.685 -2.783 1.00 1.14 C ATOM 1683 C ASN A 111 -8.619 7.264 -3.331 1.00 1.13 C ATOM 1684 O ASN A 111 -8.933 7.055 -4.505 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.031 9.207 -2.987 1.00 1.26 C ATOM 1686 CG ASN A 111 -6.768 9.673 -4.410 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -6.335 8.895 -5.260 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -7.028 10.948 -4.673 1.00 1.85 N ATOM 0 H ASN A 111 -8.019 8.816 -0.732 1.00 0.96 H new ATOM 0 HA ASN A 111 -9.110 9.383 -3.309 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -6.851 10.034 -2.300 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -6.322 8.420 -2.731 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.870 11.318 -5.610 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -7.386 11.558 -3.938 1.00 1.85 H new ATOM 1695 N LEU A 112 -8.383 6.297 -2.418 1.00 1.02 N ATOM 1696 CA LEU A 112 -8.595 4.881 -2.680 1.00 1.04 C ATOM 1697 C LEU A 112 -10.037 4.555 -2.256 1.00 0.95 C ATOM 1698 O LEU A 112 -10.623 3.557 -2.685 1.00 1.02 O ATOM 1699 CB LEU A 112 -7.593 4.019 -1.890 1.00 1.07 C ATOM 1700 CG LEU A 112 -6.104 4.260 -2.196 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -5.249 3.854 -1.005 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -5.672 3.485 -3.435 1.00 1.54 C ATOM 0 H LEU A 112 -8.039 6.491 -1.478 1.00 1.02 H new ATOM 0 HA LEU A 112 -8.441 4.662 -3.737 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -7.757 4.191 -0.826 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -7.817 2.970 -2.082 1.00 1.07 H new ATOM 0 HG LEU A 112 -5.965 5.324 -2.389 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -4.198 4.030 -1.235 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -5.534 4.445 -0.134 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -5.402 2.796 -0.791 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -4.616 3.671 -3.631 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -5.828 2.419 -3.270 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -6.263 3.810 -4.292 1.00 1.54 H new ATOM 1714 N GLY A 113 -10.579 5.445 -1.391 1.00 0.83 N ATOM 1715 CA GLY A 113 -11.949 5.348 -0.894 1.00 0.82 C ATOM 1716 C GLY A 113 -12.107 4.491 0.340 1.00 0.76 C ATOM 1717 O GLY A 113 -13.155 3.876 0.555 1.00 0.82 O ATOM 0 H GLY A 113 -10.067 6.248 -1.025 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.314 6.351 -0.674 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -12.582 4.945 -1.685 1.00 0.82 H new ATOM 1721 N GLU A 114 -11.056 4.465 1.140 1.00 0.70 N ATOM 1722 CA GLU A 114 -10.997 3.704 2.382 1.00 0.70 C ATOM 1723 C GLU A 114 -11.936 4.271 3.432 1.00 0.73 C ATOM 1724 O GLU A 114 -12.142 5.486 3.505 1.00 0.73 O ATOM 1725 CB GLU A 114 -9.588 3.742 2.929 1.00 0.70 C ATOM 1726 CG GLU A 114 -8.638 2.765 2.255 1.00 0.79 C ATOM 1727 CD GLU A 114 -7.260 2.759 2.888 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -6.400 3.550 2.447 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -7.042 1.964 3.826 1.00 2.12 O ATOM 0 H GLU A 114 -10.199 4.983 0.943 1.00 0.70 H new ATOM 0 HA GLU A 114 -11.300 2.681 2.158 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -9.193 4.752 2.819 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -9.618 3.526 3.997 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -9.060 1.761 2.304 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -8.548 3.022 1.200 1.00 0.79 H new ATOM 1736 N LYS A 115 -12.494 3.377 4.234 1.00 0.82 N ATOM 1737 CA LYS A 115 -13.404 3.741 5.270 1.00 0.92 C ATOM 1738 C LYS A 115 -12.800 3.521 6.647 1.00 1.06 C ATOM 1739 O LYS A 115 -12.536 2.387 7.065 1.00 1.21 O ATOM 1740 CB LYS A 115 -14.681 2.959 5.111 1.00 1.04 C ATOM 1741 CG LYS A 115 -15.391 3.221 3.784 1.00 1.05 C ATOM 1742 CD LYS A 115 -16.289 2.057 3.376 1.00 1.31 C ATOM 1743 CE LYS A 115 -15.574 1.095 2.433 1.00 1.23 C ATOM 1744 NZ LYS A 115 -16.443 -0.049 2.043 1.00 1.56 N ATOM 0 H LYS A 115 -12.316 2.375 4.171 1.00 0.82 H new ATOM 0 HA LYS A 115 -13.621 4.806 5.184 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -14.459 1.895 5.192 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -15.355 3.208 5.931 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -15.989 4.129 3.866 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -14.649 3.397 3.005 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -16.614 1.519 4.266 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -17.186 2.442 2.891 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -15.257 1.632 1.539 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -14.672 0.718 2.915 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -15.920 -0.679 1.402 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -16.725 -0.577 2.894 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -17.292 0.309 1.560 1.00 1.56 H new ATOM 1758 N LEU A 116 -12.577 4.632 7.324 1.00 1.10 N ATOM 1759 CA LEU A 116 -11.990 4.650 8.664 1.00 1.28 C ATOM 1760 C LEU A 116 -12.785 5.576 9.583 1.00 1.19 C ATOM 1761 O LEU A 116 -13.621 6.355 9.111 1.00 1.19 O ATOM 1762 CB LEU A 116 -10.511 5.106 8.596 1.00 1.54 C ATOM 1763 CG LEU A 116 -9.412 4.009 8.589 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -9.443 3.160 9.859 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -9.505 3.122 7.349 1.00 3.12 C ATOM 0 H LEU A 116 -12.798 5.559 6.962 1.00 1.10 H new ATOM 0 HA LEU A 116 -12.028 3.640 9.072 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -10.388 5.708 7.696 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -10.324 5.762 9.446 1.00 1.54 H new ATOM 0 HG LEU A 116 -8.455 4.530 8.560 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -8.658 2.406 9.812 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -9.281 3.798 10.727 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.413 2.670 9.945 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -8.719 2.367 7.382 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -10.478 2.632 7.325 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -9.384 3.733 6.455 1.00 3.12 H new ATOM 1777 N THR A 117 -12.522 5.492 10.896 1.00 1.15 N ATOM 1778 CA THR A 117 -13.194 6.354 11.873 1.00 1.08 C ATOM 1779 C THR A 117 -12.429 7.678 12.001 1.00 0.99 C ATOM 1780 O THR A 117 -11.321 7.810 11.468 1.00 0.98 O ATOM 1781 CB THR A 117 -13.318 5.678 13.264 1.00 1.04 C ATOM 1782 OG1 THR A 117 -13.270 4.252 13.133 1.00 1.34 O ATOM 1783 CG2 THR A 117 -14.623 6.072 13.945 1.00 1.40 C ATOM 0 H THR A 117 -11.852 4.839 11.302 1.00 1.15 H new ATOM 0 HA THR A 117 -14.205 6.540 11.511 1.00 1.08 H new ATOM 0 HB THR A 117 -12.481 6.017 13.874 1.00 1.04 H new ATOM 0 HG1 THR A 117 -13.072 3.850 14.004 1.00 1.34 H new ATOM 0 HG21 THR A 117 -14.687 5.586 14.918 1.00 1.40 H new ATOM 0 HG22 THR A 117 -14.652 7.154 14.077 1.00 1.40 H new ATOM 0 HG23 THR A 117 -15.465 5.759 13.327 1.00 1.40 H new ATOM 1791 N ASP A 118 -13.017 8.652 12.706 1.00 1.00 N ATOM 1792 CA ASP A 118 -12.398 9.972 12.881 1.00 1.00 C ATOM 1793 C ASP A 118 -11.144 9.912 13.768 1.00 0.90 C ATOM 1794 O ASP A 118 -10.133 10.545 13.451 1.00 0.96 O ATOM 1795 CB ASP A 118 -13.418 10.956 13.469 1.00 1.07 C ATOM 1796 CG ASP A 118 -13.132 12.399 13.090 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -12.396 13.075 13.840 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -13.643 12.851 12.044 1.00 2.05 O ATOM 0 H ASP A 118 -13.922 8.551 13.165 1.00 1.00 H new ATOM 0 HA ASP A 118 -12.082 10.319 11.897 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -14.416 10.686 13.125 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -13.420 10.864 14.555 1.00 1.07 H new ATOM 1803 N GLU A 119 -11.219 9.151 14.868 1.00 0.82 N ATOM 1804 CA GLU A 119 -10.102 9.020 15.799 1.00 0.81 C ATOM 1805 C GLU A 119 -9.162 7.871 15.450 1.00 0.77 C ATOM 1806 O GLU A 119 -7.967 7.951 15.753 1.00 0.78 O ATOM 1807 CB GLU A 119 -10.605 8.873 17.239 1.00 0.89 C ATOM 1808 CG GLU A 119 -11.160 10.160 17.831 1.00 1.11 C ATOM 1809 CD GLU A 119 -11.649 9.983 19.255 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -12.840 9.654 19.437 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -10.841 10.172 20.189 1.00 2.07 O ATOM 0 H GLU A 119 -12.047 8.617 15.131 1.00 0.82 H new ATOM 0 HA GLU A 119 -9.524 9.940 15.710 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -11.381 8.108 17.266 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -9.786 8.520 17.866 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -10.387 10.929 17.809 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -11.982 10.516 17.210 1.00 1.11 H new ATOM 1818 N GLU A 120 -9.688 6.800 14.827 1.00 0.77 N ATOM 1819 CA GLU A 120 -8.876 5.659 14.433 1.00 0.80 C ATOM 1820 C GLU A 120 -7.756 6.090 13.489 1.00 0.80 C ATOM 1821 O GLU A 120 -6.611 5.660 13.650 1.00 0.81 O ATOM 1822 CB GLU A 120 -9.759 4.594 13.787 1.00 0.97 C ATOM 1823 CG GLU A 120 -10.318 3.589 14.782 1.00 1.21 C ATOM 1824 CD GLU A 120 -10.966 2.387 14.117 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -10.260 1.652 13.393 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -12.178 2.173 14.330 1.00 1.93 O ATOM 0 H GLU A 120 -10.676 6.712 14.590 1.00 0.77 H new ATOM 0 HA GLU A 120 -8.411 5.233 15.322 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -10.586 5.082 13.271 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -9.181 4.063 13.031 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -9.514 3.246 15.433 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -11.053 4.085 15.416 1.00 1.21 H new ATOM 1833 N VAL A 121 -8.093 6.945 12.509 1.00 0.84 N ATOM 1834 CA VAL A 121 -7.123 7.469 11.597 1.00 0.92 C ATOM 1835 C VAL A 121 -6.429 8.712 12.155 1.00 0.88 C ATOM 1836 O VAL A 121 -5.363 9.074 11.670 1.00 0.93 O ATOM 1837 CB VAL A 121 -7.717 7.710 10.196 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -8.026 9.159 9.947 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -6.747 7.203 9.168 1.00 2.24 C ATOM 0 H VAL A 121 -9.044 7.276 12.346 1.00 0.84 H new ATOM 0 HA VAL A 121 -6.353 6.707 11.479 1.00 0.92 H new ATOM 0 HB VAL A 121 -8.662 7.172 10.128 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -8.442 9.276 8.946 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -8.749 9.509 10.684 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -7.111 9.746 10.030 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -7.155 7.367 8.171 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -5.801 7.736 9.266 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -6.580 6.137 9.320 1.00 2.24 H new ATOM 1849 N ASP A 122 -7.035 9.364 13.167 1.00 0.86 N ATOM 1850 CA ASP A 122 -6.424 10.552 13.776 1.00 0.95 C ATOM 1851 C ASP A 122 -5.209 10.148 14.607 1.00 0.84 C ATOM 1852 O ASP A 122 -4.318 10.959 14.872 1.00 0.89 O ATOM 1853 CB ASP A 122 -7.438 11.318 14.632 1.00 1.08 C ATOM 1854 CG ASP A 122 -7.106 12.796 14.756 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -6.376 13.163 15.701 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -7.574 13.583 13.907 1.00 1.76 O ATOM 0 H ASP A 122 -7.931 9.091 13.571 1.00 0.86 H new ATOM 0 HA ASP A 122 -6.097 11.218 12.977 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -8.431 11.209 14.196 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -7.476 10.874 15.627 1.00 1.08 H new ATOM 1861 N GLU A 123 -5.211 8.884 15.026 1.00 0.75 N ATOM 1862 CA GLU A 123 -4.116 8.300 15.774 1.00 0.73 C ATOM 1863 C GLU A 123 -3.076 7.743 14.817 1.00 0.65 C ATOM 1864 O GLU A 123 -1.876 7.888 15.050 1.00 0.65 O ATOM 1865 CB GLU A 123 -4.620 7.215 16.731 1.00 0.78 C ATOM 1866 CG GLU A 123 -5.210 7.765 18.020 1.00 0.92 C ATOM 1867 CD GLU A 123 -5.699 6.672 18.950 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -6.882 6.285 18.841 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -4.900 6.203 19.787 1.00 1.87 O ATOM 0 H GLU A 123 -5.981 8.238 14.851 1.00 0.75 H new ATOM 0 HA GLU A 123 -3.652 9.079 16.379 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -5.375 6.616 16.222 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -3.795 6.546 16.976 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -4.458 8.364 18.533 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -6.039 8.431 17.781 1.00 0.92 H new ATOM 1876 N MET A 124 -3.552 7.115 13.728 1.00 0.63 N ATOM 1877 CA MET A 124 -2.668 6.576 12.687 1.00 0.64 C ATOM 1878 C MET A 124 -2.033 7.731 11.929 1.00 0.64 C ATOM 1879 O MET A 124 -0.978 7.587 11.309 1.00 0.67 O ATOM 1880 CB MET A 124 -3.426 5.668 11.704 1.00 0.70 C ATOM 1881 CG MET A 124 -4.133 4.482 12.347 1.00 1.18 C ATOM 1882 SD MET A 124 -2.988 3.258 13.009 1.00 2.12 S ATOM 1883 CE MET A 124 -4.130 2.049 13.672 1.00 2.40 C ATOM 0 H MET A 124 -4.545 6.969 13.548 1.00 0.63 H new ATOM 0 HA MET A 124 -1.903 5.970 13.171 1.00 0.64 H new ATOM 0 HB2 MET A 124 -4.164 6.268 11.172 1.00 0.70 H new ATOM 0 HB3 MET A 124 -2.723 5.294 10.960 1.00 0.70 H new ATOM 0 HG2 MET A 124 -4.777 4.841 13.150 1.00 1.18 H new ATOM 0 HG3 MET A 124 -4.779 4.006 11.609 1.00 1.18 H new ATOM 0 HE1 MET A 124 -3.571 1.226 14.118 1.00 2.40 H new ATOM 0 HE2 MET A 124 -4.755 2.517 14.433 1.00 2.40 H new ATOM 0 HE3 MET A 124 -4.761 1.666 12.870 1.00 2.40 H new ATOM 1893 N ILE A 125 -2.711 8.881 12.006 1.00 0.65 N ATOM 1894 CA ILE A 125 -2.257 10.111 11.392 1.00 0.70 C ATOM 1895 C ILE A 125 -1.234 10.781 12.311 1.00 0.66 C ATOM 1896 O ILE A 125 -0.262 11.381 11.843 1.00 0.68 O ATOM 1897 CB ILE A 125 -3.467 11.056 11.139 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -3.401 11.699 9.754 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -3.583 12.139 12.213 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -4.088 10.891 8.673 1.00 0.70 C ATOM 0 H ILE A 125 -3.597 8.974 12.503 1.00 0.65 H new ATOM 0 HA ILE A 125 -1.787 9.893 10.433 1.00 0.70 H new ATOM 0 HB ILE A 125 -4.359 10.432 11.189 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -3.857 12.688 9.801 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -2.356 11.842 9.479 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -4.441 12.776 11.997 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -3.715 11.671 13.189 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -2.676 12.743 12.220 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -3.999 11.410 7.719 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -3.618 9.910 8.597 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -5.142 10.770 8.924 1.00 0.70 H new ATOM 1912 N ARG A 126 -1.480 10.662 13.635 1.00 0.65 N ATOM 1913 CA ARG A 126 -0.603 11.257 14.629 1.00 0.68 C ATOM 1914 C ARG A 126 0.577 10.384 14.966 1.00 0.64 C ATOM 1915 O ARG A 126 1.530 10.813 15.626 1.00 0.69 O ATOM 1916 CB ARG A 126 -1.363 11.697 15.884 1.00 0.76 C ATOM 1917 CG ARG A 126 -2.167 12.974 15.696 1.00 1.02 C ATOM 1918 CD ARG A 126 -2.877 13.379 16.978 1.00 1.07 C ATOM 1919 NE ARG A 126 -3.649 14.616 16.812 1.00 1.63 N ATOM 1920 CZ ARG A 126 -4.283 15.259 17.803 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -4.253 14.800 19.053 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -4.953 16.372 17.537 1.00 2.58 N ATOM 0 H ARG A 126 -2.278 10.159 14.023 1.00 0.65 H new ATOM 0 HA ARG A 126 -0.197 12.158 14.168 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -2.036 10.896 16.190 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -0.651 11.843 16.697 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -1.505 13.778 15.376 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -2.900 12.830 14.903 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -3.543 12.576 17.293 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -2.143 13.514 17.772 1.00 1.07 H new ATOM 0 HE ARG A 126 -3.707 15.015 15.875 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -3.741 13.945 19.270 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -4.742 15.304 19.793 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -4.984 16.733 16.584 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -5.438 16.867 18.286 1.00 2.58 H new ATOM 1936 N GLU A 127 0.491 9.164 14.497 1.00 0.59 N ATOM 1937 CA GLU A 127 1.553 8.175 14.667 1.00 0.59 C ATOM 1938 C GLU A 127 2.739 8.528 13.759 1.00 0.59 C ATOM 1939 O GLU A 127 3.779 7.861 13.782 1.00 0.63 O ATOM 1940 CB GLU A 127 1.040 6.770 14.349 1.00 0.61 C ATOM 1941 CG GLU A 127 0.412 6.065 15.544 1.00 0.66 C ATOM 1942 CD GLU A 127 0.167 4.592 15.290 1.00 1.28 C ATOM 1943 OE1 GLU A 127 1.014 3.771 15.698 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -0.872 4.259 14.685 1.00 2.06 O ATOM 0 H GLU A 127 -0.318 8.817 13.982 1.00 0.59 H new ATOM 0 HA GLU A 127 1.882 8.189 15.706 1.00 0.59 H new ATOM 0 HB2 GLU A 127 0.304 6.834 13.548 1.00 0.61 H new ATOM 0 HB3 GLU A 127 1.867 6.166 13.975 1.00 0.61 H new ATOM 0 HG2 GLU A 127 1.064 6.177 16.411 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -0.533 6.549 15.791 1.00 0.66 H new ATOM 1951 N ALA A 128 2.557 9.603 12.966 1.00 0.59 N ATOM 1952 CA ALA A 128 3.582 10.065 12.028 1.00 0.64 C ATOM 1953 C ALA A 128 3.768 11.588 12.055 1.00 0.63 C ATOM 1954 O ALA A 128 4.540 12.127 11.251 1.00 0.65 O ATOM 1955 CB ALA A 128 3.244 9.610 10.615 1.00 0.72 C ATOM 0 H ALA A 128 1.705 10.164 12.962 1.00 0.59 H new ATOM 0 HA ALA A 128 4.525 9.620 12.346 1.00 0.64 H new ATOM 0 HB1 ALA A 128 4.013 9.959 9.926 1.00 0.72 H new ATOM 0 HB2 ALA A 128 3.197 8.521 10.585 1.00 0.72 H new ATOM 0 HB3 ALA A 128 2.279 10.023 10.321 1.00 0.72 H new ATOM 1961 N ALA A 129 3.077 12.289 12.980 1.00 0.67 N ATOM 1962 CA ALA A 129 3.192 13.755 13.085 1.00 0.72 C ATOM 1963 C ALA A 129 4.639 14.185 13.341 1.00 0.77 C ATOM 1964 O ALA A 129 5.198 13.940 14.418 1.00 0.86 O ATOM 1965 CB ALA A 129 2.279 14.299 14.180 1.00 0.83 C ATOM 0 H ALA A 129 2.441 11.867 13.657 1.00 0.67 H new ATOM 0 HA ALA A 129 2.876 14.174 12.130 1.00 0.72 H new ATOM 0 HB1 ALA A 129 2.384 15.383 14.236 1.00 0.83 H new ATOM 0 HB2 ALA A 129 1.244 14.046 13.950 1.00 0.83 H new ATOM 0 HB3 ALA A 129 2.556 13.858 15.137 1.00 0.83 H new ATOM 1971 N ILE A 130 5.233 14.810 12.325 1.00 0.77 N ATOM 1972 CA ILE A 130 6.610 15.289 12.403 1.00 0.87 C ATOM 1973 C ILE A 130 6.632 16.800 12.472 1.00 1.01 C ATOM 1974 O ILE A 130 5.857 17.485 11.799 1.00 1.27 O ATOM 1975 CB ILE A 130 7.506 14.737 11.244 1.00 0.91 C ATOM 1976 CG1 ILE A 130 8.817 15.519 11.059 1.00 1.07 C ATOM 1977 CG2 ILE A 130 6.755 14.654 9.916 1.00 1.28 C ATOM 1978 CD1 ILE A 130 9.980 14.914 11.813 1.00 1.57 C ATOM 0 H ILE A 130 4.777 14.997 11.432 1.00 0.77 H new ATOM 0 HA ILE A 130 7.047 14.898 13.322 1.00 0.87 H new ATOM 0 HB ILE A 130 7.771 13.727 11.556 1.00 0.91 H new ATOM 0 HG12 ILE A 130 9.062 15.560 9.998 1.00 1.07 H new ATOM 0 HG13 ILE A 130 8.670 16.546 11.392 1.00 1.07 H new ATOM 0 HG21 ILE A 130 7.421 14.265 9.145 1.00 1.28 H new ATOM 0 HG22 ILE A 130 5.898 13.990 10.024 1.00 1.28 H new ATOM 0 HG23 ILE A 130 6.410 15.648 9.630 1.00 1.28 H new ATOM 0 HD11 ILE A 130 10.875 15.512 11.642 1.00 1.57 H new ATOM 0 HD12 ILE A 130 9.753 14.897 12.879 1.00 1.57 H new ATOM 0 HD13 ILE A 130 10.151 13.896 11.463 1.00 1.57 H new ATOM 1990 N ASP A 131 7.582 17.292 13.275 1.00 1.22 N ATOM 1991 CA ASP A 131 7.782 18.735 13.562 1.00 1.45 C ATOM 1992 C ASP A 131 6.556 19.382 14.240 1.00 1.44 C ATOM 1993 O ASP A 131 6.694 20.290 15.065 1.00 1.64 O ATOM 1994 CB ASP A 131 8.148 19.482 12.277 1.00 1.64 C ATOM 1995 CG ASP A 131 8.934 20.758 12.529 1.00 2.27 C ATOM 1996 OD1 ASP A 131 10.181 20.690 12.567 1.00 2.70 O ATOM 1997 OD2 ASP A 131 8.302 21.824 12.687 1.00 2.90 O ATOM 0 H ASP A 131 8.252 16.694 13.758 1.00 1.22 H new ATOM 0 HA ASP A 131 8.606 18.812 14.271 1.00 1.45 H new ATOM 0 HB2 ASP A 131 8.733 18.823 11.636 1.00 1.64 H new ATOM 0 HB3 ASP A 131 7.235 19.727 11.734 1.00 1.64 H new ATOM 2002 N GLY A 132 5.382 18.891 13.869 1.00 1.31 N ATOM 2003 CA GLY A 132 4.115 19.373 14.399 1.00 1.35 C ATOM 2004 C GLY A 132 3.080 19.594 13.307 1.00 1.46 C ATOM 2005 O GLY A 132 1.877 19.623 13.586 1.00 1.75 O ATOM 0 H GLY A 132 5.282 18.140 13.186 1.00 1.31 H new ATOM 0 HA2 GLY A 132 3.729 18.655 15.122 1.00 1.35 H new ATOM 0 HA3 GLY A 132 4.280 20.308 14.935 1.00 1.35 H new ATOM 2009 N ASP A 133 3.555 19.750 12.063 1.00 1.34 N ATOM 2010 CA ASP A 133 2.681 19.953 10.903 1.00 1.49 C ATOM 2011 C ASP A 133 2.383 18.618 10.215 1.00 1.37 C ATOM 2012 O ASP A 133 1.240 18.355 9.829 1.00 1.69 O ATOM 2013 CB ASP A 133 3.321 20.930 9.908 1.00 1.52 C ATOM 2014 CG ASP A 133 3.368 22.353 10.433 1.00 1.94 C ATOM 2015 OD1 ASP A 133 2.400 23.106 10.195 1.00 2.14 O ATOM 2016 OD2 ASP A 133 4.372 22.714 11.082 1.00 2.60 O ATOM 0 H ASP A 133 4.549 19.739 11.835 1.00 1.34 H new ATOM 0 HA ASP A 133 1.742 20.381 11.255 1.00 1.49 H new ATOM 0 HB2 ASP A 133 4.334 20.598 9.679 1.00 1.52 H new ATOM 0 HB3 ASP A 133 2.760 20.910 8.974 1.00 1.52 H new ATOM 2021 N GLY A 134 3.425 17.786 10.070 1.00 1.04 N ATOM 2022 CA GLY A 134 3.275 16.476 9.450 1.00 1.15 C ATOM 2023 C GLY A 134 3.791 16.405 8.020 1.00 1.03 C ATOM 2024 O GLY A 134 3.964 15.307 7.486 1.00 1.25 O ATOM 0 H GLY A 134 4.374 18.003 10.375 1.00 1.04 H new ATOM 0 HA2 GLY A 134 3.803 15.737 10.053 1.00 1.15 H new ATOM 0 HA3 GLY A 134 2.221 16.200 9.459 1.00 1.15 H new ATOM 2028 N GLN A 135 4.066 17.568 7.403 1.00 0.84 N ATOM 2029 CA GLN A 135 4.557 17.627 6.010 1.00 0.77 C ATOM 2030 C GLN A 135 5.899 16.926 5.838 1.00 0.74 C ATOM 2031 O GLN A 135 6.873 17.235 6.530 1.00 0.80 O ATOM 2032 CB GLN A 135 4.616 19.072 5.483 1.00 0.80 C ATOM 2033 CG GLN A 135 5.123 20.114 6.482 1.00 1.03 C ATOM 2034 CD GLN A 135 4.995 21.533 5.963 1.00 1.40 C ATOM 2035 OE1 GLN A 135 3.967 22.184 6.151 1.00 2.05 O ATOM 2036 NE2 GLN A 135 6.042 22.022 5.311 1.00 1.98 N ATOM 0 H GLN A 135 3.957 18.481 7.845 1.00 0.84 H new ATOM 0 HA GLN A 135 3.830 17.083 5.407 1.00 0.77 H new ATOM 0 HB2 GLN A 135 5.259 19.094 4.603 1.00 0.80 H new ATOM 0 HB3 GLN A 135 3.618 19.363 5.156 1.00 0.80 H new ATOM 0 HG2 GLN A 135 4.564 20.020 7.413 1.00 1.03 H new ATOM 0 HG3 GLN A 135 6.168 19.910 6.715 1.00 1.03 H new ATOM 0 HE21 GLN A 135 6.874 21.447 5.178 1.00 1.98 H new ATOM 0 HE22 GLN A 135 6.015 22.973 4.943 1.00 1.98 H new ATOM 2045 N VAL A 136 5.918 15.976 4.897 1.00 0.69 N ATOM 2046 CA VAL A 136 7.130 15.173 4.624 1.00 0.68 C ATOM 2047 C VAL A 136 7.285 14.820 3.146 1.00 0.64 C ATOM 2048 O VAL A 136 6.319 14.445 2.479 1.00 0.67 O ATOM 2049 CB VAL A 136 7.201 13.862 5.455 1.00 0.75 C ATOM 2050 CG1 VAL A 136 8.155 14.039 6.624 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.830 13.410 5.953 1.00 0.88 C ATOM 0 H VAL A 136 5.117 15.740 4.311 1.00 0.69 H new ATOM 0 HA VAL A 136 7.951 15.823 4.927 1.00 0.68 H new ATOM 0 HB VAL A 136 7.573 13.079 4.794 1.00 0.75 H new ATOM 0 HG11 VAL A 136 8.199 13.115 7.201 1.00 0.91 H new ATOM 0 HG12 VAL A 136 9.150 14.280 6.249 1.00 0.91 H new ATOM 0 HG13 VAL A 136 7.802 14.849 7.262 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.937 12.490 6.528 1.00 0.88 H new ATOM 0 HG22 VAL A 136 5.399 14.185 6.586 1.00 0.88 H new ATOM 0 HG23 VAL A 136 5.174 13.232 5.101 1.00 0.88 H new ATOM 2061 N ASN A 137 8.525 14.952 2.657 1.00 0.63 N ATOM 2062 CA ASN A 137 8.875 14.673 1.265 1.00 0.62 C ATOM 2063 C ASN A 137 9.403 13.244 1.029 1.00 0.59 C ATOM 2064 O ASN A 137 9.292 12.359 1.881 1.00 0.59 O ATOM 2065 CB ASN A 137 9.919 15.711 0.801 1.00 0.66 C ATOM 2066 CG ASN A 137 11.131 15.830 1.720 1.00 0.80 C ATOM 2067 OD1 ASN A 137 12.163 15.041 1.444 1.00 1.18 O flip ATOM 2068 ND2 ASN A 137 11.134 16.621 2.663 1.00 1.45 N flip ATOM 0 H ASN A 137 9.316 15.258 3.223 1.00 0.63 H new ATOM 0 HA ASN A 137 7.959 14.748 0.679 1.00 0.62 H new ATOM 0 HB2 ASN A 137 10.260 15.445 -0.200 1.00 0.66 H new ATOM 0 HB3 ASN A 137 9.437 16.686 0.725 1.00 0.66 H new ATOM 0 HD21 ASN A 137 10.319 17.208 2.838 1.00 1.45 H new ATOM 0 HD22 ASN A 137 11.952 16.689 3.269 1.00 1.45 H new ATOM 2075 N TYR A 138 9.972 13.078 -0.176 1.00 0.62 N ATOM 2076 CA TYR A 138 10.592 11.853 -0.712 1.00 0.66 C ATOM 2077 C TYR A 138 11.473 11.074 0.293 1.00 0.61 C ATOM 2078 O TYR A 138 11.726 9.887 0.089 1.00 0.67 O ATOM 2079 CB TYR A 138 11.406 12.328 -1.926 1.00 0.75 C ATOM 2080 CG TYR A 138 12.094 11.265 -2.771 1.00 1.21 C ATOM 2081 CD1 TYR A 138 13.317 10.727 -2.386 1.00 1.93 C ATOM 2082 CD2 TYR A 138 11.542 10.839 -3.972 1.00 2.03 C ATOM 2083 CE1 TYR A 138 13.967 9.794 -3.170 1.00 2.59 C ATOM 2084 CE2 TYR A 138 12.184 9.901 -4.758 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.397 9.384 -4.354 1.00 2.81 C ATOM 2086 OH TYR A 138 14.042 8.457 -5.139 1.00 3.66 O ATOM 0 H TYR A 138 10.014 13.846 -0.846 1.00 0.62 H new ATOM 0 HA TYR A 138 9.819 11.128 -0.967 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.740 12.895 -2.576 1.00 0.75 H new ATOM 0 HB3 TYR A 138 12.169 13.020 -1.569 1.00 0.75 H new ATOM 0 HD1 TYR A 138 13.767 11.044 -1.457 1.00 1.93 H new ATOM 0 HD2 TYR A 138 10.596 11.247 -4.297 1.00 2.03 H new ATOM 0 HE1 TYR A 138 14.917 9.388 -2.856 1.00 2.59 H new ATOM 0 HE2 TYR A 138 11.737 9.574 -5.685 1.00 2.76 H new ATOM 0 HH TYR A 138 13.505 8.276 -5.939 1.00 3.66 H new ATOM 2096 N GLU A 139 11.933 11.738 1.360 1.00 0.57 N ATOM 2097 CA GLU A 139 12.801 11.107 2.370 1.00 0.60 C ATOM 2098 C GLU A 139 12.147 9.900 3.073 1.00 0.54 C ATOM 2099 O GLU A 139 12.752 8.825 3.136 1.00 0.57 O ATOM 2100 CB GLU A 139 13.238 12.144 3.414 1.00 0.68 C ATOM 2101 CG GLU A 139 14.308 13.104 2.915 1.00 0.89 C ATOM 2102 CD GLU A 139 14.686 14.145 3.950 1.00 1.36 C ATOM 2103 OE1 GLU A 139 14.054 15.222 3.968 1.00 2.24 O ATOM 2104 OE2 GLU A 139 15.615 13.883 4.743 1.00 1.61 O ATOM 0 H GLU A 139 11.719 12.717 1.550 1.00 0.57 H new ATOM 0 HA GLU A 139 13.669 10.724 1.833 1.00 0.60 H new ATOM 0 HB2 GLU A 139 12.367 12.718 3.729 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.613 11.623 4.295 1.00 0.68 H new ATOM 0 HG2 GLU A 139 15.196 12.538 2.633 1.00 0.89 H new ATOM 0 HG3 GLU A 139 13.951 13.605 2.015 1.00 0.89 H new ATOM 2111 N GLU A 140 10.923 10.081 3.594 1.00 0.51 N ATOM 2112 CA GLU A 140 10.219 9.008 4.316 1.00 0.52 C ATOM 2113 C GLU A 140 9.345 8.128 3.417 1.00 0.47 C ATOM 2114 O GLU A 140 9.363 6.901 3.559 1.00 0.49 O ATOM 2115 CB GLU A 140 9.375 9.595 5.451 1.00 0.59 C ATOM 2116 CG GLU A 140 10.187 9.976 6.680 1.00 1.02 C ATOM 2117 CD GLU A 140 9.316 10.405 7.845 1.00 1.31 C ATOM 2118 OE1 GLU A 140 9.271 11.619 8.137 1.00 1.91 O ATOM 2119 OE2 GLU A 140 8.679 9.528 8.465 1.00 2.02 O ATOM 0 H GLU A 140 10.402 10.956 3.530 1.00 0.51 H new ATOM 0 HA GLU A 140 10.996 8.359 4.721 1.00 0.52 H new ATOM 0 HB2 GLU A 140 8.851 10.478 5.084 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.614 8.870 5.739 1.00 0.59 H new ATOM 0 HG2 GLU A 140 10.800 9.127 6.983 1.00 1.02 H new ATOM 0 HG3 GLU A 140 10.869 10.787 6.423 1.00 1.02 H new ATOM 2126 N PHE A 141 8.581 8.746 2.498 1.00 0.45 N ATOM 2127 CA PHE A 141 7.677 8.003 1.589 1.00 0.43 C ATOM 2128 C PHE A 141 8.419 6.977 0.731 1.00 0.41 C ATOM 2129 O PHE A 141 7.849 5.951 0.346 1.00 0.44 O ATOM 2130 CB PHE A 141 6.905 8.972 0.695 1.00 0.45 C ATOM 2131 CG PHE A 141 5.853 9.752 1.434 1.00 0.69 C ATOM 2132 CD1 PHE A 141 6.162 10.964 2.029 1.00 1.33 C ATOM 2133 CD2 PHE A 141 4.559 9.267 1.540 1.00 1.55 C ATOM 2134 CE1 PHE A 141 5.201 11.677 2.716 1.00 1.59 C ATOM 2135 CE2 PHE A 141 3.593 9.978 2.225 1.00 1.88 C ATOM 2136 CZ PHE A 141 3.915 11.184 2.815 1.00 1.54 C ATOM 0 H PHE A 141 8.569 9.757 2.362 1.00 0.45 H new ATOM 0 HA PHE A 141 6.979 7.453 2.220 1.00 0.43 H new ATOM 0 HB2 PHE A 141 7.606 9.667 0.234 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.433 8.413 -0.113 1.00 0.45 H new ATOM 0 HD1 PHE A 141 7.166 11.355 1.954 1.00 1.33 H new ATOM 0 HD2 PHE A 141 4.303 8.323 1.082 1.00 1.55 H new ATOM 0 HE1 PHE A 141 5.455 12.621 3.176 1.00 1.59 H new ATOM 0 HE2 PHE A 141 2.587 9.591 2.299 1.00 1.88 H new ATOM 0 HZ PHE A 141 3.162 11.741 3.353 1.00 1.54 H new ATOM 2146 N VAL A 142 9.687 7.269 0.443 1.00 0.42 N ATOM 2147 CA VAL A 142 10.547 6.380 -0.334 1.00 0.44 C ATOM 2148 C VAL A 142 11.143 5.315 0.563 1.00 0.46 C ATOM 2149 O VAL A 142 11.087 4.134 0.236 1.00 0.48 O ATOM 2150 CB VAL A 142 11.677 7.177 -1.009 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.952 6.352 -1.212 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.201 7.793 -2.321 1.00 0.50 C ATOM 0 H VAL A 142 10.146 8.129 0.742 1.00 0.42 H new ATOM 0 HA VAL A 142 9.941 5.904 -1.105 1.00 0.44 H new ATOM 0 HB VAL A 142 11.942 7.983 -0.325 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.712 6.969 -1.692 1.00 0.53 H new ATOM 0 HG12 VAL A 142 13.321 6.009 -0.246 1.00 0.53 H new ATOM 0 HG13 VAL A 142 12.732 5.491 -1.843 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.018 8.351 -2.778 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.878 7.002 -2.998 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.367 8.466 -2.125 1.00 0.50 H new ATOM 2162 N GLN A 143 11.711 5.758 1.697 1.00 0.49 N ATOM 2163 CA GLN A 143 12.338 4.866 2.664 1.00 0.54 C ATOM 2164 C GLN A 143 11.343 3.817 3.145 1.00 0.52 C ATOM 2165 O GLN A 143 11.724 2.697 3.499 1.00 0.57 O ATOM 2166 CB GLN A 143 12.874 5.689 3.831 1.00 0.59 C ATOM 2167 CG GLN A 143 14.063 5.066 4.561 1.00 0.64 C ATOM 2168 CD GLN A 143 15.381 5.271 3.833 1.00 0.89 C ATOM 2169 OE1 GLN A 143 16.080 6.260 4.056 1.00 1.62 O ATOM 2170 NE2 GLN A 143 15.724 4.334 2.957 1.00 1.55 N ATOM 0 H GLN A 143 11.744 6.743 1.961 1.00 0.49 H new ATOM 0 HA GLN A 143 13.168 4.341 2.191 1.00 0.54 H new ATOM 0 HB2 GLN A 143 13.167 6.671 3.460 1.00 0.59 H new ATOM 0 HB3 GLN A 143 12.068 5.846 4.547 1.00 0.59 H new ATOM 0 HG2 GLN A 143 14.135 5.497 5.560 1.00 0.64 H new ATOM 0 HG3 GLN A 143 13.886 3.998 4.687 1.00 0.64 H new ATOM 0 HE21 GLN A 143 15.114 3.531 2.804 1.00 1.55 H new ATOM 0 HE22 GLN A 143 16.598 4.417 2.437 1.00 1.55 H new ATOM 2179 N MET A 144 10.065 4.212 3.152 1.00 0.49 N ATOM 2180 CA MET A 144 8.972 3.324 3.499 1.00 0.49 C ATOM 2181 C MET A 144 8.953 2.156 2.509 1.00 0.51 C ATOM 2182 O MET A 144 8.678 1.014 2.887 1.00 0.58 O ATOM 2183 CB MET A 144 7.638 4.082 3.437 1.00 0.52 C ATOM 2184 CG MET A 144 6.598 3.601 4.440 1.00 0.93 C ATOM 2185 SD MET A 144 6.923 4.182 6.118 1.00 2.33 S ATOM 2186 CE MET A 144 6.276 5.853 6.047 1.00 3.20 C ATOM 0 H MET A 144 9.769 5.159 2.916 1.00 0.49 H new ATOM 0 HA MET A 144 9.112 2.948 4.513 1.00 0.49 H new ATOM 0 HB2 MET A 144 7.827 5.142 3.607 1.00 0.52 H new ATOM 0 HB3 MET A 144 7.227 3.989 2.432 1.00 0.52 H new ATOM 0 HG2 MET A 144 5.612 3.944 4.126 1.00 0.93 H new ATOM 0 HG3 MET A 144 6.573 2.511 4.436 1.00 0.93 H new ATOM 0 HE1 MET A 144 6.408 6.336 7.015 1.00 3.20 H new ATOM 0 HE2 MET A 144 6.811 6.418 5.284 1.00 3.20 H new ATOM 0 HE3 MET A 144 5.215 5.822 5.799 1.00 3.20 H new ATOM 2196 N MET A 145 9.254 2.473 1.231 1.00 0.49 N ATOM 2197 CA MET A 145 9.285 1.459 0.177 1.00 0.56 C ATOM 2198 C MET A 145 10.691 0.859 -0.034 1.00 0.62 C ATOM 2199 O MET A 145 10.798 -0.310 -0.416 1.00 0.75 O ATOM 2200 CB MET A 145 8.728 2.023 -1.140 1.00 0.58 C ATOM 2201 CG MET A 145 8.383 0.947 -2.174 1.00 1.52 C ATOM 2202 SD MET A 145 8.404 1.557 -3.871 1.00 2.50 S ATOM 2203 CE MET A 145 8.078 0.046 -4.777 1.00 3.22 C ATOM 0 H MET A 145 9.476 3.417 0.915 1.00 0.49 H new ATOM 0 HA MET A 145 8.643 0.643 0.509 1.00 0.56 H new ATOM 0 HB2 MET A 145 7.834 2.608 -0.925 1.00 0.58 H new ATOM 0 HB3 MET A 145 9.460 2.707 -1.570 1.00 0.58 H new ATOM 0 HG2 MET A 145 9.092 0.124 -2.082 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.395 0.543 -1.952 1.00 1.52 H new ATOM 0 HE1 MET A 145 7.884 0.284 -5.823 1.00 3.22 H new ATOM 0 HE2 MET A 145 8.944 -0.613 -4.709 1.00 3.22 H new ATOM 0 HE3 MET A 145 7.208 -0.453 -4.351 1.00 3.22 H new ATOM 2213 N THR A 146 11.768 1.643 0.213 1.00 0.59 N ATOM 2214 CA THR A 146 13.133 1.161 -0.003 1.00 0.68 C ATOM 2215 C THR A 146 13.602 0.195 1.091 1.00 0.78 C ATOM 2216 O THR A 146 14.463 -0.655 0.845 1.00 0.89 O ATOM 2217 CB THR A 146 14.159 2.312 -0.099 1.00 0.69 C ATOM 2218 OG1 THR A 146 13.576 3.559 0.284 1.00 0.63 O ATOM 2219 CG2 THR A 146 14.718 2.428 -1.510 1.00 0.71 C ATOM 0 H THR A 146 11.709 2.601 0.558 1.00 0.59 H new ATOM 0 HA THR A 146 13.088 0.632 -0.955 1.00 0.68 H new ATOM 0 HB THR A 146 14.971 2.077 0.589 1.00 0.69 H new ATOM 0 HG1 THR A 146 14.286 4.211 0.462 1.00 0.63 H new ATOM 0 HG21 THR A 146 15.438 3.246 -1.550 1.00 0.71 H new ATOM 0 HG22 THR A 146 15.212 1.496 -1.783 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.905 2.626 -2.208 1.00 0.71 H new ATOM 2227 N ALA A 147 13.028 0.336 2.292 1.00 0.77 N ATOM 2228 CA ALA A 147 13.363 -0.509 3.432 1.00 0.88 C ATOM 2229 C ALA A 147 12.586 -1.825 3.410 1.00 0.94 C ATOM 2230 O ALA A 147 11.389 -1.842 3.106 1.00 0.91 O ATOM 2231 CB ALA A 147 13.105 0.235 4.733 1.00 0.90 C ATOM 0 H ALA A 147 12.319 1.041 2.495 1.00 0.77 H new ATOM 0 HA ALA A 147 14.423 -0.752 3.363 1.00 0.88 H new ATOM 0 HB1 ALA A 147 13.359 -0.407 5.576 1.00 0.90 H new ATOM 0 HB2 ALA A 147 13.718 1.135 4.765 1.00 0.90 H new ATOM 0 HB3 ALA A 147 12.052 0.511 4.792 1.00 0.90 H new ATOM 2237 N LYS A 148 13.282 -2.919 3.735 1.00 1.08 N ATOM 2238 CA LYS A 148 12.677 -4.253 3.759 1.00 1.19 C ATOM 2239 C LYS A 148 12.313 -4.660 5.187 1.00 1.63 C ATOM 2240 O LYS A 148 13.227 -4.734 6.037 1.00 2.21 O ATOM 2241 CB LYS A 148 13.627 -5.291 3.136 1.00 1.53 C ATOM 2242 CG LYS A 148 13.786 -5.172 1.621 1.00 2.17 C ATOM 2243 CD LYS A 148 14.871 -4.169 1.239 1.00 2.29 C ATOM 2244 CE LYS A 148 15.027 -4.053 -0.271 1.00 3.11 C ATOM 2245 NZ LYS A 148 13.896 -3.312 -0.899 1.00 3.56 N ATOM 2246 OXT LYS A 148 11.114 -4.900 5.442 1.00 2.14 O ATOM 0 H LYS A 148 14.270 -2.905 3.986 1.00 1.08 H new ATOM 0 HA LYS A 148 11.762 -4.218 3.167 1.00 1.19 H new ATOM 0 HB2 LYS A 148 14.608 -5.193 3.601 1.00 1.53 H new ATOM 0 HB3 LYS A 148 13.260 -6.290 3.373 1.00 1.53 H new ATOM 0 HG2 LYS A 148 14.032 -6.149 1.204 1.00 2.17 H new ATOM 0 HG3 LYS A 148 12.837 -4.866 1.179 1.00 2.17 H new ATOM 0 HD2 LYS A 148 14.626 -3.192 1.655 1.00 2.29 H new ATOM 0 HD3 LYS A 148 15.820 -4.474 1.680 1.00 2.29 H new ATOM 0 HE2 LYS A 148 15.964 -3.545 -0.500 1.00 3.11 H new ATOM 0 HE3 LYS A 148 15.091 -5.051 -0.706 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 14.062 -3.228 -1.922 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 13.008 -3.828 -0.733 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 13.828 -2.362 -0.480 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 3.128 -20.315 31.673 1.00 0.00 N ATOM 2262 CA ALA B 503 2.366 -19.048 31.822 1.00 0.00 C ATOM 2263 C ALA B 503 2.870 -18.244 33.015 1.00 0.00 C ATOM 2264 O ALA B 503 3.170 -18.810 34.071 1.00 0.00 O ATOM 2265 CB ALA B 503 0.881 -19.342 31.974 1.00 0.00 C ATOM 0 HA ALA B 503 2.519 -18.452 30.922 1.00 0.00 H new ATOM 0 HB1 ALA B 503 0.334 -18.405 32.082 1.00 0.00 H new ATOM 0 HB2 ALA B 503 0.523 -19.872 31.091 1.00 0.00 H new ATOM 0 HB3 ALA B 503 0.721 -19.960 32.858 1.00 0.00 H new ATOM 2273 N GLY B 504 2.958 -16.922 32.832 1.00 0.00 N ATOM 2274 CA GLY B 504 3.424 -16.038 33.890 1.00 0.00 C ATOM 2275 C GLY B 504 4.131 -14.810 33.351 1.00 0.00 C ATOM 2276 O GLY B 504 5.247 -14.911 32.833 1.00 0.00 O ATOM 0 H GLY B 504 2.712 -16.448 31.963 1.00 0.00 H new ATOM 0 HA2 GLY B 504 2.575 -15.727 34.499 1.00 0.00 H new ATOM 0 HA3 GLY B 504 4.102 -16.586 34.544 1.00 0.00 H new ATOM 2280 N HIS B 505 3.475 -13.653 33.477 1.00 0.00 N ATOM 2281 CA HIS B 505 4.032 -12.383 33.003 1.00 0.00 C ATOM 2282 C HIS B 505 4.001 -11.321 34.104 1.00 0.00 C ATOM 2283 O HIS B 505 4.979 -10.594 34.294 1.00 0.00 O ATOM 2284 CB HIS B 505 3.266 -11.885 31.771 1.00 0.00 C ATOM 2285 CG HIS B 505 3.487 -12.719 30.545 1.00 0.00 C ATOM 2286 ND1 HIS B 505 2.586 -13.667 30.106 1.00 0.00 N ATOM 2287 CD2 HIS B 505 4.513 -12.740 29.661 1.00 0.00 C ATOM 2288 CE1 HIS B 505 3.049 -14.236 29.007 1.00 0.00 C ATOM 2289 NE2 HIS B 505 4.215 -13.691 28.716 1.00 0.00 N ATOM 0 H HIS B 505 2.553 -13.570 33.905 1.00 0.00 H new ATOM 0 HA HIS B 505 5.071 -12.559 32.726 1.00 0.00 H new ATOM 0 HB2 HIS B 505 2.200 -11.867 32.000 1.00 0.00 H new ATOM 0 HB3 HIS B 505 3.564 -10.858 31.560 1.00 0.00 H new ATOM 0 HD2 HIS B 505 5.400 -12.124 29.693 1.00 0.00 H new ATOM 0 HE1 HIS B 505 2.557 -15.015 28.443 1.00 0.00 H new ATOM 0 HE2 HIS B 505 4.801 -13.936 27.918 1.00 0.00 H new ATOM 2298 N MET B 506 2.858 -11.245 34.829 1.00 0.00 N ATOM 2299 CA MET B 506 2.630 -10.284 35.941 1.00 0.00 C ATOM 2300 C MET B 506 2.477 -8.838 35.443 1.00 0.00 C ATOM 2301 O MET B 506 1.511 -8.158 35.803 1.00 0.00 O ATOM 2302 CB MET B 506 3.733 -10.361 37.019 1.00 0.00 C ATOM 2303 CG MET B 506 3.680 -11.624 37.866 1.00 0.00 C ATOM 2304 SD MET B 506 4.005 -13.120 36.912 1.00 0.00 S ATOM 2305 CE MET B 506 3.874 -14.370 38.187 1.00 0.00 C ATOM 0 H MET B 506 2.059 -11.855 34.658 1.00 0.00 H new ATOM 0 HA MET B 506 1.688 -10.584 36.399 1.00 0.00 H new ATOM 0 HB2 MET B 506 4.707 -10.302 36.533 1.00 0.00 H new ATOM 0 HB3 MET B 506 3.650 -9.493 37.673 1.00 0.00 H new ATOM 0 HG2 MET B 506 4.410 -11.547 38.672 1.00 0.00 H new ATOM 0 HG3 MET B 506 2.698 -11.702 38.332 1.00 0.00 H new ATOM 0 HE1 MET B 506 4.050 -15.354 37.752 1.00 0.00 H new ATOM 0 HE2 MET B 506 4.616 -14.178 38.962 1.00 0.00 H new ATOM 0 HE3 MET B 506 2.876 -14.340 38.624 1.00 0.00 H new ATOM 2315 N ARG B 507 3.429 -8.381 34.620 1.00 0.00 N ATOM 2316 CA ARG B 507 3.405 -7.023 34.073 1.00 0.00 C ATOM 2317 C ARG B 507 3.130 -7.046 32.559 1.00 0.00 C ATOM 2318 O ARG B 507 3.870 -7.702 31.818 1.00 0.00 O ATOM 2319 CB ARG B 507 4.735 -6.311 34.352 1.00 0.00 C ATOM 2320 CG ARG B 507 4.922 -5.901 35.806 1.00 0.00 C ATOM 2321 CD ARG B 507 6.259 -5.210 36.022 1.00 0.00 C ATOM 2322 NE ARG B 507 6.452 -4.813 37.421 1.00 0.00 N ATOM 2323 CZ ARG B 507 7.559 -4.229 37.904 1.00 0.00 C ATOM 2324 NH1 ARG B 507 8.597 -3.960 37.113 1.00 0.00 N ATOM 2325 NH2 ARG B 507 7.625 -3.913 39.190 1.00 0.00 N ATOM 0 H ARG B 507 4.229 -8.937 34.318 1.00 0.00 H new ATOM 0 HA ARG B 507 2.599 -6.476 34.563 1.00 0.00 H new ATOM 0 HB2 ARG B 507 5.555 -6.967 34.061 1.00 0.00 H new ATOM 0 HB3 ARG B 507 4.799 -5.423 33.723 1.00 0.00 H new ATOM 0 HG2 ARG B 507 4.114 -5.233 36.104 1.00 0.00 H new ATOM 0 HG3 ARG B 507 4.859 -6.782 36.445 1.00 0.00 H new ATOM 0 HD2 ARG B 507 7.066 -5.878 35.720 1.00 0.00 H new ATOM 0 HD3 ARG B 507 6.319 -4.329 35.383 1.00 0.00 H new ATOM 0 HE ARG B 507 5.689 -4.994 38.074 1.00 0.00 H new ATOM 0 HH11 ARG B 507 8.558 -4.199 36.122 1.00 0.00 H new ATOM 0 HH12 ARG B 507 9.430 -3.516 37.498 1.00 0.00 H new ATOM 0 HH21 ARG B 507 6.837 -4.114 39.806 1.00 0.00 H new ATOM 0 HH22 ARG B 507 8.464 -3.469 39.564 1.00 0.00 H new ATOM 2339 N PRO B 508 2.058 -6.342 32.059 1.00 0.00 N ATOM 2340 CA PRO B 508 1.733 -6.306 30.614 1.00 0.00 C ATOM 2341 C PRO B 508 2.794 -5.581 29.782 1.00 0.00 C ATOM 2342 O PRO B 508 3.544 -4.753 30.308 1.00 0.00 O ATOM 2343 CB PRO B 508 0.406 -5.534 30.547 1.00 0.00 C ATOM 2344 CG PRO B 508 -0.126 -5.519 31.937 1.00 0.00 C ATOM 2345 CD PRO B 508 1.071 -5.555 32.840 1.00 0.00 C ATOM 0 HA PRO B 508 1.681 -7.314 30.203 1.00 0.00 H new ATOM 0 HB2 PRO B 508 0.562 -4.521 30.177 1.00 0.00 H new ATOM 0 HB3 PRO B 508 -0.294 -6.018 29.866 1.00 0.00 H new ATOM 0 HG2 PRO B 508 -0.723 -4.625 32.116 1.00 0.00 H new ATOM 0 HG3 PRO B 508 -0.775 -6.376 32.115 1.00 0.00 H new ATOM 0 HD2 PRO B 508 1.439 -4.553 33.062 1.00 0.00 H new ATOM 0 HD3 PRO B 508 0.842 -6.029 33.794 1.00 0.00 H new ATOM 2353 N LYS B 509 2.842 -5.906 28.487 1.00 0.00 N ATOM 2354 CA LYS B 509 3.804 -5.298 27.564 1.00 0.00 C ATOM 2355 C LYS B 509 3.101 -4.375 26.572 1.00 0.00 C ATOM 2356 O LYS B 509 1.940 -4.602 26.218 1.00 0.00 O ATOM 2357 CB LYS B 509 4.580 -6.381 26.806 1.00 0.00 C ATOM 2358 CG LYS B 509 5.609 -7.111 27.657 1.00 0.00 C ATOM 2359 CD LYS B 509 6.345 -8.172 26.854 1.00 0.00 C ATOM 2360 CE LYS B 509 7.372 -8.901 27.704 1.00 0.00 C ATOM 2361 NZ LYS B 509 8.098 -9.943 26.926 1.00 0.00 N ATOM 0 H LYS B 509 2.223 -6.590 28.053 1.00 0.00 H new ATOM 0 HA LYS B 509 4.504 -4.706 28.153 1.00 0.00 H new ATOM 0 HB2 LYS B 509 3.873 -7.107 26.405 1.00 0.00 H new ATOM 0 HB3 LYS B 509 5.085 -5.924 25.955 1.00 0.00 H new ATOM 0 HG2 LYS B 509 6.326 -6.394 28.058 1.00 0.00 H new ATOM 0 HG3 LYS B 509 5.114 -7.577 28.509 1.00 0.00 H new ATOM 0 HD2 LYS B 509 5.628 -8.889 26.453 1.00 0.00 H new ATOM 0 HD3 LYS B 509 6.841 -7.706 26.002 1.00 0.00 H new ATOM 0 HE2 LYS B 509 8.087 -8.183 28.105 1.00 0.00 H new ATOM 0 HE3 LYS B 509 6.875 -9.365 28.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 8.789 -10.417 27.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 7.419 -10.643 26.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 8.594 -9.498 26.128 1.00 0.00 H new ATOM 2375 N ARG B 510 3.819 -3.337 26.132 1.00 0.00 N ATOM 2376 CA ARG B 510 3.284 -2.363 25.178 1.00 0.00 C ATOM 2377 C ARG B 510 3.765 -2.668 23.762 1.00 0.00 C ATOM 2378 O ARG B 510 4.924 -3.044 23.562 1.00 0.00 O ATOM 2379 CB ARG B 510 3.696 -0.940 25.571 1.00 0.00 C ATOM 2380 CG ARG B 510 2.967 -0.402 26.794 1.00 0.00 C ATOM 2381 CD ARG B 510 3.439 0.997 27.154 1.00 0.00 C ATOM 2382 NE ARG B 510 2.750 1.523 28.337 1.00 0.00 N ATOM 2383 CZ ARG B 510 3.062 2.672 28.955 1.00 0.00 C ATOM 2384 NH1 ARG B 510 4.058 3.441 28.517 1.00 0.00 N ATOM 2385 NH2 ARG B 510 2.370 3.052 30.020 1.00 0.00 N ATOM 0 H ARG B 510 4.778 -3.150 26.424 1.00 0.00 H new ATOM 0 HA ARG B 510 2.197 -2.436 25.201 1.00 0.00 H new ATOM 0 HB2 ARG B 510 4.769 -0.923 25.763 1.00 0.00 H new ATOM 0 HB3 ARG B 510 3.512 -0.273 24.728 1.00 0.00 H new ATOM 0 HG2 ARG B 510 1.894 -0.387 26.602 1.00 0.00 H new ATOM 0 HG3 ARG B 510 3.130 -1.071 27.639 1.00 0.00 H new ATOM 0 HD2 ARG B 510 4.513 0.981 27.338 1.00 0.00 H new ATOM 0 HD3 ARG B 510 3.270 1.665 26.309 1.00 0.00 H new ATOM 0 HE ARG B 510 1.978 0.976 28.717 1.00 0.00 H new ATOM 0 HH11 ARG B 510 4.598 3.159 27.699 1.00 0.00 H new ATOM 0 HH12 ARG B 510 4.281 4.311 29.000 1.00 0.00 H new ATOM 0 HH21 ARG B 510 1.605 2.472 30.365 1.00 0.00 H new ATOM 0 HH22 ARG B 510 2.602 3.925 30.494 1.00 0.00 H new ATOM 2399 N ARG B 511 2.863 -2.501 22.790 1.00 0.00 N ATOM 2400 CA ARG B 511 3.177 -2.755 21.381 1.00 0.00 C ATOM 2401 C ARG B 511 2.772 -1.569 20.511 1.00 0.00 C ATOM 2402 O ARG B 511 1.633 -1.096 20.582 1.00 0.00 O ATOM 2403 CB ARG B 511 2.472 -4.026 20.892 1.00 0.00 C ATOM 2404 CG ARG B 511 3.073 -5.314 21.438 1.00 0.00 C ATOM 2405 CD ARG B 511 2.318 -6.536 20.942 1.00 0.00 C ATOM 2406 NE ARG B 511 2.882 -7.783 21.469 1.00 0.00 N ATOM 2407 CZ ARG B 511 2.348 -9.000 21.288 1.00 0.00 C ATOM 2408 NH1 ARG B 511 1.226 -9.163 20.589 1.00 0.00 N ATOM 2409 NH2 ARG B 511 2.946 -10.061 21.812 1.00 0.00 N ATOM 0 H ARG B 511 1.906 -2.190 22.955 1.00 0.00 H new ATOM 0 HA ARG B 511 4.255 -2.895 21.298 1.00 0.00 H new ATOM 0 HB2 ARG B 511 1.421 -3.978 21.176 1.00 0.00 H new ATOM 0 HB3 ARG B 511 2.507 -4.053 19.803 1.00 0.00 H new ATOM 0 HG2 ARG B 511 4.118 -5.385 21.138 1.00 0.00 H new ATOM 0 HG3 ARG B 511 3.055 -5.292 22.528 1.00 0.00 H new ATOM 0 HD2 ARG B 511 1.271 -6.459 21.236 1.00 0.00 H new ATOM 0 HD3 ARG B 511 2.342 -6.559 19.853 1.00 0.00 H new ATOM 0 HE ARG B 511 3.743 -7.720 22.013 1.00 0.00 H new ATOM 0 HH11 ARG B 511 0.758 -8.354 20.180 1.00 0.00 H new ATOM 0 HH12 ARG B 511 0.835 -10.097 20.462 1.00 0.00 H new ATOM 0 HH21 ARG B 511 3.806 -9.949 22.349 1.00 0.00 H new ATOM 0 HH22 ARG B 511 2.546 -10.990 21.679 1.00 0.00 H new ATOM 2423 N GLU B 512 3.719 -1.097 19.693 1.00 0.00 N ATOM 2424 CA GLU B 512 3.485 0.036 18.793 1.00 0.00 C ATOM 2425 C GLU B 512 3.976 -0.283 17.385 1.00 0.00 C ATOM 2426 O GLU B 512 5.020 -0.918 17.215 1.00 0.00 O ATOM 2427 CB GLU B 512 4.189 1.295 19.314 1.00 0.00 C ATOM 2428 CG GLU B 512 3.527 1.910 20.538 1.00 0.00 C ATOM 2429 CD GLU B 512 4.248 3.150 21.029 1.00 0.00 C ATOM 2430 OE1 GLU B 512 5.159 3.012 21.873 1.00 0.00 O ATOM 2431 OE2 GLU B 512 3.904 4.259 20.570 1.00 0.00 O ATOM 0 H GLU B 512 4.660 -1.486 19.636 1.00 0.00 H new ATOM 0 HA GLU B 512 2.411 0.220 18.758 1.00 0.00 H new ATOM 0 HB2 GLU B 512 5.222 1.047 19.558 1.00 0.00 H new ATOM 0 HB3 GLU B 512 4.219 2.038 18.517 1.00 0.00 H new ATOM 0 HG2 GLU B 512 2.495 2.165 20.299 1.00 0.00 H new ATOM 0 HG3 GLU B 512 3.495 1.171 21.339 1.00 0.00 H new ATOM 2438 N ILE B 513 3.211 0.164 16.383 1.00 0.00 N ATOM 2439 CA ILE B 513 3.557 -0.067 14.975 1.00 0.00 C ATOM 2440 C ILE B 513 3.258 1.177 14.114 1.00 0.00 C ATOM 2441 O ILE B 513 2.273 1.871 14.379 1.00 0.00 O ATOM 2442 CB ILE B 513 2.825 -1.310 14.376 1.00 0.00 C ATOM 2443 CG1 ILE B 513 1.332 -1.366 14.766 1.00 0.00 C ATOM 2444 CG2 ILE B 513 3.526 -2.589 14.811 1.00 0.00 C ATOM 2445 CD1 ILE B 513 0.415 -0.656 13.791 1.00 0.00 C ATOM 0 H ILE B 513 2.347 0.688 16.521 1.00 0.00 H new ATOM 0 HA ILE B 513 4.628 -0.268 14.954 1.00 0.00 H new ATOM 0 HB ILE B 513 2.869 -1.215 13.291 1.00 0.00 H new ATOM 0 HG12 ILE B 513 1.026 -2.409 14.843 1.00 0.00 H new ATOM 0 HG13 ILE B 513 1.208 -0.923 15.754 1.00 0.00 H new ATOM 0 HG21 ILE B 513 3.008 -3.450 14.388 1.00 0.00 H new ATOM 0 HG22 ILE B 513 4.557 -2.577 14.458 1.00 0.00 H new ATOM 0 HG23 ILE B 513 3.516 -2.658 15.899 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -0.616 -0.740 14.134 1.00 0.00 H new ATOM 0 HD12 ILE B 513 0.693 0.396 13.731 1.00 0.00 H new ATOM 0 HD13 ILE B 513 0.508 -1.113 12.806 1.00 0.00 H new ATOM 2457 N PRO B 514 4.093 1.487 13.066 1.00 0.00 N ATOM 2458 CA PRO B 514 3.870 2.656 12.189 1.00 0.00 C ATOM 2459 C PRO B 514 2.740 2.423 11.173 1.00 0.00 C ATOM 2460 O PRO B 514 2.140 1.344 11.147 1.00 0.00 O ATOM 2461 CB PRO B 514 5.221 2.837 11.465 1.00 0.00 C ATOM 2462 CG PRO B 514 6.162 1.845 12.068 1.00 0.00 C ATOM 2463 CD PRO B 514 5.310 0.755 12.648 1.00 0.00 C ATOM 0 HA PRO B 514 3.561 3.532 12.759 1.00 0.00 H new ATOM 0 HB2 PRO B 514 5.113 2.667 10.394 1.00 0.00 H new ATOM 0 HB3 PRO B 514 5.595 3.853 11.591 1.00 0.00 H new ATOM 0 HG2 PRO B 514 6.843 1.447 11.315 1.00 0.00 H new ATOM 0 HG3 PRO B 514 6.776 2.310 12.839 1.00 0.00 H new ATOM 0 HD2 PRO B 514 5.086 -0.019 11.914 1.00 0.00 H new ATOM 0 HD3 PRO B 514 5.797 0.264 13.490 1.00 0.00 H new ATOM 2471 N LEU B 515 2.460 3.441 10.341 1.00 0.00 N ATOM 2472 CA LEU B 515 1.402 3.353 9.325 1.00 0.00 C ATOM 2473 C LEU B 515 1.920 2.747 8.004 1.00 0.00 C ATOM 2474 O LEU B 515 1.416 3.068 6.922 1.00 0.00 O ATOM 2475 CB LEU B 515 0.758 4.742 9.099 1.00 0.00 C ATOM 2476 CG LEU B 515 1.682 5.878 8.639 1.00 0.00 C ATOM 2477 CD1 LEU B 515 1.754 5.937 7.120 1.00 0.00 C ATOM 2478 CD2 LEU B 515 1.209 7.183 9.245 1.00 0.00 C ATOM 0 H LEU B 515 2.953 4.334 10.354 1.00 0.00 H new ATOM 0 HA LEU B 515 0.634 2.675 9.698 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -0.034 4.630 8.359 1.00 0.00 H new ATOM 0 HB3 LEU B 515 0.283 5.049 10.031 1.00 0.00 H new ATOM 0 HG LEU B 515 2.697 5.690 8.988 1.00 0.00 H new ATOM 0 HD11 LEU B 515 2.415 6.750 6.818 1.00 0.00 H new ATOM 0 HD12 LEU B 515 2.142 4.993 6.737 1.00 0.00 H new ATOM 0 HD13 LEU B 515 0.757 6.110 6.715 1.00 0.00 H new ATOM 0 HD21 LEU B 515 1.863 7.993 8.921 1.00 0.00 H new ATOM 0 HD22 LEU B 515 0.189 7.387 8.919 1.00 0.00 H new ATOM 0 HD23 LEU B 515 1.234 7.110 10.332 1.00 0.00 H new ATOM 2490 N LYS B 516 2.902 1.834 8.107 1.00 0.00 N ATOM 2491 CA LYS B 516 3.500 1.181 6.930 1.00 0.00 C ATOM 2492 C LYS B 516 2.511 0.214 6.251 1.00 0.00 C ATOM 2493 O LYS B 516 2.696 -1.011 6.258 1.00 0.00 O ATOM 2494 CB LYS B 516 4.789 0.444 7.330 1.00 0.00 C ATOM 2495 CG LYS B 516 5.979 1.362 7.561 1.00 0.00 C ATOM 2496 CD LYS B 516 7.190 0.591 8.060 1.00 0.00 C ATOM 2497 CE LYS B 516 8.378 1.510 8.291 1.00 0.00 C ATOM 2498 NZ LYS B 516 9.570 0.763 8.780 1.00 0.00 N ATOM 0 H LYS B 516 3.299 1.531 8.996 1.00 0.00 H new ATOM 0 HA LYS B 516 3.745 1.958 6.206 1.00 0.00 H new ATOM 0 HB2 LYS B 516 4.602 -0.127 8.239 1.00 0.00 H new ATOM 0 HB3 LYS B 516 5.042 -0.273 6.549 1.00 0.00 H new ATOM 0 HG2 LYS B 516 6.230 1.874 6.632 1.00 0.00 H new ATOM 0 HG3 LYS B 516 5.712 2.130 8.286 1.00 0.00 H new ATOM 0 HD2 LYS B 516 6.939 0.078 8.989 1.00 0.00 H new ATOM 0 HD3 LYS B 516 7.458 -0.177 7.334 1.00 0.00 H new ATOM 0 HE2 LYS B 516 8.627 2.023 7.362 1.00 0.00 H new ATOM 0 HE3 LYS B 516 8.108 2.278 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 10.359 1.425 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 9.341 0.294 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 9.844 0.047 8.077 1.00 0.00 H new ATOM 2512 N VAL B 517 1.449 0.793 5.675 1.00 0.00 N ATOM 2513 CA VAL B 517 0.404 0.029 4.981 1.00 0.00 C ATOM 2514 C VAL B 517 -0.352 0.882 3.997 1.00 0.00 C ATOM 2515 O VAL B 517 -0.488 0.529 2.830 1.00 0.00 O ATOM 2516 CB VAL B 517 -0.604 -0.664 5.935 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -0.183 -2.098 6.146 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -0.739 0.060 7.276 1.00 0.00 C ATOM 0 H VAL B 517 1.290 1.801 5.677 1.00 0.00 H new ATOM 0 HA VAL B 517 0.943 -0.755 4.449 1.00 0.00 H new ATOM 0 HB VAL B 517 -1.587 -0.629 5.466 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -0.888 -2.589 6.816 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -0.170 -2.618 5.188 1.00 0.00 H new ATOM 0 HG13 VAL B 517 0.814 -2.124 6.586 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -1.457 -0.468 7.904 1.00 0.00 H new ATOM 0 HG22 VAL B 517 0.230 0.085 7.775 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -1.086 1.079 7.106 1.00 0.00 H new ATOM 2528 N LEU B 518 -0.825 2.008 4.480 1.00 0.00 N ATOM 2529 CA LEU B 518 -1.565 2.972 3.688 1.00 0.00 C ATOM 2530 C LEU B 518 -0.691 3.656 2.624 1.00 0.00 C ATOM 2531 O LEU B 518 -1.104 4.628 1.981 1.00 0.00 O ATOM 2532 CB LEU B 518 -2.183 3.980 4.642 1.00 0.00 C ATOM 2533 CG LEU B 518 -3.393 3.500 5.482 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -4.158 2.352 4.813 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -2.935 3.083 6.871 1.00 0.00 C ATOM 0 H LEU B 518 -0.705 2.288 5.454 1.00 0.00 H new ATOM 0 HA LEU B 518 -2.345 2.456 3.128 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -1.406 4.318 5.328 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -2.496 4.848 4.062 1.00 0.00 H new ATOM 0 HG LEU B 518 -4.081 4.342 5.559 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -4.995 2.056 5.445 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -4.533 2.681 3.844 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -3.490 1.502 4.674 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -3.794 2.748 7.452 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -2.214 2.270 6.787 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -2.468 3.932 7.370 1.00 0.00 H new ATOM 2547 N VAL B 519 0.518 3.117 2.461 1.00 0.00 N ATOM 2548 CA VAL B 519 1.484 3.580 1.475 1.00 0.00 C ATOM 2549 C VAL B 519 2.000 2.358 0.733 1.00 0.00 C ATOM 2550 O VAL B 519 2.071 2.356 -0.499 1.00 0.00 O ATOM 2551 CB VAL B 519 2.662 4.369 2.125 1.00 0.00 C ATOM 2552 CG1 VAL B 519 3.542 5.042 1.073 1.00 0.00 C ATOM 2553 CG2 VAL B 519 2.157 5.416 3.114 1.00 0.00 C ATOM 0 H VAL B 519 0.855 2.334 3.021 1.00 0.00 H new ATOM 0 HA VAL B 519 0.997 4.275 0.791 1.00 0.00 H new ATOM 0 HB VAL B 519 3.263 3.637 2.664 1.00 0.00 H new ATOM 0 HG11 VAL B 519 4.351 5.581 1.566 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.962 4.285 0.411 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.942 5.741 0.490 1.00 0.00 H new ATOM 0 HG21 VAL B 519 3.005 5.946 3.547 1.00 0.00 H new ATOM 0 HG22 VAL B 519 1.512 6.125 2.595 1.00 0.00 H new ATOM 0 HG23 VAL B 519 1.592 4.925 3.907 1.00 0.00 H new ATOM 2563 N LYS B 520 2.346 1.316 1.502 1.00 0.00 N ATOM 2564 CA LYS B 520 2.805 0.059 0.948 1.00 0.00 C ATOM 2565 C LYS B 520 1.716 -0.634 0.146 1.00 0.00 C ATOM 2566 O LYS B 520 1.999 -1.402 -0.777 1.00 0.00 O ATOM 2567 CB LYS B 520 3.281 -0.847 2.065 1.00 0.00 C ATOM 2568 CG LYS B 520 4.674 -1.397 1.806 1.00 0.00 C ATOM 2569 CD LYS B 520 4.837 -1.980 0.389 1.00 0.00 C ATOM 2570 CE LYS B 520 6.299 -2.041 -0.022 1.00 0.00 C ATOM 2571 NZ LYS B 520 6.468 -2.602 -1.391 1.00 0.00 N ATOM 0 H LYS B 520 2.312 1.332 2.521 1.00 0.00 H new ATOM 0 HA LYS B 520 3.630 0.273 0.269 1.00 0.00 H new ATOM 0 HB2 LYS B 520 3.280 -0.294 3.004 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.582 -1.675 2.182 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.405 -0.602 1.952 1.00 0.00 H new ATOM 0 HG3 LYS B 520 4.895 -2.172 2.540 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.406 -2.980 0.354 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.283 -1.369 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.729 -1.040 0.016 1.00 0.00 H new ATOM 0 HE3 LYS B 520 6.852 -2.652 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.390 -3.077 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 5.710 -3.288 -1.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.422 -1.833 -2.089 1.00 0.00 H new ATOM 2585 N ALA B 521 0.472 -0.340 0.515 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.692 -0.865 -0.158 1.00 0.00 C ATOM 2587 C ALA B 521 -1.146 0.152 -1.198 1.00 0.00 C ATOM 2588 O ALA B 521 -2.330 0.309 -1.519 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.768 -1.177 0.850 1.00 0.00 C ATOM 0 H ALA B 521 0.252 0.276 1.298 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.459 -1.798 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.644 -1.573 0.336 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.398 -1.917 1.560 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.041 -0.267 1.384 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.122 0.811 -1.723 1.00 0.00 N ATOM 2596 CA VAL B 522 -0.228 1.872 -2.705 1.00 0.00 C ATOM 2597 C VAL B 522 0.997 1.853 -3.624 1.00 0.00 C ATOM 2598 O VAL B 522 0.912 2.317 -4.765 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.355 3.307 -2.096 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -1.074 4.230 -3.070 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.076 3.320 -0.755 1.00 0.00 C ATOM 0 H VAL B 522 0.844 0.610 -1.463 1.00 0.00 H new ATOM 0 HA VAL B 522 -1.151 1.670 -3.249 1.00 0.00 H new ATOM 0 HB VAL B 522 0.661 3.662 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.156 5.226 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL B 522 -0.510 4.287 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -2.071 3.839 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.133 4.343 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.083 2.922 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -0.528 2.704 -0.042 1.00 0.00 H new ATOM 2611 N LEU B 523 2.143 1.315 -3.132 1.00 0.00 N ATOM 2612 CA LEU B 523 3.359 1.261 -3.932 1.00 0.00 C ATOM 2613 C LEU B 523 3.324 0.089 -4.920 1.00 0.00 C ATOM 2614 O LEU B 523 4.268 -0.097 -5.696 1.00 0.00 O ATOM 2615 CB LEU B 523 4.592 1.210 -3.019 1.00 0.00 C ATOM 2616 CG LEU B 523 4.818 2.499 -2.207 1.00 0.00 C ATOM 2617 CD1 LEU B 523 5.095 2.202 -0.743 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.931 3.351 -2.784 1.00 0.00 C ATOM 0 H LEU B 523 2.234 0.921 -2.195 1.00 0.00 H new ATOM 0 HA LEU B 523 3.424 2.170 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.488 0.371 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.475 1.015 -3.627 1.00 0.00 H new ATOM 0 HG LEU B 523 3.890 3.066 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU B 523 5.249 3.137 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU B 523 4.246 1.671 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.989 1.584 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU B 523 6.053 4.249 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.861 2.783 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.680 3.635 -3.806 1.00 0.00 H new ATOM 2630 N PHE B 524 2.221 -0.702 -4.896 1.00 0.00 N ATOM 2631 CA PHE B 524 2.067 -1.819 -5.842 1.00 0.00 C ATOM 2632 C PHE B 524 1.712 -1.300 -7.239 1.00 0.00 C ATOM 2633 O PHE B 524 2.460 -1.491 -8.199 1.00 0.00 O ATOM 2634 CB PHE B 524 0.955 -2.815 -5.468 1.00 0.00 C ATOM 2635 CG PHE B 524 0.756 -3.154 -4.023 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.482 -2.940 -3.450 1.00 0.00 C ATOM 2637 CD2 PHE B 524 1.759 -3.731 -3.262 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -0.724 -3.291 -2.143 1.00 0.00 C ATOM 2639 CE2 PHE B 524 1.528 -4.075 -1.948 1.00 0.00 C ATOM 2640 CZ PHE B 524 0.283 -3.857 -1.387 1.00 0.00 C ATOM 0 H PHE B 524 1.445 -0.585 -4.244 1.00 0.00 H new ATOM 0 HA PHE B 524 3.030 -2.329 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE B 524 0.013 -2.419 -5.848 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.149 -3.745 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -1.270 -2.491 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE B 524 2.729 -3.913 -3.701 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -1.699 -3.124 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE B 524 2.318 -4.514 -1.357 1.00 0.00 H new ATOM 0 HZ PHE B 524 0.099 -4.129 -0.358 1.00 0.00 H new ATOM 2650 N ALA B 525 0.559 -0.610 -7.320 1.00 0.00 N ATOM 2651 CA ALA B 525 0.025 -0.063 -8.581 1.00 0.00 C ATOM 2652 C ALA B 525 0.984 0.915 -9.272 1.00 0.00 C ATOM 2653 O ALA B 525 0.755 1.317 -10.418 1.00 0.00 O ATOM 2654 CB ALA B 525 -1.315 0.612 -8.322 1.00 0.00 C ATOM 0 H ALA B 525 -0.030 -0.416 -6.510 1.00 0.00 H new ATOM 0 HA ALA B 525 -0.102 -0.904 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.706 1.015 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -2.018 -0.117 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -1.182 1.422 -7.605 1.00 0.00 H new ATOM 2660 N CYS B 526 2.061 1.276 -8.567 1.00 0.00 N ATOM 2661 CA CYS B 526 3.081 2.198 -9.079 1.00 0.00 C ATOM 2662 C CYS B 526 3.949 1.582 -10.199 1.00 0.00 C ATOM 2663 O CYS B 526 4.833 2.262 -10.734 1.00 0.00 O ATOM 2664 CB CYS B 526 3.987 2.629 -7.923 1.00 0.00 C ATOM 2665 SG CYS B 526 3.099 3.256 -6.483 1.00 0.00 S ATOM 0 H CYS B 526 2.251 0.937 -7.624 1.00 0.00 H new ATOM 0 HA CYS B 526 2.557 3.050 -9.512 1.00 0.00 H new ATOM 0 HB2 CYS B 526 4.597 1.779 -7.618 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.670 3.400 -8.279 1.00 0.00 H new ATOM 0 HG CYS B 526 2.208 2.386 -6.110 1.00 0.00 H new ATOM 2671 N MET B 527 3.691 0.310 -10.566 1.00 0.00 N ATOM 2672 CA MET B 527 4.498 -0.365 -11.598 1.00 0.00 C ATOM 2673 C MET B 527 3.673 -1.170 -12.620 1.00 0.00 C ATOM 2674 O MET B 527 4.249 -1.743 -13.553 1.00 0.00 O ATOM 2675 CB MET B 527 5.545 -1.276 -10.930 1.00 0.00 C ATOM 2676 CG MET B 527 6.618 -0.505 -10.173 1.00 0.00 C ATOM 2677 SD MET B 527 7.576 0.579 -11.249 1.00 0.00 S ATOM 2678 CE MET B 527 8.759 -0.586 -11.913 1.00 0.00 C ATOM 0 H MET B 527 2.944 -0.260 -10.170 1.00 0.00 H new ATOM 0 HA MET B 527 4.985 0.427 -12.166 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.040 -1.954 -10.242 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.020 -1.892 -11.693 1.00 0.00 H new ATOM 0 HG2 MET B 527 6.149 0.089 -9.388 1.00 0.00 H new ATOM 0 HG3 MET B 527 7.289 -1.210 -9.682 1.00 0.00 H new ATOM 0 HE1 MET B 527 9.312 -0.119 -12.728 1.00 0.00 H new ATOM 0 HE2 MET B 527 9.454 -0.886 -11.128 1.00 0.00 H new ATOM 0 HE3 MET B 527 8.234 -1.464 -12.288 1.00 0.00 H new ATOM 2688 N LEU B 528 2.335 -1.213 -12.463 1.00 0.00 N ATOM 2689 CA LEU B 528 1.453 -1.954 -13.389 1.00 0.00 C ATOM 2690 C LEU B 528 1.593 -1.505 -14.853 1.00 0.00 C ATOM 2691 O LEU B 528 1.596 -2.341 -15.761 1.00 0.00 O ATOM 2692 CB LEU B 528 -0.011 -1.824 -12.962 1.00 0.00 C ATOM 2693 CG LEU B 528 -0.328 -2.378 -11.576 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -1.636 -1.803 -11.056 1.00 0.00 C ATOM 2695 CD2 LEU B 528 -0.384 -3.897 -11.586 1.00 0.00 C ATOM 0 H LEU B 528 1.841 -0.744 -11.704 1.00 0.00 H new ATOM 0 HA LEU B 528 1.772 -2.995 -13.334 1.00 0.00 H new ATOM 0 HB2 LEU B 528 -0.290 -0.771 -12.989 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -0.635 -2.337 -13.694 1.00 0.00 H new ATOM 0 HG LEU B 528 0.478 -2.076 -10.907 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.845 -2.210 -10.067 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -1.557 -0.718 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -2.446 -2.068 -11.736 1.00 0.00 H new ATOM 0 HD21 LEU B 528 -0.612 -4.259 -10.584 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -1.160 -4.228 -12.276 1.00 0.00 H new ATOM 0 HD23 LEU B 528 0.579 -4.295 -11.905 1.00 0.00 H new ATOM 2707 N MET B 529 1.708 -0.188 -15.066 1.00 0.00 N ATOM 2708 CA MET B 529 1.834 0.376 -16.415 1.00 0.00 C ATOM 2709 C MET B 529 3.293 0.697 -16.782 1.00 0.00 C ATOM 2710 O MET B 529 3.559 1.265 -17.848 1.00 0.00 O ATOM 2711 CB MET B 529 0.962 1.633 -16.540 1.00 0.00 C ATOM 2712 CG MET B 529 -0.506 1.331 -16.799 1.00 0.00 C ATOM 2713 SD MET B 529 -0.778 0.501 -18.377 1.00 0.00 S ATOM 2714 CE MET B 529 -2.562 0.353 -18.377 1.00 0.00 C ATOM 0 H MET B 529 1.716 0.507 -14.320 1.00 0.00 H new ATOM 0 HA MET B 529 1.488 -0.380 -17.119 1.00 0.00 H new ATOM 0 HB2 MET B 529 1.048 2.218 -15.624 1.00 0.00 H new ATOM 0 HB3 MET B 529 1.346 2.252 -17.351 1.00 0.00 H new ATOM 0 HG2 MET B 529 -0.892 0.706 -15.993 1.00 0.00 H new ATOM 0 HG3 MET B 529 -1.073 2.262 -16.780 1.00 0.00 H new ATOM 0 HE1 MET B 529 -2.886 -0.142 -19.292 1.00 0.00 H new ATOM 0 HE2 MET B 529 -2.878 -0.234 -17.515 1.00 0.00 H new ATOM 0 HE3 MET B 529 -3.009 1.345 -18.324 1.00 0.00 H new ATOM 2724 N ARG B 530 4.233 0.315 -15.907 1.00 0.00 N ATOM 2725 CA ARG B 530 5.661 0.559 -16.142 1.00 0.00 C ATOM 2726 C ARG B 530 6.334 -0.687 -16.740 1.00 0.00 C ATOM 2727 O ARG B 530 7.356 -1.173 -16.236 1.00 0.00 O ATOM 2728 CB ARG B 530 6.359 0.986 -14.835 1.00 0.00 C ATOM 2729 CG ARG B 530 5.921 2.352 -14.298 1.00 0.00 C ATOM 2730 CD ARG B 530 6.657 3.509 -14.971 1.00 0.00 C ATOM 2731 NE ARG B 530 6.225 3.713 -16.361 1.00 0.00 N ATOM 2732 CZ ARG B 530 6.753 4.615 -17.201 1.00 0.00 C ATOM 2733 NH1 ARG B 530 7.743 5.418 -16.816 1.00 0.00 N ATOM 2734 NH2 ARG B 530 6.283 4.712 -18.437 1.00 0.00 N ATOM 0 H ARG B 530 4.029 -0.164 -15.030 1.00 0.00 H new ATOM 0 HA ARG B 530 5.757 1.372 -16.861 1.00 0.00 H new ATOM 0 HB2 ARG B 530 6.167 0.231 -14.072 1.00 0.00 H new ATOM 0 HB3 ARG B 530 7.436 1.004 -15.002 1.00 0.00 H new ATOM 0 HG2 ARG B 530 4.848 2.471 -14.449 1.00 0.00 H new ATOM 0 HG3 ARG B 530 6.097 2.390 -13.223 1.00 0.00 H new ATOM 0 HD2 ARG B 530 6.488 4.424 -14.403 1.00 0.00 H new ATOM 0 HD3 ARG B 530 7.729 3.315 -14.951 1.00 0.00 H new ATOM 0 HE ARG B 530 5.469 3.126 -16.712 1.00 0.00 H new ATOM 0 HH11 ARG B 530 8.113 5.353 -15.868 1.00 0.00 H new ATOM 0 HH12 ARG B 530 8.132 6.098 -17.470 1.00 0.00 H new ATOM 0 HH21 ARG B 530 5.525 4.103 -18.743 1.00 0.00 H new ATOM 0 HH22 ARG B 530 6.680 5.396 -19.081 1.00 0.00 H new ATOM 2748 N LYS B 531 5.745 -1.194 -17.832 1.00 0.00 N ATOM 2749 CA LYS B 531 6.261 -2.381 -18.525 1.00 0.00 C ATOM 2750 C LYS B 531 7.247 -1.986 -19.626 1.00 0.00 C ATOM 2751 O LYS B 531 6.840 -1.256 -20.557 1.00 0.00 O ATOM 2752 CB LYS B 531 5.108 -3.216 -19.126 1.00 0.00 C ATOM 2753 CG LYS B 531 4.024 -3.652 -18.130 1.00 0.00 C ATOM 2754 CD LYS B 531 4.508 -4.730 -17.160 1.00 0.00 C ATOM 2755 CE LYS B 531 4.824 -4.142 -15.792 1.00 0.00 C ATOM 2756 NZ LYS B 531 5.405 -5.157 -14.871 1.00 0.00 N ATOM 2757 OXT LYS B 531 8.419 -2.411 -19.547 1.00 0.00 O ATOM 0 H LYS B 531 4.906 -0.797 -18.256 1.00 0.00 H new ATOM 0 HA LYS B 531 6.785 -2.990 -17.788 1.00 0.00 H new ATOM 0 HB2 LYS B 531 4.637 -2.636 -19.919 1.00 0.00 H new ATOM 0 HB3 LYS B 531 5.531 -4.107 -19.591 1.00 0.00 H new ATOM 0 HG2 LYS B 531 3.688 -2.784 -17.563 1.00 0.00 H new ATOM 0 HG3 LYS B 531 3.161 -4.026 -18.681 1.00 0.00 H new ATOM 0 HD2 LYS B 531 3.744 -5.501 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS B 531 5.397 -5.213 -17.565 1.00 0.00 H new ATOM 0 HE2 LYS B 531 5.523 -3.313 -15.906 1.00 0.00 H new ATOM 0 HE3 LYS B 531 3.914 -3.733 -15.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 5.653 -4.705 -13.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 4.709 -5.911 -14.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 6.260 -5.566 -15.300 1.00 0.00 H new TER 2771 LYS B 531