USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 669 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 Single : A 1 GLY N :NH3+ -110:sc= 0.0971 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-2.6!) USER MOD Single : A 5 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=-0.2) USER MOD Single : A 7 HIS : no HE2:sc= -1.58! C(o=-1.6!,f=-3.2!) USER MOD Single : A 13 ASN : amide:sc= -2.55 K(o=-2.5,f=-1.4) USER MOD Single : A 15 GLN : amide:sc= -0.993 K(o=-0.99,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -44:sc= 0.976 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.29 (180deg=1.11) USER MOD Single : A 24 ASN : amide:sc= 0.0275 X(o=0.028,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc=-0.00455 (180deg=-0.093) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= -0.0102 (180deg=-0.113) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0311) USER MOD Single : A 35 SER OG : rot 42:sc= 0.551 USER MOD Single : A 36 GLN : amide:sc= -0.465 X(o=-0.47,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.9!) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= 0.291 (180deg=-0.00985) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 110:sc=-0.00356 USER MOD Single : A 47 GLN : amide:sc= -1.84 K(o=-1.8,f=-3!) USER MOD Single : A 48 CYS SG : rot 180:sc= -5.33! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 159:sc= -0.169 (180deg=-0.705) USER MOD Single : A 53 GLN : amide:sc= -2.23 K(o=-2.2,f=-0.059) USER MOD Single : A 54 THR OG1 : rot 33:sc= 1.25 USER MOD Single : A 57 CYS SG : rot 19:sc= 0.0241 USER MOD Single : A 58 THR OG1 : rot -34:sc= 0.447 USER MOD Single : A 59 THR OG1 : rot -1:sc= 0.392 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc=-0.00462 (180deg=-0.104) USER MOD Single : A 64 CYS SG : rot 71:sc= 0.137 USER MOD Single : A 67 HIS : no HE2:sc= -0.0339 K(o=-0.034,f=-1.3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.55) USER MOD Single : A 74 LYS NZ :NH3+ 133:sc= 0.888 (180deg=-2.04) USER MOD Single : A 80 CYS SG : rot 180:sc= 0.0606 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= -0.209 (180deg=-1.32) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.247 2.620 17.002 1.00 19.14 N ATOM 2 CA GLY A 1 18.550 2.645 16.346 1.00 18.53 C ATOM 3 C GLY A 1 19.458 3.574 17.072 1.00 18.04 C ATOM 4 O GLY A 1 18.998 4.564 17.637 1.00 17.99 O ATOM 0 H1 GLY A 1 17.109 1.699 17.466 1.00 19.14 H new ATOM 0 H2 GLY A 1 17.202 3.377 17.714 1.00 19.14 H new ATOM 0 H3 GLY A 1 16.499 2.766 16.294 1.00 19.14 H new ATOM 0 HA2 GLY A 1 18.978 1.643 16.327 1.00 18.53 H new ATOM 0 HA3 GLY A 1 18.440 2.964 15.309 1.00 18.53 H new ATOM 10 N HIS A 2 20.731 3.268 17.088 1.00 17.81 N ATOM 11 CA HIS A 2 21.705 4.088 17.776 1.00 17.49 C ATOM 12 C HIS A 2 22.982 4.166 16.945 1.00 16.98 C ATOM 13 O HIS A 2 23.520 3.133 16.528 1.00 17.17 O ATOM 14 CB HIS A 2 21.993 3.501 19.180 1.00 17.97 C ATOM 15 CG HIS A 2 22.922 4.321 20.033 1.00 18.64 C ATOM 16 ND1 HIS A 2 22.494 5.074 21.107 1.00 19.07 N ATOM 17 CD2 HIS A 2 24.272 4.465 19.991 1.00 19.08 C ATOM 18 CE1 HIS A 2 23.544 5.653 21.673 1.00 19.72 C ATOM 19 NE2 HIS A 2 24.623 5.297 21.020 1.00 19.74 N ATOM 0 H HIS A 2 21.124 2.447 16.627 1.00 17.81 H new ATOM 0 HA HIS A 2 21.311 5.096 17.904 1.00 17.49 H new ATOM 0 HB2 HIS A 2 21.047 3.383 19.709 1.00 17.97 H new ATOM 0 HB3 HIS A 2 22.418 2.504 19.061 1.00 17.97 H new ATOM 0 HD2 HIS A 2 24.943 4.008 19.279 1.00 19.08 H new ATOM 0 HE1 HIS A 2 23.515 6.309 22.530 1.00 19.72 H new ATOM 0 HE2 HIS A 2 25.573 5.593 21.243 1.00 19.74 H new ATOM 28 N HIS A 3 23.437 5.398 16.697 1.00 16.46 N ATOM 29 CA HIS A 3 24.660 5.691 15.911 1.00 16.07 C ATOM 30 C HIS A 3 24.469 5.422 14.421 1.00 15.28 C ATOM 31 O HIS A 3 23.968 4.376 14.017 1.00 15.31 O ATOM 32 CB HIS A 3 25.939 4.969 16.466 1.00 16.31 C ATOM 33 CG HIS A 3 27.196 5.226 15.650 1.00 16.79 C ATOM 34 ND1 HIS A 3 27.923 4.229 15.016 1.00 17.14 N ATOM 35 CD2 HIS A 3 27.847 6.383 15.372 1.00 17.13 C ATOM 36 CE1 HIS A 3 28.947 4.776 14.378 1.00 17.67 C ATOM 37 NE2 HIS A 3 28.917 6.075 14.584 1.00 17.67 N ATOM 0 H HIS A 3 22.967 6.237 17.037 1.00 16.46 H new ATOM 0 HA HIS A 3 24.833 6.760 16.030 1.00 16.07 H new ATOM 0 HB2 HIS A 3 26.111 5.294 17.492 1.00 16.31 H new ATOM 0 HB3 HIS A 3 25.752 3.896 16.499 1.00 16.31 H new ATOM 0 HD2 HIS A 3 27.569 7.369 15.713 1.00 17.13 H new ATOM 0 HE1 HIS A 3 29.681 4.246 13.789 1.00 17.67 H new ATOM 0 HE2 HIS A 3 29.589 6.747 14.213 1.00 17.67 H new ATOM 46 N HIS A 4 24.856 6.391 13.616 1.00 14.74 N ATOM 47 CA HIS A 4 24.788 6.278 12.158 1.00 14.10 C ATOM 48 C HIS A 4 25.738 5.161 11.720 1.00 13.70 C ATOM 49 O HIS A 4 26.913 5.216 12.023 1.00 14.01 O ATOM 50 CB HIS A 4 25.219 7.607 11.474 1.00 13.88 C ATOM 51 CG HIS A 4 24.421 8.832 11.870 1.00 13.85 C ATOM 52 ND1 HIS A 4 23.349 9.304 11.151 1.00 14.10 N ATOM 53 CD2 HIS A 4 24.566 9.689 12.912 1.00 13.80 C ATOM 54 CE1 HIS A 4 22.865 10.393 11.741 1.00 14.18 C ATOM 55 NE2 HIS A 4 23.588 10.640 12.804 1.00 14.00 N ATOM 0 H HIS A 4 25.228 7.282 13.946 1.00 14.74 H new ATOM 0 HA HIS A 4 23.761 6.059 11.864 1.00 14.10 H new ATOM 0 HB2 HIS A 4 26.269 7.789 11.703 1.00 13.88 H new ATOM 0 HB3 HIS A 4 25.145 7.480 10.394 1.00 13.88 H new ATOM 0 HD2 HIS A 4 25.317 9.631 13.686 1.00 13.80 H new ATOM 0 HE1 HIS A 4 22.020 10.974 11.401 1.00 14.18 H new ATOM 0 HE2 HIS A 4 23.445 11.417 13.449 1.00 14.00 H new ATOM 64 N HIS A 5 25.228 4.148 11.036 1.00 13.18 N ATOM 65 CA HIS A 5 26.067 3.022 10.635 1.00 12.93 C ATOM 66 C HIS A 5 25.489 2.317 9.409 1.00 12.32 C ATOM 67 O HIS A 5 24.304 2.456 9.128 1.00 12.40 O ATOM 68 CB HIS A 5 26.269 2.028 11.816 1.00 13.06 C ATOM 69 CG HIS A 5 25.029 1.316 12.323 1.00 13.43 C ATOM 70 ND1 HIS A 5 24.226 1.806 13.333 1.00 13.64 N ATOM 71 CD2 HIS A 5 24.498 0.125 11.985 1.00 13.81 C ATOM 72 CE1 HIS A 5 23.269 0.943 13.598 1.00 14.12 C ATOM 73 NE2 HIS A 5 23.411 -0.090 12.791 1.00 14.24 N ATOM 0 H HIS A 5 24.252 4.079 10.749 1.00 13.18 H new ATOM 0 HA HIS A 5 27.047 3.413 10.360 1.00 12.93 H new ATOM 0 HB2 HIS A 5 26.993 1.274 11.507 1.00 13.06 H new ATOM 0 HB3 HIS A 5 26.713 2.574 12.649 1.00 13.06 H new ATOM 0 HD1 HIS A 5 24.355 2.702 13.803 1.00 13.64 H new ATOM 0 HD2 HIS A 5 24.863 -0.541 11.217 1.00 13.81 H new ATOM 0 HE1 HIS A 5 22.500 1.060 14.347 1.00 14.12 H new ATOM 82 N HIS A 6 26.334 1.539 8.722 1.00 11.88 N ATOM 83 CA HIS A 6 25.994 0.830 7.458 1.00 11.42 C ATOM 84 C HIS A 6 25.887 1.787 6.261 1.00 10.42 C ATOM 85 O HIS A 6 26.113 2.996 6.398 1.00 10.22 O ATOM 86 CB HIS A 6 24.763 -0.113 7.562 1.00 11.97 C ATOM 87 CG HIS A 6 24.979 -1.359 8.381 1.00 12.55 C ATOM 88 ND1 HIS A 6 24.021 -1.882 9.216 1.00 12.82 N ATOM 89 CD2 HIS A 6 26.027 -2.233 8.424 1.00 13.11 C ATOM 90 CE1 HIS A 6 24.468 -3.011 9.749 1.00 13.49 C ATOM 91 NE2 HIS A 6 25.680 -3.245 9.276 1.00 13.67 N ATOM 0 H HIS A 6 27.294 1.374 9.025 1.00 11.88 H new ATOM 0 HA HIS A 6 26.842 0.170 7.275 1.00 11.42 H new ATOM 0 HB2 HIS A 6 23.932 0.446 7.992 1.00 11.97 H new ATOM 0 HB3 HIS A 6 24.463 -0.406 6.556 1.00 11.97 H new ATOM 0 HD2 HIS A 6 26.958 -2.142 7.885 1.00 13.11 H new ATOM 0 HE1 HIS A 6 23.933 -3.634 10.451 1.00 13.49 H new ATOM 0 HE2 HIS A 6 26.262 -4.050 9.509 1.00 13.67 H new ATOM 100 N HIS A 7 25.612 1.226 5.088 1.00 9.98 N ATOM 101 CA HIS A 7 25.509 1.982 3.845 1.00 9.18 C ATOM 102 C HIS A 7 24.787 1.084 2.837 1.00 9.04 C ATOM 103 O HIS A 7 24.953 -0.136 2.895 1.00 9.71 O ATOM 104 CB HIS A 7 26.938 2.324 3.339 1.00 9.12 C ATOM 105 CG HIS A 7 27.027 3.221 2.133 1.00 9.44 C ATOM 106 ND1 HIS A 7 27.610 2.845 0.947 1.00 9.56 N ATOM 107 CD2 HIS A 7 26.667 4.502 1.966 1.00 9.92 C ATOM 108 CE1 HIS A 7 27.613 3.861 0.109 1.00 10.08 C ATOM 109 NE2 HIS A 7 27.037 4.882 0.705 1.00 10.30 N ATOM 0 H HIS A 7 25.453 0.225 4.972 1.00 9.98 H new ATOM 0 HA HIS A 7 24.962 2.915 3.984 1.00 9.18 H new ATOM 0 HB2 HIS A 7 27.485 2.795 4.156 1.00 9.12 H new ATOM 0 HB3 HIS A 7 27.451 1.390 3.108 1.00 9.12 H new ATOM 0 HD1 HIS A 7 27.984 1.918 0.746 1.00 9.56 H new ATOM 0 HD2 HIS A 7 26.172 5.124 2.698 1.00 9.92 H new ATOM 0 HE1 HIS A 7 28.018 3.856 -0.892 1.00 10.08 H new ATOM 118 N LEU A 8 23.955 1.671 1.966 1.00 8.37 N ATOM 119 CA LEU A 8 23.205 0.907 0.948 1.00 8.37 C ATOM 120 C LEU A 8 24.120 0.051 0.093 1.00 8.86 C ATOM 121 O LEU A 8 24.121 -1.169 0.187 1.00 9.23 O ATOM 122 CB LEU A 8 22.398 1.862 0.039 1.00 9.01 C ATOM 123 CG LEU A 8 21.504 1.209 -1.031 1.00 9.38 C ATOM 124 CD1 LEU A 8 20.439 0.325 -0.393 1.00 9.11 C ATOM 125 CD2 LEU A 8 20.859 2.274 -1.903 1.00 10.10 C ATOM 0 H LEU A 8 23.781 2.676 1.943 1.00 8.37 H new ATOM 0 HA LEU A 8 22.523 0.246 1.484 1.00 8.37 H new ATOM 0 HB2 LEU A 8 21.768 2.485 0.674 1.00 9.01 H new ATOM 0 HB3 LEU A 8 23.100 2.527 -0.464 1.00 9.01 H new ATOM 0 HG LEU A 8 22.133 0.577 -1.657 1.00 9.38 H new ATOM 0 HD11 LEU A 8 19.823 -0.123 -1.173 1.00 9.11 H new ATOM 0 HD12 LEU A 8 20.920 -0.463 0.187 1.00 9.11 H new ATOM 0 HD13 LEU A 8 19.812 0.928 0.264 1.00 9.11 H new ATOM 0 HD21 LEU A 8 20.230 1.797 -2.655 1.00 10.10 H new ATOM 0 HD22 LEU A 8 20.249 2.931 -1.283 1.00 10.10 H new ATOM 0 HD23 LEU A 8 21.635 2.859 -2.397 1.00 10.10 H new ATOM 137 N GLU A 9 24.902 0.709 -0.721 1.00 9.12 N ATOM 138 CA GLU A 9 25.788 0.050 -1.641 1.00 9.86 C ATOM 139 C GLU A 9 27.114 -0.218 -0.941 1.00 9.89 C ATOM 140 O GLU A 9 27.825 0.713 -0.572 1.00 10.56 O ATOM 141 CB GLU A 9 25.961 0.955 -2.869 1.00 10.56 C ATOM 142 CG GLU A 9 26.769 0.381 -4.008 1.00 11.13 C ATOM 143 CD GLU A 9 26.824 1.335 -5.175 1.00 11.53 C ATOM 144 OE1 GLU A 9 25.885 1.339 -6.002 1.00 11.70 O ATOM 145 OE2 GLU A 9 27.780 2.110 -5.263 1.00 11.87 O ATOM 0 H GLU A 9 24.942 1.727 -0.764 1.00 9.12 H new ATOM 0 HA GLU A 9 25.385 -0.908 -1.970 1.00 9.86 H new ATOM 0 HB2 GLU A 9 24.972 1.214 -3.246 1.00 10.56 H new ATOM 0 HB3 GLU A 9 26.433 1.883 -2.547 1.00 10.56 H new ATOM 0 HG2 GLU A 9 27.781 0.163 -3.666 1.00 11.13 H new ATOM 0 HG3 GLU A 9 26.330 -0.564 -4.328 1.00 11.13 H new ATOM 152 N GLY A 10 27.413 -1.470 -0.703 1.00 9.36 N ATOM 153 CA GLY A 10 28.646 -1.819 -0.019 1.00 9.60 C ATOM 154 C GLY A 10 28.374 -2.456 1.324 1.00 8.87 C ATOM 155 O GLY A 10 29.164 -3.252 1.809 1.00 9.04 O ATOM 0 H GLY A 10 26.829 -2.263 -0.968 1.00 9.36 H new ATOM 0 HA2 GLY A 10 29.225 -2.505 -0.638 1.00 9.60 H new ATOM 0 HA3 GLY A 10 29.253 -0.924 0.118 1.00 9.60 H new ATOM 159 N GLY A 11 27.247 -2.091 1.932 1.00 8.30 N ATOM 160 CA GLY A 11 26.833 -2.666 3.204 1.00 7.80 C ATOM 161 C GLY A 11 27.618 -2.188 4.426 1.00 8.13 C ATOM 162 O GLY A 11 27.036 -1.621 5.375 1.00 8.45 O ATOM 0 H GLY A 11 26.602 -1.394 1.559 1.00 8.30 H new ATOM 0 HA2 GLY A 11 25.778 -2.440 3.360 1.00 7.80 H new ATOM 0 HA3 GLY A 11 26.920 -3.751 3.139 1.00 7.80 H new ATOM 166 N GLY A 12 28.928 -2.395 4.400 1.00 8.34 N ATOM 167 CA GLY A 12 29.795 -2.144 5.551 1.00 8.95 C ATOM 168 C GLY A 12 30.140 -0.682 5.816 1.00 8.79 C ATOM 169 O GLY A 12 31.310 -0.345 5.939 1.00 9.24 O ATOM 0 H GLY A 12 29.424 -2.743 3.579 1.00 8.34 H new ATOM 0 HA2 GLY A 12 29.314 -2.551 6.440 1.00 8.95 H new ATOM 0 HA3 GLY A 12 30.724 -2.697 5.410 1.00 8.95 H new ATOM 173 N ASN A 13 29.114 0.165 5.905 1.00 8.39 N ATOM 174 CA ASN A 13 29.250 1.590 6.267 1.00 8.53 C ATOM 175 C ASN A 13 30.045 2.365 5.172 1.00 9.29 C ATOM 176 O ASN A 13 30.291 1.815 4.101 1.00 9.68 O ATOM 177 CB ASN A 13 29.882 1.706 7.691 1.00 8.84 C ATOM 178 CG ASN A 13 29.817 3.090 8.329 1.00 9.25 C ATOM 179 OD1 ASN A 13 30.679 3.444 9.114 1.00 9.50 O ATOM 180 ND2 ASN A 13 28.780 3.859 8.033 1.00 9.58 N ATOM 0 H ASN A 13 28.150 -0.116 5.727 1.00 8.39 H new ATOM 0 HA ASN A 13 28.268 2.061 6.310 1.00 8.53 H new ATOM 0 HB2 ASN A 13 29.381 0.997 8.350 1.00 8.84 H new ATOM 0 HB3 ASN A 13 30.927 1.402 7.631 1.00 8.84 H new ATOM 0 HD21 ASN A 13 28.686 4.777 8.467 1.00 9.58 H new ATOM 0 HD22 ASN A 13 28.076 3.533 7.371 1.00 9.58 H new ATOM 187 N ALA A 14 30.385 3.647 5.424 1.00 9.70 N ATOM 188 CA ALA A 14 31.123 4.508 4.478 1.00 10.58 C ATOM 189 C ALA A 14 31.338 5.876 5.113 1.00 11.08 C ATOM 190 O ALA A 14 30.665 6.208 6.112 1.00 11.12 O ATOM 191 CB ALA A 14 30.350 4.683 3.170 1.00 10.70 C ATOM 0 H ALA A 14 30.152 4.117 6.299 1.00 9.70 H new ATOM 0 HA ALA A 14 32.078 4.033 4.254 1.00 10.58 H new ATOM 0 HB1 ALA A 14 30.919 5.322 2.494 1.00 10.70 H new ATOM 0 HB2 ALA A 14 30.196 3.709 2.705 1.00 10.70 H new ATOM 0 HB3 ALA A 14 29.384 5.143 3.377 1.00 10.70 H new ATOM 197 N GLN A 15 32.255 6.669 4.552 1.00 11.67 N ATOM 198 CA GLN A 15 32.502 8.027 5.040 1.00 12.40 C ATOM 199 C GLN A 15 31.354 8.952 4.647 1.00 12.25 C ATOM 200 O GLN A 15 30.439 8.524 3.929 1.00 12.05 O ATOM 201 CB GLN A 15 33.830 8.570 4.523 1.00 13.27 C ATOM 202 CG GLN A 15 35.057 7.817 5.028 1.00 13.75 C ATOM 203 CD GLN A 15 36.362 8.413 4.508 1.00 14.68 C ATOM 204 OE1 GLN A 15 37.387 8.363 5.172 1.00 15.07 O ATOM 205 NE2 GLN A 15 36.333 8.968 3.324 1.00 15.18 N ATOM 0 H GLN A 15 32.837 6.394 3.761 1.00 11.67 H new ATOM 0 HA GLN A 15 32.561 7.986 6.128 1.00 12.40 H new ATOM 0 HB2 GLN A 15 33.822 8.539 3.433 1.00 13.27 H new ATOM 0 HB3 GLN A 15 33.917 9.618 4.811 1.00 13.27 H new ATOM 0 HG2 GLN A 15 35.064 7.830 6.118 1.00 13.75 H new ATOM 0 HG3 GLN A 15 34.990 6.773 4.722 1.00 13.75 H new ATOM 0 HE21 GLN A 15 35.462 8.994 2.794 1.00 15.18 H new ATOM 0 HE22 GLN A 15 37.182 9.375 2.930 1.00 15.18 H new ATOM 214 N LYS A 16 31.419 10.238 5.101 1.00 12.53 N ATOM 215 CA LYS A 16 30.325 11.219 4.932 1.00 12.66 C ATOM 216 C LYS A 16 28.995 10.591 5.340 1.00 11.86 C ATOM 217 O LYS A 16 27.944 10.806 4.722 1.00 12.01 O ATOM 218 CB LYS A 16 30.305 11.927 3.521 1.00 12.80 C ATOM 219 CG LYS A 16 30.205 11.028 2.303 1.00 13.55 C ATOM 220 CD LYS A 16 30.216 11.846 1.017 1.00 14.34 C ATOM 221 CE LYS A 16 30.159 10.948 -0.214 1.00 15.06 C ATOM 222 NZ LYS A 16 30.168 11.722 -1.472 1.00 15.42 N ATOM 0 H LYS A 16 32.231 10.614 5.591 1.00 12.53 H new ATOM 0 HA LYS A 16 30.517 12.050 5.611 1.00 12.66 H new ATOM 0 HB2 LYS A 16 29.464 12.620 3.501 1.00 12.80 H new ATOM 0 HB3 LYS A 16 31.212 12.524 3.428 1.00 12.80 H new ATOM 0 HG2 LYS A 16 31.037 10.324 2.297 1.00 13.55 H new ATOM 0 HG3 LYS A 16 29.289 10.439 2.356 1.00 13.55 H new ATOM 0 HD2 LYS A 16 29.366 12.529 1.011 1.00 14.34 H new ATOM 0 HD3 LYS A 16 31.117 12.458 0.981 1.00 14.34 H new ATOM 0 HE2 LYS A 16 31.009 10.266 -0.203 1.00 15.06 H new ATOM 0 HE3 LYS A 16 29.258 10.335 -0.173 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 30.128 11.070 -2.281 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 29.343 12.355 -1.496 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 31.039 12.287 -1.526 1.00 15.42 H new ATOM 236 N SER A 17 29.080 9.871 6.478 1.00 11.21 N ATOM 237 CA SER A 17 28.025 9.061 7.092 1.00 10.50 C ATOM 238 C SER A 17 26.737 9.849 7.412 1.00 10.66 C ATOM 239 O SER A 17 25.741 9.271 7.859 1.00 10.17 O ATOM 240 CB SER A 17 28.587 8.476 8.375 1.00 10.42 C ATOM 241 OG SER A 17 29.836 7.853 8.134 1.00 10.72 O ATOM 0 H SER A 17 29.943 9.843 7.021 1.00 11.21 H new ATOM 0 HA SER A 17 27.735 8.293 6.375 1.00 10.50 H new ATOM 0 HB2 SER A 17 28.705 9.264 9.119 1.00 10.42 H new ATOM 0 HB3 SER A 17 27.886 7.750 8.788 1.00 10.42 H new ATOM 0 HG SER A 17 29.780 7.312 7.319 1.00 10.72 H new ATOM 247 N ALA A 18 26.780 11.149 7.208 1.00 11.52 N ATOM 248 CA ALA A 18 25.628 12.013 7.410 1.00 11.99 C ATOM 249 C ALA A 18 24.521 11.634 6.426 1.00 11.45 C ATOM 250 O ALA A 18 23.428 11.242 6.824 1.00 11.42 O ATOM 251 CB ALA A 18 26.033 13.469 7.212 1.00 13.14 C ATOM 0 H ALA A 18 27.617 11.642 6.896 1.00 11.52 H new ATOM 0 HA ALA A 18 25.256 11.887 8.427 1.00 11.99 H new ATOM 0 HB1 ALA A 18 25.166 14.112 7.365 1.00 13.14 H new ATOM 0 HB2 ALA A 18 26.810 13.731 7.930 1.00 13.14 H new ATOM 0 HB3 ALA A 18 26.413 13.607 6.200 1.00 13.14 H new ATOM 257 N MET A 19 24.827 11.717 5.149 1.00 11.20 N ATOM 258 CA MET A 19 23.855 11.396 4.110 1.00 10.90 C ATOM 259 C MET A 19 24.096 10.021 3.542 1.00 9.99 C ATOM 260 O MET A 19 23.256 9.483 2.835 1.00 9.63 O ATOM 261 CB MET A 19 23.860 12.449 2.984 1.00 11.94 C ATOM 262 CG MET A 19 23.403 13.836 3.410 1.00 12.49 C ATOM 263 SD MET A 19 21.702 13.840 4.025 1.00 13.40 S ATOM 264 CE MET A 19 21.507 15.580 4.413 1.00 14.08 C ATOM 0 H MET A 19 25.741 12.004 4.799 1.00 11.20 H new ATOM 0 HA MET A 19 22.871 11.407 4.578 1.00 10.90 H new ATOM 0 HB2 MET A 19 24.869 12.522 2.578 1.00 11.94 H new ATOM 0 HB3 MET A 19 23.216 12.101 2.176 1.00 11.94 H new ATOM 0 HG2 MET A 19 24.069 14.213 4.187 1.00 12.49 H new ATOM 0 HG3 MET A 19 23.483 14.518 2.564 1.00 12.49 H new ATOM 0 HE1 MET A 19 20.506 15.755 4.807 1.00 14.08 H new ATOM 0 HE2 MET A 19 22.246 15.871 5.159 1.00 14.08 H new ATOM 0 HE3 MET A 19 21.650 16.173 3.509 1.00 14.08 H new ATOM 274 N ALA A 20 25.233 9.431 3.877 1.00 9.77 N ATOM 275 CA ALA A 20 25.575 8.103 3.375 1.00 9.13 C ATOM 276 C ALA A 20 24.718 7.022 4.037 1.00 8.17 C ATOM 277 O ALA A 20 24.691 5.874 3.599 1.00 7.84 O ATOM 278 CB ALA A 20 27.057 7.814 3.561 1.00 9.45 C ATOM 0 H ALA A 20 25.934 9.846 4.491 1.00 9.77 H new ATOM 0 HA ALA A 20 25.361 8.088 2.306 1.00 9.13 H new ATOM 0 HB1 ALA A 20 27.284 6.819 3.179 1.00 9.45 H new ATOM 0 HB2 ALA A 20 27.643 8.554 3.017 1.00 9.45 H new ATOM 0 HB3 ALA A 20 27.307 7.861 4.621 1.00 9.45 H new ATOM 284 N ARG A 21 24.014 7.398 5.080 1.00 7.98 N ATOM 285 CA ARG A 21 23.144 6.468 5.766 1.00 7.29 C ATOM 286 C ARG A 21 21.739 6.421 5.159 1.00 7.26 C ATOM 287 O ARG A 21 20.883 5.667 5.646 1.00 7.10 O ATOM 288 CB ARG A 21 23.119 6.731 7.286 1.00 7.43 C ATOM 289 CG ARG A 21 22.759 8.168 7.734 1.00 8.11 C ATOM 290 CD ARG A 21 21.343 8.615 7.361 1.00 8.51 C ATOM 291 NE ARG A 21 20.304 7.761 7.959 1.00 8.99 N ATOM 292 CZ ARG A 21 19.041 8.148 8.217 1.00 9.65 C ATOM 293 NH1 ARG A 21 18.643 9.388 7.939 1.00 9.90 N ATOM 294 NH2 ARG A 21 18.184 7.285 8.745 1.00 10.29 N ATOM 0 H ARG A 21 24.026 8.340 5.472 1.00 7.98 H new ATOM 0 HA ARG A 21 23.566 5.474 5.620 1.00 7.29 H new ATOM 0 HB2 ARG A 21 22.405 6.044 7.739 1.00 7.43 H new ATOM 0 HB3 ARG A 21 24.100 6.483 7.691 1.00 7.43 H new ATOM 0 HG2 ARG A 21 22.875 8.237 8.816 1.00 8.11 H new ATOM 0 HG3 ARG A 21 23.474 8.862 7.292 1.00 8.11 H new ATOM 0 HD2 ARG A 21 21.193 9.645 7.686 1.00 8.51 H new ATOM 0 HD3 ARG A 21 21.237 8.605 6.276 1.00 8.51 H new ATOM 0 HE ARG A 21 20.561 6.803 8.196 1.00 8.99 H new ATOM 0 HH11 ARG A 21 19.297 10.053 7.527 1.00 9.90 H new ATOM 0 HH12 ARG A 21 17.684 9.672 8.138 1.00 9.90 H new ATOM 0 HH21 ARG A 21 18.483 6.332 8.954 1.00 10.29 H new ATOM 0 HH22 ARG A 21 17.226 7.574 8.942 1.00 10.29 H new ATOM 308 N ALA A 22 21.499 7.238 4.138 1.00 7.72 N ATOM 309 CA ALA A 22 20.210 7.255 3.446 1.00 8.05 C ATOM 310 C ALA A 22 20.029 5.945 2.704 1.00 7.56 C ATOM 311 O ALA A 22 20.670 5.727 1.669 1.00 7.73 O ATOM 312 CB ALA A 22 20.125 8.442 2.494 1.00 9.15 C ATOM 0 H ALA A 22 22.182 7.900 3.769 1.00 7.72 H new ATOM 0 HA ALA A 22 19.407 7.365 4.175 1.00 8.05 H new ATOM 0 HB1 ALA A 22 19.159 8.436 1.990 1.00 9.15 H new ATOM 0 HB2 ALA A 22 20.234 9.369 3.057 1.00 9.15 H new ATOM 0 HB3 ALA A 22 20.921 8.372 1.753 1.00 9.15 H new ATOM 318 N LYS A 23 19.157 5.074 3.261 1.00 7.27 N ATOM 319 CA LYS A 23 18.969 3.699 2.790 1.00 7.12 C ATOM 320 C LYS A 23 20.207 2.857 3.041 1.00 6.46 C ATOM 321 O LYS A 23 21.286 3.134 2.528 1.00 6.78 O ATOM 322 CB LYS A 23 18.537 3.588 1.308 1.00 8.04 C ATOM 323 CG LYS A 23 17.113 4.074 0.995 1.00 8.77 C ATOM 324 CD LYS A 23 16.033 3.231 1.709 1.00 9.62 C ATOM 325 CE LYS A 23 15.971 1.776 1.207 1.00 10.49 C ATOM 326 NZ LYS A 23 15.558 1.675 -0.224 1.00 11.12 N ATOM 0 H LYS A 23 18.564 5.315 4.055 1.00 7.27 H new ATOM 0 HA LYS A 23 18.138 3.309 3.378 1.00 7.12 H new ATOM 0 HB2 LYS A 23 19.239 4.159 0.700 1.00 8.04 H new ATOM 0 HB3 LYS A 23 18.622 2.546 1.000 1.00 8.04 H new ATOM 0 HG2 LYS A 23 17.014 5.117 1.296 1.00 8.77 H new ATOM 0 HG3 LYS A 23 16.947 4.035 -0.082 1.00 8.77 H new ATOM 0 HD2 LYS A 23 16.231 3.231 2.781 1.00 9.62 H new ATOM 0 HD3 LYS A 23 15.060 3.701 1.564 1.00 9.62 H new ATOM 0 HE2 LYS A 23 16.949 1.311 1.332 1.00 10.49 H new ATOM 0 HE3 LYS A 23 15.270 1.213 1.823 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 15.304 0.691 -0.443 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 14.737 2.291 -0.393 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 16.345 1.973 -0.834 1.00 11.12 H new ATOM 340 N ASN A 24 20.065 1.847 3.842 1.00 5.86 N ATOM 341 CA ASN A 24 21.150 0.948 4.064 1.00 5.58 C ATOM 342 C ASN A 24 20.622 -0.445 4.265 1.00 5.25 C ATOM 343 O ASN A 24 19.647 -0.638 4.987 1.00 5.71 O ATOM 344 CB ASN A 24 22.103 1.395 5.207 1.00 5.59 C ATOM 345 CG ASN A 24 21.464 1.491 6.582 1.00 6.03 C ATOM 346 OD1 ASN A 24 21.454 0.527 7.339 1.00 6.46 O ATOM 347 ND2 ASN A 24 20.957 2.668 6.925 1.00 6.29 N ATOM 0 H ASN A 24 19.209 1.626 4.351 1.00 5.86 H new ATOM 0 HA ASN A 24 21.774 0.959 3.170 1.00 5.58 H new ATOM 0 HB2 ASN A 24 22.936 0.694 5.259 1.00 5.59 H new ATOM 0 HB3 ASN A 24 22.521 2.368 4.950 1.00 5.59 H new ATOM 0 HD21 ASN A 24 20.540 2.794 7.847 1.00 6.29 H new ATOM 0 HD22 ASN A 24 20.984 3.447 6.267 1.00 6.29 H new ATOM 354 N LEU A 25 21.256 -1.394 3.580 1.00 4.87 N ATOM 355 CA LEU A 25 20.869 -2.810 3.585 1.00 4.97 C ATOM 356 C LEU A 25 19.431 -3.015 3.088 1.00 4.70 C ATOM 357 O LEU A 25 18.480 -3.068 3.876 1.00 4.86 O ATOM 358 CB LEU A 25 21.108 -3.487 4.950 1.00 5.36 C ATOM 359 CG LEU A 25 22.561 -3.531 5.443 1.00 6.04 C ATOM 360 CD1 LEU A 25 22.639 -4.230 6.789 1.00 6.81 C ATOM 361 CD2 LEU A 25 23.464 -4.226 4.419 1.00 6.58 C ATOM 0 H LEU A 25 22.068 -1.201 2.994 1.00 4.87 H new ATOM 0 HA LEU A 25 21.528 -3.309 2.875 1.00 4.97 H new ATOM 0 HB2 LEU A 25 20.508 -2.969 5.698 1.00 5.36 H new ATOM 0 HB3 LEU A 25 20.735 -4.510 4.895 1.00 5.36 H new ATOM 0 HG LEU A 25 22.915 -2.507 5.562 1.00 6.04 H new ATOM 0 HD11 LEU A 25 23.675 -4.254 7.127 1.00 6.81 H new ATOM 0 HD12 LEU A 25 22.033 -3.689 7.516 1.00 6.81 H new ATOM 0 HD13 LEU A 25 22.265 -5.249 6.692 1.00 6.81 H new ATOM 0 HD21 LEU A 25 24.488 -4.245 4.791 1.00 6.58 H new ATOM 0 HD22 LEU A 25 23.116 -5.247 4.261 1.00 6.58 H new ATOM 0 HD23 LEU A 25 23.430 -3.681 3.475 1.00 6.58 H new ATOM 373 N GLU A 26 19.290 -3.103 1.782 1.00 4.76 N ATOM 374 CA GLU A 26 18.020 -3.284 1.156 1.00 4.96 C ATOM 375 C GLU A 26 17.626 -4.748 1.262 1.00 4.83 C ATOM 376 O GLU A 26 18.499 -5.634 1.287 1.00 4.95 O ATOM 377 CB GLU A 26 18.107 -2.824 -0.314 1.00 5.70 C ATOM 378 CG GLU A 26 16.813 -2.948 -1.077 1.00 6.48 C ATOM 379 CD GLU A 26 15.683 -2.145 -0.432 1.00 7.27 C ATOM 380 OE1 GLU A 26 15.572 -0.922 -0.722 1.00 7.68 O ATOM 381 OE2 GLU A 26 14.928 -2.734 0.378 1.00 7.70 O ATOM 0 H GLU A 26 20.070 -3.049 1.127 1.00 4.76 H new ATOM 0 HA GLU A 26 17.256 -2.685 1.651 1.00 4.96 H new ATOM 0 HB2 GLU A 26 18.432 -1.784 -0.339 1.00 5.70 H new ATOM 0 HB3 GLU A 26 18.873 -3.410 -0.822 1.00 5.70 H new ATOM 0 HG2 GLU A 26 16.962 -2.604 -2.101 1.00 6.48 H new ATOM 0 HG3 GLU A 26 16.525 -3.998 -1.132 1.00 6.48 H new ATOM 388 N LYS A 27 16.346 -5.006 1.332 1.00 5.08 N ATOM 389 CA LYS A 27 15.852 -6.354 1.509 1.00 5.48 C ATOM 390 C LYS A 27 14.816 -6.705 0.458 1.00 5.57 C ATOM 391 O LYS A 27 15.098 -7.449 -0.474 1.00 6.04 O ATOM 392 CB LYS A 27 15.274 -6.546 2.925 1.00 6.20 C ATOM 393 CG LYS A 27 16.291 -6.378 4.057 1.00 6.72 C ATOM 394 CD LYS A 27 17.405 -7.416 3.965 1.00 7.40 C ATOM 395 CE LYS A 27 18.436 -7.233 5.071 1.00 8.14 C ATOM 396 NZ LYS A 27 17.861 -7.439 6.429 1.00 8.86 N ATOM 0 H LYS A 27 15.617 -4.295 1.269 1.00 5.08 H new ATOM 0 HA LYS A 27 16.696 -7.033 1.387 1.00 5.48 H new ATOM 0 HB2 LYS A 27 14.464 -5.831 3.073 1.00 6.20 H new ATOM 0 HB3 LYS A 27 14.836 -7.542 2.992 1.00 6.20 H new ATOM 0 HG2 LYS A 27 16.720 -5.377 4.016 1.00 6.72 H new ATOM 0 HG3 LYS A 27 15.786 -6.469 5.018 1.00 6.72 H new ATOM 0 HD2 LYS A 27 16.977 -8.416 4.028 1.00 7.40 H new ATOM 0 HD3 LYS A 27 17.895 -7.340 2.994 1.00 7.40 H new ATOM 0 HE2 LYS A 27 19.256 -7.934 4.918 1.00 8.14 H new ATOM 0 HE3 LYS A 27 18.858 -6.230 5.007 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 18.627 -7.454 7.132 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 17.205 -6.663 6.649 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 17.349 -8.344 6.456 1.00 8.86 H new ATOM 410 N ALA A 28 13.639 -6.157 0.584 1.00 5.50 N ATOM 411 CA ALA A 28 12.581 -6.464 -0.330 1.00 5.97 C ATOM 412 C ALA A 28 11.713 -5.254 -0.581 1.00 6.23 C ATOM 413 O ALA A 28 10.871 -4.893 0.251 1.00 6.48 O ATOM 414 CB ALA A 28 11.740 -7.628 0.185 1.00 6.27 C ATOM 0 H ALA A 28 13.390 -5.492 1.316 1.00 5.50 H new ATOM 0 HA ALA A 28 13.033 -6.759 -1.277 1.00 5.97 H new ATOM 0 HB1 ALA A 28 10.942 -7.843 -0.526 1.00 6.27 H new ATOM 0 HB2 ALA A 28 12.371 -8.509 0.300 1.00 6.27 H new ATOM 0 HB3 ALA A 28 11.305 -7.364 1.149 1.00 6.27 H new ATOM 420 N LYS A 29 11.955 -4.611 -1.698 1.00 6.51 N ATOM 421 CA LYS A 29 11.170 -3.480 -2.109 1.00 7.02 C ATOM 422 C LYS A 29 10.154 -3.915 -3.152 1.00 6.93 C ATOM 423 O LYS A 29 10.442 -4.781 -4.009 1.00 7.10 O ATOM 424 CB LYS A 29 12.064 -2.352 -2.653 1.00 7.79 C ATOM 425 CG LYS A 29 12.957 -2.765 -3.814 1.00 8.36 C ATOM 426 CD LYS A 29 13.760 -1.600 -4.368 1.00 9.07 C ATOM 427 CE LYS A 29 14.711 -2.056 -5.467 1.00 9.70 C ATOM 428 NZ LYS A 29 14.004 -2.675 -6.624 1.00 10.01 N ATOM 0 H LYS A 29 12.703 -4.860 -2.345 1.00 6.51 H new ATOM 0 HA LYS A 29 10.641 -3.088 -1.240 1.00 7.02 H new ATOM 0 HB2 LYS A 29 11.431 -1.525 -2.974 1.00 7.79 H new ATOM 0 HB3 LYS A 29 12.691 -1.978 -1.843 1.00 7.79 H new ATOM 0 HG2 LYS A 29 13.639 -3.549 -3.484 1.00 8.36 H new ATOM 0 HG3 LYS A 29 12.343 -3.190 -4.608 1.00 8.36 H new ATOM 0 HD2 LYS A 29 13.082 -0.843 -4.762 1.00 9.07 H new ATOM 0 HD3 LYS A 29 14.328 -1.132 -3.564 1.00 9.07 H new ATOM 0 HE2 LYS A 29 15.291 -1.202 -5.816 1.00 9.70 H new ATOM 0 HE3 LYS A 29 15.419 -2.774 -5.053 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 14.681 -2.842 -7.395 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 13.583 -3.580 -6.330 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 13.253 -2.036 -6.955 1.00 10.01 H new ATOM 442 N ALA A 30 8.984 -3.332 -3.081 1.00 7.00 N ATOM 443 CA ALA A 30 7.902 -3.660 -3.979 1.00 7.22 C ATOM 444 C ALA A 30 8.104 -2.999 -5.337 1.00 7.17 C ATOM 445 O ALA A 30 8.267 -1.786 -5.423 1.00 7.27 O ATOM 446 CB ALA A 30 6.565 -3.226 -3.370 1.00 7.43 C ATOM 0 H ALA A 30 8.753 -2.613 -2.396 1.00 7.00 H new ATOM 0 HA ALA A 30 7.891 -4.740 -4.126 1.00 7.22 H new ATOM 0 HB1 ALA A 30 5.755 -3.477 -4.054 1.00 7.43 H new ATOM 0 HB2 ALA A 30 6.412 -3.742 -2.422 1.00 7.43 H new ATOM 0 HB3 ALA A 30 6.575 -2.149 -3.200 1.00 7.43 H new ATOM 452 N ALA A 31 8.115 -3.798 -6.374 1.00 7.30 N ATOM 453 CA ALA A 31 8.256 -3.307 -7.727 1.00 7.49 C ATOM 454 C ALA A 31 7.147 -3.877 -8.582 1.00 7.26 C ATOM 455 O ALA A 31 7.159 -5.062 -8.919 1.00 7.29 O ATOM 456 CB ALA A 31 9.624 -3.662 -8.300 1.00 8.16 C ATOM 0 H ALA A 31 8.026 -4.812 -6.306 1.00 7.30 H new ATOM 0 HA ALA A 31 8.180 -2.220 -7.720 1.00 7.49 H new ATOM 0 HB1 ALA A 31 9.702 -3.281 -9.318 1.00 8.16 H new ATOM 0 HB2 ALA A 31 10.404 -3.214 -7.684 1.00 8.16 H new ATOM 0 HB3 ALA A 31 9.745 -4.745 -8.308 1.00 8.16 H new ATOM 462 N GLY A 32 6.173 -3.057 -8.893 1.00 7.31 N ATOM 463 CA GLY A 32 5.048 -3.500 -9.678 1.00 7.37 C ATOM 464 C GLY A 32 4.243 -2.329 -10.168 1.00 7.39 C ATOM 465 O GLY A 32 4.153 -2.085 -11.367 1.00 7.69 O ATOM 0 H GLY A 32 6.137 -2.077 -8.613 1.00 7.31 H new ATOM 0 HA2 GLY A 32 5.400 -4.086 -10.527 1.00 7.37 H new ATOM 0 HA3 GLY A 32 4.416 -4.156 -9.078 1.00 7.37 H new ATOM 469 N LYS A 33 3.682 -1.581 -9.236 1.00 7.33 N ATOM 470 CA LYS A 33 2.900 -0.406 -9.588 1.00 7.58 C ATOM 471 C LYS A 33 3.834 0.795 -9.739 1.00 7.81 C ATOM 472 O LYS A 33 5.063 0.658 -9.582 1.00 8.09 O ATOM 473 CB LYS A 33 1.808 -0.121 -8.529 1.00 7.70 C ATOM 474 CG LYS A 33 0.813 -1.271 -8.304 1.00 7.71 C ATOM 475 CD LYS A 33 0.045 -1.663 -9.578 1.00 8.10 C ATOM 476 CE LYS A 33 -0.882 -0.551 -10.083 1.00 8.68 C ATOM 477 NZ LYS A 33 -1.990 -0.246 -9.134 1.00 8.86 N ATOM 0 H LYS A 33 3.751 -1.763 -8.235 1.00 7.33 H new ATOM 0 HA LYS A 33 2.393 -0.591 -10.535 1.00 7.58 H new ATOM 0 HB2 LYS A 33 2.293 0.112 -7.581 1.00 7.70 H new ATOM 0 HB3 LYS A 33 1.253 0.768 -8.830 1.00 7.70 H new ATOM 0 HG2 LYS A 33 1.352 -2.141 -7.929 1.00 7.71 H new ATOM 0 HG3 LYS A 33 0.100 -0.981 -7.532 1.00 7.71 H new ATOM 0 HD2 LYS A 33 0.758 -1.918 -10.362 1.00 8.10 H new ATOM 0 HD3 LYS A 33 -0.544 -2.558 -9.380 1.00 8.10 H new ATOM 0 HE2 LYS A 33 -0.297 0.353 -10.254 1.00 8.68 H new ATOM 0 HE3 LYS A 33 -1.304 -0.845 -11.044 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 -2.641 0.438 -9.569 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 -2.506 -1.121 -8.910 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 -1.597 0.158 -8.260 1.00 8.86 H new ATOM 491 N GLY A 34 3.268 1.956 -10.023 1.00 7.92 N ATOM 492 CA GLY A 34 4.070 3.141 -10.240 1.00 8.28 C ATOM 493 C GLY A 34 4.582 3.767 -8.952 1.00 8.23 C ATOM 494 O GLY A 34 3.980 4.701 -8.421 1.00 8.16 O ATOM 0 H GLY A 34 2.262 2.100 -10.108 1.00 7.92 H new ATOM 0 HA2 GLY A 34 4.919 2.885 -10.874 1.00 8.28 H new ATOM 0 HA3 GLY A 34 3.478 3.877 -10.783 1.00 8.28 H new ATOM 498 N SER A 35 5.670 3.240 -8.442 1.00 8.52 N ATOM 499 CA SER A 35 6.304 3.772 -7.271 1.00 8.67 C ATOM 500 C SER A 35 7.102 5.012 -7.661 1.00 8.96 C ATOM 501 O SER A 35 8.136 4.911 -8.317 1.00 9.53 O ATOM 502 CB SER A 35 7.217 2.710 -6.656 1.00 8.87 C ATOM 503 OG SER A 35 8.120 2.206 -7.631 1.00 8.86 O ATOM 0 H SER A 35 6.139 2.424 -8.835 1.00 8.52 H new ATOM 0 HA SER A 35 5.555 4.051 -6.530 1.00 8.67 H new ATOM 0 HB2 SER A 35 7.774 3.139 -5.823 1.00 8.87 H new ATOM 0 HB3 SER A 35 6.616 1.895 -6.252 1.00 8.87 H new ATOM 0 HG SER A 35 8.459 2.946 -8.177 1.00 8.86 H new ATOM 509 N GLN A 36 6.600 6.169 -7.308 1.00 8.75 N ATOM 510 CA GLN A 36 7.258 7.406 -7.688 1.00 9.17 C ATOM 511 C GLN A 36 7.627 8.214 -6.462 1.00 8.70 C ATOM 512 O GLN A 36 8.778 8.249 -6.062 1.00 8.58 O ATOM 513 CB GLN A 36 6.399 8.227 -8.693 1.00 10.09 C ATOM 514 CG GLN A 36 6.084 7.486 -9.996 1.00 10.66 C ATOM 515 CD GLN A 36 5.368 8.341 -11.038 1.00 11.45 C ATOM 516 OE1 GLN A 36 5.520 8.120 -12.238 1.00 11.91 O ATOM 517 NE2 GLN A 36 4.591 9.307 -10.602 1.00 11.81 N ATOM 0 H GLN A 36 5.746 6.286 -6.763 1.00 8.75 H new ATOM 0 HA GLN A 36 8.183 7.152 -8.205 1.00 9.17 H new ATOM 0 HB2 GLN A 36 5.462 8.506 -8.211 1.00 10.09 H new ATOM 0 HB3 GLN A 36 6.923 9.153 -8.931 1.00 10.09 H new ATOM 0 HG2 GLN A 36 7.014 7.113 -10.424 1.00 10.66 H new ATOM 0 HG3 GLN A 36 5.467 6.617 -9.768 1.00 10.66 H new ATOM 0 HE21 GLN A 36 4.486 9.464 -9.600 1.00 11.81 H new ATOM 0 HE22 GLN A 36 4.093 9.900 -11.266 1.00 11.81 H new ATOM 526 N LEU A 37 6.649 8.862 -5.855 1.00 8.63 N ATOM 527 CA LEU A 37 6.912 9.631 -4.642 1.00 8.33 C ATOM 528 C LEU A 37 6.499 8.857 -3.391 1.00 7.59 C ATOM 529 O LEU A 37 7.162 8.941 -2.366 1.00 7.53 O ATOM 530 CB LEU A 37 6.220 11.028 -4.653 1.00 8.94 C ATOM 531 CG LEU A 37 6.716 12.087 -5.681 1.00 9.62 C ATOM 532 CD1 LEU A 37 6.428 11.690 -7.129 1.00 10.08 C ATOM 533 CD2 LEU A 37 6.112 13.452 -5.376 1.00 9.94 C ATOM 0 H LEU A 37 5.679 8.875 -6.172 1.00 8.63 H new ATOM 0 HA LEU A 37 7.989 9.796 -4.619 1.00 8.33 H new ATOM 0 HB2 LEU A 37 5.155 10.871 -4.825 1.00 8.94 H new ATOM 0 HB3 LEU A 37 6.322 11.458 -3.657 1.00 8.94 H new ATOM 0 HG LEU A 37 7.800 12.140 -5.577 1.00 9.62 H new ATOM 0 HD11 LEU A 37 6.796 12.467 -7.799 1.00 10.08 H new ATOM 0 HD12 LEU A 37 6.929 10.748 -7.355 1.00 10.08 H new ATOM 0 HD13 LEU A 37 5.353 11.572 -7.267 1.00 10.08 H new ATOM 0 HD21 LEU A 37 6.470 14.179 -6.105 1.00 9.94 H new ATOM 0 HD22 LEU A 37 5.025 13.389 -5.430 1.00 9.94 H new ATOM 0 HD23 LEU A 37 6.408 13.765 -4.375 1.00 9.94 H new ATOM 545 N GLU A 38 5.401 8.093 -3.514 1.00 7.28 N ATOM 546 CA GLU A 38 4.807 7.321 -2.413 1.00 6.85 C ATOM 547 C GLU A 38 4.397 8.245 -1.259 1.00 6.29 C ATOM 548 O GLU A 38 5.206 8.592 -0.390 1.00 6.53 O ATOM 549 CB GLU A 38 5.715 6.206 -1.904 1.00 7.02 C ATOM 550 CG GLU A 38 5.052 5.353 -0.829 1.00 7.23 C ATOM 551 CD GLU A 38 6.010 4.418 -0.166 1.00 7.58 C ATOM 552 OE1 GLU A 38 6.206 3.321 -0.657 1.00 7.86 O ATOM 553 OE2 GLU A 38 6.576 4.794 0.880 1.00 7.82 O ATOM 0 H GLU A 38 4.895 7.994 -4.394 1.00 7.28 H new ATOM 0 HA GLU A 38 3.919 6.840 -2.822 1.00 6.85 H new ATOM 0 HB2 GLU A 38 6.005 5.569 -2.740 1.00 7.02 H new ATOM 0 HB3 GLU A 38 6.630 6.642 -1.503 1.00 7.02 H new ATOM 0 HG2 GLU A 38 4.606 6.004 -0.077 1.00 7.23 H new ATOM 0 HG3 GLU A 38 4.240 4.779 -1.275 1.00 7.23 H new ATOM 560 N ALA A 39 3.139 8.653 -1.258 1.00 5.86 N ATOM 561 CA ALA A 39 2.643 9.564 -0.242 1.00 5.57 C ATOM 562 C ALA A 39 1.147 9.454 -0.130 1.00 5.31 C ATOM 563 O ALA A 39 0.604 9.332 0.958 1.00 5.56 O ATOM 564 CB ALA A 39 3.027 10.999 -0.590 1.00 5.92 C ATOM 0 H ALA A 39 2.444 8.368 -1.948 1.00 5.86 H new ATOM 0 HA ALA A 39 3.092 9.295 0.714 1.00 5.57 H new ATOM 0 HB1 ALA A 39 2.650 11.673 0.179 1.00 5.92 H new ATOM 0 HB2 ALA A 39 4.112 11.082 -0.645 1.00 5.92 H new ATOM 0 HB3 ALA A 39 2.593 11.268 -1.553 1.00 5.92 H new ATOM 570 N ASN A 40 0.507 9.467 -1.287 1.00 5.21 N ATOM 571 CA ASN A 40 -0.955 9.443 -1.434 1.00 5.30 C ATOM 572 C ASN A 40 -1.666 8.384 -0.573 1.00 4.90 C ATOM 573 O ASN A 40 -2.644 8.687 0.081 1.00 4.87 O ATOM 574 CB ASN A 40 -1.356 9.288 -2.925 1.00 5.95 C ATOM 575 CG ASN A 40 -0.842 8.001 -3.579 1.00 6.36 C ATOM 576 OD1 ASN A 40 0.218 7.467 -3.205 1.00 6.54 O ATOM 577 ND2 ASN A 40 -1.566 7.508 -4.547 1.00 6.88 N ATOM 0 H ASN A 40 0.996 9.495 -2.182 1.00 5.21 H new ATOM 0 HA ASN A 40 -1.298 10.407 -1.058 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -2.443 9.314 -3.003 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -0.976 10.144 -3.483 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -1.268 6.657 -5.024 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -2.429 7.974 -4.826 1.00 6.88 H new ATOM 584 N LYS A 41 -1.170 7.164 -0.572 1.00 4.91 N ATOM 585 CA LYS A 41 -1.822 6.102 0.170 1.00 4.79 C ATOM 586 C LYS A 41 -0.823 5.241 0.926 1.00 5.11 C ATOM 587 O LYS A 41 -1.073 4.061 1.169 1.00 5.52 O ATOM 588 CB LYS A 41 -2.688 5.242 -0.775 1.00 5.30 C ATOM 589 CG LYS A 41 -1.955 4.645 -1.969 1.00 6.03 C ATOM 590 CD LYS A 41 -2.914 3.816 -2.823 1.00 6.55 C ATOM 591 CE LYS A 41 -2.234 3.215 -4.050 1.00 7.33 C ATOM 592 NZ LYS A 41 -1.135 2.272 -3.715 1.00 7.95 N ATOM 0 H LYS A 41 -0.326 6.883 -1.071 1.00 4.91 H new ATOM 0 HA LYS A 41 -2.470 6.566 0.914 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -3.129 4.430 -0.198 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -3.511 5.854 -1.144 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -1.518 5.442 -2.571 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -1.132 4.019 -1.623 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -3.335 3.015 -2.216 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -3.745 4.444 -3.143 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -2.980 2.693 -4.650 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -1.836 4.021 -4.666 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -0.773 1.837 -4.587 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -0.367 2.789 -3.241 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -1.495 1.530 -3.082 1.00 7.95 H new ATOM 606 N LYS A 42 0.272 5.850 1.390 1.00 5.29 N ATOM 607 CA LYS A 42 1.301 5.078 2.117 1.00 6.01 C ATOM 608 C LYS A 42 0.923 4.925 3.590 1.00 6.11 C ATOM 609 O LYS A 42 1.701 4.457 4.396 1.00 6.74 O ATOM 610 CB LYS A 42 2.688 5.716 1.971 1.00 6.24 C ATOM 611 CG LYS A 42 2.877 7.059 2.681 1.00 6.53 C ATOM 612 CD LYS A 42 4.258 7.654 2.400 1.00 7.13 C ATOM 613 CE LYS A 42 5.394 6.730 2.819 1.00 7.68 C ATOM 614 NZ LYS A 42 6.715 7.272 2.422 1.00 8.17 N ATOM 0 H LYS A 42 0.472 6.844 1.284 1.00 5.29 H new ATOM 0 HA LYS A 42 1.348 4.085 1.671 1.00 6.01 H new ATOM 0 HB2 LYS A 42 3.432 5.016 2.352 1.00 6.24 H new ATOM 0 HB3 LYS A 42 2.895 5.854 0.910 1.00 6.24 H new ATOM 0 HG2 LYS A 42 2.106 7.756 2.353 1.00 6.53 H new ATOM 0 HG3 LYS A 42 2.750 6.925 3.755 1.00 6.53 H new ATOM 0 HD2 LYS A 42 4.346 7.871 1.335 1.00 7.13 H new ATOM 0 HD3 LYS A 42 4.354 8.603 2.927 1.00 7.13 H new ATOM 0 HE2 LYS A 42 5.368 6.588 3.899 1.00 7.68 H new ATOM 0 HE3 LYS A 42 5.252 5.749 2.365 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 7.166 6.626 1.743 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 6.589 8.205 1.980 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 7.319 7.366 3.264 1.00 8.17 H new ATOM 628 N ALA A 43 -0.280 5.327 3.905 1.00 5.71 N ATOM 629 CA ALA A 43 -0.818 5.220 5.245 1.00 5.93 C ATOM 630 C ALA A 43 -1.703 3.991 5.355 1.00 5.58 C ATOM 631 O ALA A 43 -2.258 3.719 6.414 1.00 5.78 O ATOM 632 CB ALA A 43 -1.621 6.460 5.573 1.00 5.86 C ATOM 0 H ALA A 43 -0.925 5.744 3.234 1.00 5.71 H new ATOM 0 HA ALA A 43 0.006 5.127 5.952 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -2.024 6.376 6.582 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -0.977 7.337 5.512 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -2.441 6.561 4.862 1.00 5.86 H new ATOM 638 N MET A 44 -1.814 3.258 4.230 1.00 5.27 N ATOM 639 CA MET A 44 -2.669 2.090 4.114 1.00 5.14 C ATOM 640 C MET A 44 -4.120 2.422 4.458 1.00 4.41 C ATOM 641 O MET A 44 -4.588 2.182 5.569 1.00 4.57 O ATOM 642 CB MET A 44 -2.142 0.864 4.895 1.00 5.83 C ATOM 643 CG MET A 44 -0.856 0.223 4.334 1.00 6.40 C ATOM 644 SD MET A 44 0.579 1.326 4.311 1.00 6.97 S ATOM 645 CE MET A 44 1.830 0.255 3.616 1.00 7.62 C ATOM 0 H MET A 44 -1.302 3.473 3.375 1.00 5.27 H new ATOM 0 HA MET A 44 -2.643 1.794 3.065 1.00 5.14 H new ATOM 0 HB2 MET A 44 -1.958 1.164 5.927 1.00 5.83 H new ATOM 0 HB3 MET A 44 -2.925 0.106 4.918 1.00 5.83 H new ATOM 0 HG2 MET A 44 -0.613 -0.657 4.930 1.00 6.40 H new ATOM 0 HG3 MET A 44 -1.050 -0.123 3.319 1.00 6.40 H new ATOM 0 HE1 MET A 44 2.772 0.798 3.541 1.00 7.62 H new ATOM 0 HE2 MET A 44 1.963 -0.615 4.259 1.00 7.62 H new ATOM 0 HE3 MET A 44 1.519 -0.072 2.624 1.00 7.62 H new ATOM 655 N SER A 45 -4.790 3.043 3.500 1.00 3.91 N ATOM 656 CA SER A 45 -6.175 3.452 3.628 1.00 3.31 C ATOM 657 C SER A 45 -7.119 2.254 3.857 1.00 3.15 C ATOM 658 O SER A 45 -7.638 2.050 4.963 1.00 3.30 O ATOM 659 CB SER A 45 -6.576 4.194 2.353 1.00 3.27 C ATOM 660 OG SER A 45 -5.784 5.358 2.163 1.00 3.82 O ATOM 0 H SER A 45 -4.377 3.280 2.598 1.00 3.91 H new ATOM 0 HA SER A 45 -6.266 4.099 4.501 1.00 3.31 H new ATOM 0 HB2 SER A 45 -6.465 3.532 1.494 1.00 3.27 H new ATOM 0 HB3 SER A 45 -7.628 4.472 2.407 1.00 3.27 H new ATOM 0 HG SER A 45 -5.182 5.223 1.402 1.00 3.82 H new ATOM 666 N ILE A 46 -7.330 1.478 2.819 1.00 3.06 N ATOM 667 CA ILE A 46 -8.214 0.327 2.868 1.00 2.90 C ATOM 668 C ILE A 46 -7.469 -0.856 2.312 1.00 3.39 C ATOM 669 O ILE A 46 -6.876 -0.747 1.262 1.00 3.76 O ATOM 670 CB ILE A 46 -9.483 0.568 1.990 1.00 2.48 C ATOM 671 CG1 ILE A 46 -10.284 1.784 2.500 1.00 2.40 C ATOM 672 CG2 ILE A 46 -10.363 -0.689 1.934 1.00 2.38 C ATOM 673 CD1 ILE A 46 -11.505 2.136 1.664 1.00 2.53 C ATOM 0 H ILE A 46 -6.892 1.625 1.909 1.00 3.06 H new ATOM 0 HA ILE A 46 -8.525 0.156 3.899 1.00 2.90 H new ATOM 0 HB ILE A 46 -9.151 0.787 0.975 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -10.605 1.587 3.523 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -9.622 2.649 2.534 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -11.239 -0.493 1.316 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -9.793 -1.513 1.504 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -10.682 -0.955 2.942 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -12.005 3.002 2.097 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -11.194 2.368 0.646 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -12.192 1.290 1.649 1.00 2.53 H new ATOM 685 N GLN A 47 -7.461 -1.946 3.010 1.00 3.62 N ATOM 686 CA GLN A 47 -6.801 -3.133 2.528 1.00 4.26 C ATOM 687 C GLN A 47 -7.830 -4.038 1.901 1.00 4.05 C ATOM 688 O GLN A 47 -8.881 -4.292 2.485 1.00 3.59 O ATOM 689 CB GLN A 47 -6.079 -3.854 3.671 1.00 4.89 C ATOM 690 CG GLN A 47 -5.345 -5.145 3.280 1.00 5.73 C ATOM 691 CD GLN A 47 -4.726 -5.802 4.493 1.00 6.34 C ATOM 692 OE1 GLN A 47 -3.603 -5.513 4.857 1.00 6.66 O ATOM 693 NE2 GLN A 47 -5.452 -6.691 5.120 1.00 6.79 N ATOM 0 H GLN A 47 -7.905 -2.046 3.923 1.00 3.62 H new ATOM 0 HA GLN A 47 -6.053 -2.856 1.785 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -5.358 -3.166 4.113 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -6.808 -4.092 4.445 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -6.042 -5.835 2.804 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -4.569 -4.920 2.548 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -6.391 -6.909 4.787 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -5.079 -7.166 5.942 1.00 6.79 H new ATOM 702 N CYS A 48 -7.539 -4.487 0.715 1.00 4.51 N ATOM 703 CA CYS A 48 -8.396 -5.368 0.001 1.00 4.51 C ATOM 704 C CYS A 48 -8.458 -6.716 0.685 1.00 4.78 C ATOM 705 O CYS A 48 -7.431 -7.384 0.894 1.00 5.43 O ATOM 706 CB CYS A 48 -7.937 -5.510 -1.429 1.00 5.18 C ATOM 707 SG CYS A 48 -9.004 -6.521 -2.451 1.00 5.33 S ATOM 0 H CYS A 48 -6.684 -4.243 0.215 1.00 4.51 H new ATOM 0 HA CYS A 48 -9.400 -4.944 -0.007 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -7.862 -4.518 -1.874 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -6.935 -5.939 -1.435 1.00 5.18 H new ATOM 0 HG CYS A 48 -8.523 -6.577 -3.658 1.00 5.33 H new ATOM 713 N LYS A 49 -9.668 -7.084 0.997 1.00 4.37 N ATOM 714 CA LYS A 49 -10.066 -8.298 1.700 1.00 4.60 C ATOM 715 C LYS A 49 -9.429 -9.547 1.076 1.00 5.45 C ATOM 716 O LYS A 49 -9.118 -10.506 1.779 1.00 5.91 O ATOM 717 CB LYS A 49 -11.601 -8.357 1.557 1.00 4.03 C ATOM 718 CG LYS A 49 -12.390 -9.314 2.478 1.00 4.13 C ATOM 719 CD LYS A 49 -12.144 -10.808 2.217 1.00 4.80 C ATOM 720 CE LYS A 49 -12.554 -11.220 0.804 1.00 5.08 C ATOM 721 NZ LYS A 49 -12.348 -12.662 0.570 1.00 5.64 N ATOM 0 H LYS A 49 -10.473 -6.507 0.753 1.00 4.37 H new ATOM 0 HA LYS A 49 -9.741 -8.277 2.740 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -11.988 -7.350 1.715 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -11.828 -8.627 0.526 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -12.132 -9.093 3.514 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -13.455 -9.110 2.364 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -11.088 -11.033 2.368 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -12.702 -11.399 2.943 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -13.603 -10.972 0.644 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -11.977 -10.648 0.077 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -12.638 -12.901 -0.400 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -11.342 -12.894 0.698 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -12.918 -13.208 1.247 1.00 5.64 H new ATOM 735 N VAL A 50 -9.242 -9.513 -0.237 1.00 5.76 N ATOM 736 CA VAL A 50 -8.725 -10.668 -0.996 1.00 6.62 C ATOM 737 C VAL A 50 -7.338 -11.124 -0.514 1.00 7.31 C ATOM 738 O VAL A 50 -6.959 -12.270 -0.720 1.00 7.94 O ATOM 739 CB VAL A 50 -8.691 -10.405 -2.523 1.00 6.99 C ATOM 740 CG1 VAL A 50 -10.034 -9.910 -3.006 1.00 6.73 C ATOM 741 CG2 VAL A 50 -7.563 -9.459 -2.936 1.00 7.56 C ATOM 0 H VAL A 50 -9.440 -8.694 -0.812 1.00 5.76 H new ATOM 0 HA VAL A 50 -9.431 -11.475 -0.802 1.00 6.62 H new ATOM 0 HB VAL A 50 -8.478 -11.358 -3.008 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -9.991 -9.731 -4.080 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -10.796 -10.660 -2.794 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -10.286 -8.982 -2.493 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -7.589 -9.312 -4.016 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -7.692 -8.499 -2.436 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -6.603 -9.891 -2.651 1.00 7.56 H new ATOM 751 N CYS A 51 -6.599 -10.218 0.121 1.00 7.22 N ATOM 752 CA CYS A 51 -5.290 -10.523 0.659 1.00 7.91 C ATOM 753 C CYS A 51 -4.745 -9.346 1.466 1.00 7.66 C ATOM 754 O CYS A 51 -4.902 -9.293 2.681 1.00 7.62 O ATOM 755 CB CYS A 51 -4.294 -10.939 -0.454 1.00 8.65 C ATOM 756 SG CYS A 51 -2.630 -11.351 0.135 1.00 9.28 S ATOM 0 H CYS A 51 -6.897 -9.254 0.273 1.00 7.22 H new ATOM 0 HA CYS A 51 -5.404 -11.375 1.330 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -4.701 -11.800 -0.984 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -4.218 -10.127 -1.177 1.00 8.65 H new ATOM 0 HG CYS A 51 -1.883 -11.686 -0.875 1.00 9.28 H new ATOM 762 N MET A 52 -4.172 -8.368 0.779 1.00 7.53 N ATOM 763 CA MET A 52 -3.517 -7.258 1.472 1.00 7.36 C ATOM 764 C MET A 52 -3.262 -6.100 0.479 1.00 7.19 C ATOM 765 O MET A 52 -2.270 -5.398 0.539 1.00 7.51 O ATOM 766 CB MET A 52 -2.183 -7.786 2.061 1.00 8.14 C ATOM 767 CG MET A 52 -1.376 -6.792 2.890 1.00 8.25 C ATOM 768 SD MET A 52 0.182 -7.498 3.495 1.00 9.18 S ATOM 769 CE MET A 52 1.014 -7.897 1.947 1.00 9.44 C ATOM 0 H MET A 52 -4.144 -8.316 -0.239 1.00 7.53 H new ATOM 0 HA MET A 52 -4.147 -6.876 2.275 1.00 7.36 H new ATOM 0 HB2 MET A 52 -2.402 -8.654 2.683 1.00 8.14 H new ATOM 0 HB3 MET A 52 -1.558 -8.134 1.238 1.00 8.14 H new ATOM 0 HG2 MET A 52 -1.162 -5.910 2.287 1.00 8.25 H new ATOM 0 HG3 MET A 52 -1.975 -6.460 3.738 1.00 8.25 H new ATOM 0 HE1 MET A 52 2.087 -7.981 2.122 1.00 9.44 H new ATOM 0 HE2 MET A 52 0.634 -8.844 1.563 1.00 9.44 H new ATOM 0 HE3 MET A 52 0.826 -7.108 1.219 1.00 9.44 H new ATOM 779 N GLN A 53 -4.181 -5.894 -0.428 1.00 6.77 N ATOM 780 CA GLN A 53 -3.998 -4.824 -1.440 1.00 6.78 C ATOM 781 C GLN A 53 -4.568 -3.567 -0.866 1.00 5.99 C ATOM 782 O GLN A 53 -5.033 -3.590 0.249 1.00 5.51 O ATOM 783 CB GLN A 53 -4.684 -5.195 -2.755 1.00 7.00 C ATOM 784 CG GLN A 53 -4.361 -6.601 -3.192 1.00 7.73 C ATOM 785 CD GLN A 53 -2.866 -6.841 -3.302 1.00 8.54 C ATOM 786 OE1 GLN A 53 -2.272 -6.649 -4.339 1.00 9.11 O ATOM 787 NE2 GLN A 53 -2.265 -7.256 -2.207 1.00 8.65 N ATOM 0 H GLN A 53 -5.049 -6.423 -0.508 1.00 6.77 H new ATOM 0 HA GLN A 53 -2.941 -4.688 -1.668 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -5.763 -5.091 -2.641 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -4.377 -4.496 -3.532 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -4.789 -7.307 -2.481 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -4.830 -6.796 -4.156 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -2.805 -7.405 -1.354 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -1.260 -7.429 -2.211 1.00 8.65 H new ATOM 796 N THR A 54 -4.584 -2.481 -1.575 1.00 5.92 N ATOM 797 CA THR A 54 -5.091 -1.309 -0.954 1.00 5.23 C ATOM 798 C THR A 54 -5.857 -0.418 -1.907 1.00 5.04 C ATOM 799 O THR A 54 -5.586 -0.375 -3.120 1.00 5.63 O ATOM 800 CB THR A 54 -3.978 -0.516 -0.189 1.00 5.45 C ATOM 801 OG1 THR A 54 -4.559 0.510 0.619 1.00 4.93 O ATOM 802 CG2 THR A 54 -3.000 0.120 -1.141 1.00 5.93 C ATOM 0 H THR A 54 -4.267 -2.385 -2.540 1.00 5.92 H new ATOM 0 HA THR A 54 -5.811 -1.655 -0.212 1.00 5.23 H new ATOM 0 HB THR A 54 -3.449 -1.233 0.439 1.00 5.45 H new ATOM 0 HG1 THR A 54 -5.434 0.213 0.945 1.00 4.93 H new ATOM 0 HG21 THR A 54 -2.242 0.662 -0.576 1.00 5.93 H new ATOM 0 HG22 THR A 54 -2.521 -0.654 -1.741 1.00 5.93 H new ATOM 0 HG23 THR A 54 -3.528 0.813 -1.796 1.00 5.93 H new ATOM 810 N PHE A 55 -6.821 0.265 -1.349 1.00 4.34 N ATOM 811 CA PHE A 55 -7.645 1.209 -2.012 1.00 4.27 C ATOM 812 C PHE A 55 -7.560 2.479 -1.233 1.00 3.93 C ATOM 813 O PHE A 55 -7.286 2.441 -0.029 1.00 3.54 O ATOM 814 CB PHE A 55 -9.096 0.746 -2.061 1.00 3.91 C ATOM 815 CG PHE A 55 -9.327 -0.492 -2.867 1.00 4.29 C ATOM 816 CD1 PHE A 55 -9.458 -0.406 -4.236 1.00 4.83 C ATOM 817 CD2 PHE A 55 -9.427 -1.740 -2.260 1.00 4.24 C ATOM 818 CE1 PHE A 55 -9.679 -1.525 -4.993 1.00 5.27 C ATOM 819 CE2 PHE A 55 -9.644 -2.857 -3.017 1.00 4.63 C ATOM 820 CZ PHE A 55 -9.771 -2.753 -4.390 1.00 5.13 C ATOM 0 H PHE A 55 -7.056 0.163 -0.362 1.00 4.34 H new ATOM 0 HA PHE A 55 -7.308 1.337 -3.041 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -9.442 0.571 -1.042 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -9.707 1.550 -2.471 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -9.385 0.558 -4.718 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -9.333 -1.826 -1.188 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -9.781 -1.441 -6.065 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -9.717 -3.824 -2.541 1.00 4.63 H new ATOM 0 HZ PHE A 55 -9.942 -3.637 -4.986 1.00 5.13 H new ATOM 830 N ILE A 56 -7.777 3.588 -1.886 1.00 4.24 N ATOM 831 CA ILE A 56 -7.683 4.869 -1.252 1.00 4.10 C ATOM 832 C ILE A 56 -8.949 5.159 -0.449 1.00 3.68 C ATOM 833 O ILE A 56 -10.066 4.832 -0.886 1.00 3.75 O ATOM 834 CB ILE A 56 -7.432 5.997 -2.305 1.00 4.78 C ATOM 835 CG1 ILE A 56 -7.225 7.374 -1.644 1.00 4.73 C ATOM 836 CG2 ILE A 56 -8.545 6.064 -3.366 1.00 5.23 C ATOM 837 CD1 ILE A 56 -5.989 7.471 -0.779 1.00 4.53 C ATOM 0 H ILE A 56 -8.024 3.626 -2.875 1.00 4.24 H new ATOM 0 HA ILE A 56 -6.834 4.849 -0.569 1.00 4.10 H new ATOM 0 HB ILE A 56 -6.506 5.731 -2.815 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -7.168 8.133 -2.424 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -8.099 7.607 -1.035 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -8.325 6.863 -4.074 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -8.600 5.113 -3.897 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -9.500 6.263 -2.880 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -5.920 8.472 -0.353 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -6.049 6.738 0.025 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -5.105 7.273 -1.385 1.00 4.53 H new ATOM 849 N CYS A 57 -8.785 5.739 0.723 1.00 3.44 N ATOM 850 CA CYS A 57 -9.914 6.105 1.518 1.00 3.38 C ATOM 851 C CYS A 57 -10.463 7.428 1.005 1.00 3.93 C ATOM 852 O CYS A 57 -10.190 8.487 1.548 1.00 4.21 O ATOM 853 CB CYS A 57 -9.569 6.173 3.018 1.00 3.28 C ATOM 854 SG CYS A 57 -10.968 6.504 4.115 1.00 4.03 S ATOM 0 H CYS A 57 -7.879 5.962 1.135 1.00 3.44 H new ATOM 0 HA CYS A 57 -10.680 5.335 1.424 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -9.112 5.228 3.313 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -8.819 6.950 3.167 1.00 3.28 H new ATOM 0 HG CYS A 57 -12.079 6.246 3.491 1.00 4.03 H new ATOM 860 N THR A 58 -11.131 7.361 -0.121 1.00 4.31 N ATOM 861 CA THR A 58 -11.750 8.522 -0.703 1.00 5.03 C ATOM 862 C THR A 58 -13.204 8.636 -0.224 1.00 5.13 C ATOM 863 O THR A 58 -13.938 9.548 -0.617 1.00 5.79 O ATOM 864 CB THR A 58 -11.678 8.473 -2.267 1.00 5.61 C ATOM 865 OG1 THR A 58 -12.213 9.669 -2.836 1.00 6.01 O ATOM 866 CG2 THR A 58 -12.433 7.261 -2.828 1.00 5.89 C ATOM 0 H THR A 58 -11.259 6.502 -0.656 1.00 4.31 H new ATOM 0 HA THR A 58 -11.204 9.407 -0.376 1.00 5.03 H new ATOM 0 HB THR A 58 -10.626 8.382 -2.537 1.00 5.61 H new ATOM 0 HG1 THR A 58 -12.949 9.996 -2.278 1.00 6.01 H new ATOM 0 HG21 THR A 58 -12.362 7.259 -3.916 1.00 5.89 H new ATOM 0 HG22 THR A 58 -11.994 6.344 -2.434 1.00 5.89 H new ATOM 0 HG23 THR A 58 -13.481 7.317 -2.533 1.00 5.89 H new ATOM 874 N THR A 59 -13.604 7.705 0.618 1.00 4.66 N ATOM 875 CA THR A 59 -14.932 7.660 1.193 1.00 4.98 C ATOM 876 C THR A 59 -14.856 6.862 2.500 1.00 4.60 C ATOM 877 O THR A 59 -14.162 5.841 2.561 1.00 4.34 O ATOM 878 CB THR A 59 -15.975 7.033 0.205 1.00 5.47 C ATOM 879 OG1 THR A 59 -16.032 7.817 -1.016 1.00 6.19 O ATOM 880 CG2 THR A 59 -17.371 7.005 0.824 1.00 5.90 C ATOM 0 H THR A 59 -13.002 6.942 0.928 1.00 4.66 H new ATOM 0 HA THR A 59 -15.276 8.675 1.393 1.00 4.98 H new ATOM 0 HB THR A 59 -15.656 6.013 -0.011 1.00 5.47 H new ATOM 0 HG1 THR A 59 -15.420 8.579 -0.944 1.00 6.19 H new ATOM 0 HG21 THR A 59 -18.074 6.565 0.117 1.00 5.90 H new ATOM 0 HG22 THR A 59 -17.353 6.408 1.736 1.00 5.90 H new ATOM 0 HG23 THR A 59 -17.684 8.022 1.062 1.00 5.90 H new ATOM 888 N SER A 60 -15.524 7.349 3.524 1.00 4.93 N ATOM 889 CA SER A 60 -15.474 6.762 4.815 1.00 5.08 C ATOM 890 C SER A 60 -16.374 5.539 4.866 1.00 4.91 C ATOM 891 O SER A 60 -17.496 5.561 4.336 1.00 5.44 O ATOM 892 CB SER A 60 -15.928 7.805 5.835 1.00 5.82 C ATOM 893 OG SER A 60 -15.169 8.991 5.670 1.00 6.47 O ATOM 0 H SER A 60 -16.120 8.175 3.466 1.00 4.93 H new ATOM 0 HA SER A 60 -14.458 6.442 5.044 1.00 5.08 H new ATOM 0 HB2 SER A 60 -16.989 8.019 5.705 1.00 5.82 H new ATOM 0 HB3 SER A 60 -15.803 7.418 6.846 1.00 5.82 H new ATOM 0 HG SER A 60 -15.462 9.660 6.323 1.00 6.47 H new ATOM 899 N GLU A 61 -15.876 4.497 5.504 1.00 4.39 N ATOM 900 CA GLU A 61 -16.574 3.215 5.698 1.00 4.24 C ATOM 901 C GLU A 61 -17.998 3.403 6.284 1.00 4.81 C ATOM 902 O GLU A 61 -18.898 2.617 6.007 1.00 4.86 O ATOM 903 CB GLU A 61 -15.707 2.304 6.607 1.00 4.06 C ATOM 904 CG GLU A 61 -16.368 1.002 7.065 1.00 4.21 C ATOM 905 CD GLU A 61 -15.450 0.119 7.915 1.00 4.27 C ATOM 906 OE1 GLU A 61 -15.181 0.473 9.081 1.00 4.34 O ATOM 907 OE2 GLU A 61 -14.996 -0.926 7.419 1.00 4.60 O ATOM 0 H GLU A 61 -14.945 4.508 5.920 1.00 4.39 H new ATOM 0 HA GLU A 61 -16.708 2.742 4.725 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -14.790 2.056 6.073 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -15.417 2.873 7.490 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -17.264 1.240 7.639 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -16.691 0.440 6.189 1.00 4.21 H new ATOM 914 N VAL A 62 -18.195 4.457 7.058 1.00 5.34 N ATOM 915 CA VAL A 62 -19.487 4.744 7.634 1.00 6.05 C ATOM 916 C VAL A 62 -20.478 5.253 6.567 1.00 6.40 C ATOM 917 O VAL A 62 -21.678 4.969 6.629 1.00 6.81 O ATOM 918 CB VAL A 62 -19.359 5.751 8.791 1.00 6.66 C ATOM 919 CG1 VAL A 62 -20.711 6.055 9.392 1.00 7.23 C ATOM 920 CG2 VAL A 62 -18.428 5.199 9.837 1.00 7.09 C ATOM 0 H VAL A 62 -17.467 5.129 7.300 1.00 5.34 H new ATOM 0 HA VAL A 62 -19.885 3.812 8.036 1.00 6.05 H new ATOM 0 HB VAL A 62 -18.950 6.684 8.403 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -20.594 6.769 10.207 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -21.362 6.480 8.628 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -21.154 5.136 9.775 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -18.337 5.912 10.656 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -18.825 4.258 10.217 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -17.446 5.027 9.396 1.00 7.09 H new ATOM 930 N LYS A 63 -19.968 5.964 5.567 1.00 6.35 N ATOM 931 CA LYS A 63 -20.820 6.438 4.485 1.00 6.86 C ATOM 932 C LYS A 63 -21.226 5.260 3.627 1.00 6.61 C ATOM 933 O LYS A 63 -22.367 5.139 3.168 1.00 7.11 O ATOM 934 CB LYS A 63 -20.102 7.536 3.662 1.00 7.01 C ATOM 935 CG LYS A 63 -20.844 7.974 2.403 1.00 7.83 C ATOM 936 CD LYS A 63 -22.274 8.353 2.711 1.00 8.08 C ATOM 937 CE LYS A 63 -22.378 9.533 3.684 1.00 8.93 C ATOM 938 NZ LYS A 63 -21.712 10.755 3.156 1.00 9.36 N ATOM 0 H LYS A 63 -18.984 6.221 5.484 1.00 6.35 H new ATOM 0 HA LYS A 63 -21.721 6.894 4.896 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -19.949 8.407 4.299 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -19.115 7.171 3.378 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -20.330 8.823 1.952 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -20.829 7.167 1.671 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -22.786 8.607 1.783 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -22.790 7.492 3.135 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -23.428 9.749 3.880 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -21.926 9.257 4.637 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -21.935 11.565 3.770 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -20.683 10.608 3.137 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -22.052 10.947 2.192 1.00 9.36 H new ATOM 952 N CYS A 64 -20.295 4.415 3.439 1.00 5.90 N ATOM 953 CA CYS A 64 -20.499 3.186 2.755 1.00 5.63 C ATOM 954 C CYS A 64 -21.504 2.335 3.527 1.00 5.60 C ATOM 955 O CYS A 64 -22.366 1.709 2.937 1.00 5.71 O ATOM 956 CB CYS A 64 -19.166 2.482 2.630 1.00 4.97 C ATOM 957 SG CYS A 64 -17.903 3.533 1.875 1.00 4.95 S ATOM 0 H CYS A 64 -19.338 4.554 3.762 1.00 5.90 H new ATOM 0 HA CYS A 64 -20.903 3.360 1.758 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -18.830 2.167 3.618 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -19.289 1.579 2.032 1.00 4.97 H new ATOM 0 HG CYS A 64 -17.562 4.469 2.710 1.00 4.95 H new ATOM 963 N ARG A 65 -21.409 2.383 4.860 1.00 5.62 N ATOM 964 CA ARG A 65 -22.277 1.654 5.754 1.00 5.84 C ATOM 965 C ARG A 65 -23.746 1.986 5.553 1.00 6.60 C ATOM 966 O ARG A 65 -24.558 1.074 5.354 1.00 6.69 O ATOM 967 CB ARG A 65 -21.862 1.852 7.213 1.00 5.99 C ATOM 968 CG ARG A 65 -22.915 1.412 8.211 1.00 5.98 C ATOM 969 CD ARG A 65 -22.452 1.568 9.648 1.00 6.32 C ATOM 970 NE ARG A 65 -23.569 1.386 10.596 1.00 6.70 N ATOM 971 CZ ARG A 65 -23.506 0.766 11.785 1.00 7.13 C ATOM 972 NH1 ARG A 65 -22.396 0.118 12.170 1.00 7.25 N ATOM 973 NH2 ARG A 65 -24.573 0.770 12.581 1.00 7.69 N ATOM 0 H ARG A 65 -20.709 2.944 5.344 1.00 5.62 H new ATOM 0 HA ARG A 65 -22.160 0.599 5.504 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -20.943 1.296 7.399 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -21.636 2.906 7.377 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -23.822 1.997 8.059 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -23.173 0.369 8.027 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -21.670 0.840 9.861 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -22.013 2.556 9.785 1.00 6.32 H new ATOM 0 HE ARG A 65 -24.474 1.767 10.322 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -21.582 0.091 11.556 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -22.366 -0.348 13.077 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -25.428 1.241 12.285 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -24.536 0.302 13.486 1.00 7.69 H new ATOM 987 N GLU A 66 -24.092 3.271 5.563 1.00 7.20 N ATOM 988 CA GLU A 66 -25.502 3.662 5.433 1.00 8.03 C ATOM 989 C GLU A 66 -26.084 3.205 4.100 1.00 8.03 C ATOM 990 O GLU A 66 -27.231 2.742 4.019 1.00 8.42 O ATOM 991 CB GLU A 66 -25.706 5.183 5.625 1.00 8.67 C ATOM 992 CG GLU A 66 -24.936 6.051 4.629 1.00 8.45 C ATOM 993 CD GLU A 66 -25.310 7.525 4.672 1.00 9.17 C ATOM 994 OE1 GLU A 66 -24.855 8.208 5.615 1.00 9.78 O ATOM 995 OE2 GLU A 66 -26.063 8.008 3.783 1.00 9.24 O ATOM 0 H GLU A 66 -23.436 4.047 5.657 1.00 7.20 H new ATOM 0 HA GLU A 66 -26.042 3.157 6.234 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -26.769 5.409 5.540 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -25.402 5.454 6.636 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -23.869 5.952 4.826 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -25.111 5.672 3.622 1.00 8.45 H new ATOM 1002 N HIS A 67 -25.285 3.291 3.070 1.00 7.64 N ATOM 1003 CA HIS A 67 -25.741 2.948 1.750 1.00 7.74 C ATOM 1004 C HIS A 67 -25.800 1.432 1.599 1.00 7.19 C ATOM 1005 O HIS A 67 -26.655 0.897 0.901 1.00 7.42 O ATOM 1006 CB HIS A 67 -24.816 3.558 0.696 1.00 7.65 C ATOM 1007 CG HIS A 67 -25.296 3.408 -0.714 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -26.018 4.382 -1.360 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -25.118 2.415 -1.612 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -26.264 3.999 -2.594 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -25.729 2.812 -2.778 1.00 8.28 N ATOM 0 H HIS A 67 -24.313 3.596 3.120 1.00 7.64 H new ATOM 0 HA HIS A 67 -26.742 3.353 1.603 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -24.690 4.619 0.912 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -23.833 3.096 0.783 1.00 7.65 H new ATOM 0 HD1 HIS A 67 -26.317 5.265 -0.947 1.00 8.79 H new ATOM 0 HD2 HIS A 67 -24.595 1.485 -1.446 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -26.813 4.565 -3.332 1.00 8.97 H new ATOM 1020 N ALA A 68 -24.913 0.759 2.281 1.00 6.53 N ATOM 1021 CA ALA A 68 -24.799 -0.679 2.212 1.00 6.01 C ATOM 1022 C ALA A 68 -25.884 -1.358 2.986 1.00 6.43 C ATOM 1023 O ALA A 68 -26.209 -2.496 2.703 1.00 6.43 O ATOM 1024 CB ALA A 68 -23.456 -1.104 2.718 1.00 5.28 C ATOM 0 H ALA A 68 -24.239 1.196 2.909 1.00 6.53 H new ATOM 0 HA ALA A 68 -24.906 -0.977 1.169 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -23.374 -2.190 2.664 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -22.676 -0.650 2.106 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -23.338 -0.782 3.753 1.00 5.28 H new ATOM 1030 N GLU A 69 -26.422 -0.704 3.964 1.00 6.88 N ATOM 1031 CA GLU A 69 -27.519 -1.276 4.694 1.00 7.44 C ATOM 1032 C GLU A 69 -28.845 -1.041 3.984 1.00 8.10 C ATOM 1033 O GLU A 69 -29.824 -1.755 4.217 1.00 8.50 O ATOM 1034 CB GLU A 69 -27.544 -0.789 6.126 1.00 7.93 C ATOM 1035 CG GLU A 69 -26.312 -1.222 6.914 1.00 7.64 C ATOM 1036 CD GLU A 69 -26.121 -2.734 6.899 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -26.878 -3.445 7.580 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -25.213 -3.229 6.197 1.00 7.77 O ATOM 0 H GLU A 69 -26.126 0.220 4.278 1.00 6.88 H new ATOM 0 HA GLU A 69 -27.366 -2.355 4.728 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -27.613 0.299 6.135 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -28.439 -1.169 6.620 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -25.428 -0.742 6.495 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -26.403 -0.879 7.945 1.00 7.64 H new ATOM 1045 N ALA A 70 -28.878 -0.047 3.117 1.00 8.29 N ATOM 1046 CA ALA A 70 -30.063 0.216 2.311 1.00 8.98 C ATOM 1047 C ALA A 70 -30.116 -0.735 1.107 1.00 8.74 C ATOM 1048 O ALA A 70 -31.184 -1.126 0.658 1.00 9.31 O ATOM 1049 CB ALA A 70 -30.062 1.659 1.838 1.00 9.41 C ATOM 0 H ALA A 70 -28.101 0.593 2.950 1.00 8.29 H new ATOM 0 HA ALA A 70 -30.947 0.046 2.926 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -30.952 1.845 1.236 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -30.061 2.325 2.701 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -29.172 1.844 1.236 1.00 9.41 H new ATOM 1055 N LYS A 71 -28.944 -1.098 0.604 1.00 7.94 N ATOM 1056 CA LYS A 71 -28.813 -1.981 -0.555 1.00 7.72 C ATOM 1057 C LYS A 71 -28.462 -3.416 -0.173 1.00 7.00 C ATOM 1058 O LYS A 71 -29.336 -4.248 0.032 1.00 7.10 O ATOM 1059 CB LYS A 71 -27.753 -1.425 -1.512 1.00 7.70 C ATOM 1060 CG LYS A 71 -28.244 -0.567 -2.666 1.00 8.55 C ATOM 1061 CD LYS A 71 -29.133 0.586 -2.271 1.00 9.28 C ATOM 1062 CE LYS A 71 -29.533 1.350 -3.522 1.00 10.04 C ATOM 1063 NZ LYS A 71 -30.482 2.444 -3.254 1.00 10.32 N ATOM 0 H LYS A 71 -28.051 -0.789 0.988 1.00 7.94 H new ATOM 0 HA LYS A 71 -29.787 -2.011 -1.044 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -27.047 -0.835 -0.928 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -27.198 -2.266 -1.928 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -27.379 -0.173 -3.199 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -28.788 -1.202 -3.365 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -30.020 0.219 -1.754 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -28.610 1.245 -1.578 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -28.639 1.760 -3.991 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -29.979 0.658 -4.236 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -30.716 2.927 -4.145 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -31.350 2.055 -2.832 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -30.051 3.124 -2.595 1.00 10.32 H new ATOM 1077 N HIS A 72 -27.165 -3.661 -0.033 1.00 6.33 N ATOM 1078 CA HIS A 72 -26.565 -4.983 0.277 1.00 5.62 C ATOM 1079 C HIS A 72 -27.095 -6.177 -0.544 1.00 5.65 C ATOM 1080 O HIS A 72 -27.649 -7.120 0.016 1.00 5.60 O ATOM 1081 CB HIS A 72 -26.504 -5.317 1.790 1.00 5.47 C ATOM 1082 CG HIS A 72 -27.835 -5.432 2.534 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -28.501 -6.622 2.722 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -28.565 -4.500 3.193 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -29.576 -6.413 3.458 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -29.634 -5.132 3.761 1.00 7.47 N ATOM 0 H HIS A 72 -26.464 -2.927 -0.133 1.00 6.33 H new ATOM 0 HA HIS A 72 -25.539 -4.840 -0.063 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -25.969 -6.260 1.907 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -25.907 -4.549 2.282 1.00 5.47 H new ATOM 0 HD2 HIS A 72 -28.341 -3.445 3.258 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -30.289 -7.166 3.761 1.00 7.21 H new ATOM 0 HE2 HIS A 72 -30.357 -4.687 4.326 1.00 7.47 H new ATOM 1095 N PRO A 73 -26.980 -6.148 -1.874 1.00 5.90 N ATOM 1096 CA PRO A 73 -27.359 -7.265 -2.689 1.00 6.06 C ATOM 1097 C PRO A 73 -26.264 -8.319 -2.759 1.00 5.49 C ATOM 1098 O PRO A 73 -26.488 -9.473 -2.435 1.00 5.49 O ATOM 1099 CB PRO A 73 -27.630 -6.655 -4.072 1.00 6.60 C ATOM 1100 CG PRO A 73 -27.438 -5.186 -3.901 1.00 6.81 C ATOM 1101 CD PRO A 73 -26.560 -5.023 -2.698 1.00 6.21 C ATOM 0 HA PRO A 73 -28.227 -7.785 -2.283 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -26.946 -7.056 -4.819 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -28.641 -6.882 -4.411 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -26.975 -4.747 -4.785 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -28.394 -4.681 -3.758 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -25.502 -5.075 -2.953 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -26.721 -4.067 -2.199 1.00 6.21 H new ATOM 1109 N LYS A 74 -25.071 -7.910 -3.170 1.00 5.12 N ATOM 1110 CA LYS A 74 -23.983 -8.834 -3.325 1.00 4.75 C ATOM 1111 C LYS A 74 -22.639 -8.126 -3.342 1.00 4.46 C ATOM 1112 O LYS A 74 -22.315 -7.380 -4.273 1.00 4.75 O ATOM 1113 CB LYS A 74 -24.201 -9.734 -4.587 1.00 5.23 C ATOM 1114 CG LYS A 74 -24.298 -8.985 -5.929 1.00 5.74 C ATOM 1115 CD LYS A 74 -24.909 -9.879 -7.030 1.00 6.36 C ATOM 1116 CE LYS A 74 -24.078 -11.137 -7.344 1.00 6.91 C ATOM 1117 NZ LYS A 74 -22.808 -10.833 -8.022 1.00 7.32 N ATOM 0 H LYS A 74 -24.844 -6.942 -3.399 1.00 5.12 H new ATOM 0 HA LYS A 74 -23.968 -9.490 -2.455 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -23.380 -10.448 -4.648 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -25.115 -10.311 -4.446 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -24.908 -8.090 -5.805 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -23.306 -8.654 -6.236 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -25.910 -10.184 -6.723 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -25.020 -9.292 -7.942 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -23.870 -11.669 -6.416 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -24.666 -11.807 -7.970 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -22.035 -11.357 -7.563 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -22.872 -11.115 -9.021 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -22.618 -9.812 -7.962 1.00 7.32 H new ATOM 1131 N ALA A 75 -21.886 -8.303 -2.272 1.00 4.19 N ATOM 1132 CA ALA A 75 -20.508 -7.835 -2.252 1.00 4.02 C ATOM 1133 C ALA A 75 -19.715 -8.772 -3.140 1.00 4.43 C ATOM 1134 O ALA A 75 -19.244 -9.818 -2.707 1.00 4.52 O ATOM 1135 CB ALA A 75 -19.932 -7.790 -0.835 1.00 3.36 C ATOM 0 H ALA A 75 -22.197 -8.761 -1.415 1.00 4.19 H new ATOM 0 HA ALA A 75 -20.455 -6.810 -2.619 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -18.902 -7.435 -0.872 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -20.527 -7.114 -0.222 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -19.956 -8.789 -0.401 1.00 3.36 H new ATOM 1141 N ASP A 76 -19.667 -8.427 -4.414 1.00 5.01 N ATOM 1142 CA ASP A 76 -19.084 -9.287 -5.454 1.00 5.63 C ATOM 1143 C ASP A 76 -17.828 -8.660 -6.024 1.00 5.81 C ATOM 1144 O ASP A 76 -16.724 -9.053 -5.693 1.00 5.63 O ATOM 1145 CB ASP A 76 -20.123 -9.442 -6.545 1.00 6.39 C ATOM 1146 CG ASP A 76 -19.761 -10.414 -7.643 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -19.070 -10.025 -8.571 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -20.237 -11.564 -7.589 1.00 6.80 O ATOM 0 H ASP A 76 -20.030 -7.542 -4.768 1.00 5.01 H new ATOM 0 HA ASP A 76 -18.810 -10.255 -5.034 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -21.059 -9.765 -6.090 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -20.306 -8.465 -6.992 1.00 6.39 H new ATOM 1153 N VAL A 77 -18.010 -7.648 -6.852 1.00 6.30 N ATOM 1154 CA VAL A 77 -16.891 -6.910 -7.403 1.00 6.58 C ATOM 1155 C VAL A 77 -16.380 -5.939 -6.350 1.00 5.93 C ATOM 1156 O VAL A 77 -15.313 -5.373 -6.464 1.00 6.00 O ATOM 1157 CB VAL A 77 -17.270 -6.151 -8.698 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -17.708 -7.138 -9.768 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -18.366 -5.126 -8.436 1.00 7.55 C ATOM 0 H VAL A 77 -18.926 -7.318 -7.158 1.00 6.30 H new ATOM 0 HA VAL A 77 -16.110 -7.621 -7.674 1.00 6.58 H new ATOM 0 HB VAL A 77 -16.390 -5.613 -9.049 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -17.973 -6.596 -10.676 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -16.892 -7.828 -9.982 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -18.573 -7.698 -9.414 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -18.610 -4.609 -9.364 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -19.254 -5.632 -8.057 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -18.019 -4.402 -7.699 1.00 7.55 H new ATOM 1169 N VAL A 78 -17.178 -5.795 -5.308 1.00 5.38 N ATOM 1170 CA VAL A 78 -16.848 -4.971 -4.176 1.00 4.74 C ATOM 1171 C VAL A 78 -16.554 -5.859 -2.979 1.00 4.00 C ATOM 1172 O VAL A 78 -16.458 -5.385 -1.862 1.00 3.42 O ATOM 1173 CB VAL A 78 -17.985 -3.991 -3.810 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -18.296 -3.052 -4.959 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -19.223 -4.736 -3.379 1.00 4.70 C ATOM 0 H VAL A 78 -18.084 -6.256 -5.230 1.00 5.38 H new ATOM 0 HA VAL A 78 -15.974 -4.378 -4.446 1.00 4.74 H new ATOM 0 HB VAL A 78 -17.641 -3.388 -2.970 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -19.100 -2.376 -4.669 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -17.406 -2.473 -5.207 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -18.605 -3.631 -5.829 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -20.008 -4.023 -3.127 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -19.563 -5.377 -4.192 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -18.994 -5.347 -2.506 1.00 4.70 H new ATOM 1185 N ALA A 79 -16.379 -7.176 -3.232 1.00 4.18 N ATOM 1186 CA ALA A 79 -16.035 -8.143 -2.164 1.00 3.76 C ATOM 1187 C ALA A 79 -14.638 -7.857 -1.608 1.00 3.69 C ATOM 1188 O ALA A 79 -14.185 -8.476 -0.640 1.00 3.56 O ATOM 1189 CB ALA A 79 -16.109 -9.574 -2.683 1.00 4.24 C ATOM 0 H ALA A 79 -16.469 -7.592 -4.159 1.00 4.18 H new ATOM 0 HA ALA A 79 -16.762 -8.029 -1.360 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -15.852 -10.266 -1.881 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -17.120 -9.783 -3.032 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -15.407 -9.699 -3.508 1.00 4.24 H new ATOM 1195 N CYS A 80 -13.974 -6.922 -2.243 1.00 4.00 N ATOM 1196 CA CYS A 80 -12.690 -6.455 -1.850 1.00 4.07 C ATOM 1197 C CYS A 80 -12.811 -5.645 -0.567 1.00 3.33 C ATOM 1198 O CYS A 80 -11.865 -5.558 0.211 1.00 3.38 O ATOM 1199 CB CYS A 80 -12.133 -5.610 -2.972 1.00 4.73 C ATOM 1200 SG CYS A 80 -13.226 -4.267 -3.487 1.00 5.60 S ATOM 0 H CYS A 80 -14.336 -6.456 -3.075 1.00 4.00 H new ATOM 0 HA CYS A 80 -12.017 -7.291 -1.657 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -11.179 -5.188 -2.657 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -11.931 -6.251 -3.830 1.00 4.73 H new ATOM 0 HG CYS A 80 -12.666 -3.597 -4.450 1.00 5.60 H new ATOM 1206 N PHE A 81 -13.968 -5.056 -0.368 1.00 2.86 N ATOM 1207 CA PHE A 81 -14.277 -4.349 0.847 1.00 2.27 C ATOM 1208 C PHE A 81 -15.799 -4.362 0.993 1.00 2.17 C ATOM 1209 O PHE A 81 -16.493 -3.481 0.489 1.00 2.52 O ATOM 1210 CB PHE A 81 -13.697 -2.919 0.828 1.00 2.41 C ATOM 1211 CG PHE A 81 -13.756 -2.192 2.157 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -13.084 -2.696 3.268 1.00 3.67 C ATOM 1213 CD2 PHE A 81 -14.468 -1.014 2.295 1.00 3.50 C ATOM 1214 CE1 PHE A 81 -13.125 -2.037 4.473 1.00 4.68 C ATOM 1215 CE2 PHE A 81 -14.513 -0.350 3.508 1.00 4.57 C ATOM 1216 CZ PHE A 81 -13.828 -0.855 4.592 1.00 5.13 C ATOM 0 H PHE A 81 -14.725 -5.056 -1.052 1.00 2.86 H new ATOM 0 HA PHE A 81 -13.818 -4.833 1.709 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -12.658 -2.968 0.502 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -14.237 -2.333 0.085 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -12.524 -3.616 3.181 1.00 3.67 H new ATOM 0 HD2 PHE A 81 -14.996 -0.607 1.445 1.00 3.50 H new ATOM 0 HE1 PHE A 81 -12.606 -2.444 5.328 1.00 4.68 H new ATOM 0 HE2 PHE A 81 -15.084 0.562 3.605 1.00 4.57 H new ATOM 0 HZ PHE A 81 -13.841 -0.326 5.534 1.00 5.13 H new ATOM 1226 N PRO A 82 -16.345 -5.432 1.645 1.00 2.09 N ATOM 1227 CA PRO A 82 -17.821 -5.698 1.744 1.00 2.39 C ATOM 1228 C PRO A 82 -18.631 -4.605 2.444 1.00 2.74 C ATOM 1229 O PRO A 82 -19.820 -4.763 2.666 1.00 3.27 O ATOM 1230 CB PRO A 82 -17.896 -7.003 2.551 1.00 2.47 C ATOM 1231 CG PRO A 82 -16.546 -7.625 2.406 1.00 2.41 C ATOM 1232 CD PRO A 82 -15.566 -6.496 2.317 1.00 2.19 C ATOM 0 HA PRO A 82 -18.260 -5.744 0.747 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -18.130 -6.807 3.597 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -18.677 -7.660 2.167 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -16.321 -8.268 3.257 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -16.500 -8.250 1.514 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -15.221 -6.183 3.302 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -14.682 -6.773 1.743 1.00 2.19 H new ATOM 1240 N HIS A 83 -18.002 -3.512 2.786 1.00 2.68 N ATOM 1241 CA HIS A 83 -18.718 -2.390 3.353 1.00 3.26 C ATOM 1242 C HIS A 83 -19.220 -1.493 2.225 1.00 3.66 C ATOM 1243 O HIS A 83 -19.995 -0.595 2.444 1.00 4.25 O ATOM 1244 CB HIS A 83 -17.859 -1.572 4.361 1.00 3.25 C ATOM 1245 CG HIS A 83 -17.503 -2.293 5.636 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -18.138 -2.046 6.833 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -16.553 -3.226 5.904 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -17.600 -2.797 7.781 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -16.638 -3.522 7.243 1.00 4.19 N ATOM 0 H HIS A 83 -16.997 -3.370 2.684 1.00 2.68 H new ATOM 0 HA HIS A 83 -19.560 -2.786 3.920 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -16.937 -1.268 3.865 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -18.399 -0.660 4.617 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -15.860 -3.655 5.196 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -17.898 -2.813 8.819 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -16.053 -4.193 7.740 1.00 4.19 H new ATOM 1258 N LEU A 84 -18.770 -1.791 0.996 1.00 3.56 N ATOM 1259 CA LEU A 84 -19.105 -0.985 -0.179 1.00 4.20 C ATOM 1260 C LEU A 84 -20.249 -1.624 -0.981 1.00 4.81 C ATOM 1261 O LEU A 84 -20.544 -1.190 -2.093 1.00 5.47 O ATOM 1262 CB LEU A 84 -17.882 -0.869 -1.094 1.00 4.05 C ATOM 1263 CG LEU A 84 -16.579 -0.434 -0.434 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -15.472 -0.276 -1.461 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -16.755 0.835 0.377 1.00 3.49 C ATOM 0 H LEU A 84 -18.170 -2.590 0.794 1.00 3.56 H new ATOM 0 HA LEU A 84 -19.417 -0.001 0.171 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -17.718 -1.836 -1.569 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -18.116 -0.160 -1.888 1.00 4.05 H new ATOM 0 HG LEU A 84 -16.288 -1.224 0.258 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -14.554 0.035 -0.962 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -15.306 -1.227 -1.966 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -15.760 0.478 -2.193 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -15.803 1.111 0.831 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -17.093 1.640 -0.276 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -17.495 0.667 1.159 1.00 3.49 H new ATOM 1277 N LYS A 85 -20.862 -2.669 -0.407 1.00 4.68 N ATOM 1278 CA LYS A 85 -21.982 -3.396 -1.027 1.00 5.28 C ATOM 1279 C LYS A 85 -23.108 -2.474 -1.510 1.00 6.06 C ATOM 1280 O LYS A 85 -23.886 -1.920 -0.722 1.00 6.40 O ATOM 1281 CB LYS A 85 -22.461 -4.543 -0.098 1.00 5.04 C ATOM 1282 CG LYS A 85 -22.762 -4.114 1.334 1.00 5.59 C ATOM 1283 CD LYS A 85 -22.880 -5.311 2.272 1.00 6.41 C ATOM 1284 CE LYS A 85 -23.031 -4.879 3.740 1.00 7.19 C ATOM 1285 NZ LYS A 85 -24.361 -4.303 4.028 1.00 8.04 N ATOM 0 H LYS A 85 -20.594 -3.037 0.506 1.00 4.68 H new ATOM 0 HA LYS A 85 -21.615 -3.859 -1.943 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -23.358 -4.989 -0.526 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -21.697 -5.320 -0.078 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -21.972 -3.451 1.688 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -23.690 -3.543 1.355 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -23.739 -5.916 1.982 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -21.997 -5.941 2.168 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -22.864 -5.740 4.387 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -22.261 -4.145 3.980 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -24.342 -3.831 4.955 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -24.606 -3.611 3.292 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -25.072 -5.061 4.041 1.00 8.04 H new ATOM 1299 N LYS A 86 -23.148 -2.328 -2.818 1.00 6.60 N ATOM 1300 CA LYS A 86 -24.041 -1.440 -3.518 1.00 7.50 C ATOM 1301 C LYS A 86 -24.937 -2.229 -4.450 1.00 8.13 C ATOM 1302 O LYS A 86 -26.104 -2.397 -4.134 1.00 8.62 O ATOM 1303 CB LYS A 86 -23.239 -0.426 -4.348 1.00 8.04 C ATOM 1304 CG LYS A 86 -24.115 0.464 -5.205 1.00 8.96 C ATOM 1305 CD LYS A 86 -23.303 1.276 -6.178 1.00 9.74 C ATOM 1306 CE LYS A 86 -24.207 2.081 -7.064 1.00 10.66 C ATOM 1307 NZ LYS A 86 -23.458 2.802 -8.103 1.00 11.10 N ATOM 1308 OXT LYS A 86 -24.444 -2.678 -5.508 1.00 8.37 O ATOM 0 H LYS A 86 -22.533 -2.848 -3.444 1.00 6.60 H new ATOM 0 HA LYS A 86 -24.647 -0.914 -2.780 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -22.646 0.195 -3.677 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -22.539 -0.962 -4.989 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -24.831 -0.149 -5.752 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -24.691 1.133 -4.565 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -22.629 1.939 -5.636 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -22.682 0.616 -6.784 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -24.936 1.421 -7.534 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -24.767 2.794 -6.459 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -24.119 3.346 -8.693 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -22.780 3.451 -7.655 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -22.944 2.120 -8.697 1.00 11.10 H new TER 1322 LYS A 86