USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 817 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 71 THR OG1 : rot -19:sc= 0.131 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.123 X(o=0.25,f=0.0023) USER MOD Set 2.1: A 27 SER OG : rot -170:sc= -0.107 USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 TYR OH : rot 43:sc= 0.425 USER MOD Set 3.2: A 35 GLN :FLIP amide:sc= -0.0136 F(o=-0.21,f=0.41) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.14 K(o=-0.14,f=-5.5!) USER MOD Single : A 14 THR OG1 : rot 88:sc= 1.39 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HE2:sc= -2.36! C(o=-2.4!,f=-7.2!) USER MOD Single : A 29 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.18) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -170:sc= -0.895 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.547 (180deg=-1.11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc=-0.00582 X(o=-0.0058,f=-0.0058) USER MOD Single : A 63 GLN : amide:sc= -0.0274 K(o=-0.027,f=-0.76) USER MOD Single : A 66 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.5!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 153:sc= 0.271 (180deg=-0.865!) USER MOD Single : A 76 TYR OH : rot 120:sc= -2.19! USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0.169 (180deg=0.169) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.654 USER MOD Single : A 92 SER OG : rot -18:sc= 0.335 USER MOD Single : A 95 MET CE :methyl 150:sc= -0.099 (180deg=-0.551) USER MOD Single : A 99 TYR OH : rot 31:sc= 1.14 USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.113) USER MOD Single : A 102 MET CE :methyl -156:sc= -0.0273 (180deg=-0.565) USER MOD Single : A 108 GLN :FLIP amide:sc= -1.44! C(o=-2.2!,f=-1.4!) USER MOD Single : A 112 LYS NZ :NH3+ -128:sc= 0.772 (180deg=0) USER MOD Single : A 115 SER OG : rot 9:sc= 0.674 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 17.506 0.193 3.283 1.00 3.56 N ATOM 48 CA LYS A 5 16.172 0.181 2.752 1.00 3.21 C ATOM 49 C LYS A 5 15.219 -0.419 3.751 1.00 2.60 C ATOM 50 O LYS A 5 15.008 -1.630 3.809 1.00 2.48 O ATOM 51 CB LYS A 5 16.072 -0.528 1.441 1.00 3.31 C ATOM 52 CG LYS A 5 16.382 0.368 0.260 1.00 3.91 C ATOM 53 CD LYS A 5 16.057 -0.290 -1.079 1.00 4.47 C ATOM 54 CE LYS A 5 17.012 -1.429 -1.410 1.00 5.34 C ATOM 55 NZ LYS A 5 16.712 -2.041 -2.738 1.00 5.99 N ATOM 0 HA LYS A 5 15.897 1.219 2.565 1.00 3.21 H new ATOM 0 HB2 LYS A 5 16.759 -1.374 1.438 1.00 3.31 H new ATOM 0 HB3 LYS A 5 15.066 -0.933 1.329 1.00 3.31 H new ATOM 0 HG2 LYS A 5 15.814 1.294 0.353 1.00 3.91 H new ATOM 0 HG3 LYS A 5 17.438 0.638 0.281 1.00 3.91 H new ATOM 0 HD2 LYS A 5 15.036 -0.670 -1.056 1.00 4.47 H new ATOM 0 HD3 LYS A 5 16.101 0.459 -1.870 1.00 4.47 H new ATOM 0 HE2 LYS A 5 18.036 -1.056 -1.405 1.00 5.34 H new ATOM 0 HE3 LYS A 5 16.947 -2.193 -0.635 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 17.385 -2.812 -2.925 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 15.743 -2.420 -2.735 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 16.799 -1.318 -3.481 1.00 5.99 H new ATOM 69 N GLU A 6 14.666 0.466 4.541 1.00 2.54 N ATOM 70 CA GLU A 6 13.625 0.150 5.478 1.00 2.10 C ATOM 71 C GLU A 6 12.383 0.862 5.029 1.00 1.84 C ATOM 72 O GLU A 6 12.168 2.036 5.336 1.00 2.27 O ATOM 73 CB GLU A 6 14.050 0.612 6.856 1.00 2.49 C ATOM 74 CG GLU A 6 15.536 0.437 7.051 1.00 2.96 C ATOM 75 CD GLU A 6 16.064 1.090 8.312 1.00 3.57 C ATOM 76 OE1 GLU A 6 16.144 0.414 9.352 1.00 4.01 O ATOM 77 OE2 GLU A 6 16.418 2.286 8.264 1.00 3.94 O ATOM 0 H GLU A 6 14.936 1.450 4.548 1.00 2.54 H new ATOM 0 HA GLU A 6 13.434 -0.922 5.523 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.783 1.660 6.990 1.00 2.49 H new ATOM 0 HB3 GLU A 6 13.511 0.046 7.616 1.00 2.49 H new ATOM 0 HG2 GLU A 6 15.767 -0.628 7.079 1.00 2.96 H new ATOM 0 HG3 GLU A 6 16.058 0.854 6.190 1.00 2.96 H new ATOM 84 N ILE A 7 11.583 0.157 4.283 1.00 1.34 N ATOM 85 CA ILE A 7 10.444 0.766 3.641 1.00 1.10 C ATOM 86 C ILE A 7 9.176 0.500 4.416 1.00 0.99 C ATOM 87 O ILE A 7 8.822 -0.647 4.696 1.00 1.30 O ATOM 88 CB ILE A 7 10.297 0.282 2.186 1.00 1.29 C ATOM 89 CG1 ILE A 7 11.588 0.442 1.410 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.211 1.017 1.467 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.394 1.629 1.821 1.00 2.00 C ATOM 0 H ILE A 7 11.694 -0.841 4.101 1.00 1.34 H new ATOM 0 HA ILE A 7 10.616 1.842 3.625 1.00 1.10 H new ATOM 0 HB ILE A 7 10.040 -0.776 2.242 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.191 -0.457 1.537 1.00 1.73 H new ATOM 0 HG13 ILE A 7 11.355 0.522 0.348 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.138 0.648 0.444 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.262 0.857 1.979 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.440 2.082 1.453 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.303 1.677 1.221 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.810 2.536 1.668 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.659 1.542 2.875 1.00 2.00 H new ATOM 103 N GLU A 8 8.523 1.580 4.789 1.00 0.87 N ATOM 104 CA GLU A 8 7.273 1.507 5.518 1.00 0.93 C ATOM 105 C GLU A 8 6.123 1.950 4.635 1.00 0.86 C ATOM 106 O GLU A 8 6.159 3.036 4.052 1.00 1.29 O ATOM 107 CB GLU A 8 7.338 2.364 6.780 1.00 1.41 C ATOM 108 CG GLU A 8 8.413 1.910 7.746 1.00 1.71 C ATOM 109 CD GLU A 8 8.431 2.697 9.034 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.536 2.483 9.876 1.00 2.70 O ATOM 111 OE2 GLU A 8 9.351 3.516 9.219 1.00 2.71 O ATOM 0 H GLU A 8 8.841 2.530 4.597 1.00 0.87 H new ATOM 0 HA GLU A 8 7.105 0.472 5.815 1.00 0.93 H new ATOM 0 HB2 GLU A 8 7.523 3.401 6.500 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.371 2.337 7.282 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.263 0.855 7.975 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.386 1.996 7.262 1.00 1.71 H new ATOM 118 N ILE A 9 5.104 1.111 4.547 1.00 0.65 N ATOM 119 CA ILE A 9 3.987 1.361 3.675 1.00 0.68 C ATOM 120 C ILE A 9 2.677 1.410 4.461 1.00 0.53 C ATOM 121 O ILE A 9 2.372 0.516 5.243 1.00 0.68 O ATOM 122 CB ILE A 9 3.902 0.333 2.531 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.522 -1.023 2.898 1.00 0.93 C ATOM 124 CG2 ILE A 9 4.566 0.902 1.291 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.625 -1.430 1.970 1.00 1.21 C ATOM 0 H ILE A 9 5.035 0.243 5.079 1.00 0.65 H new ATOM 0 HA ILE A 9 4.151 2.337 3.219 1.00 0.68 H new ATOM 0 HB ILE A 9 2.846 0.145 2.337 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.909 -0.976 3.916 1.00 0.93 H new ATOM 0 HG13 ILE A 9 3.745 -1.787 2.887 1.00 0.93 H new ATOM 0 HG21 ILE A 9 4.507 0.175 0.481 1.00 1.34 H new ATOM 0 HG22 ILE A 9 4.057 1.819 0.994 1.00 1.34 H new ATOM 0 HG23 ILE A 9 5.612 1.121 1.506 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.024 -2.396 2.280 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.236 -1.507 0.955 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.419 -0.684 1.999 1.00 1.21 H new ATOM 137 N VAL A 10 1.924 2.480 4.260 1.00 0.51 N ATOM 138 CA VAL A 10 0.707 2.743 5.018 1.00 0.46 C ATOM 139 C VAL A 10 -0.561 2.199 4.328 1.00 0.41 C ATOM 140 O VAL A 10 -0.825 2.425 3.156 1.00 0.44 O ATOM 141 CB VAL A 10 0.542 4.247 5.281 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.882 4.971 5.285 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.404 4.828 4.279 1.00 0.77 C ATOM 0 H VAL A 10 2.139 3.194 3.564 1.00 0.51 H new ATOM 0 HA VAL A 10 0.819 2.213 5.964 1.00 0.46 H new ATOM 0 HB VAL A 10 0.121 4.384 6.277 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.722 6.032 5.474 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.518 4.555 6.066 1.00 0.92 H new ATOM 0 HG13 VAL A 10 2.367 4.844 4.317 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.521 5.895 4.466 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.008 4.676 3.275 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.373 4.336 4.365 1.00 0.77 H new ATOM 153 N ILE A 11 -1.375 1.501 5.057 1.00 0.40 N ATOM 154 CA ILE A 11 -2.626 1.075 4.496 1.00 0.40 C ATOM 155 C ILE A 11 -3.752 1.882 5.090 1.00 0.44 C ATOM 156 O ILE A 11 -4.007 1.824 6.288 1.00 0.50 O ATOM 157 CB ILE A 11 -2.888 -0.431 4.683 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.804 -1.236 3.987 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.267 -0.804 4.148 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.608 -0.805 2.569 1.00 0.59 C ATOM 0 H ILE A 11 -1.205 1.217 6.022 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.572 1.248 3.421 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.865 -0.664 5.748 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.866 -1.127 4.532 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.066 -2.294 4.011 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.435 -1.872 4.288 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.030 -0.243 4.687 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.322 -0.565 3.086 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.824 -1.408 2.111 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.538 -0.938 2.016 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.319 0.246 2.545 1.00 0.59 H new ATOM 172 N LYS A 12 -4.377 2.678 4.252 1.00 0.46 N ATOM 173 CA LYS A 12 -5.515 3.460 4.654 1.00 0.52 C ATOM 174 C LYS A 12 -6.711 3.101 3.788 1.00 0.50 C ATOM 175 O LYS A 12 -6.553 2.815 2.604 1.00 0.62 O ATOM 176 CB LYS A 12 -5.222 4.950 4.499 1.00 0.55 C ATOM 177 CG LYS A 12 -5.750 5.753 5.665 1.00 0.72 C ATOM 178 CD LYS A 12 -5.423 7.236 5.558 1.00 1.32 C ATOM 179 CE LYS A 12 -6.019 8.008 6.727 1.00 1.65 C ATOM 180 NZ LYS A 12 -5.635 9.445 6.709 1.00 2.08 N ATOM 0 H LYS A 12 -4.108 2.799 3.275 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.731 3.244 5.700 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.146 5.101 4.412 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.671 5.314 3.575 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.831 5.628 5.726 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -5.330 5.359 6.591 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -4.342 7.374 5.539 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.811 7.632 4.620 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -7.105 7.924 6.699 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -5.689 7.558 7.663 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -6.064 9.929 7.523 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -4.600 9.528 6.763 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -5.972 9.883 5.828 1.00 2.08 H new ATOM 194 N ASN A 13 -7.891 3.110 4.370 1.00 0.55 N ATOM 195 CA ASN A 13 -9.122 2.944 3.608 1.00 0.59 C ATOM 196 C ASN A 13 -10.187 3.886 4.157 1.00 0.58 C ATOM 197 O ASN A 13 -10.843 3.607 5.154 1.00 0.95 O ATOM 198 CB ASN A 13 -9.590 1.474 3.588 1.00 1.01 C ATOM 199 CG ASN A 13 -9.431 0.738 4.915 1.00 2.06 C ATOM 200 OD1 ASN A 13 -9.118 -0.452 4.937 1.00 2.81 O ATOM 201 ND2 ASN A 13 -9.677 1.414 6.020 1.00 2.71 N ATOM 0 H ASN A 13 -8.030 3.231 5.373 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.934 3.208 2.567 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -10.639 1.445 3.295 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.030 0.939 2.821 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -9.610 0.951 6.927 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -9.934 2.400 5.968 1.00 2.71 H new ATOM 208 N THR A 14 -10.339 5.021 3.501 1.00 0.47 N ATOM 209 CA THR A 14 -11.096 6.115 4.069 1.00 0.74 C ATOM 210 C THR A 14 -11.932 6.872 3.027 1.00 0.54 C ATOM 211 O THR A 14 -11.582 7.967 2.584 1.00 0.70 O ATOM 212 CB THR A 14 -10.137 7.076 4.787 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.814 8.220 5.309 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.095 7.510 3.813 1.00 1.78 C ATOM 0 H THR A 14 -9.949 5.207 2.577 1.00 0.47 H new ATOM 0 HA THR A 14 -11.805 5.689 4.779 1.00 0.74 H new ATOM 0 HB THR A 14 -9.690 6.554 5.633 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.148 8.020 6.208 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.402 8.194 4.302 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.550 6.638 3.451 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.571 8.015 2.972 1.00 1.78 H new ATOM 222 N LEU A 15 -13.029 6.280 2.598 1.00 0.49 N ATOM 223 CA LEU A 15 -13.986 7.007 1.798 1.00 0.68 C ATOM 224 C LEU A 15 -14.878 7.781 2.748 1.00 0.84 C ATOM 225 O LEU A 15 -15.379 8.866 2.456 1.00 1.18 O ATOM 226 CB LEU A 15 -14.853 6.094 0.910 1.00 0.88 C ATOM 227 CG LEU A 15 -14.108 5.274 -0.140 1.00 0.97 C ATOM 228 CD1 LEU A 15 -12.922 4.625 0.463 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.026 4.260 -0.805 1.00 1.39 C ATOM 0 H LEU A 15 -13.275 5.309 2.789 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.439 7.663 1.121 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.401 5.408 1.556 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -15.592 6.712 0.401 1.00 0.88 H new ATOM 0 HG LEU A 15 -13.762 5.949 -0.923 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.400 4.043 -0.297 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.252 5.388 0.860 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.239 3.965 1.270 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.464 3.693 -1.547 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.422 3.579 -0.052 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -15.850 4.780 -1.293 1.00 1.39 H new ATOM 241 N GLY A 16 -15.057 7.164 3.895 1.00 0.72 N ATOM 242 CA GLY A 16 -15.809 7.730 4.980 1.00 0.87 C ATOM 243 C GLY A 16 -16.122 6.659 5.995 1.00 0.77 C ATOM 244 O GLY A 16 -15.546 5.574 5.914 1.00 1.27 O ATOM 0 H GLY A 16 -14.676 6.240 4.098 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.241 8.534 5.449 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.733 8.170 4.604 1.00 0.87 H new ATOM 248 N PRO A 17 -17.023 6.924 6.947 1.00 0.67 N ATOM 249 CA PRO A 17 -17.328 5.995 8.044 1.00 0.76 C ATOM 250 C PRO A 17 -17.519 4.553 7.581 1.00 0.88 C ATOM 251 O PRO A 17 -18.293 4.285 6.664 1.00 1.27 O ATOM 252 CB PRO A 17 -18.630 6.547 8.610 1.00 1.02 C ATOM 253 CG PRO A 17 -18.565 8.007 8.335 1.00 1.42 C ATOM 254 CD PRO A 17 -17.831 8.154 7.031 1.00 1.13 C ATOM 0 HA PRO A 17 -16.510 5.942 8.762 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.496 6.091 8.131 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.715 6.348 9.678 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.565 8.436 8.270 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -18.045 8.532 9.136 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.520 8.239 6.191 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -17.205 9.046 7.022 1.00 1.13 H new ATOM 262 N SER A 18 -16.779 3.644 8.210 1.00 1.06 N ATOM 263 CA SER A 18 -16.886 2.210 7.952 1.00 1.31 C ATOM 264 C SER A 18 -16.474 1.840 6.526 1.00 1.10 C ATOM 265 O SER A 18 -17.162 1.081 5.845 1.00 1.50 O ATOM 266 CB SER A 18 -18.305 1.725 8.254 1.00 1.75 C ATOM 267 OG SER A 18 -18.676 2.065 9.581 1.00 2.18 O ATOM 0 H SER A 18 -16.084 3.883 8.917 1.00 1.06 H new ATOM 0 HA SER A 18 -16.187 1.705 8.619 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.006 2.172 7.549 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.362 0.645 8.120 1.00 1.75 H new ATOM 0 HG SER A 18 -19.587 1.749 9.757 1.00 2.18 H new ATOM 273 N ARG A 19 -15.354 2.389 6.075 1.00 0.81 N ATOM 274 CA ARG A 19 -14.721 1.923 4.853 1.00 0.66 C ATOM 275 C ARG A 19 -13.669 0.899 5.208 1.00 0.64 C ATOM 276 O ARG A 19 -12.634 1.234 5.775 1.00 1.02 O ATOM 277 CB ARG A 19 -14.100 3.075 4.066 1.00 0.68 C ATOM 278 CG ARG A 19 -14.977 3.596 2.963 1.00 1.15 C ATOM 279 CD ARG A 19 -16.392 3.862 3.447 1.00 1.94 C ATOM 280 NE ARG A 19 -17.377 3.047 2.732 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.630 2.838 3.144 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.057 3.342 4.292 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.458 2.110 2.404 1.00 3.99 N ATOM 0 H ARG A 19 -14.867 3.157 6.538 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.481 1.471 4.215 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -13.872 3.890 4.752 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.154 2.743 3.639 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.550 4.516 2.563 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.002 2.875 2.146 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.455 3.654 4.515 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -16.629 4.918 3.313 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.086 2.608 1.858 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.427 3.896 4.871 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -20.016 3.176 4.597 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.137 1.711 1.522 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.415 1.950 2.718 1.00 3.99 H new ATOM 297 N ILE A 20 -13.955 -0.347 4.899 1.00 0.52 N ATOM 298 CA ILE A 20 -13.106 -1.445 5.319 1.00 0.51 C ATOM 299 C ILE A 20 -12.527 -2.156 4.112 1.00 0.54 C ATOM 300 O ILE A 20 -13.264 -2.613 3.241 1.00 0.76 O ATOM 301 CB ILE A 20 -13.888 -2.478 6.162 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.775 -1.796 7.179 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.946 -3.405 6.878 1.00 0.72 C ATOM 304 CD1 ILE A 20 -14.009 -1.059 8.229 1.00 0.83 C ATOM 0 H ILE A 20 -14.772 -0.628 4.356 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.308 -1.018 5.927 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.510 -3.051 5.474 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.437 -1.099 6.665 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.409 -2.543 7.658 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -13.518 -4.123 7.465 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.335 -3.937 6.149 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -12.301 -2.828 7.540 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.704 -0.593 8.927 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.367 -1.756 8.768 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.396 -0.290 7.759 1.00 0.83 H new ATOM 316 N LEU A 21 -11.216 -2.230 4.042 1.00 0.50 N ATOM 317 CA LEU A 21 -10.574 -3.017 3.009 1.00 0.55 C ATOM 318 C LEU A 21 -9.635 -4.022 3.620 1.00 0.52 C ATOM 319 O LEU A 21 -8.830 -3.697 4.494 1.00 0.75 O ATOM 320 CB LEU A 21 -9.840 -2.139 1.990 1.00 0.72 C ATOM 321 CG LEU A 21 -10.703 -1.706 0.805 1.00 1.39 C ATOM 322 CD1 LEU A 21 -9.947 -0.743 -0.087 1.00 2.23 C ATOM 323 CD2 LEU A 21 -11.157 -2.922 0.008 1.00 2.20 C ATOM 0 H LEU A 21 -10.577 -1.759 4.682 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.357 -3.550 2.470 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.464 -1.250 2.496 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -8.973 -2.683 1.615 1.00 0.72 H new ATOM 0 HG LEU A 21 -11.583 -1.193 1.192 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -10.580 -0.448 -0.924 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -9.668 0.141 0.486 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -9.048 -1.228 -0.466 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -11.771 -2.598 -0.833 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -10.285 -3.459 -0.365 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -11.741 -3.581 0.651 1.00 2.20 H new ATOM 335 N GLN A 22 -9.758 -5.248 3.162 1.00 0.47 N ATOM 336 CA GLN A 22 -8.895 -6.301 3.585 1.00 0.47 C ATOM 337 C GLN A 22 -7.748 -6.377 2.604 1.00 0.42 C ATOM 338 O GLN A 22 -7.901 -6.869 1.485 1.00 0.51 O ATOM 339 CB GLN A 22 -9.672 -7.612 3.627 1.00 0.60 C ATOM 340 CG GLN A 22 -8.831 -8.782 4.062 1.00 0.71 C ATOM 341 CD GLN A 22 -9.572 -10.099 3.958 1.00 0.97 C ATOM 342 OE1 GLN A 22 -10.225 -10.535 4.908 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.482 -10.738 2.804 1.00 1.34 N ATOM 0 H GLN A 22 -10.465 -5.532 2.484 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.507 -6.114 4.586 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.516 -7.506 4.308 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.084 -7.815 2.638 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.931 -8.826 3.449 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.508 -8.631 5.092 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -8.931 -10.341 2.043 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -9.964 -11.628 2.675 1.00 1.34 H new ATOM 352 N TYR A 23 -6.608 -5.861 3.018 1.00 0.42 N ATOM 353 CA TYR A 23 -5.481 -5.730 2.133 1.00 0.42 C ATOM 354 C TYR A 23 -4.543 -6.902 2.310 1.00 0.41 C ATOM 355 O TYR A 23 -4.186 -7.281 3.430 1.00 0.49 O ATOM 356 CB TYR A 23 -4.739 -4.413 2.380 1.00 0.52 C ATOM 357 CG TYR A 23 -3.949 -4.385 3.663 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.558 -4.042 4.857 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.602 -4.687 3.675 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.840 -3.999 6.037 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.873 -4.652 4.845 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.496 -4.361 6.026 1.00 0.63 C ATOM 363 OH TYR A 23 -1.770 -4.259 7.192 1.00 0.74 O ATOM 0 H TYR A 23 -6.443 -5.526 3.967 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.850 -5.722 1.108 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.063 -4.227 1.545 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.462 -3.598 2.393 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.611 -3.804 4.867 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.110 -4.955 2.752 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.315 -3.689 6.956 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.812 -4.854 4.828 1.00 0.63 H new ATOM 0 HH TYR A 23 -2.304 -4.597 7.941 1.00 0.74 H new ATOM 373 N HIS A 24 -4.188 -7.515 1.207 1.00 0.50 N ATOM 374 CA HIS A 24 -3.175 -8.532 1.232 1.00 0.57 C ATOM 375 C HIS A 24 -1.906 -8.017 0.596 1.00 0.60 C ATOM 376 O HIS A 24 -1.768 -8.012 -0.624 1.00 0.58 O ATOM 377 CB HIS A 24 -3.628 -9.797 0.512 1.00 0.61 C ATOM 378 CG HIS A 24 -2.587 -10.872 0.544 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.559 -10.881 1.465 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.394 -11.954 -0.245 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.782 -11.923 1.239 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.266 -12.589 0.209 1.00 0.94 N ATOM 0 H HIS A 24 -4.585 -7.326 0.287 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.989 -8.784 2.276 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.544 -10.167 0.973 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.868 -9.557 -0.524 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.422 -10.191 2.204 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -3.012 -12.260 -1.076 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.101 -12.186 1.802 1.00 0.88 H new ATOM 391 N CYS A 25 -0.992 -7.573 1.422 1.00 0.71 N ATOM 392 CA CYS A 25 0.341 -7.291 0.956 1.00 0.74 C ATOM 393 C CYS A 25 1.243 -8.494 1.130 1.00 0.91 C ATOM 394 O CYS A 25 1.087 -9.278 2.070 1.00 1.01 O ATOM 395 CB CYS A 25 0.940 -6.081 1.673 1.00 0.79 C ATOM 396 SG CYS A 25 1.025 -4.582 0.649 1.00 1.12 S ATOM 0 H CYS A 25 -1.146 -7.400 2.415 1.00 0.71 H new ATOM 0 HA CYS A 25 0.268 -7.058 -0.106 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.346 -5.868 2.562 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.944 -6.334 2.013 1.00 0.79 H new ATOM 401 N ARG A 26 2.153 -8.649 0.190 1.00 1.14 N ATOM 402 CA ARG A 26 3.223 -9.624 0.306 1.00 1.38 C ATOM 403 C ARG A 26 4.551 -8.943 0.025 1.00 1.87 C ATOM 404 O ARG A 26 4.599 -7.934 -0.678 1.00 2.24 O ATOM 405 CB ARG A 26 3.036 -10.798 -0.654 1.00 1.45 C ATOM 406 CG ARG A 26 3.107 -10.408 -2.123 1.00 2.13 C ATOM 407 CD ARG A 26 3.585 -11.567 -2.980 1.00 2.66 C ATOM 408 NE ARG A 26 4.973 -11.924 -2.674 1.00 3.26 N ATOM 409 CZ ARG A 26 5.459 -13.163 -2.739 1.00 4.00 C ATOM 410 NH1 ARG A 26 4.675 -14.170 -3.102 1.00 4.21 N ATOM 411 NH2 ARG A 26 6.733 -13.391 -2.440 1.00 4.86 N ATOM 0 H ARG A 26 2.174 -8.106 -0.673 1.00 1.14 H new ATOM 0 HA ARG A 26 3.206 -10.023 1.320 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.800 -11.548 -0.449 1.00 1.45 H new ATOM 0 HB3 ARG A 26 2.071 -11.265 -0.458 1.00 1.45 H new ATOM 0 HG2 ARG A 26 2.124 -10.083 -2.463 1.00 2.13 H new ATOM 0 HG3 ARG A 26 3.782 -9.561 -2.244 1.00 2.13 H new ATOM 0 HD2 ARG A 26 2.941 -12.431 -2.817 1.00 2.66 H new ATOM 0 HD3 ARG A 26 3.500 -11.301 -4.034 1.00 2.66 H new ATOM 0 HE ARG A 26 5.608 -11.176 -2.393 1.00 3.26 H new ATOM 0 HH11 ARG A 26 3.697 -13.997 -3.333 1.00 4.21 H new ATOM 0 HH12 ARG A 26 5.051 -15.117 -3.151 1.00 4.21 H new ATOM 0 HH21 ARG A 26 7.338 -12.618 -2.161 1.00 4.86 H new ATOM 0 HH22 ARG A 26 7.107 -14.339 -2.489 1.00 4.86 H new ATOM 425 N SER A 27 5.613 -9.486 0.589 1.00 2.10 N ATOM 426 CA SER A 27 6.941 -8.930 0.422 1.00 2.66 C ATOM 427 C SER A 27 7.702 -9.744 -0.613 1.00 2.39 C ATOM 428 O SER A 27 7.239 -10.812 -1.027 1.00 2.70 O ATOM 429 CB SER A 27 7.681 -8.927 1.766 1.00 3.73 C ATOM 430 OG SER A 27 8.929 -8.258 1.688 1.00 4.43 O ATOM 0 H SER A 27 5.579 -10.321 1.173 1.00 2.10 H new ATOM 0 HA SER A 27 6.866 -7.900 0.073 1.00 2.66 H new ATOM 0 HB2 SER A 27 7.059 -8.445 2.520 1.00 3.73 H new ATOM 0 HB3 SER A 27 7.841 -9.954 2.093 1.00 3.73 H new ATOM 0 HG SER A 27 9.435 -8.413 2.512 1.00 4.43 H new ATOM 436 N GLY A 28 8.838 -9.232 -1.053 1.00 2.45 N ATOM 437 CA GLY A 28 9.624 -9.926 -2.048 1.00 2.54 C ATOM 438 C GLY A 28 10.023 -11.319 -1.610 1.00 2.68 C ATOM 439 O GLY A 28 9.558 -12.314 -2.170 1.00 3.22 O ATOM 0 H GLY A 28 9.231 -8.345 -0.738 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.054 -9.990 -2.975 1.00 2.54 H new ATOM 0 HA3 GLY A 28 10.522 -9.347 -2.265 1.00 2.54 H new ATOM 443 N ASN A 29 10.874 -11.387 -0.605 1.00 2.60 N ATOM 444 CA ASN A 29 11.329 -12.665 -0.068 1.00 2.96 C ATOM 445 C ASN A 29 10.570 -13.002 1.213 1.00 2.76 C ATOM 446 O ASN A 29 10.676 -14.104 1.752 1.00 3.04 O ATOM 447 CB ASN A 29 12.844 -12.614 0.191 1.00 3.49 C ATOM 448 CG ASN A 29 13.394 -13.890 0.810 1.00 4.17 C ATOM 449 OD1 ASN A 29 13.534 -13.997 2.030 1.00 4.66 O ATOM 450 ND2 ASN A 29 13.706 -14.870 -0.023 1.00 4.63 N ATOM 0 H ASN A 29 11.269 -10.570 -0.138 1.00 2.60 H new ATOM 0 HA ASN A 29 11.128 -13.450 -0.797 1.00 2.96 H new ATOM 0 HB2 ASN A 29 13.360 -12.424 -0.750 1.00 3.49 H new ATOM 0 HB3 ASN A 29 13.064 -11.775 0.851 1.00 3.49 H new ATOM 0 HD21 ASN A 29 14.075 -15.749 0.339 1.00 4.63 H new ATOM 0 HD22 ASN A 29 13.577 -14.746 -1.027 1.00 4.63 H new ATOM 457 N THR A 30 9.765 -12.058 1.665 1.00 2.45 N ATOM 458 CA THR A 30 9.097 -12.172 2.949 1.00 2.33 C ATOM 459 C THR A 30 7.571 -12.160 2.771 1.00 2.07 C ATOM 460 O THR A 30 7.068 -11.791 1.713 1.00 2.10 O ATOM 461 CB THR A 30 9.541 -11.015 3.868 1.00 2.45 C ATOM 462 OG1 THR A 30 10.913 -10.686 3.595 1.00 2.93 O ATOM 463 CG2 THR A 30 9.406 -11.392 5.334 1.00 2.70 C ATOM 0 H THR A 30 9.557 -11.198 1.158 1.00 2.45 H new ATOM 0 HA THR A 30 9.375 -13.121 3.408 1.00 2.33 H new ATOM 0 HB THR A 30 8.897 -10.158 3.669 1.00 2.45 H new ATOM 0 HG1 THR A 30 11.195 -9.950 4.177 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.727 -10.556 5.956 1.00 2.70 H new ATOM 0 HG22 THR A 30 8.365 -11.630 5.554 1.00 2.70 H new ATOM 0 HG23 THR A 30 10.029 -12.261 5.545 1.00 2.70 H new ATOM 471 N ASN A 31 6.842 -12.606 3.783 1.00 1.97 N ATOM 472 CA ASN A 31 5.381 -12.563 3.751 1.00 1.75 C ATOM 473 C ASN A 31 4.883 -11.467 4.691 1.00 1.78 C ATOM 474 O ASN A 31 5.510 -11.192 5.717 1.00 2.34 O ATOM 475 CB ASN A 31 4.789 -13.924 4.151 1.00 2.09 C ATOM 476 CG ASN A 31 5.071 -14.305 5.595 1.00 2.43 C ATOM 477 OD1 ASN A 31 4.297 -13.982 6.498 1.00 2.89 O ATOM 478 ND2 ASN A 31 6.173 -15.005 5.823 1.00 2.98 N ATOM 0 H ASN A 31 7.234 -13.002 4.637 1.00 1.97 H new ATOM 0 HA ASN A 31 5.055 -12.340 2.735 1.00 1.75 H new ATOM 0 HB2 ASN A 31 3.711 -13.903 3.993 1.00 2.09 H new ATOM 0 HB3 ASN A 31 5.193 -14.695 3.494 1.00 2.09 H new ATOM 0 HD21 ASN A 31 6.405 -15.296 6.773 1.00 2.98 H new ATOM 0 HD22 ASN A 31 6.789 -15.253 5.049 1.00 2.98 H new ATOM 485 N VAL A 32 3.773 -10.828 4.331 1.00 1.39 N ATOM 486 CA VAL A 32 3.250 -9.715 5.120 1.00 1.52 C ATOM 487 C VAL A 32 2.005 -10.121 5.900 1.00 1.38 C ATOM 488 O VAL A 32 2.023 -10.150 7.130 1.00 2.10 O ATOM 489 CB VAL A 32 2.914 -8.487 4.248 1.00 2.13 C ATOM 490 CG1 VAL A 32 2.496 -7.305 5.114 1.00 2.68 C ATOM 491 CG2 VAL A 32 4.088 -8.113 3.357 1.00 2.64 C ATOM 0 H VAL A 32 3.222 -11.059 3.505 1.00 1.39 H new ATOM 0 HA VAL A 32 4.043 -9.443 5.816 1.00 1.52 H new ATOM 0 HB VAL A 32 2.074 -8.752 3.606 1.00 2.13 H new ATOM 0 HG11 VAL A 32 2.264 -6.451 4.477 1.00 2.68 H new ATOM 0 HG12 VAL A 32 1.614 -7.574 5.696 1.00 2.68 H new ATOM 0 HG13 VAL A 32 3.310 -7.043 5.790 1.00 2.68 H new ATOM 0 HG21 VAL A 32 3.824 -7.245 2.753 1.00 2.64 H new ATOM 0 HG22 VAL A 32 4.953 -7.875 3.976 1.00 2.64 H new ATOM 0 HG23 VAL A 32 4.329 -8.950 2.702 1.00 2.64 H new ATOM 501 N GLY A 33 0.920 -10.430 5.193 1.00 1.00 N ATOM 502 CA GLY A 33 -0.304 -10.784 5.857 1.00 1.43 C ATOM 503 C GLY A 33 -1.514 -10.280 5.111 1.00 0.99 C ATOM 504 O GLY A 33 -1.397 -9.701 4.025 1.00 1.13 O ATOM 0 H GLY A 33 0.876 -10.439 4.174 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.363 -11.868 5.955 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.302 -10.372 6.866 1.00 1.43 H new ATOM 508 N VAL A 34 -2.673 -10.513 5.691 1.00 0.80 N ATOM 509 CA VAL A 34 -3.939 -10.130 5.090 1.00 0.56 C ATOM 510 C VAL A 34 -4.858 -9.544 6.169 1.00 0.63 C ATOM 511 O VAL A 34 -5.403 -10.284 6.989 1.00 1.03 O ATOM 512 CB VAL A 34 -4.630 -11.348 4.449 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.861 -10.921 3.667 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.652 -12.095 3.559 1.00 1.06 C ATOM 0 H VAL A 34 -2.767 -10.975 6.596 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.744 -9.388 4.316 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.957 -12.020 5.242 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.332 -11.798 3.223 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.566 -10.430 4.338 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.569 -10.228 2.878 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.151 -12.954 3.111 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.296 -11.431 2.772 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.806 -12.437 4.155 1.00 1.06 H new ATOM 524 N GLN A 35 -5.015 -8.227 6.190 1.00 0.63 N ATOM 525 CA GLN A 35 -5.719 -7.558 7.257 1.00 0.85 C ATOM 526 C GLN A 35 -6.742 -6.559 6.708 1.00 0.70 C ATOM 527 O GLN A 35 -6.530 -5.986 5.651 1.00 0.82 O ATOM 528 CB GLN A 35 -4.678 -6.842 8.109 1.00 1.45 C ATOM 529 CG GLN A 35 -5.281 -5.952 9.153 1.00 2.06 C ATOM 530 CD GLN A 35 -4.272 -5.451 10.169 1.00 2.71 C ATOM 531 OE1 GLN A 35 -3.037 -5.241 9.734 1.00 3.16 O flip ATOM 532 NE2 GLN A 35 -4.604 -5.237 11.332 1.00 3.28 N flip ATOM 0 H GLN A 35 -4.657 -7.602 5.468 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.274 -8.284 7.851 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.043 -7.583 8.595 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.034 -6.247 7.461 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -5.750 -5.098 8.665 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -6.070 -6.496 9.672 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -5.564 -5.411 11.628 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -3.919 -4.885 12.001 1.00 3.28 H new ATOM 541 N TYR A 36 -7.852 -6.360 7.417 1.00 0.78 N ATOM 542 CA TYR A 36 -8.810 -5.321 7.037 1.00 0.73 C ATOM 543 C TYR A 36 -8.791 -4.172 8.038 1.00 0.78 C ATOM 544 O TYR A 36 -8.732 -4.395 9.251 1.00 1.06 O ATOM 545 CB TYR A 36 -10.224 -5.858 6.866 1.00 0.94 C ATOM 546 CG TYR A 36 -10.743 -6.618 8.036 1.00 1.62 C ATOM 547 CD1 TYR A 36 -10.241 -7.859 8.312 1.00 2.09 C ATOM 548 CD2 TYR A 36 -11.742 -6.104 8.835 1.00 2.13 C ATOM 549 CE1 TYR A 36 -10.719 -8.601 9.370 1.00 3.04 C ATOM 550 CE2 TYR A 36 -12.233 -6.820 9.899 1.00 3.13 C ATOM 551 CZ TYR A 36 -11.719 -8.077 10.166 1.00 3.57 C ATOM 552 OH TYR A 36 -12.206 -8.809 11.225 1.00 4.60 O ATOM 0 H TYR A 36 -8.109 -6.896 8.246 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.493 -4.947 6.063 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.894 -5.022 6.666 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.250 -6.505 5.989 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.457 -8.265 7.690 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -12.144 -5.125 8.621 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -10.316 -9.582 9.575 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -13.013 -6.406 10.521 1.00 3.13 H new ATOM 0 HH TYR A 36 -12.904 -8.297 11.683 1.00 4.60 H new ATOM 562 N LEU A 37 -8.835 -2.949 7.532 1.00 0.72 N ATOM 563 CA LEU A 37 -8.734 -1.769 8.381 1.00 0.89 C ATOM 564 C LEU A 37 -9.994 -0.912 8.300 1.00 0.70 C ATOM 565 O LEU A 37 -10.803 -1.061 7.387 1.00 0.61 O ATOM 566 CB LEU A 37 -7.518 -0.935 7.976 1.00 1.23 C ATOM 567 CG LEU A 37 -7.309 0.341 8.796 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.036 0.017 10.259 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.190 1.170 8.205 1.00 2.57 C ATOM 0 H LEU A 37 -8.940 -2.746 6.538 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.620 -2.109 9.410 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.626 -1.555 8.062 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.616 -0.662 6.925 1.00 1.23 H new ATOM 0 HG LEU A 37 -8.228 0.926 8.756 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.892 0.943 10.816 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.883 -0.529 10.675 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -6.138 -0.596 10.334 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.054 2.074 8.799 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -5.267 0.591 8.209 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -6.442 1.444 7.181 1.00 2.57 H new ATOM 581 N ASN A 38 -10.138 -0.018 9.276 1.00 0.78 N ATOM 582 CA ASN A 38 -11.263 0.902 9.352 1.00 0.73 C ATOM 583 C ASN A 38 -10.863 2.286 8.840 1.00 0.68 C ATOM 584 O ASN A 38 -9.682 2.596 8.695 1.00 0.75 O ATOM 585 CB ASN A 38 -11.761 1.013 10.798 1.00 0.94 C ATOM 586 CG ASN A 38 -12.365 -0.278 11.328 1.00 1.62 C ATOM 587 OD1 ASN A 38 -11.996 -1.376 10.912 1.00 2.32 O ATOM 588 ND2 ASN A 38 -13.298 -0.158 12.259 1.00 2.29 N ATOM 0 H ASN A 38 -9.471 0.086 10.040 1.00 0.78 H new ATOM 0 HA ASN A 38 -12.064 0.512 8.724 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.930 1.307 11.439 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.506 1.806 10.858 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -13.734 -0.991 12.654 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -13.581 0.767 12.581 1.00 2.29 H new ATOM 595 N PHE A 39 -11.878 3.112 8.607 1.00 0.68 N ATOM 596 CA PHE A 39 -11.743 4.430 7.970 1.00 0.72 C ATOM 597 C PHE A 39 -10.917 5.419 8.784 1.00 0.83 C ATOM 598 O PHE A 39 -10.407 6.408 8.255 1.00 1.66 O ATOM 599 CB PHE A 39 -13.151 4.967 7.716 1.00 0.85 C ATOM 600 CG PHE A 39 -13.325 6.440 7.926 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.914 7.337 6.956 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.878 6.926 9.094 1.00 1.43 C ATOM 603 CE1 PHE A 39 -13.051 8.697 7.148 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.023 8.287 9.292 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.690 9.164 8.311 1.00 2.03 C ATOM 0 H PHE A 39 -12.840 2.885 8.859 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.194 4.309 7.036 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.433 4.728 6.691 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.846 4.440 8.369 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.481 6.969 6.038 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.200 6.237 9.860 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.672 9.394 6.415 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.404 8.655 10.233 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.914 10.215 8.423 1.00 2.03 H new ATOM 615 N LYS A 40 -10.772 5.128 10.049 1.00 0.86 N ATOM 616 CA LYS A 40 -10.195 6.076 10.996 1.00 0.97 C ATOM 617 C LYS A 40 -8.700 6.314 10.787 1.00 0.72 C ATOM 618 O LYS A 40 -8.250 7.462 10.790 1.00 1.17 O ATOM 619 CB LYS A 40 -10.446 5.610 12.423 1.00 1.52 C ATOM 620 CG LYS A 40 -11.920 5.452 12.764 1.00 2.18 C ATOM 621 CD LYS A 40 -12.699 6.743 12.548 1.00 2.89 C ATOM 622 CE LYS A 40 -12.166 7.880 13.407 1.00 3.36 C ATOM 623 NZ LYS A 40 -12.963 9.124 13.242 1.00 3.76 N ATOM 0 H LYS A 40 -11.045 4.236 10.462 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.693 7.029 10.815 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -9.942 4.656 12.578 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -9.997 6.324 13.113 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -12.351 4.662 12.150 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -12.020 5.138 13.803 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -12.646 7.027 11.497 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -13.751 6.575 12.780 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -12.177 7.579 14.454 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -11.127 8.077 13.143 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -12.566 9.873 13.845 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -12.932 9.427 12.248 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -13.949 8.944 13.518 1.00 3.76 H new ATOM 637 N GLY A 41 -7.926 5.252 10.604 1.00 0.71 N ATOM 638 CA GLY A 41 -6.485 5.414 10.603 1.00 1.13 C ATOM 639 C GLY A 41 -5.771 4.635 9.516 1.00 0.94 C ATOM 640 O GLY A 41 -6.346 4.323 8.475 1.00 1.09 O ATOM 0 H GLY A 41 -8.261 4.300 10.459 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.250 6.472 10.489 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -6.095 5.103 11.572 1.00 1.13 H new ATOM 644 N THR A 42 -4.505 4.342 9.774 1.00 0.82 N ATOM 645 CA THR A 42 -3.654 3.608 8.846 1.00 0.68 C ATOM 646 C THR A 42 -3.133 2.326 9.498 1.00 0.65 C ATOM 647 O THR A 42 -3.271 2.127 10.707 1.00 0.75 O ATOM 648 CB THR A 42 -2.448 4.467 8.410 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.000 5.272 9.509 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.791 5.359 7.231 1.00 0.71 C ATOM 0 H THR A 42 -4.035 4.608 10.639 1.00 0.82 H new ATOM 0 HA THR A 42 -4.256 3.359 7.972 1.00 0.68 H new ATOM 0 HB THR A 42 -1.653 3.789 8.099 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.343 5.925 9.190 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.917 5.948 6.954 1.00 0.71 H new ATOM 0 HG22 THR A 42 -3.096 4.743 6.385 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.607 6.028 7.506 1.00 0.71 H new ATOM 658 N ARG A 43 -2.543 1.465 8.688 1.00 0.58 N ATOM 659 CA ARG A 43 -1.872 0.266 9.165 1.00 0.58 C ATOM 660 C ARG A 43 -0.550 0.192 8.459 1.00 0.52 C ATOM 661 O ARG A 43 -0.498 -0.050 7.256 1.00 0.50 O ATOM 662 CB ARG A 43 -2.679 -0.996 8.883 1.00 0.67 C ATOM 663 CG ARG A 43 -3.883 -1.183 9.788 1.00 0.86 C ATOM 664 CD ARG A 43 -3.489 -1.306 11.253 1.00 1.27 C ATOM 665 NE ARG A 43 -2.539 -2.392 11.488 1.00 1.59 N ATOM 666 CZ ARG A 43 -2.400 -3.019 12.656 1.00 2.26 C ATOM 667 NH1 ARG A 43 -3.189 -2.714 13.678 1.00 2.74 N ATOM 668 NH2 ARG A 43 -1.480 -3.965 12.795 1.00 3.01 N ATOM 0 H ARG A 43 -2.515 1.578 7.675 1.00 0.58 H new ATOM 0 HA ARG A 43 -1.751 0.324 10.247 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.018 -0.973 7.847 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.025 -1.862 8.985 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -4.561 -0.339 9.666 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -4.428 -2.077 9.484 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -3.051 -0.366 11.588 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -4.383 -1.473 11.854 1.00 1.27 H new ATOM 0 HE ARG A 43 -1.947 -2.688 10.712 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -3.906 -1.997 13.572 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -3.078 -3.197 14.570 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -0.880 -4.212 12.008 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -1.373 -4.445 13.689 1.00 3.01 H new ATOM 682 N ILE A 44 0.516 0.433 9.181 1.00 0.52 N ATOM 683 CA ILE A 44 1.773 0.680 8.529 1.00 0.51 C ATOM 684 C ILE A 44 2.690 -0.516 8.545 1.00 0.58 C ATOM 685 O ILE A 44 3.136 -0.998 9.588 1.00 0.66 O ATOM 686 CB ILE A 44 2.486 1.919 9.083 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.596 3.138 8.865 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.809 2.120 8.371 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.595 3.391 9.973 1.00 0.61 C ATOM 0 H ILE A 44 0.538 0.463 10.200 1.00 0.52 H new ATOM 0 HA ILE A 44 1.522 0.878 7.487 1.00 0.51 H new ATOM 0 HB ILE A 44 2.678 1.784 10.147 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.228 4.019 8.756 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.056 3.015 7.926 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.307 3.003 8.772 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.441 1.245 8.524 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.631 2.257 7.304 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.005 4.276 9.735 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.066 2.530 10.070 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.124 3.550 10.912 1.00 0.61 H new ATOM 701 N ILE A 45 2.941 -0.968 7.343 1.00 0.61 N ATOM 702 CA ILE A 45 3.843 -2.051 7.059 1.00 0.74 C ATOM 703 C ILE A 45 5.270 -1.573 7.148 1.00 0.77 C ATOM 704 O ILE A 45 5.525 -0.372 7.081 1.00 0.79 O ATOM 705 CB ILE A 45 3.584 -2.554 5.664 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.176 -3.011 5.570 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.512 -3.678 5.257 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.774 -3.208 4.154 1.00 1.20 C ATOM 0 H ILE A 45 2.507 -0.577 6.507 1.00 0.61 H new ATOM 0 HA ILE A 45 3.684 -2.848 7.785 1.00 0.74 H new ATOM 0 HB ILE A 45 3.773 -1.728 4.979 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.056 -3.945 6.119 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.520 -2.278 6.039 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.275 -3.996 4.242 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.544 -3.330 5.296 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.387 -4.519 5.940 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.738 -3.543 4.113 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.873 -2.267 3.613 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.416 -3.959 3.695 1.00 1.20 H new ATOM 720 N LYS A 46 6.195 -2.488 7.300 1.00 0.90 N ATOM 721 CA LYS A 46 7.592 -2.128 7.234 1.00 0.97 C ATOM 722 C LYS A 46 8.468 -3.340 6.953 1.00 1.10 C ATOM 723 O LYS A 46 8.238 -4.428 7.484 1.00 1.20 O ATOM 724 CB LYS A 46 8.033 -1.433 8.525 1.00 1.10 C ATOM 725 CG LYS A 46 7.926 -2.299 9.770 1.00 1.35 C ATOM 726 CD LYS A 46 8.191 -1.496 11.038 1.00 1.85 C ATOM 727 CE LYS A 46 6.936 -0.792 11.550 1.00 2.11 C ATOM 728 NZ LYS A 46 6.393 0.209 10.590 1.00 2.65 N ATOM 0 H LYS A 46 6.011 -3.477 7.468 1.00 0.90 H new ATOM 0 HA LYS A 46 7.714 -1.431 6.405 1.00 0.97 H new ATOM 0 HB2 LYS A 46 9.066 -1.105 8.412 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.428 -0.537 8.667 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.932 -2.742 9.821 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.639 -3.121 9.704 1.00 1.35 H new ATOM 0 HD2 LYS A 46 8.574 -2.160 11.813 1.00 1.85 H new ATOM 0 HD3 LYS A 46 8.966 -0.755 10.841 1.00 1.85 H new ATOM 0 HE2 LYS A 46 6.169 -1.537 11.760 1.00 2.11 H new ATOM 0 HE3 LYS A 46 7.165 -0.295 12.493 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 5.687 0.803 11.070 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 7.167 0.808 10.238 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 5.945 -0.284 9.791 1.00 2.65 H new ATOM 742 N PHE A 47 9.483 -3.129 6.132 1.00 1.20 N ATOM 743 CA PHE A 47 10.384 -4.187 5.712 1.00 1.41 C ATOM 744 C PHE A 47 11.746 -3.583 5.458 1.00 1.59 C ATOM 745 O PHE A 47 11.921 -2.743 4.575 1.00 1.68 O ATOM 746 CB PHE A 47 9.875 -4.927 4.469 1.00 1.50 C ATOM 747 CG PHE A 47 8.794 -5.929 4.771 1.00 1.87 C ATOM 748 CD1 PHE A 47 7.456 -5.566 4.725 1.00 2.53 C ATOM 749 CD2 PHE A 47 9.114 -7.238 5.079 1.00 2.17 C ATOM 750 CE1 PHE A 47 6.465 -6.490 4.978 1.00 3.14 C ATOM 751 CE2 PHE A 47 8.125 -8.164 5.336 1.00 2.69 C ATOM 752 CZ PHE A 47 6.803 -7.767 5.373 1.00 3.10 C ATOM 0 H PHE A 47 9.705 -2.215 5.737 1.00 1.20 H new ATOM 0 HA PHE A 47 10.443 -4.931 6.506 1.00 1.41 H new ATOM 0 HB2 PHE A 47 9.495 -4.199 3.752 1.00 1.50 H new ATOM 0 HB3 PHE A 47 10.711 -5.438 3.992 1.00 1.50 H new ATOM 0 HD1 PHE A 47 7.188 -4.547 4.488 1.00 2.53 H new ATOM 0 HD2 PHE A 47 10.150 -7.539 5.119 1.00 2.17 H new ATOM 0 HE1 PHE A 47 5.427 -6.214 4.867 1.00 3.14 H new ATOM 0 HE2 PHE A 47 8.384 -9.198 5.508 1.00 2.69 H new ATOM 0 HZ PHE A 47 6.039 -8.452 5.709 1.00 3.10 H new ATOM 762 N LYS A 48 12.694 -4.009 6.255 1.00 1.83 N ATOM 763 CA LYS A 48 13.989 -3.376 6.321 1.00 2.13 C ATOM 764 C LYS A 48 15.089 -4.416 6.182 1.00 2.50 C ATOM 765 O LYS A 48 16.272 -4.141 6.378 1.00 3.01 O ATOM 766 CB LYS A 48 14.061 -2.628 7.641 1.00 2.46 C ATOM 767 CG LYS A 48 13.879 -3.530 8.857 1.00 3.10 C ATOM 768 CD LYS A 48 13.775 -2.735 10.149 1.00 3.81 C ATOM 769 CE LYS A 48 15.098 -2.090 10.520 1.00 4.36 C ATOM 770 NZ LYS A 48 14.989 -1.261 11.750 1.00 4.90 N ATOM 0 H LYS A 48 12.589 -4.809 6.880 1.00 1.83 H new ATOM 0 HA LYS A 48 14.131 -2.671 5.502 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.025 -2.124 7.713 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.294 -1.854 7.654 1.00 2.46 H new ATOM 0 HG2 LYS A 48 12.980 -4.133 8.729 1.00 3.10 H new ATOM 0 HG3 LYS A 48 14.719 -4.221 8.924 1.00 3.10 H new ATOM 0 HD2 LYS A 48 13.012 -1.964 10.041 1.00 3.81 H new ATOM 0 HD3 LYS A 48 13.452 -3.393 10.956 1.00 3.81 H new ATOM 0 HE2 LYS A 48 15.849 -2.865 10.671 1.00 4.36 H new ATOM 0 HE3 LYS A 48 15.443 -1.469 9.693 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 15.914 -0.839 11.968 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 14.291 -0.505 11.598 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 14.685 -1.858 12.545 1.00 4.90 H new ATOM 879 N ARG A 56 9.462 -6.827 -4.156 1.00 3.37 N ATOM 880 CA ARG A 56 8.911 -5.843 -3.234 1.00 2.70 C ATOM 881 C ARG A 56 7.482 -6.158 -2.777 1.00 2.24 C ATOM 882 O ARG A 56 7.069 -7.319 -2.710 1.00 2.47 O ATOM 883 CB ARG A 56 9.017 -4.440 -3.842 1.00 3.43 C ATOM 884 CG ARG A 56 8.054 -4.156 -4.988 1.00 4.15 C ATOM 885 CD ARG A 56 8.739 -4.250 -6.340 1.00 4.75 C ATOM 886 NE ARG A 56 7.832 -3.924 -7.439 1.00 5.53 N ATOM 887 CZ ARG A 56 8.229 -3.714 -8.693 1.00 6.18 C ATOM 888 NH1 ARG A 56 9.521 -3.736 -8.999 1.00 6.21 N ATOM 889 NH2 ARG A 56 7.335 -3.457 -9.638 1.00 7.08 N ATOM 0 HA ARG A 56 9.513 -5.886 -2.326 1.00 2.70 H new ATOM 0 HB2 ARG A 56 8.846 -3.706 -3.054 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.036 -4.292 -4.200 1.00 3.43 H new ATOM 0 HG2 ARG A 56 7.226 -4.864 -4.950 1.00 4.15 H new ATOM 0 HG3 ARG A 56 7.628 -3.160 -4.866 1.00 4.15 H new ATOM 0 HD2 ARG A 56 9.592 -3.572 -6.362 1.00 4.75 H new ATOM 0 HD3 ARG A 56 9.129 -5.258 -6.479 1.00 4.75 H new ATOM 0 HE ARG A 56 6.835 -3.853 -7.233 1.00 5.53 H new ATOM 0 HH11 ARG A 56 10.214 -3.914 -8.272 1.00 6.21 H new ATOM 0 HH12 ARG A 56 9.820 -3.575 -9.961 1.00 6.21 H new ATOM 0 HH21 ARG A 56 6.343 -3.420 -9.405 1.00 7.08 H new ATOM 0 HH22 ARG A 56 7.640 -3.296 -10.598 1.00 7.08 H new ATOM 903 N TRP A 57 6.744 -5.115 -2.442 1.00 1.83 N ATOM 904 CA TRP A 57 5.478 -5.263 -1.761 1.00 1.49 C ATOM 905 C TRP A 57 4.334 -4.778 -2.630 1.00 1.19 C ATOM 906 O TRP A 57 4.483 -3.829 -3.404 1.00 1.43 O ATOM 907 CB TRP A 57 5.538 -4.479 -0.449 1.00 1.69 C ATOM 908 CG TRP A 57 6.845 -4.673 0.248 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.168 -5.673 1.104 1.00 1.56 C ATOM 910 CD2 TRP A 57 8.018 -3.859 0.120 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.474 -5.547 1.500 1.00 1.85 N ATOM 912 CE2 TRP A 57 9.013 -4.435 0.922 1.00 2.70 C ATOM 913 CE3 TRP A 57 8.321 -2.703 -0.596 1.00 3.91 C ATOM 914 CZ2 TRP A 57 10.292 -3.898 1.029 1.00 3.65 C ATOM 915 CZ3 TRP A 57 9.589 -2.167 -0.491 1.00 4.90 C ATOM 916 CH2 TRP A 57 10.561 -2.763 0.318 1.00 4.75 C ATOM 0 H TRP A 57 7.006 -4.148 -2.635 1.00 1.83 H new ATOM 0 HA TRP A 57 5.297 -6.317 -1.551 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.386 -3.419 -0.651 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.726 -4.798 0.204 1.00 1.69 H new ATOM 0 HD1 TRP A 57 6.495 -6.454 1.426 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.965 -6.184 2.127 1.00 1.85 H new ATOM 0 HE3 TRP A 57 7.577 -2.234 -1.223 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 11.044 -4.361 1.651 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 9.834 -1.272 -1.043 1.00 4.90 H new ATOM 0 HH2 TRP A 57 11.543 -2.318 0.382 1.00 4.75 H new ATOM 927 N ASN A 58 3.207 -5.456 -2.522 1.00 0.91 N ATOM 928 CA ASN A 58 1.995 -5.059 -3.219 1.00 0.71 C ATOM 929 C ASN A 58 0.776 -5.505 -2.425 1.00 0.59 C ATOM 930 O ASN A 58 0.698 -6.659 -1.997 1.00 0.71 O ATOM 931 CB ASN A 58 1.964 -5.634 -4.645 1.00 0.74 C ATOM 932 CG ASN A 58 2.098 -7.146 -4.686 1.00 1.23 C ATOM 933 OD1 ASN A 58 3.207 -7.684 -4.702 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.973 -7.841 -4.720 1.00 1.91 N ATOM 0 H ASN A 58 3.104 -6.295 -1.951 1.00 0.91 H new ATOM 0 HA ASN A 58 1.980 -3.972 -3.305 1.00 0.71 H new ATOM 0 HB2 ASN A 58 1.029 -5.346 -5.125 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.771 -5.189 -5.226 1.00 0.74 H new ATOM 0 HD21 ASN A 58 1.004 -8.860 -4.761 1.00 1.91 H new ATOM 0 HD22 ASN A 58 0.075 -7.358 -4.705 1.00 1.91 H new ATOM 941 N CYS A 59 -0.159 -4.591 -2.203 1.00 0.55 N ATOM 942 CA CYS A 59 -1.346 -4.898 -1.415 1.00 0.50 C ATOM 943 C CYS A 59 -2.520 -5.197 -2.337 1.00 0.44 C ATOM 944 O CYS A 59 -2.623 -4.638 -3.431 1.00 0.56 O ATOM 945 CB CYS A 59 -1.712 -3.740 -0.465 1.00 0.60 C ATOM 946 SG CYS A 59 -0.712 -3.626 1.059 1.00 0.76 S ATOM 0 H CYS A 59 -0.120 -3.635 -2.556 1.00 0.55 H new ATOM 0 HA CYS A 59 -1.124 -5.775 -0.807 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.618 -2.802 -1.011 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.760 -3.841 -0.184 1.00 0.60 H new ATOM 951 N LEU A 60 -3.401 -6.076 -1.891 1.00 0.36 N ATOM 952 CA LEU A 60 -4.571 -6.431 -2.650 1.00 0.34 C ATOM 953 C LEU A 60 -5.768 -6.038 -1.829 1.00 0.29 C ATOM 954 O LEU A 60 -5.931 -6.515 -0.711 1.00 0.32 O ATOM 955 CB LEU A 60 -4.608 -7.934 -2.938 1.00 0.44 C ATOM 956 CG LEU A 60 -3.362 -8.514 -3.609 1.00 1.27 C ATOM 957 CD1 LEU A 60 -3.522 -10.011 -3.818 1.00 1.90 C ATOM 958 CD2 LEU A 60 -3.090 -7.820 -4.933 1.00 1.85 C ATOM 0 H LEU A 60 -3.319 -6.558 -0.996 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.563 -5.917 -3.611 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.770 -8.461 -1.998 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.469 -8.142 -3.573 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.509 -8.343 -2.953 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -2.627 -10.409 -4.296 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -3.666 -10.500 -2.854 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.387 -10.199 -4.453 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -2.199 -8.249 -5.392 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.943 -7.957 -5.598 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -2.932 -6.755 -4.760 1.00 1.85 H new ATOM 970 N PHE A 61 -6.592 -5.176 -2.362 1.00 0.29 N ATOM 971 CA PHE A 61 -7.688 -4.637 -1.594 1.00 0.28 C ATOM 972 C PHE A 61 -8.966 -5.377 -1.928 1.00 0.37 C ATOM 973 O PHE A 61 -9.417 -5.328 -3.059 1.00 0.48 O ATOM 974 CB PHE A 61 -7.878 -3.153 -1.924 1.00 0.32 C ATOM 975 CG PHE A 61 -6.902 -2.217 -1.285 1.00 0.30 C ATOM 976 CD1 PHE A 61 -6.262 -2.616 -0.141 1.00 0.59 C ATOM 977 CD2 PHE A 61 -6.603 -0.971 -1.816 1.00 0.54 C ATOM 978 CE1 PHE A 61 -5.352 -1.816 0.480 1.00 0.63 C ATOM 979 CE2 PHE A 61 -5.690 -0.148 -1.191 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.131 -0.404 -0.171 1.00 0.37 C ATOM 0 H PHE A 61 -6.528 -4.832 -3.320 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.460 -4.753 -0.534 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.817 -3.029 -3.005 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.884 -2.859 -1.625 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -6.484 -3.587 0.277 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -7.088 -0.644 -2.724 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -4.817 -2.132 1.363 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -5.465 0.798 -1.661 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.484 0.322 0.298 1.00 0.37 H new ATOM 990 N ARG A 62 -9.557 -6.042 -0.948 1.00 0.47 N ATOM 991 CA ARG A 62 -10.766 -6.816 -1.191 1.00 0.66 C ATOM 992 C ARG A 62 -11.738 -6.685 -0.022 1.00 0.89 C ATOM 993 O ARG A 62 -11.330 -6.406 1.107 1.00 1.05 O ATOM 994 CB ARG A 62 -10.408 -8.290 -1.409 1.00 0.84 C ATOM 995 CG ARG A 62 -11.555 -9.130 -1.951 1.00 1.49 C ATOM 996 CD ARG A 62 -11.110 -10.552 -2.239 1.00 1.88 C ATOM 997 NE ARG A 62 -12.182 -11.359 -2.824 1.00 2.29 N ATOM 998 CZ ARG A 62 -11.984 -12.536 -3.419 1.00 2.86 C ATOM 999 NH1 ARG A 62 -10.758 -13.031 -3.522 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -13.011 -13.217 -3.915 1.00 3.63 N ATOM 0 H ARG A 62 -9.224 -6.062 0.016 1.00 0.47 H new ATOM 0 HA ARG A 62 -11.250 -6.426 -2.087 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.568 -8.351 -2.101 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -10.074 -8.716 -0.463 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -12.372 -9.142 -1.230 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -11.941 -8.676 -2.863 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -10.259 -10.534 -2.919 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -10.769 -11.019 -1.315 1.00 1.88 H new ATOM 0 HE ARG A 62 -13.136 -11.000 -2.774 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -9.965 -12.511 -3.146 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -10.608 -13.931 -3.977 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -13.956 -12.840 -3.842 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -12.855 -14.117 -4.369 1.00 3.63 H new ATOM 1014 N GLN A 63 -13.021 -6.870 -0.302 1.00 1.13 N ATOM 1015 CA GLN A 63 -14.049 -6.858 0.728 1.00 1.48 C ATOM 1016 C GLN A 63 -15.234 -7.706 0.273 1.00 2.09 C ATOM 1017 O GLN A 63 -15.465 -7.858 -0.929 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.506 -5.421 1.004 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.483 -5.297 2.166 1.00 2.15 C ATOM 1020 CD GLN A 63 -16.010 -3.886 2.345 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -16.134 -3.127 1.383 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -16.327 -3.524 3.578 1.00 3.03 N ATOM 0 H GLN A 63 -13.376 -7.032 -1.244 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.639 -7.274 1.648 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.631 -4.805 1.211 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.973 -5.020 0.105 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -16.321 -5.975 2.004 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -14.990 -5.615 3.085 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -16.210 -4.182 4.349 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -16.688 -2.587 3.758 1.00 3.03 H new ATOM 1031 N GLY A 64 -15.954 -8.288 1.231 1.00 2.55 N ATOM 1032 CA GLY A 64 -17.193 -8.975 0.916 1.00 3.28 C ATOM 1033 C GLY A 64 -18.200 -7.994 0.372 1.00 3.41 C ATOM 1034 O GLY A 64 -18.555 -7.029 1.051 1.00 3.88 O ATOM 0 H GLY A 64 -15.700 -8.295 2.219 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -17.007 -9.762 0.185 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -17.589 -9.458 1.810 1.00 3.28 H new ATOM 1038 N ILE A 65 -18.658 -8.221 -0.845 1.00 3.49 N ATOM 1039 CA ILE A 65 -19.331 -7.169 -1.577 1.00 3.94 C ATOM 1040 C ILE A 65 -20.355 -7.713 -2.583 1.00 4.01 C ATOM 1041 O ILE A 65 -20.512 -8.928 -2.730 1.00 4.32 O ATOM 1042 CB ILE A 65 -18.267 -6.318 -2.301 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -18.858 -5.038 -2.900 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -17.618 -7.173 -3.361 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -19.432 -4.091 -1.869 1.00 5.57 C ATOM 0 H ILE A 65 -18.578 -9.110 -1.339 1.00 3.49 H new ATOM 0 HA ILE A 65 -19.891 -6.561 -0.866 1.00 3.94 H new ATOM 0 HB ILE A 65 -17.520 -5.991 -1.578 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -18.082 -4.520 -3.464 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -19.641 -5.307 -3.609 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -16.861 -6.590 -3.886 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -17.149 -8.039 -2.893 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -18.374 -7.509 -4.071 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -19.832 -3.208 -2.368 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -20.231 -4.591 -1.321 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -18.648 -3.791 -1.174 1.00 5.57 H new ATOM 1057 N ASN A 66 -21.081 -6.782 -3.205 1.00 4.06 N ATOM 1058 CA ASN A 66 -21.894 -7.008 -4.407 1.00 4.27 C ATOM 1059 C ASN A 66 -21.042 -7.593 -5.544 1.00 4.09 C ATOM 1060 O ASN A 66 -20.158 -8.413 -5.293 1.00 4.26 O ATOM 1061 CB ASN A 66 -22.534 -5.683 -4.846 1.00 4.76 C ATOM 1062 CG ASN A 66 -23.557 -5.158 -3.855 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -23.467 -5.406 -2.651 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -24.536 -4.421 -4.353 1.00 6.08 N ATOM 0 H ASN A 66 -21.122 -5.817 -2.877 1.00 4.06 H new ATOM 0 HA ASN A 66 -22.677 -7.729 -4.172 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -21.752 -4.936 -4.981 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -23.014 -5.822 -5.815 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -25.250 -4.036 -3.735 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -24.577 -4.237 -5.356 1.00 6.08 H new ATOM 1071 N MET A 67 -21.358 -7.215 -6.798 1.00 4.09 N ATOM 1072 CA MET A 67 -20.645 -7.721 -7.987 1.00 4.13 C ATOM 1073 C MET A 67 -19.159 -7.910 -7.697 1.00 3.60 C ATOM 1074 O MET A 67 -18.629 -8.992 -7.925 1.00 3.77 O ATOM 1075 CB MET A 67 -20.794 -6.752 -9.164 1.00 4.54 C ATOM 1076 CG MET A 67 -22.229 -6.462 -9.564 1.00 5.19 C ATOM 1077 SD MET A 67 -22.335 -5.265 -10.910 1.00 6.00 S ATOM 1078 CE MET A 67 -24.108 -5.068 -11.048 1.00 6.30 C ATOM 0 H MET A 67 -22.107 -6.557 -7.014 1.00 4.09 H new ATOM 0 HA MET A 67 -21.089 -8.683 -8.244 1.00 4.13 H new ATOM 0 HB2 MET A 67 -20.305 -5.812 -8.908 1.00 4.54 H new ATOM 0 HB3 MET A 67 -20.266 -7.162 -10.025 1.00 4.54 H new ATOM 0 HG2 MET A 67 -22.714 -7.390 -9.867 1.00 5.19 H new ATOM 0 HG3 MET A 67 -22.775 -6.084 -8.700 1.00 5.19 H new ATOM 0 HE1 MET A 67 -24.334 -4.356 -11.841 1.00 6.30 H new ATOM 0 HE2 MET A 67 -24.564 -6.030 -11.283 1.00 6.30 H new ATOM 0 HE3 MET A 67 -24.508 -4.698 -10.104 1.00 6.30 H new ATOM 1088 N LYS A 68 -18.522 -6.847 -7.184 1.00 3.30 N ATOM 1089 CA LYS A 68 -17.202 -6.914 -6.544 1.00 3.12 C ATOM 1090 C LYS A 68 -16.782 -5.549 -6.018 1.00 2.78 C ATOM 1091 O LYS A 68 -17.483 -4.551 -6.191 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.072 -7.395 -7.438 1.00 3.71 C ATOM 1093 CG LYS A 68 -15.882 -8.905 -7.544 1.00 4.30 C ATOM 1094 CD LYS A 68 -15.593 -9.550 -6.194 1.00 4.85 C ATOM 1095 CE LYS A 68 -16.828 -10.229 -5.619 1.00 5.37 C ATOM 1096 NZ LYS A 68 -17.389 -11.234 -6.558 1.00 5.81 N ATOM 0 H LYS A 68 -18.915 -5.906 -7.203 1.00 3.30 H new ATOM 0 HA LYS A 68 -17.344 -7.647 -5.749 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.239 -7.001 -8.441 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -15.141 -6.959 -7.075 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -16.779 -9.352 -7.973 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -15.061 -9.118 -8.229 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -14.793 -10.282 -6.304 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -15.237 -8.791 -5.497 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -16.571 -10.714 -4.677 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -17.585 -9.478 -5.395 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -17.894 -11.967 -6.021 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -18.049 -10.767 -7.212 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -16.617 -11.672 -7.100 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.621 -5.546 -5.376 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.964 -4.349 -4.877 1.00 2.44 C ATOM 1112 C PHE A 69 -13.552 -4.754 -4.455 1.00 2.04 C ATOM 1113 O PHE A 69 -13.359 -5.419 -3.436 1.00 2.83 O ATOM 1114 CB PHE A 69 -15.742 -3.743 -3.702 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.113 -2.518 -3.106 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -15.193 -1.299 -3.756 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -14.455 -2.581 -1.889 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -14.629 -0.167 -3.204 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -13.887 -1.450 -1.336 1.00 5.20 C ATOM 1120 CZ PHE A 69 -13.974 -0.242 -1.993 1.00 6.01 C ATOM 0 H PHE A 69 -15.098 -6.400 -5.184 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.925 -3.582 -5.650 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -16.748 -3.492 -4.039 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -15.846 -4.498 -2.923 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -15.703 -1.233 -4.706 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -14.385 -3.524 -1.367 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -14.701 0.779 -3.721 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -13.374 -1.513 -0.388 1.00 5.20 H new ATOM 0 HZ PHE A 69 -13.531 0.643 -1.561 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.585 -4.385 -5.271 1.00 1.22 N ATOM 1131 CA PHE A 70 -11.248 -4.928 -5.200 1.00 0.92 C ATOM 1132 C PHE A 70 -10.259 -3.888 -5.722 1.00 0.79 C ATOM 1133 O PHE A 70 -10.673 -2.817 -6.128 1.00 1.19 O ATOM 1134 CB PHE A 70 -11.216 -6.177 -6.078 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.954 -6.938 -5.957 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -9.603 -7.571 -4.784 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.137 -7.042 -7.042 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.443 -8.300 -4.709 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -7.986 -7.756 -6.989 1.00 3.59 C ATOM 1140 CZ PHE A 70 -7.584 -8.307 -5.648 1.00 3.63 C ATOM 0 H PHE A 70 -12.709 -3.692 -6.009 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.976 -5.181 -4.175 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -12.051 -6.824 -5.810 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -11.360 -5.886 -7.119 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -10.245 -7.493 -3.919 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -9.411 -6.546 -7.962 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -8.252 -8.888 -3.823 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -7.384 -7.922 -7.870 1.00 3.59 H new ATOM 0 HZ PHE A 70 -6.591 -8.699 -5.486 1.00 3.63 H new ATOM 1150 N THR A 71 -8.970 -4.184 -5.653 1.00 0.58 N ATOM 1151 CA THR A 71 -7.962 -3.502 -6.460 1.00 0.49 C ATOM 1152 C THR A 71 -6.576 -3.873 -5.997 1.00 0.40 C ATOM 1153 O THR A 71 -6.328 -4.121 -4.818 1.00 0.49 O ATOM 1154 CB THR A 71 -8.133 -1.962 -6.539 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.726 -1.493 -7.834 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.334 -1.225 -5.482 1.00 0.48 C ATOM 0 H THR A 71 -8.590 -4.903 -5.037 1.00 0.58 H new ATOM 0 HA THR A 71 -8.112 -3.855 -7.480 1.00 0.49 H new ATOM 0 HB THR A 71 -9.189 -1.756 -6.363 1.00 0.56 H new ATOM 0 HG1 THR A 71 -7.155 -2.166 -8.261 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.494 -0.152 -5.588 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.659 -1.545 -4.492 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.274 -1.448 -5.606 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.697 -3.955 -6.959 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.360 -4.422 -6.749 1.00 0.45 C ATOM 1166 C GLU A 72 -3.382 -3.267 -6.926 1.00 0.47 C ATOM 1167 O GLU A 72 -3.151 -2.788 -8.039 1.00 0.57 O ATOM 1168 CB GLU A 72 -4.084 -5.574 -7.728 1.00 0.63 C ATOM 1169 CG GLU A 72 -4.156 -5.203 -9.215 1.00 1.19 C ATOM 1170 CD GLU A 72 -5.564 -4.890 -9.703 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -6.017 -3.737 -9.533 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -6.230 -5.796 -10.252 1.00 1.80 O ATOM 0 H GLU A 72 -5.896 -3.694 -7.925 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.233 -4.799 -5.734 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -3.093 -5.977 -7.519 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.800 -6.373 -7.535 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -3.518 -4.338 -9.395 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -3.751 -6.025 -9.805 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.831 -2.788 -5.825 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.964 -1.630 -5.884 1.00 0.52 C ATOM 1181 C VAL A 73 -0.563 -2.006 -5.430 1.00 0.64 C ATOM 1182 O VAL A 73 -0.389 -2.588 -4.357 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.470 -0.459 -5.019 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.176 0.863 -5.712 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.953 -0.579 -4.710 1.00 0.53 C ATOM 0 H VAL A 73 -2.967 -3.178 -4.892 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.958 -1.299 -6.922 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.939 -0.494 -4.068 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.537 1.686 -5.094 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -1.101 0.965 -5.860 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.680 0.887 -6.678 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.267 0.267 -4.098 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.519 -0.584 -5.641 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -4.138 -1.507 -4.168 1.00 0.53 H new ATOM 1195 N GLU A 74 0.429 -1.708 -6.257 1.00 0.80 N ATOM 1196 CA GLU A 74 1.809 -1.940 -5.888 1.00 0.96 C ATOM 1197 C GLU A 74 2.217 -0.984 -4.782 1.00 0.98 C ATOM 1198 O GLU A 74 2.112 0.233 -4.926 1.00 1.16 O ATOM 1199 CB GLU A 74 2.726 -1.775 -7.095 1.00 1.24 C ATOM 1200 CG GLU A 74 2.625 -2.916 -8.092 1.00 1.49 C ATOM 1201 CD GLU A 74 3.654 -2.812 -9.196 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.775 -3.338 -9.020 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.344 -2.215 -10.248 1.00 2.02 O ATOM 0 H GLU A 74 0.299 -1.306 -7.185 1.00 0.80 H new ATOM 0 HA GLU A 74 1.904 -2.964 -5.526 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.485 -0.839 -7.600 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.757 -1.694 -6.750 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.752 -3.864 -7.569 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.627 -2.925 -8.530 1.00 1.49 H new ATOM 1210 N ALA A 75 2.695 -1.561 -3.693 1.00 1.06 N ATOM 1211 CA ALA A 75 3.040 -0.822 -2.494 1.00 1.12 C ATOM 1212 C ALA A 75 4.287 -0.019 -2.739 1.00 1.43 C ATOM 1213 O ALA A 75 4.374 1.158 -2.400 1.00 1.80 O ATOM 1214 CB ALA A 75 3.260 -1.789 -1.345 1.00 1.02 C ATOM 0 H ALA A 75 2.856 -2.565 -3.617 1.00 1.06 H new ATOM 0 HA ALA A 75 2.226 -0.145 -2.237 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.519 -1.232 -0.445 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.347 -2.359 -1.169 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.072 -2.472 -1.595 1.00 1.02 H new ATOM 1220 N TYR A 76 5.255 -0.648 -3.371 1.00 1.71 N ATOM 1221 CA TYR A 76 6.509 0.023 -3.598 1.00 2.10 C ATOM 1222 C TYR A 76 7.227 -0.496 -4.824 1.00 2.93 C ATOM 1223 O TYR A 76 6.849 -1.509 -5.407 1.00 3.37 O ATOM 1224 CB TYR A 76 7.401 -0.124 -2.375 1.00 2.06 C ATOM 1225 CG TYR A 76 8.094 1.164 -2.007 1.00 2.42 C ATOM 1226 CD1 TYR A 76 9.426 1.384 -2.326 1.00 3.02 C ATOM 1227 CD2 TYR A 76 7.400 2.171 -1.352 1.00 2.63 C ATOM 1228 CE1 TYR A 76 10.045 2.569 -2.003 1.00 3.55 C ATOM 1229 CE2 TYR A 76 8.012 3.359 -1.022 1.00 3.23 C ATOM 1230 CZ TYR A 76 9.333 3.557 -1.349 1.00 3.62 C ATOM 1231 OH TYR A 76 9.944 4.744 -1.021 1.00 4.28 O ATOM 0 H TYR A 76 5.198 -1.602 -3.728 1.00 1.71 H new ATOM 0 HA TYR A 76 6.288 1.076 -3.774 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.801 -0.464 -1.531 1.00 2.06 H new ATOM 0 HB3 TYR A 76 8.149 -0.894 -2.565 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.985 0.613 -2.836 1.00 3.02 H new ATOM 0 HD2 TYR A 76 6.362 2.020 -1.097 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.082 2.727 -2.259 1.00 3.55 H new ATOM 0 HE2 TYR A 76 7.458 4.131 -0.509 1.00 3.23 H new ATOM 0 HH TYR A 76 9.476 5.485 -1.460 1.00 4.28 H new ATOM 1383 N CYS A 85 14.976 4.442 2.914 1.00 2.66 N ATOM 1384 CA CYS A 85 15.052 3.749 4.198 1.00 3.24 C ATOM 1385 C CYS A 85 14.534 4.635 5.309 1.00 3.77 C ATOM 1386 O CYS A 85 14.295 4.206 6.435 1.00 4.31 O ATOM 1387 CB CYS A 85 16.499 3.283 4.453 1.00 3.79 C ATOM 1388 SG CYS A 85 17.706 4.624 4.693 1.00 4.64 S ATOM 0 HA CYS A 85 14.416 2.864 4.173 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.509 2.643 5.335 1.00 3.79 H new ATOM 0 HB3 CYS A 85 16.821 2.670 3.611 1.00 3.79 H new ATOM 0 HG CYS A 85 18.884 4.115 4.901 1.00 4.64 H new ATOM 1393 N GLY A 86 14.365 5.876 4.948 1.00 4.00 N ATOM 1394 CA GLY A 86 13.745 6.864 5.806 1.00 4.75 C ATOM 1395 C GLY A 86 12.312 7.132 5.394 1.00 4.42 C ATOM 1396 O GLY A 86 11.752 8.184 5.705 1.00 5.13 O ATOM 0 H GLY A 86 14.655 6.241 4.041 1.00 4.00 H new ATOM 0 HA2 GLY A 86 13.769 6.518 6.839 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.316 7.792 5.767 1.00 4.75 H new ATOM 1400 N LYS A 87 11.715 6.176 4.690 1.00 3.51 N ATOM 1401 CA LYS A 87 10.458 6.406 3.990 1.00 3.25 C ATOM 1402 C LYS A 87 9.286 5.768 4.717 1.00 2.57 C ATOM 1403 O LYS A 87 9.396 4.661 5.250 1.00 2.57 O ATOM 1404 CB LYS A 87 10.520 5.782 2.605 1.00 3.54 C ATOM 1405 CG LYS A 87 9.864 6.595 1.504 1.00 4.49 C ATOM 1406 CD LYS A 87 10.660 7.840 1.167 1.00 5.19 C ATOM 1407 CE LYS A 87 10.289 8.364 -0.209 1.00 6.18 C ATOM 1408 NZ LYS A 87 11.009 9.617 -0.539 1.00 6.95 N ATOM 0 H LYS A 87 12.084 5.231 4.589 1.00 3.51 H new ATOM 0 HA LYS A 87 10.314 7.485 3.938 1.00 3.25 H new ATOM 0 HB2 LYS A 87 11.565 5.620 2.343 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.046 4.801 2.643 1.00 3.54 H new ATOM 0 HG2 LYS A 87 9.760 5.979 0.611 1.00 4.49 H new ATOM 0 HG3 LYS A 87 8.859 6.880 1.814 1.00 4.49 H new ATOM 0 HD2 LYS A 87 10.474 8.610 1.916 1.00 5.19 H new ATOM 0 HD3 LYS A 87 11.726 7.615 1.200 1.00 5.19 H new ATOM 0 HE2 LYS A 87 10.517 7.607 -0.959 1.00 6.18 H new ATOM 0 HE3 LYS A 87 9.214 8.541 -0.252 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 10.727 9.940 -1.486 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 10.772 10.348 0.161 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 12.034 9.443 -0.524 1.00 6.95 H new ATOM 1422 N ARG A 88 8.167 6.471 4.704 1.00 2.48 N ATOM 1423 CA ARG A 88 6.905 5.959 5.235 1.00 2.17 C ATOM 1424 C ARG A 88 5.749 6.577 4.454 1.00 1.70 C ATOM 1425 O ARG A 88 5.243 7.639 4.822 1.00 2.18 O ATOM 1426 CB ARG A 88 6.738 6.337 6.715 1.00 3.14 C ATOM 1427 CG ARG A 88 7.902 5.952 7.610 1.00 3.80 C ATOM 1428 CD ARG A 88 7.699 6.456 9.025 1.00 4.78 C ATOM 1429 NE ARG A 88 7.610 7.914 9.078 1.00 5.43 N ATOM 1430 CZ ARG A 88 7.000 8.586 10.049 1.00 6.34 C ATOM 1431 NH1 ARG A 88 6.424 7.935 11.053 1.00 6.69 N ATOM 1432 NH2 ARG A 88 6.966 9.912 10.012 1.00 7.15 N ATOM 0 H ARG A 88 8.102 7.416 4.325 1.00 2.48 H new ATOM 0 HA ARG A 88 6.908 4.873 5.140 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.586 7.414 6.785 1.00 3.14 H new ATOM 0 HB3 ARG A 88 5.834 5.863 7.096 1.00 3.14 H new ATOM 0 HG2 ARG A 88 8.012 4.868 7.620 1.00 3.80 H new ATOM 0 HG3 ARG A 88 8.827 6.363 7.205 1.00 3.80 H new ATOM 0 HD2 ARG A 88 6.788 6.022 9.438 1.00 4.78 H new ATOM 0 HD3 ARG A 88 8.525 6.120 9.652 1.00 4.78 H new ATOM 0 HE ARG A 88 8.042 8.448 8.324 1.00 5.43 H new ATOM 0 HH11 ARG A 88 6.449 6.916 11.081 1.00 6.69 H new ATOM 0 HH12 ARG A 88 5.957 8.454 11.796 1.00 6.69 H new ATOM 0 HH21 ARG A 88 7.407 10.412 9.240 1.00 7.15 H new ATOM 0 HH22 ARG A 88 6.499 10.431 10.755 1.00 7.15 H new ATOM 1446 N TYR A 89 5.315 5.899 3.402 1.00 1.34 N ATOM 1447 CA TYR A 89 4.233 6.386 2.545 1.00 1.31 C ATOM 1448 C TYR A 89 3.552 5.203 1.885 1.00 1.05 C ATOM 1449 O TYR A 89 4.155 4.137 1.798 1.00 1.43 O ATOM 1450 CB TYR A 89 4.766 7.346 1.475 1.00 2.13 C ATOM 1451 CG TYR A 89 5.288 8.655 2.026 1.00 2.67 C ATOM 1452 CD1 TYR A 89 4.430 9.714 2.274 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.642 8.834 2.280 1.00 2.94 C ATOM 1454 CE1 TYR A 89 4.902 10.916 2.755 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.123 10.035 2.769 1.00 3.68 C ATOM 1456 CZ TYR A 89 6.246 11.043 3.072 1.00 4.27 C ATOM 1457 OH TYR A 89 6.716 12.274 3.482 1.00 5.18 O ATOM 0 H TYR A 89 5.698 4.998 3.115 1.00 1.34 H new ATOM 0 HA TYR A 89 3.517 6.932 3.160 1.00 1.31 H new ATOM 0 HB2 TYR A 89 5.566 6.851 0.924 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.970 7.556 0.761 1.00 2.13 H new ATOM 0 HD1 TYR A 89 3.373 9.595 2.087 1.00 3.40 H new ATOM 0 HD2 TYR A 89 7.330 8.023 2.093 1.00 2.94 H new ATOM 0 HE1 TYR A 89 4.231 11.752 2.884 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.184 10.177 2.911 1.00 3.68 H new ATOM 0 HH TYR A 89 7.676 12.211 3.671 1.00 5.18 H new ATOM 1467 N GLU A 90 2.297 5.356 1.471 1.00 0.79 N ATOM 1468 CA GLU A 90 1.622 4.292 0.765 1.00 0.71 C ATOM 1469 C GLU A 90 0.329 4.735 0.073 1.00 0.53 C ATOM 1470 O GLU A 90 -0.135 5.868 0.256 1.00 0.63 O ATOM 1471 CB GLU A 90 1.384 3.146 1.667 1.00 1.07 C ATOM 1472 CG GLU A 90 0.659 2.037 1.010 1.00 1.28 C ATOM 1473 CD GLU A 90 1.474 1.288 -0.006 1.00 1.79 C ATOM 1474 OE1 GLU A 90 1.918 1.920 -0.978 1.00 2.09 O ATOM 1475 OE2 GLU A 90 1.679 0.072 0.183 1.00 2.07 O ATOM 0 H GLU A 90 1.740 6.198 1.614 1.00 0.79 H new ATOM 0 HA GLU A 90 2.289 3.981 -0.039 1.00 0.71 H new ATOM 0 HB2 GLU A 90 2.340 2.778 2.039 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.814 3.484 2.533 1.00 1.07 H new ATOM 0 HG2 GLU A 90 0.318 1.338 1.773 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -0.231 2.437 0.523 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.220 3.834 -0.741 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.574 3.936 -1.236 1.00 0.43 C ATOM 1484 C LEU A 91 -2.582 4.044 -0.105 1.00 0.43 C ATOM 1485 O LEU A 91 -2.389 3.533 0.996 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.954 2.735 -2.120 1.00 0.50 C ATOM 1487 CG LEU A 91 -1.192 1.438 -1.844 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -2.149 0.280 -1.642 1.00 1.82 C ATOM 1489 CD2 LEU A 91 -0.227 1.142 -2.978 1.00 1.02 C ATOM 0 H LEU A 91 0.276 3.007 -1.073 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.605 4.846 -1.835 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -3.020 2.541 -1.998 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.797 3.011 -3.163 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.620 1.566 -0.925 1.00 0.93 H new ATOM 0 HD11 LEU A 91 -1.582 -0.631 -1.447 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -2.801 0.490 -0.794 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -2.753 0.147 -2.539 1.00 1.82 H new ATOM 0 HD21 LEU A 91 0.308 0.216 -2.768 1.00 1.02 H new ATOM 0 HD22 LEU A 91 -0.782 1.037 -3.910 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.487 1.961 -3.071 1.00 1.02 H new ATOM 1501 N SER A 92 -3.661 4.726 -0.399 1.00 0.43 N ATOM 1502 CA SER A 92 -4.746 4.889 0.532 1.00 0.48 C ATOM 1503 C SER A 92 -6.047 4.804 -0.213 1.00 0.43 C ATOM 1504 O SER A 92 -6.279 5.527 -1.176 1.00 0.51 O ATOM 1505 CB SER A 92 -4.622 6.220 1.270 1.00 0.59 C ATOM 1506 OG SER A 92 -4.278 7.272 0.384 1.00 1.23 O ATOM 0 H SER A 92 -3.811 5.186 -1.297 1.00 0.43 H new ATOM 0 HA SER A 92 -4.711 4.095 1.278 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.565 6.453 1.765 1.00 0.59 H new ATOM 0 HB3 SER A 92 -3.865 6.136 2.050 1.00 0.59 H new ATOM 0 HG SER A 92 -3.910 6.896 -0.443 1.00 1.23 H new ATOM 1512 N ALA A 93 -6.884 3.909 0.229 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.111 3.647 -0.451 1.00 0.54 C ATOM 1514 C ALA A 93 -9.125 4.681 -0.074 1.00 0.62 C ATOM 1515 O ALA A 93 -9.708 4.644 1.000 1.00 0.83 O ATOM 1516 CB ALA A 93 -8.585 2.266 -0.139 1.00 0.66 C ATOM 0 H ALA A 93 -6.733 3.346 1.066 1.00 0.52 H new ATOM 0 HA ALA A 93 -7.956 3.705 -1.528 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -9.522 2.076 -0.663 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -7.836 1.543 -0.461 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -8.744 2.170 0.935 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.317 5.612 -0.960 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.055 6.814 -0.623 1.00 1.26 C ATOM 1524 C ARG A 94 -11.306 6.982 -1.410 1.00 0.70 C ATOM 1525 O ARG A 94 -11.505 6.419 -2.479 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.193 8.070 -0.786 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.100 8.236 0.257 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.407 9.580 0.094 1.00 4.38 C ATOM 1529 NE ARG A 94 -6.432 9.846 1.152 1.00 5.11 N ATOM 1530 CZ ARG A 94 -5.632 10.913 1.169 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -5.685 11.801 0.186 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -4.792 11.101 2.179 1.00 6.80 N ATOM 0 H ARG A 94 -8.978 5.572 -1.921 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.333 6.689 0.423 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -8.733 8.051 -1.774 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -9.842 8.945 -0.753 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.528 8.160 1.256 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.372 7.431 0.160 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -6.905 9.610 -0.873 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -8.156 10.372 0.089 1.00 4.38 H new ATOM 0 HE ARG A 94 -6.360 9.178 1.920 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -6.339 11.669 -0.586 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -5.072 12.616 0.201 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -4.757 10.428 2.945 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -4.181 11.918 2.189 1.00 6.80 H new ATOM 1546 N MET A 95 -12.144 7.725 -0.744 1.00 0.84 N ATOM 1547 CA MET A 95 -13.418 8.220 -1.199 1.00 1.41 C ATOM 1548 C MET A 95 -13.674 8.078 -2.707 1.00 1.48 C ATOM 1549 O MET A 95 -14.579 7.351 -3.111 1.00 2.12 O ATOM 1550 CB MET A 95 -13.511 9.683 -0.771 1.00 2.09 C ATOM 1551 CG MET A 95 -12.989 9.924 0.648 1.00 2.32 C ATOM 1552 SD MET A 95 -13.043 11.661 1.131 1.00 3.26 S ATOM 1553 CE MET A 95 -14.797 12.002 1.004 1.00 3.27 C ATOM 0 H MET A 95 -11.939 8.026 0.209 1.00 0.84 H new ATOM 0 HA MET A 95 -14.193 7.604 -0.744 1.00 1.41 H new ATOM 0 HB2 MET A 95 -12.944 10.297 -1.470 1.00 2.09 H new ATOM 0 HB3 MET A 95 -14.550 10.008 -0.831 1.00 2.09 H new ATOM 0 HG2 MET A 95 -13.580 9.338 1.352 1.00 2.32 H new ATOM 0 HG3 MET A 95 -11.962 9.565 0.718 1.00 2.32 H new ATOM 0 HE1 MET A 95 -15.071 12.773 1.724 1.00 3.27 H new ATOM 0 HE2 MET A 95 -15.028 12.348 -0.003 1.00 3.27 H new ATOM 0 HE3 MET A 95 -15.361 11.093 1.214 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.898 8.774 -3.536 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.159 8.777 -4.977 1.00 1.45 C ATOM 1565 C ASP A 96 -12.274 7.780 -5.730 1.00 1.30 C ATOM 1566 O ASP A 96 -12.665 7.277 -6.785 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.990 10.183 -5.564 1.00 1.76 C ATOM 1568 CG ASP A 96 -11.563 10.693 -5.509 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -10.834 10.533 -6.509 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.171 11.274 -4.474 1.00 2.86 O ATOM 0 H ASP A 96 -12.097 9.334 -3.244 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.194 8.462 -5.108 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -13.326 10.178 -6.601 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -13.636 10.874 -5.023 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.106 7.476 -5.182 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.169 6.556 -5.819 1.00 0.62 C ATOM 1577 C ALA A 97 -9.122 6.124 -4.833 1.00 0.60 C ATOM 1578 O ALA A 97 -9.042 6.617 -3.711 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.460 7.174 -7.028 1.00 0.55 C ATOM 0 H ALA A 97 -10.782 7.855 -4.292 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.759 5.707 -6.165 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.776 6.444 -7.461 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.200 7.465 -7.774 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.899 8.053 -6.711 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.319 5.202 -5.277 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.176 4.761 -4.537 1.00 0.34 C ATOM 1587 C ILE A 98 -6.044 5.756 -4.708 1.00 0.32 C ATOM 1588 O ILE A 98 -5.534 5.948 -5.802 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.790 3.374 -5.024 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.812 2.381 -4.479 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.355 3.024 -4.616 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.414 1.790 -3.178 1.00 0.50 C ATOM 0 H ILE A 98 -8.442 4.731 -6.173 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.402 4.703 -3.472 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.805 3.336 -6.113 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.772 2.884 -4.364 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.956 1.581 -5.206 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.107 2.026 -4.978 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.666 3.749 -5.050 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.270 3.047 -3.530 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.183 1.093 -2.845 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.469 1.260 -3.293 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.298 2.582 -2.439 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.682 6.395 -3.619 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.730 7.493 -3.645 1.00 0.53 C ATOM 1606 C TYR A 99 -3.339 7.028 -3.271 1.00 0.63 C ATOM 1607 O TYR A 99 -3.090 6.663 -2.125 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.174 8.585 -2.674 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.105 9.605 -3.284 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.326 9.227 -3.822 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -5.765 10.951 -3.311 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.183 10.158 -4.369 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -6.617 11.889 -3.858 1.00 2.26 C ATOM 1614 CZ TYR A 99 -7.824 11.488 -4.385 1.00 2.77 C ATOM 1615 OH TYR A 99 -8.682 12.418 -4.924 1.00 3.67 O ATOM 0 H TYR A 99 -6.036 6.172 -2.689 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.700 7.885 -4.662 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.669 8.120 -1.821 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.292 9.097 -2.290 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.610 8.185 -3.812 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -4.819 11.269 -2.898 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.131 9.846 -4.783 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -6.338 12.932 -3.873 1.00 2.26 H new ATOM 0 HH TYR A 99 -9.608 12.124 -4.793 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.434 7.042 -4.229 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.050 6.719 -3.947 1.00 0.91 C ATOM 1627 C PHE A 100 -0.308 7.991 -3.572 1.00 1.25 C ATOM 1628 O PHE A 100 -0.245 8.935 -4.362 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.387 6.046 -5.148 1.00 1.20 C ATOM 1630 CG PHE A 100 1.038 5.655 -4.889 1.00 1.73 C ATOM 1631 CD1 PHE A 100 2.078 6.300 -5.539 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.338 4.650 -3.983 1.00 2.19 C ATOM 1633 CE1 PHE A 100 3.388 5.950 -5.293 1.00 2.83 C ATOM 1634 CE2 PHE A 100 2.648 4.294 -3.734 1.00 2.91 C ATOM 1635 CZ PHE A 100 3.674 4.943 -4.390 1.00 3.12 C ATOM 0 H PHE A 100 -2.630 7.272 -5.203 1.00 0.72 H new ATOM 0 HA PHE A 100 -1.013 6.016 -3.115 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -0.958 5.158 -5.421 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.423 6.722 -6.002 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.859 7.086 -6.247 1.00 2.22 H new ATOM 0 HD2 PHE A 100 0.538 4.140 -3.466 1.00 2.19 H new ATOM 0 HE1 PHE A 100 4.190 6.461 -5.805 1.00 2.83 H new ATOM 0 HE2 PHE A 100 2.870 3.509 -3.027 1.00 2.91 H new ATOM 0 HZ PHE A 100 4.700 4.664 -4.198 1.00 3.12 H new ATOM 1645 N LYS A 101 0.236 8.029 -2.365 1.00 1.07 N ATOM 1646 CA LYS A 101 0.875 9.235 -1.878 1.00 1.43 C ATOM 1647 C LYS A 101 2.234 8.956 -1.257 1.00 1.37 C ATOM 1648 O LYS A 101 2.379 8.114 -0.367 1.00 1.55 O ATOM 1649 CB LYS A 101 -0.034 9.961 -0.884 1.00 2.06 C ATOM 1650 CG LYS A 101 -0.516 9.096 0.268 1.00 2.92 C ATOM 1651 CD LYS A 101 -1.598 9.796 1.073 1.00 3.76 C ATOM 1652 CE LYS A 101 -2.031 8.967 2.271 1.00 4.58 C ATOM 1653 NZ LYS A 101 -0.958 8.875 3.295 1.00 5.15 N ATOM 0 H LYS A 101 0.247 7.245 -1.713 1.00 1.07 H new ATOM 0 HA LYS A 101 1.043 9.881 -2.740 1.00 1.43 H new ATOM 0 HB2 LYS A 101 0.502 10.819 -0.479 1.00 2.06 H new ATOM 0 HB3 LYS A 101 -0.901 10.350 -1.419 1.00 2.06 H new ATOM 0 HG2 LYS A 101 -0.902 8.153 -0.120 1.00 2.92 H new ATOM 0 HG3 LYS A 101 0.324 8.853 0.919 1.00 2.92 H new ATOM 0 HD2 LYS A 101 -1.230 10.764 1.414 1.00 3.76 H new ATOM 0 HD3 LYS A 101 -2.459 9.990 0.434 1.00 3.76 H new ATOM 0 HE2 LYS A 101 -2.922 9.410 2.717 1.00 4.58 H new ATOM 0 HE3 LYS A 101 -2.305 7.965 1.940 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 -1.346 8.466 4.169 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 -0.191 8.269 2.940 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 -0.585 9.825 3.493 1.00 5.15 H new ATOM 1667 N MET A 102 3.219 9.677 -1.767 1.00 1.76 N ATOM 1668 CA MET A 102 4.582 9.657 -1.254 1.00 2.21 C ATOM 1669 C MET A 102 5.121 11.073 -1.322 1.00 2.42 C ATOM 1670 O MET A 102 4.531 11.915 -1.992 1.00 2.62 O ATOM 1671 CB MET A 102 5.495 8.727 -2.064 1.00 2.82 C ATOM 1672 CG MET A 102 5.080 7.264 -2.050 1.00 3.61 C ATOM 1673 SD MET A 102 6.405 6.162 -2.585 1.00 4.57 S ATOM 1674 CE MET A 102 6.835 6.878 -4.169 1.00 5.14 C ATOM 0 H MET A 102 3.093 10.303 -2.562 1.00 1.76 H new ATOM 0 HA MET A 102 4.566 9.280 -0.232 1.00 2.21 H new ATOM 0 HB2 MET A 102 5.521 9.074 -3.097 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.510 8.807 -1.675 1.00 2.82 H new ATOM 0 HG2 MET A 102 4.768 6.988 -1.043 1.00 3.61 H new ATOM 0 HG3 MET A 102 4.215 7.129 -2.700 1.00 3.61 H new ATOM 0 HE1 MET A 102 7.300 6.118 -4.798 1.00 5.14 H new ATOM 0 HE2 MET A 102 5.934 7.251 -4.656 1.00 5.14 H new ATOM 0 HE3 MET A 102 7.533 7.701 -4.019 1.00 5.14 H new ATOM 1684 N ASP A 103 6.214 11.356 -0.634 1.00 2.92 N ATOM 1685 CA ASP A 103 6.782 12.696 -0.681 1.00 3.46 C ATOM 1686 C ASP A 103 7.380 12.985 -2.039 1.00 3.62 C ATOM 1687 O ASP A 103 7.638 12.067 -2.821 1.00 3.77 O ATOM 1688 CB ASP A 103 7.851 12.913 0.377 1.00 4.39 C ATOM 1689 CG ASP A 103 9.054 12.001 0.214 1.00 5.03 C ATOM 1690 OD1 ASP A 103 9.919 12.300 -0.629 1.00 5.64 O ATOM 1691 OD2 ASP A 103 9.139 10.978 0.922 1.00 5.25 O ATOM 0 H ASP A 103 6.719 10.692 -0.047 1.00 2.92 H new ATOM 0 HA ASP A 103 5.956 13.379 -0.483 1.00 3.46 H new ATOM 0 HB2 ASP A 103 8.183 13.950 0.340 1.00 4.39 H new ATOM 0 HB3 ASP A 103 7.414 12.753 1.363 1.00 4.39 H new ATOM 1696 N GLU A 104 7.574 14.278 -2.311 1.00 4.02 N ATOM 1697 CA GLU A 104 8.122 14.748 -3.580 1.00 4.43 C ATOM 1698 C GLU A 104 7.121 14.500 -4.710 1.00 4.28 C ATOM 1699 O GLU A 104 7.354 14.862 -5.866 1.00 4.73 O ATOM 1700 CB GLU A 104 9.449 14.059 -3.867 1.00 4.95 C ATOM 1701 CG GLU A 104 10.259 14.686 -4.986 1.00 5.34 C ATOM 1702 CD GLU A 104 11.403 13.799 -5.424 1.00 6.03 C ATOM 1703 OE1 GLU A 104 11.263 13.111 -6.458 1.00 6.26 O ATOM 1704 OE2 GLU A 104 12.441 13.767 -4.731 1.00 6.61 O ATOM 0 H GLU A 104 7.354 15.027 -1.655 1.00 4.02 H new ATOM 0 HA GLU A 104 8.303 15.821 -3.514 1.00 4.43 H new ATOM 0 HB2 GLU A 104 10.049 14.062 -2.957 1.00 4.95 H new ATOM 0 HB3 GLU A 104 9.255 13.016 -4.118 1.00 4.95 H new ATOM 0 HG2 GLU A 104 9.608 14.885 -5.837 1.00 5.34 H new ATOM 0 HG3 GLU A 104 10.652 15.647 -4.654 1.00 5.34 H new ATOM 1711 N ARG A 105 6.001 13.882 -4.359 1.00 3.93 N ATOM 1712 CA ARG A 105 4.950 13.568 -5.324 1.00 3.96 C ATOM 1713 C ARG A 105 3.581 13.933 -4.758 1.00 3.41 C ATOM 1714 O ARG A 105 3.275 13.616 -3.613 1.00 3.35 O ATOM 1715 CB ARG A 105 4.978 12.078 -5.689 1.00 4.49 C ATOM 1716 CG ARG A 105 6.267 11.632 -6.360 1.00 4.98 C ATOM 1717 CD ARG A 105 6.236 10.151 -6.717 1.00 5.81 C ATOM 1718 NE ARG A 105 5.177 9.836 -7.680 1.00 6.29 N ATOM 1719 CZ ARG A 105 4.852 8.597 -8.060 1.00 7.10 C ATOM 1720 NH1 ARG A 105 5.521 7.553 -7.591 1.00 7.50 N ATOM 1721 NH2 ARG A 105 3.868 8.407 -8.931 1.00 7.74 N ATOM 0 H ARG A 105 5.794 13.585 -3.405 1.00 3.93 H new ATOM 0 HA ARG A 105 5.131 14.155 -6.225 1.00 3.96 H new ATOM 0 HB2 ARG A 105 4.829 11.489 -4.784 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.141 11.861 -6.352 1.00 4.49 H new ATOM 0 HG2 ARG A 105 6.429 12.220 -7.263 1.00 4.98 H new ATOM 0 HG3 ARG A 105 7.109 11.828 -5.696 1.00 4.98 H new ATOM 0 HD2 ARG A 105 7.201 9.859 -7.132 1.00 5.81 H new ATOM 0 HD3 ARG A 105 6.087 9.564 -5.811 1.00 5.81 H new ATOM 0 HE ARG A 105 4.655 10.612 -8.086 1.00 6.29 H new ATOM 0 HH11 ARG A 105 6.290 7.693 -6.935 1.00 7.50 H new ATOM 0 HH12 ARG A 105 5.267 6.610 -7.886 1.00 7.50 H new ATOM 0 HH21 ARG A 105 3.361 9.207 -9.310 1.00 7.74 H new ATOM 0 HH22 ARG A 105 3.620 7.461 -9.221 1.00 7.74 H new ATOM 1735 N PRO A 106 2.744 14.619 -5.543 1.00 3.33 N ATOM 1736 CA PRO A 106 1.394 14.989 -5.111 1.00 3.10 C ATOM 1737 C PRO A 106 0.458 13.778 -5.034 1.00 2.43 C ATOM 1738 O PRO A 106 0.385 12.983 -5.976 1.00 2.29 O ATOM 1739 CB PRO A 106 0.926 15.966 -6.192 1.00 3.53 C ATOM 1740 CG PRO A 106 1.732 15.628 -7.400 1.00 4.00 C ATOM 1741 CD PRO A 106 3.050 15.103 -6.901 1.00 3.83 C ATOM 0 HA PRO A 106 1.389 15.416 -4.108 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -0.141 15.856 -6.387 1.00 3.53 H new ATOM 0 HB3 PRO A 106 1.089 16.999 -5.886 1.00 3.53 H new ATOM 0 HG2 PRO A 106 1.223 14.882 -8.010 1.00 4.00 H new ATOM 0 HG3 PRO A 106 1.877 16.507 -8.028 1.00 4.00 H new ATOM 0 HD2 PRO A 106 3.428 14.301 -7.536 1.00 3.83 H new ATOM 0 HD3 PRO A 106 3.811 15.883 -6.886 1.00 3.83 H new ATOM 1749 N PRO A 107 -0.241 13.611 -3.892 1.00 2.31 N ATOM 1750 CA PRO A 107 -1.235 12.544 -3.702 1.00 1.85 C ATOM 1751 C PRO A 107 -2.332 12.585 -4.760 1.00 1.51 C ATOM 1752 O PRO A 107 -3.140 13.515 -4.798 1.00 1.80 O ATOM 1753 CB PRO A 107 -1.827 12.844 -2.320 1.00 2.23 C ATOM 1754 CG PRO A 107 -0.778 13.634 -1.621 1.00 2.91 C ATOM 1755 CD PRO A 107 -0.101 14.446 -2.688 1.00 2.93 C ATOM 0 HA PRO A 107 -0.786 11.554 -3.784 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -2.757 13.406 -2.402 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -2.056 11.925 -1.780 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -1.216 14.278 -0.858 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -0.067 12.980 -1.116 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -0.577 15.418 -2.816 1.00 2.93 H new ATOM 0 HD3 PRO A 107 0.946 14.632 -2.448 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.360 11.576 -5.614 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.292 11.548 -6.730 1.00 0.94 C ATOM 1765 C GLN A 108 -3.966 10.188 -6.837 1.00 0.70 C ATOM 1766 O GLN A 108 -3.449 9.188 -6.330 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.548 11.864 -8.026 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.999 13.277 -8.079 1.00 1.72 C ATOM 1769 CD GLN A 108 -1.035 13.475 -9.225 1.00 2.15 C ATOM 1770 OE1 GLN A 108 0.235 13.217 -8.969 1.00 2.57 O flip ATOM 1771 NE2 GLN A 108 -1.426 13.854 -10.329 1.00 2.71 N flip ATOM 0 H GLN A 108 -1.747 10.763 -5.556 1.00 1.09 H new ATOM 0 HA GLN A 108 -4.063 12.299 -6.560 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -1.726 11.158 -8.145 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -3.222 11.713 -8.869 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -2.825 13.982 -8.176 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.495 13.504 -7.140 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -2.417 14.042 -10.482 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -0.759 13.980 -11.090 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.149 10.144 -7.474 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.850 8.892 -7.759 1.00 0.55 C ATOM 1782 C PRO A 109 -5.004 7.959 -8.611 1.00 0.56 C ATOM 1783 O PRO A 109 -4.714 8.249 -9.773 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.091 9.336 -8.537 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.284 10.763 -8.168 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.905 11.314 -7.952 1.00 0.91 C ATOM 0 HA PRO A 109 -6.084 8.338 -6.850 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -6.945 9.222 -9.611 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.961 8.737 -8.268 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.803 11.305 -8.958 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.889 10.856 -7.266 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.483 11.718 -8.873 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.904 12.121 -7.220 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.606 6.848 -8.025 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.743 5.896 -8.692 1.00 0.61 C ATOM 1796 C LEU A 110 -4.575 4.852 -9.415 1.00 0.51 C ATOM 1797 O LEU A 110 -4.201 4.379 -10.490 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.801 5.245 -7.661 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.562 4.513 -8.206 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -1.924 3.156 -8.788 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.848 5.366 -9.243 1.00 1.61 C ATOM 0 H LEU A 110 -4.871 6.581 -7.077 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.136 6.411 -9.436 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.461 6.022 -6.976 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -3.382 4.534 -7.073 1.00 0.83 H new ATOM 0 HG LEU A 110 -0.886 4.343 -7.368 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -1.024 2.669 -9.163 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -2.376 2.537 -8.013 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -2.632 3.288 -9.606 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.025 4.831 -9.616 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -1.526 5.576 -10.071 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.531 6.304 -8.787 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.724 4.535 -8.843 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.560 3.459 -9.365 1.00 0.48 C ATOM 1815 C ASN A 111 -7.749 3.287 -8.486 1.00 0.42 C ATOM 1816 O ASN A 111 -7.638 2.708 -7.429 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.837 2.116 -9.370 1.00 0.60 C ATOM 1818 CG ASN A 111 -6.381 1.179 -10.434 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -5.958 1.224 -11.592 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -7.310 0.317 -10.053 1.00 1.75 N ATOM 0 H ASN A 111 -6.101 5.004 -8.019 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.828 3.738 -10.384 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.773 2.278 -9.540 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.935 1.648 -8.391 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -7.702 -0.341 -10.726 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -7.634 0.311 -9.086 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.886 3.714 -8.925 1.00 0.59 N ATOM 1828 CA LYS A 112 -10.059 3.571 -8.102 1.00 0.60 C ATOM 1829 C LYS A 112 -10.344 2.104 -7.895 1.00 0.72 C ATOM 1830 O LYS A 112 -10.209 1.286 -8.809 1.00 0.84 O ATOM 1831 CB LYS A 112 -11.275 4.313 -8.667 1.00 0.72 C ATOM 1832 CG LYS A 112 -11.699 3.889 -10.070 1.00 1.33 C ATOM 1833 CD LYS A 112 -12.653 2.704 -10.035 1.00 1.68 C ATOM 1834 CE LYS A 112 -13.074 2.279 -11.431 1.00 2.31 C ATOM 1835 NZ LYS A 112 -13.997 1.115 -11.402 1.00 2.93 N ATOM 0 H LYS A 112 -9.036 4.158 -9.831 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.857 4.038 -7.138 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -12.117 4.167 -7.990 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -11.057 5.381 -8.678 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -12.179 4.728 -10.574 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.816 3.629 -10.654 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.174 1.866 -9.529 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -13.536 2.965 -9.452 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -13.560 3.115 -11.934 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.189 2.026 -12.016 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -13.638 0.371 -12.034 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -14.059 0.745 -10.432 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -14.941 1.413 -11.720 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.685 1.792 -6.675 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.803 0.428 -6.231 1.00 0.97 C ATOM 1851 C TRP A 113 -11.974 -0.304 -6.884 1.00 1.02 C ATOM 1852 O TRP A 113 -13.072 -0.366 -6.344 1.00 1.12 O ATOM 1853 CB TRP A 113 -10.948 0.446 -4.714 1.00 1.07 C ATOM 1854 CG TRP A 113 -11.478 1.775 -4.192 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -10.863 2.603 -3.295 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -12.706 2.447 -4.561 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -11.612 3.739 -3.100 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -12.746 3.660 -3.855 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -13.772 2.145 -5.419 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -13.798 4.563 -3.979 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -14.815 3.041 -5.538 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -14.822 4.237 -4.821 1.00 2.20 C ATOM 0 H TRP A 113 -10.891 2.483 -5.953 1.00 0.77 H new ATOM 0 HA TRP A 113 -9.910 -0.122 -6.528 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.621 -0.355 -4.408 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -9.980 0.241 -4.258 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -9.922 2.394 -2.808 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -11.361 4.516 -2.489 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -13.777 1.222 -5.980 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -13.804 5.491 -3.427 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -15.639 2.812 -6.197 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -15.653 4.918 -4.934 1.00 2.20 H new ATOM 1873 N ARG A 114 -11.647 -0.958 -7.989 1.00 1.34 N ATOM 1874 CA ARG A 114 -12.580 -1.779 -8.784 1.00 1.50 C ATOM 1875 C ARG A 114 -14.032 -1.292 -8.729 1.00 1.82 C ATOM 1876 O ARG A 114 -14.290 -0.087 -8.721 1.00 2.41 O ATOM 1877 CB ARG A 114 -12.439 -3.232 -8.330 1.00 1.80 C ATOM 1878 CG ARG A 114 -11.478 -4.037 -9.197 1.00 2.76 C ATOM 1879 CD ARG A 114 -10.111 -3.375 -9.274 1.00 3.56 C ATOM 1880 NE ARG A 114 -9.153 -4.153 -10.055 1.00 4.38 N ATOM 1881 CZ ARG A 114 -8.960 -3.999 -11.363 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -9.662 -3.103 -12.047 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -8.045 -4.727 -11.985 1.00 6.29 N ATOM 0 H ARG A 114 -10.704 -0.939 -8.377 1.00 1.34 H new ATOM 0 HA ARG A 114 -12.311 -1.687 -9.836 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -12.091 -3.252 -7.297 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -13.419 -3.708 -8.345 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -11.374 -5.043 -8.790 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -11.891 -4.140 -10.201 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -10.216 -2.384 -9.717 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -9.722 -3.234 -8.265 1.00 3.56 H new ATOM 0 HE ARG A 114 -8.598 -4.857 -9.569 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -10.355 -2.526 -11.570 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -9.508 -2.991 -13.049 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -7.490 -5.404 -11.462 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -7.896 -4.611 -12.987 1.00 6.29 H new ATOM 1897 N SER A 115 -14.957 -2.240 -8.813 1.00 2.02 N ATOM 1898 CA SER A 115 -16.389 -2.013 -8.619 1.00 2.76 C ATOM 1899 C SER A 115 -16.956 -1.088 -9.699 1.00 3.19 C ATOM 1900 O SER A 115 -17.268 -1.589 -10.802 1.00 3.60 O ATOM 1901 CB SER A 115 -16.719 -1.504 -7.196 1.00 3.33 C ATOM 1902 OG SER A 115 -16.046 -0.298 -6.858 1.00 4.01 O ATOM 1903 OXT SER A 115 -17.090 0.126 -9.454 1.00 3.62 O ATOM 0 H SER A 115 -14.730 -3.212 -9.023 1.00 2.02 H new ATOM 0 HA SER A 115 -16.880 -2.981 -8.721 1.00 2.76 H new ATOM 0 HB2 SER A 115 -17.794 -1.346 -7.115 1.00 3.33 H new ATOM 0 HB3 SER A 115 -16.454 -2.275 -6.472 1.00 3.33 H new ATOM 0 HG SER A 115 -15.607 0.066 -7.655 1.00 4.01 H new