USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 888 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 29 SER OG : rot 180:sc= -0.191 USER MOD Single : A 30 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.43) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.723) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 2.34 (180deg=2.04) USER MOD Single : A 41 MET CE :methyl -168:sc= -1.18 (180deg=-1.61) USER MOD Single : A 44 LYS NZ :NH3+ 135:sc= 0.166 (180deg=-0.307) USER MOD Single : A 46 ASN : amide:sc=-0.00129 K(o=-0.0013,f=-1.4) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 45:sc= 0.171 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.0869 (180deg=-0.36) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0241 (180deg=-0.242) USER MOD Single : A 65 SER OG : rot 59:sc= 0.961 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0.733 (180deg=0.586) USER MOD Single : A 79 THR OG1 : rot 129:sc= -0.0122 USER MOD Single : A 80 LYS NZ :NH3+ -173:sc=-0.00679 (180deg=-0.0709) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00531) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.839) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0.565 (180deg=0.565) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 1.33 (180deg=1.12) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0.959 (180deg=0.786) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= -0.0123 (180deg=-0.156) USER MOD Single : A 97 ASN : amide:sc= 0.0174 X(o=0.017,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.23) USER MOD Single : A 106 THR OG1 : rot -12:sc= -0.113 USER MOD Single : A 107 SER OG : rot 130:sc= 0.0953 USER MOD Single : A 112 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.21) USER MOD Single : A 116 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0508) USER MOD Single : A 119 SER OG : rot 68:sc= -2.28! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -2.708 13.454 -2.931 1.00 1.16 N ATOM 2 CA GLY A 22 -3.695 12.446 -2.478 1.00 1.05 C ATOM 3 C GLY A 22 -3.331 11.050 -2.933 1.00 0.87 C ATOM 4 O GLY A 22 -3.822 10.578 -3.960 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.761 12.467 -1.390 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -4.681 12.707 -2.862 1.00 1.05 H new ATOM 7 N LEU A 23 -2.469 10.386 -2.175 1.00 0.75 N ATOM 8 CA LEU A 23 -2.033 9.041 -2.516 1.00 0.62 C ATOM 9 C LEU A 23 -1.977 8.184 -1.251 1.00 0.51 C ATOM 10 O LEU A 23 -1.385 8.580 -0.245 1.00 0.59 O ATOM 11 CB LEU A 23 -0.662 9.110 -3.211 1.00 0.75 C ATOM 12 CG LEU A 23 -0.295 7.937 -4.137 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.008 6.671 -3.347 1.00 1.78 C ATOM 14 CD2 LEU A 23 -1.402 7.692 -5.154 1.00 1.91 C ATOM 0 H LEU A 23 -2.058 10.758 -1.319 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.741 8.580 -3.204 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.623 10.029 -3.795 1.00 0.75 H new ATOM 0 HB3 LEU A 23 0.106 9.189 -2.441 1.00 0.75 H new ATOM 0 HG LEU A 23 0.616 8.209 -4.670 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.248 5.864 -4.033 1.00 1.78 H new ATOM 0 HD12 LEU A 23 0.826 6.847 -2.668 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.891 6.393 -2.772 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -1.125 6.859 -5.800 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -2.329 7.454 -4.632 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -1.546 8.588 -5.758 1.00 1.91 H new ATOM 26 N LEU A 24 -2.616 7.022 -1.303 1.00 0.40 N ATOM 27 CA LEU A 24 -2.682 6.122 -0.157 1.00 0.39 C ATOM 28 C LEU A 24 -1.816 4.897 -0.433 1.00 0.38 C ATOM 29 O LEU A 24 -1.873 4.331 -1.523 1.00 0.50 O ATOM 30 CB LEU A 24 -4.143 5.714 0.085 1.00 0.44 C ATOM 31 CG LEU A 24 -4.528 5.303 1.516 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.770 4.071 1.977 1.00 1.02 C ATOM 33 CD2 LEU A 24 -4.309 6.460 2.481 1.00 1.24 C ATOM 0 H LEU A 24 -3.099 6.678 -2.133 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.308 6.621 0.737 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.780 6.547 -0.211 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.377 4.883 -0.580 1.00 0.44 H new ATOM 0 HG LEU A 24 -5.588 5.047 1.508 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.073 3.816 2.993 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.993 3.237 1.312 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -2.699 4.274 1.958 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -4.587 6.151 3.489 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -3.259 6.751 2.467 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -4.925 7.307 2.179 1.00 1.24 H new ATOM 45 N VAL A 25 -1.013 4.498 0.546 1.00 0.37 N ATOM 46 CA VAL A 25 -0.108 3.371 0.376 1.00 0.40 C ATOM 47 C VAL A 25 -0.389 2.267 1.397 1.00 0.42 C ATOM 48 O VAL A 25 -0.090 2.408 2.578 1.00 0.56 O ATOM 49 CB VAL A 25 1.367 3.814 0.511 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.308 2.639 0.296 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.690 4.943 -0.456 1.00 0.84 C ATOM 0 H VAL A 25 -0.971 4.939 1.465 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.279 2.981 -0.627 1.00 0.40 H new ATOM 0 HB VAL A 25 1.511 4.186 1.525 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.340 2.976 0.396 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.104 1.869 1.040 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.156 2.229 -0.702 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.734 5.235 -0.339 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.519 4.606 -1.479 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.048 5.798 -0.244 1.00 0.84 H new ATOM 61 N LEU A 26 -0.976 1.173 0.947 1.00 0.46 N ATOM 62 CA LEU A 26 -1.132 -0.001 1.797 1.00 0.57 C ATOM 63 C LEU A 26 0.042 -0.947 1.577 1.00 0.51 C ATOM 64 O LEU A 26 0.175 -1.542 0.509 1.00 0.58 O ATOM 65 CB LEU A 26 -2.445 -0.735 1.499 1.00 0.75 C ATOM 66 CG LEU A 26 -3.727 0.103 1.607 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.943 -0.738 1.247 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.891 0.685 3.004 1.00 1.00 C ATOM 0 H LEU A 26 -1.352 1.069 0.004 1.00 0.46 H new ATOM 0 HA LEU A 26 -1.156 0.330 2.835 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.387 -1.145 0.491 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.529 -1.580 2.183 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.644 0.930 0.902 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.843 -0.129 1.329 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.843 -1.103 0.225 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -5.015 -1.585 1.929 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.808 1.273 3.048 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.944 -0.125 3.732 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -3.039 1.324 3.234 1.00 1.00 H new ATOM 80 N ILE A 27 0.895 -1.090 2.578 1.00 0.50 N ATOM 81 CA ILE A 27 2.085 -1.909 2.437 1.00 0.49 C ATOM 82 C ILE A 27 2.010 -3.130 3.345 1.00 0.51 C ATOM 83 O ILE A 27 1.890 -3.008 4.564 1.00 0.72 O ATOM 84 CB ILE A 27 3.375 -1.100 2.737 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.598 -2.023 2.721 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.262 -0.366 4.071 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.906 -1.311 2.991 1.00 0.96 C ATOM 0 H ILE A 27 0.786 -0.651 3.492 1.00 0.50 H new ATOM 0 HA ILE A 27 2.129 -2.241 1.400 1.00 0.49 H new ATOM 0 HB ILE A 27 3.500 -0.350 1.956 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.460 -2.805 3.467 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.657 -2.515 1.750 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.179 0.193 4.257 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.418 0.323 4.037 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.109 -1.089 4.872 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.724 -2.030 2.963 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.068 -0.547 2.230 1.00 0.96 H new ATOM 0 HD13 ILE A 27 5.869 -0.842 3.974 1.00 0.96 H new ATOM 99 N TRP A 28 2.049 -4.310 2.746 1.00 0.45 N ATOM 100 CA TRP A 28 2.068 -5.533 3.521 1.00 0.48 C ATOM 101 C TRP A 28 3.220 -6.422 3.076 1.00 0.48 C ATOM 102 O TRP A 28 3.125 -7.183 2.110 1.00 0.49 O ATOM 103 CB TRP A 28 0.716 -6.276 3.447 1.00 0.56 C ATOM 104 CG TRP A 28 -0.213 -5.810 2.352 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.779 -4.571 2.218 1.00 1.53 C ATOM 106 CD2 TRP A 28 -0.723 -6.596 1.271 1.00 1.15 C ATOM 107 NE1 TRP A 28 -1.574 -4.531 1.100 1.00 2.09 N ATOM 108 CE2 TRP A 28 -1.563 -5.764 0.506 1.00 1.83 C ATOM 109 CE3 TRP A 28 -0.541 -7.920 0.869 1.00 1.19 C ATOM 110 CZ2 TRP A 28 -2.219 -6.215 -0.636 1.00 2.26 C ATOM 111 CZ3 TRP A 28 -1.198 -8.366 -0.261 1.00 1.61 C ATOM 112 CH2 TRP A 28 -2.026 -7.518 -1.003 1.00 2.06 C ATOM 0 H TRP A 28 2.068 -4.443 1.735 1.00 0.45 H new ATOM 0 HA TRP A 28 2.225 -5.269 4.567 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.911 -7.339 3.308 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.207 -6.167 4.405 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.623 -3.744 2.895 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -2.089 -3.716 0.766 1.00 2.09 H new ATOM 0 HE3 TRP A 28 0.101 -8.583 1.430 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 -2.857 -5.560 -1.211 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 -1.070 -9.390 -0.578 1.00 1.61 H new ATOM 0 HH2 TRP A 28 -2.523 -7.900 -1.883 1.00 2.06 H new ATOM 123 N SER A 29 4.316 -6.291 3.799 1.00 0.50 N ATOM 124 CA SER A 29 5.516 -7.080 3.587 1.00 0.54 C ATOM 125 C SER A 29 6.126 -7.379 4.947 1.00 0.60 C ATOM 126 O SER A 29 5.665 -6.836 5.954 1.00 0.87 O ATOM 127 CB SER A 29 6.513 -6.300 2.722 1.00 0.57 C ATOM 128 OG SER A 29 5.887 -5.795 1.553 1.00 1.29 O ATOM 0 H SER A 29 4.399 -5.621 4.564 1.00 0.50 H new ATOM 0 HA SER A 29 5.272 -8.008 3.070 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.933 -5.476 3.299 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.343 -6.949 2.443 1.00 0.57 H new ATOM 0 HG SER A 29 6.543 -5.300 1.019 1.00 1.29 H new ATOM 134 N ASN A 30 7.145 -8.219 5.009 1.00 0.65 N ATOM 135 CA ASN A 30 7.848 -8.397 6.268 1.00 0.69 C ATOM 136 C ASN A 30 9.353 -8.450 6.047 1.00 0.68 C ATOM 137 O ASN A 30 10.000 -9.485 6.194 1.00 0.75 O ATOM 138 CB ASN A 30 7.346 -9.656 7.002 1.00 0.81 C ATOM 139 CG ASN A 30 7.397 -10.919 6.155 1.00 1.55 C ATOM 140 OD1 ASN A 30 8.373 -11.669 6.187 1.00 2.33 O ATOM 141 ND2 ASN A 30 6.338 -11.167 5.397 1.00 2.23 N ATOM 0 H ASN A 30 7.496 -8.773 4.228 1.00 0.65 H new ATOM 0 HA ASN A 30 7.636 -7.535 6.901 1.00 0.69 H new ATOM 0 HB2 ASN A 30 7.946 -9.806 7.899 1.00 0.81 H new ATOM 0 HB3 ASN A 30 6.320 -9.490 7.329 1.00 0.81 H new ATOM 0 HD21 ASN A 30 6.313 -12.003 4.814 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.548 -10.522 5.397 1.00 2.23 H new ATOM 148 N ASP A 31 9.899 -7.298 5.697 1.00 0.63 N ATOM 149 CA ASP A 31 11.333 -7.078 5.702 1.00 0.64 C ATOM 150 C ASP A 31 11.642 -5.968 6.693 1.00 0.65 C ATOM 151 O ASP A 31 10.819 -5.076 6.894 1.00 0.78 O ATOM 152 CB ASP A 31 11.840 -6.720 4.306 1.00 0.67 C ATOM 153 CG ASP A 31 13.349 -6.600 4.259 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.863 -5.465 4.318 1.00 1.45 O ATOM 155 OD2 ASP A 31 14.030 -7.643 4.170 1.00 1.13 O ATOM 0 H ASP A 31 9.357 -6.486 5.400 1.00 0.63 H new ATOM 0 HA ASP A 31 11.843 -7.994 6.001 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.516 -7.482 3.597 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.392 -5.778 3.989 1.00 0.67 H new ATOM 160 N LYS A 32 12.812 -6.000 7.303 1.00 0.69 N ATOM 161 CA LYS A 32 13.151 -5.006 8.304 1.00 0.77 C ATOM 162 C LYS A 32 13.529 -3.673 7.654 1.00 0.71 C ATOM 163 O LYS A 32 13.195 -2.602 8.168 1.00 0.77 O ATOM 164 CB LYS A 32 14.288 -5.514 9.197 1.00 0.97 C ATOM 165 CG LYS A 32 14.503 -4.696 10.466 1.00 1.52 C ATOM 166 CD LYS A 32 13.565 -5.106 11.603 1.00 2.06 C ATOM 167 CE LYS A 32 12.099 -4.852 11.273 1.00 2.28 C ATOM 168 NZ LYS A 32 11.221 -5.032 12.457 1.00 3.05 N ATOM 0 H LYS A 32 13.537 -6.695 7.126 1.00 0.69 H new ATOM 0 HA LYS A 32 12.271 -4.836 8.924 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.081 -6.547 9.476 1.00 0.97 H new ATOM 0 HB3 LYS A 32 15.213 -5.518 8.620 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.536 -4.809 10.795 1.00 1.52 H new ATOM 0 HG3 LYS A 32 14.354 -3.640 10.241 1.00 1.52 H new ATOM 0 HD2 LYS A 32 13.706 -6.164 11.822 1.00 2.06 H new ATOM 0 HD3 LYS A 32 13.831 -4.555 12.505 1.00 2.06 H new ATOM 0 HE2 LYS A 32 11.985 -3.839 10.888 1.00 2.28 H new ATOM 0 HE3 LYS A 32 11.783 -5.531 10.481 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 10.233 -4.850 12.188 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 11.309 -6.006 12.810 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 11.505 -4.366 13.204 1.00 3.05 H new ATOM 182 N LYS A 33 14.198 -3.732 6.512 1.00 0.71 N ATOM 183 CA LYS A 33 14.644 -2.519 5.844 1.00 0.75 C ATOM 184 C LYS A 33 13.569 -1.981 4.905 1.00 0.64 C ATOM 185 O LYS A 33 13.355 -0.775 4.840 1.00 0.63 O ATOM 186 CB LYS A 33 15.947 -2.760 5.076 1.00 0.94 C ATOM 187 CG LYS A 33 16.483 -1.511 4.395 1.00 1.55 C ATOM 188 CD LYS A 33 17.863 -1.735 3.802 1.00 2.09 C ATOM 189 CE LYS A 33 18.404 -0.469 3.152 1.00 2.72 C ATOM 190 NZ LYS A 33 18.439 0.679 4.099 1.00 3.16 N ATOM 0 H LYS A 33 14.442 -4.598 6.032 1.00 0.71 H new ATOM 0 HA LYS A 33 14.832 -1.771 6.614 1.00 0.75 H new ATOM 0 HB2 LYS A 33 16.701 -3.142 5.764 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.780 -3.532 4.325 1.00 0.94 H new ATOM 0 HG2 LYS A 33 15.795 -1.204 3.607 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.526 -0.695 5.116 1.00 1.55 H new ATOM 0 HD2 LYS A 33 18.547 -2.064 4.584 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.817 -2.534 3.062 1.00 2.09 H new ATOM 0 HE2 LYS A 33 19.409 -0.657 2.775 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.785 -0.210 2.293 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 18.892 1.495 3.639 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 17.468 0.932 4.374 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 18.981 0.414 4.946 1.00 3.16 H new ATOM 204 N LEU A 34 12.886 -2.881 4.197 1.00 0.62 N ATOM 205 CA LEU A 34 11.854 -2.486 3.232 1.00 0.61 C ATOM 206 C LEU A 34 10.815 -1.592 3.909 1.00 0.54 C ATOM 207 O LEU A 34 10.456 -0.536 3.387 1.00 0.61 O ATOM 208 CB LEU A 34 11.195 -3.751 2.633 1.00 0.66 C ATOM 209 CG LEU A 34 10.312 -3.583 1.373 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.014 -4.946 0.765 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.003 -2.878 1.696 1.00 1.59 C ATOM 0 H LEU A 34 13.027 -3.888 4.272 1.00 0.62 H new ATOM 0 HA LEU A 34 12.310 -1.916 2.423 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.988 -4.459 2.393 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.584 -4.209 3.411 1.00 0.66 H new ATOM 0 HG LEU A 34 10.864 -2.969 0.661 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.392 -4.821 -0.121 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.949 -5.433 0.487 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.487 -5.562 1.494 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.410 -2.778 0.787 1.00 1.59 H new ATOM 0 HD22 LEU A 34 8.447 -3.461 2.430 1.00 1.59 H new ATOM 0 HD23 LEU A 34 9.213 -1.889 2.103 1.00 1.59 H new ATOM 223 N ILE A 35 10.358 -2.008 5.085 1.00 0.48 N ATOM 224 CA ILE A 35 9.366 -1.248 5.833 1.00 0.49 C ATOM 225 C ILE A 35 9.935 0.095 6.292 1.00 0.48 C ATOM 226 O ILE A 35 9.251 1.121 6.236 1.00 0.53 O ATOM 227 CB ILE A 35 8.850 -2.049 7.050 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.130 -3.315 6.574 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.924 -1.194 7.909 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.654 -4.209 7.700 1.00 1.01 C ATOM 0 H ILE A 35 10.660 -2.869 5.541 1.00 0.48 H new ATOM 0 HA ILE A 35 8.527 -1.059 5.163 1.00 0.49 H new ATOM 0 HB ILE A 35 9.703 -2.339 7.664 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.273 -3.027 5.965 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.802 -3.883 5.931 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.573 -1.779 8.759 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.466 -0.319 8.269 1.00 0.64 H new ATOM 0 HG23 ILE A 35 7.070 -0.872 7.313 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.155 -5.084 7.284 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.508 -4.529 8.297 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.956 -3.659 8.331 1.00 1.01 H new ATOM 242 N GLU A 36 11.193 0.092 6.726 1.00 0.50 N ATOM 243 CA GLU A 36 11.846 1.318 7.165 1.00 0.53 C ATOM 244 C GLU A 36 11.971 2.300 6.002 1.00 0.48 C ATOM 245 O GLU A 36 11.631 3.479 6.131 1.00 0.51 O ATOM 246 CB GLU A 36 13.232 1.019 7.740 1.00 0.66 C ATOM 247 CG GLU A 36 13.877 2.219 8.414 1.00 1.22 C ATOM 248 CD GLU A 36 15.328 1.984 8.765 1.00 1.73 C ATOM 249 OE1 GLU A 36 16.203 2.649 8.172 1.00 2.62 O ATOM 250 OE2 GLU A 36 15.607 1.133 9.631 1.00 2.01 O ATOM 0 H GLU A 36 11.777 -0.743 6.782 1.00 0.50 H new ATOM 0 HA GLU A 36 11.232 1.766 7.946 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.150 0.206 8.462 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.882 0.669 6.938 1.00 0.66 H new ATOM 0 HG2 GLU A 36 13.803 3.084 7.754 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.323 2.462 9.321 1.00 1.22 H new ATOM 257 N GLU A 37 12.451 1.800 4.866 1.00 0.48 N ATOM 258 CA GLU A 37 12.623 2.619 3.671 1.00 0.51 C ATOM 259 C GLU A 37 11.297 3.221 3.234 1.00 0.44 C ATOM 260 O GLU A 37 11.222 4.400 2.885 1.00 0.48 O ATOM 261 CB GLU A 37 13.197 1.790 2.522 1.00 0.65 C ATOM 262 CG GLU A 37 14.559 1.186 2.811 1.00 0.80 C ATOM 263 CD GLU A 37 15.571 2.206 3.282 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.161 2.003 4.359 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.783 3.218 2.586 1.00 1.55 O ATOM 0 H GLU A 37 12.729 0.826 4.749 1.00 0.48 H new ATOM 0 HA GLU A 37 13.319 3.420 3.920 1.00 0.51 H new ATOM 0 HB2 GLU A 37 12.499 0.987 2.284 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.272 2.420 1.636 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.453 0.411 3.570 1.00 0.80 H new ATOM 0 HG3 GLU A 37 14.933 0.700 1.910 1.00 0.80 H new ATOM 272 N ALA A 38 10.257 2.399 3.261 1.00 0.40 N ATOM 273 CA ALA A 38 8.925 2.832 2.871 1.00 0.42 C ATOM 274 C ALA A 38 8.447 3.987 3.741 1.00 0.39 C ATOM 275 O ALA A 38 7.912 4.975 3.239 1.00 0.42 O ATOM 276 CB ALA A 38 7.948 1.672 2.954 1.00 0.50 C ATOM 0 H ALA A 38 10.313 1.423 3.551 1.00 0.40 H new ATOM 0 HA ALA A 38 8.972 3.182 1.840 1.00 0.42 H new ATOM 0 HB1 ALA A 38 6.955 2.011 2.659 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.272 0.874 2.286 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.915 1.297 3.977 1.00 0.50 H new ATOM 282 N ARG A 39 8.655 3.860 5.044 1.00 0.41 N ATOM 283 CA ARG A 39 8.242 4.890 5.986 1.00 0.50 C ATOM 284 C ARG A 39 9.003 6.185 5.739 1.00 0.46 C ATOM 285 O ARG A 39 8.413 7.262 5.697 1.00 0.52 O ATOM 286 CB ARG A 39 8.472 4.422 7.420 1.00 0.62 C ATOM 287 CG ARG A 39 7.966 5.400 8.469 1.00 1.18 C ATOM 288 CD ARG A 39 8.277 4.906 9.869 1.00 1.43 C ATOM 289 NE ARG A 39 7.742 3.565 10.101 1.00 1.88 N ATOM 290 CZ ARG A 39 8.425 2.576 10.675 1.00 2.58 C ATOM 291 NH1 ARG A 39 9.678 2.770 11.081 1.00 2.84 N ATOM 292 NH2 ARG A 39 7.857 1.389 10.838 1.00 3.48 N ATOM 0 H ARG A 39 9.108 3.053 5.473 1.00 0.41 H new ATOM 0 HA ARG A 39 7.178 5.076 5.838 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.978 3.461 7.563 1.00 0.62 H new ATOM 0 HB3 ARG A 39 9.539 4.258 7.573 1.00 0.62 H new ATOM 0 HG2 ARG A 39 8.426 6.376 8.313 1.00 1.18 H new ATOM 0 HG3 ARG A 39 6.890 5.534 8.358 1.00 1.18 H new ATOM 0 HD2 ARG A 39 9.356 4.898 10.021 1.00 1.43 H new ATOM 0 HD3 ARG A 39 7.857 5.597 10.600 1.00 1.43 H new ATOM 0 HE ARG A 39 6.785 3.375 9.804 1.00 1.88 H new ATOM 0 HH11 ARG A 39 10.120 3.680 10.953 1.00 2.84 H new ATOM 0 HH12 ARG A 39 10.196 2.008 11.520 1.00 2.84 H new ATOM 0 HH21 ARG A 39 6.899 1.235 10.524 1.00 3.48 H new ATOM 0 HH22 ARG A 39 8.378 0.630 11.277 1.00 3.48 H new ATOM 306 N LYS A 40 10.310 6.068 5.554 1.00 0.45 N ATOM 307 CA LYS A 40 11.160 7.232 5.351 1.00 0.49 C ATOM 308 C LYS A 40 10.819 7.939 4.040 1.00 0.42 C ATOM 309 O LYS A 40 10.905 9.163 3.947 1.00 0.47 O ATOM 310 CB LYS A 40 12.635 6.822 5.386 1.00 0.62 C ATOM 311 CG LYS A 40 13.061 6.263 6.738 1.00 1.06 C ATOM 312 CD LYS A 40 14.522 5.837 6.757 1.00 1.58 C ATOM 313 CE LYS A 40 14.798 4.722 5.761 1.00 2.12 C ATOM 314 NZ LYS A 40 16.149 4.129 5.947 1.00 2.95 N ATOM 0 H LYS A 40 10.806 5.177 5.540 1.00 0.45 H new ATOM 0 HA LYS A 40 10.978 7.937 6.162 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.818 6.074 4.615 1.00 0.62 H new ATOM 0 HB3 LYS A 40 13.253 7.686 5.144 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.895 7.017 7.508 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.433 5.408 6.988 1.00 1.06 H new ATOM 0 HD2 LYS A 40 15.154 6.695 6.527 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.790 5.504 7.759 1.00 1.58 H new ATOM 0 HE2 LYS A 40 14.043 3.944 5.870 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.710 5.112 4.747 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 16.228 3.260 5.381 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 16.872 4.810 5.638 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 16.293 3.902 6.952 1.00 2.95 H new ATOM 328 N MET A 41 10.423 7.167 3.034 1.00 0.39 N ATOM 329 CA MET A 41 9.972 7.739 1.770 1.00 0.41 C ATOM 330 C MET A 41 8.612 8.397 1.930 1.00 0.42 C ATOM 331 O MET A 41 8.337 9.437 1.327 1.00 0.52 O ATOM 332 CB MET A 41 9.908 6.672 0.679 1.00 0.48 C ATOM 333 CG MET A 41 11.192 6.549 -0.115 1.00 0.69 C ATOM 334 SD MET A 41 11.596 8.067 -1.002 1.00 1.10 S ATOM 335 CE MET A 41 13.091 7.571 -1.850 1.00 1.55 C ATOM 0 H MET A 41 10.405 6.148 3.068 1.00 0.39 H new ATOM 0 HA MET A 41 10.696 8.497 1.473 1.00 0.41 H new ATOM 0 HB2 MET A 41 9.677 5.709 1.135 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.089 6.907 -0.001 1.00 0.48 H new ATOM 0 HG2 MET A 41 12.010 6.296 0.559 1.00 0.69 H new ATOM 0 HG3 MET A 41 11.099 5.729 -0.827 1.00 0.69 H new ATOM 0 HE1 MET A 41 13.581 8.450 -2.268 1.00 1.55 H new ATOM 0 HE2 MET A 41 13.764 7.082 -1.146 1.00 1.55 H new ATOM 0 HE3 MET A 41 12.841 6.878 -2.654 1.00 1.55 H new ATOM 345 N ALA A 42 7.768 7.793 2.755 1.00 0.40 N ATOM 346 CA ALA A 42 6.442 8.330 3.015 1.00 0.49 C ATOM 347 C ALA A 42 6.533 9.683 3.704 1.00 0.51 C ATOM 348 O ALA A 42 5.717 10.568 3.461 1.00 0.59 O ATOM 349 CB ALA A 42 5.626 7.360 3.853 1.00 0.58 C ATOM 0 H ALA A 42 7.979 6.930 3.256 1.00 0.40 H new ATOM 0 HA ALA A 42 5.938 8.467 2.058 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.637 7.780 4.037 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.525 6.415 3.320 1.00 0.58 H new ATOM 0 HB3 ALA A 42 6.130 7.188 4.804 1.00 0.58 H new ATOM 355 N GLU A 43 7.545 9.843 4.549 1.00 0.50 N ATOM 356 CA GLU A 43 7.752 11.095 5.264 1.00 0.60 C ATOM 357 C GLU A 43 8.381 12.146 4.350 1.00 0.62 C ATOM 358 O GLU A 43 8.417 13.332 4.680 1.00 0.73 O ATOM 359 CB GLU A 43 8.635 10.864 6.494 1.00 0.67 C ATOM 360 CG GLU A 43 8.086 9.804 7.437 1.00 0.97 C ATOM 361 CD GLU A 43 8.861 9.707 8.735 1.00 1.62 C ATOM 362 OE1 GLU A 43 8.356 10.197 9.767 1.00 2.16 O ATOM 363 OE2 GLU A 43 9.975 9.140 8.736 1.00 2.38 O ATOM 0 H GLU A 43 8.235 9.121 4.755 1.00 0.50 H new ATOM 0 HA GLU A 43 6.781 11.465 5.592 1.00 0.60 H new ATOM 0 HB2 GLU A 43 9.632 10.569 6.167 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.743 11.803 7.037 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.043 10.029 7.659 1.00 0.97 H new ATOM 0 HG3 GLU A 43 8.104 8.836 6.936 1.00 0.97 H new ATOM 370 N LYS A 44 8.888 11.706 3.205 1.00 0.58 N ATOM 371 CA LYS A 44 9.478 12.621 2.235 1.00 0.66 C ATOM 372 C LYS A 44 8.446 13.117 1.229 1.00 0.66 C ATOM 373 O LYS A 44 8.313 14.323 1.010 1.00 0.70 O ATOM 374 CB LYS A 44 10.645 11.955 1.508 1.00 0.76 C ATOM 375 CG LYS A 44 11.852 11.726 2.399 1.00 1.29 C ATOM 376 CD LYS A 44 12.980 11.034 1.656 1.00 1.69 C ATOM 377 CE LYS A 44 14.202 10.870 2.542 1.00 2.09 C ATOM 378 NZ LYS A 44 13.890 10.109 3.782 1.00 2.20 N ATOM 0 H LYS A 44 8.903 10.725 2.926 1.00 0.58 H new ATOM 0 HA LYS A 44 9.850 13.485 2.786 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.314 10.999 1.103 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.939 12.575 0.661 1.00 0.76 H new ATOM 0 HG2 LYS A 44 12.205 12.682 2.786 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.560 11.123 3.259 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.645 10.056 1.310 1.00 1.69 H new ATOM 0 HD3 LYS A 44 13.244 11.612 0.771 1.00 1.69 H new ATOM 0 HE2 LYS A 44 14.986 10.355 1.987 1.00 2.09 H new ATOM 0 HE3 LYS A 44 14.592 11.852 2.807 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.633 9.401 3.951 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 13.846 10.763 4.589 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 12.973 9.630 3.674 1.00 2.20 H new ATOM 392 N ALA A 45 7.712 12.195 0.623 1.00 0.67 N ATOM 393 CA ALA A 45 6.755 12.558 -0.414 1.00 0.74 C ATOM 394 C ALA A 45 5.337 12.699 0.146 1.00 0.73 C ATOM 395 O ALA A 45 4.380 12.901 -0.603 1.00 0.81 O ATOM 396 CB ALA A 45 6.802 11.548 -1.546 1.00 0.82 C ATOM 0 H ALA A 45 7.759 11.197 0.829 1.00 0.67 H new ATOM 0 HA ALA A 45 7.038 13.534 -0.808 1.00 0.74 H new ATOM 0 HB1 ALA A 45 6.083 11.830 -2.315 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.804 11.529 -1.975 1.00 0.82 H new ATOM 0 HB3 ALA A 45 6.553 10.559 -1.162 1.00 0.82 H new ATOM 402 N ASN A 46 5.223 12.571 1.468 1.00 0.69 N ATOM 403 CA ASN A 46 3.979 12.854 2.200 1.00 0.72 C ATOM 404 C ASN A 46 2.900 11.813 1.928 1.00 0.67 C ATOM 405 O ASN A 46 1.786 12.146 1.520 1.00 0.84 O ATOM 406 CB ASN A 46 3.443 14.255 1.866 1.00 0.87 C ATOM 407 CG ASN A 46 4.269 15.369 2.478 1.00 1.46 C ATOM 408 OD1 ASN A 46 5.474 15.229 2.690 1.00 2.13 O ATOM 409 ND2 ASN A 46 3.627 16.490 2.758 1.00 2.13 N ATOM 0 H ASN A 46 5.991 12.267 2.067 1.00 0.69 H new ATOM 0 HA ASN A 46 4.229 12.811 3.260 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.420 14.380 0.783 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.415 14.338 2.218 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.131 17.278 3.165 1.00 2.13 H new ATOM 0 HD22 ASN A 46 2.628 16.567 2.567 1.00 2.13 H new ATOM 416 N LEU A 47 3.222 10.554 2.177 1.00 0.51 N ATOM 417 CA LEU A 47 2.272 9.472 1.962 1.00 0.51 C ATOM 418 C LEU A 47 1.711 8.977 3.277 1.00 0.46 C ATOM 419 O LEU A 47 2.312 9.165 4.335 1.00 0.56 O ATOM 420 CB LEU A 47 2.910 8.284 1.234 1.00 0.58 C ATOM 421 CG LEU A 47 3.310 8.521 -0.220 1.00 0.69 C ATOM 422 CD1 LEU A 47 2.164 9.141 -1.000 1.00 1.00 C ATOM 423 CD2 LEU A 47 4.557 9.377 -0.304 1.00 1.18 C ATOM 0 H LEU A 47 4.132 10.255 2.528 1.00 0.51 H new ATOM 0 HA LEU A 47 1.474 9.882 1.343 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.798 7.979 1.788 1.00 0.58 H new ATOM 0 HB3 LEU A 47 2.212 7.448 1.265 1.00 0.58 H new ATOM 0 HG LEU A 47 3.538 7.556 -0.672 1.00 0.69 H new ATOM 0 HD11 LEU A 47 2.472 9.301 -2.033 1.00 1.00 H new ATOM 0 HD12 LEU A 47 1.304 8.472 -0.977 1.00 1.00 H new ATOM 0 HD13 LEU A 47 1.893 10.096 -0.550 1.00 1.00 H new ATOM 0 HD21 LEU A 47 4.822 9.532 -1.350 1.00 1.18 H new ATOM 0 HD22 LEU A 47 4.369 10.341 0.169 1.00 1.18 H new ATOM 0 HD23 LEU A 47 5.378 8.875 0.208 1.00 1.18 H new ATOM 435 N TYR A 48 0.559 8.346 3.199 1.00 0.49 N ATOM 436 CA TYR A 48 -0.037 7.703 4.350 1.00 0.54 C ATOM 437 C TYR A 48 -0.057 6.202 4.118 1.00 0.46 C ATOM 438 O TYR A 48 -0.784 5.710 3.253 1.00 0.58 O ATOM 439 CB TYR A 48 -1.452 8.231 4.588 1.00 0.64 C ATOM 440 CG TYR A 48 -1.503 9.730 4.784 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.884 10.572 3.747 1.00 1.51 C ATOM 442 CD2 TYR A 48 -1.155 10.302 6.000 1.00 1.31 C ATOM 443 CE1 TYR A 48 -1.918 11.941 3.918 1.00 1.61 C ATOM 444 CE2 TYR A 48 -1.188 11.671 6.178 1.00 1.43 C ATOM 445 CZ TYR A 48 -1.571 12.486 5.136 1.00 1.09 C ATOM 446 OH TYR A 48 -1.604 13.850 5.310 1.00 1.28 O ATOM 0 H TYR A 48 0.012 8.264 2.342 1.00 0.49 H new ATOM 0 HA TYR A 48 0.554 7.926 5.239 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.081 7.960 3.740 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.873 7.742 5.466 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.158 10.149 2.792 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -0.854 9.666 6.820 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -2.215 12.582 3.102 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -0.915 12.101 7.130 1.00 1.43 H new ATOM 0 HH TYR A 48 -1.332 14.070 6.226 1.00 1.28 H new ATOM 456 N LEU A 49 0.763 5.482 4.864 1.00 0.46 N ATOM 457 CA LEU A 49 0.867 4.044 4.687 1.00 0.46 C ATOM 458 C LEU A 49 0.316 3.295 5.888 1.00 0.50 C ATOM 459 O LEU A 49 0.409 3.760 7.026 1.00 0.61 O ATOM 460 CB LEU A 49 2.309 3.597 4.357 1.00 0.66 C ATOM 461 CG LEU A 49 3.469 4.317 5.073 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.392 4.160 6.585 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.801 3.780 4.569 1.00 1.35 C ATOM 0 H LEU A 49 1.363 5.867 5.594 1.00 0.46 H new ATOM 0 HA LEU A 49 0.252 3.788 3.825 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.388 2.533 4.579 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.457 3.711 3.283 1.00 0.66 H new ATOM 0 HG LEU A 49 3.386 5.380 4.845 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.229 4.683 7.048 1.00 1.76 H new ATOM 0 HD12 LEU A 49 2.455 4.582 6.947 1.00 1.76 H new ATOM 0 HD13 LEU A 49 3.437 3.102 6.844 1.00 1.76 H new ATOM 0 HD21 LEU A 49 5.616 4.293 5.079 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.862 2.711 4.771 1.00 1.35 H new ATOM 0 HD23 LEU A 49 4.880 3.951 3.495 1.00 1.35 H new ATOM 475 N LEU A 50 -0.285 2.149 5.619 1.00 0.52 N ATOM 476 CA LEU A 50 -0.890 1.341 6.662 1.00 0.63 C ATOM 477 C LEU A 50 -0.454 -0.108 6.544 1.00 0.69 C ATOM 478 O LEU A 50 -0.160 -0.597 5.450 1.00 0.69 O ATOM 479 CB LEU A 50 -2.420 1.397 6.597 1.00 0.77 C ATOM 480 CG LEU A 50 -3.064 2.746 6.921 1.00 0.81 C ATOM 481 CD1 LEU A 50 -3.081 3.653 5.699 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.469 2.532 7.456 1.00 1.48 C ATOM 0 H LEU A 50 -0.367 1.756 4.681 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.556 1.752 7.615 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.731 1.102 5.595 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.819 0.653 7.287 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.467 3.240 7.688 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.544 4.605 5.959 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -2.060 3.827 5.361 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.651 3.178 4.901 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.922 3.497 7.685 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -5.070 2.018 6.706 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -4.425 1.928 8.362 1.00 1.48 H new ATOM 494 N THR A 51 -0.406 -0.778 7.681 1.00 0.85 N ATOM 495 CA THR A 51 -0.192 -2.210 7.720 1.00 1.00 C ATOM 496 C THR A 51 -1.549 -2.914 7.662 1.00 1.38 C ATOM 497 O THR A 51 -2.565 -2.352 8.085 1.00 2.04 O ATOM 498 CB THR A 51 0.587 -2.635 8.987 1.00 1.42 C ATOM 499 OG1 THR A 51 0.897 -4.033 8.928 1.00 1.86 O ATOM 500 CG2 THR A 51 -0.204 -2.339 10.254 1.00 2.07 C ATOM 0 H THR A 51 -0.514 -0.346 8.599 1.00 0.85 H new ATOM 0 HA THR A 51 0.413 -2.499 6.861 1.00 1.00 H new ATOM 0 HB THR A 51 1.510 -2.056 9.019 1.00 1.42 H new ATOM 0 HG1 THR A 51 1.392 -4.293 9.733 1.00 1.86 H new ATOM 0 HG21 THR A 51 0.373 -2.650 11.124 1.00 2.07 H new ATOM 0 HG22 THR A 51 -0.405 -1.270 10.316 1.00 2.07 H new ATOM 0 HG23 THR A 51 -1.147 -2.885 10.230 1.00 2.07 H new ATOM 508 N LEU A 52 -1.575 -4.128 7.135 1.00 1.17 N ATOM 509 CA LEU A 52 -2.841 -4.808 6.885 1.00 1.66 C ATOM 510 C LEU A 52 -3.249 -5.652 8.089 1.00 1.10 C ATOM 511 O LEU A 52 -2.596 -6.641 8.427 1.00 1.25 O ATOM 512 CB LEU A 52 -2.746 -5.694 5.633 1.00 2.63 C ATOM 513 CG LEU A 52 -4.019 -5.773 4.778 1.00 2.95 C ATOM 514 CD1 LEU A 52 -3.773 -6.621 3.541 1.00 3.41 C ATOM 515 CD2 LEU A 52 -5.188 -6.335 5.576 1.00 3.43 C ATOM 0 H LEU A 52 -0.745 -4.660 6.874 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.602 -4.046 6.718 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.933 -5.324 5.009 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -2.475 -6.703 5.944 1.00 2.63 H new ATOM 0 HG LEU A 52 -4.277 -4.760 4.469 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.684 -6.668 2.945 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -2.974 -6.176 2.948 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.484 -7.628 3.842 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -6.074 -6.378 4.942 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.942 -7.338 5.924 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -5.386 -5.692 6.433 1.00 3.43 H new ATOM 527 N GLU A 53 -4.324 -5.228 8.739 1.00 1.35 N ATOM 528 CA GLU A 53 -4.908 -5.966 9.851 1.00 1.60 C ATOM 529 C GLU A 53 -6.367 -5.552 10.003 1.00 1.84 C ATOM 530 O GLU A 53 -7.282 -6.359 9.826 1.00 2.34 O ATOM 531 CB GLU A 53 -4.139 -5.703 11.153 1.00 2.04 C ATOM 532 CG GLU A 53 -4.550 -6.611 12.299 1.00 2.24 C ATOM 533 CD GLU A 53 -4.289 -8.071 11.993 1.00 2.43 C ATOM 534 OE1 GLU A 53 -3.181 -8.558 12.293 1.00 2.97 O ATOM 535 OE2 GLU A 53 -5.188 -8.736 11.437 1.00 2.75 O ATOM 0 H GLU A 53 -4.816 -4.364 8.511 1.00 1.35 H new ATOM 0 HA GLU A 53 -4.846 -7.034 9.643 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.072 -5.828 10.966 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.291 -4.665 11.451 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -4.005 -6.327 13.199 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -5.610 -6.470 12.510 1.00 2.24 H new ATOM 542 N THR A 54 -6.573 -4.283 10.316 1.00 1.76 N ATOM 543 CA THR A 54 -7.902 -3.703 10.343 1.00 1.96 C ATOM 544 C THR A 54 -8.059 -2.737 9.173 1.00 1.44 C ATOM 545 O THR A 54 -7.484 -1.647 9.176 1.00 1.41 O ATOM 546 CB THR A 54 -8.145 -2.962 11.672 1.00 2.58 C ATOM 547 OG1 THR A 54 -6.999 -2.164 12.001 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.432 -3.945 12.798 1.00 3.30 C ATOM 0 H THR A 54 -5.827 -3.631 10.557 1.00 1.76 H new ATOM 0 HA THR A 54 -8.637 -4.503 10.257 1.00 1.96 H new ATOM 0 HB THR A 54 -9.015 -2.316 11.551 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.700 -1.677 11.205 1.00 2.85 H new ATOM 0 HG21 THR A 54 -8.600 -3.397 13.725 1.00 3.30 H new ATOM 0 HG22 THR A 54 -9.321 -4.528 12.555 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.581 -4.615 12.922 1.00 3.30 H new ATOM 556 N ASP A 55 -8.837 -3.135 8.179 1.00 1.58 N ATOM 557 CA ASP A 55 -8.937 -2.367 6.942 1.00 1.57 C ATOM 558 C ASP A 55 -10.054 -1.337 7.005 1.00 1.40 C ATOM 559 O ASP A 55 -9.946 -0.260 6.423 1.00 1.25 O ATOM 560 CB ASP A 55 -9.156 -3.306 5.739 1.00 2.38 C ATOM 561 CG ASP A 55 -10.407 -4.152 5.867 1.00 3.04 C ATOM 562 OD1 ASP A 55 -11.375 -3.919 5.115 1.00 3.66 O ATOM 563 OD2 ASP A 55 -10.422 -5.074 6.709 1.00 3.51 O ATOM 0 H ASP A 55 -9.407 -3.981 8.201 1.00 1.58 H new ATOM 0 HA ASP A 55 -7.995 -1.833 6.815 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -9.218 -2.711 4.828 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -8.291 -3.961 5.634 1.00 2.38 H new ATOM 568 N ASP A 56 -11.118 -1.657 7.715 1.00 1.62 N ATOM 569 CA ASP A 56 -12.277 -0.768 7.763 1.00 1.72 C ATOM 570 C ASP A 56 -12.012 0.418 8.678 1.00 1.47 C ATOM 571 O ASP A 56 -12.244 1.564 8.305 1.00 1.48 O ATOM 572 CB ASP A 56 -13.536 -1.508 8.231 1.00 2.15 C ATOM 573 CG ASP A 56 -14.786 -0.678 8.033 1.00 2.43 C ATOM 574 OD1 ASP A 56 -15.269 -0.072 9.012 1.00 2.98 O ATOM 575 OD2 ASP A 56 -15.295 -0.625 6.896 1.00 2.88 O ATOM 0 H ASP A 56 -11.211 -2.513 8.262 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.447 -0.407 6.749 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.632 -2.445 7.682 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.435 -1.766 9.285 1.00 2.15 H new ATOM 580 N LYS A 57 -11.498 0.131 9.861 1.00 1.39 N ATOM 581 CA LYS A 57 -11.320 1.145 10.888 1.00 1.42 C ATOM 582 C LYS A 57 -10.262 2.176 10.496 1.00 1.20 C ATOM 583 O LYS A 57 -10.517 3.380 10.523 1.00 1.27 O ATOM 584 CB LYS A 57 -10.944 0.478 12.213 1.00 1.57 C ATOM 585 CG LYS A 57 -10.817 1.447 13.376 1.00 1.98 C ATOM 586 CD LYS A 57 -10.555 0.716 14.683 1.00 2.71 C ATOM 587 CE LYS A 57 -10.459 1.682 15.854 1.00 3.40 C ATOM 588 NZ LYS A 57 -11.685 2.513 15.996 1.00 4.03 N ATOM 0 H LYS A 57 -11.194 -0.803 10.136 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.265 1.676 11.000 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -11.697 -0.271 12.458 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -9.998 -0.049 12.087 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -10.005 2.148 13.180 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.731 2.035 13.463 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -11.355 -0.001 14.866 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -9.629 0.147 14.603 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -10.293 1.121 16.774 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -9.595 2.332 15.717 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -11.691 2.966 16.932 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -11.696 3.245 15.257 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -12.527 1.910 15.898 1.00 4.03 H new ATOM 602 N LYS A 58 -9.081 1.706 10.127 1.00 1.07 N ATOM 603 CA LYS A 58 -7.955 2.602 9.899 1.00 1.04 C ATOM 604 C LYS A 58 -7.937 3.158 8.477 1.00 0.88 C ATOM 605 O LYS A 58 -7.871 4.372 8.286 1.00 0.87 O ATOM 606 CB LYS A 58 -6.638 1.887 10.207 1.00 1.18 C ATOM 607 CG LYS A 58 -6.507 1.463 11.659 1.00 1.64 C ATOM 608 CD LYS A 58 -5.136 0.874 11.952 1.00 2.25 C ATOM 609 CE LYS A 58 -5.007 0.478 13.413 1.00 2.61 C ATOM 610 NZ LYS A 58 -3.665 -0.075 13.731 1.00 2.99 N ATOM 0 H LYS A 58 -8.876 0.718 9.980 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.073 3.449 10.575 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.554 1.006 9.570 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.808 2.545 9.952 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -6.679 2.323 12.306 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -7.277 0.728 11.894 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -4.970 0.001 11.320 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -4.364 1.601 11.700 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -5.197 1.348 14.041 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -5.769 -0.262 13.655 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -3.625 -0.331 14.738 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -3.492 -0.921 13.152 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -2.938 0.639 13.526 1.00 2.99 H new ATOM 624 N ILE A 59 -8.010 2.273 7.487 1.00 0.83 N ATOM 625 CA ILE A 59 -7.885 2.683 6.088 1.00 0.80 C ATOM 626 C ILE A 59 -8.974 3.680 5.701 1.00 0.74 C ATOM 627 O ILE A 59 -8.688 4.726 5.117 1.00 0.78 O ATOM 628 CB ILE A 59 -7.935 1.468 5.128 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.769 0.514 5.412 1.00 1.12 C ATOM 630 CG2 ILE A 59 -7.911 1.921 3.670 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.806 -0.755 4.589 1.00 1.33 C ATOM 0 H ILE A 59 -8.154 1.273 7.624 1.00 0.83 H new ATOM 0 HA ILE A 59 -6.912 3.164 5.991 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.871 0.937 5.302 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -5.831 1.034 5.219 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.776 0.251 6.470 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -7.947 1.049 3.017 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -8.773 2.558 3.473 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -6.995 2.480 3.478 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.950 -1.380 4.845 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.727 -1.298 4.799 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.767 -0.503 3.529 1.00 1.33 H new ATOM 643 N GLU A 60 -10.217 3.368 6.051 1.00 0.77 N ATOM 644 CA GLU A 60 -11.342 4.216 5.684 1.00 0.87 C ATOM 645 C GLU A 60 -11.270 5.563 6.402 1.00 0.85 C ATOM 646 O GLU A 60 -11.564 6.603 5.809 1.00 0.94 O ATOM 647 CB GLU A 60 -12.666 3.508 5.984 1.00 1.04 C ATOM 648 CG GLU A 60 -13.895 4.321 5.614 1.00 1.32 C ATOM 649 CD GLU A 60 -15.165 3.498 5.617 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.794 3.352 6.687 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.550 2.997 4.541 1.00 2.01 O ATOM 0 H GLU A 60 -10.469 2.537 6.586 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.290 4.407 4.612 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.692 2.562 5.443 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.707 3.269 7.047 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.002 5.149 6.315 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -13.752 4.757 4.625 1.00 1.32 H new ATOM 658 N ASP A 61 -10.853 5.546 7.665 1.00 0.82 N ATOM 659 CA ASP A 61 -10.734 6.778 8.443 1.00 0.88 C ATOM 660 C ASP A 61 -9.720 7.722 7.809 1.00 0.79 C ATOM 661 O ASP A 61 -9.995 8.912 7.614 1.00 0.83 O ATOM 662 CB ASP A 61 -10.315 6.473 9.881 1.00 0.99 C ATOM 663 CG ASP A 61 -10.282 7.716 10.748 1.00 1.55 C ATOM 664 OD1 ASP A 61 -9.214 8.358 10.843 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.328 8.055 11.346 1.00 2.05 O ATOM 0 H ASP A 61 -10.593 4.699 8.170 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.712 7.260 8.452 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -11.007 5.750 10.313 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.329 6.008 9.879 1.00 0.99 H new ATOM 670 N ILE A 62 -8.553 7.185 7.477 1.00 0.72 N ATOM 671 CA ILE A 62 -7.496 7.978 6.867 1.00 0.69 C ATOM 672 C ILE A 62 -7.898 8.443 5.471 1.00 0.68 C ATOM 673 O ILE A 62 -7.666 9.591 5.110 1.00 0.73 O ATOM 674 CB ILE A 62 -6.160 7.202 6.802 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.683 6.874 8.221 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.104 8.006 6.050 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.335 6.187 8.271 1.00 0.93 C ATOM 0 H ILE A 62 -8.315 6.203 7.620 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.348 8.852 7.501 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.320 6.270 6.259 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.631 7.797 8.799 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.423 6.236 8.704 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.172 7.441 6.016 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.449 8.199 5.034 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -4.936 8.954 6.562 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.066 5.988 9.308 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.385 5.247 7.722 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.581 6.831 7.818 1.00 0.93 H new ATOM 689 N LEU A 63 -8.523 7.558 4.701 1.00 0.68 N ATOM 690 CA LEU A 63 -8.994 7.905 3.359 1.00 0.76 C ATOM 691 C LEU A 63 -9.951 9.095 3.433 1.00 0.84 C ATOM 692 O LEU A 63 -9.838 10.051 2.663 1.00 0.94 O ATOM 693 CB LEU A 63 -9.710 6.707 2.714 1.00 0.85 C ATOM 694 CG LEU A 63 -9.566 6.589 1.187 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.972 5.201 0.709 1.00 1.57 C ATOM 696 CD2 LEU A 63 -10.402 7.646 0.481 1.00 1.89 C ATOM 0 H LEU A 63 -8.716 6.596 4.980 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.132 8.171 2.748 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.330 5.792 3.168 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.771 6.767 2.957 1.00 0.85 H new ATOM 0 HG LEU A 63 -8.517 6.750 0.939 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -9.862 5.142 -0.374 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -9.334 4.453 1.180 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -11.011 5.013 0.978 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -10.284 7.543 -0.598 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -11.451 7.516 0.745 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -10.070 8.638 0.789 1.00 1.89 H new ATOM 708 N LYS A 64 -10.875 9.042 4.389 1.00 0.89 N ATOM 709 CA LYS A 64 -11.851 10.112 4.578 1.00 1.05 C ATOM 710 C LYS A 64 -11.190 11.398 5.067 1.00 1.03 C ATOM 711 O LYS A 64 -11.811 12.462 5.069 1.00 1.13 O ATOM 712 CB LYS A 64 -12.933 9.678 5.567 1.00 1.22 C ATOM 713 CG LYS A 64 -13.879 8.622 5.020 1.00 1.64 C ATOM 714 CD LYS A 64 -14.939 8.252 6.043 1.00 2.17 C ATOM 715 CE LYS A 64 -15.933 7.245 5.488 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.680 7.775 4.315 1.00 3.41 N ATOM 0 H LYS A 64 -10.968 8.268 5.046 1.00 0.89 H new ATOM 0 HA LYS A 64 -12.306 10.313 3.608 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -12.455 9.292 6.467 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.512 10.552 5.863 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.358 8.993 4.114 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -13.314 7.733 4.740 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -14.459 7.838 6.930 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -15.470 9.151 6.358 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -15.404 6.337 5.199 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.639 6.967 6.270 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -17.498 7.163 4.119 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.010 8.739 4.521 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.054 7.793 3.484 1.00 3.41 H new ATOM 730 N SER A 65 -9.932 11.298 5.478 1.00 0.97 N ATOM 731 CA SER A 65 -9.191 12.458 5.946 1.00 1.06 C ATOM 732 C SER A 65 -8.691 13.286 4.762 1.00 1.03 C ATOM 733 O SER A 65 -8.502 14.498 4.879 1.00 1.13 O ATOM 734 CB SER A 65 -8.016 12.024 6.827 1.00 1.18 C ATOM 735 OG SER A 65 -8.454 11.199 7.897 1.00 1.65 O ATOM 0 H SER A 65 -9.405 10.425 5.496 1.00 0.97 H new ATOM 0 HA SER A 65 -9.861 13.077 6.543 1.00 1.06 H new ATOM 0 HB2 SER A 65 -7.286 11.485 6.224 1.00 1.18 H new ATOM 0 HB3 SER A 65 -7.512 12.905 7.226 1.00 1.18 H new ATOM 0 HG SER A 65 -8.901 10.405 7.536 1.00 1.65 H new ATOM 741 N LEU A 66 -8.475 12.629 3.620 1.00 0.97 N ATOM 742 CA LEU A 66 -8.044 13.337 2.415 1.00 1.05 C ATOM 743 C LEU A 66 -9.218 14.049 1.741 1.00 1.20 C ATOM 744 O LEU A 66 -9.087 15.195 1.311 1.00 1.55 O ATOM 745 CB LEU A 66 -7.386 12.387 1.397 1.00 1.00 C ATOM 746 CG LEU A 66 -6.063 11.725 1.821 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.205 12.686 2.618 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.298 10.443 2.604 1.00 1.38 C ATOM 0 H LEU A 66 -8.590 11.622 3.505 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.308 14.074 2.737 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.099 11.598 1.158 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.208 12.945 0.478 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.529 11.461 0.908 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.276 12.193 2.905 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -4.978 13.561 2.010 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -5.743 12.996 3.514 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.339 10.007 2.884 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.872 10.666 3.503 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -6.851 9.736 1.986 1.00 1.38 H new ATOM 760 N GLY A 67 -10.363 13.375 1.657 1.00 1.07 N ATOM 761 CA GLY A 67 -11.528 13.968 1.028 1.00 1.26 C ATOM 762 C GLY A 67 -11.935 13.238 -0.240 1.00 1.22 C ATOM 763 O GLY A 67 -12.778 12.341 -0.196 1.00 1.28 O ATOM 0 H GLY A 67 -10.503 12.430 2.014 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.361 13.961 1.731 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.319 15.011 0.792 1.00 1.26 H new ATOM 767 N PRO A 68 -11.349 13.604 -1.393 1.00 1.24 N ATOM 768 CA PRO A 68 -11.633 12.954 -2.682 1.00 1.29 C ATOM 769 C PRO A 68 -11.252 11.473 -2.686 1.00 1.15 C ATOM 770 O PRO A 68 -10.444 11.034 -1.868 1.00 0.99 O ATOM 771 CB PRO A 68 -10.751 13.723 -3.675 1.00 1.41 C ATOM 772 CG PRO A 68 -9.704 14.376 -2.843 1.00 1.56 C ATOM 773 CD PRO A 68 -10.366 14.689 -1.536 1.00 1.35 C ATOM 0 HA PRO A 68 -12.697 12.981 -2.919 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -10.308 13.051 -4.410 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -11.332 14.461 -4.228 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -8.848 13.716 -2.701 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -9.332 15.282 -3.321 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -9.651 14.696 -0.713 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -10.845 15.668 -1.551 1.00 1.35 H new ATOM 781 N PRO A 69 -11.855 10.682 -3.596 1.00 1.30 N ATOM 782 CA PRO A 69 -11.509 9.264 -3.778 1.00 1.26 C ATOM 783 C PRO A 69 -10.026 9.080 -4.099 1.00 1.05 C ATOM 784 O PRO A 69 -9.595 9.243 -5.245 1.00 1.17 O ATOM 785 CB PRO A 69 -12.376 8.833 -4.980 1.00 1.53 C ATOM 786 CG PRO A 69 -13.512 9.796 -4.985 1.00 1.89 C ATOM 787 CD PRO A 69 -12.946 11.098 -4.497 1.00 1.58 C ATOM 0 HA PRO A 69 -11.689 8.677 -2.878 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.813 8.879 -5.912 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.726 7.807 -4.869 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -13.930 9.902 -5.986 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -14.319 9.453 -4.337 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -12.576 11.709 -5.320 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -13.696 11.690 -3.973 1.00 1.58 H new ATOM 795 N VAL A 70 -9.262 8.732 -3.075 1.00 0.85 N ATOM 796 CA VAL A 70 -7.819 8.596 -3.190 1.00 0.67 C ATOM 797 C VAL A 70 -7.446 7.297 -3.898 1.00 0.60 C ATOM 798 O VAL A 70 -8.112 6.276 -3.733 1.00 0.66 O ATOM 799 CB VAL A 70 -7.161 8.636 -1.793 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.648 8.554 -1.894 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.573 9.894 -1.051 1.00 1.08 C ATOM 0 H VAL A 70 -9.625 8.536 -2.142 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.451 9.433 -3.784 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.508 7.767 -1.234 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.214 8.585 -0.894 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.366 7.622 -2.384 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.276 9.397 -2.477 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.101 9.908 -0.068 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.257 10.770 -1.617 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.657 9.909 -0.934 1.00 1.08 H new ATOM 811 N LYS A 71 -6.388 7.350 -4.696 1.00 0.55 N ATOM 812 CA LYS A 71 -5.914 6.175 -5.412 1.00 0.54 C ATOM 813 C LYS A 71 -5.108 5.293 -4.467 1.00 0.43 C ATOM 814 O LYS A 71 -4.165 5.759 -3.821 1.00 0.41 O ATOM 815 CB LYS A 71 -5.064 6.586 -6.620 1.00 0.65 C ATOM 816 CG LYS A 71 -5.695 7.688 -7.463 1.00 1.27 C ATOM 817 CD LYS A 71 -7.107 7.329 -7.905 1.00 1.74 C ATOM 818 CE LYS A 71 -7.808 8.514 -8.550 1.00 2.14 C ATOM 819 NZ LYS A 71 -7.998 9.643 -7.596 1.00 2.53 N ATOM 0 H LYS A 71 -5.842 8.195 -4.863 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.772 5.613 -5.779 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -4.088 6.922 -6.270 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.894 5.712 -7.248 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -5.719 8.615 -6.889 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.076 7.873 -8.341 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -7.068 6.500 -8.611 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -7.683 6.989 -7.045 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -7.226 8.857 -9.405 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -8.778 8.196 -8.932 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -8.664 10.332 -8.001 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -8.379 9.279 -6.699 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -7.084 10.107 -7.421 1.00 2.53 H new ATOM 833 N ILE A 72 -5.488 4.027 -4.379 1.00 0.45 N ATOM 834 CA ILE A 72 -4.896 3.120 -3.407 1.00 0.43 C ATOM 835 C ILE A 72 -3.760 2.302 -4.017 1.00 0.41 C ATOM 836 O ILE A 72 -3.995 1.333 -4.737 1.00 0.50 O ATOM 837 CB ILE A 72 -5.952 2.150 -2.832 1.00 0.54 C ATOM 838 CG1 ILE A 72 -7.196 2.908 -2.354 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.358 1.331 -1.693 1.00 0.58 C ATOM 840 CD1 ILE A 72 -6.927 3.904 -1.247 1.00 1.00 C ATOM 0 H ILE A 72 -6.204 3.604 -4.969 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.497 3.742 -2.606 1.00 0.43 H new ATOM 0 HB ILE A 72 -6.256 1.472 -3.629 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -7.636 3.434 -3.202 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.936 2.187 -2.007 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -6.115 0.653 -1.299 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.511 0.754 -2.063 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -5.022 2.000 -0.900 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.858 4.397 -0.967 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -6.517 3.384 -0.381 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.212 4.650 -1.594 1.00 1.00 H new ATOM 852 N LEU A 73 -2.533 2.702 -3.730 1.00 0.37 N ATOM 853 CA LEU A 73 -1.363 1.913 -4.083 1.00 0.37 C ATOM 854 C LEU A 73 -1.099 0.893 -2.991 1.00 0.37 C ATOM 855 O LEU A 73 -1.176 1.212 -1.804 1.00 0.46 O ATOM 856 CB LEU A 73 -0.130 2.805 -4.247 1.00 0.43 C ATOM 857 CG LEU A 73 1.206 2.051 -4.330 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.503 1.595 -5.749 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.344 2.897 -3.785 1.00 1.22 C ATOM 0 H LEU A 73 -2.319 3.576 -3.249 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.557 1.411 -5.031 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.250 3.403 -5.150 1.00 0.43 H new ATOM 0 HB3 LEU A 73 -0.087 3.499 -3.408 1.00 0.43 H new ATOM 0 HG LEU A 73 1.117 1.160 -3.709 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.456 1.065 -5.769 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.710 0.929 -6.091 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.556 2.463 -6.406 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.278 2.339 -3.856 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.425 3.816 -4.366 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.147 3.144 -2.742 1.00 1.22 H new ATOM 871 N VAL A 74 -0.805 -0.332 -3.380 1.00 0.40 N ATOM 872 CA VAL A 74 -0.491 -1.364 -2.410 1.00 0.40 C ATOM 873 C VAL A 74 0.797 -2.078 -2.803 1.00 0.39 C ATOM 874 O VAL A 74 1.072 -2.285 -3.988 1.00 0.47 O ATOM 875 CB VAL A 74 -1.645 -2.393 -2.215 1.00 0.48 C ATOM 876 CG1 VAL A 74 -2.996 -1.702 -2.129 1.00 1.30 C ATOM 877 CG2 VAL A 74 -1.666 -3.457 -3.292 1.00 1.16 C ATOM 0 H VAL A 74 -0.777 -0.636 -4.353 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.357 -0.864 -1.451 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.448 -2.894 -1.267 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -3.779 -2.449 -1.993 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -3.000 -1.014 -1.283 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -3.180 -1.147 -3.049 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -2.490 -4.146 -3.106 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -1.799 -2.986 -4.266 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -0.724 -4.005 -3.280 1.00 1.16 H new ATOM 887 N LEU A 75 1.592 -2.439 -1.808 1.00 0.38 N ATOM 888 CA LEU A 75 2.851 -3.126 -2.058 1.00 0.38 C ATOM 889 C LEU A 75 2.723 -4.577 -1.634 1.00 0.35 C ATOM 890 O LEU A 75 2.477 -4.874 -0.463 1.00 0.43 O ATOM 891 CB LEU A 75 4.033 -2.463 -1.328 1.00 0.48 C ATOM 892 CG LEU A 75 4.653 -1.223 -2.001 1.00 0.80 C ATOM 893 CD1 LEU A 75 4.654 -1.361 -3.517 1.00 1.67 C ATOM 894 CD2 LEU A 75 3.950 0.059 -1.582 1.00 1.65 C ATOM 0 H LEU A 75 1.390 -2.269 -0.823 1.00 0.38 H new ATOM 0 HA LEU A 75 3.060 -3.064 -3.126 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.700 -2.178 -0.330 1.00 0.48 H new ATOM 0 HB3 LEU A 75 4.817 -3.210 -1.202 1.00 0.48 H new ATOM 0 HG LEU A 75 5.687 -1.160 -1.661 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.097 -0.471 -3.963 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.235 -2.238 -3.802 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.630 -1.473 -3.873 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.417 0.909 -2.079 1.00 1.65 H new ATOM 0 HD22 LEU A 75 2.899 0.007 -1.865 1.00 1.65 H new ATOM 0 HD23 LEU A 75 4.029 0.181 -0.502 1.00 1.65 H new ATOM 906 N LEU A 76 2.880 -5.471 -2.592 1.00 0.34 N ATOM 907 CA LEU A 76 2.659 -6.883 -2.357 1.00 0.42 C ATOM 908 C LEU A 76 3.973 -7.655 -2.341 1.00 0.41 C ATOM 909 O LEU A 76 4.653 -7.765 -3.360 1.00 0.48 O ATOM 910 CB LEU A 76 1.718 -7.437 -3.439 1.00 0.55 C ATOM 911 CG LEU A 76 1.603 -8.969 -3.546 1.00 1.09 C ATOM 912 CD1 LEU A 76 1.088 -9.577 -2.260 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.681 -9.357 -4.689 1.00 1.76 C ATOM 0 H LEU A 76 3.161 -5.241 -3.545 1.00 0.34 H new ATOM 0 HA LEU A 76 2.198 -7.007 -1.377 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.721 -7.034 -3.260 1.00 0.55 H new ATOM 0 HB3 LEU A 76 2.048 -7.054 -4.404 1.00 0.55 H new ATOM 0 HG LEU A 76 2.604 -9.356 -3.738 1.00 1.09 H new ATOM 0 HD11 LEU A 76 1.019 -10.659 -2.371 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.772 -9.339 -1.445 1.00 1.52 H new ATOM 0 HD13 LEU A 76 0.101 -9.172 -2.036 1.00 1.52 H new ATOM 0 HD21 LEU A 76 0.613 -10.443 -4.749 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.311 -8.940 -4.514 1.00 1.76 H new ATOM 0 HD23 LEU A 76 1.079 -8.967 -5.626 1.00 1.76 H new ATOM 925 N GLU A 77 4.330 -8.171 -1.176 1.00 0.46 N ATOM 926 CA GLU A 77 5.466 -9.071 -1.063 1.00 0.49 C ATOM 927 C GLU A 77 4.986 -10.485 -1.367 1.00 0.49 C ATOM 928 O GLU A 77 4.169 -11.030 -0.629 1.00 0.59 O ATOM 929 CB GLU A 77 6.074 -9.016 0.346 1.00 0.61 C ATOM 930 CG GLU A 77 7.339 -9.846 0.492 1.00 0.63 C ATOM 931 CD GLU A 77 7.804 -9.980 1.930 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.159 -8.958 2.552 1.00 1.71 O ATOM 933 OE2 GLU A 77 7.850 -11.120 2.436 1.00 1.74 O ATOM 0 H GLU A 77 3.850 -7.982 -0.296 1.00 0.46 H new ATOM 0 HA GLU A 77 6.239 -8.770 -1.770 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.298 -7.979 0.596 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.334 -9.365 1.066 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.163 -10.840 0.080 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.134 -9.392 -0.099 1.00 0.63 H new ATOM 940 N ASP A 78 5.471 -11.064 -2.458 1.00 0.54 N ATOM 941 CA ASP A 78 4.971 -12.360 -2.922 1.00 0.61 C ATOM 942 C ASP A 78 5.380 -13.496 -1.984 1.00 0.63 C ATOM 943 O ASP A 78 6.435 -14.111 -2.146 1.00 0.72 O ATOM 944 CB ASP A 78 5.475 -12.640 -4.338 1.00 0.77 C ATOM 945 CG ASP A 78 4.949 -13.944 -4.910 1.00 1.06 C ATOM 946 OD1 ASP A 78 3.784 -13.978 -5.356 1.00 1.59 O ATOM 947 OD2 ASP A 78 5.705 -14.935 -4.939 1.00 1.85 O ATOM 0 H ASP A 78 6.207 -10.662 -3.039 1.00 0.54 H new ATOM 0 HA ASP A 78 3.882 -12.312 -2.927 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.180 -11.819 -4.991 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.565 -12.667 -4.331 1.00 0.77 H new ATOM 952 N THR A 79 4.550 -13.745 -0.985 1.00 0.61 N ATOM 953 CA THR A 79 4.744 -14.857 -0.073 1.00 0.72 C ATOM 954 C THR A 79 3.654 -15.911 -0.260 1.00 0.78 C ATOM 955 O THR A 79 2.876 -15.843 -1.216 1.00 0.84 O ATOM 956 CB THR A 79 4.750 -14.377 1.387 1.00 0.77 C ATOM 957 OG1 THR A 79 3.590 -13.581 1.643 1.00 1.04 O ATOM 958 CG2 THR A 79 6.001 -13.571 1.683 1.00 1.20 C ATOM 0 H THR A 79 3.724 -13.182 -0.784 1.00 0.61 H new ATOM 0 HA THR A 79 5.712 -15.303 -0.302 1.00 0.72 H new ATOM 0 HB THR A 79 4.739 -15.252 2.037 1.00 0.77 H new ATOM 0 HG1 THR A 79 3.135 -13.915 2.444 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.984 -13.241 2.722 1.00 1.20 H new ATOM 0 HG22 THR A 79 6.882 -14.190 1.513 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.037 -12.701 1.027 1.00 1.20 H new ATOM 966 N LYS A 80 3.597 -16.875 0.654 1.00 0.84 N ATOM 967 CA LYS A 80 2.587 -17.925 0.597 1.00 0.92 C ATOM 968 C LYS A 80 1.191 -17.361 0.877 1.00 0.88 C ATOM 969 O LYS A 80 0.242 -17.640 0.144 1.00 0.90 O ATOM 970 CB LYS A 80 2.919 -19.049 1.593 1.00 1.09 C ATOM 971 CG LYS A 80 2.964 -18.604 3.050 1.00 1.65 C ATOM 972 CD LYS A 80 3.238 -19.768 3.988 1.00 2.05 C ATOM 973 CE LYS A 80 3.150 -19.344 5.448 1.00 3.00 C ATOM 974 NZ LYS A 80 4.151 -18.299 5.794 1.00 3.57 N ATOM 0 H LYS A 80 4.239 -16.950 1.443 1.00 0.84 H new ATOM 0 HA LYS A 80 2.590 -18.340 -0.411 1.00 0.92 H new ATOM 0 HB2 LYS A 80 2.177 -19.841 1.490 1.00 1.09 H new ATOM 0 HB3 LYS A 80 3.884 -19.480 1.327 1.00 1.09 H new ATOM 0 HG2 LYS A 80 3.738 -17.847 3.175 1.00 1.65 H new ATOM 0 HG3 LYS A 80 2.016 -18.138 3.317 1.00 1.65 H new ATOM 0 HD2 LYS A 80 2.521 -20.567 3.797 1.00 2.05 H new ATOM 0 HD3 LYS A 80 4.229 -20.174 3.785 1.00 2.05 H new ATOM 0 HE2 LYS A 80 2.148 -18.967 5.655 1.00 3.00 H new ATOM 0 HE3 LYS A 80 3.301 -20.214 6.087 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 4.134 -18.128 6.820 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 5.099 -18.620 5.512 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 3.920 -17.418 5.292 1.00 3.57 H new ATOM 988 N ASP A 81 1.075 -16.548 1.921 1.00 0.90 N ATOM 989 CA ASP A 81 -0.219 -16.010 2.331 1.00 0.93 C ATOM 990 C ASP A 81 -0.624 -14.861 1.425 1.00 0.83 C ATOM 991 O ASP A 81 -1.811 -14.562 1.266 1.00 0.82 O ATOM 992 CB ASP A 81 -0.185 -15.540 3.791 1.00 1.08 C ATOM 993 CG ASP A 81 0.547 -14.226 3.983 1.00 1.46 C ATOM 994 OD1 ASP A 81 1.789 -14.242 4.106 1.00 2.24 O ATOM 995 OD2 ASP A 81 -0.120 -13.173 4.030 1.00 2.00 O ATOM 0 H ASP A 81 1.860 -16.247 2.499 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.956 -16.808 2.246 1.00 0.93 H new ATOM 0 HB2 ASP A 81 -1.207 -15.435 4.155 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.293 -16.306 4.401 1.00 1.08 H new ATOM 1000 N ALA A 82 0.376 -14.229 0.829 1.00 0.82 N ATOM 1001 CA ALA A 82 0.162 -13.087 -0.039 1.00 0.82 C ATOM 1002 C ALA A 82 -0.625 -13.461 -1.290 1.00 0.82 C ATOM 1003 O ALA A 82 -1.211 -12.600 -1.940 1.00 0.84 O ATOM 1004 CB ALA A 82 1.493 -12.478 -0.419 1.00 0.97 C ATOM 0 H ALA A 82 1.355 -14.495 0.935 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.431 -12.356 0.510 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.328 -11.620 -1.071 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.015 -12.154 0.481 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.097 -13.220 -0.941 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.660 -14.750 -1.607 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.330 -15.215 -2.815 1.00 1.03 C ATOM 1012 C ASP A 83 -2.836 -15.210 -2.615 1.00 0.98 C ATOM 1013 O ASP A 83 -3.604 -14.967 -3.548 1.00 1.03 O ATOM 1014 CB ASP A 83 -0.854 -16.620 -3.194 1.00 1.27 C ATOM 1015 CG ASP A 83 -1.537 -17.143 -4.442 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -2.537 -17.885 -4.315 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -1.079 -16.816 -5.557 1.00 2.33 O ATOM 0 H ASP A 83 -0.234 -15.489 -1.047 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.078 -14.535 -3.629 1.00 1.03 H new ATOM 0 HB2 ASP A 83 0.224 -16.605 -3.352 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.045 -17.302 -2.365 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.247 -15.463 -1.384 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.657 -15.467 -1.037 1.00 1.04 C ATOM 1024 C LYS A 84 -5.181 -14.043 -0.913 1.00 0.94 C ATOM 1025 O LYS A 84 -6.227 -13.707 -1.469 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.887 -16.225 0.269 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.709 -17.731 0.146 1.00 1.67 C ATOM 1028 CD LYS A 84 -5.186 -18.448 1.398 1.00 2.01 C ATOM 1029 CE LYS A 84 -5.139 -19.960 1.237 1.00 2.47 C ATOM 1030 NZ LYS A 84 -3.748 -20.472 1.132 1.00 3.21 N ATOM 0 H LYS A 84 -2.621 -15.669 -0.606 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.202 -15.972 -1.835 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -4.197 -15.848 1.023 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.895 -16.016 0.627 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -5.264 -18.095 -0.718 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -3.658 -17.962 -0.030 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -4.565 -18.153 2.244 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -6.206 -18.139 1.628 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -5.634 -20.429 2.087 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -5.698 -20.246 0.346 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -3.765 -21.509 1.058 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -3.294 -20.072 0.287 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -3.211 -20.194 1.978 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.437 -13.203 -0.205 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.854 -11.826 0.021 1.00 0.77 C ATOM 1046 C VAL A 85 -4.800 -11.024 -1.280 1.00 0.68 C ATOM 1047 O VAL A 85 -5.605 -10.121 -1.490 1.00 0.75 O ATOM 1048 CB VAL A 85 -4.009 -11.146 1.126 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -2.528 -11.304 0.856 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -4.370 -9.674 1.271 1.00 1.16 C ATOM 0 H VAL A 85 -3.544 -13.451 0.221 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.887 -11.848 0.369 1.00 0.77 H new ATOM 0 HB VAL A 85 -4.240 -11.646 2.067 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -1.960 -10.817 1.648 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -2.275 -12.364 0.827 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -2.282 -10.846 -0.102 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -3.760 -9.225 2.055 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -4.186 -9.160 0.328 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -5.424 -9.582 1.535 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.868 -11.383 -2.162 1.00 0.60 N ATOM 1061 CA LYS A 86 -3.800 -10.788 -3.495 1.00 0.59 C ATOM 1062 C LYS A 86 -5.150 -10.907 -4.193 1.00 0.69 C ATOM 1063 O LYS A 86 -5.659 -9.942 -4.766 1.00 0.78 O ATOM 1064 CB LYS A 86 -2.703 -11.481 -4.321 1.00 0.62 C ATOM 1065 CG LYS A 86 -2.769 -11.246 -5.829 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.667 -9.774 -6.197 1.00 1.07 C ATOM 1067 CE LYS A 86 -2.324 -9.590 -7.663 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.314 -10.247 -8.553 1.00 2.30 N ATOM 0 H LYS A 86 -3.150 -12.083 -1.977 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.553 -9.731 -3.402 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -1.732 -11.142 -3.960 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -2.756 -12.554 -4.135 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -1.962 -11.795 -6.314 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.705 -11.649 -6.215 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -3.612 -9.277 -5.978 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -1.905 -9.296 -5.581 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.279 -8.526 -7.894 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -1.333 -10.000 -7.858 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.207 -9.881 -9.521 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -3.154 -11.275 -8.552 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -4.275 -10.046 -8.211 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.731 -12.095 -4.117 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.032 -12.351 -4.709 1.00 0.89 C ATOM 1084 C LYS A 87 -8.122 -11.590 -3.964 1.00 0.88 C ATOM 1085 O LYS A 87 -8.971 -10.943 -4.580 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.331 -13.851 -4.684 1.00 1.06 C ATOM 1087 CG LYS A 87 -6.381 -14.675 -5.536 1.00 1.85 C ATOM 1088 CD LYS A 87 -6.620 -16.164 -5.357 1.00 2.29 C ATOM 1089 CE LYS A 87 -5.786 -16.987 -6.328 1.00 3.21 C ATOM 1090 NZ LYS A 87 -4.326 -16.741 -6.170 1.00 3.93 N ATOM 0 H LYS A 87 -5.317 -12.901 -3.648 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.015 -12.006 -5.743 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.283 -14.205 -3.654 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.351 -14.015 -5.030 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -6.508 -14.409 -6.585 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -5.351 -14.436 -5.269 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -6.377 -16.451 -4.334 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -7.677 -16.384 -5.508 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -5.992 -18.046 -6.173 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -6.083 -16.750 -7.350 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -3.800 -17.324 -6.852 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -4.123 -15.736 -6.343 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -4.034 -16.991 -5.204 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.064 -11.646 -2.639 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.096 -11.068 -1.789 1.00 0.98 C ATOM 1106 C GLU A 88 -9.185 -9.556 -1.953 1.00 0.96 C ATOM 1107 O GLU A 88 -10.280 -9.000 -2.008 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.831 -11.419 -0.327 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.085 -12.881 -0.002 1.00 1.16 C ATOM 1110 CD GLU A 88 -10.530 -13.271 -0.223 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -10.835 -13.900 -1.256 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -11.374 -12.942 0.638 1.00 2.58 O ATOM 0 H GLU A 88 -7.303 -12.092 -2.126 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.051 -11.492 -2.098 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.797 -11.175 -0.084 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.463 -10.798 0.308 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -8.442 -13.506 -0.622 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.813 -13.074 1.036 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.036 -8.900 -2.039 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.999 -7.450 -2.177 1.00 0.93 C ATOM 1121 C ILE A 89 -8.708 -7.001 -3.453 1.00 0.87 C ATOM 1122 O ILE A 89 -9.512 -6.069 -3.428 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.552 -6.909 -2.170 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.885 -7.170 -0.816 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.533 -5.423 -2.494 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.586 -6.510 0.354 1.00 1.17 C ATOM 0 H ILE A 89 -7.119 -9.347 -2.016 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.523 -7.039 -1.314 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.988 -7.436 -2.939 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.846 -8.245 -0.643 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.855 -6.816 -0.856 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.505 -5.062 -2.484 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.965 -5.260 -3.481 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.115 -4.881 -1.749 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.053 -6.743 1.276 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.602 -5.430 0.207 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.608 -6.882 0.422 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.427 -7.677 -4.559 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.042 -7.323 -5.831 1.00 0.79 C ATOM 1140 C GLU A 90 -10.536 -7.627 -5.813 1.00 0.79 C ATOM 1141 O GLU A 90 -11.341 -6.866 -6.352 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.363 -8.063 -6.984 1.00 0.83 C ATOM 1143 CG GLU A 90 -6.896 -7.710 -7.139 1.00 1.35 C ATOM 1144 CD GLU A 90 -6.281 -8.291 -8.392 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -5.798 -9.441 -8.348 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -6.266 -7.595 -9.428 1.00 2.08 O ATOM 0 H GLU A 90 -7.783 -8.467 -4.602 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.911 -6.252 -5.983 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.457 -9.137 -6.823 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.885 -7.833 -7.913 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -6.788 -6.625 -7.156 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.347 -8.071 -6.269 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.901 -8.730 -5.174 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.298 -9.125 -5.066 1.00 0.93 C ATOM 1155 C LYS A 91 -13.081 -8.133 -4.208 1.00 0.96 C ATOM 1156 O LYS A 91 -14.132 -7.638 -4.619 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.406 -10.531 -4.475 1.00 1.11 C ATOM 1158 CG LYS A 91 -11.865 -11.623 -5.385 1.00 1.66 C ATOM 1159 CD LYS A 91 -11.637 -12.921 -4.625 1.00 1.93 C ATOM 1160 CE LYS A 91 -12.925 -13.479 -4.043 1.00 2.60 C ATOM 1161 NZ LYS A 91 -12.665 -14.588 -3.088 1.00 3.12 N ATOM 0 H LYS A 91 -10.247 -9.368 -4.722 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.729 -9.126 -6.067 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -11.866 -10.559 -3.528 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.452 -10.742 -4.252 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -12.565 -11.797 -6.202 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -10.928 -11.293 -5.833 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -11.193 -13.658 -5.294 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -10.922 -12.748 -3.821 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -13.469 -12.683 -3.536 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -13.563 -13.837 -4.851 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -13.478 -14.693 -2.448 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -12.522 -15.473 -3.615 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -11.812 -14.375 -2.532 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.551 -7.823 -3.028 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.222 -6.918 -2.101 1.00 1.17 C ATOM 1177 C LYS A 92 -13.291 -5.508 -2.690 1.00 1.08 C ATOM 1178 O LYS A 92 -14.214 -4.750 -2.398 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.498 -6.892 -0.737 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.240 -6.035 -0.721 1.00 1.59 C ATOM 1181 CD LYS A 92 -10.523 -6.106 0.618 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.391 -5.584 1.753 1.00 2.18 C ATOM 1183 NZ LYS A 92 -10.666 -5.595 3.050 1.00 2.41 N ATOM 0 H LYS A 92 -11.659 -8.185 -2.692 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.237 -7.284 -1.943 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -13.187 -6.522 0.022 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.234 -7.912 -0.458 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -10.566 -6.365 -1.512 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.503 -5.000 -0.938 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -10.238 -7.138 0.823 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -9.602 -5.525 0.568 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.715 -4.568 1.526 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -12.290 -6.195 1.834 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -11.222 -5.080 3.763 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -10.528 -6.577 3.362 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -9.740 -5.135 2.934 1.00 2.41 H new ATOM 1197 N ALA A 93 -12.318 -5.172 -3.533 1.00 0.98 N ATOM 1198 CA ALA A 93 -12.275 -3.863 -4.171 1.00 0.99 C ATOM 1199 C ALA A 93 -13.483 -3.658 -5.076 1.00 0.90 C ATOM 1200 O ALA A 93 -13.946 -2.534 -5.260 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.987 -3.696 -4.960 1.00 1.01 C ATOM 0 H ALA A 93 -11.548 -5.791 -3.789 1.00 0.98 H new ATOM 0 HA ALA A 93 -12.304 -3.105 -3.388 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.973 -2.712 -5.429 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -10.134 -3.790 -4.288 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.929 -4.466 -5.729 1.00 1.01 H new ATOM 1207 N ARG A 94 -14.000 -4.750 -5.627 1.00 0.82 N ATOM 1208 CA ARG A 94 -15.165 -4.680 -6.496 1.00 0.85 C ATOM 1209 C ARG A 94 -16.434 -4.515 -5.668 1.00 0.86 C ATOM 1210 O ARG A 94 -17.368 -3.826 -6.074 1.00 0.92 O ATOM 1211 CB ARG A 94 -15.270 -5.939 -7.370 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.062 -6.172 -8.266 1.00 1.31 C ATOM 1213 CD ARG A 94 -13.749 -4.959 -9.132 1.00 1.63 C ATOM 1214 NE ARG A 94 -14.872 -4.573 -9.987 1.00 2.21 N ATOM 1215 CZ ARG A 94 -14.789 -3.657 -10.951 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -13.636 -3.048 -11.197 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -15.856 -3.356 -11.677 1.00 3.67 N ATOM 0 H ARG A 94 -13.631 -5.691 -5.487 1.00 0.82 H new ATOM 0 HA ARG A 94 -15.051 -3.814 -7.148 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -15.404 -6.807 -6.724 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -16.162 -5.864 -7.992 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -13.195 -6.411 -7.650 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -14.246 -7.035 -8.905 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -13.480 -4.119 -8.491 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -12.881 -5.176 -9.755 1.00 1.63 H new ATOM 0 HE ARG A 94 -15.770 -5.032 -9.836 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -12.809 -3.281 -10.647 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.577 -2.347 -11.936 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -16.744 -3.826 -11.498 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -15.790 -2.654 -12.414 1.00 3.67 H new ATOM 1231 N LYS A 95 -16.454 -5.138 -4.496 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.609 -5.059 -3.608 1.00 1.02 C ATOM 1233 C LYS A 95 -17.670 -3.709 -2.902 1.00 1.02 C ATOM 1234 O LYS A 95 -18.745 -3.242 -2.532 1.00 1.15 O ATOM 1235 CB LYS A 95 -17.587 -6.181 -2.562 1.00 1.23 C ATOM 1236 CG LYS A 95 -18.147 -7.511 -3.051 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.214 -8.208 -4.027 1.00 2.10 C ATOM 1238 CE LYS A 95 -17.806 -9.522 -4.510 1.00 2.52 C ATOM 1239 NZ LYS A 95 -16.852 -10.286 -5.355 1.00 3.34 N ATOM 0 H LYS A 95 -15.684 -5.703 -4.138 1.00 0.90 H new ATOM 0 HA LYS A 95 -18.497 -5.175 -4.230 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.559 -6.333 -2.232 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -18.157 -5.859 -1.690 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.327 -8.163 -2.196 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -19.111 -7.342 -3.531 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.023 -7.557 -4.880 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -16.253 -8.394 -3.546 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -18.094 -10.127 -3.651 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -18.715 -9.323 -5.078 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -17.296 -11.175 -5.663 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -16.596 -9.720 -6.189 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -15.995 -10.499 -4.805 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.517 -3.081 -2.730 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.455 -1.804 -2.014 1.00 1.03 C ATOM 1255 C LYS A 96 -16.365 -0.634 -2.999 1.00 0.96 C ATOM 1256 O LYS A 96 -16.556 0.524 -2.624 1.00 1.07 O ATOM 1257 CB LYS A 96 -15.269 -1.780 -1.022 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.112 -0.468 -0.267 1.00 1.29 C ATOM 1259 CD LYS A 96 -16.277 -0.234 0.681 1.00 1.68 C ATOM 1260 CE LYS A 96 -16.161 1.100 1.398 1.00 1.78 C ATOM 1261 NZ LYS A 96 -16.270 2.252 0.464 1.00 2.17 N ATOM 0 H LYS A 96 -15.619 -3.425 -3.069 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.375 -1.696 -1.439 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -15.397 -2.588 -0.301 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.348 -1.984 -1.569 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -14.179 -0.479 0.296 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -15.046 0.357 -0.977 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -17.212 -0.266 0.122 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -16.316 -1.039 1.415 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -16.942 1.173 2.155 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -15.206 1.148 1.921 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -16.373 3.132 1.009 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -15.413 2.306 -0.122 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -17.101 2.125 -0.148 1.00 2.17 H new ATOM 1275 N ASN A 97 -16.103 -0.961 -4.264 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.917 0.034 -5.322 1.00 0.86 C ATOM 1277 C ASN A 97 -14.756 0.962 -4.971 1.00 0.87 C ATOM 1278 O ASN A 97 -14.943 2.143 -4.668 1.00 1.04 O ATOM 1279 CB ASN A 97 -17.207 0.830 -5.569 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.157 1.646 -6.850 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -17.493 1.150 -7.928 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -16.757 2.903 -6.745 1.00 2.33 N ATOM 0 H ASN A 97 -16.013 -1.925 -4.586 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.675 -0.488 -6.248 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -18.051 0.141 -5.615 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -17.385 1.497 -4.725 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -16.719 3.497 -7.573 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -16.487 3.278 -5.836 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.557 0.405 -4.995 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.357 1.144 -4.637 1.00 0.84 C ATOM 1291 C LEU A 98 -11.222 0.776 -5.588 1.00 0.71 C ATOM 1292 O LEU A 98 -10.920 -0.406 -5.765 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.963 0.819 -3.190 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.797 1.635 -2.617 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.137 3.119 -2.549 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -10.419 1.112 -1.239 1.00 2.08 C ATOM 0 H LEU A 98 -13.388 -0.565 -5.261 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.552 2.213 -4.719 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.835 0.970 -2.553 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.705 -0.238 -3.132 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.944 1.521 -3.286 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.290 3.668 -2.139 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.358 3.488 -3.551 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -12.007 3.264 -1.909 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.590 1.698 -0.842 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.276 1.196 -0.570 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -10.120 0.067 -1.316 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.593 1.770 -6.241 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.466 1.519 -7.136 1.00 0.85 C ATOM 1310 C PRO A 99 -8.204 1.155 -6.362 1.00 0.70 C ATOM 1311 O PRO A 99 -7.681 1.962 -5.592 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.266 2.853 -7.875 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.421 3.721 -7.487 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.927 3.197 -6.174 1.00 1.10 C ATOM 0 HA PRO A 99 -9.661 0.681 -7.806 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.320 3.316 -7.595 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.239 2.700 -8.954 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.110 4.762 -7.395 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.203 3.687 -8.245 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.442 3.686 -5.330 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.999 3.356 -6.062 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.707 -0.053 -6.585 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.520 -0.530 -5.895 1.00 0.47 C ATOM 1324 C VAL A 100 -5.441 -0.913 -6.898 1.00 0.42 C ATOM 1325 O VAL A 100 -5.735 -1.465 -7.960 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.833 -1.739 -4.980 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.760 -1.327 -3.847 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.443 -2.887 -5.777 1.00 1.35 C ATOM 0 H VAL A 100 -8.110 -0.722 -7.241 1.00 0.58 H new ATOM 0 HA VAL A 100 -6.161 0.285 -5.267 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.893 -2.087 -4.551 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.968 -2.190 -3.215 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -7.283 -0.548 -3.252 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.694 -0.947 -4.261 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.653 -3.723 -5.109 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -8.370 -2.554 -6.243 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.743 -3.206 -6.549 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.198 -0.593 -6.577 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.081 -0.901 -7.454 1.00 0.43 C ATOM 1340 C ARG A 101 -2.080 -1.811 -6.744 1.00 0.40 C ATOM 1341 O ARG A 101 -1.252 -1.348 -5.961 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.404 0.401 -7.900 1.00 0.49 C ATOM 1343 CG ARG A 101 -3.350 1.381 -8.583 1.00 1.20 C ATOM 1344 CD ARG A 101 -4.052 0.754 -9.777 1.00 1.40 C ATOM 1345 NE ARG A 101 -5.131 1.601 -10.283 1.00 2.23 N ATOM 1346 CZ ARG A 101 -6.353 1.156 -10.585 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -6.662 -0.123 -10.413 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -7.272 1.992 -11.047 1.00 3.87 N ATOM 0 H ARG A 101 -3.937 -0.119 -5.713 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.452 -1.427 -8.333 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -1.959 0.885 -7.031 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.589 0.161 -8.583 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -4.094 1.727 -7.865 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -2.790 2.257 -8.910 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -3.327 0.576 -10.572 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -4.457 -0.217 -9.491 1.00 1.40 H new ATOM 0 HE ARG A 101 -4.938 2.594 -10.413 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -5.964 -0.772 -10.048 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -7.597 -0.457 -10.645 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -7.047 2.979 -11.173 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -8.205 1.649 -11.277 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.185 -3.107 -7.013 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.299 -4.104 -6.427 1.00 0.43 C ATOM 1364 C ILE A 102 -0.078 -4.347 -7.303 1.00 0.45 C ATOM 1365 O ILE A 102 -0.202 -4.600 -8.502 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.033 -5.452 -6.220 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.404 -5.227 -5.571 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.192 -6.399 -5.373 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.176 -6.503 -5.319 1.00 0.76 C ATOM 0 H ILE A 102 -2.887 -3.496 -7.643 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.979 -3.709 -5.463 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.185 -5.909 -7.198 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.266 -4.704 -4.625 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.997 -4.575 -6.213 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.726 -7.340 -5.240 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.242 -6.589 -5.873 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.005 -5.947 -4.399 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.135 -6.263 -4.859 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.346 -7.018 -6.264 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.604 -7.148 -4.652 1.00 0.76 H new ATOM 1381 N ARG A 103 1.098 -4.278 -6.697 1.00 0.41 N ATOM 1382 CA ARG A 103 2.340 -4.550 -7.403 1.00 0.50 C ATOM 1383 C ARG A 103 3.251 -5.416 -6.537 1.00 0.43 C ATOM 1384 O ARG A 103 3.524 -5.076 -5.384 1.00 0.53 O ATOM 1385 CB ARG A 103 3.039 -3.235 -7.769 1.00 0.65 C ATOM 1386 CG ARG A 103 4.254 -3.410 -8.668 1.00 1.12 C ATOM 1387 CD ARG A 103 3.869 -4.013 -10.022 1.00 1.27 C ATOM 1388 NE ARG A 103 2.846 -3.225 -10.708 1.00 1.83 N ATOM 1389 CZ ARG A 103 2.032 -3.713 -11.647 1.00 2.44 C ATOM 1390 NH1 ARG A 103 2.075 -5.004 -11.968 1.00 2.64 N ATOM 1391 NH2 ARG A 103 1.165 -2.912 -12.257 1.00 3.34 N ATOM 0 H ARG A 103 1.218 -4.035 -5.714 1.00 0.41 H new ATOM 0 HA ARG A 103 2.115 -5.089 -8.323 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.323 -2.581 -8.266 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.347 -2.732 -6.853 1.00 0.65 H new ATOM 0 HG2 ARG A 103 4.736 -2.444 -8.822 1.00 1.12 H new ATOM 0 HG3 ARG A 103 4.982 -4.054 -8.176 1.00 1.12 H new ATOM 0 HD2 ARG A 103 4.756 -4.081 -10.652 1.00 1.27 H new ATOM 0 HD3 ARG A 103 3.504 -5.029 -9.874 1.00 1.27 H new ATOM 0 HE ARG A 103 2.748 -2.242 -10.454 1.00 1.83 H new ATOM 0 HH11 ARG A 103 2.732 -5.625 -11.496 1.00 2.64 H new ATOM 0 HH12 ARG A 103 1.451 -5.372 -12.686 1.00 2.64 H new ATOM 0 HH21 ARG A 103 1.121 -1.924 -12.008 1.00 3.34 H new ATOM 0 HH22 ARG A 103 0.543 -3.285 -12.974 1.00 3.34 H new ATOM 1405 N LYS A 104 3.696 -6.544 -7.084 1.00 0.38 N ATOM 1406 CA LYS A 104 4.592 -7.441 -6.358 1.00 0.39 C ATOM 1407 C LYS A 104 6.006 -6.887 -6.335 1.00 0.37 C ATOM 1408 O LYS A 104 6.627 -6.705 -7.385 1.00 0.46 O ATOM 1409 CB LYS A 104 4.610 -8.841 -6.980 1.00 0.51 C ATOM 1410 CG LYS A 104 3.289 -9.586 -6.894 1.00 0.63 C ATOM 1411 CD LYS A 104 3.425 -11.006 -7.416 1.00 1.06 C ATOM 1412 CE LYS A 104 2.138 -11.792 -7.230 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.327 -13.239 -7.507 1.00 1.91 N ATOM 0 H LYS A 104 3.452 -6.858 -8.023 1.00 0.38 H new ATOM 0 HA LYS A 104 4.214 -7.516 -5.338 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.897 -8.755 -8.028 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.380 -9.434 -6.486 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.947 -9.607 -5.859 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.531 -9.055 -7.470 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.689 -10.983 -8.473 1.00 1.06 H new ATOM 0 HD3 LYS A 104 4.239 -11.510 -6.895 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.778 -11.662 -6.210 1.00 1.50 H new ATOM 0 HE3 LYS A 104 1.370 -11.393 -7.893 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 1.455 -13.754 -7.272 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 2.547 -13.374 -8.514 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 3.111 -13.604 -6.929 1.00 1.91 H new ATOM 1427 N VAL A 105 6.505 -6.618 -5.138 1.00 0.35 N ATOM 1428 CA VAL A 105 7.846 -6.085 -4.959 1.00 0.39 C ATOM 1429 C VAL A 105 8.476 -6.632 -3.686 1.00 0.46 C ATOM 1430 O VAL A 105 7.784 -6.874 -2.694 1.00 0.52 O ATOM 1431 CB VAL A 105 7.856 -4.535 -4.871 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.315 -3.906 -6.141 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.063 -4.052 -3.663 1.00 0.55 C ATOM 0 H VAL A 105 5.994 -6.762 -4.267 1.00 0.35 H new ATOM 0 HA VAL A 105 8.417 -6.395 -5.834 1.00 0.39 H new ATOM 0 HB VAL A 105 8.893 -4.222 -4.752 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.336 -2.820 -6.047 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.931 -4.208 -6.988 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.289 -4.237 -6.302 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.086 -2.963 -3.625 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.030 -4.391 -3.747 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.505 -4.457 -2.752 1.00 0.55 H new ATOM 1443 N THR A 106 9.773 -6.864 -3.722 1.00 0.52 N ATOM 1444 CA THR A 106 10.533 -7.085 -2.509 1.00 0.61 C ATOM 1445 C THR A 106 11.958 -6.597 -2.713 1.00 0.58 C ATOM 1446 O THR A 106 12.825 -7.344 -3.168 1.00 0.67 O ATOM 1447 CB THR A 106 10.555 -8.578 -2.116 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.221 -9.104 -2.108 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.182 -8.769 -0.743 1.00 1.64 C ATOM 0 H THR A 106 10.323 -6.904 -4.580 1.00 0.52 H new ATOM 0 HA THR A 106 10.053 -6.530 -1.703 1.00 0.61 H new ATOM 0 HB THR A 106 11.155 -9.113 -2.852 1.00 0.80 H new ATOM 0 HG1 THR A 106 8.578 -8.366 -2.165 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.186 -9.829 -0.489 1.00 1.64 H new ATOM 0 HG22 THR A 106 12.206 -8.395 -0.755 1.00 1.64 H new ATOM 0 HG23 THR A 106 10.604 -8.220 0.000 1.00 1.64 H new ATOM 1457 N SER A 107 12.179 -5.340 -2.358 1.00 0.50 N ATOM 1458 CA SER A 107 13.488 -4.709 -2.436 1.00 0.51 C ATOM 1459 C SER A 107 13.366 -3.246 -2.030 1.00 0.45 C ATOM 1460 O SER A 107 12.379 -2.595 -2.385 1.00 0.44 O ATOM 1461 CB SER A 107 14.082 -4.822 -3.848 1.00 0.56 C ATOM 1462 OG SER A 107 13.127 -4.472 -4.835 1.00 1.36 O ATOM 0 H SER A 107 11.447 -4.723 -2.004 1.00 0.50 H new ATOM 0 HA SER A 107 14.163 -5.225 -1.754 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.952 -4.171 -3.933 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.429 -5.841 -4.019 1.00 0.56 H new ATOM 0 HG SER A 107 13.521 -3.825 -5.457 1.00 1.36 H new ATOM 1468 N PRO A 108 14.325 -2.717 -1.261 1.00 0.47 N ATOM 1469 CA PRO A 108 14.301 -1.321 -0.818 1.00 0.49 C ATOM 1470 C PRO A 108 14.002 -0.335 -1.949 1.00 0.43 C ATOM 1471 O PRO A 108 12.993 0.372 -1.908 1.00 0.47 O ATOM 1472 CB PRO A 108 15.715 -1.107 -0.282 1.00 0.63 C ATOM 1473 CG PRO A 108 16.135 -2.450 0.201 1.00 0.69 C ATOM 1474 CD PRO A 108 15.498 -3.442 -0.735 1.00 0.55 C ATOM 0 HA PRO A 108 13.512 -1.143 -0.088 1.00 0.49 H new ATOM 0 HB2 PRO A 108 16.383 -0.738 -1.060 1.00 0.63 H new ATOM 0 HB3 PRO A 108 15.728 -0.373 0.524 1.00 0.63 H new ATOM 0 HG2 PRO A 108 17.221 -2.546 0.193 1.00 0.69 H new ATOM 0 HG3 PRO A 108 15.808 -2.616 1.228 1.00 0.69 H new ATOM 0 HD2 PRO A 108 16.180 -3.735 -1.533 1.00 0.55 H new ATOM 0 HD3 PRO A 108 15.206 -4.354 -0.215 1.00 0.55 H new ATOM 1482 N ASP A 109 14.859 -0.323 -2.970 1.00 0.46 N ATOM 1483 CA ASP A 109 14.777 0.675 -4.039 1.00 0.50 C ATOM 1484 C ASP A 109 13.427 0.648 -4.754 1.00 0.41 C ATOM 1485 O ASP A 109 12.862 1.702 -5.051 1.00 0.44 O ATOM 1486 CB ASP A 109 15.901 0.478 -5.057 1.00 0.64 C ATOM 1487 CG ASP A 109 15.959 1.614 -6.059 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.535 2.675 -5.728 1.00 2.22 O ATOM 1489 OD2 ASP A 109 15.428 1.463 -7.178 1.00 2.37 O ATOM 0 H ASP A 109 15.619 -0.994 -3.080 1.00 0.46 H new ATOM 0 HA ASP A 109 14.886 1.650 -3.563 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.855 0.405 -4.535 1.00 0.64 H new ATOM 0 HB3 ASP A 109 15.753 -0.464 -5.584 1.00 0.64 H new ATOM 1494 N GLU A 110 12.912 -0.548 -5.028 1.00 0.38 N ATOM 1495 CA GLU A 110 11.613 -0.688 -5.683 1.00 0.38 C ATOM 1496 C GLU A 110 10.514 -0.047 -4.850 1.00 0.36 C ATOM 1497 O GLU A 110 9.745 0.777 -5.350 1.00 0.42 O ATOM 1498 CB GLU A 110 11.278 -2.158 -5.938 1.00 0.43 C ATOM 1499 CG GLU A 110 11.683 -2.657 -7.317 1.00 0.68 C ATOM 1500 CD GLU A 110 13.160 -2.491 -7.601 1.00 1.32 C ATOM 1501 OE1 GLU A 110 13.975 -3.180 -6.952 1.00 2.01 O ATOM 1502 OE2 GLU A 110 13.511 -1.684 -8.487 1.00 2.12 O ATOM 0 H GLU A 110 13.372 -1.431 -4.808 1.00 0.38 H new ATOM 0 HA GLU A 110 11.674 -0.174 -6.642 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.773 -2.769 -5.183 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.205 -2.302 -5.812 1.00 0.43 H new ATOM 0 HG2 GLU A 110 11.418 -3.711 -7.407 1.00 0.68 H new ATOM 0 HG3 GLU A 110 11.111 -2.119 -8.073 1.00 0.68 H new ATOM 1509 N ALA A 111 10.454 -0.413 -3.574 1.00 0.33 N ATOM 1510 CA ALA A 111 9.451 0.131 -2.670 1.00 0.35 C ATOM 1511 C ALA A 111 9.578 1.646 -2.580 1.00 0.34 C ATOM 1512 O ALA A 111 8.588 2.370 -2.672 1.00 0.41 O ATOM 1513 CB ALA A 111 9.583 -0.499 -1.291 1.00 0.38 C ATOM 0 H ALA A 111 11.089 -1.085 -3.144 1.00 0.33 H new ATOM 0 HA ALA A 111 8.464 -0.107 -3.066 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.826 -0.082 -0.627 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.443 -1.577 -1.369 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.574 -0.290 -0.889 1.00 0.38 H new ATOM 1519 N LYS A 112 10.812 2.116 -2.429 1.00 0.32 N ATOM 1520 CA LYS A 112 11.087 3.544 -2.332 1.00 0.34 C ATOM 1521 C LYS A 112 10.686 4.271 -3.613 1.00 0.37 C ATOM 1522 O LYS A 112 10.287 5.433 -3.576 1.00 0.42 O ATOM 1523 CB LYS A 112 12.570 3.775 -2.031 1.00 0.40 C ATOM 1524 CG LYS A 112 13.013 3.139 -0.726 1.00 0.48 C ATOM 1525 CD LYS A 112 14.513 3.259 -0.503 1.00 0.62 C ATOM 1526 CE LYS A 112 14.926 4.677 -0.147 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.298 4.715 0.421 1.00 1.51 N ATOM 0 H LYS A 112 11.641 1.525 -2.371 1.00 0.32 H new ATOM 0 HA LYS A 112 10.491 3.950 -1.515 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.169 3.372 -2.848 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.765 4.847 -1.992 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.486 3.612 0.103 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.731 2.086 -0.724 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.816 2.582 0.296 1.00 0.62 H new ATOM 0 HD3 LYS A 112 15.039 2.944 -1.404 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.881 5.305 -1.037 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.221 5.093 0.573 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.576 5.703 0.591 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.317 4.191 1.319 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.963 4.278 -0.249 1.00 1.51 H new ATOM 1541 N ARG A 113 10.782 3.579 -4.742 1.00 0.38 N ATOM 1542 CA ARG A 113 10.416 4.162 -6.025 1.00 0.46 C ATOM 1543 C ARG A 113 8.910 4.330 -6.146 1.00 0.43 C ATOM 1544 O ARG A 113 8.422 5.447 -6.283 1.00 0.50 O ATOM 1545 CB ARG A 113 10.917 3.304 -7.187 1.00 0.57 C ATOM 1546 CG ARG A 113 10.361 3.747 -8.531 1.00 0.77 C ATOM 1547 CD ARG A 113 10.683 2.753 -9.627 1.00 1.01 C ATOM 1548 NE ARG A 113 10.003 3.078 -10.877 1.00 1.68 N ATOM 1549 CZ ARG A 113 10.068 2.322 -11.968 1.00 2.13 C ATOM 1550 NH1 ARG A 113 10.783 1.203 -11.963 1.00 1.97 N ATOM 1551 NH2 ARG A 113 9.412 2.676 -13.064 1.00 2.96 N ATOM 0 H ARG A 113 11.110 2.615 -4.794 1.00 0.38 H new ATOM 0 HA ARG A 113 10.890 5.142 -6.073 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.006 3.344 -7.219 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.641 2.264 -7.010 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.280 3.868 -8.456 1.00 0.77 H new ATOM 0 HG3 ARG A 113 10.773 4.722 -8.792 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.760 2.734 -9.794 1.00 1.01 H new ATOM 0 HD3 ARG A 113 10.393 1.753 -9.306 1.00 1.01 H new ATOM 0 HE ARG A 113 9.447 3.932 -10.915 1.00 1.68 H new ATOM 0 HH11 ARG A 113 11.284 0.922 -11.120 1.00 1.97 H new ATOM 0 HH12 ARG A 113 10.831 0.625 -12.802 1.00 1.97 H new ATOM 0 HH21 ARG A 113 8.855 3.531 -13.072 1.00 2.96 H new ATOM 0 HH22 ARG A 113 9.464 2.094 -13.900 1.00 2.96 H new ATOM 1565 N TRP A 114 8.182 3.216 -6.081 1.00 0.39 N ATOM 1566 CA TRP A 114 6.741 3.215 -6.335 1.00 0.39 C ATOM 1567 C TRP A 114 6.012 4.223 -5.452 1.00 0.40 C ATOM 1568 O TRP A 114 5.074 4.887 -5.895 1.00 0.46 O ATOM 1569 CB TRP A 114 6.159 1.814 -6.129 1.00 0.38 C ATOM 1570 CG TRP A 114 6.616 0.821 -7.159 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.406 -0.275 -6.956 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.311 0.839 -8.559 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.608 -0.937 -8.144 1.00 0.40 N ATOM 1574 CE2 TRP A 114 6.945 -0.275 -9.141 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.561 1.687 -9.374 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 6.850 -0.559 -10.501 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.467 1.405 -10.724 1.00 1.29 C ATOM 1578 CH2 TRP A 114 6.108 0.290 -11.275 1.00 1.25 C ATOM 0 H TRP A 114 8.568 2.299 -5.854 1.00 0.39 H new ATOM 0 HA TRP A 114 6.593 3.512 -7.373 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.439 1.454 -5.139 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.071 1.874 -6.150 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.812 -0.577 -6.002 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.163 -1.785 -8.263 1.00 0.40 H new ATOM 0 HE3 TRP A 114 5.062 2.549 -8.957 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.344 -1.419 -10.929 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.889 2.056 -11.364 1.00 1.29 H new ATOM 0 HH2 TRP A 114 6.015 0.096 -12.333 1.00 1.25 H new ATOM 1589 N ILE A 115 6.466 4.352 -4.216 1.00 0.38 N ATOM 1590 CA ILE A 115 5.866 5.284 -3.274 1.00 0.41 C ATOM 1591 C ILE A 115 6.025 6.732 -3.743 1.00 0.47 C ATOM 1592 O ILE A 115 5.049 7.479 -3.813 1.00 0.55 O ATOM 1593 CB ILE A 115 6.475 5.107 -1.866 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.107 3.726 -1.314 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.003 6.205 -0.922 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.706 3.434 0.041 1.00 0.44 C ATOM 0 H ILE A 115 7.251 3.821 -3.840 1.00 0.38 H new ATOM 0 HA ILE A 115 4.800 5.061 -3.225 1.00 0.41 H new ATOM 0 HB ILE A 115 7.560 5.183 -1.944 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.022 3.649 -1.246 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.437 2.963 -2.019 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.448 6.055 0.062 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.306 7.176 -1.313 1.00 0.45 H new ATOM 0 HG23 ILE A 115 4.917 6.171 -0.838 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.402 2.439 0.367 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.793 3.477 -0.025 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.356 4.174 0.761 1.00 0.44 H new ATOM 1608 N LYS A 116 7.241 7.112 -4.118 1.00 0.50 N ATOM 1609 CA LYS A 116 7.520 8.501 -4.473 1.00 0.60 C ATOM 1610 C LYS A 116 7.073 8.785 -5.901 1.00 0.57 C ATOM 1611 O LYS A 116 6.724 9.914 -6.244 1.00 0.69 O ATOM 1612 CB LYS A 116 9.010 8.836 -4.300 1.00 0.73 C ATOM 1613 CG LYS A 116 9.946 8.091 -5.240 1.00 1.18 C ATOM 1614 CD LYS A 116 11.391 8.508 -5.027 1.00 1.85 C ATOM 1615 CE LYS A 116 12.341 7.696 -5.891 1.00 2.50 C ATOM 1616 NZ LYS A 116 12.130 7.941 -7.342 1.00 3.13 N ATOM 0 H LYS A 116 8.043 6.486 -4.184 1.00 0.50 H new ATOM 0 HA LYS A 116 6.954 9.139 -3.794 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.146 9.907 -4.448 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.300 8.617 -3.272 1.00 0.73 H new ATOM 0 HG2 LYS A 116 9.848 7.017 -5.079 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.658 8.286 -6.273 1.00 1.18 H new ATOM 0 HD2 LYS A 116 11.503 9.567 -5.259 1.00 1.85 H new ATOM 0 HD3 LYS A 116 11.656 8.382 -3.977 1.00 1.85 H new ATOM 0 HE2 LYS A 116 13.370 7.944 -5.628 1.00 2.50 H new ATOM 0 HE3 LYS A 116 12.205 6.635 -5.680 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 12.864 7.446 -7.888 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 11.193 7.587 -7.621 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 12.185 8.962 -7.533 1.00 3.13 H new ATOM 1630 N GLU A 117 7.064 7.742 -6.715 1.00 0.53 N ATOM 1631 CA GLU A 117 6.681 7.851 -8.110 1.00 0.58 C ATOM 1632 C GLU A 117 5.177 8.088 -8.238 1.00 0.57 C ATOM 1633 O GLU A 117 4.722 8.817 -9.117 1.00 0.66 O ATOM 1634 CB GLU A 117 7.105 6.587 -8.859 1.00 0.70 C ATOM 1635 CG GLU A 117 6.651 6.560 -10.295 1.00 1.28 C ATOM 1636 CD GLU A 117 7.192 5.371 -11.058 1.00 1.51 C ATOM 1637 OE1 GLU A 117 6.406 4.459 -11.373 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.409 5.349 -11.351 1.00 1.93 O ATOM 0 H GLU A 117 7.322 6.798 -6.426 1.00 0.53 H new ATOM 0 HA GLU A 117 7.189 8.707 -8.555 1.00 0.58 H new ATOM 0 HB2 GLU A 117 8.191 6.503 -8.828 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.703 5.716 -8.342 1.00 0.70 H new ATOM 0 HG2 GLU A 117 5.562 6.541 -10.327 1.00 1.28 H new ATOM 0 HG3 GLU A 117 6.969 7.478 -10.789 1.00 1.28 H new ATOM 1645 N PHE A 118 4.408 7.479 -7.351 1.00 0.56 N ATOM 1646 CA PHE A 118 2.967 7.691 -7.318 1.00 0.66 C ATOM 1647 C PHE A 118 2.626 9.016 -6.645 1.00 0.73 C ATOM 1648 O PHE A 118 1.512 9.517 -6.763 1.00 0.88 O ATOM 1649 CB PHE A 118 2.272 6.541 -6.601 1.00 0.73 C ATOM 1650 CG PHE A 118 1.909 5.392 -7.503 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.883 4.679 -8.185 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.582 5.027 -7.667 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.539 3.623 -9.009 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.234 3.973 -8.491 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.214 3.272 -9.163 1.00 1.41 C ATOM 0 H PHE A 118 4.756 6.833 -6.643 1.00 0.56 H new ATOM 0 HA PHE A 118 2.609 7.728 -8.347 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.922 6.175 -5.806 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.366 6.917 -6.125 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.922 4.951 -8.071 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.190 5.573 -7.145 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.308 3.073 -9.532 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.804 3.699 -8.609 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.944 2.450 -9.809 1.00 1.41 H new ATOM 1665 N SER A 119 3.587 9.578 -5.932 1.00 0.69 N ATOM 1666 CA SER A 119 3.378 10.846 -5.250 1.00 0.80 C ATOM 1667 C SER A 119 3.484 12.017 -6.222 1.00 0.79 C ATOM 1668 O SER A 119 3.023 13.120 -5.931 1.00 0.90 O ATOM 1669 CB SER A 119 4.394 11.014 -4.121 1.00 0.93 C ATOM 1670 OG SER A 119 4.317 9.934 -3.217 1.00 1.20 O ATOM 0 H SER A 119 4.518 9.179 -5.810 1.00 0.69 H new ATOM 0 HA SER A 119 2.372 10.839 -4.830 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.400 11.076 -4.536 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.208 11.950 -3.594 1.00 0.93 H new ATOM 0 HG SER A 119 4.625 9.115 -3.659 1.00 1.20 H new ATOM 1676 N GLU A 120 4.065 11.770 -7.387 1.00 0.81 N ATOM 1677 CA GLU A 120 4.291 12.830 -8.354 1.00 0.96 C ATOM 1678 C GLU A 120 3.324 12.726 -9.528 1.00 1.17 C ATOM 1679 O GLU A 120 3.608 13.196 -10.629 1.00 1.50 O ATOM 1680 CB GLU A 120 5.748 12.808 -8.835 1.00 1.08 C ATOM 1681 CG GLU A 120 6.256 11.421 -9.183 1.00 1.41 C ATOM 1682 CD GLU A 120 7.721 11.410 -9.551 1.00 2.00 C ATOM 1683 OE1 GLU A 120 8.571 11.450 -8.636 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.031 11.357 -10.757 1.00 2.77 O ATOM 0 H GLU A 120 4.387 10.848 -7.683 1.00 0.81 H new ATOM 0 HA GLU A 120 4.103 13.785 -7.863 1.00 0.96 H new ATOM 0 HB2 GLU A 120 5.842 13.450 -9.711 1.00 1.08 H new ATOM 0 HB3 GLU A 120 6.384 13.234 -8.059 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.094 10.756 -8.335 1.00 1.41 H new ATOM 0 HG3 GLU A 120 5.674 11.024 -10.015 1.00 1.41 H new ATOM 1691 N GLU A 121 2.179 12.107 -9.291 1.00 1.22 N ATOM 1692 CA GLU A 121 1.118 12.074 -10.283 1.00 1.56 C ATOM 1693 C GLU A 121 -0.126 12.755 -9.727 1.00 2.02 C ATOM 1694 O GLU A 121 -0.616 13.709 -10.360 1.00 2.60 O ATOM 1695 CB GLU A 121 0.812 10.637 -10.735 1.00 1.96 C ATOM 1696 CG GLU A 121 0.440 9.686 -9.611 1.00 2.47 C ATOM 1697 CD GLU A 121 0.150 8.285 -10.108 1.00 3.35 C ATOM 1698 OE1 GLU A 121 1.107 7.510 -10.301 1.00 4.00 O ATOM 1699 OE2 GLU A 121 -1.038 7.955 -10.312 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.568 12.379 -8.620 1.00 2.53 O ATOM 0 H GLU A 121 1.961 11.621 -8.421 1.00 1.22 H new ATOM 0 HA GLU A 121 1.452 12.619 -11.166 1.00 1.56 H new ATOM 0 HB2 GLU A 121 -0.005 10.663 -11.456 1.00 1.96 H new ATOM 0 HB3 GLU A 121 1.684 10.240 -11.255 1.00 1.96 H new ATOM 0 HG2 GLU A 121 1.253 9.650 -8.886 1.00 2.47 H new ATOM 0 HG3 GLU A 121 -0.436 10.071 -9.089 1.00 2.47 H new