USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 GLN : amide:sc= -1.91 K(o=-0.82,f=-1.7) USER MOD Set 1.2: A 102 SER OG : rot -69:sc= 1.09 USER MOD Set 2.1: A 95 THR OG1 : rot 33:sc= 1.09 USER MOD Set 2.2: A 128 ASN : amide:sc= -0.0687 K(o=1,f=-1.5!) USER MOD Set 3.1: A 79 ASN : amide:sc= -0.152 K(o=-0.42,f=-3.8!) USER MOD Set 3.2: A 82 THR OG1 : rot 180:sc= -0.265 USER MOD Set 4.1: A 17 GLN : amide:sc= 0.0214 K(o=0.74,f=-2.4) USER MOD Set 4.2: A 94 TYR OH : rot 165:sc= 0.719 USER MOD Set 5.1: A 11 HIS : no HE2:sc= 1.55 K(o=3,f=-8.1!) USER MOD Set 5.2: A 54 ASN : amide:sc= -0.45 K(o=3,f=-1.4!) USER MOD Set 5.3: A 123 TYR OH : rot -137:sc= 1.92 USER MOD Single : A 1 GLN : amide:sc= -0.148 K(o=-0.15,f=-3.4!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.301 K(o=-0.3,f=-0.97) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 43:sc= 1.09 USER MOD Single : A 12 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 23 MET CE :methyl 165:sc= -1.69 (180deg=-3.29) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -54:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= 0.484 K(o=0.48,f=-6.7!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 173:sc= 0.251 USER MOD Single : A 38 ASN : amide:sc= 0.69 K(o=0.69,f=0) USER MOD Single : A 39 SER OG : rot 81:sc= 0.536 USER MOD Single : A 45 ASN : amide:sc= -1.09 K(o=-1.1,f=-11!) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0341 (180deg=-0.257) USER MOD Single : A 63 THR OG1 : rot -93:sc= 0.0215 USER MOD Single : A 69 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.2) USER MOD Single : A 73 SER OG : rot 90:sc= 0.827 USER MOD Single : A 77 SER OG : rot 180:sc= 0.164 USER MOD Single : A 78 TYR OH : rot -101:sc= -0.684 USER MOD Single : A 80 TYR OH : rot -127:sc= 0.856 USER MOD Single : A 83 ASN : amide:sc= 0.0685 K(o=0.068,f=-0.44) USER MOD Single : A 84 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 93 HIS : no HE2:sc= -0.701 K(o=-0.7,f=-2.5!) USER MOD Single : A 101 ASN : amide:sc= 0.378 K(o=0.38,f=-0.32) USER MOD Single : A 120 SER OG : rot 144:sc= 0.85 USER MOD Single : A 122 ASN : amide:sc= 0.567 K(o=0.57,f=-3.3!) USER MOD Single : A 132 GLN : amide:sc= 0.304 K(o=0.3,f=-6.5!) USER MOD Single : A 135 TYR OH : rot -159:sc= 0.954 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.794 10.102 7.193 1.00 1.95 N ATOM 2 CA GLN A 1 -5.267 9.269 6.096 1.00 1.51 C ATOM 3 C GLN A 1 -3.775 8.953 6.276 1.00 1.75 C ATOM 4 O GLN A 1 -2.941 9.309 5.440 1.00 2.30 O ATOM 5 CB GLN A 1 -5.533 9.917 4.743 1.00 1.15 C ATOM 6 CG GLN A 1 -6.937 9.597 4.235 1.00 2.04 C ATOM 7 CD GLN A 1 -7.272 10.527 3.089 1.00 2.55 C ATOM 8 OE1 GLN A 1 -7.115 10.153 1.935 1.00 3.70 O ATOM 9 NE2 GLN A 1 -7.698 11.740 3.390 1.00 2.91 N ATOM 0 H1 GLN A 1 -6.804 10.291 7.031 1.00 1.95 H new ATOM 0 H2 GLN A 1 -5.676 9.601 8.097 1.00 1.95 H new ATOM 0 H3 GLN A 1 -5.274 11.002 7.226 1.00 1.95 H new ATOM 0 HA GLN A 1 -5.800 8.319 6.129 1.00 1.51 H new ATOM 0 HB2 GLN A 1 -5.412 10.997 4.826 1.00 1.15 H new ATOM 0 HB3 GLN A 1 -4.795 9.568 4.020 1.00 1.15 H new ATOM 0 HG2 GLN A 1 -6.990 8.559 3.905 1.00 2.04 H new ATOM 0 HG3 GLN A 1 -7.664 9.714 5.039 1.00 2.04 H new ATOM 0 HE21 GLN A 1 -7.815 12.012 4.366 1.00 2.91 H new ATOM 0 HE22 GLN A 1 -7.910 12.405 2.646 1.00 2.91 H new ATOM 20 N ASN A 2 -3.421 8.252 7.344 1.00 1.66 N ATOM 21 CA ASN A 2 -2.051 7.817 7.604 1.00 1.93 C ATOM 22 C ASN A 2 -2.005 6.456 8.306 1.00 1.64 C ATOM 23 O ASN A 2 -1.039 5.712 8.148 1.00 2.36 O ATOM 24 CB ASN A 2 -1.303 8.892 8.406 1.00 2.65 C ATOM 25 CG ASN A 2 0.048 9.245 7.788 1.00 2.37 C ATOM 26 OD1 ASN A 2 0.793 8.384 7.327 1.00 3.23 O ATOM 27 ND2 ASN A 2 0.352 10.532 7.662 1.00 2.41 N ATOM 0 H ASN A 2 -4.083 7.965 8.065 1.00 1.66 H new ATOM 0 HA ASN A 2 -1.548 7.686 6.646 1.00 1.93 H new ATOM 0 HB2 ASN A 2 -1.918 9.790 8.466 1.00 2.65 H new ATOM 0 HB3 ASN A 2 -1.152 8.540 9.427 1.00 2.65 H new ATOM 0 HD21 ASN A 2 1.207 10.809 7.181 1.00 2.41 H new ATOM 0 HD22 ASN A 2 -0.270 11.243 8.047 1.00 2.41 H new ATOM 34 N SER A 3 -3.072 6.082 9.009 1.00 1.53 N ATOM 35 CA SER A 3 -3.189 4.855 9.775 1.00 1.24 C ATOM 36 C SER A 3 -3.364 3.655 8.831 1.00 0.97 C ATOM 37 O SER A 3 -3.708 3.826 7.658 1.00 1.21 O ATOM 38 CB SER A 3 -4.412 5.047 10.684 1.00 1.36 C ATOM 39 OG SER A 3 -4.171 6.148 11.544 1.00 2.39 O ATOM 0 H SER A 3 -3.914 6.656 9.059 1.00 1.53 H new ATOM 0 HA SER A 3 -2.297 4.651 10.367 1.00 1.24 H new ATOM 0 HB2 SER A 3 -5.305 5.225 10.084 1.00 1.36 H new ATOM 0 HB3 SER A 3 -4.594 4.145 11.268 1.00 1.36 H new ATOM 0 HG SER A 3 -4.946 6.282 12.129 1.00 2.39 H new ATOM 45 N PRO A 4 -3.141 2.427 9.320 1.00 0.77 N ATOM 46 CA PRO A 4 -3.248 1.215 8.523 1.00 0.69 C ATOM 47 C PRO A 4 -4.638 1.082 7.915 1.00 0.55 C ATOM 48 O PRO A 4 -4.762 0.809 6.723 1.00 0.56 O ATOM 49 CB PRO A 4 -2.937 0.068 9.489 1.00 0.88 C ATOM 50 CG PRO A 4 -3.221 0.643 10.873 1.00 1.02 C ATOM 51 CD PRO A 4 -2.791 2.096 10.691 1.00 0.95 C ATOM 0 HA PRO A 4 -2.559 1.218 7.678 1.00 0.69 H new ATOM 0 HB2 PRO A 4 -3.561 -0.802 9.285 1.00 0.88 H new ATOM 0 HB3 PRO A 4 -1.900 -0.256 9.399 1.00 0.88 H new ATOM 0 HG2 PRO A 4 -4.273 0.557 11.145 1.00 1.02 H new ATOM 0 HG3 PRO A 4 -2.648 0.140 11.652 1.00 1.02 H new ATOM 0 HD2 PRO A 4 -3.303 2.750 11.397 1.00 0.95 H new ATOM 0 HD3 PRO A 4 -1.721 2.215 10.864 1.00 0.95 H new ATOM 59 N GLN A 5 -5.687 1.303 8.715 1.00 0.52 N ATOM 60 CA GLN A 5 -7.061 1.201 8.255 1.00 0.49 C ATOM 61 C GLN A 5 -7.328 2.059 7.023 1.00 0.46 C ATOM 62 O GLN A 5 -8.257 1.778 6.273 1.00 0.61 O ATOM 63 CB GLN A 5 -8.039 1.582 9.367 1.00 0.60 C ATOM 64 CG GLN A 5 -8.018 3.058 9.789 1.00 1.90 C ATOM 65 CD GLN A 5 -9.257 3.382 10.612 1.00 2.69 C ATOM 66 OE1 GLN A 5 -9.182 3.517 11.828 1.00 3.42 O ATOM 67 NE2 GLN A 5 -10.420 3.480 9.986 1.00 3.52 N ATOM 0 H GLN A 5 -5.599 1.557 9.699 1.00 0.52 H new ATOM 0 HA GLN A 5 -7.216 0.159 7.976 1.00 0.49 H new ATOM 0 HB2 GLN A 5 -9.048 1.330 9.042 1.00 0.60 H new ATOM 0 HB3 GLN A 5 -7.824 0.969 10.242 1.00 0.60 H new ATOM 0 HG2 GLN A 5 -7.120 3.266 10.371 1.00 1.90 H new ATOM 0 HG3 GLN A 5 -7.980 3.697 8.906 1.00 1.90 H new ATOM 0 HE21 GLN A 5 -10.465 3.365 8.974 1.00 3.52 H new ATOM 0 HE22 GLN A 5 -11.270 3.670 10.516 1.00 3.52 H new ATOM 76 N ASP A 6 -6.568 3.133 6.826 1.00 0.47 N ATOM 77 CA ASP A 6 -6.797 4.020 5.702 1.00 0.65 C ATOM 78 C ASP A 6 -6.403 3.282 4.424 1.00 0.68 C ATOM 79 O ASP A 6 -7.073 3.403 3.403 1.00 0.95 O ATOM 80 CB ASP A 6 -6.030 5.337 5.890 1.00 0.94 C ATOM 81 CG ASP A 6 -6.352 6.020 7.207 1.00 1.50 C ATOM 82 OD1 ASP A 6 -7.521 6.006 7.635 1.00 2.20 O ATOM 83 OD2 ASP A 6 -5.436 6.623 7.797 1.00 2.54 O ATOM 0 H ASP A 6 -5.793 3.405 7.430 1.00 0.47 H new ATOM 0 HA ASP A 6 -7.850 4.293 5.632 1.00 0.65 H new ATOM 0 HB2 ASP A 6 -4.959 5.139 5.840 1.00 0.94 H new ATOM 0 HB3 ASP A 6 -6.268 6.012 5.068 1.00 0.94 H new ATOM 88 N TYR A 7 -5.337 2.480 4.477 1.00 0.54 N ATOM 89 CA TYR A 7 -4.922 1.651 3.359 1.00 0.55 C ATOM 90 C TYR A 7 -5.810 0.411 3.252 1.00 0.46 C ATOM 91 O TYR A 7 -6.272 0.032 2.171 1.00 0.45 O ATOM 92 CB TYR A 7 -3.463 1.237 3.578 1.00 0.65 C ATOM 93 CG TYR A 7 -2.582 1.552 2.402 1.00 0.78 C ATOM 94 CD1 TYR A 7 -2.383 0.570 1.421 1.00 2.64 C ATOM 95 CD2 TYR A 7 -1.869 2.763 2.349 1.00 1.25 C ATOM 96 CE1 TYR A 7 -1.433 0.775 0.413 1.00 3.59 C ATOM 97 CE2 TYR A 7 -0.959 2.987 1.306 1.00 1.61 C ATOM 98 CZ TYR A 7 -0.746 1.991 0.341 1.00 2.76 C ATOM 99 OH TYR A 7 0.156 2.171 -0.651 1.00 3.79 O ATOM 0 H TYR A 7 -4.741 2.392 5.300 1.00 0.54 H new ATOM 0 HA TYR A 7 -5.016 2.214 2.430 1.00 0.55 H new ATOM 0 HB2 TYR A 7 -3.076 1.744 4.462 1.00 0.65 H new ATOM 0 HB3 TYR A 7 -3.421 0.167 3.781 1.00 0.65 H new ATOM 0 HD1 TYR A 7 -2.961 -0.342 1.443 1.00 2.64 H new ATOM 0 HD2 TYR A 7 -2.022 3.516 3.108 1.00 1.25 H new ATOM 0 HE1 TYR A 7 -1.231 -0.004 -0.307 1.00 3.59 H new ATOM 0 HE2 TYR A 7 -0.424 3.923 1.246 1.00 1.61 H new ATOM 0 HH TYR A 7 -0.211 1.828 -1.493 1.00 3.79 H new ATOM 109 N LEU A 8 -5.985 -0.265 4.385 1.00 0.42 N ATOM 110 CA LEU A 8 -6.702 -1.524 4.472 1.00 0.34 C ATOM 111 C LEU A 8 -8.163 -1.350 4.080 1.00 0.31 C ATOM 112 O LEU A 8 -8.740 -2.258 3.484 1.00 0.37 O ATOM 113 CB LEU A 8 -6.566 -2.127 5.876 1.00 0.33 C ATOM 114 CG LEU A 8 -5.373 -3.088 5.976 1.00 0.45 C ATOM 115 CD1 LEU A 8 -5.115 -3.400 7.450 1.00 0.58 C ATOM 116 CD2 LEU A 8 -5.626 -4.413 5.241 1.00 0.56 C ATOM 0 H LEU A 8 -5.624 0.058 5.283 1.00 0.42 H new ATOM 0 HA LEU A 8 -6.255 -2.222 3.763 1.00 0.34 H new ATOM 0 HB2 LEU A 8 -6.448 -1.325 6.605 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -7.482 -2.659 6.133 1.00 0.33 H new ATOM 0 HG LEU A 8 -4.517 -2.600 5.510 1.00 0.45 H new ATOM 0 HD11 LEU A 8 -4.269 -4.082 7.535 1.00 0.58 H new ATOM 0 HD12 LEU A 8 -4.891 -2.476 7.984 1.00 0.58 H new ATOM 0 HD13 LEU A 8 -6.001 -3.864 7.884 1.00 0.58 H new ATOM 0 HD21 LEU A 8 -4.753 -5.057 5.342 1.00 0.56 H new ATOM 0 HD22 LEU A 8 -6.495 -4.909 5.674 1.00 0.56 H new ATOM 0 HD23 LEU A 8 -5.810 -4.214 4.185 1.00 0.56 H new ATOM 128 N ALA A 9 -8.761 -0.203 4.395 1.00 0.31 N ATOM 129 CA ALA A 9 -10.115 0.101 3.974 1.00 0.30 C ATOM 130 C ALA A 9 -10.203 -0.014 2.463 1.00 0.28 C ATOM 131 O ALA A 9 -10.954 -0.838 1.970 1.00 0.39 O ATOM 132 CB ALA A 9 -10.538 1.493 4.437 1.00 0.35 C ATOM 0 H ALA A 9 -8.319 0.533 4.946 1.00 0.31 H new ATOM 0 HA ALA A 9 -10.798 -0.614 4.433 1.00 0.30 H new ATOM 0 HB1 ALA A 9 -11.557 1.692 4.106 1.00 0.35 H new ATOM 0 HB2 ALA A 9 -10.493 1.544 5.525 1.00 0.35 H new ATOM 0 HB3 ALA A 9 -9.866 2.238 4.011 1.00 0.35 H new ATOM 138 N VAL A 10 -9.410 0.762 1.722 1.00 0.25 N ATOM 139 CA VAL A 10 -9.487 0.759 0.264 1.00 0.26 C ATOM 140 C VAL A 10 -9.245 -0.658 -0.276 1.00 0.28 C ATOM 141 O VAL A 10 -9.903 -1.087 -1.220 1.00 0.31 O ATOM 142 CB VAL A 10 -8.515 1.784 -0.346 1.00 0.28 C ATOM 143 CG1 VAL A 10 -8.787 1.969 -1.846 1.00 0.31 C ATOM 144 CG2 VAL A 10 -8.634 3.167 0.299 1.00 0.35 C ATOM 0 H VAL A 10 -8.711 1.397 2.107 1.00 0.25 H new ATOM 0 HA VAL A 10 -10.490 1.062 -0.035 1.00 0.26 H new ATOM 0 HB VAL A 10 -7.518 1.382 -0.167 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -8.088 2.698 -2.255 1.00 0.31 H new ATOM 0 HG12 VAL A 10 -8.659 1.016 -2.359 1.00 0.31 H new ATOM 0 HG13 VAL A 10 -9.807 2.325 -1.990 1.00 0.31 H new ATOM 0 HG21 VAL A 10 -7.925 3.849 -0.170 1.00 0.35 H new ATOM 0 HG22 VAL A 10 -9.647 3.546 0.163 1.00 0.35 H new ATOM 0 HG23 VAL A 10 -8.415 3.092 1.364 1.00 0.35 H new ATOM 154 N HIS A 11 -8.310 -1.402 0.324 1.00 0.30 N ATOM 155 CA HIS A 11 -8.111 -2.801 -0.035 1.00 0.36 C ATOM 156 C HIS A 11 -9.399 -3.612 0.132 1.00 0.34 C ATOM 157 O HIS A 11 -9.771 -4.372 -0.760 1.00 0.41 O ATOM 158 CB HIS A 11 -6.977 -3.421 0.791 1.00 0.43 C ATOM 159 CG HIS A 11 -5.609 -3.070 0.272 1.00 0.43 C ATOM 160 ND1 HIS A 11 -5.003 -1.833 0.319 1.00 0.42 N ATOM 161 CD2 HIS A 11 -4.837 -3.882 -0.514 1.00 0.47 C ATOM 162 CE1 HIS A 11 -3.908 -1.908 -0.461 1.00 0.50 C ATOM 163 NE2 HIS A 11 -3.761 -3.135 -0.985 1.00 0.54 N ATOM 0 H HIS A 11 -7.686 -1.058 1.054 1.00 0.30 H new ATOM 0 HA HIS A 11 -7.830 -2.831 -1.088 1.00 0.36 H new ATOM 0 HB2 HIS A 11 -7.064 -3.087 1.825 1.00 0.43 H new ATOM 0 HB3 HIS A 11 -7.090 -4.505 0.796 1.00 0.43 H new ATOM 0 HD1 HIS A 11 -5.322 -1.018 0.843 1.00 0.42 H new ATOM 0 HD2 HIS A 11 -5.029 -4.922 -0.731 1.00 0.47 H new ATOM 0 HE1 HIS A 11 -3.233 -1.085 -0.642 1.00 0.50 H new ATOM 171 N ASN A 12 -10.039 -3.512 1.294 1.00 0.33 N ATOM 172 CA ASN A 12 -11.235 -4.287 1.607 1.00 0.36 C ATOM 173 C ASN A 12 -12.388 -3.855 0.701 1.00 0.35 C ATOM 174 O ASN A 12 -13.066 -4.717 0.155 1.00 0.35 O ATOM 175 CB ASN A 12 -11.612 -4.155 3.088 1.00 0.48 C ATOM 176 CG ASN A 12 -10.851 -5.142 3.969 1.00 0.68 C ATOM 177 OD1 ASN A 12 -11.266 -6.284 4.150 1.00 1.63 O ATOM 178 ND2 ASN A 12 -9.721 -4.733 4.534 1.00 0.85 N ATOM 0 H ASN A 12 -9.742 -2.890 2.046 1.00 0.33 H new ATOM 0 HA ASN A 12 -11.024 -5.340 1.422 1.00 0.36 H new ATOM 0 HB2 ASN A 12 -11.407 -3.139 3.424 1.00 0.48 H new ATOM 0 HB3 ASN A 12 -12.683 -4.319 3.204 1.00 0.48 H new ATOM 0 HD21 ASN A 12 -9.187 -5.370 5.126 1.00 0.85 H new ATOM 0 HD22 ASN A 12 -9.387 -3.782 4.376 1.00 0.85 H new ATOM 185 N ASP A 13 -12.581 -2.548 0.511 1.00 0.45 N ATOM 186 CA ASP A 13 -13.445 -1.951 -0.507 1.00 0.46 C ATOM 187 C ASP A 13 -13.282 -2.605 -1.866 1.00 0.45 C ATOM 188 O ASP A 13 -14.201 -3.226 -2.389 1.00 0.50 O ATOM 189 CB ASP A 13 -13.212 -0.433 -0.626 1.00 0.52 C ATOM 190 CG ASP A 13 -14.456 0.412 -0.755 1.00 0.67 C ATOM 191 OD1 ASP A 13 -15.572 -0.127 -0.889 1.00 1.56 O ATOM 192 OD2 ASP A 13 -14.282 1.647 -0.862 1.00 1.90 O ATOM 0 H ASP A 13 -12.118 -1.846 1.089 1.00 0.45 H new ATOM 0 HA ASP A 13 -14.468 -2.127 -0.173 1.00 0.46 H new ATOM 0 HB2 ASP A 13 -12.658 -0.099 0.251 1.00 0.52 H new ATOM 0 HB3 ASP A 13 -12.578 -0.248 -1.493 1.00 0.52 H new ATOM 197 N ALA A 14 -12.096 -2.473 -2.446 1.00 0.43 N ATOM 198 CA ALA A 14 -11.838 -2.980 -3.777 1.00 0.46 C ATOM 199 C ALA A 14 -12.111 -4.484 -3.801 1.00 0.44 C ATOM 200 O ALA A 14 -12.788 -4.984 -4.692 1.00 0.56 O ATOM 201 CB ALA A 14 -10.407 -2.618 -4.176 1.00 0.50 C ATOM 0 H ALA A 14 -11.297 -2.015 -2.008 1.00 0.43 H new ATOM 0 HA ALA A 14 -12.501 -2.526 -4.513 1.00 0.46 H new ATOM 0 HB1 ALA A 14 -10.202 -2.996 -5.178 1.00 0.50 H new ATOM 0 HB2 ALA A 14 -10.289 -1.534 -4.165 1.00 0.50 H new ATOM 0 HB3 ALA A 14 -9.708 -3.066 -3.470 1.00 0.50 H new ATOM 207 N ARG A 15 -11.637 -5.217 -2.794 1.00 0.37 N ATOM 208 CA ARG A 15 -11.962 -6.629 -2.672 1.00 0.41 C ATOM 209 C ARG A 15 -13.463 -6.891 -2.532 1.00 0.47 C ATOM 210 O ARG A 15 -13.945 -7.907 -3.029 1.00 0.56 O ATOM 211 CB ARG A 15 -11.177 -7.270 -1.530 1.00 0.37 C ATOM 212 CG ARG A 15 -9.725 -7.528 -1.948 1.00 0.45 C ATOM 213 CD ARG A 15 -9.160 -8.630 -1.060 1.00 1.22 C ATOM 214 NE ARG A 15 -7.812 -9.083 -1.403 1.00 1.34 N ATOM 215 CZ ARG A 15 -6.702 -8.423 -1.078 1.00 1.95 C ATOM 216 NH1 ARG A 15 -6.830 -7.265 -0.426 1.00 2.44 N ATOM 217 NH2 ARG A 15 -5.504 -8.904 -1.411 1.00 3.12 N ATOM 0 H ARG A 15 -11.031 -4.855 -2.058 1.00 0.37 H new ATOM 0 HA ARG A 15 -11.661 -7.100 -3.608 1.00 0.41 H new ATOM 0 HB2 ARG A 15 -11.199 -6.618 -0.657 1.00 0.37 H new ATOM 0 HB3 ARG A 15 -11.649 -8.208 -1.239 1.00 0.37 H new ATOM 0 HG2 ARG A 15 -9.678 -7.824 -2.996 1.00 0.45 H new ATOM 0 HG3 ARG A 15 -9.133 -6.618 -1.847 1.00 0.45 H new ATOM 0 HD2 ARG A 15 -9.155 -8.276 -0.029 1.00 1.22 H new ATOM 0 HD3 ARG A 15 -9.834 -9.486 -1.099 1.00 1.22 H new ATOM 0 HE ARG A 15 -7.717 -9.956 -1.922 1.00 1.34 H new ATOM 0 HH11 ARG A 15 -7.758 -6.911 -0.192 1.00 2.44 H new ATOM 0 HH12 ARG A 15 -6.000 -6.734 -0.162 1.00 2.44 H new ATOM 0 HH21 ARG A 15 -5.432 -9.785 -1.919 1.00 3.12 H new ATOM 0 HH22 ARG A 15 -4.660 -8.391 -1.157 1.00 3.12 H new ATOM 231 N ALA A 16 -14.214 -6.010 -1.877 1.00 0.53 N ATOM 232 CA ALA A 16 -15.655 -6.149 -1.755 1.00 0.57 C ATOM 233 C ALA A 16 -16.255 -6.038 -3.149 1.00 0.57 C ATOM 234 O ALA A 16 -17.080 -6.862 -3.539 1.00 0.62 O ATOM 235 CB ALA A 16 -16.237 -5.087 -0.813 1.00 0.63 C ATOM 0 H ALA A 16 -13.837 -5.181 -1.417 1.00 0.53 H new ATOM 0 HA ALA A 16 -15.901 -7.118 -1.320 1.00 0.57 H new ATOM 0 HB1 ALA A 16 -17.317 -5.216 -0.742 1.00 0.63 H new ATOM 0 HB2 ALA A 16 -15.792 -5.195 0.176 1.00 0.63 H new ATOM 0 HB3 ALA A 16 -16.016 -4.094 -1.203 1.00 0.63 H new ATOM 241 N GLN A 17 -15.786 -5.054 -3.912 1.00 0.57 N ATOM 242 CA GLN A 17 -16.312 -4.713 -5.219 1.00 0.69 C ATOM 243 C GLN A 17 -16.142 -5.842 -6.243 1.00 0.81 C ATOM 244 O GLN A 17 -16.816 -5.836 -7.273 1.00 1.16 O ATOM 245 CB GLN A 17 -15.805 -3.318 -5.635 1.00 0.94 C ATOM 246 CG GLN A 17 -14.801 -3.319 -6.785 1.00 1.99 C ATOM 247 CD GLN A 17 -14.209 -1.944 -7.104 1.00 2.63 C ATOM 248 OE1 GLN A 17 -13.760 -1.729 -8.226 1.00 3.63 O ATOM 249 NE2 GLN A 17 -14.169 -1.004 -6.167 1.00 2.63 N ATOM 0 H GLN A 17 -15.009 -4.459 -3.625 1.00 0.57 H new ATOM 0 HA GLN A 17 -17.397 -4.623 -5.170 1.00 0.69 H new ATOM 0 HB2 GLN A 17 -16.661 -2.706 -5.919 1.00 0.94 H new ATOM 0 HB3 GLN A 17 -15.345 -2.841 -4.770 1.00 0.94 H new ATOM 0 HG2 GLN A 17 -13.989 -4.004 -6.542 1.00 1.99 H new ATOM 0 HG3 GLN A 17 -15.290 -3.708 -7.678 1.00 1.99 H new ATOM 0 HE21 GLN A 17 -14.545 -1.194 -5.238 1.00 2.63 H new ATOM 0 HE22 GLN A 17 -13.762 -0.092 -6.376 1.00 2.63 H new ATOM 258 N VAL A 18 -15.275 -6.823 -5.982 1.00 0.64 N ATOM 259 CA VAL A 18 -15.176 -8.044 -6.779 1.00 0.70 C ATOM 260 C VAL A 18 -15.621 -9.284 -5.995 1.00 0.79 C ATOM 261 O VAL A 18 -15.890 -10.327 -6.587 1.00 1.29 O ATOM 262 CB VAL A 18 -13.756 -8.200 -7.323 1.00 0.66 C ATOM 263 CG1 VAL A 18 -13.513 -7.218 -8.474 1.00 0.84 C ATOM 264 CG2 VAL A 18 -12.679 -8.022 -6.262 1.00 0.61 C ATOM 0 H VAL A 18 -14.617 -6.790 -5.204 1.00 0.64 H new ATOM 0 HA VAL A 18 -15.862 -7.953 -7.621 1.00 0.70 H new ATOM 0 HB VAL A 18 -13.681 -9.226 -7.683 1.00 0.66 H new ATOM 0 HG11 VAL A 18 -12.497 -7.342 -8.850 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -14.224 -7.415 -9.277 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -13.645 -6.197 -8.115 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -11.696 -8.146 -6.717 1.00 0.61 H new ATOM 0 HG22 VAL A 18 -12.756 -7.024 -5.829 1.00 0.61 H new ATOM 0 HG23 VAL A 18 -12.813 -8.768 -5.479 1.00 0.61 H new ATOM 274 N GLY A 19 -15.672 -9.206 -4.668 1.00 0.61 N ATOM 275 CA GLY A 19 -15.833 -10.371 -3.823 1.00 0.65 C ATOM 276 C GLY A 19 -14.562 -11.212 -3.901 1.00 0.88 C ATOM 277 O GLY A 19 -14.522 -12.224 -4.602 1.00 1.67 O ATOM 0 H GLY A 19 -15.602 -8.328 -4.154 1.00 0.61 H new ATOM 0 HA2 GLY A 19 -16.023 -10.068 -2.793 1.00 0.65 H new ATOM 0 HA3 GLY A 19 -16.694 -10.956 -4.146 1.00 0.65 H new ATOM 281 N VAL A 20 -13.505 -10.776 -3.214 1.00 0.52 N ATOM 282 CA VAL A 20 -12.338 -11.597 -2.890 1.00 0.59 C ATOM 283 C VAL A 20 -12.079 -11.483 -1.382 1.00 0.73 C ATOM 284 O VAL A 20 -12.462 -10.488 -0.773 1.00 0.76 O ATOM 285 CB VAL A 20 -11.129 -11.165 -3.734 1.00 0.73 C ATOM 286 CG1 VAL A 20 -9.904 -12.027 -3.410 1.00 1.16 C ATOM 287 CG2 VAL A 20 -11.410 -11.317 -5.233 1.00 0.66 C ATOM 0 H VAL A 20 -13.435 -9.822 -2.860 1.00 0.52 H new ATOM 0 HA VAL A 20 -12.519 -12.644 -3.132 1.00 0.59 H new ATOM 0 HB VAL A 20 -10.939 -10.119 -3.493 1.00 0.73 H new ATOM 0 HG11 VAL A 20 -9.060 -11.703 -4.019 1.00 1.16 H new ATOM 0 HG12 VAL A 20 -9.652 -11.920 -2.355 1.00 1.16 H new ATOM 0 HG13 VAL A 20 -10.127 -13.072 -3.625 1.00 1.16 H new ATOM 0 HG21 VAL A 20 -10.534 -11.003 -5.801 1.00 0.66 H new ATOM 0 HG22 VAL A 20 -11.633 -12.360 -5.457 1.00 0.66 H new ATOM 0 HG23 VAL A 20 -12.263 -10.696 -5.508 1.00 0.66 H new ATOM 297 N GLY A 21 -11.486 -12.500 -0.754 1.00 0.88 N ATOM 298 CA GLY A 21 -11.383 -12.583 0.700 1.00 0.99 C ATOM 299 C GLY A 21 -10.474 -11.508 1.312 1.00 0.94 C ATOM 300 O GLY A 21 -9.705 -10.866 0.605 1.00 0.84 O ATOM 0 H GLY A 21 -11.064 -13.290 -1.242 1.00 0.88 H new ATOM 0 HA2 GLY A 21 -12.380 -12.494 1.133 1.00 0.99 H new ATOM 0 HA3 GLY A 21 -11.003 -13.567 0.974 1.00 0.99 H new ATOM 304 N PRO A 22 -10.559 -11.277 2.628 1.00 1.11 N ATOM 305 CA PRO A 22 -9.973 -10.113 3.289 1.00 1.04 C ATOM 306 C PRO A 22 -8.456 -10.225 3.515 1.00 0.94 C ATOM 307 O PRO A 22 -7.794 -11.140 3.018 1.00 1.12 O ATOM 308 CB PRO A 22 -10.737 -10.020 4.618 1.00 1.37 C ATOM 309 CG PRO A 22 -11.015 -11.494 4.929 1.00 1.64 C ATOM 310 CD PRO A 22 -11.373 -12.043 3.554 1.00 1.43 C ATOM 0 HA PRO A 22 -10.070 -9.220 2.671 1.00 1.04 H new ATOM 0 HB2 PRO A 22 -10.143 -9.543 5.398 1.00 1.37 H new ATOM 0 HB3 PRO A 22 -11.657 -9.443 4.521 1.00 1.37 H new ATOM 0 HG2 PRO A 22 -10.144 -11.993 5.354 1.00 1.64 H new ATOM 0 HG3 PRO A 22 -11.831 -11.614 5.642 1.00 1.64 H new ATOM 0 HD2 PRO A 22 -11.155 -13.109 3.484 1.00 1.43 H new ATOM 0 HD3 PRO A 22 -12.435 -11.920 3.343 1.00 1.43 H new ATOM 318 N MET A 23 -7.913 -9.268 4.276 1.00 0.80 N ATOM 319 CA MET A 23 -6.540 -9.205 4.761 1.00 0.69 C ATOM 320 C MET A 23 -6.505 -8.342 6.026 1.00 0.58 C ATOM 321 O MET A 23 -7.528 -7.752 6.389 1.00 0.67 O ATOM 322 CB MET A 23 -5.622 -8.602 3.692 1.00 0.65 C ATOM 323 CG MET A 23 -6.215 -7.374 2.990 1.00 0.73 C ATOM 324 SD MET A 23 -5.021 -6.413 2.029 1.00 1.12 S ATOM 325 CE MET A 23 -4.018 -7.747 1.342 1.00 0.88 C ATOM 0 H MET A 23 -8.462 -8.467 4.587 1.00 0.80 H new ATOM 0 HA MET A 23 -6.187 -10.211 4.986 1.00 0.69 H new ATOM 0 HB2 MET A 23 -4.675 -8.323 4.154 1.00 0.65 H new ATOM 0 HB3 MET A 23 -5.400 -9.364 2.945 1.00 0.65 H new ATOM 0 HG2 MET A 23 -7.017 -7.701 2.328 1.00 0.73 H new ATOM 0 HG3 MET A 23 -6.666 -6.724 3.740 1.00 0.73 H new ATOM 0 HE1 MET A 23 -3.410 -7.361 0.524 1.00 0.88 H new ATOM 0 HE2 MET A 23 -3.368 -8.150 2.118 1.00 0.88 H new ATOM 0 HE3 MET A 23 -4.670 -8.537 0.968 1.00 0.88 H new ATOM 335 N SER A 24 -5.340 -8.230 6.661 1.00 0.65 N ATOM 336 CA SER A 24 -5.061 -7.341 7.779 1.00 0.73 C ATOM 337 C SER A 24 -3.616 -6.818 7.711 1.00 0.51 C ATOM 338 O SER A 24 -2.938 -7.007 6.699 1.00 0.54 O ATOM 339 CB SER A 24 -5.493 -8.011 9.098 1.00 1.18 C ATOM 340 OG SER A 24 -4.404 -8.519 9.840 1.00 1.24 O ATOM 0 H SER A 24 -4.527 -8.786 6.394 1.00 0.65 H new ATOM 0 HA SER A 24 -5.662 -6.433 7.723 1.00 0.73 H new ATOM 0 HB2 SER A 24 -6.034 -7.287 9.707 1.00 1.18 H new ATOM 0 HB3 SER A 24 -6.186 -8.823 8.877 1.00 1.18 H new ATOM 0 HG SER A 24 -4.734 -8.931 10.666 1.00 1.24 H new ATOM 346 N TRP A 25 -3.175 -6.102 8.751 1.00 0.49 N ATOM 347 CA TRP A 25 -1.886 -5.421 8.776 1.00 0.47 C ATOM 348 C TRP A 25 -0.822 -6.406 9.256 1.00 0.49 C ATOM 349 O TRP A 25 -0.819 -6.756 10.437 1.00 1.12 O ATOM 350 CB TRP A 25 -1.932 -4.217 9.730 1.00 0.51 C ATOM 351 CG TRP A 25 -0.914 -3.158 9.430 1.00 0.51 C ATOM 352 CD1 TRP A 25 0.115 -2.738 10.202 1.00 0.54 C ATOM 353 CD2 TRP A 25 -0.877 -2.328 8.245 1.00 0.49 C ATOM 354 NE1 TRP A 25 0.716 -1.641 9.610 1.00 0.54 N ATOM 355 CE2 TRP A 25 0.133 -1.336 8.397 1.00 0.50 C ATOM 356 CE3 TRP A 25 -1.647 -2.292 7.072 1.00 0.50 C ATOM 357 CZ2 TRP A 25 0.317 -0.311 7.454 1.00 0.54 C ATOM 358 CZ3 TRP A 25 -1.474 -1.282 6.126 1.00 0.52 C ATOM 359 CH2 TRP A 25 -0.540 -0.254 6.339 1.00 0.55 C ATOM 0 H TRP A 25 -3.714 -5.981 9.608 1.00 0.49 H new ATOM 0 HA TRP A 25 -1.649 -5.062 7.774 1.00 0.47 H new ATOM 0 HB2 TRP A 25 -2.926 -3.772 9.688 1.00 0.51 H new ATOM 0 HB3 TRP A 25 -1.783 -4.570 10.750 1.00 0.51 H new ATOM 0 HD1 TRP A 25 0.420 -3.189 11.135 1.00 0.54 H new ATOM 0 HE1 TRP A 25 1.493 -1.122 10.019 1.00 0.54 H new ATOM 0 HE3 TRP A 25 -2.386 -3.060 6.899 1.00 0.50 H new ATOM 0 HZ2 TRP A 25 1.102 0.420 7.582 1.00 0.54 H new ATOM 0 HZ3 TRP A 25 -2.063 -1.290 5.221 1.00 0.52 H new ATOM 0 HH2 TRP A 25 -0.480 0.576 5.650 1.00 0.55 H new ATOM 370 N ASP A 26 0.083 -6.835 8.388 1.00 0.64 N ATOM 371 CA ASP A 26 1.292 -7.538 8.781 1.00 0.71 C ATOM 372 C ASP A 26 2.322 -6.466 9.147 1.00 0.81 C ATOM 373 O ASP A 26 2.707 -5.639 8.315 1.00 1.31 O ATOM 374 CB ASP A 26 1.741 -8.452 7.635 1.00 0.78 C ATOM 375 CG ASP A 26 3.053 -9.165 7.910 1.00 1.80 C ATOM 376 OD1 ASP A 26 3.954 -8.516 8.469 1.00 2.74 O ATOM 377 OD2 ASP A 26 3.171 -10.351 7.535 1.00 2.80 O ATOM 0 H ASP A 26 -0.004 -6.702 7.380 1.00 0.64 H new ATOM 0 HA ASP A 26 1.144 -8.189 9.643 1.00 0.71 H new ATOM 0 HB2 ASP A 26 0.965 -9.194 7.447 1.00 0.78 H new ATOM 0 HB3 ASP A 26 1.842 -7.859 6.726 1.00 0.78 H new ATOM 382 N ALA A 27 2.724 -6.424 10.416 1.00 0.76 N ATOM 383 CA ALA A 27 3.676 -5.438 10.893 1.00 0.81 C ATOM 384 C ALA A 27 5.059 -5.658 10.279 1.00 0.80 C ATOM 385 O ALA A 27 5.807 -4.691 10.129 1.00 0.79 O ATOM 386 CB ALA A 27 3.737 -5.432 12.422 1.00 0.88 C ATOM 0 H ALA A 27 2.398 -7.071 11.134 1.00 0.76 H new ATOM 0 HA ALA A 27 3.330 -4.456 10.571 1.00 0.81 H new ATOM 0 HB1 ALA A 27 4.458 -4.685 12.754 1.00 0.88 H new ATOM 0 HB2 ALA A 27 2.753 -5.192 12.824 1.00 0.88 H new ATOM 0 HB3 ALA A 27 4.044 -6.415 12.778 1.00 0.88 H new ATOM 392 N ASN A 28 5.428 -6.889 9.921 1.00 0.83 N ATOM 393 CA ASN A 28 6.692 -7.155 9.252 1.00 0.87 C ATOM 394 C ASN A 28 6.641 -6.524 7.871 1.00 0.72 C ATOM 395 O ASN A 28 7.584 -5.839 7.482 1.00 0.74 O ATOM 396 CB ASN A 28 7.003 -8.652 9.104 1.00 1.03 C ATOM 397 CG ASN A 28 7.005 -9.390 10.429 1.00 1.25 C ATOM 398 OD1 ASN A 28 6.042 -10.071 10.771 1.00 2.47 O ATOM 399 ND2 ASN A 28 8.078 -9.282 11.197 1.00 2.02 N ATOM 0 H ASN A 28 4.861 -7.720 10.087 1.00 0.83 H new ATOM 0 HA ASN A 28 7.484 -6.729 9.869 1.00 0.87 H new ATOM 0 HB2 ASN A 28 6.266 -9.107 8.442 1.00 1.03 H new ATOM 0 HB3 ASN A 28 7.976 -8.770 8.627 1.00 1.03 H new ATOM 0 HD21 ASN A 28 8.116 -9.770 12.092 1.00 2.02 H new ATOM 0 HD22 ASN A 28 8.867 -8.711 10.894 1.00 2.02 H new ATOM 406 N LEU A 29 5.559 -6.711 7.123 1.00 0.61 N ATOM 407 CA LEU A 29 5.408 -6.054 5.839 1.00 0.52 C ATOM 408 C LEU A 29 5.483 -4.546 6.012 1.00 0.39 C ATOM 409 O LEU A 29 6.219 -3.876 5.294 1.00 0.34 O ATOM 410 CB LEU A 29 4.077 -6.436 5.197 1.00 0.55 C ATOM 411 CG LEU A 29 4.044 -7.860 4.639 1.00 0.79 C ATOM 412 CD1 LEU A 29 2.767 -7.996 3.818 1.00 1.30 C ATOM 413 CD2 LEU A 29 5.244 -8.110 3.730 1.00 0.54 C ATOM 0 H LEU A 29 4.778 -7.311 7.387 1.00 0.61 H new ATOM 0 HA LEU A 29 6.218 -6.380 5.187 1.00 0.52 H new ATOM 0 HB2 LEU A 29 3.284 -6.328 5.937 1.00 0.55 H new ATOM 0 HB3 LEU A 29 3.859 -5.735 4.391 1.00 0.55 H new ATOM 0 HG LEU A 29 4.076 -8.580 5.457 1.00 0.79 H new ATOM 0 HD11 LEU A 29 2.707 -9.002 3.402 1.00 1.30 H new ATOM 0 HD12 LEU A 29 1.903 -7.816 4.457 1.00 1.30 H new ATOM 0 HD13 LEU A 29 2.777 -7.268 3.007 1.00 1.30 H new ATOM 0 HD21 LEU A 29 5.202 -9.128 3.344 1.00 0.54 H new ATOM 0 HD22 LEU A 29 5.224 -7.405 2.899 1.00 0.54 H new ATOM 0 HD23 LEU A 29 6.165 -7.975 4.298 1.00 0.54 H new ATOM 425 N ALA A 30 4.735 -4.004 6.971 1.00 0.39 N ATOM 426 CA ALA A 30 4.746 -2.573 7.222 1.00 0.38 C ATOM 427 C ALA A 30 6.169 -2.084 7.499 1.00 0.43 C ATOM 428 O ALA A 30 6.596 -1.067 6.953 1.00 0.41 O ATOM 429 CB ALA A 30 3.766 -2.244 8.347 1.00 0.47 C ATOM 0 H ALA A 30 4.117 -4.536 7.583 1.00 0.39 H new ATOM 0 HA ALA A 30 4.411 -2.037 6.334 1.00 0.38 H new ATOM 0 HB1 ALA A 30 3.775 -1.170 8.535 1.00 0.47 H new ATOM 0 HB2 ALA A 30 2.762 -2.553 8.057 1.00 0.47 H new ATOM 0 HB3 ALA A 30 4.061 -2.773 9.253 1.00 0.47 H new ATOM 435 N SER A 31 6.918 -2.825 8.316 1.00 0.57 N ATOM 436 CA SER A 31 8.288 -2.493 8.628 1.00 0.66 C ATOM 437 C SER A 31 9.138 -2.508 7.353 1.00 0.61 C ATOM 438 O SER A 31 9.863 -1.554 7.090 1.00 0.61 O ATOM 439 CB SER A 31 8.791 -3.426 9.735 1.00 0.82 C ATOM 440 OG SER A 31 9.231 -4.674 9.264 1.00 1.20 O ATOM 0 H SER A 31 6.582 -3.671 8.775 1.00 0.57 H new ATOM 0 HA SER A 31 8.367 -1.478 9.018 1.00 0.66 H new ATOM 0 HB2 SER A 31 9.609 -2.938 10.265 1.00 0.82 H new ATOM 0 HB3 SER A 31 7.991 -3.582 10.458 1.00 0.82 H new ATOM 0 HG SER A 31 8.525 -5.088 8.726 1.00 1.20 H new ATOM 446 N ARG A 32 9.031 -3.563 6.536 1.00 0.63 N ATOM 447 CA ARG A 32 9.731 -3.674 5.271 1.00 0.67 C ATOM 448 C ARG A 32 9.449 -2.470 4.389 1.00 0.51 C ATOM 449 O ARG A 32 10.365 -1.856 3.852 1.00 0.53 O ATOM 450 CB ARG A 32 9.256 -4.922 4.519 1.00 0.92 C ATOM 451 CG ARG A 32 10.428 -5.651 3.860 1.00 0.88 C ATOM 452 CD ARG A 32 10.735 -6.945 4.609 1.00 1.61 C ATOM 453 NE ARG A 32 11.935 -6.847 5.452 1.00 2.67 N ATOM 454 CZ ARG A 32 12.597 -7.917 5.908 1.00 3.42 C ATOM 455 NH1 ARG A 32 12.069 -9.131 5.757 1.00 3.75 N ATOM 456 NH2 ARG A 32 13.781 -7.740 6.479 1.00 4.42 N ATOM 0 H ARG A 32 8.444 -4.370 6.747 1.00 0.63 H new ATOM 0 HA ARG A 32 10.798 -3.734 5.488 1.00 0.67 H new ATOM 0 HB2 ARG A 32 8.748 -5.595 5.210 1.00 0.92 H new ATOM 0 HB3 ARG A 32 8.528 -4.637 3.759 1.00 0.92 H new ATOM 0 HG2 ARG A 32 10.189 -5.873 2.820 1.00 0.88 H new ATOM 0 HG3 ARG A 32 11.308 -5.008 3.855 1.00 0.88 H new ATOM 0 HD2 ARG A 32 9.880 -7.210 5.232 1.00 1.61 H new ATOM 0 HD3 ARG A 32 10.868 -7.753 3.889 1.00 1.61 H new ATOM 0 HE ARG A 32 12.279 -5.920 5.701 1.00 2.67 H new ATOM 0 HH11 ARG A 32 11.166 -9.241 5.296 1.00 3.75 H new ATOM 0 HH12 ARG A 32 12.568 -9.951 6.102 1.00 3.75 H new ATOM 0 HH21 ARG A 32 14.171 -6.801 6.564 1.00 4.42 H new ATOM 0 HH22 ARG A 32 14.302 -8.543 6.833 1.00 4.42 H new ATOM 470 N ALA A 33 8.172 -2.168 4.191 1.00 0.43 N ATOM 471 CA ALA A 33 7.753 -1.127 3.285 1.00 0.43 C ATOM 472 C ALA A 33 8.310 0.202 3.781 1.00 0.41 C ATOM 473 O ALA A 33 8.902 0.944 2.997 1.00 0.47 O ATOM 474 CB ALA A 33 6.231 -1.132 3.175 1.00 0.43 C ATOM 0 H ALA A 33 7.402 -2.645 4.660 1.00 0.43 H new ATOM 0 HA ALA A 33 8.142 -1.294 2.281 1.00 0.43 H new ATOM 0 HB1 ALA A 33 5.913 -0.346 2.490 1.00 0.43 H new ATOM 0 HB2 ALA A 33 5.897 -2.098 2.798 1.00 0.43 H new ATOM 0 HB3 ALA A 33 5.795 -0.956 4.158 1.00 0.43 H new ATOM 480 N GLN A 34 8.160 0.499 5.075 1.00 0.42 N ATOM 481 CA GLN A 34 8.662 1.750 5.619 1.00 0.49 C ATOM 482 C GLN A 34 10.186 1.811 5.525 1.00 0.50 C ATOM 483 O GLN A 34 10.722 2.851 5.157 1.00 0.57 O ATOM 484 CB GLN A 34 8.118 2.017 7.034 1.00 0.63 C ATOM 485 CG GLN A 34 8.468 3.414 7.588 1.00 0.88 C ATOM 486 CD GLN A 34 7.987 4.579 6.714 1.00 1.04 C ATOM 487 OE1 GLN A 34 8.400 4.740 5.571 1.00 2.56 O ATOM 488 NE2 GLN A 34 7.086 5.423 7.193 1.00 1.86 N ATOM 0 H GLN A 34 7.699 -0.107 5.754 1.00 0.42 H new ATOM 0 HA GLN A 34 8.284 2.569 5.007 1.00 0.49 H new ATOM 0 HB2 GLN A 34 7.034 1.903 7.023 1.00 0.63 H new ATOM 0 HB3 GLN A 34 8.511 1.260 7.712 1.00 0.63 H new ATOM 0 HG2 GLN A 34 8.033 3.517 8.582 1.00 0.88 H new ATOM 0 HG3 GLN A 34 9.549 3.485 7.705 1.00 0.88 H new ATOM 0 HE21 GLN A 34 6.730 5.305 8.142 1.00 1.86 H new ATOM 0 HE22 GLN A 34 6.747 6.191 6.613 1.00 1.86 H new ATOM 497 N ASN A 35 10.883 0.711 5.811 1.00 0.50 N ATOM 498 CA ASN A 35 12.312 0.574 5.539 1.00 0.60 C ATOM 499 C ASN A 35 12.597 0.936 4.090 1.00 0.62 C ATOM 500 O ASN A 35 13.481 1.737 3.831 1.00 0.68 O ATOM 501 CB ASN A 35 12.817 -0.863 5.780 1.00 0.86 C ATOM 502 CG ASN A 35 13.441 -1.089 7.147 1.00 1.24 C ATOM 503 OD1 ASN A 35 12.920 -0.657 8.169 1.00 1.49 O ATOM 504 ND2 ASN A 35 14.577 -1.772 7.199 1.00 2.66 N ATOM 0 H ASN A 35 10.468 -0.115 6.241 1.00 0.50 H new ATOM 0 HA ASN A 35 12.831 1.246 6.223 1.00 0.60 H new ATOM 0 HB2 ASN A 35 11.983 -1.554 5.656 1.00 0.86 H new ATOM 0 HB3 ASN A 35 13.552 -1.110 5.014 1.00 0.86 H new ATOM 0 HD21 ASN A 35 15.028 -1.944 8.098 1.00 2.66 H new ATOM 0 HD22 ASN A 35 14.999 -2.126 6.340 1.00 2.66 H new ATOM 511 N TYR A 36 11.875 0.343 3.143 1.00 0.73 N ATOM 512 CA TYR A 36 12.156 0.505 1.728 1.00 0.85 C ATOM 513 C TYR A 36 12.013 1.976 1.357 1.00 0.84 C ATOM 514 O TYR A 36 12.922 2.568 0.782 1.00 0.93 O ATOM 515 CB TYR A 36 11.235 -0.396 0.892 1.00 0.97 C ATOM 516 CG TYR A 36 11.732 -0.655 -0.515 1.00 0.86 C ATOM 517 CD1 TYR A 36 12.766 -1.587 -0.721 1.00 1.78 C ATOM 518 CD2 TYR A 36 11.106 -0.050 -1.622 1.00 2.07 C ATOM 519 CE1 TYR A 36 13.124 -1.965 -2.025 1.00 2.04 C ATOM 520 CE2 TYR A 36 11.475 -0.421 -2.928 1.00 2.04 C ATOM 521 CZ TYR A 36 12.416 -1.447 -3.119 1.00 1.29 C ATOM 522 OH TYR A 36 12.765 -1.818 -4.386 1.00 1.68 O ATOM 0 H TYR A 36 11.079 -0.263 3.340 1.00 0.73 H new ATOM 0 HA TYR A 36 13.179 0.197 1.512 1.00 0.85 H new ATOM 0 HB2 TYR A 36 11.116 -1.350 1.405 1.00 0.97 H new ATOM 0 HB3 TYR A 36 10.248 0.063 0.838 1.00 0.97 H new ATOM 0 HD1 TYR A 36 13.285 -2.012 0.125 1.00 1.78 H new ATOM 0 HD2 TYR A 36 10.343 0.699 -1.468 1.00 2.07 H new ATOM 0 HE1 TYR A 36 13.942 -2.652 -2.185 1.00 2.04 H new ATOM 0 HE2 TYR A 36 11.038 0.080 -3.779 1.00 2.04 H new ATOM 0 HH TYR A 36 12.114 -1.457 -5.024 1.00 1.68 H new ATOM 532 N ALA A 37 10.880 2.578 1.719 1.00 0.80 N ATOM 533 CA ALA A 37 10.635 3.993 1.505 1.00 0.90 C ATOM 534 C ALA A 37 11.756 4.821 2.135 1.00 0.87 C ATOM 535 O ALA A 37 12.306 5.705 1.490 1.00 1.05 O ATOM 536 CB ALA A 37 9.265 4.379 2.070 1.00 0.92 C ATOM 0 H ALA A 37 10.106 2.090 2.171 1.00 0.80 H new ATOM 0 HA ALA A 37 10.627 4.202 0.435 1.00 0.90 H new ATOM 0 HB1 ALA A 37 9.090 5.442 1.905 1.00 0.92 H new ATOM 0 HB2 ALA A 37 8.489 3.801 1.569 1.00 0.92 H new ATOM 0 HB3 ALA A 37 9.240 4.169 3.139 1.00 0.92 H new ATOM 542 N ASN A 38 12.103 4.530 3.388 1.00 0.70 N ATOM 543 CA ASN A 38 13.156 5.225 4.122 1.00 0.72 C ATOM 544 C ASN A 38 14.466 5.173 3.349 1.00 0.73 C ATOM 545 O ASN A 38 15.072 6.201 3.059 1.00 0.82 O ATOM 546 CB ASN A 38 13.344 4.629 5.525 1.00 0.70 C ATOM 547 CG ASN A 38 12.597 5.432 6.581 1.00 0.89 C ATOM 548 OD1 ASN A 38 13.182 6.257 7.280 1.00 1.94 O ATOM 549 ND2 ASN A 38 11.296 5.218 6.701 1.00 1.36 N ATOM 0 H ASN A 38 11.652 3.792 3.929 1.00 0.70 H new ATOM 0 HA ASN A 38 12.853 6.266 4.235 1.00 0.72 H new ATOM 0 HB2 ASN A 38 12.990 3.598 5.533 1.00 0.70 H new ATOM 0 HB3 ASN A 38 14.406 4.603 5.771 1.00 0.70 H new ATOM 0 HD21 ASN A 38 10.754 5.744 7.386 1.00 1.36 H new ATOM 0 HD22 ASN A 38 10.836 4.527 6.108 1.00 1.36 H new ATOM 556 N SER A 39 14.926 3.975 3.012 1.00 0.70 N ATOM 557 CA SER A 39 16.159 3.795 2.276 1.00 0.84 C ATOM 558 C SER A 39 16.096 4.490 0.915 1.00 1.05 C ATOM 559 O SER A 39 17.097 5.014 0.432 1.00 1.26 O ATOM 560 CB SER A 39 16.447 2.306 2.115 1.00 1.01 C ATOM 561 OG SER A 39 16.376 1.652 3.372 1.00 1.70 O ATOM 0 H SER A 39 14.450 3.103 3.244 1.00 0.70 H new ATOM 0 HA SER A 39 16.972 4.254 2.838 1.00 0.84 H new ATOM 0 HB2 SER A 39 15.729 1.862 1.425 1.00 1.01 H new ATOM 0 HB3 SER A 39 17.436 2.165 1.679 1.00 1.01 H new ATOM 0 HG SER A 39 15.438 1.477 3.597 1.00 1.70 H new ATOM 567 N ARG A 40 14.924 4.485 0.286 1.00 1.16 N ATOM 568 CA ARG A 40 14.720 5.159 -0.980 1.00 1.52 C ATOM 569 C ARG A 40 14.525 6.663 -0.800 1.00 1.57 C ATOM 570 O ARG A 40 14.563 7.369 -1.798 1.00 1.88 O ATOM 571 CB ARG A 40 13.547 4.525 -1.746 1.00 1.88 C ATOM 572 CG ARG A 40 13.846 3.080 -2.174 1.00 1.85 C ATOM 573 CD ARG A 40 14.821 2.990 -3.358 1.00 1.71 C ATOM 574 NE ARG A 40 15.446 1.659 -3.403 1.00 2.42 N ATOM 575 CZ ARG A 40 14.962 0.566 -4.006 1.00 3.34 C ATOM 576 NH1 ARG A 40 13.947 0.669 -4.859 1.00 3.73 N ATOM 577 NH2 ARG A 40 15.467 -0.641 -3.760 1.00 4.93 N ATOM 0 H ARG A 40 14.094 4.013 0.644 1.00 1.16 H new ATOM 0 HA ARG A 40 15.624 5.030 -1.575 1.00 1.52 H new ATOM 0 HB2 ARG A 40 12.656 4.539 -1.119 1.00 1.88 H new ATOM 0 HB3 ARG A 40 13.325 5.125 -2.629 1.00 1.88 H new ATOM 0 HG2 ARG A 40 14.262 2.535 -1.326 1.00 1.85 H new ATOM 0 HG3 ARG A 40 12.912 2.586 -2.442 1.00 1.85 H new ATOM 0 HD2 ARG A 40 14.290 3.182 -4.291 1.00 1.71 H new ATOM 0 HD3 ARG A 40 15.589 3.757 -3.265 1.00 1.71 H new ATOM 0 HE ARG A 40 16.341 1.558 -2.925 1.00 2.42 H new ATOM 0 HH11 ARG A 40 13.536 1.582 -5.055 1.00 3.73 H new ATOM 0 HH12 ARG A 40 13.580 -0.165 -5.318 1.00 3.73 H new ATOM 0 HH21 ARG A 40 16.238 -0.747 -3.101 1.00 4.93 H new ATOM 0 HH22 ARG A 40 15.083 -1.460 -4.231 1.00 4.93 H new ATOM 591 N ALA A 41 14.329 7.191 0.407 1.00 1.77 N ATOM 592 CA ALA A 41 14.044 8.608 0.600 1.00 1.88 C ATOM 593 C ALA A 41 15.104 9.474 -0.082 1.00 1.94 C ATOM 594 O ALA A 41 14.793 10.433 -0.788 1.00 2.44 O ATOM 595 CB ALA A 41 13.956 8.922 2.093 1.00 1.89 C ATOM 0 H ALA A 41 14.363 6.651 1.272 1.00 1.77 H new ATOM 0 HA ALA A 41 13.084 8.839 0.139 1.00 1.88 H new ATOM 0 HB1 ALA A 41 13.743 9.982 2.230 1.00 1.89 H new ATOM 0 HB2 ALA A 41 13.159 8.331 2.543 1.00 1.89 H new ATOM 0 HB3 ALA A 41 14.904 8.678 2.573 1.00 1.89 H new ATOM 601 N GLY A 42 16.373 9.134 0.112 1.00 2.13 N ATOM 602 CA GLY A 42 17.472 9.871 -0.477 1.00 2.33 C ATOM 603 C GLY A 42 17.505 9.765 -2.006 1.00 2.14 C ATOM 604 O GLY A 42 18.154 10.583 -2.659 1.00 2.27 O ATOM 0 H GLY A 42 16.663 8.340 0.682 1.00 2.13 H new ATOM 0 HA2 GLY A 42 17.395 10.920 -0.191 1.00 2.33 H new ATOM 0 HA3 GLY A 42 18.413 9.499 -0.071 1.00 2.33 H new ATOM 608 N ASP A 43 16.898 8.730 -2.594 1.00 2.02 N ATOM 609 CA ASP A 43 17.130 8.320 -3.973 1.00 2.06 C ATOM 610 C ASP A 43 15.832 8.361 -4.785 1.00 1.76 C ATOM 611 O ASP A 43 15.701 9.118 -5.748 1.00 2.53 O ATOM 612 CB ASP A 43 17.722 6.906 -3.964 1.00 2.62 C ATOM 613 CG ASP A 43 17.512 6.240 -5.302 1.00 2.45 C ATOM 614 OD1 ASP A 43 18.065 6.757 -6.297 1.00 3.01 O ATOM 615 OD2 ASP A 43 16.737 5.263 -5.336 1.00 3.26 O ATOM 0 H ASP A 43 16.218 8.144 -2.110 1.00 2.02 H new ATOM 0 HA ASP A 43 17.827 9.010 -4.447 1.00 2.06 H new ATOM 0 HB2 ASP A 43 18.787 6.952 -3.737 1.00 2.62 H new ATOM 0 HB3 ASP A 43 17.254 6.314 -3.178 1.00 2.62 H new ATOM 620 N CYS A 44 14.879 7.523 -4.396 1.00 1.29 N ATOM 621 CA CYS A 44 13.572 7.351 -5.003 1.00 1.19 C ATOM 622 C CYS A 44 13.711 6.876 -6.445 1.00 1.59 C ATOM 623 O CYS A 44 13.167 7.477 -7.373 1.00 2.53 O ATOM 624 CB CYS A 44 12.690 8.598 -4.835 1.00 1.46 C ATOM 625 SG CYS A 44 11.937 8.752 -3.203 1.00 1.88 S ATOM 0 H CYS A 44 15.011 6.906 -3.594 1.00 1.29 H new ATOM 0 HA CYS A 44 13.040 6.563 -4.470 1.00 1.19 H new ATOM 0 HB2 CYS A 44 13.292 9.485 -5.031 1.00 1.46 H new ATOM 0 HB3 CYS A 44 11.901 8.576 -5.587 1.00 1.46 H new ATOM 630 N ASN A 45 14.416 5.759 -6.644 1.00 1.86 N ATOM 631 CA ASN A 45 14.532 5.146 -7.971 1.00 2.44 C ATOM 632 C ASN A 45 13.194 4.652 -8.514 1.00 2.17 C ATOM 633 O ASN A 45 12.992 4.617 -9.721 1.00 3.35 O ATOM 634 CB ASN A 45 15.587 4.035 -8.033 1.00 2.99 C ATOM 635 CG ASN A 45 15.160 2.692 -7.450 1.00 4.51 C ATOM 636 OD1 ASN A 45 14.147 2.553 -6.763 1.00 5.55 O ATOM 637 ND2 ASN A 45 15.910 1.652 -7.763 1.00 5.59 N ATOM 0 H ASN A 45 14.914 5.262 -5.906 1.00 1.86 H new ATOM 0 HA ASN A 45 14.874 5.951 -8.621 1.00 2.44 H new ATOM 0 HB2 ASN A 45 15.871 3.885 -9.075 1.00 2.99 H new ATOM 0 HB3 ASN A 45 16.478 4.374 -7.505 1.00 2.99 H new ATOM 0 HD21 ASN A 45 15.653 0.721 -7.435 1.00 5.59 H new ATOM 0 HD22 ASN A 45 16.747 1.779 -8.333 1.00 5.59 H new ATOM 644 N LEU A 46 12.269 4.278 -7.626 1.00 2.16 N ATOM 645 CA LEU A 46 10.955 3.758 -7.971 1.00 1.77 C ATOM 646 C LEU A 46 11.012 2.677 -9.067 1.00 1.53 C ATOM 647 O LEU A 46 10.110 2.565 -9.892 1.00 1.74 O ATOM 648 CB LEU A 46 10.058 4.959 -8.324 1.00 2.39 C ATOM 649 CG LEU A 46 8.761 5.003 -7.509 1.00 1.98 C ATOM 650 CD1 LEU A 46 8.425 6.452 -7.157 1.00 3.48 C ATOM 651 CD2 LEU A 46 7.618 4.376 -8.311 1.00 1.38 C ATOM 0 H LEU A 46 12.424 4.333 -6.619 1.00 2.16 H new ATOM 0 HA LEU A 46 10.522 3.231 -7.120 1.00 1.77 H new ATOM 0 HB2 LEU A 46 10.615 5.881 -8.159 1.00 2.39 H new ATOM 0 HB3 LEU A 46 9.812 4.921 -9.385 1.00 2.39 H new ATOM 0 HG LEU A 46 8.895 4.435 -6.589 1.00 1.98 H new ATOM 0 HD11 LEU A 46 7.502 6.481 -6.577 1.00 3.48 H new ATOM 0 HD12 LEU A 46 9.236 6.881 -6.569 1.00 3.48 H new ATOM 0 HD13 LEU A 46 8.296 7.029 -8.073 1.00 3.48 H new ATOM 0 HD21 LEU A 46 6.700 4.411 -7.725 1.00 1.38 H new ATOM 0 HD22 LEU A 46 7.478 4.931 -9.239 1.00 1.38 H new ATOM 0 HD23 LEU A 46 7.862 3.339 -8.542 1.00 1.38 H new ATOM 718 N ALA A 51 8.557 -9.086 -6.658 1.00 1.89 N ATOM 719 CA ALA A 51 7.100 -9.177 -6.698 1.00 1.38 C ATOM 720 C ALA A 51 6.540 -8.648 -5.371 1.00 1.34 C ATOM 721 O ALA A 51 7.270 -8.026 -4.600 1.00 2.69 O ATOM 722 CB ALA A 51 6.695 -10.633 -6.964 1.00 1.72 C ATOM 0 HA ALA A 51 6.687 -8.570 -7.504 1.00 1.38 H new ATOM 0 HB1 ALA A 51 5.608 -10.708 -6.995 1.00 1.72 H new ATOM 0 HB2 ALA A 51 7.109 -10.957 -7.919 1.00 1.72 H new ATOM 0 HB3 ALA A 51 7.080 -11.269 -6.167 1.00 1.72 H new ATOM 728 N GLY A 52 5.263 -8.893 -5.084 1.00 0.85 N ATOM 729 CA GLY A 52 4.704 -8.600 -3.774 1.00 0.69 C ATOM 730 C GLY A 52 4.605 -7.114 -3.466 1.00 0.68 C ATOM 731 O GLY A 52 4.595 -6.762 -2.293 1.00 1.55 O ATOM 0 H GLY A 52 4.598 -9.294 -5.745 1.00 0.85 H new ATOM 0 HA2 GLY A 52 3.710 -9.042 -3.706 1.00 0.69 H new ATOM 0 HA3 GLY A 52 5.319 -9.079 -3.012 1.00 0.69 H new ATOM 735 N GLU A 53 4.568 -6.237 -4.476 1.00 0.61 N ATOM 736 CA GLU A 53 4.481 -4.802 -4.241 1.00 0.65 C ATOM 737 C GLU A 53 3.881 -4.072 -5.439 1.00 0.77 C ATOM 738 O GLU A 53 3.824 -4.600 -6.555 1.00 1.00 O ATOM 739 CB GLU A 53 5.879 -4.261 -3.922 1.00 0.70 C ATOM 740 CG GLU A 53 5.890 -3.131 -2.884 1.00 1.70 C ATOM 741 CD GLU A 53 7.264 -2.904 -2.292 1.00 2.31 C ATOM 742 OE1 GLU A 53 7.945 -3.923 -2.039 1.00 2.66 O ATOM 743 OE2 GLU A 53 7.658 -1.734 -2.158 1.00 3.58 O ATOM 0 H GLU A 53 4.597 -6.501 -5.461 1.00 0.61 H new ATOM 0 HA GLU A 53 3.817 -4.626 -3.394 1.00 0.65 H new ATOM 0 HB2 GLU A 53 6.500 -5.080 -3.559 1.00 0.70 H new ATOM 0 HB3 GLU A 53 6.336 -3.899 -4.843 1.00 0.70 H new ATOM 0 HG2 GLU A 53 5.542 -2.210 -3.351 1.00 1.70 H new ATOM 0 HG3 GLU A 53 5.188 -3.369 -2.085 1.00 1.70 H new ATOM 750 N ASN A 54 3.477 -2.831 -5.201 1.00 0.85 N ATOM 751 CA ASN A 54 3.088 -1.819 -6.175 1.00 1.02 C ATOM 752 C ASN A 54 3.306 -0.498 -5.450 1.00 0.84 C ATOM 753 O ASN A 54 2.951 -0.400 -4.278 1.00 1.15 O ATOM 754 CB ASN A 54 1.641 -1.991 -6.658 1.00 1.58 C ATOM 755 CG ASN A 54 0.781 -2.837 -5.736 1.00 1.43 C ATOM 756 OD1 ASN A 54 0.841 -4.055 -5.813 1.00 3.36 O ATOM 757 ND2 ASN A 54 -0.023 -2.229 -4.885 1.00 1.23 N ATOM 0 H ASN A 54 3.407 -2.478 -4.247 1.00 0.85 H new ATOM 0 HA ASN A 54 3.676 -1.887 -7.091 1.00 1.02 H new ATOM 0 HB2 ASN A 54 1.184 -1.007 -6.763 1.00 1.58 H new ATOM 0 HB3 ASN A 54 1.651 -2.446 -7.649 1.00 1.58 H new ATOM 0 HD21 ASN A 54 -0.619 -2.778 -4.265 1.00 1.23 H new ATOM 0 HD22 ASN A 54 -0.048 -1.210 -4.846 1.00 1.23 H new ATOM 764 N LEU A 55 3.951 0.474 -6.092 1.00 0.66 N ATOM 765 CA LEU A 55 4.358 1.712 -5.437 1.00 0.45 C ATOM 766 C LEU A 55 3.422 2.853 -5.828 1.00 0.44 C ATOM 767 O LEU A 55 2.711 2.777 -6.836 1.00 0.50 O ATOM 768 CB LEU A 55 5.794 2.091 -5.834 1.00 0.55 C ATOM 769 CG LEU A 55 6.855 0.992 -5.649 1.00 0.67 C ATOM 770 CD1 LEU A 55 8.229 1.525 -6.070 1.00 1.04 C ATOM 771 CD2 LEU A 55 6.959 0.556 -4.192 1.00 0.63 C ATOM 0 H LEU A 55 4.205 0.424 -7.079 1.00 0.66 H new ATOM 0 HA LEU A 55 4.311 1.550 -4.360 1.00 0.45 H new ATOM 0 HB2 LEU A 55 5.793 2.395 -6.881 1.00 0.55 H new ATOM 0 HB3 LEU A 55 6.094 2.961 -5.250 1.00 0.55 H new ATOM 0 HG LEU A 55 6.554 0.143 -6.263 1.00 0.67 H new ATOM 0 HD11 LEU A 55 8.978 0.744 -5.938 1.00 1.04 H new ATOM 0 HD12 LEU A 55 8.198 1.824 -7.118 1.00 1.04 H new ATOM 0 HD13 LEU A 55 8.490 2.386 -5.454 1.00 1.04 H new ATOM 0 HD21 LEU A 55 7.718 -0.221 -4.098 1.00 0.63 H new ATOM 0 HD22 LEU A 55 7.237 1.411 -3.575 1.00 0.63 H new ATOM 0 HD23 LEU A 55 5.997 0.166 -3.859 1.00 0.63 H new ATOM 783 N ALA A 56 3.478 3.947 -5.075 1.00 0.49 N ATOM 784 CA ALA A 56 3.012 5.251 -5.507 1.00 0.44 C ATOM 785 C ALA A 56 4.151 6.248 -5.292 1.00 0.44 C ATOM 786 O ALA A 56 4.948 6.093 -4.360 1.00 0.65 O ATOM 787 CB ALA A 56 1.752 5.638 -4.734 1.00 0.47 C ATOM 0 H ALA A 56 3.857 3.947 -4.128 1.00 0.49 H new ATOM 0 HA ALA A 56 2.742 5.244 -6.563 1.00 0.44 H new ATOM 0 HB1 ALA A 56 1.409 6.618 -5.065 1.00 0.47 H new ATOM 0 HB2 ALA A 56 0.971 4.900 -4.917 1.00 0.47 H new ATOM 0 HB3 ALA A 56 1.975 5.672 -3.668 1.00 0.47 H new ATOM 793 N LYS A 57 4.247 7.231 -6.187 1.00 0.59 N ATOM 794 CA LYS A 57 5.065 8.418 -6.012 1.00 0.69 C ATOM 795 C LYS A 57 4.114 9.551 -5.646 1.00 0.76 C ATOM 796 O LYS A 57 2.989 9.587 -6.149 1.00 1.08 O ATOM 797 CB LYS A 57 5.879 8.697 -7.286 1.00 1.10 C ATOM 798 CG LYS A 57 5.165 9.503 -8.381 1.00 1.47 C ATOM 799 CD LYS A 57 5.738 9.182 -9.770 1.00 2.13 C ATOM 800 CE LYS A 57 5.227 7.834 -10.309 1.00 3.20 C ATOM 801 NZ LYS A 57 3.775 7.858 -10.582 1.00 4.92 N ATOM 0 H LYS A 57 3.743 7.218 -7.074 1.00 0.59 H new ATOM 0 HA LYS A 57 5.802 8.297 -5.218 1.00 0.69 H new ATOM 0 HB2 LYS A 57 6.786 9.231 -7.003 1.00 1.10 H new ATOM 0 HB3 LYS A 57 6.190 7.742 -7.710 1.00 1.10 H new ATOM 0 HG2 LYS A 57 4.098 9.279 -8.364 1.00 1.47 H new ATOM 0 HG3 LYS A 57 5.270 10.569 -8.179 1.00 1.47 H new ATOM 0 HD2 LYS A 57 5.468 9.976 -10.466 1.00 2.13 H new ATOM 0 HD3 LYS A 57 6.827 9.162 -9.717 1.00 2.13 H new ATOM 0 HE2 LYS A 57 5.763 7.583 -11.224 1.00 3.20 H new ATOM 0 HE3 LYS A 57 5.446 7.048 -9.586 1.00 3.20 H new ATOM 0 HZ1 LYS A 57 3.522 7.049 -11.184 1.00 4.92 H new ATOM 0 HZ2 LYS A 57 3.252 7.799 -9.685 1.00 4.92 H new ATOM 0 HZ3 LYS A 57 3.528 8.743 -11.069 1.00 4.92 H new ATOM 815 N GLY A 58 4.526 10.444 -4.757 1.00 0.96 N ATOM 816 CA GLY A 58 3.644 11.486 -4.279 1.00 1.45 C ATOM 817 C GLY A 58 3.520 12.637 -5.271 1.00 1.12 C ATOM 818 O GLY A 58 3.538 12.459 -6.491 1.00 2.49 O ATOM 0 H GLY A 58 5.464 10.464 -4.356 1.00 0.96 H new ATOM 0 HA2 GLY A 58 2.657 11.065 -4.089 1.00 1.45 H new ATOM 0 HA3 GLY A 58 4.017 11.867 -3.328 1.00 1.45 H new ATOM 822 N GLY A 59 3.372 13.835 -4.724 1.00 1.25 N ATOM 823 CA GLY A 59 3.180 15.071 -5.457 1.00 2.09 C ATOM 824 C GLY A 59 3.119 16.155 -4.396 1.00 1.73 C ATOM 825 O GLY A 59 4.160 16.514 -3.839 1.00 2.39 O ATOM 0 H GLY A 59 3.383 13.974 -3.714 1.00 1.25 H new ATOM 0 HA2 GLY A 59 3.999 15.247 -6.154 1.00 2.09 H new ATOM 0 HA3 GLY A 59 2.262 15.042 -6.045 1.00 2.09 H new ATOM 829 N GLY A 60 1.913 16.519 -3.970 1.00 1.84 N ATOM 830 CA GLY A 60 1.677 17.337 -2.788 1.00 1.69 C ATOM 831 C GLY A 60 0.734 16.573 -1.871 1.00 1.85 C ATOM 832 O GLY A 60 -0.142 15.877 -2.376 1.00 3.22 O ATOM 0 H GLY A 60 1.055 16.247 -4.449 1.00 1.84 H new ATOM 0 HA2 GLY A 60 2.616 17.550 -2.278 1.00 1.69 H new ATOM 0 HA3 GLY A 60 1.242 18.296 -3.069 1.00 1.69 H new ATOM 836 N ASP A 61 0.905 16.674 -0.549 1.00 1.52 N ATOM 837 CA ASP A 61 -0.020 16.155 0.465 1.00 1.67 C ATOM 838 C ASP A 61 -0.454 14.701 0.261 1.00 1.29 C ATOM 839 O ASP A 61 -1.549 14.289 0.649 1.00 1.39 O ATOM 840 CB ASP A 61 -1.220 17.093 0.620 1.00 2.32 C ATOM 841 CG ASP A 61 -2.112 17.159 -0.609 1.00 2.59 C ATOM 842 OD1 ASP A 61 -2.758 16.151 -0.968 1.00 3.20 O ATOM 843 OD2 ASP A 61 -2.156 18.248 -1.218 1.00 3.14 O ATOM 0 H ASP A 61 1.718 17.135 -0.141 1.00 1.52 H new ATOM 0 HA ASP A 61 0.544 16.133 1.398 1.00 1.67 H new ATOM 0 HB2 ASP A 61 -1.816 16.767 1.472 1.00 2.32 H new ATOM 0 HB3 ASP A 61 -0.858 18.095 0.849 1.00 2.32 H new ATOM 848 N PHE A 62 0.426 13.899 -0.328 1.00 1.06 N ATOM 849 CA PHE A 62 0.025 12.597 -0.820 1.00 0.85 C ATOM 850 C PHE A 62 -0.289 11.643 0.330 1.00 0.77 C ATOM 851 O PHE A 62 0.593 11.330 1.135 1.00 1.26 O ATOM 852 CB PHE A 62 1.072 12.040 -1.775 1.00 0.90 C ATOM 853 CG PHE A 62 0.523 10.892 -2.586 1.00 0.81 C ATOM 854 CD1 PHE A 62 0.515 9.600 -2.044 1.00 1.88 C ATOM 855 CD2 PHE A 62 -0.092 11.131 -3.826 1.00 1.48 C ATOM 856 CE1 PHE A 62 0.035 8.527 -2.806 1.00 1.97 C ATOM 857 CE2 PHE A 62 -0.557 10.054 -4.597 1.00 1.51 C ATOM 858 CZ PHE A 62 -0.449 8.746 -4.104 1.00 1.02 C ATOM 0 H PHE A 62 1.409 14.128 -0.473 1.00 1.06 H new ATOM 0 HA PHE A 62 -0.899 12.709 -1.387 1.00 0.85 H new ATOM 0 HB2 PHE A 62 1.413 12.830 -2.444 1.00 0.90 H new ATOM 0 HB3 PHE A 62 1.941 11.705 -1.209 1.00 0.90 H new ATOM 0 HD1 PHE A 62 0.878 9.432 -1.041 1.00 1.88 H new ATOM 0 HD2 PHE A 62 -0.207 12.143 -4.186 1.00 1.48 H new ATOM 0 HE1 PHE A 62 0.038 7.529 -2.393 1.00 1.97 H new ATOM 0 HE2 PHE A 62 -0.997 10.232 -5.567 1.00 1.51 H new ATOM 0 HZ PHE A 62 -0.738 7.909 -4.722 1.00 1.02 H new ATOM 868 N THR A 63 -1.539 11.197 0.408 1.00 0.76 N ATOM 869 CA THR A 63 -2.036 10.284 1.419 1.00 0.62 C ATOM 870 C THR A 63 -1.697 8.838 1.053 1.00 0.76 C ATOM 871 O THR A 63 -1.604 8.484 -0.117 1.00 1.49 O ATOM 872 CB THR A 63 -3.555 10.469 1.523 1.00 0.64 C ATOM 873 OG1 THR A 63 -4.151 10.480 0.242 1.00 0.86 O ATOM 874 CG2 THR A 63 -3.892 11.771 2.249 1.00 0.96 C ATOM 0 H THR A 63 -2.258 11.476 -0.260 1.00 0.76 H new ATOM 0 HA THR A 63 -1.566 10.499 2.378 1.00 0.62 H new ATOM 0 HB THR A 63 -3.951 9.628 2.092 1.00 0.64 H new ATOM 0 HG1 THR A 63 -4.226 11.404 -0.076 1.00 0.86 H new ATOM 0 HG21 THR A 63 -4.974 11.883 2.312 1.00 0.96 H new ATOM 0 HG22 THR A 63 -3.471 11.747 3.254 1.00 0.96 H new ATOM 0 HG23 THR A 63 -3.472 12.613 1.700 1.00 0.96 H new ATOM 882 N GLY A 64 -1.586 7.955 2.048 1.00 0.62 N ATOM 883 CA GLY A 64 -1.467 6.532 1.760 1.00 0.62 C ATOM 884 C GLY A 64 -2.686 6.050 0.968 1.00 0.53 C ATOM 885 O GLY A 64 -2.558 5.308 0.000 1.00 0.65 O ATOM 0 H GLY A 64 -1.576 8.197 3.039 1.00 0.62 H new ATOM 0 HA2 GLY A 64 -0.557 6.343 1.191 1.00 0.62 H new ATOM 0 HA3 GLY A 64 -1.383 5.971 2.691 1.00 0.62 H new ATOM 889 N ARG A 65 -3.877 6.515 1.351 1.00 0.45 N ATOM 890 CA ARG A 65 -5.120 6.187 0.665 1.00 0.54 C ATOM 891 C ARG A 65 -4.999 6.508 -0.828 1.00 0.66 C ATOM 892 O ARG A 65 -5.373 5.680 -1.658 1.00 0.69 O ATOM 893 CB ARG A 65 -6.298 6.948 1.296 1.00 0.60 C ATOM 894 CG ARG A 65 -7.650 6.419 0.793 1.00 0.96 C ATOM 895 CD ARG A 65 -8.711 7.522 0.691 1.00 1.73 C ATOM 896 NE ARG A 65 -10.000 7.027 0.167 1.00 2.32 N ATOM 897 CZ ARG A 65 -10.949 6.403 0.881 1.00 2.32 C ATOM 898 NH1 ARG A 65 -10.729 6.110 2.164 1.00 2.70 N ATOM 899 NH2 ARG A 65 -12.113 6.090 0.314 1.00 3.14 N ATOM 0 H ARG A 65 -4.003 7.134 2.152 1.00 0.45 H new ATOM 0 HA ARG A 65 -5.311 5.119 0.772 1.00 0.54 H new ATOM 0 HB2 ARG A 65 -6.252 6.856 2.381 1.00 0.60 H new ATOM 0 HB3 ARG A 65 -6.213 8.009 1.063 1.00 0.60 H new ATOM 0 HG2 ARG A 65 -7.515 5.958 -0.185 1.00 0.96 H new ATOM 0 HG3 ARG A 65 -8.005 5.639 1.467 1.00 0.96 H new ATOM 0 HD2 ARG A 65 -8.869 7.961 1.676 1.00 1.73 H new ATOM 0 HD3 ARG A 65 -8.341 8.317 0.043 1.00 1.73 H new ATOM 0 HE ARG A 65 -10.185 7.172 -0.825 1.00 2.32 H new ATOM 0 HH11 ARG A 65 -9.841 6.360 2.599 1.00 2.70 H new ATOM 0 HH12 ARG A 65 -11.449 5.636 2.709 1.00 2.70 H new ATOM 0 HH21 ARG A 65 -12.283 6.325 -0.664 1.00 3.14 H new ATOM 0 HH22 ARG A 65 -12.834 5.616 0.858 1.00 3.14 H new ATOM 913 N ALA A 66 -4.478 7.695 -1.169 1.00 0.74 N ATOM 914 CA ALA A 66 -4.304 8.095 -2.561 1.00 0.87 C ATOM 915 C ALA A 66 -3.528 7.036 -3.340 1.00 0.80 C ATOM 916 O ALA A 66 -3.845 6.795 -4.495 1.00 0.80 O ATOM 917 CB ALA A 66 -3.622 9.462 -2.682 1.00 1.08 C ATOM 0 H ALA A 66 -4.170 8.393 -0.492 1.00 0.74 H new ATOM 0 HA ALA A 66 -5.299 8.186 -2.996 1.00 0.87 H new ATOM 0 HB1 ALA A 66 -3.512 9.722 -3.735 1.00 1.08 H new ATOM 0 HB2 ALA A 66 -4.230 10.217 -2.184 1.00 1.08 H new ATOM 0 HB3 ALA A 66 -2.639 9.421 -2.214 1.00 1.08 H new ATOM 923 N ALA A 67 -2.548 6.368 -2.728 1.00 0.80 N ATOM 924 CA ALA A 67 -1.817 5.299 -3.394 1.00 0.83 C ATOM 925 C ALA A 67 -2.780 4.209 -3.860 1.00 0.62 C ATOM 926 O ALA A 67 -2.868 3.915 -5.050 1.00 0.59 O ATOM 927 CB ALA A 67 -0.781 4.703 -2.434 1.00 1.02 C ATOM 0 H ALA A 67 -2.245 6.552 -1.771 1.00 0.80 H new ATOM 0 HA ALA A 67 -1.306 5.711 -4.264 1.00 0.83 H new ATOM 0 HB1 ALA A 67 -0.237 3.904 -2.937 1.00 1.02 H new ATOM 0 HB2 ALA A 67 -0.082 5.480 -2.125 1.00 1.02 H new ATOM 0 HB3 ALA A 67 -1.287 4.301 -1.556 1.00 1.02 H new ATOM 933 N VAL A 68 -3.524 3.612 -2.930 1.00 0.55 N ATOM 934 CA VAL A 68 -4.427 2.524 -3.276 1.00 0.47 C ATOM 935 C VAL A 68 -5.443 3.019 -4.292 1.00 0.39 C ATOM 936 O VAL A 68 -5.725 2.362 -5.283 1.00 0.39 O ATOM 937 CB VAL A 68 -5.116 1.924 -2.041 1.00 0.42 C ATOM 938 CG1 VAL A 68 -5.749 0.577 -2.427 1.00 0.41 C ATOM 939 CG2 VAL A 68 -4.110 1.667 -0.925 1.00 0.47 C ATOM 0 H VAL A 68 -3.518 3.863 -1.941 1.00 0.55 H new ATOM 0 HA VAL A 68 -3.840 1.718 -3.717 1.00 0.47 H new ATOM 0 HB VAL A 68 -5.869 2.631 -1.692 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -6.241 0.143 -1.556 1.00 0.41 H new ATOM 0 HG12 VAL A 68 -6.483 0.733 -3.218 1.00 0.41 H new ATOM 0 HG13 VAL A 68 -4.973 -0.102 -2.781 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -4.624 1.242 -0.063 1.00 0.47 H new ATOM 0 HG22 VAL A 68 -3.349 0.969 -1.274 1.00 0.47 H new ATOM 0 HG23 VAL A 68 -3.636 2.606 -0.639 1.00 0.47 H new ATOM 949 N GLN A 69 -5.981 4.204 -4.055 1.00 0.42 N ATOM 950 CA GLN A 69 -6.917 4.847 -4.951 1.00 0.45 C ATOM 951 C GLN A 69 -6.293 5.100 -6.331 1.00 0.51 C ATOM 952 O GLN A 69 -7.003 5.087 -7.339 1.00 0.62 O ATOM 953 CB GLN A 69 -7.370 6.129 -4.255 1.00 0.59 C ATOM 954 CG GLN A 69 -8.288 5.785 -3.070 1.00 0.76 C ATOM 955 CD GLN A 69 -9.761 5.669 -3.437 1.00 1.27 C ATOM 956 OE1 GLN A 69 -10.251 6.335 -4.345 1.00 2.31 O ATOM 957 NE2 GLN A 69 -10.523 4.894 -2.683 1.00 2.57 N ATOM 0 H GLN A 69 -5.774 4.752 -3.220 1.00 0.42 H new ATOM 0 HA GLN A 69 -7.779 4.210 -5.152 1.00 0.45 H new ATOM 0 HB2 GLN A 69 -6.503 6.688 -3.904 1.00 0.59 H new ATOM 0 HB3 GLN A 69 -7.898 6.770 -4.961 1.00 0.59 H new ATOM 0 HG2 GLN A 69 -7.959 4.843 -2.631 1.00 0.76 H new ATOM 0 HG3 GLN A 69 -8.175 6.551 -2.303 1.00 0.76 H new ATOM 0 HE21 GLN A 69 -10.106 4.345 -1.931 1.00 2.57 H new ATOM 0 HE22 GLN A 69 -11.528 4.846 -2.853 1.00 2.57 H new ATOM 966 N LEU A 70 -4.979 5.325 -6.411 1.00 0.55 N ATOM 967 CA LEU A 70 -4.332 5.653 -7.663 1.00 0.64 C ATOM 968 C LEU A 70 -4.270 4.324 -8.413 1.00 0.62 C ATOM 969 O LEU A 70 -4.641 4.253 -9.578 1.00 0.69 O ATOM 970 CB LEU A 70 -2.984 6.344 -7.359 1.00 0.73 C ATOM 971 CG LEU A 70 -1.959 6.528 -8.486 1.00 0.91 C ATOM 972 CD1 LEU A 70 -1.198 5.276 -8.924 1.00 2.16 C ATOM 973 CD2 LEU A 70 -2.631 7.217 -9.668 1.00 2.02 C ATOM 0 H LEU A 70 -4.347 5.283 -5.611 1.00 0.55 H new ATOM 0 HA LEU A 70 -4.849 6.374 -8.297 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -3.207 7.332 -6.955 1.00 0.73 H new ATOM 0 HB3 LEU A 70 -2.498 5.777 -6.565 1.00 0.73 H new ATOM 0 HG LEU A 70 -1.173 7.154 -8.065 1.00 0.91 H new ATOM 0 HD11 LEU A 70 -0.505 5.533 -9.725 1.00 2.16 H new ATOM 0 HD12 LEU A 70 -0.642 4.874 -8.077 1.00 2.16 H new ATOM 0 HD13 LEU A 70 -1.905 4.528 -9.283 1.00 2.16 H new ATOM 0 HD21 LEU A 70 -1.907 7.350 -10.472 1.00 2.02 H new ATOM 0 HD22 LEU A 70 -3.459 6.604 -10.024 1.00 2.02 H new ATOM 0 HD23 LEU A 70 -3.009 8.190 -9.355 1.00 2.02 H new ATOM 985 N TRP A 71 -3.926 3.239 -7.724 1.00 0.60 N ATOM 986 CA TRP A 71 -3.943 1.892 -8.285 1.00 0.63 C ATOM 987 C TRP A 71 -5.345 1.526 -8.767 1.00 0.67 C ATOM 988 O TRP A 71 -5.532 1.097 -9.896 1.00 0.95 O ATOM 989 CB TRP A 71 -3.422 0.910 -7.230 1.00 0.63 C ATOM 990 CG TRP A 71 -2.115 1.308 -6.611 1.00 0.64 C ATOM 991 CD1 TRP A 71 -1.245 2.202 -7.127 1.00 0.70 C ATOM 992 CD2 TRP A 71 -1.569 0.942 -5.313 1.00 0.66 C ATOM 993 NE1 TRP A 71 -0.307 2.529 -6.180 1.00 0.71 N ATOM 994 CE2 TRP A 71 -0.389 1.705 -5.081 1.00 0.74 C ATOM 995 CE3 TRP A 71 -1.975 0.068 -4.288 1.00 0.69 C ATOM 996 CZ2 TRP A 71 0.372 1.561 -3.914 1.00 0.89 C ATOM 997 CZ3 TRP A 71 -1.193 -0.126 -3.140 1.00 0.83 C ATOM 998 CH2 TRP A 71 0.024 0.556 -3.005 1.00 1.03 C ATOM 0 H TRP A 71 -3.624 3.271 -6.750 1.00 0.60 H new ATOM 0 HA TRP A 71 -3.291 1.843 -9.157 1.00 0.63 H new ATOM 0 HB2 TRP A 71 -4.169 0.811 -6.442 1.00 0.63 H new ATOM 0 HB3 TRP A 71 -3.310 -0.072 -7.689 1.00 0.63 H new ATOM 0 HD1 TRP A 71 -1.282 2.599 -8.131 1.00 0.70 H new ATOM 0 HE1 TRP A 71 0.367 3.288 -6.279 1.00 0.71 H new ATOM 0 HE3 TRP A 71 -2.909 -0.465 -4.387 1.00 0.69 H new ATOM 0 HZ2 TRP A 71 1.211 2.213 -3.720 1.00 0.89 H new ATOM 0 HZ3 TRP A 71 -1.527 -0.798 -2.363 1.00 0.83 H new ATOM 0 HH2 TRP A 71 0.695 0.305 -2.197 1.00 1.03 H new ATOM 1009 N VAL A 72 -6.356 1.734 -7.932 1.00 0.49 N ATOM 1010 CA VAL A 72 -7.736 1.413 -8.261 1.00 0.49 C ATOM 1011 C VAL A 72 -8.261 2.323 -9.387 1.00 0.55 C ATOM 1012 O VAL A 72 -9.349 2.085 -9.905 1.00 0.62 O ATOM 1013 CB VAL A 72 -8.577 1.402 -6.967 1.00 0.47 C ATOM 1014 CG1 VAL A 72 -10.072 1.129 -7.190 1.00 0.48 C ATOM 1015 CG2 VAL A 72 -8.081 0.289 -6.028 1.00 0.52 C ATOM 0 H VAL A 72 -6.238 2.133 -7.001 1.00 0.49 H new ATOM 0 HA VAL A 72 -7.815 0.409 -8.677 1.00 0.49 H new ATOM 0 HB VAL A 72 -8.459 2.402 -6.550 1.00 0.47 H new ATOM 0 HG11 VAL A 72 -10.591 1.138 -6.231 1.00 0.48 H new ATOM 0 HG12 VAL A 72 -10.490 1.901 -7.836 1.00 0.48 H new ATOM 0 HG13 VAL A 72 -10.198 0.154 -7.661 1.00 0.48 H new ATOM 0 HG21 VAL A 72 -8.680 0.288 -5.117 1.00 0.52 H new ATOM 0 HG22 VAL A 72 -8.176 -0.676 -6.526 1.00 0.52 H new ATOM 0 HG23 VAL A 72 -7.036 0.466 -5.775 1.00 0.52 H new ATOM 1025 N SER A 73 -7.504 3.319 -9.862 1.00 0.66 N ATOM 1026 CA SER A 73 -7.788 3.916 -11.168 1.00 0.82 C ATOM 1027 C SER A 73 -7.920 2.858 -12.267 1.00 0.70 C ATOM 1028 O SER A 73 -8.653 3.065 -13.229 1.00 0.85 O ATOM 1029 CB SER A 73 -6.702 4.907 -11.570 1.00 1.27 C ATOM 1030 OG SER A 73 -6.561 5.898 -10.565 1.00 1.68 O ATOM 0 H SER A 73 -6.705 3.721 -9.371 1.00 0.66 H new ATOM 0 HA SER A 73 -8.740 4.437 -11.064 1.00 0.82 H new ATOM 0 HB2 SER A 73 -5.756 4.385 -11.715 1.00 1.27 H new ATOM 0 HB3 SER A 73 -6.957 5.374 -12.521 1.00 1.27 H new ATOM 0 HG SER A 73 -5.899 5.603 -9.906 1.00 1.68 H new ATOM 1036 N GLU A 74 -7.246 1.720 -12.114 1.00 0.67 N ATOM 1037 CA GLU A 74 -7.320 0.570 -12.999 1.00 0.82 C ATOM 1038 C GLU A 74 -8.706 -0.123 -12.986 1.00 0.79 C ATOM 1039 O GLU A 74 -8.897 -1.144 -13.641 1.00 0.93 O ATOM 1040 CB GLU A 74 -6.171 -0.367 -12.591 1.00 1.02 C ATOM 1041 CG GLU A 74 -4.781 0.299 -12.757 1.00 1.53 C ATOM 1042 CD GLU A 74 -3.639 -0.409 -12.041 1.00 2.91 C ATOM 1043 OE1 GLU A 74 -3.817 -1.563 -11.611 1.00 4.19 O ATOM 1044 OE2 GLU A 74 -2.551 0.203 -11.939 1.00 3.61 O ATOM 0 H GLU A 74 -6.606 1.573 -11.333 1.00 0.67 H new ATOM 0 HA GLU A 74 -7.207 0.882 -14.037 1.00 0.82 H new ATOM 0 HB2 GLU A 74 -6.304 -0.671 -11.553 1.00 1.02 H new ATOM 0 HB3 GLU A 74 -6.212 -1.273 -13.196 1.00 1.02 H new ATOM 0 HG2 GLU A 74 -4.545 0.353 -13.820 1.00 1.53 H new ATOM 0 HG3 GLU A 74 -4.840 1.324 -12.391 1.00 1.53 H new ATOM 1051 N ARG A 75 -9.689 0.427 -12.266 1.00 0.79 N ATOM 1052 CA ARG A 75 -11.039 -0.106 -12.134 1.00 0.87 C ATOM 1053 C ARG A 75 -11.880 -0.274 -13.414 1.00 0.91 C ATOM 1054 O ARG A 75 -12.638 -1.244 -13.475 1.00 1.12 O ATOM 1055 CB ARG A 75 -11.795 0.715 -11.085 1.00 1.11 C ATOM 1056 CG ARG A 75 -13.253 0.278 -10.904 1.00 0.99 C ATOM 1057 CD ARG A 75 -13.888 1.116 -9.794 1.00 1.18 C ATOM 1058 NE ARG A 75 -15.319 0.825 -9.635 1.00 1.78 N ATOM 1059 CZ ARG A 75 -16.284 1.234 -10.471 1.00 2.71 C ATOM 1060 NH1 ARG A 75 -15.973 1.928 -11.567 1.00 3.55 N ATOM 1061 NH2 ARG A 75 -17.558 0.964 -10.197 1.00 3.96 N ATOM 0 H ARG A 75 -9.555 1.291 -11.740 1.00 0.79 H new ATOM 0 HA ARG A 75 -10.891 -1.141 -11.825 1.00 0.87 H new ATOM 0 HB2 ARG A 75 -11.278 0.634 -10.129 1.00 1.11 H new ATOM 0 HB3 ARG A 75 -11.772 1.766 -11.371 1.00 1.11 H new ATOM 0 HG2 ARG A 75 -13.804 0.408 -11.836 1.00 0.99 H new ATOM 0 HG3 ARG A 75 -13.300 -0.781 -10.650 1.00 0.99 H new ATOM 0 HD2 ARG A 75 -13.372 0.923 -8.854 1.00 1.18 H new ATOM 0 HD3 ARG A 75 -13.756 2.174 -10.018 1.00 1.18 H new ATOM 0 HE ARG A 75 -15.600 0.269 -8.827 1.00 1.78 H new ATOM 0 HH11 ARG A 75 -14.998 2.149 -11.771 1.00 3.55 H new ATOM 0 HH12 ARG A 75 -16.710 2.238 -12.201 1.00 3.55 H new ATOM 0 HH21 ARG A 75 -17.799 0.446 -9.352 1.00 3.96 H new ATOM 0 HH22 ARG A 75 -18.293 1.275 -10.832 1.00 3.96 H new ATOM 1075 N PRO A 76 -11.893 0.648 -14.389 1.00 1.00 N ATOM 1076 CA PRO A 76 -12.942 0.646 -15.398 1.00 1.41 C ATOM 1077 C PRO A 76 -12.853 -0.574 -16.319 1.00 1.72 C ATOM 1078 O PRO A 76 -13.876 -1.017 -16.833 1.00 2.52 O ATOM 1079 CB PRO A 76 -12.820 1.978 -16.139 1.00 1.56 C ATOM 1080 CG PRO A 76 -11.350 2.336 -15.957 1.00 1.19 C ATOM 1081 CD PRO A 76 -11.029 1.798 -14.564 1.00 1.16 C ATOM 0 HA PRO A 76 -13.930 0.559 -14.946 1.00 1.41 H new ATOM 0 HB2 PRO A 76 -13.085 1.880 -17.192 1.00 1.56 H new ATOM 0 HB3 PRO A 76 -13.476 2.738 -15.715 1.00 1.56 H new ATOM 0 HG2 PRO A 76 -10.725 1.873 -16.721 1.00 1.19 H new ATOM 0 HG3 PRO A 76 -11.187 3.412 -16.021 1.00 1.19 H new ATOM 0 HD2 PRO A 76 -9.979 1.517 -14.483 1.00 1.16 H new ATOM 0 HD3 PRO A 76 -11.217 2.551 -13.799 1.00 1.16 H new ATOM 1089 N SER A 77 -11.656 -1.129 -16.517 1.00 1.50 N ATOM 1090 CA SER A 77 -11.419 -2.376 -17.233 1.00 2.01 C ATOM 1091 C SER A 77 -11.565 -3.612 -16.332 1.00 2.02 C ATOM 1092 O SER A 77 -11.360 -4.738 -16.779 1.00 2.13 O ATOM 1093 CB SER A 77 -10.003 -2.308 -17.825 1.00 2.31 C ATOM 1094 OG SER A 77 -9.227 -1.254 -17.259 1.00 2.25 O ATOM 0 H SER A 77 -10.796 -0.704 -16.169 1.00 1.50 H new ATOM 0 HA SER A 77 -12.170 -2.484 -18.016 1.00 2.01 H new ATOM 0 HB2 SER A 77 -9.496 -3.259 -17.658 1.00 2.31 H new ATOM 0 HB3 SER A 77 -10.070 -2.167 -18.904 1.00 2.31 H new ATOM 0 HG SER A 77 -8.335 -1.251 -17.664 1.00 2.25 H new ATOM 1100 N TYR A 78 -11.833 -3.436 -15.047 1.00 1.90 N ATOM 1101 CA TYR A 78 -11.631 -4.475 -14.053 1.00 1.55 C ATOM 1102 C TYR A 78 -12.833 -5.417 -14.011 1.00 1.53 C ATOM 1103 O TYR A 78 -13.681 -5.354 -13.119 1.00 2.37 O ATOM 1104 CB TYR A 78 -11.327 -3.815 -12.708 1.00 1.76 C ATOM 1105 CG TYR A 78 -10.430 -4.640 -11.833 1.00 0.99 C ATOM 1106 CD1 TYR A 78 -9.044 -4.556 -12.037 1.00 2.90 C ATOM 1107 CD2 TYR A 78 -10.954 -5.467 -10.827 1.00 1.79 C ATOM 1108 CE1 TYR A 78 -8.175 -5.331 -11.262 1.00 4.72 C ATOM 1109 CE2 TYR A 78 -10.074 -6.172 -9.992 1.00 3.29 C ATOM 1110 CZ TYR A 78 -8.693 -6.095 -10.213 1.00 4.74 C ATOM 1111 OH TYR A 78 -7.840 -6.745 -9.394 1.00 6.71 O ATOM 0 H TYR A 78 -12.198 -2.564 -14.664 1.00 1.90 H new ATOM 0 HA TYR A 78 -10.776 -5.099 -14.315 1.00 1.55 H new ATOM 0 HB2 TYR A 78 -10.861 -2.846 -12.884 1.00 1.76 H new ATOM 0 HB3 TYR A 78 -12.264 -3.628 -12.183 1.00 1.76 H new ATOM 0 HD1 TYR A 78 -8.648 -3.893 -12.792 1.00 2.90 H new ATOM 0 HD2 TYR A 78 -12.022 -5.560 -10.697 1.00 1.79 H new ATOM 0 HE1 TYR A 78 -7.116 -5.339 -11.472 1.00 4.72 H new ATOM 0 HE2 TYR A 78 -10.460 -6.772 -9.181 1.00 3.29 H new ATOM 0 HH TYR A 78 -7.801 -7.691 -9.646 1.00 6.71 H new ATOM 1121 N ASN A 79 -12.905 -6.301 -15.001 1.00 1.17 N ATOM 1122 CA ASN A 79 -14.037 -7.179 -15.214 1.00 1.24 C ATOM 1123 C ASN A 79 -13.908 -8.426 -14.343 1.00 1.11 C ATOM 1124 O ASN A 79 -12.876 -9.103 -14.351 1.00 1.70 O ATOM 1125 CB ASN A 79 -14.119 -7.542 -16.697 1.00 1.56 C ATOM 1126 CG ASN A 79 -14.762 -8.908 -16.891 1.00 2.61 C ATOM 1127 OD1 ASN A 79 -15.959 -9.094 -16.713 1.00 2.37 O ATOM 1128 ND2 ASN A 79 -13.964 -9.905 -17.225 1.00 4.48 N ATOM 0 H ASN A 79 -12.161 -6.425 -15.688 1.00 1.17 H new ATOM 0 HA ASN A 79 -14.958 -6.671 -14.928 1.00 1.24 H new ATOM 0 HB2 ASN A 79 -14.697 -6.786 -17.228 1.00 1.56 H new ATOM 0 HB3 ASN A 79 -13.119 -7.542 -17.131 1.00 1.56 H new ATOM 0 HD21 ASN A 79 -14.343 -10.845 -17.338 1.00 4.48 H new ATOM 0 HD22 ASN A 79 -12.969 -9.735 -17.370 1.00 4.48 H new ATOM 1135 N TYR A 80 -14.974 -8.732 -13.610 1.00 1.20 N ATOM 1136 CA TYR A 80 -15.146 -9.952 -12.844 1.00 1.38 C ATOM 1137 C TYR A 80 -16.149 -10.888 -13.524 1.00 2.04 C ATOM 1138 O TYR A 80 -16.071 -12.102 -13.340 1.00 3.25 O ATOM 1139 CB TYR A 80 -15.576 -9.598 -11.420 1.00 1.51 C ATOM 1140 CG TYR A 80 -15.381 -10.720 -10.425 1.00 1.57 C ATOM 1141 CD1 TYR A 80 -16.408 -11.649 -10.178 1.00 2.02 C ATOM 1142 CD2 TYR A 80 -14.177 -10.803 -9.705 1.00 2.61 C ATOM 1143 CE1 TYR A 80 -16.262 -12.592 -9.146 1.00 2.15 C ATOM 1144 CE2 TYR A 80 -14.060 -11.703 -8.633 1.00 2.83 C ATOM 1145 CZ TYR A 80 -15.131 -12.551 -8.320 1.00 2.08 C ATOM 1146 OH TYR A 80 -15.133 -13.226 -7.138 1.00 2.62 O ATOM 0 H TYR A 80 -15.775 -8.105 -13.533 1.00 1.20 H new ATOM 0 HA TYR A 80 -14.197 -10.487 -12.797 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -15.012 -8.727 -11.086 1.00 1.51 H new ATOM 0 HB3 TYR A 80 -16.628 -9.312 -11.429 1.00 1.51 H new ATOM 0 HD1 TYR A 80 -17.305 -11.638 -10.779 1.00 2.02 H new ATOM 0 HD2 TYR A 80 -13.341 -10.175 -9.976 1.00 2.61 H new ATOM 0 HE1 TYR A 80 -17.019 -13.346 -8.990 1.00 2.15 H new ATOM 0 HE2 TYR A 80 -13.150 -11.741 -8.053 1.00 2.83 H new ATOM 0 HH TYR A 80 -14.893 -12.614 -6.411 1.00 2.62 H new ATOM 1156 N ALA A 81 -17.061 -10.360 -14.348 1.00 2.33 N ATOM 1157 CA ALA A 81 -18.087 -11.163 -14.994 1.00 2.85 C ATOM 1158 C ALA A 81 -17.428 -12.305 -15.763 1.00 2.94 C ATOM 1159 O ALA A 81 -17.768 -13.466 -15.546 1.00 3.24 O ATOM 1160 CB ALA A 81 -18.968 -10.293 -15.895 1.00 3.24 C ATOM 0 H ALA A 81 -17.103 -9.368 -14.580 1.00 2.33 H new ATOM 0 HA ALA A 81 -18.742 -11.597 -14.239 1.00 2.85 H new ATOM 0 HB1 ALA A 81 -19.729 -10.913 -16.369 1.00 3.24 H new ATOM 0 HB2 ALA A 81 -19.451 -9.521 -15.296 1.00 3.24 H new ATOM 0 HB3 ALA A 81 -18.352 -9.824 -16.663 1.00 3.24 H new ATOM 1166 N THR A 82 -16.428 -11.987 -16.584 1.00 2.85 N ATOM 1167 CA THR A 82 -15.594 -12.975 -17.263 1.00 3.04 C ATOM 1168 C THR A 82 -14.208 -13.093 -16.594 1.00 2.69 C ATOM 1169 O THR A 82 -13.219 -13.421 -17.239 1.00 2.82 O ATOM 1170 CB THR A 82 -15.597 -12.664 -18.773 1.00 3.48 C ATOM 1171 OG1 THR A 82 -15.353 -11.297 -19.042 1.00 3.73 O ATOM 1172 CG2 THR A 82 -16.995 -12.947 -19.329 1.00 3.94 C ATOM 0 H THR A 82 -16.172 -11.023 -16.798 1.00 2.85 H new ATOM 0 HA THR A 82 -16.002 -13.981 -17.161 1.00 3.04 H new ATOM 0 HB THR A 82 -14.816 -13.277 -19.223 1.00 3.48 H new ATOM 0 HG1 THR A 82 -15.363 -11.147 -20.010 1.00 3.73 H new ATOM 0 HG21 THR A 82 -17.012 -12.731 -20.397 1.00 3.94 H new ATOM 0 HG22 THR A 82 -17.246 -13.995 -19.166 1.00 3.94 H new ATOM 0 HG23 THR A 82 -17.724 -12.316 -18.820 1.00 3.94 H new ATOM 1180 N ASN A 83 -14.147 -12.833 -15.284 1.00 2.46 N ATOM 1181 CA ASN A 83 -13.034 -13.062 -14.359 1.00 2.26 C ATOM 1182 C ASN A 83 -11.641 -12.630 -14.851 1.00 2.16 C ATOM 1183 O ASN A 83 -10.650 -13.259 -14.485 1.00 2.31 O ATOM 1184 CB ASN A 83 -13.037 -14.528 -13.883 1.00 2.42 C ATOM 1185 CG ASN A 83 -12.312 -14.739 -12.547 1.00 2.45 C ATOM 1186 OD1 ASN A 83 -12.913 -14.649 -11.484 1.00 4.13 O ATOM 1187 ND2 ASN A 83 -11.019 -15.037 -12.573 1.00 1.68 N ATOM 0 H ASN A 83 -14.946 -12.421 -14.802 1.00 2.46 H new ATOM 0 HA ASN A 83 -13.221 -12.391 -13.521 1.00 2.26 H new ATOM 0 HB2 ASN A 83 -14.068 -14.868 -13.786 1.00 2.42 H new ATOM 0 HB3 ASN A 83 -12.567 -15.150 -14.645 1.00 2.42 H new ATOM 0 HD21 ASN A 83 -10.514 -15.194 -11.701 1.00 1.68 H new ATOM 0 HD22 ASN A 83 -10.530 -15.109 -13.465 1.00 1.68 H new ATOM 1194 N GLN A 84 -11.498 -11.587 -15.671 1.00 2.02 N ATOM 1195 CA GLN A 84 -10.173 -11.093 -16.043 1.00 1.98 C ATOM 1196 C GLN A 84 -10.267 -9.639 -16.471 1.00 1.91 C ATOM 1197 O GLN A 84 -11.314 -9.215 -16.951 1.00 2.46 O ATOM 1198 CB GLN A 84 -9.507 -11.990 -17.094 1.00 2.08 C ATOM 1199 CG GLN A 84 -10.306 -12.136 -18.393 1.00 2.47 C ATOM 1200 CD GLN A 84 -10.102 -13.538 -18.954 1.00 3.66 C ATOM 1201 OE1 GLN A 84 -9.152 -13.792 -19.691 1.00 3.96 O ATOM 1202 NE2 GLN A 84 -10.946 -14.476 -18.553 1.00 5.05 N ATOM 0 H GLN A 84 -12.275 -11.073 -16.086 1.00 2.02 H new ATOM 0 HA GLN A 84 -9.520 -11.136 -15.171 1.00 1.98 H new ATOM 0 HB2 GLN A 84 -8.523 -11.585 -17.330 1.00 2.08 H new ATOM 0 HB3 GLN A 84 -9.350 -12.979 -16.664 1.00 2.08 H new ATOM 0 HG2 GLN A 84 -11.365 -11.958 -18.204 1.00 2.47 H new ATOM 0 HG3 GLN A 84 -9.982 -11.390 -19.119 1.00 2.47 H new ATOM 0 HE21 GLN A 84 -11.725 -14.233 -17.941 1.00 5.05 H new ATOM 0 HE22 GLN A 84 -10.817 -15.441 -18.856 1.00 5.05 H new ATOM 1211 N CYS A 85 -9.202 -8.861 -16.322 1.00 1.77 N ATOM 1212 CA CYS A 85 -9.246 -7.464 -16.713 1.00 1.73 C ATOM 1213 C CYS A 85 -9.405 -7.380 -18.219 1.00 1.58 C ATOM 1214 O CYS A 85 -8.741 -8.100 -18.964 1.00 1.96 O ATOM 1215 CB CYS A 85 -7.993 -6.715 -16.268 1.00 1.91 C ATOM 1216 SG CYS A 85 -7.954 -6.394 -14.503 1.00 2.71 S ATOM 0 H CYS A 85 -8.309 -9.171 -15.938 1.00 1.77 H new ATOM 0 HA CYS A 85 -10.096 -6.990 -16.221 1.00 1.73 H new ATOM 0 HB2 CYS A 85 -7.113 -7.295 -16.545 1.00 1.91 H new ATOM 0 HB3 CYS A 85 -7.933 -5.768 -16.805 1.00 1.91 H new ATOM 1221 N VAL A 86 -10.257 -6.466 -18.662 1.00 1.52 N ATOM 1222 CA VAL A 86 -10.519 -6.195 -20.060 1.00 1.35 C ATOM 1223 C VAL A 86 -9.188 -5.690 -20.619 1.00 1.45 C ATOM 1224 O VAL A 86 -8.360 -5.149 -19.876 1.00 1.85 O ATOM 1225 CB VAL A 86 -11.592 -5.084 -20.124 1.00 1.47 C ATOM 1226 CG1 VAL A 86 -11.628 -4.266 -21.418 1.00 1.40 C ATOM 1227 CG2 VAL A 86 -12.992 -5.587 -19.771 1.00 1.78 C ATOM 0 H VAL A 86 -10.801 -5.875 -18.033 1.00 1.52 H new ATOM 0 HA VAL A 86 -10.877 -7.059 -20.620 1.00 1.35 H new ATOM 0 HB VAL A 86 -11.261 -4.391 -19.351 1.00 1.47 H new ATOM 0 HG11 VAL A 86 -12.417 -3.517 -21.353 1.00 1.40 H new ATOM 0 HG12 VAL A 86 -10.668 -3.770 -21.562 1.00 1.40 H new ATOM 0 HG13 VAL A 86 -11.825 -4.928 -22.261 1.00 1.40 H new ATOM 0 HG21 VAL A 86 -13.702 -4.762 -19.834 1.00 1.78 H new ATOM 0 HG22 VAL A 86 -13.284 -6.371 -20.470 1.00 1.78 H new ATOM 0 HG23 VAL A 86 -12.990 -5.988 -18.757 1.00 1.78 H new ATOM 1295 N CYS A 91 -3.974 -3.601 -15.602 1.00 1.98 N ATOM 1296 CA CYS A 91 -4.621 -3.331 -14.323 1.00 1.60 C ATOM 1297 C CYS A 91 -3.758 -3.907 -13.198 1.00 1.67 C ATOM 1298 O CYS A 91 -4.227 -4.533 -12.244 1.00 2.69 O ATOM 1299 CB CYS A 91 -6.018 -3.965 -14.325 1.00 1.90 C ATOM 1300 SG CYS A 91 -6.000 -5.771 -14.177 1.00 2.82 S ATOM 0 HA CYS A 91 -4.728 -2.258 -14.165 1.00 1.60 H new ATOM 0 HB2 CYS A 91 -6.598 -3.548 -13.502 1.00 1.90 H new ATOM 0 HB3 CYS A 91 -6.531 -3.690 -15.247 1.00 1.90 H new ATOM 1305 N ARG A 92 -2.444 -3.740 -13.356 1.00 1.04 N ATOM 1306 CA ARG A 92 -1.477 -4.561 -12.661 1.00 1.05 C ATOM 1307 C ARG A 92 -1.532 -4.336 -11.159 1.00 1.46 C ATOM 1308 O ARG A 92 -1.357 -5.260 -10.369 1.00 2.78 O ATOM 1309 CB ARG A 92 -0.068 -4.305 -13.234 1.00 1.09 C ATOM 1310 CG ARG A 92 0.959 -5.412 -12.927 1.00 1.44 C ATOM 1311 CD ARG A 92 0.333 -6.780 -13.222 1.00 1.36 C ATOM 1312 NE ARG A 92 1.295 -7.821 -13.628 1.00 1.87 N ATOM 1313 CZ ARG A 92 1.081 -8.730 -14.598 1.00 2.97 C ATOM 1314 NH1 ARG A 92 -0.113 -8.837 -15.184 1.00 4.13 N ATOM 1315 NH2 ARG A 92 2.085 -9.511 -14.977 1.00 3.35 N ATOM 0 H ARG A 92 -2.032 -3.035 -13.967 1.00 1.04 H new ATOM 0 HA ARG A 92 -1.725 -5.610 -12.823 1.00 1.05 H new ATOM 0 HB2 ARG A 92 -0.145 -4.189 -14.315 1.00 1.09 H new ATOM 0 HB3 ARG A 92 0.305 -3.361 -12.838 1.00 1.09 H new ATOM 0 HG2 ARG A 92 1.855 -5.271 -13.532 1.00 1.44 H new ATOM 0 HG3 ARG A 92 1.268 -5.358 -11.883 1.00 1.44 H new ATOM 0 HD2 ARG A 92 -0.198 -7.121 -12.333 1.00 1.36 H new ATOM 0 HD3 ARG A 92 -0.410 -6.662 -14.011 1.00 1.36 H new ATOM 0 HE ARG A 92 2.189 -7.855 -13.138 1.00 1.87 H new ATOM 0 HH11 ARG A 92 -0.878 -8.226 -14.898 1.00 4.13 H new ATOM 0 HH12 ARG A 92 -0.261 -9.530 -15.918 1.00 4.13 H new ATOM 0 HH21 ARG A 92 2.999 -9.417 -14.535 1.00 3.35 H new ATOM 0 HH22 ARG A 92 1.942 -10.206 -15.710 1.00 3.35 H new ATOM 1329 N HIS A 93 -1.720 -3.097 -10.739 1.00 0.66 N ATOM 1330 CA HIS A 93 -1.677 -2.789 -9.332 1.00 0.74 C ATOM 1331 C HIS A 93 -2.953 -3.293 -8.680 1.00 0.65 C ATOM 1332 O HIS A 93 -2.898 -3.951 -7.644 1.00 0.67 O ATOM 1333 CB HIS A 93 -1.518 -1.289 -9.165 1.00 0.88 C ATOM 1334 CG HIS A 93 -0.337 -0.712 -9.894 1.00 0.82 C ATOM 1335 ND1 HIS A 93 -0.335 0.511 -10.530 1.00 1.14 N ATOM 1336 CD2 HIS A 93 0.915 -1.257 -9.988 1.00 1.02 C ATOM 1337 CE1 HIS A 93 0.939 0.781 -10.861 1.00 1.40 C ATOM 1338 NE2 HIS A 93 1.707 -0.284 -10.564 1.00 1.34 N ATOM 0 H HIS A 93 -1.902 -2.300 -11.349 1.00 0.66 H new ATOM 0 HA HIS A 93 -0.831 -3.278 -8.849 1.00 0.74 H new ATOM 0 HB2 HIS A 93 -2.425 -0.797 -9.517 1.00 0.88 H new ATOM 0 HB3 HIS A 93 -1.423 -1.060 -8.103 1.00 0.88 H new ATOM 0 HD1 HIS A 93 -1.147 1.100 -10.714 1.00 1.14 H new ATOM 0 HD2 HIS A 93 1.220 -2.245 -9.676 1.00 1.02 H new ATOM 0 HE1 HIS A 93 1.291 1.705 -11.296 1.00 1.40 H new ATOM 1347 N TYR A 94 -4.100 -3.009 -9.287 1.00 0.60 N ATOM 1348 CA TYR A 94 -5.374 -3.435 -8.749 1.00 0.50 C ATOM 1349 C TYR A 94 -5.395 -4.970 -8.632 1.00 0.46 C ATOM 1350 O TYR A 94 -5.824 -5.484 -7.598 1.00 0.50 O ATOM 1351 CB TYR A 94 -6.518 -2.786 -9.543 1.00 0.57 C ATOM 1352 CG TYR A 94 -7.938 -2.899 -9.001 1.00 1.01 C ATOM 1353 CD1 TYR A 94 -8.243 -3.616 -7.829 1.00 2.09 C ATOM 1354 CD2 TYR A 94 -8.985 -2.272 -9.702 1.00 2.12 C ATOM 1355 CE1 TYR A 94 -9.572 -3.938 -7.528 1.00 2.17 C ATOM 1356 CE2 TYR A 94 -10.319 -2.471 -9.302 1.00 2.64 C ATOM 1357 CZ TYR A 94 -10.612 -3.371 -8.271 1.00 2.01 C ATOM 1358 OH TYR A 94 -11.895 -3.726 -8.011 1.00 2.44 O ATOM 0 H TYR A 94 -4.167 -2.482 -10.158 1.00 0.60 H new ATOM 0 HA TYR A 94 -5.527 -3.083 -7.729 1.00 0.50 H new ATOM 0 HB2 TYR A 94 -6.288 -1.726 -9.649 1.00 0.57 H new ATOM 0 HB3 TYR A 94 -6.511 -3.215 -10.545 1.00 0.57 H new ATOM 0 HD1 TYR A 94 -7.450 -3.918 -7.161 1.00 2.09 H new ATOM 0 HD2 TYR A 94 -8.764 -1.638 -10.548 1.00 2.12 H new ATOM 0 HE1 TYR A 94 -9.793 -4.623 -6.723 1.00 2.17 H new ATOM 0 HE2 TYR A 94 -11.116 -1.930 -9.790 1.00 2.64 H new ATOM 0 HH TYR A 94 -12.504 -3.082 -8.430 1.00 2.44 H new ATOM 1368 N THR A 95 -4.843 -5.722 -9.594 1.00 0.48 N ATOM 1369 CA THR A 95 -4.693 -7.161 -9.386 1.00 0.52 C ATOM 1370 C THR A 95 -4.003 -7.477 -8.059 1.00 0.52 C ATOM 1371 O THR A 95 -4.477 -8.343 -7.330 1.00 0.57 O ATOM 1372 CB THR A 95 -4.071 -7.884 -10.591 1.00 0.85 C ATOM 1373 OG1 THR A 95 -3.094 -7.117 -11.260 1.00 1.14 O ATOM 1374 CG2 THR A 95 -5.179 -8.217 -11.596 1.00 1.23 C ATOM 0 H THR A 95 -4.505 -5.371 -10.490 1.00 0.48 H new ATOM 0 HA THR A 95 -5.700 -7.572 -9.308 1.00 0.52 H new ATOM 0 HB THR A 95 -3.583 -8.778 -10.203 1.00 0.85 H new ATOM 0 HG1 THR A 95 -2.619 -6.556 -10.612 1.00 1.14 H new ATOM 0 HG21 THR A 95 -4.748 -8.731 -12.456 1.00 1.23 H new ATOM 0 HG22 THR A 95 -5.919 -8.862 -11.122 1.00 1.23 H new ATOM 0 HG23 THR A 95 -5.659 -7.296 -11.927 1.00 1.23 H new ATOM 1382 N GLN A 96 -2.929 -6.770 -7.706 1.00 0.54 N ATOM 1383 CA GLN A 96 -2.259 -6.994 -6.444 1.00 0.60 C ATOM 1384 C GLN A 96 -3.162 -6.599 -5.274 1.00 0.58 C ATOM 1385 O GLN A 96 -3.235 -7.328 -4.285 1.00 0.66 O ATOM 1386 CB GLN A 96 -0.954 -6.205 -6.401 1.00 0.69 C ATOM 1387 CG GLN A 96 0.284 -7.107 -6.351 1.00 1.69 C ATOM 1388 CD GLN A 96 0.582 -7.783 -5.017 1.00 1.08 C ATOM 1389 OE1 GLN A 96 1.746 -8.025 -4.718 1.00 2.06 O ATOM 1390 NE2 GLN A 96 -0.415 -8.194 -4.243 1.00 0.76 N ATOM 0 H GLN A 96 -2.512 -6.039 -8.283 1.00 0.54 H new ATOM 0 HA GLN A 96 -2.033 -8.056 -6.353 1.00 0.60 H new ATOM 0 HB2 GLN A 96 -0.894 -5.562 -7.279 1.00 0.69 H new ATOM 0 HB3 GLN A 96 -0.958 -5.552 -5.528 1.00 0.69 H new ATOM 0 HG2 GLN A 96 0.171 -7.883 -7.108 1.00 1.69 H new ATOM 0 HG3 GLN A 96 1.152 -6.511 -6.632 1.00 1.69 H new ATOM 0 HE21 GLN A 96 -1.380 -7.987 -4.501 1.00 0.76 H new ATOM 0 HE22 GLN A 96 -0.216 -8.717 -3.390 1.00 0.76 H new ATOM 1399 N VAL A 97 -3.817 -5.441 -5.366 1.00 0.51 N ATOM 1400 CA VAL A 97 -4.663 -4.916 -4.303 1.00 0.48 C ATOM 1401 C VAL A 97 -5.686 -5.975 -3.938 1.00 0.49 C ATOM 1402 O VAL A 97 -5.897 -6.259 -2.765 1.00 0.61 O ATOM 1403 CB VAL A 97 -5.344 -3.611 -4.744 1.00 0.47 C ATOM 1404 CG1 VAL A 97 -6.466 -3.151 -3.804 1.00 0.51 C ATOM 1405 CG2 VAL A 97 -4.307 -2.494 -4.822 1.00 0.53 C ATOM 0 H VAL A 97 -3.772 -4.839 -6.188 1.00 0.51 H new ATOM 0 HA VAL A 97 -4.058 -4.680 -3.428 1.00 0.48 H new ATOM 0 HB VAL A 97 -5.792 -3.820 -5.715 1.00 0.47 H new ATOM 0 HG11 VAL A 97 -6.899 -2.224 -4.180 1.00 0.51 H new ATOM 0 HG12 VAL A 97 -7.238 -3.919 -3.756 1.00 0.51 H new ATOM 0 HG13 VAL A 97 -6.059 -2.983 -2.807 1.00 0.51 H new ATOM 0 HG21 VAL A 97 -4.791 -1.569 -5.135 1.00 0.53 H new ATOM 0 HG22 VAL A 97 -3.851 -2.352 -3.842 1.00 0.53 H new ATOM 0 HG23 VAL A 97 -3.537 -2.763 -5.545 1.00 0.53 H new ATOM 1415 N VAL A 98 -6.306 -6.568 -4.950 1.00 0.42 N ATOM 1416 CA VAL A 98 -7.375 -7.532 -4.803 1.00 0.43 C ATOM 1417 C VAL A 98 -6.881 -8.963 -4.566 1.00 0.49 C ATOM 1418 O VAL A 98 -7.684 -9.854 -4.315 1.00 0.69 O ATOM 1419 CB VAL A 98 -8.300 -7.369 -6.027 1.00 0.43 C ATOM 1420 CG1 VAL A 98 -8.315 -8.569 -6.981 1.00 0.51 C ATOM 1421 CG2 VAL A 98 -9.725 -7.079 -5.579 1.00 0.44 C ATOM 0 H VAL A 98 -6.067 -6.382 -5.924 1.00 0.42 H new ATOM 0 HA VAL A 98 -7.942 -7.333 -3.894 1.00 0.43 H new ATOM 0 HB VAL A 98 -7.884 -6.531 -6.586 1.00 0.43 H new ATOM 0 HG11 VAL A 98 -8.992 -8.366 -7.811 1.00 0.51 H new ATOM 0 HG12 VAL A 98 -7.310 -8.740 -7.366 1.00 0.51 H new ATOM 0 HG13 VAL A 98 -8.654 -9.456 -6.445 1.00 0.51 H new ATOM 0 HG21 VAL A 98 -10.366 -6.967 -6.454 1.00 0.44 H new ATOM 0 HG22 VAL A 98 -10.089 -7.904 -4.966 1.00 0.44 H new ATOM 0 HG23 VAL A 98 -9.743 -6.158 -4.996 1.00 0.44 H new ATOM 1431 N TRP A 99 -5.571 -9.185 -4.595 1.00 0.54 N ATOM 1432 CA TRP A 99 -4.984 -10.496 -4.836 1.00 0.48 C ATOM 1433 C TRP A 99 -5.402 -11.475 -3.749 1.00 0.49 C ATOM 1434 O TRP A 99 -4.988 -11.305 -2.602 1.00 0.50 O ATOM 1435 CB TRP A 99 -3.458 -10.380 -4.955 1.00 0.49 C ATOM 1436 CG TRP A 99 -2.719 -11.534 -5.559 1.00 0.54 C ATOM 1437 CD1 TRP A 99 -2.242 -12.594 -4.876 1.00 0.73 C ATOM 1438 CD2 TRP A 99 -2.266 -11.718 -6.937 1.00 0.53 C ATOM 1439 NE1 TRP A 99 -1.534 -13.412 -5.726 1.00 0.74 N ATOM 1440 CE2 TRP A 99 -1.514 -12.925 -7.011 1.00 0.64 C ATOM 1441 CE3 TRP A 99 -2.368 -10.968 -8.128 1.00 0.62 C ATOM 1442 CZ2 TRP A 99 -0.894 -13.354 -8.194 1.00 0.75 C ATOM 1443 CZ3 TRP A 99 -1.838 -11.441 -9.343 1.00 0.81 C ATOM 1444 CH2 TRP A 99 -1.083 -12.624 -9.373 1.00 0.86 C ATOM 0 H TRP A 99 -4.879 -8.449 -4.450 1.00 0.54 H new ATOM 0 HA TRP A 99 -5.357 -10.888 -5.782 1.00 0.48 H new ATOM 0 HB2 TRP A 99 -3.234 -9.492 -5.546 1.00 0.49 H new ATOM 0 HB3 TRP A 99 -3.055 -10.209 -3.957 1.00 0.49 H new ATOM 0 HD1 TRP A 99 -2.393 -12.774 -3.822 1.00 0.73 H new ATOM 0 HE1 TRP A 99 -1.078 -14.277 -5.437 1.00 0.74 H new ATOM 0 HE3 TRP A 99 -2.864 -10.009 -8.107 1.00 0.62 H new ATOM 0 HZ2 TRP A 99 -0.276 -14.240 -8.195 1.00 0.75 H new ATOM 0 HZ3 TRP A 99 -2.013 -10.891 -10.256 1.00 0.81 H new ATOM 0 HH2 TRP A 99 -0.650 -12.969 -10.301 1.00 0.86 H new ATOM 1455 N ARG A 100 -6.222 -12.467 -4.102 1.00 0.58 N ATOM 1456 CA ARG A 100 -6.737 -13.474 -3.188 1.00 0.68 C ATOM 1457 C ARG A 100 -5.614 -13.957 -2.275 1.00 0.60 C ATOM 1458 O ARG A 100 -5.717 -13.896 -1.053 1.00 0.67 O ATOM 1459 CB ARG A 100 -7.365 -14.638 -3.985 1.00 0.95 C ATOM 1460 CG ARG A 100 -7.699 -15.831 -3.068 1.00 1.41 C ATOM 1461 CD ARG A 100 -8.133 -17.094 -3.818 1.00 2.05 C ATOM 1462 NE ARG A 100 -9.399 -16.910 -4.538 1.00 2.48 N ATOM 1463 CZ ARG A 100 -9.556 -16.648 -5.842 1.00 3.95 C ATOM 1464 NH1 ARG A 100 -8.542 -16.633 -6.710 1.00 5.10 N ATOM 1465 NH2 ARG A 100 -10.777 -16.363 -6.272 1.00 5.04 N ATOM 0 H ARG A 100 -6.552 -12.590 -5.059 1.00 0.58 H new ATOM 0 HA ARG A 100 -7.519 -13.042 -2.563 1.00 0.68 H new ATOM 0 HB2 ARG A 100 -8.272 -14.293 -4.481 1.00 0.95 H new ATOM 0 HB3 ARG A 100 -6.676 -14.959 -4.766 1.00 0.95 H new ATOM 0 HG2 ARG A 100 -6.825 -16.065 -2.461 1.00 1.41 H new ATOM 0 HG3 ARG A 100 -8.494 -15.537 -2.383 1.00 1.41 H new ATOM 0 HD2 ARG A 100 -7.354 -17.379 -4.525 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -8.237 -17.916 -3.110 1.00 2.05 H new ATOM 0 HE ARG A 100 -10.252 -16.990 -3.985 1.00 2.48 H new ATOM 0 HH11 ARG A 100 -7.593 -16.827 -6.389 1.00 5.10 H new ATOM 0 HH12 ARG A 100 -8.716 -16.427 -7.694 1.00 5.10 H new ATOM 0 HH21 ARG A 100 -11.558 -16.349 -5.616 1.00 5.04 H new ATOM 0 HH22 ARG A 100 -10.935 -16.158 -7.259 1.00 5.04 H new ATOM 1479 N ASN A 101 -4.547 -14.477 -2.878 1.00 0.60 N ATOM 1480 CA ASN A 101 -3.557 -15.238 -2.129 1.00 0.61 C ATOM 1481 C ASN A 101 -2.952 -14.431 -0.982 1.00 0.69 C ATOM 1482 O ASN A 101 -2.606 -15.002 0.053 1.00 1.36 O ATOM 1483 CB ASN A 101 -2.443 -15.739 -3.050 1.00 0.80 C ATOM 1484 CG ASN A 101 -1.938 -17.113 -2.625 1.00 1.38 C ATOM 1485 OD1 ASN A 101 -1.804 -17.998 -3.462 1.00 1.93 O ATOM 1486 ND2 ASN A 101 -1.678 -17.341 -1.344 1.00 2.27 N ATOM 0 H ASN A 101 -4.349 -14.385 -3.874 1.00 0.60 H new ATOM 0 HA ASN A 101 -4.081 -16.091 -1.698 1.00 0.61 H new ATOM 0 HB2 ASN A 101 -2.812 -15.787 -4.075 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -1.616 -15.029 -3.042 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -1.362 -18.263 -1.044 1.00 2.27 H new ATOM 0 HD22 ASN A 101 -1.794 -16.594 -0.659 1.00 2.27 H new ATOM 1493 N SER A 102 -2.820 -13.118 -1.179 1.00 0.59 N ATOM 1494 CA SER A 102 -2.136 -12.213 -0.280 1.00 0.56 C ATOM 1495 C SER A 102 -3.101 -11.807 0.826 1.00 0.60 C ATOM 1496 O SER A 102 -3.992 -10.986 0.595 1.00 0.95 O ATOM 1497 CB SER A 102 -1.687 -10.973 -1.059 1.00 0.67 C ATOM 1498 OG SER A 102 -0.945 -11.334 -2.210 1.00 1.85 O ATOM 0 H SER A 102 -3.203 -12.648 -2.000 1.00 0.59 H new ATOM 0 HA SER A 102 -1.262 -12.698 0.154 1.00 0.56 H new ATOM 0 HB2 SER A 102 -2.559 -10.389 -1.353 1.00 0.67 H new ATOM 0 HB3 SER A 102 -1.079 -10.336 -0.416 1.00 0.67 H new ATOM 0 HG SER A 102 -0.081 -11.708 -1.938 1.00 1.85 H new ATOM 1504 N VAL A 103 -2.936 -12.375 2.016 1.00 0.53 N ATOM 1505 CA VAL A 103 -3.744 -12.038 3.183 1.00 0.53 C ATOM 1506 C VAL A 103 -2.982 -11.130 4.157 1.00 0.52 C ATOM 1507 O VAL A 103 -3.567 -10.607 5.105 1.00 0.64 O ATOM 1508 CB VAL A 103 -4.319 -13.313 3.822 1.00 0.62 C ATOM 1509 CG1 VAL A 103 -5.238 -14.015 2.815 1.00 0.72 C ATOM 1510 CG2 VAL A 103 -3.244 -14.294 4.296 1.00 0.71 C ATOM 0 H VAL A 103 -2.231 -13.089 2.199 1.00 0.53 H new ATOM 0 HA VAL A 103 -4.601 -11.445 2.866 1.00 0.53 H new ATOM 0 HB VAL A 103 -4.873 -13.000 4.707 1.00 0.62 H new ATOM 0 HG11 VAL A 103 -5.647 -14.919 3.265 1.00 0.72 H new ATOM 0 HG12 VAL A 103 -6.053 -13.346 2.539 1.00 0.72 H new ATOM 0 HG13 VAL A 103 -4.668 -14.279 1.924 1.00 0.72 H new ATOM 0 HG21 VAL A 103 -3.720 -15.170 4.736 1.00 0.71 H new ATOM 0 HG22 VAL A 103 -2.632 -14.601 3.448 1.00 0.71 H new ATOM 0 HG23 VAL A 103 -2.614 -13.810 5.042 1.00 0.71 H new ATOM 1520 N ARG A 104 -1.691 -10.910 3.915 1.00 0.61 N ATOM 1521 CA ARG A 104 -0.888 -9.930 4.626 1.00 0.58 C ATOM 1522 C ARG A 104 -0.779 -8.690 3.741 1.00 0.52 C ATOM 1523 O ARG A 104 -0.682 -8.823 2.517 1.00 0.59 O ATOM 1524 CB ARG A 104 0.520 -10.480 4.854 1.00 0.64 C ATOM 1525 CG ARG A 104 0.664 -11.615 5.871 1.00 0.99 C ATOM 1526 CD ARG A 104 0.192 -13.012 5.456 1.00 2.01 C ATOM 1527 NE ARG A 104 1.292 -13.786 4.874 1.00 2.73 N ATOM 1528 CZ ARG A 104 1.254 -15.096 4.613 1.00 4.07 C ATOM 1529 NH1 ARG A 104 0.129 -15.775 4.811 1.00 4.98 N ATOM 1530 NH2 ARG A 104 2.345 -15.691 4.143 1.00 5.03 N ATOM 0 H ARG A 104 -1.168 -11.421 3.204 1.00 0.61 H new ATOM 0 HA ARG A 104 -1.347 -9.698 5.587 1.00 0.58 H new ATOM 0 HB2 ARG A 104 0.906 -10.831 3.897 1.00 0.64 H new ATOM 0 HB3 ARG A 104 1.159 -9.656 5.173 1.00 0.64 H new ATOM 0 HG2 ARG A 104 1.716 -11.686 6.147 1.00 0.99 H new ATOM 0 HG3 ARG A 104 0.117 -11.330 6.770 1.00 0.99 H new ATOM 0 HD2 ARG A 104 -0.208 -13.537 6.323 1.00 2.01 H new ATOM 0 HD3 ARG A 104 -0.619 -12.926 4.733 1.00 2.01 H new ATOM 0 HE ARG A 104 2.153 -13.286 4.651 1.00 2.73 H new ATOM 0 HH11 ARG A 104 -0.701 -15.296 5.161 1.00 4.98 H new ATOM 0 HH12 ARG A 104 0.095 -16.775 4.613 1.00 4.98 H new ATOM 0 HH21 ARG A 104 3.195 -15.149 3.987 1.00 5.03 H new ATOM 0 HH22 ARG A 104 2.333 -16.690 3.939 1.00 5.03 H new ATOM 1544 N LEU A 105 -0.763 -7.506 4.348 1.00 0.50 N ATOM 1545 CA LEU A 105 -0.465 -6.242 3.690 1.00 0.46 C ATOM 1546 C LEU A 105 0.170 -5.332 4.730 1.00 0.45 C ATOM 1547 O LEU A 105 -0.042 -5.524 5.922 1.00 0.79 O ATOM 1548 CB LEU A 105 -1.764 -5.669 3.128 1.00 0.63 C ATOM 1549 CG LEU A 105 -1.697 -4.363 2.325 1.00 0.69 C ATOM 1550 CD1 LEU A 105 -1.797 -3.086 3.160 1.00 1.83 C ATOM 1551 CD2 LEU A 105 -0.650 -4.334 1.214 1.00 2.50 C ATOM 0 H LEU A 105 -0.964 -7.399 5.342 1.00 0.50 H new ATOM 0 HA LEU A 105 0.228 -6.356 2.856 1.00 0.46 H new ATOM 0 HB2 LEU A 105 -2.213 -6.429 2.489 1.00 0.63 H new ATOM 0 HB3 LEU A 105 -2.446 -5.511 3.963 1.00 0.63 H new ATOM 0 HG LEU A 105 -2.635 -4.368 1.769 1.00 0.69 H new ATOM 0 HD11 LEU A 105 -1.740 -2.217 2.504 1.00 1.83 H new ATOM 0 HD12 LEU A 105 -2.746 -3.075 3.695 1.00 1.83 H new ATOM 0 HD13 LEU A 105 -0.976 -3.054 3.876 1.00 1.83 H new ATOM 0 HD21 LEU A 105 -0.683 -3.369 0.708 1.00 2.50 H new ATOM 0 HD22 LEU A 105 0.340 -4.484 1.643 1.00 2.50 H new ATOM 0 HD23 LEU A 105 -0.859 -5.128 0.497 1.00 2.50 H new ATOM 1563 N GLY A 106 0.952 -4.355 4.301 1.00 0.53 N ATOM 1564 CA GLY A 106 1.718 -3.520 5.220 1.00 0.47 C ATOM 1565 C GLY A 106 2.528 -2.470 4.468 1.00 0.40 C ATOM 1566 O GLY A 106 3.234 -2.805 3.514 1.00 0.47 O ATOM 0 H GLY A 106 1.075 -4.117 3.317 1.00 0.53 H new ATOM 0 HA2 GLY A 106 1.041 -3.029 5.919 1.00 0.47 H new ATOM 0 HA3 GLY A 106 2.388 -4.145 5.811 1.00 0.47 H new ATOM 1570 N CYS A 107 2.380 -1.196 4.856 1.00 0.46 N ATOM 1571 CA CYS A 107 2.808 -0.063 4.040 1.00 0.47 C ATOM 1572 C CYS A 107 3.896 0.784 4.672 1.00 0.53 C ATOM 1573 O CYS A 107 4.110 0.732 5.882 1.00 0.75 O ATOM 1574 CB CYS A 107 1.622 0.832 3.705 1.00 0.69 C ATOM 1575 SG CYS A 107 0.199 -0.012 3.018 1.00 1.25 S ATOM 0 H CYS A 107 1.960 -0.927 5.746 1.00 0.46 H new ATOM 0 HA CYS A 107 3.231 -0.505 3.138 1.00 0.47 H new ATOM 0 HB2 CYS A 107 1.313 1.353 4.611 1.00 0.69 H new ATOM 0 HB3 CYS A 107 1.950 1.593 2.997 1.00 0.69 H new ATOM 1580 N GLY A 108 4.555 1.581 3.833 1.00 0.49 N ATOM 1581 CA GLY A 108 5.586 2.541 4.175 1.00 0.65 C ATOM 1582 C GLY A 108 5.222 3.900 3.593 1.00 0.63 C ATOM 1583 O GLY A 108 4.278 3.997 2.810 1.00 1.27 O ATOM 0 H GLY A 108 4.365 1.567 2.831 1.00 0.49 H new ATOM 0 HA2 GLY A 108 5.688 2.612 5.258 1.00 0.65 H new ATOM 0 HA3 GLY A 108 6.549 2.212 3.785 1.00 0.65 H new ATOM 1587 N ARG A 109 5.941 4.952 3.984 1.00 0.65 N ATOM 1588 CA ARG A 109 5.628 6.321 3.609 1.00 0.53 C ATOM 1589 C ARG A 109 6.797 7.210 4.034 1.00 0.67 C ATOM 1590 O ARG A 109 6.938 7.481 5.226 1.00 1.07 O ATOM 1591 CB ARG A 109 4.299 6.736 4.270 1.00 0.70 C ATOM 1592 CG ARG A 109 3.829 8.131 3.847 1.00 0.76 C ATOM 1593 CD ARG A 109 2.328 8.280 4.144 1.00 1.39 C ATOM 1594 NE ARG A 109 1.907 9.686 4.061 1.00 1.33 N ATOM 1595 CZ ARG A 109 0.682 10.156 4.331 1.00 2.47 C ATOM 1596 NH1 ARG A 109 -0.290 9.323 4.711 1.00 3.88 N ATOM 1597 NH2 ARG A 109 0.444 11.456 4.225 1.00 2.93 N ATOM 0 H ARG A 109 6.767 4.871 4.577 1.00 0.65 H new ATOM 0 HA ARG A 109 5.497 6.423 2.532 1.00 0.53 H new ATOM 0 HB2 ARG A 109 3.530 6.007 4.015 1.00 0.70 H new ATOM 0 HB3 ARG A 109 4.415 6.711 5.353 1.00 0.70 H new ATOM 0 HG2 ARG A 109 4.394 8.894 4.382 1.00 0.76 H new ATOM 0 HG3 ARG A 109 4.017 8.283 2.784 1.00 0.76 H new ATOM 0 HD2 ARG A 109 1.753 7.683 3.436 1.00 1.39 H new ATOM 0 HD3 ARG A 109 2.111 7.891 5.139 1.00 1.39 H new ATOM 0 HE ARG A 109 2.611 10.365 3.772 1.00 1.33 H new ATOM 0 HH11 ARG A 109 -0.101 8.324 4.797 1.00 3.88 H new ATOM 0 HH12 ARG A 109 -1.221 9.685 4.916 1.00 3.88 H new ATOM 0 HH21 ARG A 109 1.191 12.090 3.940 1.00 2.93 H new ATOM 0 HH22 ARG A 109 -0.486 11.823 4.429 1.00 2.93 H new ATOM 1611 N ALA A 110 7.641 7.655 3.101 1.00 0.61 N ATOM 1612 CA ALA A 110 8.793 8.516 3.380 1.00 0.74 C ATOM 1613 C ALA A 110 8.982 9.495 2.218 1.00 0.54 C ATOM 1614 O ALA A 110 8.519 9.223 1.112 1.00 0.56 O ATOM 1615 CB ALA A 110 10.039 7.668 3.637 1.00 1.11 C ATOM 0 H ALA A 110 7.542 7.423 2.113 1.00 0.61 H new ATOM 0 HA ALA A 110 8.617 9.098 4.284 1.00 0.74 H new ATOM 0 HB1 ALA A 110 10.887 8.321 3.843 1.00 1.11 H new ATOM 0 HB2 ALA A 110 9.866 7.017 4.494 1.00 1.11 H new ATOM 0 HB3 ALA A 110 10.254 7.061 2.758 1.00 1.11 H new ATOM 1621 N ARG A 111 9.581 10.661 2.457 1.00 0.61 N ATOM 1622 CA ARG A 111 9.607 11.754 1.491 1.00 0.61 C ATOM 1623 C ARG A 111 10.893 11.733 0.664 1.00 0.71 C ATOM 1624 O ARG A 111 11.987 11.655 1.218 1.00 0.90 O ATOM 1625 CB ARG A 111 9.389 13.077 2.234 1.00 0.74 C ATOM 1626 CG ARG A 111 9.447 14.299 1.310 1.00 1.05 C ATOM 1627 CD ARG A 111 8.905 15.554 2.012 1.00 1.23 C ATOM 1628 NE ARG A 111 9.290 16.793 1.312 1.00 2.04 N ATOM 1629 CZ ARG A 111 10.532 17.306 1.296 1.00 2.76 C ATOM 1630 NH1 ARG A 111 11.501 16.730 2.004 1.00 3.68 N ATOM 1631 NH2 ARG A 111 10.809 18.375 0.552 1.00 3.77 N ATOM 0 H ARG A 111 10.063 10.873 3.330 1.00 0.61 H new ATOM 0 HA ARG A 111 8.798 11.635 0.771 1.00 0.61 H new ATOM 0 HB2 ARG A 111 8.421 13.052 2.733 1.00 0.74 H new ATOM 0 HB3 ARG A 111 10.146 13.180 3.011 1.00 0.74 H new ATOM 0 HG2 ARG A 111 10.476 14.471 0.995 1.00 1.05 H new ATOM 0 HG3 ARG A 111 8.866 14.104 0.408 1.00 1.05 H new ATOM 0 HD2 ARG A 111 7.818 15.495 2.071 1.00 1.23 H new ATOM 0 HD3 ARG A 111 9.279 15.586 3.036 1.00 1.23 H new ATOM 0 HE ARG A 111 8.563 17.296 0.804 1.00 2.04 H new ATOM 0 HH11 ARG A 111 11.301 15.898 2.560 1.00 3.68 H new ATOM 0 HH12 ARG A 111 12.443 17.120 1.991 1.00 3.68 H new ATOM 0 HH21 ARG A 111 10.077 18.809 -0.010 1.00 3.77 H new ATOM 0 HH22 ARG A 111 11.754 18.760 0.544 1.00 3.77 H new ATOM 1645 N CYS A 112 10.773 11.815 -0.664 1.00 0.90 N ATOM 1646 CA CYS A 112 11.927 11.982 -1.541 1.00 1.05 C ATOM 1647 C CYS A 112 12.521 13.375 -1.394 1.00 1.15 C ATOM 1648 O CYS A 112 11.783 14.324 -1.137 1.00 1.34 O ATOM 1649 CB CYS A 112 11.580 11.760 -3.015 1.00 1.63 C ATOM 1650 SG CYS A 112 10.604 10.324 -3.468 1.00 2.21 S ATOM 0 H CYS A 112 9.880 11.768 -1.155 1.00 0.90 H new ATOM 0 HA CYS A 112 12.650 11.226 -1.235 1.00 1.05 H new ATOM 0 HB2 CYS A 112 11.048 12.644 -3.365 1.00 1.63 H new ATOM 0 HB3 CYS A 112 12.517 11.711 -3.570 1.00 1.63 H new ATOM 1690 N TRP A 116 8.273 14.629 -3.489 1.00 2.03 N ATOM 1691 CA TRP A 116 7.128 13.741 -3.534 1.00 1.27 C ATOM 1692 C TRP A 116 7.203 12.732 -2.382 1.00 0.87 C ATOM 1693 O TRP A 116 8.265 12.158 -2.127 1.00 1.08 O ATOM 1694 CB TRP A 116 7.128 12.997 -4.865 1.00 1.18 C ATOM 1695 CG TRP A 116 7.159 13.787 -6.133 1.00 1.53 C ATOM 1696 CD1 TRP A 116 6.829 15.088 -6.305 1.00 2.16 C ATOM 1697 CD2 TRP A 116 7.575 13.300 -7.440 1.00 1.59 C ATOM 1698 NE1 TRP A 116 7.020 15.435 -7.626 1.00 2.42 N ATOM 1699 CE2 TRP A 116 7.503 14.377 -8.367 1.00 2.04 C ATOM 1700 CE3 TRP A 116 8.014 12.050 -7.929 1.00 1.74 C ATOM 1701 CZ2 TRP A 116 7.874 14.224 -9.710 1.00 2.27 C ATOM 1702 CZ3 TRP A 116 8.345 11.875 -9.284 1.00 2.16 C ATOM 1703 CH2 TRP A 116 8.310 12.968 -10.166 1.00 2.27 C ATOM 0 HA TRP A 116 6.212 14.324 -3.435 1.00 1.27 H new ATOM 0 HB2 TRP A 116 7.991 12.331 -4.870 1.00 1.18 H new ATOM 0 HB3 TRP A 116 6.239 12.367 -4.891 1.00 1.18 H new ATOM 0 HD1 TRP A 116 6.472 15.750 -5.530 1.00 2.16 H new ATOM 0 HE1 TRP A 116 6.828 16.361 -8.008 1.00 2.42 H new ATOM 0 HE3 TRP A 116 8.097 11.214 -7.250 1.00 1.74 H new ATOM 0 HZ2 TRP A 116 7.825 15.063 -10.388 1.00 2.27 H new ATOM 0 HZ3 TRP A 116 8.627 10.898 -9.648 1.00 2.16 H new ATOM 0 HH2 TRP A 116 8.618 12.843 -11.194 1.00 2.27 H new ATOM 1714 N TRP A 117 6.072 12.417 -1.754 1.00 0.76 N ATOM 1715 CA TRP A 117 6.022 11.409 -0.707 1.00 0.68 C ATOM 1716 C TRP A 117 5.903 10.024 -1.346 1.00 0.75 C ATOM 1717 O TRP A 117 4.924 9.724 -2.019 1.00 1.17 O ATOM 1718 CB TRP A 117 4.848 11.690 0.238 1.00 0.91 C ATOM 1719 CG TRP A 117 5.164 12.592 1.395 1.00 1.05 C ATOM 1720 CD1 TRP A 117 5.044 13.940 1.412 1.00 1.35 C ATOM 1721 CD2 TRP A 117 5.697 12.227 2.706 1.00 1.05 C ATOM 1722 NE1 TRP A 117 5.405 14.419 2.651 1.00 1.50 N ATOM 1723 CE2 TRP A 117 5.819 13.411 3.489 1.00 1.34 C ATOM 1724 CE3 TRP A 117 6.113 11.022 3.310 1.00 0.95 C ATOM 1725 CZ2 TRP A 117 6.307 13.399 4.802 1.00 1.49 C ATOM 1726 CZ3 TRP A 117 6.559 10.992 4.646 1.00 1.13 C ATOM 1727 CH2 TRP A 117 6.667 12.177 5.390 1.00 1.38 C ATOM 0 H TRP A 117 5.172 12.852 -1.958 1.00 0.76 H new ATOM 0 HA TRP A 117 6.938 11.442 -0.117 1.00 0.68 H new ATOM 0 HB2 TRP A 117 4.036 12.134 -0.338 1.00 0.91 H new ATOM 0 HB3 TRP A 117 4.480 10.741 0.627 1.00 0.91 H new ATOM 0 HD1 TRP A 117 4.715 14.547 0.581 1.00 1.35 H new ATOM 0 HE1 TRP A 117 5.370 15.403 2.915 1.00 1.50 H new ATOM 0 HE3 TRP A 117 6.089 10.106 2.738 1.00 0.95 H new ATOM 0 HZ2 TRP A 117 6.405 14.321 5.356 1.00 1.49 H new ATOM 0 HZ3 TRP A 117 6.820 10.048 5.102 1.00 1.13 H new ATOM 0 HH2 TRP A 117 7.025 12.149 6.409 1.00 1.38 H new ATOM 1738 N PHE A 118 6.925 9.192 -1.143 1.00 0.53 N ATOM 1739 CA PHE A 118 7.059 7.838 -1.659 1.00 0.50 C ATOM 1740 C PHE A 118 6.317 6.887 -0.740 1.00 0.44 C ATOM 1741 O PHE A 118 6.600 6.860 0.458 1.00 0.68 O ATOM 1742 CB PHE A 118 8.549 7.462 -1.660 1.00 0.58 C ATOM 1743 CG PHE A 118 8.916 6.219 -2.449 1.00 0.68 C ATOM 1744 CD1 PHE A 118 8.831 4.962 -1.820 1.00 1.71 C ATOM 1745 CD2 PHE A 118 9.539 6.325 -3.705 1.00 2.02 C ATOM 1746 CE1 PHE A 118 9.417 3.832 -2.415 1.00 1.77 C ATOM 1747 CE2 PHE A 118 10.172 5.206 -4.275 1.00 2.15 C ATOM 1748 CZ PHE A 118 10.110 3.958 -3.631 1.00 1.11 C ATOM 0 H PHE A 118 7.729 9.467 -0.578 1.00 0.53 H new ATOM 0 HA PHE A 118 6.651 7.776 -2.668 1.00 0.50 H new ATOM 0 HB2 PHE A 118 9.116 8.303 -2.059 1.00 0.58 H new ATOM 0 HB3 PHE A 118 8.870 7.322 -0.628 1.00 0.58 H new ATOM 0 HD1 PHE A 118 8.314 4.866 -0.877 1.00 1.71 H new ATOM 0 HD2 PHE A 118 9.531 7.267 -4.233 1.00 2.02 H new ATOM 0 HE1 PHE A 118 9.335 2.867 -1.938 1.00 1.77 H new ATOM 0 HE2 PHE A 118 10.706 5.306 -5.208 1.00 2.15 H new ATOM 0 HZ PHE A 118 10.594 3.098 -4.070 1.00 1.11 H new ATOM 1758 N ILE A 119 5.385 6.117 -1.298 1.00 0.38 N ATOM 1759 CA ILE A 119 4.695 5.062 -0.588 1.00 0.41 C ATOM 1760 C ILE A 119 5.001 3.745 -1.303 1.00 0.37 C ATOM 1761 O ILE A 119 4.600 3.540 -2.450 1.00 0.50 O ATOM 1762 CB ILE A 119 3.187 5.371 -0.511 1.00 0.50 C ATOM 1763 CG1 ILE A 119 2.836 6.382 0.602 1.00 0.59 C ATOM 1764 CG2 ILE A 119 2.399 4.094 -0.228 1.00 0.61 C ATOM 1765 CD1 ILE A 119 2.969 7.836 0.159 1.00 1.20 C ATOM 0 H ILE A 119 5.090 6.216 -2.269 1.00 0.38 H new ATOM 0 HA ILE A 119 5.037 4.984 0.444 1.00 0.41 H new ATOM 0 HB ILE A 119 2.922 5.802 -1.477 1.00 0.50 H new ATOM 0 HG12 ILE A 119 1.814 6.203 0.937 1.00 0.59 H new ATOM 0 HG13 ILE A 119 3.487 6.209 1.459 1.00 0.59 H new ATOM 0 HG21 ILE A 119 1.335 4.327 -0.176 1.00 0.61 H new ATOM 0 HG22 ILE A 119 2.574 3.374 -1.027 1.00 0.61 H new ATOM 0 HG23 ILE A 119 2.724 3.669 0.722 1.00 0.61 H new ATOM 0 HD11 ILE A 119 2.708 8.494 0.988 1.00 1.20 H new ATOM 0 HD12 ILE A 119 3.996 8.030 -0.149 1.00 1.20 H new ATOM 0 HD13 ILE A 119 2.298 8.024 -0.679 1.00 1.20 H new ATOM 1777 N SER A 120 5.696 2.848 -0.610 1.00 0.65 N ATOM 1778 CA SER A 120 5.727 1.428 -0.899 1.00 0.52 C ATOM 1779 C SER A 120 4.606 0.784 -0.089 1.00 0.47 C ATOM 1780 O SER A 120 4.291 1.255 1.008 1.00 0.53 O ATOM 1781 CB SER A 120 7.087 0.871 -0.453 1.00 0.61 C ATOM 1782 OG SER A 120 7.550 1.615 0.669 1.00 1.75 O ATOM 0 H SER A 120 6.270 3.103 0.193 1.00 0.65 H new ATOM 0 HA SER A 120 5.592 1.225 -1.961 1.00 0.52 H new ATOM 0 HB2 SER A 120 6.994 -0.183 -0.193 1.00 0.61 H new ATOM 0 HB3 SER A 120 7.806 0.936 -1.270 1.00 0.61 H new ATOM 0 HG SER A 120 8.018 1.016 1.288 1.00 1.75 H new ATOM 1788 N CYS A 121 4.021 -0.308 -0.574 1.00 0.51 N ATOM 1789 CA CYS A 121 3.207 -1.148 0.286 1.00 0.56 C ATOM 1790 C CYS A 121 3.216 -2.578 -0.214 1.00 0.63 C ATOM 1791 O CYS A 121 2.922 -2.817 -1.384 1.00 0.97 O ATOM 1792 CB CYS A 121 1.789 -0.612 0.444 1.00 1.02 C ATOM 1793 SG CYS A 121 0.941 -1.495 1.749 1.00 1.51 S ATOM 0 H CYS A 121 4.095 -0.624 -1.541 1.00 0.51 H new ATOM 0 HA CYS A 121 3.650 -1.131 1.282 1.00 0.56 H new ATOM 0 HB2 CYS A 121 1.818 0.453 0.674 1.00 1.02 H new ATOM 0 HB3 CYS A 121 1.244 -0.721 -0.494 1.00 1.02 H new ATOM 1798 N ASN A 122 3.656 -3.496 0.642 1.00 0.53 N ATOM 1799 CA ASN A 122 4.098 -4.827 0.248 1.00 0.58 C ATOM 1800 C ASN A 122 3.043 -5.853 0.646 1.00 0.52 C ATOM 1801 O ASN A 122 2.196 -5.550 1.485 1.00 0.57 O ATOM 1802 CB ASN A 122 5.457 -5.094 0.899 1.00 0.73 C ATOM 1803 CG ASN A 122 6.168 -6.303 0.305 1.00 1.28 C ATOM 1804 OD1 ASN A 122 5.895 -7.441 0.673 1.00 2.71 O ATOM 1805 ND2 ASN A 122 7.151 -6.088 -0.559 1.00 1.38 N ATOM 0 H ASN A 122 3.716 -3.331 1.647 1.00 0.53 H new ATOM 0 HA ASN A 122 4.219 -4.902 -0.833 1.00 0.58 H new ATOM 0 HB2 ASN A 122 6.089 -4.214 0.784 1.00 0.73 H new ATOM 0 HB3 ASN A 122 5.318 -5.249 1.969 1.00 0.73 H new ATOM 0 HD21 ASN A 122 7.689 -6.873 -0.925 1.00 1.38 H new ATOM 0 HD22 ASN A 122 7.369 -5.137 -0.858 1.00 1.38 H new ATOM 1812 N TYR A 123 3.055 -7.036 0.033 1.00 0.50 N ATOM 1813 CA TYR A 123 2.040 -8.073 0.171 1.00 0.51 C ATOM 1814 C TYR A 123 2.735 -9.403 0.467 1.00 0.52 C ATOM 1815 O TYR A 123 3.800 -9.658 -0.096 1.00 0.60 O ATOM 1816 CB TYR A 123 1.259 -8.186 -1.145 1.00 0.55 C ATOM 1817 CG TYR A 123 0.475 -6.949 -1.545 1.00 0.62 C ATOM 1818 CD1 TYR A 123 1.139 -5.875 -2.163 1.00 1.87 C ATOM 1819 CD2 TYR A 123 -0.925 -6.911 -1.406 1.00 2.04 C ATOM 1820 CE1 TYR A 123 0.421 -4.749 -2.589 1.00 1.84 C ATOM 1821 CE2 TYR A 123 -1.646 -5.784 -1.842 1.00 2.15 C ATOM 1822 CZ TYR A 123 -0.967 -4.696 -2.418 1.00 0.84 C ATOM 1823 OH TYR A 123 -1.646 -3.582 -2.811 1.00 0.91 O ATOM 0 H TYR A 123 3.807 -7.307 -0.601 1.00 0.50 H new ATOM 0 HA TYR A 123 1.355 -7.825 0.982 1.00 0.51 H new ATOM 0 HB2 TYR A 123 1.960 -8.425 -1.945 1.00 0.55 H new ATOM 0 HB3 TYR A 123 0.567 -9.024 -1.066 1.00 0.55 H new ATOM 0 HD1 TYR A 123 2.208 -5.918 -2.310 1.00 1.87 H new ATOM 0 HD2 TYR A 123 -1.446 -7.747 -0.964 1.00 2.04 H new ATOM 0 HE1 TYR A 123 0.940 -3.921 -3.050 1.00 1.84 H new ATOM 0 HE2 TYR A 123 -2.720 -5.755 -1.734 1.00 2.15 H new ATOM 0 HH TYR A 123 -2.312 -3.348 -2.131 1.00 0.91 H new ATOM 1833 N ASP A 124 2.131 -10.252 1.310 1.00 0.56 N ATOM 1834 CA ASP A 124 2.640 -11.589 1.621 1.00 0.65 C ATOM 1835 C ASP A 124 1.488 -12.615 1.637 1.00 0.62 C ATOM 1836 O ASP A 124 0.430 -12.326 2.205 1.00 0.61 O ATOM 1837 CB ASP A 124 3.496 -11.581 2.896 1.00 0.87 C ATOM 1838 CG ASP A 124 4.186 -12.898 3.141 1.00 1.14 C ATOM 1839 OD1 ASP A 124 5.059 -13.282 2.340 1.00 2.17 O ATOM 1840 OD2 ASP A 124 3.876 -13.535 4.165 1.00 1.96 O ATOM 0 H ASP A 124 1.265 -10.024 1.799 1.00 0.56 H new ATOM 0 HA ASP A 124 3.317 -11.909 0.829 1.00 0.65 H new ATOM 0 HB2 ASP A 124 4.244 -10.792 2.822 1.00 0.87 H new ATOM 0 HB3 ASP A 124 2.864 -11.342 3.751 1.00 0.87 H new ATOM 1845 N PRO A 125 1.626 -13.792 1.000 1.00 0.67 N ATOM 1846 CA PRO A 125 2.617 -14.081 -0.025 1.00 0.71 C ATOM 1847 C PRO A 125 2.508 -13.082 -1.179 1.00 0.70 C ATOM 1848 O PRO A 125 1.498 -12.393 -1.338 1.00 0.69 O ATOM 1849 CB PRO A 125 2.328 -15.503 -0.507 1.00 0.79 C ATOM 1850 CG PRO A 125 0.840 -15.679 -0.215 1.00 0.76 C ATOM 1851 CD PRO A 125 0.659 -14.877 1.070 1.00 0.69 C ATOM 0 HA PRO A 125 3.630 -13.997 0.368 1.00 0.71 H new ATOM 0 HB2 PRO A 125 2.546 -15.620 -1.569 1.00 0.79 H new ATOM 0 HB3 PRO A 125 2.932 -16.238 0.025 1.00 0.79 H new ATOM 0 HG2 PRO A 125 0.219 -15.294 -1.024 1.00 0.76 H new ATOM 0 HG3 PRO A 125 0.574 -16.727 -0.080 1.00 0.76 H new ATOM 0 HD2 PRO A 125 -0.357 -14.491 1.150 1.00 0.69 H new ATOM 0 HD3 PRO A 125 0.833 -15.500 1.947 1.00 0.69 H new ATOM 1859 N VAL A 126 3.576 -12.993 -1.964 1.00 0.86 N ATOM 1860 CA VAL A 126 3.693 -12.042 -3.052 1.00 0.88 C ATOM 1861 C VAL A 126 2.593 -12.212 -4.105 1.00 0.70 C ATOM 1862 O VAL A 126 2.256 -13.334 -4.481 1.00 0.92 O ATOM 1863 CB VAL A 126 5.105 -12.115 -3.658 1.00 1.19 C ATOM 1864 CG1 VAL A 126 6.172 -11.871 -2.583 1.00 1.52 C ATOM 1865 CG2 VAL A 126 5.388 -13.474 -4.321 1.00 1.35 C ATOM 0 H VAL A 126 4.395 -13.591 -1.857 1.00 0.86 H new ATOM 0 HA VAL A 126 3.546 -11.041 -2.646 1.00 0.88 H new ATOM 0 HB VAL A 126 5.149 -11.337 -4.420 1.00 1.19 H new ATOM 0 HG11 VAL A 126 7.163 -11.927 -3.034 1.00 1.52 H new ATOM 0 HG12 VAL A 126 6.028 -10.883 -2.145 1.00 1.52 H new ATOM 0 HG13 VAL A 126 6.084 -12.629 -1.805 1.00 1.52 H new ATOM 0 HG21 VAL A 126 6.397 -13.475 -4.733 1.00 1.35 H new ATOM 0 HG22 VAL A 126 5.299 -14.267 -3.578 1.00 1.35 H new ATOM 0 HG23 VAL A 126 4.669 -13.645 -5.122 1.00 1.35 H new ATOM 1875 N GLY A 127 2.065 -11.092 -4.609 1.00 0.80 N ATOM 1876 CA GLY A 127 1.116 -11.057 -5.705 1.00 0.76 C ATOM 1877 C GLY A 127 1.707 -10.342 -6.920 1.00 0.69 C ATOM 1878 O GLY A 127 2.831 -9.827 -6.893 1.00 0.87 O ATOM 0 H GLY A 127 2.298 -10.166 -4.251 1.00 0.80 H new ATOM 0 HA2 GLY A 127 0.834 -12.074 -5.979 1.00 0.76 H new ATOM 0 HA3 GLY A 127 0.206 -10.548 -5.387 1.00 0.76 H new ATOM 1882 N ASN A 128 0.934 -10.348 -8.009 1.00 0.73 N ATOM 1883 CA ASN A 128 1.374 -10.127 -9.393 1.00 0.90 C ATOM 1884 C ASN A 128 2.461 -11.127 -9.789 1.00 1.08 C ATOM 1885 O ASN A 128 3.181 -10.916 -10.766 1.00 1.33 O ATOM 1886 CB ASN A 128 1.813 -8.678 -9.666 1.00 0.98 C ATOM 1887 CG ASN A 128 0.656 -7.692 -9.640 1.00 0.96 C ATOM 1888 OD1 ASN A 128 -0.504 -8.070 -9.776 1.00 1.61 O ATOM 1889 ND2 ASN A 128 0.944 -6.412 -9.453 1.00 1.53 N ATOM 0 H ASN A 128 -0.070 -10.516 -7.948 1.00 0.73 H new ATOM 0 HA ASN A 128 0.503 -10.299 -10.025 1.00 0.90 H new ATOM 0 HB2 ASN A 128 2.552 -8.382 -8.922 1.00 0.98 H new ATOM 0 HB3 ASN A 128 2.303 -8.630 -10.639 1.00 0.98 H new ATOM 0 HD21 ASN A 128 0.195 -5.720 -9.420 1.00 1.53 H new ATOM 0 HD22 ASN A 128 1.915 -6.119 -9.342 1.00 1.53 H new ATOM 1896 N TRP A 129 2.572 -12.227 -9.046 1.00 1.05 N ATOM 1897 CA TRP A 129 3.600 -13.237 -9.191 1.00 1.25 C ATOM 1898 C TRP A 129 3.035 -14.373 -10.059 1.00 1.45 C ATOM 1899 O TRP A 129 1.903 -14.272 -10.540 1.00 1.48 O ATOM 1900 CB TRP A 129 4.035 -13.601 -7.761 1.00 1.19 C ATOM 1901 CG TRP A 129 4.242 -15.018 -7.370 1.00 1.36 C ATOM 1902 CD1 TRP A 129 3.357 -15.743 -6.663 1.00 1.57 C ATOM 1903 CD2 TRP A 129 5.445 -15.833 -7.476 1.00 1.46 C ATOM 1904 NE1 TRP A 129 3.932 -16.944 -6.303 1.00 1.77 N ATOM 1905 CE2 TRP A 129 5.225 -17.047 -6.767 1.00 1.69 C ATOM 1906 CE3 TRP A 129 6.706 -15.660 -8.085 1.00 1.48 C ATOM 1907 CZ2 TRP A 129 6.213 -18.031 -6.645 1.00 1.86 C ATOM 1908 CZ3 TRP A 129 7.695 -16.657 -7.997 1.00 1.68 C ATOM 1909 CH2 TRP A 129 7.455 -17.837 -7.271 1.00 1.83 C ATOM 0 H TRP A 129 1.915 -12.441 -8.296 1.00 1.05 H new ATOM 0 HA TRP A 129 4.500 -12.922 -9.718 1.00 1.25 H new ATOM 0 HB2 TRP A 129 4.969 -13.075 -7.566 1.00 1.19 H new ATOM 0 HB3 TRP A 129 3.288 -13.187 -7.083 1.00 1.19 H new ATOM 0 HD1 TRP A 129 2.352 -15.433 -6.416 1.00 1.57 H new ATOM 0 HE1 TRP A 129 3.458 -17.666 -5.760 1.00 1.77 H new ATOM 0 HE3 TRP A 129 6.915 -14.749 -8.626 1.00 1.48 H new ATOM 0 HZ2 TRP A 129 6.022 -18.929 -6.076 1.00 1.86 H new ATOM 0 HZ3 TRP A 129 8.645 -16.515 -8.491 1.00 1.68 H new ATOM 0 HH2 TRP A 129 8.224 -18.592 -7.195 1.00 1.83 H new ATOM 1920 N ILE A 130 3.830 -15.408 -10.320 1.00 1.97 N ATOM 1921 CA ILE A 130 3.433 -16.583 -11.088 1.00 2.21 C ATOM 1922 C ILE A 130 2.738 -17.610 -10.186 1.00 2.17 C ATOM 1923 O ILE A 130 2.780 -17.494 -8.967 1.00 2.21 O ATOM 1924 CB ILE A 130 4.668 -17.130 -11.848 1.00 2.83 C ATOM 1925 CG1 ILE A 130 4.355 -17.269 -13.348 1.00 3.16 C ATOM 1926 CG2 ILE A 130 5.275 -18.400 -11.231 1.00 3.27 C ATOM 1927 CD1 ILE A 130 5.575 -17.673 -14.181 1.00 4.19 C ATOM 0 H ILE A 130 4.795 -15.453 -9.993 1.00 1.97 H new ATOM 0 HA ILE A 130 2.690 -16.321 -11.841 1.00 2.21 H new ATOM 0 HB ILE A 130 5.462 -16.391 -11.739 1.00 2.83 H new ATOM 0 HG12 ILE A 130 3.569 -18.012 -13.482 1.00 3.16 H new ATOM 0 HG13 ILE A 130 3.965 -16.322 -13.721 1.00 3.16 H new ATOM 0 HG21 ILE A 130 6.134 -18.717 -11.822 1.00 3.27 H new ATOM 0 HG22 ILE A 130 5.594 -18.192 -10.210 1.00 3.27 H new ATOM 0 HG23 ILE A 130 4.528 -19.193 -11.223 1.00 3.27 H new ATOM 0 HD11 ILE A 130 5.289 -17.754 -15.230 1.00 4.19 H new ATOM 0 HD12 ILE A 130 6.354 -16.918 -14.075 1.00 4.19 H new ATOM 0 HD13 ILE A 130 5.952 -18.634 -13.832 1.00 4.19 H new ATOM 1939 N GLY A 131 2.111 -18.627 -10.779 1.00 2.40 N ATOM 1940 CA GLY A 131 1.623 -19.795 -10.049 1.00 2.66 C ATOM 1941 C GLY A 131 0.594 -19.464 -8.963 1.00 2.55 C ATOM 1942 O GLY A 131 0.441 -20.214 -8.004 1.00 3.44 O ATOM 0 H GLY A 131 1.927 -18.663 -11.782 1.00 2.40 H new ATOM 0 HA2 GLY A 131 1.177 -20.493 -10.757 1.00 2.66 H new ATOM 0 HA3 GLY A 131 2.470 -20.304 -9.590 1.00 2.66 H new ATOM 1946 N GLN A 132 -0.136 -18.365 -9.129 1.00 1.83 N ATOM 1947 CA GLN A 132 -1.254 -17.947 -8.301 1.00 1.66 C ATOM 1948 C GLN A 132 -2.177 -17.159 -9.235 1.00 1.64 C ATOM 1949 O GLN A 132 -1.817 -16.935 -10.393 1.00 2.47 O ATOM 1950 CB GLN A 132 -0.766 -17.053 -7.153 1.00 1.63 C ATOM 1951 CG GLN A 132 0.120 -17.733 -6.099 1.00 2.07 C ATOM 1952 CD GLN A 132 0.552 -16.714 -5.048 1.00 1.92 C ATOM 1953 OE1 GLN A 132 -0.057 -15.660 -4.919 1.00 2.72 O ATOM 1954 NE2 GLN A 132 1.634 -16.946 -4.320 1.00 2.17 N ATOM 0 H GLN A 132 0.050 -17.709 -9.887 1.00 1.83 H new ATOM 0 HA GLN A 132 -1.763 -18.797 -7.847 1.00 1.66 H new ATOM 0 HB2 GLN A 132 -0.212 -16.217 -7.580 1.00 1.63 H new ATOM 0 HB3 GLN A 132 -1.637 -16.633 -6.650 1.00 1.63 H new ATOM 0 HG2 GLN A 132 -0.425 -18.549 -5.625 1.00 2.07 H new ATOM 0 HG3 GLN A 132 0.997 -18.171 -6.576 1.00 2.07 H new ATOM 0 HE21 GLN A 132 2.142 -17.824 -4.427 1.00 2.17 H new ATOM 0 HE22 GLN A 132 1.959 -16.247 -3.652 1.00 2.17 H new ATOM 1963 N ARG A 133 -3.347 -16.732 -8.761 1.00 1.54 N ATOM 1964 CA ARG A 133 -4.275 -15.900 -9.520 1.00 1.50 C ATOM 1965 C ARG A 133 -4.658 -14.694 -8.662 1.00 1.15 C ATOM 1966 O ARG A 133 -4.640 -14.801 -7.434 1.00 1.07 O ATOM 1967 CB ARG A 133 -5.527 -16.713 -9.878 1.00 1.66 C ATOM 1968 CG ARG A 133 -5.200 -17.880 -10.819 1.00 2.53 C ATOM 1969 CD ARG A 133 -6.427 -18.776 -11.019 1.00 2.74 C ATOM 1970 NE ARG A 133 -7.589 -18.053 -11.566 1.00 2.83 N ATOM 1971 CZ ARG A 133 -7.855 -17.858 -12.865 1.00 3.69 C ATOM 1972 NH1 ARG A 133 -6.951 -18.189 -13.788 1.00 4.36 N ATOM 1973 NH2 ARG A 133 -9.027 -17.334 -13.214 1.00 4.72 N ATOM 0 H ARG A 133 -3.680 -16.959 -7.824 1.00 1.54 H new ATOM 0 HA ARG A 133 -3.806 -15.561 -10.444 1.00 1.50 H new ATOM 0 HB2 ARG A 133 -5.983 -17.098 -8.966 1.00 1.66 H new ATOM 0 HB3 ARG A 133 -6.261 -16.060 -10.350 1.00 1.66 H new ATOM 0 HG2 ARG A 133 -4.865 -17.494 -11.782 1.00 2.53 H new ATOM 0 HG3 ARG A 133 -4.379 -18.466 -10.407 1.00 2.53 H new ATOM 0 HD2 ARG A 133 -6.166 -19.594 -11.691 1.00 2.74 H new ATOM 0 HD3 ARG A 133 -6.702 -19.224 -10.064 1.00 2.74 H new ATOM 0 HE ARG A 133 -8.252 -17.665 -10.894 1.00 2.83 H new ATOM 0 HH11 ARG A 133 -6.057 -18.591 -13.505 1.00 4.36 H new ATOM 0 HH12 ARG A 133 -7.154 -18.041 -14.777 1.00 4.36 H new ATOM 0 HH21 ARG A 133 -9.709 -17.087 -12.497 1.00 4.72 H new ATOM 0 HH22 ARG A 133 -9.244 -17.180 -14.199 1.00 4.72 H new ATOM 1987 N PRO A 134 -5.018 -13.556 -9.275 1.00 1.00 N ATOM 1988 CA PRO A 134 -5.529 -12.417 -8.541 1.00 0.69 C ATOM 1989 C PRO A 134 -6.910 -12.743 -7.974 1.00 0.70 C ATOM 1990 O PRO A 134 -7.160 -12.499 -6.796 1.00 0.77 O ATOM 1991 CB PRO A 134 -5.556 -11.262 -9.543 1.00 0.66 C ATOM 1992 CG PRO A 134 -5.713 -11.947 -10.899 1.00 0.88 C ATOM 1993 CD PRO A 134 -4.992 -13.283 -10.705 1.00 1.15 C ATOM 0 HA PRO A 134 -4.912 -12.152 -7.683 1.00 0.69 H new ATOM 0 HB2 PRO A 134 -6.383 -10.580 -9.343 1.00 0.66 H new ATOM 0 HB3 PRO A 134 -4.640 -10.674 -9.498 1.00 0.66 H new ATOM 0 HG2 PRO A 134 -6.762 -12.090 -11.158 1.00 0.88 H new ATOM 0 HG3 PRO A 134 -5.264 -11.360 -11.700 1.00 0.88 H new ATOM 0 HD2 PRO A 134 -5.489 -14.078 -11.262 1.00 1.15 H new ATOM 0 HD3 PRO A 134 -3.967 -13.229 -11.072 1.00 1.15 H new ATOM 2001 N TYR A 135 -7.806 -13.290 -8.798 1.00 0.94 N ATOM 2002 CA TYR A 135 -9.153 -13.635 -8.397 1.00 1.13 C ATOM 2003 C TYR A 135 -9.688 -14.726 -9.321 1.00 1.31 C ATOM 2004 O TYR A 135 -9.172 -14.849 -10.451 1.00 2.19 O ATOM 2005 CB TYR A 135 -10.061 -12.399 -8.392 1.00 1.02 C ATOM 2006 CG TYR A 135 -10.112 -11.589 -9.675 1.00 0.84 C ATOM 2007 CD1 TYR A 135 -9.227 -10.511 -9.847 1.00 2.04 C ATOM 2008 CD2 TYR A 135 -11.138 -11.794 -10.614 1.00 1.85 C ATOM 2009 CE1 TYR A 135 -9.314 -9.689 -10.983 1.00 2.16 C ATOM 2010 CE2 TYR A 135 -11.254 -10.939 -11.724 1.00 1.77 C ATOM 2011 CZ TYR A 135 -10.321 -9.913 -11.930 1.00 0.99 C ATOM 2012 OH TYR A 135 -10.344 -9.175 -13.078 1.00 1.28 O ATOM 2013 OXT TYR A 135 -10.140 -15.733 -8.747 1.00 1.90 O ATOM 0 H TYR A 135 -7.604 -13.505 -9.774 1.00 0.94 H new ATOM 0 HA TYR A 135 -9.139 -14.018 -7.376 1.00 1.13 H new ATOM 0 HB2 TYR A 135 -11.074 -12.721 -8.152 1.00 1.02 H new ATOM 0 HB3 TYR A 135 -9.736 -11.741 -7.586 1.00 1.02 H new ATOM 0 HD1 TYR A 135 -8.473 -10.313 -9.099 1.00 2.04 H new ATOM 0 HD2 TYR A 135 -11.836 -12.607 -10.483 1.00 1.85 H new ATOM 0 HE1 TYR A 135 -8.606 -8.886 -11.126 1.00 2.16 H new ATOM 0 HE2 TYR A 135 -12.067 -11.073 -12.422 1.00 1.77 H new ATOM 0 HH TYR A 135 -11.245 -9.196 -13.462 1.00 1.28 H new