USER MOD reduce.3.24.130724 H: found=0, std=0, add=1209, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1209 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: B 11 LYS NZ :NH3+ -174:sc= 2.41 (180deg=1.18) USER MOD Set 1.2: B 15 GLN : amide:sc= 0.252 K(o=2.7,f=-9.3!) USER MOD Set 2.1: A 101 SER OG : rot -97:sc= 0.724 USER MOD Set 2.2: A 135 GLN : amide:sc= 1.88 K(o=2.6,f=0.73) USER MOD Set 3.1: A 81 SER OG : rot -72:sc= 1.36 USER MOD Set 3.2: A 146 THR OG1 : rot -86:sc= 0.00286 USER MOD Set 4.1: A 75 LYS NZ :NH3+ -160:sc= 1.65 (180deg=-1.49) USER MOD Set 4.2: B 8 THR OG1 : rot -159:sc= 0.606 USER MOD Set 5.1: A 60 ASN : amide:sc= -0.983 X(o=-1.1,f=-1.1!) USER MOD Set 5.2: A 62 THR OG1 : rot -179:sc= -0.143 USER MOD Set 6.1: A 38 SER OG : rot 103:sc= 0.694 USER MOD Set 6.2: A 111 ASN : amide:sc= 0.523 K(o=1.2,f=-0.47) USER MOD Set 7.1: A 29 THR OG1 : rot -172:sc= 0.889 USER MOD Set 7.2: A 49 GLN : amide:sc= 1.03 K(o=1.9,f=-0.63) USER MOD Set 8.1: A 5 THR OG1 : rot 16:sc= 0.812 USER MOD Set 8.2: A 8 GLN : amide:sc= 1.23 K(o=2,f=0.61) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 0.306 (180deg=0.251) USER MOD Single : A 17 SER OG : rot 95:sc= 1.3 USER MOD Single : A 21 LYS NZ :NH3+ -112:sc= 2.32 (180deg=-0.165) USER MOD Single : A 26 THR OG1 : rot 106:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot -56:sc= 0.836 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 36 MET CE :methyl 177:sc= -0.858 (180deg=-0.991) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 44 THR OG1 : rot -67:sc= 1.29 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.51 USER MOD Single : A 71 MET CE :methyl -157:sc= -0.814 (180deg=-1.64) USER MOD Single : A 72 MET CE :methyl -166:sc= -0.152 (180deg=-0.557) USER MOD Single : A 76 MET CE :methyl -147:sc= -0.177 (180deg=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.0648 (180deg=-0.357) USER MOD Single : A 97 ASN : amide:sc= -1.07! C(o=-1.1!,f=-3.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 1.04 K(o=1,f=-5!) USER MOD Single : A 109 MET CE :methyl -164:sc= -1.25 (180deg=-2.14!) USER MOD Single : A 110 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= 2.32 (180deg=-0.207!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 124 MET CE :methyl -172:sc= -3.12 (180deg=-3.6!) USER MOD Single : A 137 ASN : amide:sc= 0.466 K(o=0.47,f=-4.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.19 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 137:sc= -6.32! (180deg=-6.98!) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 157:sc= 0 (180deg=-0.286) USER MOD Single : B 1 MET N :NH3+ -163:sc= 0.558 (180deg=-0.492) USER MOD Single : B 3 CYS SG : rot -45:sc= -4.32! USER MOD Single : B 5 CYS SG : rot -27:sc= -5.59! USER MOD Single : B 9 THR OG1 : rot 70:sc= 1.26 USER MOD Single : B 10 LYS NZ :NH3+ -148:sc= 0.938 (180deg=-0.112!) USER MOD Single : B 12 TYR OH : rot 180:sc= -0.0697 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 5 0.705 18.905 2.690 1.00 1.17 N ATOM 21 CA THR A 5 1.562 19.223 1.549 1.00 1.07 C ATOM 22 C THR A 5 0.782 19.117 0.240 1.00 0.97 C ATOM 23 O THR A 5 0.233 18.056 -0.072 1.00 0.96 O ATOM 24 CB THR A 5 2.764 18.263 1.505 1.00 1.11 C ATOM 25 OG1 THR A 5 2.856 17.555 2.748 1.00 1.25 O ATOM 26 CG2 THR A 5 4.064 19.013 1.244 1.00 1.21 C ATOM 0 HA THR A 5 1.917 20.247 1.667 1.00 1.07 H new ATOM 0 HB THR A 5 2.610 17.560 0.686 1.00 1.11 H new ATOM 0 HG1 THR A 5 2.014 17.649 3.241 1.00 1.25 H new ATOM 0 HG21 THR A 5 4.893 18.306 1.219 1.00 1.21 H new ATOM 0 HG22 THR A 5 4.000 19.531 0.287 1.00 1.21 H new ATOM 0 HG23 THR A 5 4.231 19.740 2.039 1.00 1.21 H new ATOM 34 N GLU A 6 0.726 20.217 -0.494 1.00 0.93 N ATOM 35 CA GLU A 6 0.004 20.257 -1.775 1.00 0.88 C ATOM 36 C GLU A 6 0.502 19.179 -2.718 1.00 0.84 C ATOM 37 O GLU A 6 -0.264 18.644 -3.514 1.00 0.82 O ATOM 38 CB GLU A 6 0.126 21.627 -2.435 1.00 0.92 C ATOM 39 CG GLU A 6 -0.331 22.772 -1.542 1.00 1.07 C ATOM 40 CD GLU A 6 -0.714 24.002 -2.331 1.00 1.44 C ATOM 41 OE1 GLU A 6 0.187 24.778 -2.706 1.00 1.91 O ATOM 42 OE2 GLU A 6 -1.918 24.208 -2.577 1.00 1.97 O ATOM 0 H GLU A 6 1.169 21.098 -0.233 1.00 0.93 H new ATOM 0 HA GLU A 6 -1.048 20.070 -1.560 1.00 0.88 H new ATOM 0 HB2 GLU A 6 1.164 21.792 -2.722 1.00 0.92 H new ATOM 0 HB3 GLU A 6 -0.463 21.634 -3.352 1.00 0.92 H new ATOM 0 HG2 GLU A 6 -1.184 22.446 -0.946 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.467 23.025 -0.844 1.00 1.07 H new ATOM 49 N GLU A 7 1.796 18.882 -2.637 1.00 0.86 N ATOM 50 CA GLU A 7 2.404 17.856 -3.461 1.00 0.85 C ATOM 51 C GLU A 7 1.653 16.539 -3.300 1.00 0.84 C ATOM 52 O GLU A 7 1.328 15.884 -4.282 1.00 0.82 O ATOM 53 CB GLU A 7 3.882 17.680 -3.100 1.00 0.90 C ATOM 54 CG GLU A 7 4.744 18.883 -3.455 1.00 1.18 C ATOM 55 CD GLU A 7 4.732 19.957 -2.386 1.00 1.58 C ATOM 56 OE1 GLU A 7 3.727 20.688 -2.273 1.00 1.76 O ATOM 57 OE2 GLU A 7 5.730 20.079 -1.656 1.00 1.98 O ATOM 0 H GLU A 7 2.444 19.346 -2.001 1.00 0.86 H new ATOM 0 HA GLU A 7 2.343 18.167 -4.504 1.00 0.85 H new ATOM 0 HB2 GLU A 7 3.966 17.487 -2.031 1.00 0.90 H new ATOM 0 HB3 GLU A 7 4.271 16.801 -3.614 1.00 0.90 H new ATOM 0 HG2 GLU A 7 5.770 18.552 -3.618 1.00 1.18 H new ATOM 0 HG3 GLU A 7 4.393 19.310 -4.395 1.00 1.18 H new ATOM 64 N GLN A 8 1.365 16.162 -2.055 1.00 0.87 N ATOM 65 CA GLN A 8 0.623 14.937 -1.796 1.00 0.89 C ATOM 66 C GLN A 8 -0.764 15.035 -2.418 1.00 0.83 C ATOM 67 O GLN A 8 -1.222 14.099 -3.075 1.00 0.81 O ATOM 68 CB GLN A 8 0.522 14.649 -0.296 1.00 0.99 C ATOM 69 CG GLN A 8 1.645 13.762 0.220 1.00 1.24 C ATOM 70 CD GLN A 8 2.994 14.456 0.218 1.00 1.43 C ATOM 71 OE1 GLN A 8 3.370 15.113 1.190 1.00 1.54 O ATOM 72 NE2 GLN A 8 3.731 14.324 -0.877 1.00 1.62 N ATOM 0 H GLN A 8 1.632 16.683 -1.220 1.00 0.87 H new ATOM 0 HA GLN A 8 1.163 14.107 -2.251 1.00 0.89 H new ATOM 0 HB2 GLN A 8 0.532 15.592 0.250 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -0.435 14.171 -0.088 1.00 0.99 H new ATOM 0 HG2 GLN A 8 1.410 13.439 1.234 1.00 1.24 H new ATOM 0 HG3 GLN A 8 1.703 12.864 -0.395 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.385 13.771 -1.661 1.00 1.62 H new ATOM 0 HE22 GLN A 8 4.644 14.775 -0.935 1.00 1.62 H new ATOM 81 N ILE A 9 -1.430 16.165 -2.192 1.00 0.84 N ATOM 82 CA ILE A 9 -2.747 16.405 -2.775 1.00 0.83 C ATOM 83 C ILE A 9 -2.701 16.191 -4.296 1.00 0.77 C ATOM 84 O ILE A 9 -3.563 15.520 -4.861 1.00 0.78 O ATOM 85 CB ILE A 9 -3.246 17.840 -2.483 1.00 0.87 C ATOM 86 CG1 ILE A 9 -3.177 18.148 -0.981 1.00 0.92 C ATOM 87 CG2 ILE A 9 -4.663 18.029 -3.003 1.00 0.92 C ATOM 88 CD1 ILE A 9 -4.112 17.307 -0.139 1.00 1.13 C ATOM 0 H ILE A 9 -1.080 16.927 -1.611 1.00 0.84 H new ATOM 0 HA ILE A 9 -3.439 15.697 -2.319 1.00 0.83 H new ATOM 0 HB ILE A 9 -2.591 18.539 -3.003 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -2.155 17.994 -0.635 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -3.411 19.201 -0.825 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -4.997 19.044 -2.788 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -4.681 17.861 -4.080 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -5.328 17.317 -2.514 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -4.005 17.583 0.910 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -5.141 17.478 -0.456 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -3.865 16.253 -0.263 1.00 1.13 H new ATOM 100 N ALA A 10 -1.665 16.746 -4.921 1.00 0.74 N ATOM 101 CA ALA A 10 -1.465 16.638 -6.364 1.00 0.71 C ATOM 102 C ALA A 10 -1.217 15.193 -6.776 1.00 0.68 C ATOM 103 O ALA A 10 -1.544 14.789 -7.894 1.00 0.70 O ATOM 104 CB ALA A 10 -0.298 17.512 -6.789 1.00 0.74 C ATOM 0 H ALA A 10 -0.942 17.282 -4.442 1.00 0.74 H new ATOM 0 HA ALA A 10 -2.372 16.980 -6.863 1.00 0.71 H new ATOM 0 HB1 ALA A 10 -0.153 17.427 -7.866 1.00 0.74 H new ATOM 0 HB2 ALA A 10 -0.508 18.550 -6.531 1.00 0.74 H new ATOM 0 HB3 ALA A 10 0.606 17.187 -6.275 1.00 0.74 H new ATOM 110 N GLU A 11 -0.631 14.416 -5.876 1.00 0.68 N ATOM 111 CA GLU A 11 -0.337 13.017 -6.154 1.00 0.69 C ATOM 112 C GLU A 11 -1.616 12.186 -6.097 1.00 0.65 C ATOM 113 O GLU A 11 -1.918 11.432 -7.019 1.00 0.62 O ATOM 114 CB GLU A 11 0.707 12.485 -5.167 1.00 0.75 C ATOM 115 CG GLU A 11 2.063 13.157 -5.314 1.00 0.96 C ATOM 116 CD GLU A 11 3.114 12.558 -4.407 1.00 1.07 C ATOM 117 OE1 GLU A 11 3.148 12.902 -3.201 1.00 1.21 O ATOM 118 OE2 GLU A 11 3.913 11.734 -4.893 1.00 1.57 O ATOM 0 H GLU A 11 -0.350 14.730 -4.947 1.00 0.68 H new ATOM 0 HA GLU A 11 0.076 12.938 -7.160 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.344 12.631 -4.150 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.823 11.411 -5.313 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.394 13.075 -6.349 1.00 0.96 H new ATOM 0 HG3 GLU A 11 1.963 14.220 -5.094 1.00 0.96 H new ATOM 125 N PHE A 12 -2.375 12.343 -5.016 1.00 0.67 N ATOM 126 CA PHE A 12 -3.636 11.618 -4.848 1.00 0.67 C ATOM 127 C PHE A 12 -4.612 11.957 -5.971 1.00 0.66 C ATOM 128 O PHE A 12 -5.544 11.201 -6.247 1.00 0.64 O ATOM 129 CB PHE A 12 -4.243 11.909 -3.474 1.00 0.73 C ATOM 130 CG PHE A 12 -3.509 11.199 -2.372 1.00 1.01 C ATOM 131 CD1 PHE A 12 -3.773 9.869 -2.092 1.00 1.39 C ATOM 132 CD2 PHE A 12 -2.542 11.858 -1.632 1.00 1.29 C ATOM 133 CE1 PHE A 12 -3.084 9.210 -1.096 1.00 1.80 C ATOM 134 CE2 PHE A 12 -1.851 11.206 -0.632 1.00 1.66 C ATOM 135 CZ PHE A 12 -2.122 9.879 -0.364 1.00 1.85 C ATOM 0 H PHE A 12 -2.141 12.965 -4.242 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.430 10.549 -4.904 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -4.223 12.983 -3.289 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.289 11.604 -3.468 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -4.526 9.342 -2.659 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -2.326 12.895 -1.840 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -3.296 8.172 -0.888 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.100 11.732 -0.061 1.00 1.66 H new ATOM 0 HZ PHE A 12 -1.582 9.364 0.417 1.00 1.85 H new ATOM 145 N LYS A 13 -4.403 13.118 -6.585 1.00 0.67 N ATOM 146 CA LYS A 13 -5.203 13.561 -7.732 1.00 0.69 C ATOM 147 C LYS A 13 -5.228 12.468 -8.787 1.00 0.64 C ATOM 148 O LYS A 13 -6.257 12.198 -9.401 1.00 0.64 O ATOM 149 CB LYS A 13 -4.605 14.852 -8.305 1.00 0.75 C ATOM 150 CG LYS A 13 -5.158 15.275 -9.662 1.00 0.91 C ATOM 151 CD LYS A 13 -4.045 15.788 -10.574 1.00 1.14 C ATOM 152 CE LYS A 13 -3.154 14.655 -11.078 1.00 1.25 C ATOM 153 NZ LYS A 13 -1.702 14.982 -10.981 1.00 1.50 N ATOM 0 H LYS A 13 -3.678 13.779 -6.306 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.226 13.761 -7.413 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -4.775 15.660 -7.593 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -3.526 14.726 -8.393 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -5.658 14.429 -10.134 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -5.908 16.054 -9.526 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -4.484 16.310 -11.424 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -3.438 16.514 -10.033 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.359 13.753 -10.502 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -3.405 14.434 -12.116 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -1.152 14.279 -11.515 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -1.532 15.929 -11.377 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -1.408 14.966 -9.983 1.00 1.50 H new ATOM 167 N GLU A 14 -4.077 11.826 -8.972 1.00 0.61 N ATOM 168 CA GLU A 14 -3.949 10.752 -9.943 1.00 0.59 C ATOM 169 C GLU A 14 -4.716 9.526 -9.482 1.00 0.53 C ATOM 170 O GLU A 14 -5.292 8.808 -10.288 1.00 0.53 O ATOM 171 CB GLU A 14 -2.484 10.373 -10.151 1.00 0.63 C ATOM 172 CG GLU A 14 -1.637 11.494 -10.714 1.00 0.98 C ATOM 173 CD GLU A 14 -0.269 11.013 -11.150 1.00 1.04 C ATOM 174 OE1 GLU A 14 0.594 10.787 -10.277 1.00 1.45 O ATOM 175 OE2 GLU A 14 -0.049 10.866 -12.372 1.00 1.64 O ATOM 0 H GLU A 14 -3.220 12.034 -8.459 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.362 11.110 -10.886 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -2.062 10.055 -9.198 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.432 9.517 -10.824 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -2.150 11.943 -11.564 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -1.523 12.274 -9.962 1.00 0.98 H new ATOM 182 N ALA A 15 -4.740 9.308 -8.175 1.00 0.51 N ATOM 183 CA ALA A 15 -5.439 8.165 -7.610 1.00 0.47 C ATOM 184 C ALA A 15 -6.927 8.271 -7.890 1.00 0.45 C ATOM 185 O ALA A 15 -7.550 7.327 -8.370 1.00 0.44 O ATOM 186 CB ALA A 15 -5.164 8.040 -6.121 1.00 0.48 C ATOM 0 H ALA A 15 -4.284 9.907 -7.487 1.00 0.51 H new ATOM 0 HA ALA A 15 -5.066 7.259 -8.087 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.699 7.177 -5.723 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -4.094 7.910 -5.958 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.502 8.943 -5.612 1.00 0.48 H new ATOM 192 N PHE A 16 -7.508 9.429 -7.586 1.00 0.46 N ATOM 193 CA PHE A 16 -8.910 9.665 -7.864 1.00 0.47 C ATOM 194 C PHE A 16 -9.172 9.559 -9.371 1.00 0.48 C ATOM 195 O PHE A 16 -10.261 9.191 -9.789 1.00 0.49 O ATOM 196 CB PHE A 16 -9.334 11.046 -7.355 1.00 0.54 C ATOM 197 CG PHE A 16 -10.621 11.022 -6.582 1.00 0.49 C ATOM 198 CD1 PHE A 16 -11.701 10.282 -7.034 1.00 0.78 C ATOM 199 CD2 PHE A 16 -10.750 11.734 -5.401 1.00 0.91 C ATOM 200 CE1 PHE A 16 -12.880 10.247 -6.322 1.00 1.11 C ATOM 201 CE2 PHE A 16 -11.929 11.706 -4.682 1.00 1.22 C ATOM 202 CZ PHE A 16 -12.996 10.962 -5.144 1.00 1.23 C ATOM 0 H PHE A 16 -7.025 10.213 -7.148 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.498 8.908 -7.345 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.545 11.451 -6.721 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.440 11.722 -8.203 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.618 9.726 -7.956 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -9.918 12.319 -5.038 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -13.713 9.662 -6.683 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -12.016 12.264 -3.762 1.00 1.22 H new ATOM 0 HZ PHE A 16 -13.920 10.938 -4.586 1.00 1.23 H new ATOM 212 N SER A 17 -8.143 9.853 -10.153 1.00 0.52 N ATOM 213 CA SER A 17 -8.246 9.796 -11.614 1.00 0.56 C ATOM 214 C SER A 17 -8.106 8.364 -12.115 1.00 0.49 C ATOM 215 O SER A 17 -8.312 8.089 -13.299 1.00 0.55 O ATOM 216 CB SER A 17 -7.200 10.700 -12.258 1.00 0.64 C ATOM 217 OG SER A 17 -7.353 12.047 -11.827 1.00 0.77 O ATOM 0 H SER A 17 -7.226 10.134 -9.806 1.00 0.52 H new ATOM 0 HA SER A 17 -9.234 10.155 -11.900 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.201 10.345 -12.004 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.290 10.650 -13.343 1.00 0.64 H new ATOM 0 HG SER A 17 -6.756 12.218 -11.069 1.00 0.77 H new ATOM 223 N LEU A 18 -7.735 7.447 -11.225 1.00 0.42 N ATOM 224 CA LEU A 18 -7.596 6.055 -11.608 1.00 0.38 C ATOM 225 C LEU A 18 -8.763 5.249 -11.061 1.00 0.36 C ATOM 226 O LEU A 18 -9.283 4.369 -11.749 1.00 0.38 O ATOM 227 CB LEU A 18 -6.229 5.471 -11.202 1.00 0.42 C ATOM 228 CG LEU A 18 -6.043 5.013 -9.752 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.408 3.540 -9.599 1.00 1.43 C ATOM 230 CD2 LEU A 18 -4.601 5.241 -9.330 1.00 1.02 C ATOM 0 H LEU A 18 -7.529 7.645 -10.246 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.625 5.993 -12.696 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -6.025 4.619 -11.850 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -5.469 6.223 -11.415 1.00 0.42 H new ATOM 0 HG LEU A 18 -6.706 5.595 -9.112 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.268 3.236 -8.561 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -7.450 3.392 -9.883 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.767 2.938 -10.243 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -4.468 4.915 -8.298 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -3.937 4.670 -9.979 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -4.362 6.302 -9.409 1.00 1.02 H new ATOM 242 N PHE A 19 -9.196 5.546 -9.836 1.00 0.35 N ATOM 243 CA PHE A 19 -10.336 4.855 -9.252 1.00 0.35 C ATOM 244 C PHE A 19 -11.610 5.236 -9.994 1.00 0.35 C ATOM 245 O PHE A 19 -12.460 4.387 -10.266 1.00 0.37 O ATOM 246 CB PHE A 19 -10.489 5.214 -7.764 1.00 0.35 C ATOM 247 CG PHE A 19 -9.555 4.482 -6.839 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.451 3.103 -6.881 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.790 5.179 -5.920 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.595 2.429 -6.027 1.00 0.50 C ATOM 251 CE2 PHE A 19 -7.939 4.513 -5.064 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.836 3.132 -5.116 1.00 0.56 C ATOM 0 H PHE A 19 -8.776 6.256 -9.236 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.165 3.782 -9.340 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.330 6.286 -7.645 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.515 5.009 -7.459 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.045 2.545 -7.589 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -8.860 6.256 -5.873 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.522 1.353 -6.074 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.350 5.070 -4.350 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.166 2.611 -4.448 1.00 0.56 H new ATOM 262 N ASP A 20 -11.728 6.521 -10.324 1.00 0.36 N ATOM 263 CA ASP A 20 -12.896 7.025 -11.038 1.00 0.38 C ATOM 264 C ASP A 20 -12.813 6.677 -12.518 1.00 0.44 C ATOM 265 O ASP A 20 -11.737 6.732 -13.123 1.00 0.50 O ATOM 266 CB ASP A 20 -13.025 8.542 -10.873 1.00 0.40 C ATOM 267 CG ASP A 20 -14.351 9.069 -11.377 1.00 0.43 C ATOM 268 OD1 ASP A 20 -14.492 9.263 -12.600 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.266 9.287 -10.547 1.00 0.42 O ATOM 0 H ASP A 20 -11.028 7.231 -10.108 1.00 0.36 H new ATOM 0 HA ASP A 20 -13.778 6.549 -10.609 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -12.911 8.801 -9.820 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.214 9.033 -11.411 1.00 0.40 H new ATOM 274 N LYS A 21 -13.949 6.305 -13.092 1.00 0.45 N ATOM 275 CA LYS A 21 -14.018 5.939 -14.494 1.00 0.52 C ATOM 276 C LYS A 21 -15.266 6.501 -15.154 1.00 0.55 C ATOM 277 O LYS A 21 -15.692 6.019 -16.204 1.00 0.72 O ATOM 278 CB LYS A 21 -13.993 4.419 -14.634 1.00 0.53 C ATOM 279 CG LYS A 21 -12.613 3.829 -14.428 1.00 0.58 C ATOM 280 CD LYS A 21 -11.669 4.268 -15.534 1.00 0.71 C ATOM 281 CE LYS A 21 -10.218 4.101 -15.133 1.00 0.73 C ATOM 282 NZ LYS A 21 -9.740 5.257 -14.333 1.00 0.62 N ATOM 0 H LYS A 21 -14.841 6.250 -12.600 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.151 6.366 -14.998 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -14.681 3.982 -13.911 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.355 4.145 -15.625 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.219 4.143 -13.461 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -12.677 2.741 -14.408 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -11.867 3.685 -16.434 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -11.860 5.312 -15.782 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.102 3.184 -14.555 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -9.602 3.995 -16.026 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.038 5.792 -14.882 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -10.544 5.876 -14.102 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -9.304 4.914 -13.454 1.00 0.62 H new ATOM 296 N ASP A 22 -15.846 7.526 -14.553 1.00 0.49 N ATOM 297 CA ASP A 22 -17.050 8.132 -15.100 1.00 0.52 C ATOM 298 C ASP A 22 -16.904 9.649 -15.256 1.00 0.53 C ATOM 299 O ASP A 22 -17.541 10.251 -16.122 1.00 0.57 O ATOM 300 CB ASP A 22 -18.278 7.780 -14.246 1.00 0.51 C ATOM 301 CG ASP A 22 -18.088 8.023 -12.760 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.457 9.019 -12.376 1.00 0.47 O ATOM 303 OD2 ASP A 22 -18.573 7.206 -11.948 1.00 0.47 O ATOM 0 H ASP A 22 -15.506 7.954 -13.692 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.199 7.718 -16.097 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.129 8.366 -14.593 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -18.528 6.731 -14.403 1.00 0.51 H new ATOM 308 N GLY A 23 -16.046 10.259 -14.451 1.00 0.52 N ATOM 309 CA GLY A 23 -15.837 11.690 -14.534 1.00 0.55 C ATOM 310 C GLY A 23 -16.703 12.465 -13.559 1.00 0.54 C ATOM 311 O GLY A 23 -16.820 13.687 -13.657 1.00 0.59 O ATOM 0 H GLY A 23 -15.489 9.786 -13.739 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -14.788 11.912 -14.338 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.049 12.026 -15.549 1.00 0.55 H new ATOM 315 N ASP A 24 -17.314 11.759 -12.613 1.00 0.50 N ATOM 316 CA ASP A 24 -18.166 12.399 -11.620 1.00 0.51 C ATOM 317 C ASP A 24 -17.319 12.918 -10.463 1.00 0.51 C ATOM 318 O ASP A 24 -17.680 13.888 -9.797 1.00 0.58 O ATOM 319 CB ASP A 24 -19.265 11.435 -11.141 1.00 0.50 C ATOM 320 CG ASP A 24 -18.997 10.817 -9.781 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.174 9.878 -9.692 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.623 11.249 -8.796 1.00 0.57 O ATOM 0 H ASP A 24 -17.235 10.747 -12.514 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.667 13.253 -12.077 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.213 11.971 -11.104 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.379 10.637 -11.875 1.00 0.50 H new ATOM 327 N GLY A 25 -16.179 12.276 -10.238 1.00 0.47 N ATOM 328 CA GLY A 25 -15.282 12.713 -9.187 1.00 0.50 C ATOM 329 C GLY A 25 -15.549 12.063 -7.841 1.00 0.50 C ATOM 330 O GLY A 25 -15.128 12.587 -6.807 1.00 0.74 O ATOM 0 H GLY A 25 -15.861 11.462 -10.764 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.256 12.499 -9.486 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.363 13.795 -9.080 1.00 0.50 H new ATOM 334 N THR A 26 -16.254 10.939 -7.837 1.00 0.41 N ATOM 335 CA THR A 26 -16.536 10.230 -6.593 1.00 0.39 C ATOM 336 C THR A 26 -16.336 8.729 -6.780 1.00 0.34 C ATOM 337 O THR A 26 -16.585 8.183 -7.864 1.00 0.37 O ATOM 338 CB THR A 26 -17.960 10.508 -6.062 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.450 11.746 -6.589 1.00 0.47 O ATOM 340 CG2 THR A 26 -17.964 10.572 -4.539 1.00 0.46 C ATOM 0 H THR A 26 -16.639 10.500 -8.674 1.00 0.41 H new ATOM 0 HA THR A 26 -15.832 10.605 -5.849 1.00 0.39 H new ATOM 0 HB THR A 26 -18.607 9.693 -6.385 1.00 0.42 H new ATOM 0 HG1 THR A 26 -19.123 11.565 -7.278 1.00 0.47 H new ATOM 0 HG21 THR A 26 -18.976 10.769 -4.186 1.00 0.46 H new ATOM 0 HG22 THR A 26 -17.617 9.622 -4.134 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.302 11.372 -4.207 1.00 0.46 H new ATOM 348 N ILE A 27 -15.878 8.070 -5.720 1.00 0.33 N ATOM 349 CA ILE A 27 -15.612 6.643 -5.753 1.00 0.31 C ATOM 350 C ILE A 27 -16.903 5.835 -5.590 1.00 0.32 C ATOM 351 O ILE A 27 -17.738 6.149 -4.743 1.00 0.41 O ATOM 352 CB ILE A 27 -14.625 6.237 -4.624 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.169 6.488 -5.026 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.806 4.778 -4.249 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.458 7.486 -4.141 1.00 0.37 C ATOM 0 H ILE A 27 -15.683 8.510 -4.821 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.169 6.423 -6.724 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.853 6.861 -3.760 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.626 5.543 -5.002 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.142 6.845 -6.056 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.105 4.516 -3.457 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.826 4.616 -3.899 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.618 4.152 -5.121 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.432 7.612 -4.486 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -12.976 8.444 -4.184 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.453 7.122 -3.114 1.00 0.37 H new ATOM 367 N THR A 28 -17.069 4.820 -6.423 1.00 0.31 N ATOM 368 CA THR A 28 -18.222 3.939 -6.322 1.00 0.33 C ATOM 369 C THR A 28 -17.724 2.504 -6.195 1.00 0.32 C ATOM 370 O THR A 28 -16.520 2.258 -6.290 1.00 0.33 O ATOM 371 CB THR A 28 -19.170 4.053 -7.536 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.451 3.788 -8.742 1.00 0.39 O ATOM 373 CG2 THR A 28 -19.815 5.429 -7.608 1.00 0.41 C ATOM 0 H THR A 28 -16.421 4.586 -7.175 1.00 0.31 H new ATOM 0 HA THR A 28 -18.796 4.237 -5.445 1.00 0.33 H new ATOM 0 HB THR A 28 -19.963 3.315 -7.415 1.00 0.37 H new ATOM 0 HG1 THR A 28 -17.690 4.402 -8.811 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.476 5.476 -8.473 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.392 5.608 -6.701 1.00 0.41 H new ATOM 0 HG23 THR A 28 -19.040 6.190 -7.702 1.00 0.41 H new ATOM 381 N THR A 29 -18.627 1.559 -6.013 1.00 0.32 N ATOM 382 CA THR A 29 -18.225 0.172 -5.868 1.00 0.34 C ATOM 383 C THR A 29 -17.906 -0.409 -7.241 1.00 0.34 C ATOM 384 O THR A 29 -16.955 -1.174 -7.412 1.00 0.38 O ATOM 385 CB THR A 29 -19.326 -0.675 -5.206 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.004 0.093 -4.203 1.00 0.57 O ATOM 387 CG2 THR A 29 -18.735 -1.932 -4.584 1.00 0.60 C ATOM 0 H THR A 29 -19.633 1.723 -5.962 1.00 0.32 H new ATOM 0 HA THR A 29 -17.344 0.145 -5.227 1.00 0.34 H new ATOM 0 HB THR A 29 -20.041 -0.970 -5.974 1.00 0.38 H new ATOM 0 HG1 THR A 29 -20.617 -0.487 -3.706 1.00 0.57 H new ATOM 0 HG21 THR A 29 -19.530 -2.517 -4.121 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.250 -2.527 -5.358 1.00 0.60 H new ATOM 0 HG23 THR A 29 -18.002 -1.653 -3.827 1.00 0.60 H new ATOM 395 N LYS A 30 -18.691 0.009 -8.225 1.00 0.35 N ATOM 396 CA LYS A 30 -18.549 -0.459 -9.593 1.00 0.39 C ATOM 397 C LYS A 30 -17.225 -0.040 -10.215 1.00 0.36 C ATOM 398 O LYS A 30 -16.612 -0.797 -10.975 1.00 0.37 O ATOM 399 CB LYS A 30 -19.711 0.074 -10.432 1.00 0.46 C ATOM 400 CG LYS A 30 -19.659 -0.323 -11.900 1.00 0.74 C ATOM 401 CD LYS A 30 -20.609 0.522 -12.741 1.00 1.11 C ATOM 402 CE LYS A 30 -20.145 1.971 -12.855 1.00 1.68 C ATOM 403 NZ LYS A 30 -21.195 2.844 -13.448 1.00 2.22 N ATOM 0 H LYS A 30 -19.445 0.683 -8.095 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.563 -1.549 -9.575 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -20.647 -0.285 -10.004 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -19.725 1.162 -10.362 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -18.641 -0.209 -12.273 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -19.920 -1.376 -12.003 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -20.691 0.089 -13.738 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -21.605 0.495 -12.299 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -19.877 2.345 -11.867 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -19.245 2.017 -13.468 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -20.841 3.820 -13.509 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -21.433 2.502 -14.401 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -22.045 2.820 -12.849 1.00 2.22 H new ATOM 417 N GLU A 31 -16.756 1.162 -9.888 1.00 0.37 N ATOM 418 CA GLU A 31 -15.516 1.663 -10.446 1.00 0.37 C ATOM 419 C GLU A 31 -14.311 0.928 -9.864 1.00 0.36 C ATOM 420 O GLU A 31 -13.536 0.311 -10.599 1.00 0.38 O ATOM 421 CB GLU A 31 -15.389 3.163 -10.177 1.00 0.37 C ATOM 422 CG GLU A 31 -16.357 4.001 -10.989 1.00 0.42 C ATOM 423 CD GLU A 31 -16.383 5.449 -10.552 1.00 0.40 C ATOM 424 OE1 GLU A 31 -16.965 5.754 -9.495 1.00 0.39 O ATOM 425 OE2 GLU A 31 -15.852 6.308 -11.272 1.00 0.42 O ATOM 0 H GLU A 31 -17.219 1.800 -9.241 1.00 0.37 H new ATOM 0 HA GLU A 31 -15.535 1.487 -11.522 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.558 3.351 -9.117 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.370 3.480 -10.399 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.082 3.948 -12.042 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.359 3.581 -10.900 1.00 0.42 H new ATOM 432 N LEU A 32 -14.190 0.968 -8.545 1.00 0.35 N ATOM 433 CA LEU A 32 -13.081 0.319 -7.850 1.00 0.35 C ATOM 434 C LEU A 32 -13.092 -1.182 -8.111 1.00 0.36 C ATOM 435 O LEU A 32 -12.038 -1.813 -8.233 1.00 0.38 O ATOM 436 CB LEU A 32 -13.145 0.595 -6.341 1.00 0.35 C ATOM 437 CG LEU A 32 -12.574 1.951 -5.883 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.181 3.104 -6.662 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.813 2.154 -4.399 1.00 0.44 C ATOM 0 H LEU A 32 -14.849 1.445 -7.929 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.151 0.735 -8.237 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.186 0.534 -6.023 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.607 -0.198 -5.822 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.502 1.936 -6.077 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.755 4.044 -6.312 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -12.964 2.980 -7.723 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.260 3.117 -6.511 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.403 3.117 -4.093 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -13.884 2.135 -4.197 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.324 1.357 -3.839 1.00 0.44 H new ATOM 451 N GLY A 33 -14.294 -1.746 -8.202 1.00 0.39 N ATOM 452 CA GLY A 33 -14.439 -3.165 -8.460 1.00 0.42 C ATOM 453 C GLY A 33 -13.828 -3.564 -9.784 1.00 0.46 C ATOM 454 O GLY A 33 -13.204 -4.615 -9.898 1.00 0.50 O ATOM 0 H GLY A 33 -15.174 -1.240 -8.101 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -13.966 -3.730 -7.657 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -15.497 -3.429 -8.454 1.00 0.42 H new ATOM 458 N THR A 34 -14.008 -2.717 -10.788 1.00 0.46 N ATOM 459 CA THR A 34 -13.449 -2.958 -12.108 1.00 0.52 C ATOM 460 C THR A 34 -11.920 -3.045 -12.046 1.00 0.53 C ATOM 461 O THR A 34 -11.302 -3.830 -12.771 1.00 0.56 O ATOM 462 CB THR A 34 -13.869 -1.840 -13.086 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.296 -1.816 -13.200 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.252 -2.044 -14.459 1.00 0.60 C ATOM 0 H THR A 34 -14.541 -1.851 -10.711 1.00 0.46 H new ATOM 0 HA THR A 34 -13.839 -3.910 -12.468 1.00 0.52 H new ATOM 0 HB THR A 34 -13.510 -0.890 -12.691 1.00 0.54 H new ATOM 0 HG1 THR A 34 -15.684 -1.447 -12.379 1.00 0.58 H new ATOM 0 HG21 THR A 34 -13.568 -1.240 -15.123 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.165 -2.039 -14.374 1.00 0.60 H new ATOM 0 HG23 THR A 34 -13.579 -3.001 -14.866 1.00 0.60 H new ATOM 472 N VAL A 35 -11.317 -2.269 -11.156 1.00 0.53 N ATOM 473 CA VAL A 35 -9.866 -2.257 -11.014 1.00 0.55 C ATOM 474 C VAL A 35 -9.382 -3.521 -10.305 1.00 0.57 C ATOM 475 O VAL A 35 -8.361 -4.100 -10.677 1.00 0.58 O ATOM 476 CB VAL A 35 -9.382 -1.000 -10.260 1.00 0.58 C ATOM 477 CG1 VAL A 35 -7.863 -0.949 -10.204 1.00 0.63 C ATOM 478 CG2 VAL A 35 -9.921 0.261 -10.924 1.00 0.60 C ATOM 0 H VAL A 35 -11.809 -1.640 -10.522 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.438 -2.232 -12.016 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.763 -1.054 -9.240 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.549 -0.054 -9.668 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.488 -1.832 -9.687 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.462 -0.924 -11.217 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.570 1.137 -10.379 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.569 0.309 -11.954 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -11.011 0.240 -10.914 1.00 0.60 H new ATOM 488 N MET A 36 -10.141 -3.968 -9.308 1.00 0.58 N ATOM 489 CA MET A 36 -9.784 -5.175 -8.571 1.00 0.62 C ATOM 490 C MET A 36 -10.068 -6.418 -9.409 1.00 0.62 C ATOM 491 O MET A 36 -9.646 -7.521 -9.071 1.00 0.67 O ATOM 492 CB MET A 36 -10.556 -5.256 -7.254 1.00 0.65 C ATOM 493 CG MET A 36 -9.893 -6.157 -6.222 1.00 0.82 C ATOM 494 SD MET A 36 -11.079 -6.916 -5.093 1.00 0.92 S ATOM 495 CE MET A 36 -11.996 -5.475 -4.546 1.00 1.07 C ATOM 0 H MET A 36 -11.000 -3.516 -8.994 1.00 0.58 H new ATOM 0 HA MET A 36 -8.717 -5.129 -8.351 1.00 0.62 H new ATOM 0 HB2 MET A 36 -10.658 -4.253 -6.839 1.00 0.65 H new ATOM 0 HB3 MET A 36 -11.563 -5.623 -7.453 1.00 0.65 H new ATOM 0 HG2 MET A 36 -9.334 -6.940 -6.735 1.00 0.82 H new ATOM 0 HG3 MET A 36 -9.172 -5.575 -5.648 1.00 0.82 H new ATOM 0 HE1 MET A 36 -12.802 -5.787 -3.882 1.00 1.07 H new ATOM 0 HE2 MET A 36 -11.328 -4.799 -4.012 1.00 1.07 H new ATOM 0 HE3 MET A 36 -12.416 -4.961 -5.411 1.00 1.07 H new ATOM 505 N ARG A 37 -10.774 -6.220 -10.505 1.00 0.60 N ATOM 506 CA ARG A 37 -11.113 -7.307 -11.402 1.00 0.63 C ATOM 507 C ARG A 37 -9.894 -7.653 -12.251 1.00 0.65 C ATOM 508 O ARG A 37 -9.546 -8.823 -12.418 1.00 0.68 O ATOM 509 CB ARG A 37 -12.312 -6.905 -12.269 1.00 0.64 C ATOM 510 CG ARG A 37 -13.143 -8.081 -12.752 1.00 0.72 C ATOM 511 CD ARG A 37 -14.220 -7.645 -13.735 1.00 0.83 C ATOM 512 NE ARG A 37 -13.654 -6.893 -14.850 1.00 0.86 N ATOM 513 CZ ARG A 37 -14.049 -5.674 -15.217 1.00 1.25 C ATOM 514 NH1 ARG A 37 -15.039 -5.060 -14.576 1.00 1.82 N ATOM 515 NH2 ARG A 37 -13.444 -5.069 -16.225 1.00 1.32 N ATOM 0 H ARG A 37 -11.126 -5.309 -10.797 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.396 -8.193 -10.834 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -12.951 -6.231 -11.698 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -11.952 -6.347 -13.134 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -12.492 -8.815 -13.227 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.608 -8.573 -11.898 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -14.744 -8.522 -14.115 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -14.958 -7.032 -13.219 1.00 0.83 H new ATOM 0 HE ARG A 37 -12.904 -7.330 -15.386 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -15.505 -5.522 -13.795 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -15.333 -4.127 -14.866 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -12.681 -5.535 -16.716 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -13.740 -4.136 -16.512 1.00 1.32 H new ATOM 529 N SER A 38 -9.235 -6.616 -12.762 1.00 0.64 N ATOM 530 CA SER A 38 -8.037 -6.768 -13.574 1.00 0.68 C ATOM 531 C SER A 38 -6.854 -7.254 -12.745 1.00 0.66 C ATOM 532 O SER A 38 -5.796 -7.558 -13.284 1.00 0.69 O ATOM 533 CB SER A 38 -7.694 -5.434 -14.235 1.00 0.70 C ATOM 534 OG SER A 38 -8.292 -4.363 -13.521 1.00 0.80 O ATOM 0 H SER A 38 -9.519 -5.646 -12.623 1.00 0.64 H new ATOM 0 HA SER A 38 -8.239 -7.519 -14.337 1.00 0.68 H new ATOM 0 HB2 SER A 38 -6.612 -5.302 -14.264 1.00 0.70 H new ATOM 0 HB3 SER A 38 -8.043 -5.432 -15.268 1.00 0.70 H new ATOM 0 HG SER A 38 -7.613 -3.914 -12.975 1.00 0.80 H new ATOM 540 N LEU A 39 -7.024 -7.312 -11.429 1.00 0.66 N ATOM 541 CA LEU A 39 -5.964 -7.783 -10.545 1.00 0.67 C ATOM 542 C LEU A 39 -5.967 -9.303 -10.496 1.00 0.73 C ATOM 543 O LEU A 39 -5.132 -9.916 -9.834 1.00 0.86 O ATOM 544 CB LEU A 39 -6.124 -7.213 -9.130 1.00 0.62 C ATOM 545 CG LEU A 39 -5.728 -5.740 -8.955 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.028 -5.269 -7.544 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.250 -5.535 -9.261 1.00 0.57 C ATOM 0 H LEU A 39 -7.883 -7.040 -10.952 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.011 -7.434 -10.944 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.165 -7.328 -8.828 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -5.525 -7.815 -8.446 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.317 -5.151 -9.659 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -5.740 -4.223 -7.441 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.095 -5.373 -7.345 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -5.465 -5.872 -6.832 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -3.994 -4.484 -9.130 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -3.650 -6.142 -8.583 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -4.047 -5.833 -10.290 1.00 0.57 H new ATOM 559 N GLY A 40 -6.912 -9.907 -11.205 1.00 0.74 N ATOM 560 CA GLY A 40 -7.012 -11.349 -11.221 1.00 0.82 C ATOM 561 C GLY A 40 -7.978 -11.839 -10.173 1.00 0.79 C ATOM 562 O GLY A 40 -8.102 -13.038 -9.934 1.00 0.89 O ATOM 0 H GLY A 40 -7.610 -9.422 -11.769 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.339 -11.683 -12.206 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -6.029 -11.786 -11.047 1.00 0.82 H new ATOM 566 N GLN A 41 -8.653 -10.894 -9.547 1.00 0.80 N ATOM 567 CA GLN A 41 -9.618 -11.189 -8.507 1.00 0.79 C ATOM 568 C GLN A 41 -11.034 -10.929 -9.012 1.00 0.77 C ATOM 569 O GLN A 41 -11.259 -9.982 -9.761 1.00 0.92 O ATOM 570 CB GLN A 41 -9.316 -10.317 -7.292 1.00 0.82 C ATOM 571 CG GLN A 41 -8.066 -10.744 -6.545 1.00 0.93 C ATOM 572 CD GLN A 41 -8.342 -11.845 -5.546 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.333 -13.028 -5.886 1.00 1.25 O ATOM 574 NE2 GLN A 41 -8.583 -11.462 -4.302 1.00 1.23 N ATOM 0 H GLN A 41 -8.547 -9.899 -9.746 1.00 0.80 H new ATOM 0 HA GLN A 41 -9.547 -12.240 -8.227 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.203 -9.282 -7.615 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.166 -10.347 -6.611 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -7.317 -11.085 -7.260 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.644 -9.883 -6.026 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -8.581 -10.470 -4.064 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -8.771 -12.159 -3.581 1.00 1.23 H new ATOM 583 N ASN A 42 -11.979 -11.776 -8.629 1.00 0.69 N ATOM 584 CA ASN A 42 -13.375 -11.606 -9.040 1.00 0.69 C ATOM 585 C ASN A 42 -14.289 -11.745 -7.825 1.00 0.65 C ATOM 586 O ASN A 42 -14.887 -12.799 -7.603 1.00 0.74 O ATOM 587 CB ASN A 42 -13.771 -12.626 -10.122 1.00 0.76 C ATOM 588 CG ASN A 42 -15.067 -12.270 -10.843 1.00 1.02 C ATOM 589 OD1 ASN A 42 -16.167 -12.591 -10.383 1.00 1.37 O ATOM 590 ND2 ASN A 42 -14.951 -11.627 -11.994 1.00 1.33 N ATOM 0 H ASN A 42 -11.810 -12.588 -8.035 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.486 -10.609 -9.467 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -12.966 -12.701 -10.853 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -13.877 -13.609 -9.663 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -15.785 -11.383 -12.528 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -14.028 -11.376 -12.347 1.00 1.33 H new ATOM 597 N PRO A 43 -14.368 -10.691 -6.994 1.00 0.60 N ATOM 598 CA PRO A 43 -15.212 -10.695 -5.805 1.00 0.61 C ATOM 599 C PRO A 43 -16.666 -10.391 -6.136 1.00 0.56 C ATOM 600 O PRO A 43 -16.974 -9.812 -7.184 1.00 0.55 O ATOM 601 CB PRO A 43 -14.618 -9.574 -4.957 1.00 0.65 C ATOM 602 CG PRO A 43 -14.034 -8.615 -5.932 1.00 0.74 C ATOM 603 CD PRO A 43 -13.632 -9.419 -7.143 1.00 0.66 C ATOM 0 HA PRO A 43 -15.225 -11.666 -5.310 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.383 -9.096 -4.344 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -13.857 -9.956 -4.276 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -14.759 -7.847 -6.201 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.172 -8.104 -5.503 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -13.902 -8.909 -8.067 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -12.555 -9.583 -7.172 1.00 0.66 H new ATOM 611 N THR A 44 -17.553 -10.773 -5.240 1.00 0.58 N ATOM 612 CA THR A 44 -18.967 -10.547 -5.433 1.00 0.58 C ATOM 613 C THR A 44 -19.410 -9.331 -4.642 1.00 0.52 C ATOM 614 O THR A 44 -18.616 -8.759 -3.901 1.00 0.49 O ATOM 615 CB THR A 44 -19.785 -11.783 -5.015 1.00 0.67 C ATOM 616 OG1 THR A 44 -19.589 -12.074 -3.623 1.00 0.91 O ATOM 617 CG2 THR A 44 -19.385 -12.987 -5.856 1.00 1.04 C ATOM 0 H THR A 44 -17.316 -11.244 -4.367 1.00 0.58 H new ATOM 0 HA THR A 44 -19.145 -10.367 -6.493 1.00 0.58 H new ATOM 0 HB THR A 44 -20.840 -11.566 -5.180 1.00 0.67 H new ATOM 0 HG1 THR A 44 -18.663 -12.360 -3.476 1.00 0.91 H new ATOM 0 HG21 THR A 44 -19.970 -13.854 -5.551 1.00 1.04 H new ATOM 0 HG22 THR A 44 -19.573 -12.774 -6.908 1.00 1.04 H new ATOM 0 HG23 THR A 44 -18.325 -13.196 -5.712 1.00 1.04 H new ATOM 625 N GLU A 45 -20.668 -8.929 -4.803 1.00 0.53 N ATOM 626 CA GLU A 45 -21.215 -7.768 -4.101 1.00 0.54 C ATOM 627 C GLU A 45 -20.982 -7.830 -2.579 1.00 0.50 C ATOM 628 O GLU A 45 -20.923 -6.789 -1.917 1.00 0.54 O ATOM 629 CB GLU A 45 -22.708 -7.619 -4.409 1.00 0.62 C ATOM 630 CG GLU A 45 -22.983 -6.921 -5.736 1.00 0.97 C ATOM 631 CD GLU A 45 -22.909 -5.403 -5.634 1.00 1.50 C ATOM 632 OE1 GLU A 45 -21.789 -4.859 -5.539 1.00 1.89 O ATOM 633 OE2 GLU A 45 -23.973 -4.748 -5.652 1.00 2.18 O ATOM 0 H GLU A 45 -21.334 -9.394 -5.419 1.00 0.53 H new ATOM 0 HA GLU A 45 -20.680 -6.891 -4.466 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.169 -8.606 -4.423 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -23.183 -7.057 -3.605 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -22.263 -7.266 -6.478 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -23.972 -7.208 -6.094 1.00 0.97 H new ATOM 640 N ALA A 46 -20.795 -9.041 -2.035 1.00 0.51 N ATOM 641 CA ALA A 46 -20.564 -9.210 -0.598 1.00 0.54 C ATOM 642 C ALA A 46 -19.157 -8.747 -0.239 1.00 0.50 C ATOM 643 O ALA A 46 -18.932 -8.100 0.789 1.00 0.51 O ATOM 644 CB ALA A 46 -20.771 -10.661 -0.197 1.00 0.63 C ATOM 0 H ALA A 46 -20.800 -9.911 -2.567 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.281 -8.599 -0.049 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -20.596 -10.771 0.873 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -21.793 -10.961 -0.430 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.073 -11.293 -0.746 1.00 0.63 H new ATOM 650 N GLU A 47 -18.207 -9.098 -1.093 1.00 0.49 N ATOM 651 CA GLU A 47 -16.819 -8.701 -0.903 1.00 0.51 C ATOM 652 C GLU A 47 -16.621 -7.270 -1.399 1.00 0.49 C ATOM 653 O GLU A 47 -15.921 -6.476 -0.771 1.00 0.51 O ATOM 654 CB GLU A 47 -15.867 -9.645 -1.641 1.00 0.56 C ATOM 655 CG GLU A 47 -15.848 -11.064 -1.098 1.00 0.73 C ATOM 656 CD GLU A 47 -16.915 -11.943 -1.712 1.00 0.95 C ATOM 657 OE1 GLU A 47 -17.053 -11.937 -2.952 1.00 1.28 O ATOM 658 OE2 GLU A 47 -17.609 -12.644 -0.958 1.00 1.57 O ATOM 0 H GLU A 47 -18.373 -9.660 -1.928 1.00 0.49 H new ATOM 0 HA GLU A 47 -16.590 -8.755 0.161 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.148 -9.675 -2.694 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -14.858 -9.236 -1.592 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -14.869 -11.506 -1.284 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -15.985 -11.036 -0.017 1.00 0.73 H new ATOM 665 N LEU A 48 -17.258 -6.954 -2.525 1.00 0.47 N ATOM 666 CA LEU A 48 -17.174 -5.629 -3.135 1.00 0.50 C ATOM 667 C LEU A 48 -17.552 -4.526 -2.153 1.00 0.48 C ATOM 668 O LEU A 48 -16.847 -3.527 -2.049 1.00 0.53 O ATOM 669 CB LEU A 48 -18.083 -5.541 -4.368 1.00 0.53 C ATOM 670 CG LEU A 48 -17.545 -6.215 -5.631 1.00 0.57 C ATOM 671 CD1 LEU A 48 -18.563 -6.140 -6.764 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.238 -5.562 -6.051 1.00 0.62 C ATOM 0 H LEU A 48 -17.847 -7.609 -3.040 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.136 -5.483 -3.433 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.046 -5.988 -4.121 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -18.267 -4.489 -4.588 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.362 -7.267 -5.410 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.157 -6.626 -7.651 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -19.481 -6.644 -6.462 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -18.780 -5.096 -6.990 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -15.861 -6.048 -6.951 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -16.408 -4.505 -6.253 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -15.506 -5.665 -5.250 1.00 0.62 H new ATOM 684 N GLN A 49 -18.636 -4.716 -1.421 1.00 0.48 N ATOM 685 CA GLN A 49 -19.078 -3.710 -0.466 1.00 0.50 C ATOM 686 C GLN A 49 -18.242 -3.785 0.803 1.00 0.49 C ATOM 687 O GLN A 49 -18.115 -2.801 1.525 1.00 0.49 O ATOM 688 CB GLN A 49 -20.561 -3.886 -0.127 1.00 0.57 C ATOM 689 CG GLN A 49 -21.449 -2.794 -0.707 1.00 0.73 C ATOM 690 CD GLN A 49 -21.564 -2.850 -2.220 1.00 0.98 C ATOM 691 OE1 GLN A 49 -21.664 -1.814 -2.884 1.00 1.18 O ATOM 692 NE2 GLN A 49 -21.574 -4.050 -2.776 1.00 1.26 N ATOM 0 H GLN A 49 -19.223 -5.549 -1.467 1.00 0.48 H new ATOM 0 HA GLN A 49 -18.946 -2.730 -0.924 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -20.898 -4.854 -0.499 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.679 -3.902 0.957 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.445 -2.876 -0.271 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.053 -1.821 -0.416 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -21.489 -4.883 -2.193 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -21.667 -4.143 -3.788 1.00 1.26 H new ATOM 701 N ASP A 50 -17.675 -4.963 1.063 1.00 0.50 N ATOM 702 CA ASP A 50 -16.840 -5.163 2.244 1.00 0.53 C ATOM 703 C ASP A 50 -15.645 -4.220 2.197 1.00 0.50 C ATOM 704 O ASP A 50 -15.286 -3.596 3.194 1.00 0.53 O ATOM 705 CB ASP A 50 -16.344 -6.609 2.328 1.00 0.58 C ATOM 706 CG ASP A 50 -15.918 -6.999 3.731 1.00 0.81 C ATOM 707 OD1 ASP A 50 -16.803 -7.334 4.552 1.00 0.90 O ATOM 708 OD2 ASP A 50 -14.702 -6.994 4.010 1.00 1.38 O ATOM 0 H ASP A 50 -17.779 -5.789 0.474 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.444 -4.951 3.127 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -17.134 -7.280 1.992 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -15.503 -6.741 1.647 1.00 0.58 H new ATOM 713 N MET A 51 -15.050 -4.115 1.014 1.00 0.47 N ATOM 714 CA MET A 51 -13.895 -3.248 0.802 1.00 0.47 C ATOM 715 C MET A 51 -14.273 -1.796 1.022 1.00 0.44 C ATOM 716 O MET A 51 -13.550 -1.043 1.681 1.00 0.46 O ATOM 717 CB MET A 51 -13.346 -3.421 -0.611 1.00 0.49 C ATOM 718 CG MET A 51 -13.065 -4.863 -0.968 1.00 0.54 C ATOM 719 SD MET A 51 -11.908 -5.639 0.171 1.00 0.88 S ATOM 720 CE MET A 51 -11.910 -7.307 -0.469 1.00 1.38 C ATOM 0 H MET A 51 -15.350 -4.623 0.182 1.00 0.47 H new ATOM 0 HA MET A 51 -13.126 -3.531 1.521 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.060 -3.009 -1.324 1.00 0.49 H new ATOM 0 HB3 MET A 51 -12.427 -2.843 -0.710 1.00 0.49 H new ATOM 0 HG2 MET A 51 -14.000 -5.423 -0.969 1.00 0.54 H new ATOM 0 HG3 MET A 51 -12.663 -4.912 -1.980 1.00 0.54 H new ATOM 0 HE1 MET A 51 -11.239 -7.926 0.127 1.00 1.38 H new ATOM 0 HE2 MET A 51 -12.920 -7.715 -0.419 1.00 1.38 H new ATOM 0 HE3 MET A 51 -11.572 -7.299 -1.505 1.00 1.38 H new ATOM 730 N ILE A 52 -15.412 -1.409 0.465 1.00 0.42 N ATOM 731 CA ILE A 52 -15.913 -0.052 0.597 1.00 0.43 C ATOM 732 C ILE A 52 -16.283 0.242 2.055 1.00 0.46 C ATOM 733 O ILE A 52 -16.047 1.341 2.555 1.00 0.46 O ATOM 734 CB ILE A 52 -17.147 0.175 -0.308 1.00 0.43 C ATOM 735 CG1 ILE A 52 -16.889 -0.363 -1.720 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.491 1.651 -0.380 1.00 0.48 C ATOM 737 CD1 ILE A 52 -15.838 0.416 -2.487 1.00 0.48 C ATOM 0 H ILE A 52 -16.010 -2.024 -0.087 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.121 0.628 0.283 1.00 0.43 H new ATOM 0 HB ILE A 52 -17.987 -0.365 0.128 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -16.577 -1.405 -1.651 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -17.823 -0.346 -2.282 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.361 1.791 -1.021 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.714 2.022 0.620 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.645 2.202 -0.791 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -15.710 -0.023 -3.476 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.156 1.454 -2.589 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -14.891 0.378 -1.948 1.00 0.48 H new ATOM 749 N ASN A 53 -16.845 -0.758 2.731 1.00 0.52 N ATOM 750 CA ASN A 53 -17.255 -0.636 4.138 1.00 0.59 C ATOM 751 C ASN A 53 -16.052 -0.366 5.032 1.00 0.61 C ATOM 752 O ASN A 53 -16.163 0.314 6.050 1.00 0.66 O ATOM 753 CB ASN A 53 -17.976 -1.917 4.595 1.00 0.68 C ATOM 754 CG ASN A 53 -18.210 -1.978 6.093 1.00 1.02 C ATOM 755 OD1 ASN A 53 -19.102 -1.317 6.621 1.00 1.29 O ATOM 756 ND2 ASN A 53 -17.423 -2.797 6.784 1.00 1.40 N ATOM 0 H ASN A 53 -17.031 -1.675 2.325 1.00 0.52 H new ATOM 0 HA ASN A 53 -17.941 0.207 4.221 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.935 -1.987 4.082 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -17.388 -2.783 4.291 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -17.548 -2.895 7.792 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -16.694 -3.328 6.307 1.00 1.40 H new ATOM 763 N GLU A 54 -14.907 -0.899 4.642 1.00 0.61 N ATOM 764 CA GLU A 54 -13.682 -0.704 5.400 1.00 0.66 C ATOM 765 C GLU A 54 -13.316 0.787 5.416 1.00 0.61 C ATOM 766 O GLU A 54 -12.849 1.310 6.433 1.00 0.71 O ATOM 767 CB GLU A 54 -12.564 -1.561 4.792 1.00 0.73 C ATOM 768 CG GLU A 54 -11.261 -1.540 5.576 1.00 1.31 C ATOM 769 CD GLU A 54 -10.428 -0.329 5.234 1.00 2.20 C ATOM 770 OE1 GLU A 54 -10.303 -0.022 4.029 1.00 2.70 O ATOM 771 OE2 GLU A 54 -9.928 0.328 6.166 1.00 2.84 O ATOM 0 H GLU A 54 -14.799 -1.471 3.804 1.00 0.61 H new ATOM 0 HA GLU A 54 -13.824 -1.021 6.433 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -12.912 -2.591 4.717 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -12.369 -1.215 3.777 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -11.478 -1.543 6.644 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -10.693 -2.445 5.363 1.00 1.31 H new ATOM 778 N VAL A 55 -13.577 1.469 4.305 1.00 0.51 N ATOM 779 CA VAL A 55 -13.277 2.891 4.177 1.00 0.47 C ATOM 780 C VAL A 55 -14.398 3.739 4.769 1.00 0.44 C ATOM 781 O VAL A 55 -14.156 4.784 5.376 1.00 0.51 O ATOM 782 CB VAL A 55 -13.099 3.304 2.696 1.00 0.49 C ATOM 783 CG1 VAL A 55 -12.434 4.670 2.593 1.00 0.82 C ATOM 784 CG2 VAL A 55 -12.321 2.247 1.922 1.00 0.59 C ATOM 0 H VAL A 55 -13.999 1.055 3.474 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.347 3.062 4.719 1.00 0.47 H new ATOM 0 HB VAL A 55 -14.088 3.379 2.243 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -12.319 4.940 1.543 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.053 5.415 3.094 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -11.454 4.634 3.068 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -12.211 2.563 0.885 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -11.335 2.120 2.369 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -12.860 1.300 1.957 1.00 0.59 H new ATOM 794 N ASP A 56 -15.622 3.268 4.586 1.00 0.48 N ATOM 795 CA ASP A 56 -16.815 3.970 5.045 1.00 0.47 C ATOM 796 C ASP A 56 -16.878 4.060 6.561 1.00 0.50 C ATOM 797 O ASP A 56 -16.737 3.062 7.271 1.00 0.55 O ATOM 798 CB ASP A 56 -18.069 3.265 4.520 1.00 0.48 C ATOM 799 CG ASP A 56 -19.246 4.203 4.373 1.00 0.47 C ATOM 800 OD1 ASP A 56 -20.009 4.372 5.336 1.00 0.53 O ATOM 801 OD2 ASP A 56 -19.421 4.776 3.280 1.00 0.48 O ATOM 0 H ASP A 56 -15.819 2.386 4.114 1.00 0.48 H new ATOM 0 HA ASP A 56 -16.766 4.986 4.654 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -17.848 2.811 3.554 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.337 2.455 5.199 1.00 0.48 H new ATOM 806 N ALA A 57 -17.094 5.268 7.049 1.00 0.55 N ATOM 807 CA ALA A 57 -17.192 5.512 8.477 1.00 0.60 C ATOM 808 C ALA A 57 -18.491 6.220 8.803 1.00 0.62 C ATOM 809 O ALA A 57 -18.912 6.268 9.953 1.00 0.67 O ATOM 810 CB ALA A 57 -16.013 6.334 8.970 1.00 0.68 C ATOM 0 H ALA A 57 -17.206 6.102 6.472 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.176 4.548 8.986 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -16.110 6.503 10.042 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.086 5.797 8.770 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -15.996 7.293 8.452 1.00 0.68 H new ATOM 816 N ASP A 58 -19.133 6.777 7.790 1.00 0.60 N ATOM 817 CA ASP A 58 -20.378 7.491 8.003 1.00 0.65 C ATOM 818 C ASP A 58 -21.555 6.522 8.043 1.00 0.66 C ATOM 819 O ASP A 58 -22.557 6.783 8.706 1.00 0.73 O ATOM 820 CB ASP A 58 -20.586 8.560 6.926 1.00 0.66 C ATOM 821 CG ASP A 58 -21.319 8.047 5.700 1.00 0.64 C ATOM 822 OD1 ASP A 58 -20.666 7.484 4.798 1.00 0.61 O ATOM 823 OD2 ASP A 58 -22.548 8.217 5.625 1.00 0.74 O ATOM 0 H ASP A 58 -18.816 6.749 6.821 1.00 0.60 H new ATOM 0 HA ASP A 58 -20.320 7.994 8.968 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -21.146 9.391 7.354 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.616 8.952 6.622 1.00 0.66 H new ATOM 828 N GLY A 59 -21.422 5.401 7.350 1.00 0.62 N ATOM 829 CA GLY A 59 -22.480 4.415 7.334 1.00 0.64 C ATOM 830 C GLY A 59 -23.342 4.514 6.094 1.00 0.67 C ATOM 831 O GLY A 59 -24.540 4.250 6.143 1.00 0.90 O ATOM 0 H GLY A 59 -20.599 5.157 6.798 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.044 3.418 7.392 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.104 4.542 8.218 1.00 0.64 H new ATOM 835 N ASN A 60 -22.741 4.897 4.976 1.00 0.57 N ATOM 836 CA ASN A 60 -23.485 5.025 3.729 1.00 0.58 C ATOM 837 C ASN A 60 -23.116 3.909 2.750 1.00 0.55 C ATOM 838 O ASN A 60 -23.925 3.520 1.904 1.00 0.60 O ATOM 839 CB ASN A 60 -23.272 6.420 3.096 1.00 0.59 C ATOM 840 CG ASN A 60 -22.404 6.401 1.853 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.179 6.515 1.931 1.00 0.52 O ATOM 842 ND2 ASN A 60 -23.035 6.280 0.696 1.00 0.58 N ATOM 0 H ASN A 60 -21.749 5.123 4.906 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.545 4.924 3.960 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.243 6.846 2.844 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -22.817 7.079 3.836 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.506 6.279 -0.176 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -24.051 6.188 0.676 1.00 0.58 H new ATOM 849 N GLY A 61 -21.900 3.382 2.876 1.00 0.51 N ATOM 850 CA GLY A 61 -21.462 2.313 1.998 1.00 0.51 C ATOM 851 C GLY A 61 -20.874 2.833 0.700 1.00 0.49 C ATOM 852 O GLY A 61 -21.111 2.262 -0.364 1.00 0.52 O ATOM 0 H GLY A 61 -21.212 3.677 3.570 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.718 1.706 2.513 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.306 1.661 1.775 1.00 0.51 H new ATOM 856 N THR A 62 -20.118 3.919 0.790 1.00 0.46 N ATOM 857 CA THR A 62 -19.500 4.541 -0.377 1.00 0.45 C ATOM 858 C THR A 62 -18.331 5.423 0.048 1.00 0.42 C ATOM 859 O THR A 62 -18.444 6.181 1.014 1.00 0.45 O ATOM 860 CB THR A 62 -20.507 5.413 -1.163 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.739 4.707 -1.368 1.00 0.57 O ATOM 862 CG2 THR A 62 -19.931 5.821 -2.512 1.00 0.57 C ATOM 0 H THR A 62 -19.915 4.393 1.670 1.00 0.46 H new ATOM 0 HA THR A 62 -19.153 3.733 -1.020 1.00 0.45 H new ATOM 0 HB THR A 62 -20.701 6.308 -0.572 1.00 0.50 H new ATOM 0 HG1 THR A 62 -22.357 5.270 -1.879 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.657 6.434 -3.047 1.00 0.57 H new ATOM 0 HG22 THR A 62 -19.016 6.393 -2.359 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.708 4.929 -3.097 1.00 0.57 H new ATOM 870 N ILE A 63 -17.212 5.315 -0.664 1.00 0.40 N ATOM 871 CA ILE A 63 -16.032 6.121 -0.367 1.00 0.37 C ATOM 872 C ILE A 63 -16.283 7.570 -0.801 1.00 0.40 C ATOM 873 O ILE A 63 -16.210 7.892 -1.988 1.00 0.44 O ATOM 874 CB ILE A 63 -14.767 5.566 -1.076 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.580 4.076 -0.746 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.528 6.366 -0.698 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.221 3.520 -1.120 1.00 0.46 C ATOM 0 H ILE A 63 -17.098 4.677 -1.451 1.00 0.40 H new ATOM 0 HA ILE A 63 -15.853 6.081 0.707 1.00 0.37 H new ATOM 0 HB ILE A 63 -14.908 5.667 -2.152 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -14.738 3.930 0.323 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.349 3.502 -1.263 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.658 5.954 -1.210 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.663 7.407 -0.993 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.374 6.311 0.380 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.174 2.464 -0.853 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.066 3.630 -2.193 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.445 4.065 -0.583 1.00 0.46 H new ATOM 889 N ASP A 64 -16.605 8.427 0.165 1.00 0.41 N ATOM 890 CA ASP A 64 -16.895 9.835 -0.111 1.00 0.45 C ATOM 891 C ASP A 64 -15.683 10.717 0.189 1.00 0.45 C ATOM 892 O ASP A 64 -14.614 10.211 0.516 1.00 0.42 O ATOM 893 CB ASP A 64 -18.116 10.297 0.701 1.00 0.49 C ATOM 894 CG ASP A 64 -18.024 9.925 2.168 1.00 0.49 C ATOM 895 OD1 ASP A 64 -17.102 10.405 2.853 1.00 0.49 O ATOM 896 OD2 ASP A 64 -18.883 9.143 2.639 1.00 0.52 O ATOM 0 H ASP A 64 -16.672 8.171 1.150 1.00 0.41 H new ATOM 0 HA ASP A 64 -17.124 9.933 -1.172 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -18.218 11.379 0.611 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -19.017 9.856 0.275 1.00 0.49 H new ATOM 901 N PHE A 65 -15.848 12.036 0.079 1.00 0.51 N ATOM 902 CA PHE A 65 -14.744 12.969 0.326 1.00 0.54 C ATOM 903 C PHE A 65 -14.328 13.014 1.809 1.00 0.54 C ATOM 904 O PHE A 65 -13.132 12.956 2.102 1.00 0.54 O ATOM 905 CB PHE A 65 -15.073 14.380 -0.191 1.00 0.61 C ATOM 906 CG PHE A 65 -13.872 15.292 -0.225 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.750 14.956 -0.969 1.00 0.83 C ATOM 908 CD2 PHE A 65 -13.862 16.479 0.494 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.644 15.784 -0.994 1.00 1.04 C ATOM 910 CE2 PHE A 65 -12.757 17.308 0.473 1.00 1.15 C ATOM 911 CZ PHE A 65 -11.646 16.961 -0.273 1.00 1.15 C ATOM 0 H PHE A 65 -16.729 12.482 -0.178 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.890 12.589 -0.235 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.493 14.304 -1.194 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -15.841 14.823 0.443 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.741 14.036 -1.535 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -14.728 16.758 1.076 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -10.778 15.510 -1.578 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -12.761 18.227 1.040 1.00 1.15 H new ATOM 0 HZ PHE A 65 -10.782 17.609 -0.292 1.00 1.15 H new ATOM 921 N PRO A 66 -15.274 13.143 2.775 1.00 0.55 N ATOM 922 CA PRO A 66 -14.929 13.167 4.205 1.00 0.56 C ATOM 923 C PRO A 66 -14.111 11.954 4.618 1.00 0.50 C ATOM 924 O PRO A 66 -13.116 12.073 5.339 1.00 0.52 O ATOM 925 CB PRO A 66 -16.287 13.150 4.904 1.00 0.59 C ATOM 926 CG PRO A 66 -17.217 13.760 3.922 1.00 0.63 C ATOM 927 CD PRO A 66 -16.734 13.302 2.575 1.00 0.58 C ATOM 0 HA PRO A 66 -14.316 14.032 4.459 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.589 12.134 5.159 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.262 13.719 5.834 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -18.243 13.439 4.101 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -17.206 14.848 3.994 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -17.204 12.365 2.276 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -16.957 14.033 1.797 1.00 0.58 H new ATOM 935 N GLU A 67 -14.515 10.785 4.147 1.00 0.46 N ATOM 936 CA GLU A 67 -13.813 9.558 4.464 1.00 0.43 C ATOM 937 C GLU A 67 -12.496 9.500 3.714 1.00 0.43 C ATOM 938 O GLU A 67 -11.542 8.897 4.183 1.00 0.44 O ATOM 939 CB GLU A 67 -14.677 8.354 4.114 1.00 0.41 C ATOM 940 CG GLU A 67 -15.840 8.167 5.072 1.00 0.43 C ATOM 941 CD GLU A 67 -16.973 7.383 4.462 1.00 0.43 C ATOM 942 OE1 GLU A 67 -16.925 7.069 3.257 1.00 0.39 O ATOM 943 OE2 GLU A 67 -17.946 7.076 5.175 1.00 0.51 O ATOM 0 H GLU A 67 -15.328 10.663 3.543 1.00 0.46 H new ATOM 0 HA GLU A 67 -13.605 9.538 5.534 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -15.062 8.471 3.101 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -14.060 7.456 4.119 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.489 7.654 5.968 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.207 9.144 5.387 1.00 0.43 H new ATOM 950 N PHE A 68 -12.443 10.178 2.571 1.00 0.44 N ATOM 951 CA PHE A 68 -11.242 10.216 1.746 1.00 0.46 C ATOM 952 C PHE A 68 -10.098 10.882 2.500 1.00 0.48 C ATOM 953 O PHE A 68 -8.962 10.406 2.477 1.00 0.48 O ATOM 954 CB PHE A 68 -11.510 10.971 0.437 1.00 0.50 C ATOM 955 CG PHE A 68 -10.539 10.623 -0.653 1.00 0.73 C ATOM 956 CD1 PHE A 68 -10.729 9.488 -1.421 1.00 0.94 C ATOM 957 CD2 PHE A 68 -9.428 11.416 -0.892 1.00 1.02 C ATOM 958 CE1 PHE A 68 -9.829 9.152 -2.412 1.00 1.29 C ATOM 959 CE2 PHE A 68 -8.523 11.084 -1.884 1.00 1.34 C ATOM 960 CZ PHE A 68 -8.724 9.949 -2.644 1.00 1.44 C ATOM 0 H PHE A 68 -13.226 10.712 2.194 1.00 0.44 H new ATOM 0 HA PHE A 68 -10.961 9.190 1.510 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.522 10.750 0.098 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -11.464 12.043 0.627 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -11.589 8.859 -1.244 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -9.267 12.303 -0.297 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -9.988 8.265 -3.007 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.662 11.711 -2.063 1.00 1.34 H new ATOM 0 HZ PHE A 68 -8.019 9.684 -3.418 1.00 1.44 H new ATOM 970 N LEU A 69 -10.413 11.979 3.167 1.00 0.52 N ATOM 971 CA LEU A 69 -9.426 12.724 3.934 1.00 0.56 C ATOM 972 C LEU A 69 -8.955 11.894 5.124 1.00 0.51 C ATOM 973 O LEU A 69 -7.758 11.745 5.355 1.00 0.50 O ATOM 974 CB LEU A 69 -10.022 14.058 4.407 1.00 0.66 C ATOM 975 CG LEU A 69 -10.523 14.986 3.288 1.00 0.75 C ATOM 976 CD1 LEU A 69 -11.178 16.233 3.867 1.00 0.89 C ATOM 977 CD2 LEU A 69 -9.380 15.379 2.361 1.00 0.82 C ATOM 0 H LEU A 69 -11.352 12.377 3.193 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.567 12.937 3.298 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -10.852 13.848 5.081 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.267 14.589 4.987 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.269 14.439 2.711 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -11.524 16.873 3.055 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -12.026 15.944 4.487 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -10.453 16.776 4.474 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -9.757 16.036 1.577 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -8.611 15.900 2.932 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -8.953 14.483 1.910 1.00 0.82 H new ATOM 989 N THR A 70 -9.906 11.346 5.866 1.00 0.52 N ATOM 990 CA THR A 70 -9.603 10.515 7.028 1.00 0.54 C ATOM 991 C THR A 70 -8.822 9.265 6.610 1.00 0.47 C ATOM 992 O THR A 70 -7.835 8.892 7.250 1.00 0.53 O ATOM 993 CB THR A 70 -10.898 10.107 7.747 1.00 0.62 C ATOM 994 OG1 THR A 70 -11.829 11.197 7.712 1.00 0.63 O ATOM 995 CG2 THR A 70 -10.620 9.719 9.191 1.00 0.74 C ATOM 0 H THR A 70 -10.903 11.462 5.684 1.00 0.52 H new ATOM 0 HA THR A 70 -8.987 11.099 7.712 1.00 0.54 H new ATOM 0 HB THR A 70 -11.320 9.243 7.234 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.266 11.226 6.835 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.553 9.434 9.677 1.00 0.74 H new ATOM 0 HG22 THR A 70 -9.927 8.878 9.215 1.00 0.74 H new ATOM 0 HG23 THR A 70 -10.180 10.566 9.717 1.00 0.74 H new ATOM 1003 N MET A 71 -9.270 8.630 5.528 1.00 0.42 N ATOM 1004 CA MET A 71 -8.615 7.443 4.983 1.00 0.43 C ATOM 1005 C MET A 71 -7.149 7.743 4.664 1.00 0.39 C ATOM 1006 O MET A 71 -6.263 6.911 4.862 1.00 0.41 O ATOM 1007 CB MET A 71 -9.319 6.984 3.706 1.00 0.51 C ATOM 1008 CG MET A 71 -8.457 6.099 2.829 1.00 0.71 C ATOM 1009 SD MET A 71 -9.173 5.785 1.210 1.00 0.69 S ATOM 1010 CE MET A 71 -8.447 7.131 0.276 1.00 0.68 C ATOM 0 H MET A 71 -10.096 8.923 5.006 1.00 0.42 H new ATOM 0 HA MET A 71 -8.670 6.653 5.732 1.00 0.43 H new ATOM 0 HB2 MET A 71 -10.227 6.443 3.974 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.627 7.860 3.135 1.00 0.51 H new ATOM 0 HG2 MET A 71 -7.481 6.566 2.702 1.00 0.71 H new ATOM 0 HG3 MET A 71 -8.292 5.148 3.336 1.00 0.71 H new ATOM 0 HE1 MET A 71 -9.064 7.342 -0.597 1.00 0.68 H new ATOM 0 HE2 MET A 71 -8.390 8.020 0.904 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.445 6.850 -0.048 1.00 0.68 H new ATOM 1020 N MET A 72 -6.914 8.949 4.187 1.00 0.38 N ATOM 1021 CA MET A 72 -5.570 9.372 3.837 1.00 0.40 C ATOM 1022 C MET A 72 -4.749 9.605 5.104 1.00 0.42 C ATOM 1023 O MET A 72 -3.583 9.224 5.179 1.00 0.45 O ATOM 1024 CB MET A 72 -5.603 10.628 2.971 1.00 0.43 C ATOM 1025 CG MET A 72 -4.238 11.022 2.436 1.00 0.58 C ATOM 1026 SD MET A 72 -4.244 12.633 1.630 1.00 1.18 S ATOM 1027 CE MET A 72 -5.622 12.458 0.496 1.00 1.69 C ATOM 0 H MET A 72 -7.635 9.654 4.032 1.00 0.38 H new ATOM 0 HA MET A 72 -5.096 8.581 3.256 1.00 0.40 H new ATOM 0 HB2 MET A 72 -6.281 10.466 2.133 1.00 0.43 H new ATOM 0 HB3 MET A 72 -6.009 11.454 3.555 1.00 0.43 H new ATOM 0 HG2 MET A 72 -3.521 11.034 3.257 1.00 0.58 H new ATOM 0 HG3 MET A 72 -3.899 10.267 1.727 1.00 0.58 H new ATOM 0 HE1 MET A 72 -5.595 13.265 -0.236 1.00 1.69 H new ATOM 0 HE2 MET A 72 -5.551 11.499 -0.018 1.00 1.69 H new ATOM 0 HE3 MET A 72 -6.559 12.503 1.052 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.373 10.221 6.106 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.707 10.501 7.379 1.00 0.53 C ATOM 1039 C ALA A 73 -4.346 9.214 8.113 1.00 0.51 C ATOM 1040 O ALA A 73 -3.301 9.128 8.755 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.587 11.375 8.263 1.00 0.63 C ATOM 0 H ALA A 73 -6.342 10.537 6.062 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.784 11.036 7.156 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -5.075 11.572 9.205 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.790 12.318 7.756 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.527 10.861 8.462 1.00 0.63 H new ATOM 1047 N ARG A 74 -5.233 8.225 8.038 1.00 0.49 N ATOM 1048 CA ARG A 74 -5.019 6.935 8.686 1.00 0.53 C ATOM 1049 C ARG A 74 -3.842 6.158 8.077 1.00 0.53 C ATOM 1050 O ARG A 74 -3.453 5.118 8.604 1.00 0.81 O ATOM 1051 CB ARG A 74 -6.282 6.074 8.601 1.00 0.59 C ATOM 1052 CG ARG A 74 -6.354 4.979 9.658 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.798 3.659 9.053 1.00 1.02 C ATOM 1054 NE ARG A 74 -8.200 3.695 8.628 1.00 0.96 N ATOM 1055 CZ ARG A 74 -8.789 2.732 7.917 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -8.117 1.643 7.568 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -10.061 2.856 7.558 1.00 1.44 N ATOM 0 H ARG A 74 -6.115 8.295 7.530 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.780 7.149 9.728 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -7.156 6.718 8.699 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -6.332 5.616 7.613 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -5.377 4.857 10.126 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -7.049 5.274 10.444 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -6.166 3.421 8.198 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.661 2.861 9.783 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.760 4.506 8.892 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -7.141 1.536 7.843 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -8.577 0.912 7.024 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.588 3.687 7.826 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -10.512 2.120 7.014 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.288 6.652 6.972 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.168 5.971 6.334 1.00 0.47 C ATOM 1073 C LYS A 75 -0.956 6.883 6.172 1.00 0.56 C ATOM 1074 O LYS A 75 0.185 6.416 6.191 1.00 0.78 O ATOM 1075 CB LYS A 75 -2.581 5.388 4.982 1.00 0.52 C ATOM 1076 CG LYS A 75 -1.936 4.044 4.711 1.00 0.72 C ATOM 1077 CD LYS A 75 -2.496 2.962 5.620 1.00 0.79 C ATOM 1078 CE LYS A 75 -3.925 2.624 5.245 1.00 0.86 C ATOM 1079 NZ LYS A 75 -4.271 1.227 5.595 1.00 0.83 N ATOM 0 H LYS A 75 -3.591 7.508 6.507 1.00 0.42 H new ATOM 0 HA LYS A 75 -1.877 5.154 6.994 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -3.665 5.280 4.952 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.308 6.085 4.190 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -2.098 3.765 3.670 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -0.858 4.121 4.857 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -1.877 2.068 5.551 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -2.458 3.297 6.657 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -4.605 3.306 5.756 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.065 2.776 4.175 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -5.098 0.925 5.042 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -3.465 0.606 5.380 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -4.493 1.168 6.609 1.00 0.83 H new ATOM 1093 N MET A 76 -1.206 8.177 6.014 1.00 0.58 N ATOM 1094 CA MET A 76 -0.139 9.167 5.865 1.00 0.72 C ATOM 1095 C MET A 76 0.836 9.086 7.038 1.00 0.71 C ATOM 1096 O MET A 76 2.035 9.317 6.886 1.00 0.80 O ATOM 1097 CB MET A 76 -0.759 10.564 5.787 1.00 0.92 C ATOM 1098 CG MET A 76 0.225 11.693 5.533 1.00 1.20 C ATOM 1099 SD MET A 76 -0.284 13.228 6.337 1.00 1.55 S ATOM 1100 CE MET A 76 -2.014 13.310 5.862 1.00 1.68 C ATOM 0 H MET A 76 -2.146 8.571 5.985 1.00 0.58 H new ATOM 0 HA MET A 76 0.416 8.962 4.949 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.506 10.569 4.994 1.00 0.92 H new ATOM 0 HB3 MET A 76 -1.284 10.764 6.721 1.00 0.92 H new ATOM 0 HG2 MET A 76 1.211 11.403 5.896 1.00 1.20 H new ATOM 0 HG3 MET A 76 0.317 11.859 4.460 1.00 1.20 H new ATOM 0 HE1 MET A 76 -2.309 14.352 5.742 1.00 1.68 H new ATOM 0 HE2 MET A 76 -2.158 12.781 4.920 1.00 1.68 H new ATOM 0 HE3 MET A 76 -2.626 12.846 6.636 1.00 1.68 H new ATOM 1110 N LYS A 77 0.310 8.743 8.205 1.00 0.72 N ATOM 1111 CA LYS A 77 1.121 8.619 9.403 1.00 0.86 C ATOM 1112 C LYS A 77 0.771 7.343 10.151 1.00 0.77 C ATOM 1113 O LYS A 77 0.824 7.306 11.380 1.00 0.85 O ATOM 1114 CB LYS A 77 0.913 9.830 10.314 1.00 1.11 C ATOM 1115 CG LYS A 77 1.490 11.116 9.752 1.00 1.32 C ATOM 1116 CD LYS A 77 0.830 12.335 10.363 1.00 1.47 C ATOM 1117 CE LYS A 77 -0.500 12.649 9.697 1.00 1.65 C ATOM 1118 NZ LYS A 77 -1.044 13.952 10.157 1.00 1.95 N ATOM 0 H LYS A 77 -0.681 8.545 8.346 1.00 0.72 H new ATOM 0 HA LYS A 77 2.169 8.576 9.105 1.00 0.86 H new ATOM 0 HB2 LYS A 77 -0.155 9.965 10.487 1.00 1.11 H new ATOM 0 HB3 LYS A 77 1.370 9.629 11.283 1.00 1.11 H new ATOM 0 HG2 LYS A 77 2.563 11.148 9.942 1.00 1.32 H new ATOM 0 HG3 LYS A 77 1.357 11.133 8.670 1.00 1.32 H new ATOM 0 HD2 LYS A 77 0.673 12.168 11.429 1.00 1.47 H new ATOM 0 HD3 LYS A 77 1.495 13.194 10.270 1.00 1.47 H new ATOM 0 HE2 LYS A 77 -0.371 12.669 8.615 1.00 1.65 H new ATOM 0 HE3 LYS A 77 -1.215 11.856 9.918 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 -1.952 14.136 9.684 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -1.190 13.923 11.186 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -0.372 14.711 9.924 1.00 1.95 H new ATOM 1132 N ASP A 78 0.399 6.305 9.407 1.00 0.83 N ATOM 1133 CA ASP A 78 0.050 5.031 10.023 1.00 0.83 C ATOM 1134 C ASP A 78 1.283 4.392 10.635 1.00 0.81 C ATOM 1135 O ASP A 78 2.179 3.931 9.924 1.00 1.06 O ATOM 1136 CB ASP A 78 -0.586 4.061 9.028 1.00 1.15 C ATOM 1137 CG ASP A 78 -0.689 2.659 9.611 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -1.249 2.514 10.719 1.00 1.18 O ATOM 1139 OD2 ASP A 78 -0.181 1.705 8.982 1.00 1.41 O ATOM 0 H ASP A 78 0.332 6.321 8.389 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.686 5.241 10.799 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -1.579 4.417 8.754 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.007 4.034 8.114 1.00 1.15 H new ATOM 1144 N THR A 79 1.342 4.397 11.952 1.00 0.72 N ATOM 1145 CA THR A 79 2.466 3.824 12.658 1.00 0.95 C ATOM 1146 C THR A 79 1.985 2.875 13.754 1.00 0.92 C ATOM 1147 O THR A 79 2.760 2.432 14.603 1.00 1.10 O ATOM 1148 CB THR A 79 3.352 4.938 13.244 1.00 1.28 C ATOM 1149 OG1 THR A 79 2.532 5.917 13.907 1.00 1.45 O ATOM 1150 CG2 THR A 79 4.154 5.606 12.131 1.00 1.43 C ATOM 0 H THR A 79 0.621 4.793 12.555 1.00 0.72 H new ATOM 0 HA THR A 79 3.064 3.247 11.952 1.00 0.95 H new ATOM 0 HB THR A 79 4.041 4.500 13.966 1.00 1.28 H new ATOM 0 HG1 THR A 79 3.101 6.623 14.279 1.00 1.45 H new ATOM 0 HG21 THR A 79 4.778 6.393 12.554 1.00 1.43 H new ATOM 0 HG22 THR A 79 4.786 4.864 11.643 1.00 1.43 H new ATOM 0 HG23 THR A 79 3.471 6.038 11.400 1.00 1.43 H new ATOM 1158 N ASP A 80 0.695 2.555 13.706 1.00 0.79 N ATOM 1159 CA ASP A 80 0.069 1.652 14.666 1.00 0.83 C ATOM 1160 C ASP A 80 -0.835 0.693 13.903 1.00 0.80 C ATOM 1161 O ASP A 80 -1.899 0.295 14.379 1.00 1.18 O ATOM 1162 CB ASP A 80 -0.740 2.437 15.714 1.00 1.03 C ATOM 1163 CG ASP A 80 0.137 3.206 16.684 1.00 1.39 C ATOM 1164 OD1 ASP A 80 0.603 2.600 17.674 1.00 1.78 O ATOM 1165 OD2 ASP A 80 0.362 4.419 16.464 1.00 1.69 O ATOM 0 H ASP A 80 0.054 2.915 12.999 1.00 0.79 H new ATOM 0 HA ASP A 80 0.839 1.095 15.200 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -1.406 3.133 15.204 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -1.370 1.744 16.272 1.00 1.03 H new ATOM 1170 N SER A 81 -0.354 0.328 12.721 1.00 0.74 N ATOM 1171 CA SER A 81 -1.040 -0.550 11.780 1.00 0.82 C ATOM 1172 C SER A 81 -1.826 -1.682 12.436 1.00 0.75 C ATOM 1173 O SER A 81 -1.250 -2.612 12.998 1.00 0.89 O ATOM 1174 CB SER A 81 -0.003 -1.132 10.823 1.00 1.10 C ATOM 1175 OG SER A 81 1.028 -0.189 10.573 1.00 1.10 O ATOM 0 H SER A 81 0.553 0.645 12.380 1.00 0.74 H new ATOM 0 HA SER A 81 -1.780 0.057 11.258 1.00 0.82 H new ATOM 0 HB2 SER A 81 0.423 -2.041 11.248 1.00 1.10 H new ATOM 0 HB3 SER A 81 -0.482 -1.413 9.885 1.00 1.10 H new ATOM 0 HG SER A 81 0.682 0.531 10.004 1.00 1.10 H new ATOM 1181 N GLU A 82 -3.144 -1.578 12.357 1.00 0.69 N ATOM 1182 CA GLU A 82 -4.032 -2.595 12.887 1.00 0.76 C ATOM 1183 C GLU A 82 -4.180 -3.687 11.837 1.00 0.64 C ATOM 1184 O GLU A 82 -3.686 -4.806 11.991 1.00 0.78 O ATOM 1185 CB GLU A 82 -5.393 -1.975 13.225 1.00 0.90 C ATOM 1186 CG GLU A 82 -6.277 -2.870 14.077 1.00 1.13 C ATOM 1187 CD GLU A 82 -5.567 -3.353 15.327 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -5.046 -2.501 16.081 1.00 1.86 O ATOM 1189 OE2 GLU A 82 -5.520 -4.580 15.559 1.00 1.72 O ATOM 0 H GLU A 82 -3.624 -0.789 11.925 1.00 0.69 H new ATOM 0 HA GLU A 82 -3.623 -3.021 13.803 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -5.233 -1.033 13.749 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.916 -1.740 12.298 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.177 -2.325 14.360 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -6.597 -3.729 13.488 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.854 -3.335 10.755 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.054 -4.233 9.630 1.00 0.52 C ATOM 1198 C GLU A 83 -4.432 -3.597 8.393 1.00 0.45 C ATOM 1199 O GLU A 83 -4.389 -4.182 7.315 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.541 -4.510 9.394 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.157 -5.500 10.373 1.00 1.37 C ATOM 1202 CD GLU A 83 -8.495 -6.014 9.879 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -8.520 -6.810 8.914 1.00 2.70 O ATOM 1204 OE2 GLU A 83 -9.532 -5.612 10.442 1.00 2.40 O ATOM 0 H GLU A 83 -5.279 -2.416 10.632 1.00 0.53 H new ATOM 0 HA GLU A 83 -4.578 -5.190 9.845 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -7.088 -3.569 9.454 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -6.671 -4.890 8.381 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.476 -6.338 10.520 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -7.286 -5.020 11.343 1.00 1.37 H new ATOM 1211 N GLU A 84 -3.962 -2.361 8.580 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.361 -1.552 7.514 1.00 0.46 C ATOM 1213 C GLU A 84 -2.276 -2.305 6.748 1.00 0.41 C ATOM 1214 O GLU A 84 -2.302 -2.359 5.521 1.00 0.46 O ATOM 1215 CB GLU A 84 -2.759 -0.267 8.098 1.00 0.56 C ATOM 1216 CG GLU A 84 -3.617 0.403 9.164 1.00 0.70 C ATOM 1217 CD GLU A 84 -5.098 0.345 8.859 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -5.541 1.020 7.903 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -5.815 -0.386 9.574 1.00 1.26 O ATOM 0 H GLU A 84 -3.988 -1.888 9.484 1.00 0.44 H new ATOM 0 HA GLU A 84 -4.162 -1.313 6.814 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -1.784 -0.499 8.527 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -2.590 0.441 7.287 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -3.431 -0.076 10.125 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -3.313 1.445 9.264 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.331 -2.886 7.473 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.246 -3.636 6.847 1.00 0.42 C ATOM 1228 C ILE A 85 -0.793 -4.817 6.059 1.00 0.40 C ATOM 1229 O ILE A 85 -0.245 -5.194 5.028 1.00 0.41 O ATOM 1230 CB ILE A 85 0.767 -4.177 7.876 1.00 0.53 C ATOM 1231 CG1 ILE A 85 0.051 -4.568 9.173 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.869 -3.157 8.133 1.00 1.38 C ATOM 1233 CD1 ILE A 85 0.942 -5.244 10.189 1.00 1.50 C ATOM 0 H ILE A 85 -1.291 -2.854 8.492 1.00 0.38 H new ATOM 0 HA ILE A 85 0.264 -2.935 6.186 1.00 0.42 H new ATOM 0 HB ILE A 85 1.236 -5.073 7.469 1.00 0.53 H new ATOM 0 HG12 ILE A 85 -0.380 -3.673 9.622 1.00 1.17 H new ATOM 0 HG13 ILE A 85 -0.777 -5.234 8.932 1.00 1.17 H new ATOM 0 HG21 ILE A 85 2.573 -3.558 8.862 1.00 1.38 H new ATOM 0 HG22 ILE A 85 2.393 -2.945 7.201 1.00 1.38 H new ATOM 0 HG23 ILE A 85 1.430 -2.237 8.520 1.00 1.38 H new ATOM 0 HD11 ILE A 85 0.360 -5.489 11.078 1.00 1.50 H new ATOM 0 HD12 ILE A 85 1.353 -6.158 9.761 1.00 1.50 H new ATOM 0 HD13 ILE A 85 1.757 -4.573 10.462 1.00 1.50 H new ATOM 1245 N ARG A 86 -1.883 -5.390 6.552 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.499 -6.527 5.895 1.00 0.44 C ATOM 1247 C ARG A 86 -3.147 -6.083 4.595 1.00 0.42 C ATOM 1248 O ARG A 86 -2.974 -6.727 3.577 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.540 -7.176 6.794 1.00 0.50 C ATOM 1250 CG ARG A 86 -3.767 -8.644 6.480 1.00 0.89 C ATOM 1251 CD ARG A 86 -3.265 -9.536 7.603 1.00 1.26 C ATOM 1252 NE ARG A 86 -4.066 -9.388 8.818 1.00 1.63 N ATOM 1253 CZ ARG A 86 -3.558 -9.286 10.048 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -2.242 -9.285 10.238 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -4.375 -9.195 11.094 1.00 2.57 N ATOM 0 H ARG A 86 -2.355 -5.084 7.403 1.00 0.41 H new ATOM 0 HA ARG A 86 -1.722 -7.262 5.682 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.226 -7.077 7.833 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.483 -6.639 6.694 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.830 -8.823 6.319 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -3.256 -8.902 5.552 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -3.288 -10.576 7.278 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.225 -9.293 7.822 1.00 1.26 H new ATOM 0 HE ARG A 86 -5.081 -9.361 8.719 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -1.611 -9.363 9.440 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -1.863 -9.207 11.182 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -5.385 -9.203 10.954 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -3.991 -9.117 12.036 1.00 2.57 H new ATOM 1269 N GLU A 87 -3.921 -5.009 4.663 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.574 -4.446 3.491 1.00 0.44 C ATOM 1271 C GLU A 87 -3.559 -4.207 2.367 1.00 0.43 C ATOM 1272 O GLU A 87 -3.762 -4.671 1.248 1.00 0.45 O ATOM 1273 CB GLU A 87 -5.311 -3.154 3.879 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.351 -2.082 2.802 1.00 0.47 C ATOM 1275 CD GLU A 87 -4.718 -0.790 3.267 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -3.480 -0.739 3.402 1.00 1.47 O ATOM 1277 OE2 GLU A 87 -5.456 0.180 3.519 1.00 0.92 O ATOM 0 H GLU A 87 -4.113 -4.505 5.529 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.309 -5.156 3.113 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -6.335 -3.408 4.155 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -4.836 -2.737 4.767 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.832 -2.441 1.913 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.386 -1.896 2.514 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.458 -3.523 2.671 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.427 -3.253 1.677 1.00 0.40 C ATOM 1286 C ALA A 88 -0.747 -4.539 1.233 1.00 0.40 C ATOM 1287 O ALA A 88 -0.223 -4.622 0.125 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.409 -2.283 2.249 1.00 0.41 C ATOM 0 H ALA A 88 -2.259 -3.147 3.598 1.00 0.41 H new ATOM 0 HA ALA A 88 -1.896 -2.805 0.801 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.361 -2.082 1.504 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -0.906 -1.351 2.517 1.00 0.41 H new ATOM 0 HB3 ALA A 88 0.050 -2.718 3.137 1.00 0.41 H new ATOM 1294 N PHE A 89 -0.783 -5.551 2.089 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.172 -6.831 1.768 1.00 0.41 C ATOM 1296 C PHE A 89 -1.108 -7.651 0.908 1.00 0.43 C ATOM 1297 O PHE A 89 -0.679 -8.364 0.017 1.00 0.46 O ATOM 1298 CB PHE A 89 0.190 -7.593 3.045 1.00 0.42 C ATOM 1299 CG PHE A 89 1.532 -8.262 2.974 1.00 0.40 C ATOM 1300 CD1 PHE A 89 1.651 -9.532 2.438 1.00 0.63 C ATOM 1301 CD2 PHE A 89 2.669 -7.622 3.434 1.00 0.52 C ATOM 1302 CE1 PHE A 89 2.882 -10.153 2.358 1.00 0.75 C ATOM 1303 CE2 PHE A 89 3.905 -8.237 3.356 1.00 0.64 C ATOM 1304 CZ PHE A 89 4.010 -9.506 2.820 1.00 0.68 C ATOM 0 H PHE A 89 -1.227 -5.510 3.006 1.00 0.39 H new ATOM 0 HA PHE A 89 0.747 -6.648 1.211 1.00 0.41 H new ATOM 0 HB2 PHE A 89 0.180 -6.902 3.888 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.574 -8.345 3.240 1.00 0.42 H new ATOM 0 HD1 PHE A 89 0.771 -10.044 2.078 1.00 0.63 H new ATOM 0 HD2 PHE A 89 2.590 -6.632 3.858 1.00 0.52 H new ATOM 0 HE1 PHE A 89 2.962 -11.143 1.935 1.00 0.75 H new ATOM 0 HE2 PHE A 89 4.787 -7.726 3.713 1.00 0.64 H new ATOM 0 HZ PHE A 89 4.973 -9.991 2.763 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.406 -7.525 1.173 1.00 0.45 N ATOM 1315 CA ARG A 90 -3.427 -8.251 0.420 1.00 0.49 C ATOM 1316 C ARG A 90 -3.505 -7.724 -1.005 1.00 0.47 C ATOM 1317 O ARG A 90 -3.790 -8.466 -1.942 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.795 -8.108 1.103 1.00 0.57 C ATOM 1319 CG ARG A 90 -5.774 -9.220 0.751 1.00 1.06 C ATOM 1320 CD ARG A 90 -7.106 -9.063 1.468 1.00 1.28 C ATOM 1321 NE ARG A 90 -7.640 -10.361 1.885 1.00 1.54 N ATOM 1322 CZ ARG A 90 -7.944 -10.688 3.144 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -7.879 -9.781 4.116 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -8.334 -11.926 3.427 1.00 2.35 N ATOM 0 H ARG A 90 -2.778 -6.923 1.908 1.00 0.45 H new ATOM 0 HA ARG A 90 -3.153 -9.306 0.394 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.652 -8.091 2.183 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -5.232 -7.149 0.824 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -5.942 -9.226 -0.326 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -5.335 -10.183 1.011 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -6.979 -8.422 2.340 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -7.820 -8.568 0.810 1.00 1.28 H new ATOM 0 HE ARG A 90 -7.791 -11.066 1.163 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -7.595 -8.825 3.903 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -8.113 -10.042 5.074 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -8.400 -12.622 2.684 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -8.567 -12.180 4.387 1.00 2.35 H new ATOM 1338 N VAL A 91 -3.265 -6.431 -1.148 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.294 -5.797 -2.454 1.00 0.43 C ATOM 1340 C VAL A 91 -1.996 -6.084 -3.207 1.00 0.41 C ATOM 1341 O VAL A 91 -1.997 -6.267 -4.420 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.519 -4.273 -2.321 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.491 -3.576 -3.675 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.839 -4.009 -1.622 1.00 0.46 C ATOM 0 H VAL A 91 -3.048 -5.801 -0.376 1.00 0.43 H new ATOM 0 HA VAL A 91 -4.127 -6.213 -3.021 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.702 -3.864 -1.726 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.653 -2.507 -3.537 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.522 -3.738 -4.148 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -4.278 -3.983 -4.310 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -4.994 -2.934 -1.530 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.652 -4.444 -2.203 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.821 -4.459 -0.629 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.893 -6.149 -2.470 1.00 0.42 N ATOM 1355 CA PHE A 92 0.411 -6.412 -3.066 1.00 0.42 C ATOM 1356 C PHE A 92 0.621 -7.899 -3.357 1.00 0.43 C ATOM 1357 O PHE A 92 1.147 -8.265 -4.409 1.00 0.47 O ATOM 1358 CB PHE A 92 1.524 -5.897 -2.151 1.00 0.43 C ATOM 1359 CG PHE A 92 1.893 -4.447 -2.354 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.184 -3.632 -3.234 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.960 -3.900 -1.658 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.542 -2.306 -3.413 1.00 0.42 C ATOM 1363 CE2 PHE A 92 3.315 -2.577 -1.834 1.00 0.43 C ATOM 1364 CZ PHE A 92 2.609 -1.780 -2.712 1.00 0.40 C ATOM 0 H PHE A 92 -0.876 -6.023 -1.458 1.00 0.42 H new ATOM 0 HA PHE A 92 0.446 -5.882 -4.018 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.217 -6.037 -1.115 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.413 -6.508 -2.305 1.00 0.43 H new ATOM 0 HD1 PHE A 92 0.347 -4.038 -3.782 1.00 0.42 H new ATOM 0 HD2 PHE A 92 3.520 -4.516 -0.970 1.00 0.39 H new ATOM 0 HE1 PHE A 92 0.987 -1.684 -4.100 1.00 0.42 H new ATOM 0 HE2 PHE A 92 4.147 -2.165 -1.283 1.00 0.43 H new ATOM 0 HZ PHE A 92 2.891 -0.747 -2.851 1.00 0.40 H new ATOM 1374 N ASP A 93 0.223 -8.749 -2.424 1.00 0.44 N ATOM 1375 CA ASP A 93 0.372 -10.189 -2.579 1.00 0.47 C ATOM 1376 C ASP A 93 -0.860 -10.780 -3.251 1.00 0.52 C ATOM 1377 O ASP A 93 -1.865 -11.054 -2.600 1.00 0.80 O ATOM 1378 CB ASP A 93 0.598 -10.842 -1.212 1.00 0.50 C ATOM 1379 CG ASP A 93 1.512 -12.042 -1.286 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.676 -11.881 -1.692 1.00 0.54 O ATOM 1381 OD2 ASP A 93 1.080 -13.157 -0.942 1.00 0.80 O ATOM 0 H ASP A 93 -0.209 -8.465 -1.545 1.00 0.44 H new ATOM 0 HA ASP A 93 1.238 -10.387 -3.211 1.00 0.47 H new ATOM 0 HB2 ASP A 93 1.024 -10.107 -0.528 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.362 -11.146 -0.796 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.770 -10.980 -4.559 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.886 -11.514 -5.330 1.00 0.54 C ATOM 1388 C LYS A 94 -1.998 -13.037 -5.213 1.00 0.56 C ATOM 1389 O LYS A 94 -3.089 -13.593 -5.358 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.753 -11.111 -6.804 1.00 0.60 C ATOM 1391 CG LYS A 94 -2.865 -11.661 -7.681 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.498 -11.610 -9.153 1.00 1.06 C ATOM 1393 CE LYS A 94 -3.324 -12.594 -9.960 1.00 1.31 C ATOM 1394 NZ LYS A 94 -2.995 -14.009 -9.632 1.00 1.70 N ATOM 0 H LYS A 94 0.065 -10.780 -5.109 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.798 -11.086 -4.914 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.747 -10.023 -6.877 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -0.793 -11.461 -7.184 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -3.078 -12.691 -7.395 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.777 -11.088 -7.514 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.655 -10.601 -9.535 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -1.439 -11.836 -9.274 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -4.383 -12.416 -9.772 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -3.155 -12.421 -11.023 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -3.293 -14.625 -10.415 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -1.969 -14.103 -9.489 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -3.493 -14.289 -8.763 1.00 1.70 H new ATOM 1408 N ASP A 95 -0.885 -13.718 -4.957 1.00 0.55 N ATOM 1409 CA ASP A 95 -0.918 -15.177 -4.844 1.00 0.59 C ATOM 1410 C ASP A 95 -1.401 -15.612 -3.464 1.00 0.60 C ATOM 1411 O ASP A 95 -1.792 -16.764 -3.270 1.00 0.67 O ATOM 1412 CB ASP A 95 0.445 -15.812 -5.155 1.00 0.59 C ATOM 1413 CG ASP A 95 1.580 -15.285 -4.298 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.356 -14.918 -3.136 1.00 0.62 O ATOM 1415 OD2 ASP A 95 2.725 -15.215 -4.785 1.00 0.58 O ATOM 0 H ASP A 95 0.034 -13.296 -4.826 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.627 -15.533 -5.591 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.371 -16.891 -5.019 1.00 0.59 H new ATOM 0 HB3 ASP A 95 0.684 -15.638 -6.204 1.00 0.59 H new ATOM 1420 N GLY A 96 -1.363 -14.692 -2.512 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.821 -14.989 -1.170 1.00 0.61 C ATOM 1422 C GLY A 96 -0.887 -15.909 -0.398 1.00 0.61 C ATOM 1423 O GLY A 96 -1.332 -16.633 0.493 1.00 0.72 O ATOM 0 H GLY A 96 -1.021 -13.740 -2.646 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.935 -14.055 -0.619 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.807 -15.449 -1.225 1.00 0.61 H new ATOM 1427 N ASN A 97 0.402 -15.891 -0.725 1.00 0.61 N ATOM 1428 CA ASN A 97 1.367 -16.752 -0.040 1.00 0.62 C ATOM 1429 C ASN A 97 2.027 -16.043 1.145 1.00 0.60 C ATOM 1430 O ASN A 97 2.583 -16.693 2.029 1.00 0.66 O ATOM 1431 CB ASN A 97 2.430 -17.285 -1.011 1.00 0.62 C ATOM 1432 CG ASN A 97 3.625 -16.366 -1.190 1.00 0.55 C ATOM 1433 OD1 ASN A 97 3.485 -15.158 -1.389 1.00 0.58 O ATOM 1434 ND2 ASN A 97 4.809 -16.939 -1.127 1.00 0.72 N ATOM 0 H ASN A 97 0.802 -15.297 -1.452 1.00 0.61 H new ATOM 0 HA ASN A 97 0.808 -17.601 0.353 1.00 0.62 H new ATOM 0 HB2 ASN A 97 2.781 -18.253 -0.653 1.00 0.62 H new ATOM 0 HB3 ASN A 97 1.966 -17.454 -1.983 1.00 0.62 H new ATOM 0 HD21 ASN A 97 5.653 -16.379 -1.245 1.00 0.72 H new ATOM 0 HD22 ASN A 97 4.882 -17.943 -0.960 1.00 0.72 H new ATOM 1441 N GLY A 98 1.975 -14.716 1.162 1.00 0.55 N ATOM 1442 CA GLY A 98 2.561 -13.968 2.265 1.00 0.56 C ATOM 1443 C GLY A 98 3.945 -13.422 1.949 1.00 0.53 C ATOM 1444 O GLY A 98 4.602 -12.844 2.814 1.00 0.58 O ATOM 0 H GLY A 98 1.541 -14.145 0.437 1.00 0.55 H new ATOM 0 HA2 GLY A 98 1.901 -13.140 2.525 1.00 0.56 H new ATOM 0 HA3 GLY A 98 2.623 -14.614 3.141 1.00 0.56 H new ATOM 1448 N TYR A 99 4.386 -13.614 0.717 1.00 0.53 N ATOM 1449 CA TYR A 99 5.691 -13.138 0.268 1.00 0.50 C ATOM 1450 C TYR A 99 5.549 -12.443 -1.078 1.00 0.50 C ATOM 1451 O TYR A 99 5.298 -13.108 -2.091 1.00 0.54 O ATOM 1452 CB TYR A 99 6.680 -14.303 0.123 1.00 0.52 C ATOM 1453 CG TYR A 99 6.929 -15.080 1.393 1.00 0.70 C ATOM 1454 CD1 TYR A 99 6.074 -16.102 1.799 1.00 0.92 C ATOM 1455 CD2 TYR A 99 8.033 -14.800 2.183 1.00 0.91 C ATOM 1456 CE1 TYR A 99 6.317 -16.816 2.955 1.00 1.19 C ATOM 1457 CE2 TYR A 99 8.281 -15.507 3.342 1.00 1.17 C ATOM 1458 CZ TYR A 99 7.422 -16.512 3.721 1.00 1.26 C ATOM 1459 OH TYR A 99 7.674 -17.219 4.870 1.00 1.57 O ATOM 0 H TYR A 99 3.853 -14.103 -0.002 1.00 0.53 H new ATOM 0 HA TYR A 99 6.072 -12.440 1.014 1.00 0.50 H new ATOM 0 HB2 TYR A 99 6.305 -14.987 -0.638 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.630 -13.912 -0.240 1.00 0.52 H new ATOM 0 HD1 TYR A 99 5.207 -16.339 1.200 1.00 0.92 H new ATOM 0 HD2 TYR A 99 8.712 -14.014 1.886 1.00 0.91 H new ATOM 0 HE1 TYR A 99 5.646 -17.607 3.257 1.00 1.19 H new ATOM 0 HE2 TYR A 99 9.144 -15.273 3.947 1.00 1.17 H new ATOM 0 HH TYR A 99 8.491 -16.879 5.290 1.00 1.57 H new ATOM 1469 N ILE A 100 5.678 -11.121 -1.100 1.00 0.49 N ATOM 1470 CA ILE A 100 5.562 -10.378 -2.353 1.00 0.52 C ATOM 1471 C ILE A 100 6.785 -10.646 -3.217 1.00 0.61 C ATOM 1472 O ILE A 100 7.904 -10.330 -2.824 1.00 0.64 O ATOM 1473 CB ILE A 100 5.434 -8.856 -2.129 1.00 0.55 C ATOM 1474 CG1 ILE A 100 4.383 -8.552 -1.053 1.00 0.58 C ATOM 1475 CG2 ILE A 100 5.077 -8.168 -3.442 1.00 0.60 C ATOM 1476 CD1 ILE A 100 4.448 -7.139 -0.512 1.00 0.69 C ATOM 0 H ILE A 100 5.861 -10.546 -0.277 1.00 0.49 H new ATOM 0 HA ILE A 100 4.653 -10.720 -2.847 1.00 0.52 H new ATOM 0 HB ILE A 100 6.392 -8.470 -1.780 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.391 -8.726 -1.469 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.509 -9.253 -0.228 1.00 0.58 H new ATOM 0 HG21 ILE A 100 4.988 -7.094 -3.278 1.00 0.60 H new ATOM 0 HG22 ILE A 100 5.859 -8.359 -4.177 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.129 -8.558 -3.811 1.00 0.60 H new ATOM 0 HD11 ILE A 100 3.674 -7.003 0.243 1.00 0.69 H new ATOM 0 HD12 ILE A 100 5.427 -6.965 -0.064 1.00 0.69 H new ATOM 0 HD13 ILE A 100 4.290 -6.430 -1.325 1.00 0.69 H new ATOM 1488 N SER A 101 6.581 -11.236 -4.383 1.00 0.84 N ATOM 1489 CA SER A 101 7.691 -11.550 -5.268 1.00 1.02 C ATOM 1490 C SER A 101 7.758 -10.593 -6.458 1.00 0.95 C ATOM 1491 O SER A 101 6.862 -9.765 -6.663 1.00 0.85 O ATOM 1492 CB SER A 101 7.557 -12.983 -5.783 1.00 1.14 C ATOM 1493 OG SER A 101 6.927 -13.820 -4.825 1.00 1.12 O ATOM 0 H SER A 101 5.663 -11.506 -4.737 1.00 0.84 H new ATOM 0 HA SER A 101 8.610 -11.441 -4.691 1.00 1.02 H new ATOM 0 HB2 SER A 101 6.980 -12.987 -6.708 1.00 1.14 H new ATOM 0 HB3 SER A 101 8.544 -13.379 -6.022 1.00 1.14 H new ATOM 0 HG SER A 101 7.609 -14.312 -4.322 1.00 1.12 H new ATOM 1499 N ALA A 102 8.838 -10.711 -7.228 1.00 1.01 N ATOM 1500 CA ALA A 102 9.042 -9.905 -8.428 1.00 0.98 C ATOM 1501 C ALA A 102 8.060 -10.341 -9.516 1.00 0.86 C ATOM 1502 O ALA A 102 8.427 -11.049 -10.449 1.00 1.30 O ATOM 1503 CB ALA A 102 10.470 -10.048 -8.929 1.00 1.09 C ATOM 0 H ALA A 102 9.595 -11.367 -7.037 1.00 1.01 H new ATOM 0 HA ALA A 102 8.865 -8.858 -8.182 1.00 0.98 H new ATOM 0 HB1 ALA A 102 10.604 -9.440 -9.824 1.00 1.09 H new ATOM 0 HB2 ALA A 102 11.162 -9.713 -8.156 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.669 -11.093 -9.167 1.00 1.09 H new ATOM 1509 N ALA A 103 6.823 -9.871 -9.386 1.00 0.56 N ATOM 1510 CA ALA A 103 5.748 -10.223 -10.315 1.00 0.66 C ATOM 1511 C ALA A 103 4.430 -9.646 -9.859 1.00 0.52 C ATOM 1512 O ALA A 103 3.706 -9.016 -10.635 1.00 0.57 O ATOM 1513 CB ALA A 103 5.610 -11.736 -10.443 1.00 0.93 C ATOM 0 H ALA A 103 6.536 -9.239 -8.639 1.00 0.56 H new ATOM 0 HA ALA A 103 6.009 -9.802 -11.286 1.00 0.66 H new ATOM 0 HB1 ALA A 103 4.804 -11.970 -11.139 1.00 0.93 H new ATOM 0 HB2 ALA A 103 6.544 -12.156 -10.815 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.382 -12.164 -9.467 1.00 0.93 H new ATOM 1519 N GLU A 104 4.129 -9.850 -8.591 1.00 0.45 N ATOM 1520 CA GLU A 104 2.882 -9.366 -8.017 1.00 0.42 C ATOM 1521 C GLU A 104 2.863 -7.853 -8.010 1.00 0.43 C ATOM 1522 O GLU A 104 1.886 -7.228 -8.424 1.00 0.46 O ATOM 1523 CB GLU A 104 2.713 -9.921 -6.608 1.00 0.51 C ATOM 1524 CG GLU A 104 2.749 -11.436 -6.584 1.00 0.49 C ATOM 1525 CD GLU A 104 2.883 -12.002 -5.195 1.00 0.60 C ATOM 1526 OE1 GLU A 104 4.026 -12.199 -4.728 1.00 0.78 O ATOM 1527 OE2 GLU A 104 1.856 -12.291 -4.558 1.00 0.83 O ATOM 0 H GLU A 104 4.730 -10.348 -7.935 1.00 0.45 H new ATOM 0 HA GLU A 104 2.047 -9.711 -8.626 1.00 0.42 H new ATOM 0 HB2 GLU A 104 3.503 -9.530 -5.968 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.766 -9.575 -6.194 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.838 -11.822 -7.041 1.00 0.49 H new ATOM 0 HG3 GLU A 104 3.583 -11.783 -7.193 1.00 0.49 H new ATOM 1534 N LEU A 105 3.979 -7.272 -7.595 1.00 0.43 N ATOM 1535 CA LEU A 105 4.108 -5.830 -7.550 1.00 0.47 C ATOM 1536 C LEU A 105 4.041 -5.282 -8.968 1.00 0.48 C ATOM 1537 O LEU A 105 3.484 -4.215 -9.207 1.00 0.50 O ATOM 1538 CB LEU A 105 5.425 -5.431 -6.875 1.00 0.50 C ATOM 1539 CG LEU A 105 5.501 -3.969 -6.439 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.577 -3.741 -5.258 1.00 0.61 C ATOM 1541 CD2 LEU A 105 6.931 -3.580 -6.088 1.00 0.63 C ATOM 0 H LEU A 105 4.807 -7.781 -7.285 1.00 0.43 H new ATOM 0 HA LEU A 105 3.292 -5.409 -6.963 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.576 -6.065 -6.001 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.246 -5.634 -7.562 1.00 0.50 H new ATOM 0 HG LEU A 105 5.180 -3.338 -7.268 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.633 -2.697 -4.949 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.553 -3.980 -5.546 1.00 0.61 H new ATOM 0 HD13 LEU A 105 4.880 -4.382 -4.430 1.00 0.61 H new ATOM 0 HD21 LEU A 105 6.959 -2.535 -5.781 1.00 0.63 H new ATOM 0 HD22 LEU A 105 7.289 -4.208 -5.272 1.00 0.63 H new ATOM 0 HD23 LEU A 105 7.570 -3.719 -6.960 1.00 0.63 H new ATOM 1553 N ARG A 106 4.596 -6.047 -9.906 1.00 0.49 N ATOM 1554 CA ARG A 106 4.600 -5.668 -11.318 1.00 0.52 C ATOM 1555 C ARG A 106 3.176 -5.459 -11.825 1.00 0.53 C ATOM 1556 O ARG A 106 2.865 -4.432 -12.429 1.00 0.59 O ATOM 1557 CB ARG A 106 5.280 -6.755 -12.159 1.00 0.56 C ATOM 1558 CG ARG A 106 6.766 -6.539 -12.394 1.00 0.82 C ATOM 1559 CD ARG A 106 7.338 -7.655 -13.261 1.00 0.84 C ATOM 1560 NE ARG A 106 8.707 -7.377 -13.693 1.00 0.72 N ATOM 1561 CZ ARG A 106 9.794 -7.944 -13.166 1.00 0.86 C ATOM 1562 NH1 ARG A 106 9.681 -8.925 -12.277 1.00 1.18 N ATOM 1563 NH2 ARG A 106 11.000 -7.564 -13.564 1.00 0.90 N ATOM 0 H ARG A 106 5.052 -6.939 -9.712 1.00 0.49 H new ATOM 0 HA ARG A 106 5.153 -4.734 -11.414 1.00 0.52 H new ATOM 0 HB2 ARG A 106 5.140 -7.717 -11.666 1.00 0.56 H new ATOM 0 HB3 ARG A 106 4.778 -6.815 -13.125 1.00 0.56 H new ATOM 0 HG2 ARG A 106 6.927 -5.576 -12.878 1.00 0.82 H new ATOM 0 HG3 ARG A 106 7.290 -6.508 -11.439 1.00 0.82 H new ATOM 0 HD2 ARG A 106 7.319 -8.591 -12.703 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.704 -7.793 -14.137 1.00 0.84 H new ATOM 0 HE ARG A 106 8.840 -6.704 -14.448 1.00 0.72 H new ATOM 0 HH11 ARG A 106 8.758 -9.251 -11.992 1.00 1.18 H new ATOM 0 HH12 ARG A 106 10.518 -9.352 -11.880 1.00 1.18 H new ATOM 0 HH21 ARG A 106 11.098 -6.838 -14.274 1.00 0.90 H new ATOM 0 HH22 ARG A 106 11.830 -7.998 -13.161 1.00 0.90 H new ATOM 1577 N HIS A 107 2.315 -6.439 -11.564 1.00 0.52 N ATOM 1578 CA HIS A 107 0.926 -6.377 -11.996 1.00 0.54 C ATOM 1579 C HIS A 107 0.194 -5.214 -11.321 1.00 0.54 C ATOM 1580 O HIS A 107 -0.382 -4.368 -12.001 1.00 0.59 O ATOM 1581 CB HIS A 107 0.222 -7.704 -11.695 1.00 0.58 C ATOM 1582 CG HIS A 107 -1.104 -7.866 -12.381 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -1.183 -8.150 -13.724 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -2.356 -7.798 -11.870 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.474 -8.252 -13.995 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -3.218 -8.046 -12.904 1.00 0.70 N ATOM 0 H HIS A 107 2.558 -7.288 -11.053 1.00 0.52 H new ATOM 0 HA HIS A 107 0.907 -6.205 -13.072 1.00 0.54 H new ATOM 0 HB2 HIS A 107 0.875 -8.525 -11.992 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.074 -7.788 -10.618 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -2.623 -7.589 -10.845 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.875 -8.473 -14.973 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -4.236 -8.069 -12.852 1.00 0.70 H new ATOM 1594 N VAL A 108 0.231 -5.170 -9.994 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.440 -4.111 -9.234 1.00 0.49 C ATOM 1596 C VAL A 108 -0.001 -2.717 -9.688 1.00 0.49 C ATOM 1597 O VAL A 108 -0.840 -1.853 -9.949 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.195 -4.276 -7.712 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -0.844 -3.148 -6.923 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.721 -5.626 -7.242 1.00 0.53 C ATOM 0 H VAL A 108 0.719 -5.855 -9.417 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.508 -4.208 -9.431 1.00 0.49 H new ATOM 0 HB VAL A 108 0.879 -4.231 -7.533 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -0.654 -3.292 -5.859 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -0.424 -2.194 -7.240 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -1.919 -3.149 -7.103 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.544 -5.733 -6.172 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.791 -5.689 -7.441 1.00 0.53 H new ATOM 0 HG23 VAL A 108 -0.205 -6.424 -7.776 1.00 0.53 H new ATOM 1610 N MET A 109 1.305 -2.510 -9.816 1.00 0.47 N ATOM 1611 CA MET A 109 1.841 -1.215 -10.234 1.00 0.49 C ATOM 1612 C MET A 109 1.326 -0.813 -11.613 1.00 0.50 C ATOM 1613 O MET A 109 1.075 0.365 -11.873 1.00 0.52 O ATOM 1614 CB MET A 109 3.371 -1.239 -10.223 1.00 0.50 C ATOM 1615 CG MET A 109 3.991 0.030 -9.654 1.00 0.62 C ATOM 1616 SD MET A 109 4.185 -0.021 -7.854 1.00 0.80 S ATOM 1617 CE MET A 109 2.491 0.138 -7.286 1.00 0.86 C ATOM 0 H MET A 109 2.014 -3.221 -9.637 1.00 0.47 H new ATOM 0 HA MET A 109 1.495 -0.469 -9.519 1.00 0.49 H new ATOM 0 HB2 MET A 109 3.709 -2.094 -9.638 1.00 0.50 H new ATOM 0 HB3 MET A 109 3.732 -1.386 -11.241 1.00 0.50 H new ATOM 0 HG2 MET A 109 4.966 0.189 -10.114 1.00 0.62 H new ATOM 0 HG3 MET A 109 3.369 0.884 -9.923 1.00 0.62 H new ATOM 0 HE1 MET A 109 2.485 0.405 -6.229 1.00 0.86 H new ATOM 0 HE2 MET A 109 1.986 0.916 -7.859 1.00 0.86 H new ATOM 0 HE3 MET A 109 1.971 -0.810 -7.424 1.00 0.86 H new ATOM 1627 N THR A 110 1.155 -1.789 -12.494 1.00 0.50 N ATOM 1628 CA THR A 110 0.653 -1.506 -13.827 1.00 0.54 C ATOM 1629 C THR A 110 -0.870 -1.327 -13.810 1.00 0.53 C ATOM 1630 O THR A 110 -1.427 -0.560 -14.599 1.00 0.54 O ATOM 1631 CB THR A 110 1.033 -2.623 -14.819 1.00 0.58 C ATOM 1632 OG1 THR A 110 2.415 -2.973 -14.653 1.00 0.59 O ATOM 1633 CG2 THR A 110 0.793 -2.167 -16.252 1.00 0.67 C ATOM 0 H THR A 110 1.354 -2.772 -12.311 1.00 0.50 H new ATOM 0 HA THR A 110 1.117 -0.577 -14.157 1.00 0.54 H new ATOM 0 HB THR A 110 0.409 -3.494 -14.616 1.00 0.58 H new ATOM 0 HG1 THR A 110 2.499 -3.650 -13.950 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.067 -2.968 -16.939 1.00 0.67 H new ATOM 0 HG22 THR A 110 -0.260 -1.920 -16.384 1.00 0.67 H new ATOM 0 HG23 THR A 110 1.401 -1.287 -16.460 1.00 0.67 H new ATOM 1641 N ASN A 111 -1.536 -2.032 -12.898 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.992 -1.956 -12.761 1.00 0.56 C ATOM 1643 C ASN A 111 -3.407 -0.582 -12.273 1.00 0.55 C ATOM 1644 O ASN A 111 -4.346 0.017 -12.793 1.00 0.58 O ATOM 1645 CB ASN A 111 -3.497 -3.014 -11.784 1.00 0.58 C ATOM 1646 CG ASN A 111 -4.568 -3.901 -12.383 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -5.760 -3.605 -12.304 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -4.148 -5.001 -12.980 1.00 0.88 N ATOM 0 H ASN A 111 -1.088 -2.667 -12.238 1.00 0.53 H new ATOM 0 HA ASN A 111 -3.432 -2.138 -13.742 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.660 -3.632 -11.459 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.894 -2.522 -10.896 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -4.821 -5.643 -13.398 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -3.150 -5.209 -13.023 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.696 -0.089 -11.269 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.977 1.222 -10.712 1.00 0.57 C ATOM 1657 C LEU A 112 -2.648 2.305 -11.731 1.00 0.61 C ATOM 1658 O LEU A 112 -3.221 3.394 -11.707 1.00 0.68 O ATOM 1659 CB LEU A 112 -2.177 1.431 -9.427 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.615 0.561 -8.247 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.515 0.488 -7.207 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.896 1.106 -7.629 1.00 0.63 C ATOM 0 H LEU A 112 -1.920 -0.579 -10.825 1.00 0.54 H new ATOM 0 HA LEU A 112 -4.038 1.285 -10.471 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -1.125 1.233 -9.635 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.253 2.478 -9.135 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.811 -0.446 -8.615 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.842 -0.134 -6.374 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.620 0.055 -7.654 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -1.290 1.491 -6.844 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -4.193 0.475 -6.791 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.725 2.123 -7.275 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.688 1.111 -8.378 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.735 1.988 -12.637 1.00 0.67 N ATOM 1675 CA GLY A 113 -1.341 2.936 -13.656 1.00 0.75 C ATOM 1676 C GLY A 113 -0.282 3.883 -13.156 1.00 0.77 C ATOM 1677 O GLY A 113 -0.452 5.101 -13.193 1.00 0.89 O ATOM 0 H GLY A 113 -1.259 1.087 -12.684 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.967 2.399 -14.528 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -2.213 3.504 -13.981 1.00 0.75 H new ATOM 1681 N GLU A 114 0.810 3.316 -12.670 1.00 0.72 N ATOM 1682 CA GLU A 114 1.917 4.101 -12.162 1.00 0.79 C ATOM 1683 C GLU A 114 2.977 4.266 -13.246 1.00 0.79 C ATOM 1684 O GLU A 114 3.034 3.482 -14.194 1.00 0.83 O ATOM 1685 CB GLU A 114 2.519 3.412 -10.932 1.00 0.84 C ATOM 1686 CG GLU A 114 2.752 4.333 -9.740 1.00 0.95 C ATOM 1687 CD GLU A 114 3.515 5.589 -10.100 1.00 1.07 C ATOM 1688 OE1 GLU A 114 2.893 6.541 -10.608 1.00 1.55 O ATOM 1689 OE2 GLU A 114 4.743 5.624 -9.888 1.00 1.61 O ATOM 0 H GLU A 114 0.951 2.307 -12.618 1.00 0.72 H new ATOM 0 HA GLU A 114 1.555 5.088 -11.873 1.00 0.79 H new ATOM 0 HB2 GLU A 114 1.857 2.602 -10.625 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.469 2.958 -11.215 1.00 0.84 H new ATOM 0 HG2 GLU A 114 1.790 4.611 -9.309 1.00 0.95 H new ATOM 0 HG3 GLU A 114 3.301 3.790 -8.971 1.00 0.95 H new ATOM 1696 N LYS A 115 3.821 5.278 -13.093 1.00 0.77 N ATOM 1697 CA LYS A 115 4.888 5.550 -14.054 1.00 0.80 C ATOM 1698 C LYS A 115 6.134 4.729 -13.709 1.00 0.82 C ATOM 1699 O LYS A 115 7.262 5.205 -13.838 1.00 1.18 O ATOM 1700 CB LYS A 115 5.237 7.048 -14.052 1.00 0.84 C ATOM 1701 CG LYS A 115 4.084 7.964 -13.661 1.00 0.91 C ATOM 1702 CD LYS A 115 4.434 8.775 -12.419 1.00 1.07 C ATOM 1703 CE LYS A 115 3.290 9.681 -11.980 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.163 8.921 -11.378 1.00 1.02 N ATOM 0 H LYS A 115 3.789 5.929 -12.308 1.00 0.77 H new ATOM 0 HA LYS A 115 4.539 5.267 -15.047 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.066 7.214 -13.364 1.00 0.84 H new ATOM 0 HB3 LYS A 115 5.586 7.328 -15.046 1.00 0.84 H new ATOM 0 HG2 LYS A 115 3.852 8.637 -14.487 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.190 7.370 -13.473 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.691 8.097 -11.605 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.318 9.381 -12.620 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.662 10.407 -11.257 1.00 1.17 H new ATOM 0 HE3 LYS A 115 2.926 10.245 -12.839 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.661 9.526 -10.697 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.506 8.623 -12.127 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.533 8.081 -10.888 1.00 1.02 H new ATOM 1718 N LEU A 116 5.923 3.489 -13.278 1.00 0.64 N ATOM 1719 CA LEU A 116 7.022 2.611 -12.898 1.00 0.65 C ATOM 1720 C LEU A 116 7.244 1.519 -13.934 1.00 0.65 C ATOM 1721 O LEU A 116 6.389 0.650 -14.130 1.00 0.68 O ATOM 1722 CB LEU A 116 6.754 1.963 -11.538 1.00 0.70 C ATOM 1723 CG LEU A 116 7.708 2.378 -10.414 1.00 0.93 C ATOM 1724 CD1 LEU A 116 7.522 3.846 -10.062 1.00 1.27 C ATOM 1725 CD2 LEU A 116 7.502 1.503 -9.189 1.00 0.93 C ATOM 0 H LEU A 116 4.998 3.070 -13.183 1.00 0.64 H new ATOM 0 HA LEU A 116 7.919 3.228 -12.837 1.00 0.65 H new ATOM 0 HB2 LEU A 116 5.735 2.203 -11.234 1.00 0.70 H new ATOM 0 HB3 LEU A 116 6.805 0.880 -11.654 1.00 0.70 H new ATOM 0 HG LEU A 116 8.730 2.241 -10.767 1.00 0.93 H new ATOM 0 HD11 LEU A 116 8.210 4.118 -9.261 1.00 1.27 H new ATOM 0 HD12 LEU A 116 7.726 4.459 -10.940 1.00 1.27 H new ATOM 0 HD13 LEU A 116 6.497 4.014 -9.732 1.00 1.27 H new ATOM 0 HD21 LEU A 116 8.188 1.813 -8.401 1.00 0.93 H new ATOM 0 HD22 LEU A 116 6.476 1.606 -8.837 1.00 0.93 H new ATOM 0 HD23 LEU A 116 7.694 0.462 -9.449 1.00 0.93 H new ATOM 1737 N THR A 117 8.389 1.569 -14.594 1.00 0.70 N ATOM 1738 CA THR A 117 8.729 0.573 -15.588 1.00 0.73 C ATOM 1739 C THR A 117 9.267 -0.684 -14.911 1.00 0.71 C ATOM 1740 O THR A 117 9.443 -0.707 -13.691 1.00 0.69 O ATOM 1741 CB THR A 117 9.756 1.125 -16.592 1.00 0.81 C ATOM 1742 OG1 THR A 117 10.400 2.281 -16.038 1.00 0.93 O ATOM 1743 CG2 THR A 117 9.070 1.496 -17.900 1.00 1.04 C ATOM 0 H THR A 117 9.097 2.290 -14.457 1.00 0.70 H new ATOM 0 HA THR A 117 7.824 0.316 -16.139 1.00 0.73 H new ATOM 0 HB THR A 117 10.501 0.355 -16.792 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.055 2.629 -16.679 1.00 0.93 H new ATOM 0 HG21 THR A 117 9.809 1.885 -18.601 1.00 1.04 H new ATOM 0 HG22 THR A 117 8.596 0.612 -18.326 1.00 1.04 H new ATOM 0 HG23 THR A 117 8.313 2.257 -17.711 1.00 1.04 H new ATOM 1751 N ASP A 118 9.531 -1.716 -15.699 1.00 0.73 N ATOM 1752 CA ASP A 118 10.009 -2.996 -15.180 1.00 0.74 C ATOM 1753 C ASP A 118 11.220 -2.845 -14.260 1.00 0.73 C ATOM 1754 O ASP A 118 11.216 -3.339 -13.131 1.00 0.74 O ATOM 1755 CB ASP A 118 10.351 -3.928 -16.335 1.00 0.79 C ATOM 1756 CG ASP A 118 10.439 -5.371 -15.897 1.00 0.97 C ATOM 1757 OD1 ASP A 118 11.527 -5.804 -15.484 1.00 1.38 O ATOM 1758 OD2 ASP A 118 9.413 -6.079 -15.957 1.00 1.20 O ATOM 0 H ASP A 118 9.422 -1.694 -16.713 1.00 0.73 H new ATOM 0 HA ASP A 118 9.202 -3.420 -14.582 1.00 0.74 H new ATOM 0 HB2 ASP A 118 9.594 -3.832 -17.113 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.301 -3.625 -16.775 1.00 0.79 H new ATOM 1763 N GLU A 119 12.241 -2.149 -14.738 1.00 0.72 N ATOM 1764 CA GLU A 119 13.462 -1.943 -13.961 1.00 0.73 C ATOM 1765 C GLU A 119 13.202 -1.071 -12.723 1.00 0.70 C ATOM 1766 O GLU A 119 13.920 -1.168 -11.728 1.00 0.71 O ATOM 1767 CB GLU A 119 14.530 -1.296 -14.842 1.00 0.78 C ATOM 1768 CG GLU A 119 15.908 -1.925 -14.705 1.00 1.15 C ATOM 1769 CD GLU A 119 16.524 -2.252 -16.047 1.00 1.69 C ATOM 1770 OE1 GLU A 119 16.154 -3.291 -16.637 1.00 2.18 O ATOM 1771 OE2 GLU A 119 17.365 -1.465 -16.529 1.00 2.33 O ATOM 0 H GLU A 119 12.251 -1.715 -15.661 1.00 0.72 H new ATOM 0 HA GLU A 119 13.812 -2.916 -13.615 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.215 -1.359 -15.883 1.00 0.78 H new ATOM 0 HB3 GLU A 119 14.599 -0.237 -14.594 1.00 0.78 H new ATOM 0 HG2 GLU A 119 16.564 -1.244 -14.163 1.00 1.15 H new ATOM 0 HG3 GLU A 119 15.832 -2.836 -14.111 1.00 1.15 H new ATOM 1778 N GLU A 120 12.155 -0.254 -12.792 1.00 0.70 N ATOM 1779 CA GLU A 120 11.813 0.630 -11.688 1.00 0.69 C ATOM 1780 C GLU A 120 11.068 -0.139 -10.606 1.00 0.67 C ATOM 1781 O GLU A 120 11.232 0.128 -9.416 1.00 0.68 O ATOM 1782 CB GLU A 120 11.004 1.826 -12.180 1.00 0.72 C ATOM 1783 CG GLU A 120 11.840 2.802 -12.987 1.00 0.85 C ATOM 1784 CD GLU A 120 13.071 3.262 -12.237 1.00 1.09 C ATOM 1785 OE1 GLU A 120 12.956 4.185 -11.401 1.00 1.33 O ATOM 1786 OE2 GLU A 120 14.156 2.696 -12.469 1.00 1.86 O ATOM 0 H GLU A 120 11.533 -0.187 -13.598 1.00 0.70 H new ATOM 0 HA GLU A 120 12.735 1.016 -11.253 1.00 0.69 H new ATOM 0 HB2 GLU A 120 10.174 1.472 -12.791 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.571 2.344 -11.324 1.00 0.72 H new ATOM 0 HG2 GLU A 120 12.142 2.331 -13.922 1.00 0.85 H new ATOM 0 HG3 GLU A 120 11.232 3.668 -13.248 1.00 0.85 H new ATOM 1793 N VAL A 121 10.262 -1.107 -11.028 1.00 0.66 N ATOM 1794 CA VAL A 121 9.516 -1.931 -10.086 1.00 0.66 C ATOM 1795 C VAL A 121 10.493 -2.798 -9.301 1.00 0.64 C ATOM 1796 O VAL A 121 10.342 -3.005 -8.097 1.00 0.63 O ATOM 1797 CB VAL A 121 8.470 -2.831 -10.789 1.00 0.70 C ATOM 1798 CG1 VAL A 121 7.816 -3.770 -9.789 1.00 0.71 C ATOM 1799 CG2 VAL A 121 7.407 -1.993 -11.484 1.00 0.76 C ATOM 0 H VAL A 121 10.109 -1.339 -12.010 1.00 0.66 H new ATOM 0 HA VAL A 121 8.971 -1.264 -9.418 1.00 0.66 H new ATOM 0 HB VAL A 121 8.991 -3.422 -11.542 1.00 0.70 H new ATOM 0 HG11 VAL A 121 7.084 -4.394 -10.301 1.00 0.71 H new ATOM 0 HG12 VAL A 121 8.577 -4.403 -9.333 1.00 0.71 H new ATOM 0 HG13 VAL A 121 7.317 -3.187 -9.015 1.00 0.71 H new ATOM 0 HG21 VAL A 121 6.685 -2.650 -11.969 1.00 0.76 H new ATOM 0 HG22 VAL A 121 6.895 -1.372 -10.749 1.00 0.76 H new ATOM 0 HG23 VAL A 121 7.878 -1.356 -12.232 1.00 0.76 H new ATOM 1809 N ASP A 122 11.506 -3.289 -10.001 1.00 0.65 N ATOM 1810 CA ASP A 122 12.544 -4.113 -9.392 1.00 0.66 C ATOM 1811 C ASP A 122 13.355 -3.308 -8.385 1.00 0.65 C ATOM 1812 O ASP A 122 13.704 -3.798 -7.310 1.00 0.66 O ATOM 1813 CB ASP A 122 13.475 -4.661 -10.467 1.00 0.71 C ATOM 1814 CG ASP A 122 14.631 -5.439 -9.880 1.00 0.81 C ATOM 1815 OD1 ASP A 122 14.389 -6.489 -9.247 1.00 0.89 O ATOM 1816 OD2 ASP A 122 15.792 -5.005 -10.051 1.00 0.96 O ATOM 0 H ASP A 122 11.633 -3.130 -11.001 1.00 0.65 H new ATOM 0 HA ASP A 122 12.058 -4.939 -8.872 1.00 0.66 H new ATOM 0 HB2 ASP A 122 12.910 -5.306 -11.140 1.00 0.71 H new ATOM 0 HB3 ASP A 122 13.861 -3.836 -11.066 1.00 0.71 H new ATOM 1821 N GLU A 123 13.656 -2.067 -8.743 1.00 0.66 N ATOM 1822 CA GLU A 123 14.413 -1.174 -7.868 1.00 0.68 C ATOM 1823 C GLU A 123 13.632 -0.963 -6.578 1.00 0.66 C ATOM 1824 O GLU A 123 14.195 -0.960 -5.486 1.00 0.66 O ATOM 1825 CB GLU A 123 14.671 0.172 -8.566 1.00 0.75 C ATOM 1826 CG GLU A 123 15.796 1.002 -7.954 1.00 0.86 C ATOM 1827 CD GLU A 123 17.097 0.239 -7.820 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.468 -0.492 -8.759 1.00 1.13 O ATOM 1829 OE2 GLU A 123 17.764 0.367 -6.767 1.00 1.20 O ATOM 0 H GLU A 123 13.388 -1.652 -9.636 1.00 0.66 H new ATOM 0 HA GLU A 123 15.379 -1.625 -7.638 1.00 0.68 H new ATOM 0 HB2 GLU A 123 14.905 -0.016 -9.614 1.00 0.75 H new ATOM 0 HB3 GLU A 123 13.752 0.759 -8.545 1.00 0.75 H new ATOM 0 HG2 GLU A 123 15.963 1.886 -8.570 1.00 0.86 H new ATOM 0 HG3 GLU A 123 15.485 1.353 -6.970 1.00 0.86 H new ATOM 1836 N MET A 124 12.317 -0.839 -6.725 1.00 0.67 N ATOM 1837 CA MET A 124 11.422 -0.657 -5.590 1.00 0.69 C ATOM 1838 C MET A 124 11.396 -1.932 -4.756 1.00 0.69 C ATOM 1839 O MET A 124 11.399 -1.904 -3.536 1.00 0.76 O ATOM 1840 CB MET A 124 10.008 -0.308 -6.073 1.00 0.72 C ATOM 1841 CG MET A 124 8.994 -0.170 -4.950 1.00 0.64 C ATOM 1842 SD MET A 124 7.627 0.944 -5.360 1.00 0.61 S ATOM 1843 CE MET A 124 6.537 0.616 -3.980 1.00 0.68 C ATOM 0 H MET A 124 11.845 -0.862 -7.629 1.00 0.67 H new ATOM 0 HA MET A 124 11.786 0.167 -4.977 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.046 0.626 -6.633 1.00 0.72 H new ATOM 0 HB3 MET A 124 9.669 -1.080 -6.764 1.00 0.72 H new ATOM 0 HG2 MET A 124 8.593 -1.154 -4.708 1.00 0.64 H new ATOM 0 HG3 MET A 124 9.498 0.197 -4.056 1.00 0.64 H new ATOM 0 HE1 MET A 124 5.581 1.113 -4.145 1.00 0.68 H new ATOM 0 HE2 MET A 124 6.377 -0.458 -3.890 1.00 0.68 H new ATOM 0 HE3 MET A 124 6.988 0.993 -3.062 1.00 0.68 H new ATOM 1853 N ILE A 125 11.406 -3.068 -5.446 1.00 0.65 N ATOM 1854 CA ILE A 125 11.388 -4.383 -4.804 1.00 0.68 C ATOM 1855 C ILE A 125 12.539 -4.545 -3.797 1.00 0.66 C ATOM 1856 O ILE A 125 12.431 -5.311 -2.841 1.00 0.64 O ATOM 1857 CB ILE A 125 11.436 -5.497 -5.893 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.021 -6.009 -6.196 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.358 -6.652 -5.512 1.00 0.90 C ATOM 1860 CD1 ILE A 125 9.418 -6.866 -5.098 1.00 0.92 C ATOM 0 H ILE A 125 11.427 -3.106 -6.465 1.00 0.65 H new ATOM 0 HA ILE A 125 10.461 -4.475 -4.239 1.00 0.68 H new ATOM 0 HB ILE A 125 11.854 -5.047 -6.793 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.368 -5.154 -6.373 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.047 -6.587 -7.119 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.353 -7.399 -6.306 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.372 -6.277 -5.373 1.00 0.90 H new ATOM 0 HG23 ILE A 125 12.008 -7.106 -4.585 1.00 0.90 H new ATOM 0 HD11 ILE A 125 8.419 -7.185 -5.393 1.00 0.92 H new ATOM 0 HD12 ILE A 125 10.045 -7.742 -4.934 1.00 0.92 H new ATOM 0 HD13 ILE A 125 9.356 -6.287 -4.177 1.00 0.92 H new ATOM 1872 N ARG A 126 13.616 -3.787 -3.983 1.00 0.73 N ATOM 1873 CA ARG A 126 14.768 -3.878 -3.097 1.00 0.77 C ATOM 1874 C ARG A 126 14.785 -2.770 -2.036 1.00 0.77 C ATOM 1875 O ARG A 126 15.754 -2.652 -1.291 1.00 0.87 O ATOM 1876 CB ARG A 126 16.058 -3.843 -3.914 1.00 0.81 C ATOM 1877 CG ARG A 126 16.363 -5.161 -4.609 1.00 0.93 C ATOM 1878 CD ARG A 126 17.633 -5.084 -5.439 1.00 0.94 C ATOM 1879 NE ARG A 126 17.363 -4.683 -6.817 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.472 -3.437 -7.274 1.00 0.83 C ATOM 1881 NH1 ARG A 126 17.919 -2.468 -6.479 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.148 -3.160 -8.531 1.00 0.89 N ATOM 0 H ARG A 126 13.713 -3.106 -4.736 1.00 0.73 H new ATOM 0 HA ARG A 126 14.692 -4.827 -2.566 1.00 0.77 H new ATOM 0 HB2 ARG A 126 15.985 -3.054 -4.662 1.00 0.81 H new ATOM 0 HB3 ARG A 126 16.889 -3.585 -3.258 1.00 0.81 H new ATOM 0 HG2 ARG A 126 16.464 -5.950 -3.863 1.00 0.93 H new ATOM 0 HG3 ARG A 126 15.526 -5.435 -5.251 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.322 -4.373 -4.983 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.128 -6.055 -5.434 1.00 0.94 H new ATOM 0 HE ARG A 126 17.071 -5.406 -7.474 1.00 0.90 H new ATOM 0 HH11 ARG A 126 18.180 -2.678 -5.516 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.001 -1.515 -6.833 1.00 0.81 H new ATOM 0 HH21 ARG A 126 16.815 -3.902 -9.147 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.232 -2.205 -8.881 1.00 0.89 H new ATOM 1896 N GLU A 127 13.719 -1.991 -1.961 1.00 0.76 N ATOM 1897 CA GLU A 127 13.657 -0.910 -0.974 1.00 0.77 C ATOM 1898 C GLU A 127 13.520 -1.495 0.433 1.00 0.74 C ATOM 1899 O GLU A 127 14.146 -1.016 1.382 1.00 0.75 O ATOM 1900 CB GLU A 127 12.527 0.071 -1.290 1.00 0.88 C ATOM 1901 CG GLU A 127 11.136 -0.476 -1.016 1.00 0.97 C ATOM 1902 CD GLU A 127 10.061 0.580 -1.143 1.00 1.39 C ATOM 1903 OE1 GLU A 127 9.906 1.379 -0.206 1.00 1.87 O ATOM 1904 OE2 GLU A 127 9.378 0.608 -2.179 1.00 2.04 O ATOM 0 H GLU A 127 12.896 -2.078 -2.557 1.00 0.76 H new ATOM 0 HA GLU A 127 14.587 -0.344 -1.021 1.00 0.77 H new ATOM 0 HB2 GLU A 127 12.672 0.977 -0.702 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.593 0.358 -2.339 1.00 0.88 H new ATOM 0 HG2 GLU A 127 10.926 -1.289 -1.711 1.00 0.97 H new ATOM 0 HG3 GLU A 127 11.107 -0.900 -0.012 1.00 0.97 H new ATOM 1911 N ALA A 128 12.693 -2.528 0.566 1.00 0.78 N ATOM 1912 CA ALA A 128 12.497 -3.197 1.850 1.00 0.82 C ATOM 1913 C ALA A 128 13.230 -4.524 1.888 1.00 0.74 C ATOM 1914 O ALA A 128 13.311 -5.174 2.927 1.00 0.76 O ATOM 1915 CB ALA A 128 11.020 -3.427 2.109 1.00 0.96 C ATOM 0 H ALA A 128 12.147 -2.921 -0.200 1.00 0.78 H new ATOM 0 HA ALA A 128 12.902 -2.550 2.628 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.892 -3.926 3.070 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.500 -2.469 2.126 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.605 -4.051 1.318 1.00 0.96 H new ATOM 1921 N ASP A 129 13.772 -4.909 0.745 1.00 0.71 N ATOM 1922 CA ASP A 129 14.483 -6.169 0.623 1.00 0.68 C ATOM 1923 C ASP A 129 15.863 -6.055 1.256 1.00 0.71 C ATOM 1924 O ASP A 129 16.789 -5.496 0.670 1.00 0.78 O ATOM 1925 CB ASP A 129 14.585 -6.566 -0.847 1.00 0.69 C ATOM 1926 CG ASP A 129 14.681 -8.062 -1.043 1.00 0.71 C ATOM 1927 OD1 ASP A 129 13.724 -8.776 -0.679 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.704 -8.535 -1.564 1.00 0.76 O ATOM 0 H ASP A 129 13.732 -4.363 -0.116 1.00 0.71 H new ATOM 0 HA ASP A 129 13.932 -6.947 1.151 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.713 -6.189 -1.382 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.460 -6.089 -1.288 1.00 0.69 H new ATOM 1933 N ILE A 130 15.981 -6.578 2.468 1.00 0.74 N ATOM 1934 CA ILE A 130 17.230 -6.516 3.212 1.00 0.81 C ATOM 1935 C ILE A 130 18.004 -7.828 3.100 1.00 0.84 C ATOM 1936 O ILE A 130 19.201 -7.888 3.398 1.00 0.92 O ATOM 1937 CB ILE A 130 16.968 -6.189 4.703 1.00 0.88 C ATOM 1938 CG1 ILE A 130 15.851 -5.152 4.834 1.00 0.86 C ATOM 1939 CG2 ILE A 130 18.228 -5.663 5.375 1.00 1.01 C ATOM 1940 CD1 ILE A 130 16.200 -3.811 4.217 1.00 0.88 C ATOM 0 H ILE A 130 15.223 -7.052 2.959 1.00 0.74 H new ATOM 0 HA ILE A 130 17.831 -5.719 2.775 1.00 0.81 H new ATOM 0 HB ILE A 130 16.665 -7.112 5.198 1.00 0.88 H new ATOM 0 HG12 ILE A 130 14.949 -5.538 4.360 1.00 0.86 H new ATOM 0 HG13 ILE A 130 15.620 -5.009 5.890 1.00 0.86 H new ATOM 0 HG21 ILE A 130 18.017 -5.441 6.421 1.00 1.01 H new ATOM 0 HG22 ILE A 130 19.014 -6.416 5.315 1.00 1.01 H new ATOM 0 HG23 ILE A 130 18.557 -4.754 4.871 1.00 1.01 H new ATOM 0 HD11 ILE A 130 15.364 -3.123 4.345 1.00 0.88 H new ATOM 0 HD12 ILE A 130 17.084 -3.404 4.708 1.00 0.88 H new ATOM 0 HD13 ILE A 130 16.403 -3.941 3.154 1.00 0.88 H new ATOM 1952 N ASP A 131 17.326 -8.877 2.661 1.00 0.83 N ATOM 1953 CA ASP A 131 17.965 -10.178 2.506 1.00 0.87 C ATOM 1954 C ASP A 131 18.631 -10.282 1.138 1.00 0.89 C ATOM 1955 O ASP A 131 19.624 -10.991 0.973 1.00 0.98 O ATOM 1956 CB ASP A 131 16.966 -11.336 2.701 1.00 0.88 C ATOM 1957 CG ASP A 131 15.704 -11.205 1.867 1.00 0.84 C ATOM 1958 OD1 ASP A 131 15.650 -10.347 0.974 1.00 1.02 O ATOM 1959 OD2 ASP A 131 14.730 -11.948 2.113 1.00 0.88 O ATOM 0 H ASP A 131 16.339 -8.855 2.406 1.00 0.83 H new ATOM 0 HA ASP A 131 18.725 -10.264 3.283 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.460 -12.275 2.451 1.00 0.88 H new ATOM 0 HB3 ASP A 131 16.690 -11.392 3.754 1.00 0.88 H new ATOM 1964 N GLY A 132 18.085 -9.563 0.169 1.00 0.87 N ATOM 1965 CA GLY A 132 18.624 -9.585 -1.173 1.00 0.92 C ATOM 1966 C GLY A 132 18.117 -10.778 -1.951 1.00 0.92 C ATOM 1967 O GLY A 132 18.893 -11.508 -2.567 1.00 0.94 O ATOM 0 H GLY A 132 17.271 -8.960 0.291 1.00 0.87 H new ATOM 0 HA2 GLY A 132 18.350 -8.667 -1.692 1.00 0.92 H new ATOM 0 HA3 GLY A 132 19.713 -9.613 -1.129 1.00 0.92 H new ATOM 1971 N ASP A 133 16.810 -10.983 -1.917 1.00 0.94 N ATOM 1972 CA ASP A 133 16.201 -12.114 -2.602 1.00 0.94 C ATOM 1973 C ASP A 133 15.169 -11.662 -3.633 1.00 0.89 C ATOM 1974 O ASP A 133 14.793 -12.429 -4.517 1.00 0.95 O ATOM 1975 CB ASP A 133 15.573 -13.076 -1.586 1.00 0.91 C ATOM 1976 CG ASP A 133 14.086 -12.872 -1.391 1.00 0.84 C ATOM 1977 OD1 ASP A 133 13.685 -11.798 -0.889 1.00 0.79 O ATOM 1978 OD2 ASP A 133 13.316 -13.794 -1.724 1.00 0.95 O ATOM 0 H ASP A 133 16.150 -10.382 -1.423 1.00 0.94 H new ATOM 0 HA ASP A 133 16.988 -12.640 -3.142 1.00 0.94 H new ATOM 0 HB2 ASP A 133 15.750 -14.101 -1.912 1.00 0.91 H new ATOM 0 HB3 ASP A 133 16.076 -12.956 -0.626 1.00 0.91 H new ATOM 1983 N GLY A 134 14.715 -10.421 -3.532 1.00 0.84 N ATOM 1984 CA GLY A 134 13.749 -9.913 -4.487 1.00 0.84 C ATOM 1985 C GLY A 134 12.308 -10.089 -4.047 1.00 0.74 C ATOM 1986 O GLY A 134 11.384 -9.780 -4.800 1.00 0.78 O ATOM 0 H GLY A 134 14.996 -9.758 -2.809 1.00 0.84 H new ATOM 0 HA2 GLY A 134 13.941 -8.854 -4.657 1.00 0.84 H new ATOM 0 HA3 GLY A 134 13.893 -10.420 -5.441 1.00 0.84 H new ATOM 1990 N GLN A 135 12.099 -10.604 -2.848 1.00 0.69 N ATOM 1991 CA GLN A 135 10.750 -10.801 -2.343 1.00 0.65 C ATOM 1992 C GLN A 135 10.562 -10.092 -1.009 1.00 0.63 C ATOM 1993 O GLN A 135 11.214 -10.430 -0.015 1.00 0.73 O ATOM 1994 CB GLN A 135 10.441 -12.290 -2.184 1.00 0.68 C ATOM 1995 CG GLN A 135 10.722 -13.116 -3.425 1.00 0.77 C ATOM 1996 CD GLN A 135 10.349 -14.564 -3.224 1.00 0.88 C ATOM 1997 OE1 GLN A 135 9.281 -15.008 -3.646 1.00 1.26 O ATOM 1998 NE2 GLN A 135 11.214 -15.297 -2.549 1.00 1.23 N ATOM 0 H GLN A 135 12.840 -10.892 -2.209 1.00 0.69 H new ATOM 0 HA GLN A 135 10.059 -10.373 -3.069 1.00 0.65 H new ATOM 0 HB2 GLN A 135 11.029 -12.686 -1.356 1.00 0.68 H new ATOM 0 HB3 GLN A 135 9.391 -12.406 -1.913 1.00 0.68 H new ATOM 0 HG2 GLN A 135 10.163 -12.709 -4.268 1.00 0.77 H new ATOM 0 HG3 GLN A 135 11.780 -13.044 -3.679 1.00 0.77 H new ATOM 0 HE21 GLN A 135 12.086 -14.883 -2.220 1.00 1.23 H new ATOM 0 HE22 GLN A 135 11.010 -16.278 -2.356 1.00 1.23 H new ATOM 2007 N VAL A 136 9.685 -9.100 -0.988 1.00 0.60 N ATOM 2008 CA VAL A 136 9.402 -8.362 0.231 1.00 0.59 C ATOM 2009 C VAL A 136 8.493 -9.201 1.128 1.00 0.58 C ATOM 2010 O VAL A 136 7.278 -9.252 0.931 1.00 0.61 O ATOM 2011 CB VAL A 136 8.740 -6.985 -0.047 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.435 -6.273 1.260 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.629 -6.113 -0.932 1.00 0.69 C ATOM 0 H VAL A 136 9.157 -8.788 -1.803 1.00 0.60 H new ATOM 0 HA VAL A 136 10.353 -8.166 0.727 1.00 0.59 H new ATOM 0 HB VAL A 136 7.805 -7.162 -0.579 1.00 0.60 H new ATOM 0 HG11 VAL A 136 7.971 -5.309 1.050 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.754 -6.881 1.855 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.361 -6.117 1.814 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.139 -5.156 -1.109 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.584 -5.945 -0.435 1.00 0.69 H new ATOM 0 HG23 VAL A 136 9.799 -6.615 -1.884 1.00 0.69 H new ATOM 2023 N ASN A 137 9.097 -9.890 2.086 1.00 0.58 N ATOM 2024 CA ASN A 137 8.341 -10.735 3.000 1.00 0.59 C ATOM 2025 C ASN A 137 7.603 -9.881 4.025 1.00 0.59 C ATOM 2026 O ASN A 137 7.780 -8.662 4.067 1.00 0.59 O ATOM 2027 CB ASN A 137 9.264 -11.773 3.671 1.00 0.61 C ATOM 2028 CG ASN A 137 9.803 -11.350 5.026 1.00 0.63 C ATOM 2029 OD1 ASN A 137 9.214 -11.650 6.062 1.00 0.97 O ATOM 2030 ND2 ASN A 137 10.928 -10.662 5.028 1.00 0.86 N ATOM 0 H ASN A 137 10.104 -9.881 2.250 1.00 0.58 H new ATOM 0 HA ASN A 137 7.592 -11.288 2.433 1.00 0.59 H new ATOM 0 HB2 ASN A 137 8.715 -12.708 3.788 1.00 0.61 H new ATOM 0 HB3 ASN A 137 10.104 -11.977 3.007 1.00 0.61 H new ATOM 0 HD21 ASN A 137 11.339 -10.359 5.911 1.00 0.86 H new ATOM 0 HD22 ASN A 137 11.387 -10.433 4.147 1.00 0.86 H new ATOM 2037 N TYR A 138 6.781 -10.522 4.844 1.00 0.61 N ATOM 2038 CA TYR A 138 5.983 -9.822 5.846 1.00 0.63 C ATOM 2039 C TYR A 138 6.838 -8.934 6.754 1.00 0.63 C ATOM 2040 O TYR A 138 6.574 -7.741 6.877 1.00 0.65 O ATOM 2041 CB TYR A 138 5.209 -10.827 6.696 1.00 0.67 C ATOM 2042 CG TYR A 138 3.923 -10.278 7.274 1.00 0.72 C ATOM 2043 CD1 TYR A 138 2.783 -10.169 6.489 1.00 0.90 C ATOM 2044 CD2 TYR A 138 3.847 -9.869 8.601 1.00 0.89 C ATOM 2045 CE1 TYR A 138 1.602 -9.671 7.007 1.00 1.10 C ATOM 2046 CE2 TYR A 138 2.668 -9.368 9.126 1.00 1.04 C ATOM 2047 CZ TYR A 138 1.549 -9.270 8.325 1.00 1.10 C ATOM 2048 OH TYR A 138 0.372 -8.770 8.847 1.00 1.35 O ATOM 0 H TYR A 138 6.648 -11.533 4.835 1.00 0.61 H new ATOM 0 HA TYR A 138 5.289 -9.175 5.309 1.00 0.63 H new ATOM 0 HB2 TYR A 138 4.978 -11.701 6.087 1.00 0.67 H new ATOM 0 HB3 TYR A 138 5.847 -11.166 7.512 1.00 0.67 H new ATOM 0 HD1 TYR A 138 2.820 -10.479 5.455 1.00 0.90 H new ATOM 0 HD2 TYR A 138 4.721 -9.943 9.231 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.725 -9.596 6.382 1.00 1.10 H new ATOM 0 HE2 TYR A 138 2.624 -9.055 10.159 1.00 1.04 H new ATOM 0 HH TYR A 138 0.506 -8.535 9.789 1.00 1.35 H new ATOM 2058 N GLU A 139 7.888 -9.505 7.331 1.00 0.64 N ATOM 2059 CA GLU A 139 8.746 -8.773 8.255 1.00 0.66 C ATOM 2060 C GLU A 139 9.484 -7.635 7.563 1.00 0.62 C ATOM 2061 O GLU A 139 9.663 -6.563 8.147 1.00 0.60 O ATOM 2062 CB GLU A 139 9.739 -9.731 8.907 1.00 0.72 C ATOM 2063 CG GLU A 139 9.098 -10.995 9.466 1.00 1.39 C ATOM 2064 CD GLU A 139 7.972 -10.704 10.440 1.00 1.99 C ATOM 2065 OE1 GLU A 139 8.220 -10.025 11.457 1.00 2.60 O ATOM 2066 OE2 GLU A 139 6.835 -11.157 10.188 1.00 2.39 O ATOM 0 H GLU A 139 8.166 -10.474 7.175 1.00 0.64 H new ATOM 0 HA GLU A 139 8.111 -8.329 9.022 1.00 0.66 H new ATOM 0 HB2 GLU A 139 10.494 -10.012 8.173 1.00 0.72 H new ATOM 0 HB3 GLU A 139 10.256 -9.210 9.713 1.00 0.72 H new ATOM 0 HG2 GLU A 139 8.713 -11.596 8.642 1.00 1.39 H new ATOM 0 HG3 GLU A 139 9.860 -11.592 9.967 1.00 1.39 H new ATOM 2073 N GLU A 140 9.907 -7.862 6.324 1.00 0.61 N ATOM 2074 CA GLU A 140 10.633 -6.841 5.576 1.00 0.59 C ATOM 2075 C GLU A 140 9.763 -5.613 5.342 1.00 0.55 C ATOM 2076 O GLU A 140 10.232 -4.485 5.437 1.00 0.55 O ATOM 2077 CB GLU A 140 11.128 -7.389 4.235 1.00 0.60 C ATOM 2078 CG GLU A 140 12.481 -8.069 4.334 1.00 0.63 C ATOM 2079 CD GLU A 140 12.848 -8.837 3.081 1.00 0.62 C ATOM 2080 OE1 GLU A 140 12.055 -9.704 2.645 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.937 -8.606 2.526 1.00 0.66 O ATOM 0 H GLU A 140 9.761 -8.736 5.819 1.00 0.61 H new ATOM 0 HA GLU A 140 11.496 -6.550 6.175 1.00 0.59 H new ATOM 0 HB2 GLU A 140 10.398 -8.100 3.848 1.00 0.60 H new ATOM 0 HB3 GLU A 140 11.190 -6.572 3.516 1.00 0.60 H new ATOM 0 HG2 GLU A 140 13.246 -7.318 4.531 1.00 0.63 H new ATOM 0 HG3 GLU A 140 12.478 -8.751 5.184 1.00 0.63 H new ATOM 2088 N PHE A 141 8.490 -5.842 5.064 1.00 0.55 N ATOM 2089 CA PHE A 141 7.554 -4.758 4.801 1.00 0.54 C ATOM 2090 C PHE A 141 7.057 -4.125 6.097 1.00 0.55 C ATOM 2091 O PHE A 141 6.876 -2.909 6.173 1.00 0.56 O ATOM 2092 CB PHE A 141 6.384 -5.300 3.986 1.00 0.62 C ATOM 2093 CG PHE A 141 5.442 -4.251 3.476 1.00 0.62 C ATOM 2094 CD1 PHE A 141 4.350 -3.847 4.230 1.00 0.80 C ATOM 2095 CD2 PHE A 141 5.644 -3.677 2.232 1.00 0.59 C ATOM 2096 CE1 PHE A 141 3.479 -2.892 3.750 1.00 0.88 C ATOM 2097 CE2 PHE A 141 4.775 -2.722 1.750 1.00 0.68 C ATOM 2098 CZ PHE A 141 3.691 -2.327 2.509 1.00 0.79 C ATOM 0 H PHE A 141 8.078 -6.774 5.014 1.00 0.55 H new ATOM 0 HA PHE A 141 8.066 -3.979 4.237 1.00 0.54 H new ATOM 0 HB2 PHE A 141 6.777 -5.860 3.138 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.824 -6.004 4.601 1.00 0.62 H new ATOM 0 HD1 PHE A 141 4.180 -4.285 5.203 1.00 0.80 H new ATOM 0 HD2 PHE A 141 6.490 -3.981 1.634 1.00 0.59 H new ATOM 0 HE1 PHE A 141 2.631 -2.586 4.345 1.00 0.88 H new ATOM 0 HE2 PHE A 141 4.942 -2.282 0.778 1.00 0.68 H new ATOM 0 HZ PHE A 141 3.011 -1.578 2.132 1.00 0.79 H new ATOM 2108 N VAL A 142 6.851 -4.953 7.114 1.00 0.57 N ATOM 2109 CA VAL A 142 6.369 -4.483 8.406 1.00 0.60 C ATOM 2110 C VAL A 142 7.351 -3.494 9.027 1.00 0.59 C ATOM 2111 O VAL A 142 6.975 -2.388 9.419 1.00 0.58 O ATOM 2112 CB VAL A 142 6.128 -5.666 9.377 1.00 0.65 C ATOM 2113 CG1 VAL A 142 6.117 -5.213 10.833 1.00 0.70 C ATOM 2114 CG2 VAL A 142 4.825 -6.374 9.039 1.00 0.66 C ATOM 0 H VAL A 142 7.012 -5.959 7.068 1.00 0.57 H new ATOM 0 HA VAL A 142 5.420 -3.975 8.236 1.00 0.60 H new ATOM 0 HB VAL A 142 6.957 -6.363 9.253 1.00 0.65 H new ATOM 0 HG11 VAL A 142 5.945 -6.073 11.480 1.00 0.70 H new ATOM 0 HG12 VAL A 142 7.077 -4.759 11.080 1.00 0.70 H new ATOM 0 HG13 VAL A 142 5.321 -4.483 10.981 1.00 0.70 H new ATOM 0 HG21 VAL A 142 4.671 -7.202 9.731 1.00 0.66 H new ATOM 0 HG22 VAL A 142 3.996 -5.671 9.124 1.00 0.66 H new ATOM 0 HG23 VAL A 142 4.873 -6.757 8.019 1.00 0.66 H new ATOM 2124 N GLN A 143 8.615 -3.876 9.062 1.00 0.61 N ATOM 2125 CA GLN A 143 9.647 -3.034 9.649 1.00 0.62 C ATOM 2126 C GLN A 143 10.079 -1.916 8.712 1.00 0.59 C ATOM 2127 O GLN A 143 10.951 -1.118 9.050 1.00 0.69 O ATOM 2128 CB GLN A 143 10.856 -3.882 10.029 1.00 0.72 C ATOM 2129 CG GLN A 143 10.682 -4.606 11.348 1.00 1.03 C ATOM 2130 CD GLN A 143 11.937 -5.319 11.797 1.00 1.17 C ATOM 2131 OE1 GLN A 143 12.802 -4.728 12.437 1.00 1.50 O ATOM 2132 NE2 GLN A 143 12.030 -6.604 11.499 1.00 1.47 N ATOM 0 H GLN A 143 8.954 -4.764 8.691 1.00 0.61 H new ATOM 0 HA GLN A 143 9.222 -2.572 10.540 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.042 -4.613 9.242 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.737 -3.243 10.085 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.383 -3.890 12.113 1.00 1.03 H new ATOM 0 HG3 GLN A 143 9.872 -5.330 11.256 1.00 1.03 H new ATOM 0 HE21 GLN A 143 11.289 -7.059 10.965 1.00 1.47 H new ATOM 0 HE22 GLN A 143 12.842 -7.141 11.803 1.00 1.47 H new ATOM 2141 N MET A 144 9.469 -1.846 7.547 1.00 0.57 N ATOM 2142 CA MET A 144 9.837 -0.825 6.583 1.00 0.62 C ATOM 2143 C MET A 144 8.746 0.230 6.419 1.00 0.62 C ATOM 2144 O MET A 144 9.047 1.412 6.301 1.00 0.70 O ATOM 2145 CB MET A 144 10.157 -1.477 5.247 1.00 0.72 C ATOM 2146 CG MET A 144 11.432 -0.958 4.610 1.00 0.84 C ATOM 2147 SD MET A 144 11.204 0.620 3.774 1.00 0.89 S ATOM 2148 CE MET A 144 9.981 0.174 2.542 1.00 0.88 C ATOM 0 H MET A 144 8.725 -2.475 7.245 1.00 0.57 H new ATOM 0 HA MET A 144 10.721 -0.310 6.959 1.00 0.62 H new ATOM 0 HB2 MET A 144 10.244 -2.554 5.389 1.00 0.72 H new ATOM 0 HB3 MET A 144 9.325 -1.312 4.563 1.00 0.72 H new ATOM 0 HG2 MET A 144 12.198 -0.849 5.378 1.00 0.84 H new ATOM 0 HG3 MET A 144 11.800 -1.693 3.894 1.00 0.84 H new ATOM 0 HE1 MET A 144 9.221 0.954 2.484 1.00 0.88 H new ATOM 0 HE2 MET A 144 10.465 0.066 1.571 1.00 0.88 H new ATOM 0 HE3 MET A 144 9.512 -0.770 2.820 1.00 0.88 H new ATOM 2158 N MET A 145 7.482 -0.174 6.442 1.00 0.62 N ATOM 2159 CA MET A 145 6.399 0.790 6.278 1.00 0.70 C ATOM 2160 C MET A 145 6.053 1.447 7.609 1.00 0.69 C ATOM 2161 O MET A 145 5.879 2.667 7.682 1.00 0.74 O ATOM 2162 CB MET A 145 5.156 0.142 5.658 1.00 0.81 C ATOM 2163 CG MET A 145 4.100 1.163 5.251 1.00 1.05 C ATOM 2164 SD MET A 145 2.537 0.407 4.770 1.00 0.94 S ATOM 2165 CE MET A 145 1.764 0.207 6.375 1.00 1.47 C ATOM 0 H MET A 145 7.184 -1.141 6.570 1.00 0.62 H new ATOM 0 HA MET A 145 6.748 1.561 5.591 1.00 0.70 H new ATOM 0 HB2 MET A 145 5.452 -0.437 4.783 1.00 0.81 H new ATOM 0 HB3 MET A 145 4.722 -0.558 6.372 1.00 0.81 H new ATOM 0 HG2 MET A 145 3.926 1.848 6.081 1.00 1.05 H new ATOM 0 HG3 MET A 145 4.480 1.759 4.421 1.00 1.05 H new ATOM 0 HE1 MET A 145 0.783 -0.251 6.252 1.00 1.47 H new ATOM 0 HE2 MET A 145 2.386 -0.432 7.001 1.00 1.47 H new ATOM 0 HE3 MET A 145 1.652 1.182 6.849 1.00 1.47 H new ATOM 2175 N THR A 146 5.953 0.638 8.662 1.00 0.68 N ATOM 2176 CA THR A 146 5.636 1.141 9.992 1.00 0.74 C ATOM 2177 C THR A 146 6.812 1.910 10.593 1.00 0.81 C ATOM 2178 O THR A 146 6.632 2.971 11.193 1.00 0.94 O ATOM 2179 CB THR A 146 5.258 -0.016 10.937 1.00 0.89 C ATOM 2180 OG1 THR A 146 4.278 -0.856 10.310 1.00 0.93 O ATOM 2181 CG2 THR A 146 4.711 0.500 12.262 1.00 1.07 C ATOM 0 H THR A 146 6.088 -0.372 8.617 1.00 0.68 H new ATOM 0 HA THR A 146 4.789 1.818 9.885 1.00 0.74 H new ATOM 0 HB THR A 146 6.163 -0.588 11.142 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.382 -0.498 10.483 1.00 0.93 H new ATOM 0 HG21 THR A 146 4.455 -0.343 12.903 1.00 1.07 H new ATOM 0 HG22 THR A 146 5.466 1.113 12.753 1.00 1.07 H new ATOM 0 HG23 THR A 146 3.820 1.100 12.079 1.00 1.07 H new ATOM 2189 N ALA A 147 8.014 1.378 10.413 1.00 0.91 N ATOM 2190 CA ALA A 147 9.211 2.006 10.954 1.00 1.05 C ATOM 2191 C ALA A 147 9.944 2.796 9.878 1.00 1.22 C ATOM 2192 O ALA A 147 9.336 3.228 8.894 1.00 1.28 O ATOM 2193 CB ALA A 147 10.130 0.953 11.561 1.00 1.33 C ATOM 0 H ALA A 147 8.185 0.515 9.897 1.00 0.91 H new ATOM 0 HA ALA A 147 8.909 2.701 11.737 1.00 1.05 H new ATOM 0 HB1 ALA A 147 11.021 1.436 11.962 1.00 1.33 H new ATOM 0 HB2 ALA A 147 9.607 0.433 12.363 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.420 0.237 10.792 1.00 1.33 H new ATOM 2200 N MET B 1 -10.521 -0.891 1.561 1.00 1.22 N ATOM 2201 CA MET B 1 -9.087 -1.274 1.464 1.00 0.87 C ATOM 2202 C MET B 1 -8.536 -0.984 0.074 1.00 0.74 C ATOM 2203 O MET B 1 -7.356 -1.184 -0.187 1.00 0.83 O ATOM 2204 CB MET B 1 -8.880 -2.749 1.836 1.00 1.06 C ATOM 2205 CG MET B 1 -9.239 -3.733 0.741 1.00 1.77 C ATOM 2206 SD MET B 1 -8.497 -5.360 0.995 1.00 2.30 S ATOM 2207 CE MET B 1 -9.214 -5.836 2.569 1.00 2.55 C ATOM 0 H1 MET B 1 -10.795 -0.823 2.562 1.00 1.22 H new ATOM 0 H2 MET B 1 -10.667 0.029 1.099 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.105 -1.611 1.090 1.00 1.22 H new ATOM 0 HA MET B 1 -8.534 -0.667 2.180 1.00 0.87 H new ATOM 0 HB2 MET B 1 -7.836 -2.897 2.111 1.00 1.06 H new ATOM 0 HB3 MET B 1 -9.478 -2.975 2.719 1.00 1.06 H new ATOM 0 HG2 MET B 1 -10.323 -3.836 0.692 1.00 1.77 H new ATOM 0 HG3 MET B 1 -8.913 -3.336 -0.220 1.00 1.77 H new ATOM 0 HE1 MET B 1 -9.195 -6.922 2.664 1.00 2.55 H new ATOM 0 HE2 MET B 1 -8.639 -5.391 3.381 1.00 2.55 H new ATOM 0 HE3 MET B 1 -10.245 -5.485 2.620 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.403 -0.540 -0.820 1.00 0.76 N ATOM 2220 CA ASP B 2 -9.019 -0.220 -2.187 1.00 0.78 C ATOM 2221 C ASP B 2 -8.302 1.124 -2.227 1.00 0.70 C ATOM 2222 O ASP B 2 -7.075 1.192 -2.384 1.00 0.70 O ATOM 2223 CB ASP B 2 -10.273 -0.168 -3.070 1.00 0.98 C ATOM 2224 CG ASP B 2 -11.560 -0.177 -2.260 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.631 0.557 -1.237 1.00 1.88 O ATOM 2226 OD2 ASP B 2 -12.483 -0.926 -2.620 1.00 1.67 O ATOM 0 H ASP B 2 -10.392 -0.391 -0.620 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.344 -0.990 -2.560 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.242 0.731 -3.686 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -10.270 -1.020 -3.750 1.00 0.98 H new ATOM 2231 N CYS B 3 -9.063 2.192 -2.043 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.504 3.532 -2.037 1.00 0.57 C ATOM 2233 C CYS B 3 -7.566 3.677 -0.828 1.00 0.57 C ATOM 2234 O CYS B 3 -6.613 4.469 -0.832 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.642 4.562 -2.020 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.741 4.470 -3.469 1.00 0.42 S ATOM 0 H CYS B 3 -10.072 2.155 -1.896 1.00 0.64 H new ATOM 0 HA CYS B 3 -7.918 3.711 -2.938 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.235 4.419 -1.117 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.213 5.562 -1.965 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.026 4.360 -4.549 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.829 2.852 0.180 1.00 0.59 N ATOM 2243 CA LEU B 4 -7.031 2.820 1.404 1.00 0.61 C ATOM 2244 C LEU B 4 -5.620 2.318 1.095 1.00 0.57 C ATOM 2245 O LEU B 4 -4.638 2.960 1.461 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.695 1.883 2.430 1.00 0.67 C ATOM 2247 CG LEU B 4 -8.100 2.491 3.785 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -7.005 3.377 4.364 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -9.403 3.251 3.676 1.00 1.25 C ATOM 0 H LEU B 4 -8.601 2.186 0.173 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.971 3.828 1.815 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.588 1.459 1.971 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.012 1.056 2.622 1.00 0.67 H new ATOM 0 HG LEU B 4 -8.245 1.660 4.475 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -7.334 3.785 5.320 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -6.101 2.787 4.513 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.795 4.194 3.674 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -9.663 3.669 4.649 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -9.294 4.058 2.952 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -10.193 2.574 3.349 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.526 1.180 0.391 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.227 0.591 0.041 1.00 0.57 C ATOM 2263 C CYS B 5 -3.454 1.504 -0.896 1.00 0.59 C ATOM 2264 O CYS B 5 -2.230 1.427 -0.960 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.398 -0.810 -0.571 1.00 0.61 C ATOM 2266 SG CYS B 5 -4.963 -0.863 -2.296 1.00 0.60 S ATOM 0 H CYS B 5 -6.331 0.652 0.055 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.651 0.483 0.960 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.443 -1.332 -0.506 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.108 -1.367 0.040 1.00 0.61 H new ATOM 0 HG CYS B 5 -5.667 0.199 -2.555 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.156 2.365 -1.633 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.476 3.314 -2.507 1.00 0.61 C ATOM 2274 C ILE B 6 -2.672 4.279 -1.639 1.00 0.58 C ATOM 2275 O ILE B 6 -1.525 4.599 -1.955 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.460 4.081 -3.431 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.654 3.302 -4.747 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -3.972 5.507 -3.701 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -4.999 4.161 -5.940 1.00 0.53 C ATOM 0 H ILE B 6 -5.174 2.424 -1.642 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.811 2.763 -3.171 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.422 4.160 -2.925 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.740 2.750 -4.965 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.445 2.566 -4.605 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.683 6.018 -4.351 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -3.889 6.048 -2.758 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -2.997 5.472 -4.186 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.117 3.530 -6.821 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.930 4.694 -5.748 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.199 4.881 -6.114 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.269 4.716 -0.524 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.572 5.609 0.402 1.00 0.51 C ATOM 2293 C VAL B 7 -1.388 4.867 1.041 1.00 0.52 C ATOM 2294 O VAL B 7 -0.315 5.441 1.236 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.498 6.176 1.521 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -2.896 7.435 2.127 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.894 6.482 0.991 1.00 0.56 C ATOM 0 H VAL B 7 -4.219 4.469 -0.246 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.222 6.460 -0.182 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.583 5.409 2.291 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.557 7.816 2.906 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -1.923 7.201 2.559 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.777 8.191 1.351 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.512 6.875 1.798 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.826 7.221 0.193 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.344 5.569 0.602 1.00 0.56 H new ATOM 2307 N THR B 8 -1.589 3.581 1.342 1.00 0.51 N ATOM 2308 CA THR B 8 -0.539 2.751 1.940 1.00 0.52 C ATOM 2309 C THR B 8 0.578 2.481 0.940 1.00 0.58 C ATOM 2310 O THR B 8 1.760 2.526 1.285 1.00 0.62 O ATOM 2311 CB THR B 8 -1.120 1.412 2.441 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.506 1.580 2.745 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.377 0.926 3.683 1.00 0.63 C ATOM 0 H THR B 8 -2.469 3.092 1.181 1.00 0.51 H new ATOM 0 HA THR B 8 -0.127 3.299 2.787 1.00 0.52 H new ATOM 0 HB THR B 8 -1.000 0.666 1.656 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.797 0.867 3.351 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.805 -0.019 4.017 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.677 0.783 3.444 1.00 0.63 H new ATOM 0 HG23 THR B 8 -0.471 1.667 4.477 1.00 0.63 H new ATOM 2321 N THR B 9 0.198 2.216 -0.302 1.00 0.63 N ATOM 2322 CA THR B 9 1.156 1.971 -1.367 1.00 0.70 C ATOM 2323 C THR B 9 1.994 3.218 -1.555 1.00 0.73 C ATOM 2324 O THR B 9 3.182 3.150 -1.852 1.00 0.78 O ATOM 2325 CB THR B 9 0.433 1.624 -2.692 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.353 0.444 -2.512 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.417 1.407 -3.840 1.00 0.71 C ATOM 0 H THR B 9 -0.777 2.165 -0.597 1.00 0.63 H new ATOM 0 HA THR B 9 1.787 1.125 -1.095 1.00 0.70 H new ATOM 0 HB THR B 9 -0.204 2.469 -2.953 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.110 0.642 -1.923 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.867 1.166 -4.750 1.00 0.71 H new ATOM 0 HG22 THR B 9 1.999 2.315 -3.997 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.088 0.585 -3.593 1.00 0.71 H new ATOM 2335 N LYS B 10 1.357 4.357 -1.332 1.00 0.74 N ATOM 2336 CA LYS B 10 2.024 5.634 -1.450 1.00 0.80 C ATOM 2337 C LYS B 10 3.048 5.787 -0.333 1.00 0.81 C ATOM 2338 O LYS B 10 4.159 6.232 -0.579 1.00 0.87 O ATOM 2339 CB LYS B 10 0.999 6.771 -1.400 1.00 0.82 C ATOM 2340 CG LYS B 10 1.364 7.968 -2.265 1.00 1.07 C ATOM 2341 CD LYS B 10 2.612 8.683 -1.767 1.00 1.51 C ATOM 2342 CE LYS B 10 2.838 9.973 -2.532 1.00 1.88 C ATOM 2343 NZ LYS B 10 4.095 10.665 -2.136 1.00 2.03 N ATOM 0 H LYS B 10 0.374 4.418 -1.067 1.00 0.74 H new ATOM 0 HA LYS B 10 2.542 5.680 -2.408 1.00 0.80 H new ATOM 0 HB2 LYS B 10 0.030 6.387 -1.718 1.00 0.82 H new ATOM 0 HB3 LYS B 10 0.888 7.102 -0.367 1.00 0.82 H new ATOM 0 HG2 LYS B 10 1.523 7.637 -3.291 1.00 1.07 H new ATOM 0 HG3 LYS B 10 0.529 8.669 -2.282 1.00 1.07 H new ATOM 0 HD2 LYS B 10 2.512 8.899 -0.703 1.00 1.51 H new ATOM 0 HD3 LYS B 10 3.479 8.032 -1.880 1.00 1.51 H new ATOM 0 HE2 LYS B 10 2.869 9.756 -3.600 1.00 1.88 H new ATOM 0 HE3 LYS B 10 1.993 10.641 -2.366 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 3.968 11.693 -2.226 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 4.325 10.429 -1.150 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 4.871 10.357 -2.756 1.00 2.03 H new ATOM 2357 N LYS B 11 2.667 5.413 0.887 1.00 0.77 N ATOM 2358 CA LYS B 11 3.568 5.499 2.040 1.00 0.79 C ATOM 2359 C LYS B 11 4.766 4.588 1.808 1.00 0.82 C ATOM 2360 O LYS B 11 5.907 4.988 2.013 1.00 0.89 O ATOM 2361 CB LYS B 11 2.837 5.084 3.328 1.00 0.74 C ATOM 2362 CG LYS B 11 3.258 5.860 4.582 1.00 0.73 C ATOM 2363 CD LYS B 11 4.346 5.130 5.373 1.00 0.86 C ATOM 2364 CE LYS B 11 4.866 5.974 6.533 1.00 1.02 C ATOM 2365 NZ LYS B 11 6.090 5.389 7.160 1.00 1.32 N ATOM 0 H LYS B 11 1.740 5.047 1.105 1.00 0.77 H new ATOM 0 HA LYS B 11 3.905 6.529 2.153 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.765 5.214 3.179 1.00 0.74 H new ATOM 0 HB3 LYS B 11 3.008 4.021 3.500 1.00 0.74 H new ATOM 0 HG2 LYS B 11 3.621 6.846 4.293 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.388 6.015 5.221 1.00 0.73 H new ATOM 0 HD2 LYS B 11 3.948 4.191 5.757 1.00 0.86 H new ATOM 0 HD3 LYS B 11 5.172 4.878 4.708 1.00 0.86 H new ATOM 0 HE2 LYS B 11 5.089 6.979 6.176 1.00 1.02 H new ATOM 0 HE3 LYS B 11 4.085 6.070 7.287 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 6.345 5.941 8.004 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 5.902 4.404 7.435 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 6.875 5.415 6.479 1.00 1.32 H new ATOM 2379 N TYR B 12 4.490 3.369 1.357 1.00 0.78 N ATOM 2380 CA TYR B 12 5.543 2.405 1.067 1.00 0.81 C ATOM 2381 C TYR B 12 6.430 2.930 -0.059 1.00 0.95 C ATOM 2382 O TYR B 12 7.644 2.945 0.055 1.00 1.01 O ATOM 2383 CB TYR B 12 4.950 1.036 0.684 1.00 0.78 C ATOM 2384 CG TYR B 12 6.007 0.008 0.313 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.799 -0.598 1.287 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.233 -0.333 -1.014 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.777 -1.513 0.945 1.00 0.78 C ATOM 2388 CE2 TYR B 12 7.219 -1.238 -1.366 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.989 -1.825 -0.384 1.00 1.01 C ATOM 2390 OH TYR B 12 8.990 -2.707 -0.737 1.00 1.17 O ATOM 0 H TYR B 12 3.545 3.026 1.185 1.00 0.78 H new ATOM 0 HA TYR B 12 6.145 2.272 1.966 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.360 0.656 1.518 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.267 1.165 -0.156 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.646 -0.348 2.327 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.627 0.117 -1.787 1.00 1.14 H new ATOM 0 HE1 TYR B 12 8.373 -1.982 1.714 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.385 -1.483 -2.405 1.00 1.21 H new ATOM 0 HH TYR B 12 9.002 -2.816 -1.711 1.00 1.17 H new ATOM 2400 N ARG B 13 5.795 3.426 -1.116 1.00 1.05 N ATOM 2401 CA ARG B 13 6.505 3.945 -2.286 1.00 1.20 C ATOM 2402 C ARG B 13 7.202 5.276 -1.966 1.00 1.27 C ATOM 2403 O ARG B 13 7.943 5.814 -2.783 1.00 1.46 O ATOM 2404 CB ARG B 13 5.497 4.110 -3.437 1.00 1.27 C ATOM 2405 CG ARG B 13 6.074 3.926 -4.840 1.00 1.21 C ATOM 2406 CD ARG B 13 4.960 3.947 -5.884 1.00 1.62 C ATOM 2407 NE ARG B 13 5.189 4.944 -6.938 1.00 2.12 N ATOM 2408 CZ ARG B 13 5.172 6.265 -6.744 1.00 2.44 C ATOM 2409 NH1 ARG B 13 4.903 6.764 -5.539 1.00 2.69 N ATOM 2410 NH2 ARG B 13 5.387 7.087 -7.764 1.00 3.10 N ATOM 0 H ARG B 13 4.779 3.481 -1.189 1.00 1.05 H new ATOM 0 HA ARG B 13 7.284 3.242 -2.581 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.689 3.392 -3.297 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.055 5.104 -3.371 1.00 1.27 H new ATOM 0 HG2 ARG B 13 6.793 4.718 -5.051 1.00 1.21 H new ATOM 0 HG3 ARG B 13 6.615 2.981 -4.896 1.00 1.21 H new ATOM 0 HD2 ARG B 13 4.873 2.959 -6.337 1.00 1.62 H new ATOM 0 HD3 ARG B 13 4.010 4.156 -5.392 1.00 1.62 H new ATOM 0 HE ARG B 13 5.373 4.604 -7.882 1.00 2.12 H new ATOM 0 HH11 ARG B 13 4.709 6.136 -4.759 1.00 2.69 H new ATOM 0 HH12 ARG B 13 4.891 7.774 -5.396 1.00 2.69 H new ATOM 0 HH21 ARG B 13 5.565 6.709 -8.695 1.00 3.10 H new ATOM 0 HH22 ARG B 13 5.374 8.096 -7.617 1.00 3.10 H new ATOM 2424 N TYR B 14 6.862 5.847 -0.821 1.00 1.21 N ATOM 2425 CA TYR B 14 7.465 7.089 -0.360 1.00 1.29 C ATOM 2426 C TYR B 14 8.504 6.793 0.706 1.00 1.32 C ATOM 2427 O TYR B 14 9.220 7.682 1.164 1.00 1.47 O ATOM 2428 CB TYR B 14 6.394 8.048 0.145 1.00 1.24 C ATOM 2429 CG TYR B 14 6.832 9.495 0.230 1.00 1.21 C ATOM 2430 CD1 TYR B 14 7.151 10.217 -0.919 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.896 10.148 1.454 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.512 11.551 -0.843 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.264 11.477 1.536 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.568 12.175 0.386 1.00 1.28 C ATOM 2435 OH TYR B 14 7.909 13.508 0.458 1.00 1.38 O ATOM 0 H TYR B 14 6.162 5.464 -0.186 1.00 1.21 H new ATOM 0 HA TYR B 14 7.969 7.577 -1.195 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.527 7.983 -0.513 1.00 1.24 H new ATOM 0 HB3 TYR B 14 6.070 7.722 1.133 1.00 1.24 H new ATOM 0 HD1 TYR B 14 7.116 9.729 -1.882 1.00 1.23 H new ATOM 0 HD2 TYR B 14 6.654 9.608 2.357 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.749 12.101 -1.742 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.313 11.968 2.497 1.00 1.30 H new ATOM 0 HH TYR B 14 7.902 13.797 1.394 1.00 1.38 H new ATOM 2445 N GLN B 15 8.530 5.545 1.137 1.00 1.21 N ATOM 2446 CA GLN B 15 9.458 5.110 2.156 1.00 1.23 C ATOM 2447 C GLN B 15 10.851 4.986 1.564 1.00 1.37 C ATOM 2448 O GLN B 15 11.840 5.320 2.220 1.00 1.37 O ATOM 2449 CB GLN B 15 9.000 3.785 2.761 1.00 1.12 C ATOM 2450 CG GLN B 15 9.493 3.561 4.180 1.00 1.04 C ATOM 2451 CD GLN B 15 9.294 4.774 5.069 1.00 1.16 C ATOM 2452 OE1 GLN B 15 8.224 4.965 5.648 1.00 1.25 O ATOM 2453 NE2 GLN B 15 10.327 5.596 5.193 1.00 1.41 N ATOM 0 H GLN B 15 7.911 4.811 0.791 1.00 1.21 H new ATOM 0 HA GLN B 15 9.486 5.851 2.955 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.911 3.749 2.754 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.350 2.967 2.131 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.968 2.709 4.612 1.00 1.04 H new ATOM 0 HG3 GLN B 15 10.552 3.304 4.156 1.00 1.04 H new ATOM 0 HE21 GLN B 15 11.196 5.401 4.696 1.00 1.41 H new ATOM 0 HE22 GLN B 15 10.252 6.423 5.786 1.00 1.41 H new ATOM 2462 N ASP B 16 10.915 4.499 0.321 1.00 1.59 N ATOM 2463 CA ASP B 16 12.186 4.369 -0.397 1.00 1.76 C ATOM 2464 C ASP B 16 12.902 5.719 -0.427 1.00 1.96 C ATOM 2465 O ASP B 16 14.129 5.802 -0.312 1.00 2.05 O ATOM 2466 CB ASP B 16 11.955 3.869 -1.829 1.00 2.09 C ATOM 2467 CG ASP B 16 13.208 3.959 -2.691 1.00 2.24 C ATOM 2468 OD1 ASP B 16 14.067 3.051 -2.616 1.00 2.65 O ATOM 2469 OD2 ASP B 16 13.349 4.951 -3.443 1.00 2.32 O ATOM 0 H ASP B 16 10.101 4.188 -0.209 1.00 1.59 H new ATOM 0 HA ASP B 16 12.806 3.640 0.125 1.00 1.76 H new ATOM 0 HB2 ASP B 16 11.614 2.834 -1.798 1.00 2.09 H new ATOM 0 HB3 ASP B 16 11.159 4.454 -2.290 1.00 2.09 H new ATOM 2474 N GLU B 17 12.116 6.777 -0.582 1.00 2.16 N ATOM 2475 CA GLU B 17 12.638 8.132 -0.602 1.00 2.48 C ATOM 2476 C GLU B 17 12.957 8.573 0.829 1.00 2.44 C ATOM 2477 O GLU B 17 12.112 9.143 1.521 1.00 2.36 O ATOM 2478 CB GLU B 17 11.610 9.074 -1.251 1.00 2.75 C ATOM 2479 CG GLU B 17 12.088 10.507 -1.429 1.00 3.19 C ATOM 2480 CD GLU B 17 13.273 10.617 -2.360 1.00 3.49 C ATOM 2481 OE1 GLU B 17 14.393 10.257 -1.948 1.00 3.62 O ATOM 2482 OE2 GLU B 17 13.083 11.059 -3.511 1.00 4.01 O ATOM 0 H GLU B 17 11.104 6.718 -0.697 1.00 2.16 H new ATOM 0 HA GLU B 17 13.555 8.168 -1.191 1.00 2.48 H new ATOM 0 HB2 GLU B 17 11.334 8.673 -2.226 1.00 2.75 H new ATOM 0 HB3 GLU B 17 10.706 9.079 -0.642 1.00 2.75 H new ATOM 0 HG2 GLU B 17 11.269 11.113 -1.817 1.00 3.19 H new ATOM 0 HG3 GLU B 17 12.356 10.919 -0.456 1.00 3.19 H new ATOM 2489 N ASP B 18 14.172 8.270 1.273 1.00 2.66 N ATOM 2490 CA ASP B 18 14.620 8.613 2.621 1.00 2.76 C ATOM 2491 C ASP B 18 16.138 8.654 2.690 1.00 3.15 C ATOM 2492 O ASP B 18 16.730 9.648 3.106 1.00 3.44 O ATOM 2493 CB ASP B 18 14.098 7.598 3.639 1.00 2.70 C ATOM 2494 CG ASP B 18 14.667 7.828 5.024 1.00 2.54 C ATOM 2495 OD1 ASP B 18 14.178 8.735 5.727 1.00 2.74 O ATOM 2496 OD2 ASP B 18 15.602 7.098 5.415 1.00 2.45 O ATOM 0 H ASP B 18 14.872 7.782 0.714 1.00 2.66 H new ATOM 0 HA ASP B 18 14.223 9.599 2.860 1.00 2.76 H new ATOM 0 HB2 ASP B 18 13.010 7.656 3.681 1.00 2.70 H new ATOM 0 HB3 ASP B 18 14.351 6.591 3.307 1.00 2.70 H new ATOM 2501 N THR B 19 16.759 7.553 2.303 1.00 3.25 N ATOM 2502 CA THR B 19 18.204 7.453 2.302 1.00 3.64 C ATOM 2503 C THR B 19 18.752 7.671 0.893 1.00 4.26 C ATOM 2504 O THR B 19 18.756 6.711 0.094 1.00 4.48 O ATOM 2505 CB THR B 19 18.648 6.081 2.831 1.00 3.58 C ATOM 2506 OG1 THR B 19 17.803 5.692 3.925 1.00 3.24 O ATOM 2507 CG2 THR B 19 20.093 6.123 3.297 1.00 3.63 C ATOM 0 H THR B 19 16.279 6.712 1.984 1.00 3.25 H new ATOM 0 HA THR B 19 18.601 8.227 2.958 1.00 3.64 H new ATOM 0 HB THR B 19 18.565 5.355 2.022 1.00 3.58 H new ATOM 0 HG1 THR B 19 18.086 4.816 4.261 1.00 3.24 H new ATOM 0 HG21 THR B 19 20.385 5.140 3.667 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.736 6.402 2.463 1.00 3.63 H new ATOM 0 HG23 THR B 19 20.196 6.857 4.096 1.00 3.63 H new