USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot -119:sc= 0.263! USER MOD Set 1.2: A 78 GLN : amide:sc= -2.6! C(o=-2.3!,f=-3.8!) USER MOD Set 2.1: A 32 CYS SG : rot 150:sc= -0.176 USER MOD Set 2.2: A 35 CYS SG : rot 83:sc= -0.242! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00896 USER MOD Single : A 12 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -0.063 (180deg=-0.47) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= -0.811 (180deg=-2.23!) USER MOD Single : A 43 HIS : no HE2:sc= 0.69 K(o=0.69,f=-3.9!) USER MOD Single : A 44 SER OG : rot 132:sc= 1.04 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.47) USER MOD Single : A 62 CYS SG : rot -63:sc= 0.355 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 67 SER OG : rot -18:sc= 0.139! USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.951 (180deg=-1.59) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : A 76 THR OG1 : rot 108:sc= 1.15 USER MOD Single : A 81 LYS NZ :NH3+ 156:sc=-0.00168 (180deg=-0.78) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.127 (180deg=-0.691) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 76:sc= 0.0473 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0.088) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.708 -0.237 8.430 1.00 0.60 N ATOM 21 CA VAL A 2 -3.322 0.107 7.997 1.00 0.49 C ATOM 22 C VAL A 2 -2.299 -0.650 8.847 1.00 0.65 C ATOM 23 O VAL A 2 -2.345 -0.613 10.061 1.00 0.87 O ATOM 24 CB VAL A 2 -3.109 1.610 8.153 1.00 0.79 C ATOM 25 CG1 VAL A 2 -1.678 1.959 7.743 1.00 0.94 C ATOM 26 CG2 VAL A 2 -4.086 2.351 7.241 1.00 0.80 C ATOM 0 HA VAL A 2 -3.189 -0.179 6.954 1.00 0.49 H new ATOM 0 HB VAL A 2 -3.277 1.901 9.190 1.00 0.79 H new ATOM 0 HG11 VAL A 2 -1.520 3.032 7.852 1.00 0.94 H new ATOM 0 HG12 VAL A 2 -0.976 1.422 8.380 1.00 0.94 H new ATOM 0 HG13 VAL A 2 -1.517 1.673 6.704 1.00 0.94 H new ATOM 0 HG21 VAL A 2 -3.939 3.426 7.347 1.00 0.80 H new ATOM 0 HG22 VAL A 2 -3.908 2.061 6.205 1.00 0.80 H new ATOM 0 HG23 VAL A 2 -5.108 2.095 7.519 1.00 0.80 H new ATOM 36 N LYS A 3 -1.396 -1.322 8.188 1.00 0.63 N ATOM 37 CA LYS A 3 -0.360 -2.093 8.937 1.00 0.92 C ATOM 38 C LYS A 3 0.974 -2.049 8.186 1.00 0.68 C ATOM 39 O LYS A 3 1.005 -2.011 6.972 1.00 0.37 O ATOM 40 CB LYS A 3 -0.821 -3.544 9.074 1.00 1.19 C ATOM 41 CG LYS A 3 0.145 -4.294 9.995 1.00 1.47 C ATOM 42 CD LYS A 3 -0.451 -5.663 10.335 1.00 1.42 C ATOM 43 CE LYS A 3 0.585 -6.483 11.106 1.00 1.93 C ATOM 44 NZ LYS A 3 1.551 -7.120 10.167 1.00 2.33 N ATOM 0 H LYS A 3 -1.329 -1.372 7.171 1.00 0.63 H new ATOM 0 HA LYS A 3 -0.224 -1.651 9.924 1.00 0.92 H new ATOM 0 HB2 LYS A 3 -1.832 -3.580 9.480 1.00 1.19 H new ATOM 0 HB3 LYS A 3 -0.854 -4.022 8.095 1.00 1.19 H new ATOM 0 HG2 LYS A 3 1.112 -4.415 9.507 1.00 1.47 H new ATOM 0 HG3 LYS A 3 0.317 -3.722 10.906 1.00 1.47 H new ATOM 0 HD2 LYS A 3 -1.355 -5.542 10.932 1.00 1.42 H new ATOM 0 HD3 LYS A 3 -0.740 -6.184 9.422 1.00 1.42 H new ATOM 0 HE2 LYS A 3 1.119 -5.840 11.805 1.00 1.93 H new ATOM 0 HE3 LYS A 3 0.084 -7.250 11.697 1.00 1.93 H new ATOM 0 HZ1 LYS A 3 2.247 -7.673 10.707 1.00 2.33 H new ATOM 0 HZ2 LYS A 3 1.039 -7.749 9.516 1.00 2.33 H new ATOM 0 HZ3 LYS A 3 2.042 -6.383 9.621 1.00 2.33 H new ATOM 58 N GLN A 4 2.050 -2.054 8.924 1.00 0.87 N ATOM 59 CA GLN A 4 3.389 -2.010 8.268 1.00 0.69 C ATOM 60 C GLN A 4 3.945 -3.430 8.100 1.00 0.64 C ATOM 61 O GLN A 4 3.675 -4.304 8.900 1.00 0.76 O ATOM 62 CB GLN A 4 4.344 -1.188 9.134 1.00 0.86 C ATOM 63 CG GLN A 4 5.657 -0.980 8.377 1.00 0.88 C ATOM 64 CD GLN A 4 6.502 0.064 9.110 1.00 0.92 C ATOM 65 OE1 GLN A 4 6.157 1.227 9.171 1.00 1.71 O ATOM 66 NE2 GLN A 4 7.615 -0.309 9.680 1.00 1.19 N ATOM 0 H GLN A 4 2.062 -2.086 9.943 1.00 0.87 H new ATOM 0 HA GLN A 4 3.291 -1.552 7.284 1.00 0.69 H new ATOM 0 HB2 GLN A 4 3.895 -0.225 9.379 1.00 0.86 H new ATOM 0 HB3 GLN A 4 4.532 -1.701 10.077 1.00 0.86 H new ATOM 0 HG2 GLN A 4 6.202 -1.921 8.306 1.00 0.88 H new ATOM 0 HG3 GLN A 4 5.455 -0.651 7.358 1.00 0.88 H new ATOM 0 HE21 GLN A 4 7.910 -1.284 9.633 1.00 1.19 H new ATOM 0 HE22 GLN A 4 8.189 0.375 10.173 1.00 1.19 H new ATOM 75 N ILE A 5 4.708 -3.626 7.060 1.00 0.51 N ATOM 76 CA ILE A 5 5.292 -4.980 6.822 1.00 0.55 C ATOM 77 C ILE A 5 6.695 -5.059 7.440 1.00 0.59 C ATOM 78 O ILE A 5 7.141 -4.131 8.087 1.00 0.65 O ATOM 79 CB ILE A 5 5.379 -5.219 5.305 1.00 0.46 C ATOM 80 CG1 ILE A 5 4.020 -4.881 4.657 1.00 0.42 C ATOM 81 CG2 ILE A 5 5.753 -6.691 5.019 1.00 0.57 C ATOM 82 CD1 ILE A 5 2.895 -5.654 5.357 1.00 0.63 C ATOM 0 H ILE A 5 4.952 -2.916 6.370 1.00 0.51 H new ATOM 0 HA ILE A 5 4.662 -5.741 7.283 1.00 0.55 H new ATOM 0 HB ILE A 5 6.151 -4.577 4.882 1.00 0.46 H new ATOM 0 HG12 ILE A 5 3.832 -3.809 4.725 1.00 0.42 H new ATOM 0 HG13 ILE A 5 4.041 -5.134 3.597 1.00 0.42 H new ATOM 0 HG21 ILE A 5 5.812 -6.849 3.942 1.00 0.57 H new ATOM 0 HG22 ILE A 5 6.719 -6.916 5.472 1.00 0.57 H new ATOM 0 HG23 ILE A 5 4.993 -7.348 5.441 1.00 0.57 H new ATOM 0 HD11 ILE A 5 1.940 -5.408 4.892 1.00 0.63 H new ATOM 0 HD12 ILE A 5 3.078 -6.725 5.266 1.00 0.63 H new ATOM 0 HD13 ILE A 5 2.866 -5.379 6.411 1.00 0.63 H new ATOM 94 N GLU A 6 7.357 -6.169 7.228 1.00 0.58 N ATOM 95 CA GLU A 6 8.734 -6.330 7.793 1.00 0.64 C ATOM 96 C GLU A 6 9.659 -6.963 6.750 1.00 0.63 C ATOM 97 O GLU A 6 10.784 -6.540 6.574 1.00 0.70 O ATOM 98 CB GLU A 6 8.667 -7.232 9.026 1.00 0.56 C ATOM 99 CG GLU A 6 7.641 -6.666 10.010 1.00 1.90 C ATOM 100 CD GLU A 6 7.846 -7.313 11.382 1.00 1.70 C ATOM 101 OE1 GLU A 6 7.264 -8.368 11.575 1.00 1.88 O ATOM 102 OE2 GLU A 6 8.572 -6.716 12.159 1.00 2.13 O ATOM 0 H GLU A 6 7.008 -6.965 6.693 1.00 0.58 H new ATOM 0 HA GLU A 6 9.127 -5.351 8.069 1.00 0.64 H new ATOM 0 HB2 GLU A 6 8.389 -8.245 8.735 1.00 0.56 H new ATOM 0 HB3 GLU A 6 9.647 -7.294 9.500 1.00 0.56 H new ATOM 0 HG2 GLU A 6 7.751 -5.584 10.085 1.00 1.90 H new ATOM 0 HG3 GLU A 6 6.630 -6.860 9.651 1.00 1.90 H new ATOM 109 N SER A 7 9.164 -7.967 6.081 1.00 0.58 N ATOM 110 CA SER A 7 9.999 -8.642 5.043 1.00 0.61 C ATOM 111 C SER A 7 9.103 -9.261 3.967 1.00 0.57 C ATOM 112 O SER A 7 7.906 -9.055 3.960 1.00 0.53 O ATOM 113 CB SER A 7 10.832 -9.738 5.704 1.00 0.64 C ATOM 114 OG SER A 7 9.917 -10.807 5.887 1.00 0.34 O ATOM 0 H SER A 7 8.226 -8.348 6.205 1.00 0.58 H new ATOM 0 HA SER A 7 10.656 -7.907 4.577 1.00 0.61 H new ATOM 0 HB2 SER A 7 11.671 -10.035 5.075 1.00 0.64 H new ATOM 0 HB3 SER A 7 11.249 -9.403 6.654 1.00 0.64 H new ATOM 0 HG SER A 7 10.377 -11.562 6.310 1.00 0.34 H new ATOM 120 N LYS A 8 9.700 -10.008 3.081 1.00 0.59 N ATOM 121 CA LYS A 8 8.895 -10.648 1.999 1.00 0.55 C ATOM 122 C LYS A 8 8.034 -11.767 2.579 1.00 0.58 C ATOM 123 O LYS A 8 6.891 -11.946 2.196 1.00 0.45 O ATOM 124 CB LYS A 8 9.839 -11.221 0.945 1.00 0.56 C ATOM 125 CG LYS A 8 9.019 -11.966 -0.111 1.00 0.55 C ATOM 126 CD LYS A 8 9.888 -12.200 -1.347 1.00 0.74 C ATOM 127 CE LYS A 8 9.054 -12.900 -2.421 1.00 0.95 C ATOM 128 NZ LYS A 8 9.907 -13.815 -3.230 1.00 0.88 N ATOM 0 H LYS A 8 10.701 -10.203 3.057 1.00 0.59 H new ATOM 0 HA LYS A 8 8.243 -9.902 1.544 1.00 0.55 H new ATOM 0 HB2 LYS A 8 10.413 -10.420 0.479 1.00 0.56 H new ATOM 0 HB3 LYS A 8 10.556 -11.897 1.410 1.00 0.56 H new ATOM 0 HG2 LYS A 8 8.669 -12.918 0.288 1.00 0.55 H new ATOM 0 HG3 LYS A 8 8.135 -11.387 -0.377 1.00 0.55 H new ATOM 0 HD2 LYS A 8 10.267 -11.251 -1.725 1.00 0.74 H new ATOM 0 HD3 LYS A 8 10.754 -12.809 -1.088 1.00 0.74 H new ATOM 0 HE2 LYS A 8 8.247 -13.464 -1.953 1.00 0.95 H new ATOM 0 HE3 LYS A 8 8.589 -12.158 -3.070 1.00 0.95 H new ATOM 0 HZ1 LYS A 8 9.325 -14.282 -3.954 1.00 0.88 H new ATOM 0 HZ2 LYS A 8 10.662 -13.268 -3.692 1.00 0.88 H new ATOM 0 HZ3 LYS A 8 10.330 -14.534 -2.609 1.00 0.88 H new ATOM 142 N THR A 9 8.600 -12.494 3.489 1.00 0.77 N ATOM 143 CA THR A 9 7.844 -13.610 4.113 1.00 0.82 C ATOM 144 C THR A 9 6.507 -13.102 4.640 1.00 0.70 C ATOM 145 O THR A 9 5.511 -13.792 4.595 1.00 0.67 O ATOM 146 CB THR A 9 8.664 -14.189 5.267 1.00 0.98 C ATOM 147 OG1 THR A 9 9.929 -14.501 4.694 1.00 1.22 O ATOM 148 CG2 THR A 9 8.096 -15.523 5.743 1.00 0.90 C ATOM 0 H THR A 9 9.553 -12.367 3.830 1.00 0.77 H new ATOM 0 HA THR A 9 7.660 -14.384 3.368 1.00 0.82 H new ATOM 0 HB THR A 9 8.683 -13.485 6.099 1.00 0.98 H new ATOM 0 HG1 THR A 9 10.515 -14.879 5.382 1.00 1.22 H new ATOM 0 HG21 THR A 9 8.703 -15.905 6.563 1.00 0.90 H new ATOM 0 HG22 THR A 9 7.071 -15.380 6.086 1.00 0.90 H new ATOM 0 HG23 THR A 9 8.107 -16.238 4.920 1.00 0.90 H new ATOM 156 N ALA A 10 6.520 -11.900 5.126 1.00 0.67 N ATOM 157 CA ALA A 10 5.269 -11.311 5.667 1.00 0.58 C ATOM 158 C ALA A 10 4.373 -10.821 4.526 1.00 0.46 C ATOM 159 O ALA A 10 3.202 -11.132 4.479 1.00 0.41 O ATOM 160 CB ALA A 10 5.620 -10.139 6.578 1.00 0.66 C ATOM 0 H ALA A 10 7.342 -11.298 5.173 1.00 0.67 H new ATOM 0 HA ALA A 10 4.732 -12.073 6.231 1.00 0.58 H new ATOM 0 HB1 ALA A 10 4.705 -9.702 6.978 1.00 0.66 H new ATOM 0 HB2 ALA A 10 6.244 -10.491 7.400 1.00 0.66 H new ATOM 0 HB3 ALA A 10 6.163 -9.385 6.008 1.00 0.66 H new ATOM 166 N PHE A 11 4.944 -10.057 3.635 1.00 0.42 N ATOM 167 CA PHE A 11 4.137 -9.548 2.488 1.00 0.31 C ATOM 168 C PHE A 11 3.282 -10.683 1.915 1.00 0.29 C ATOM 169 O PHE A 11 2.250 -10.452 1.317 1.00 0.17 O ATOM 170 CB PHE A 11 5.088 -9.023 1.410 1.00 0.30 C ATOM 171 CG PHE A 11 4.285 -8.416 0.256 1.00 0.20 C ATOM 172 CD1 PHE A 11 3.579 -7.238 0.433 1.00 0.16 C ATOM 173 CD2 PHE A 11 4.253 -9.037 -0.981 1.00 0.21 C ATOM 174 CE1 PHE A 11 2.857 -6.691 -0.610 1.00 0.10 C ATOM 175 CE2 PHE A 11 3.531 -8.489 -2.022 1.00 0.17 C ATOM 176 CZ PHE A 11 2.835 -7.318 -1.837 1.00 0.10 C ATOM 0 H PHE A 11 5.921 -9.766 3.649 1.00 0.42 H new ATOM 0 HA PHE A 11 3.481 -8.745 2.824 1.00 0.31 H new ATOM 0 HB2 PHE A 11 5.754 -8.272 1.835 1.00 0.30 H new ATOM 0 HB3 PHE A 11 5.716 -9.834 1.041 1.00 0.30 H new ATOM 0 HD1 PHE A 11 3.593 -6.743 1.393 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.797 -9.957 -1.133 1.00 0.21 H new ATOM 0 HE1 PHE A 11 2.310 -5.772 -0.464 1.00 0.10 H new ATOM 0 HE2 PHE A 11 3.513 -8.981 -2.983 1.00 0.17 H new ATOM 0 HZ PHE A 11 2.271 -6.890 -2.653 1.00 0.10 H new ATOM 186 N GLN A 12 3.738 -11.891 2.116 1.00 0.42 N ATOM 187 CA GLN A 12 2.975 -13.066 1.597 1.00 0.45 C ATOM 188 C GLN A 12 1.751 -13.362 2.471 1.00 0.38 C ATOM 189 O GLN A 12 0.625 -13.223 2.036 1.00 0.45 O ATOM 190 CB GLN A 12 3.893 -14.288 1.576 1.00 0.63 C ATOM 191 CG GLN A 12 4.433 -14.488 0.158 1.00 0.39 C ATOM 192 CD GLN A 12 3.318 -15.036 -0.736 1.00 0.58 C ATOM 193 OE1 GLN A 12 2.197 -15.220 -0.307 1.00 1.78 O ATOM 194 NE2 GLN A 12 3.584 -15.307 -1.985 1.00 0.69 N ATOM 0 H GLN A 12 4.600 -12.115 2.614 1.00 0.42 H new ATOM 0 HA GLN A 12 2.627 -12.836 0.590 1.00 0.45 H new ATOM 0 HB2 GLN A 12 4.717 -14.150 2.276 1.00 0.63 H new ATOM 0 HB3 GLN A 12 3.346 -15.174 1.898 1.00 0.63 H new ATOM 0 HG2 GLN A 12 4.802 -13.543 -0.240 1.00 0.39 H new ATOM 0 HG3 GLN A 12 5.276 -15.179 0.172 1.00 0.39 H new ATOM 0 HE21 GLN A 12 4.524 -15.154 -2.351 1.00 0.69 H new ATOM 0 HE22 GLN A 12 2.852 -15.671 -2.595 1.00 0.69 H new ATOM 203 N GLU A 13 2.001 -13.765 3.682 1.00 0.36 N ATOM 204 CA GLU A 13 0.859 -14.099 4.594 1.00 0.31 C ATOM 205 C GLU A 13 -0.101 -12.913 4.716 1.00 0.27 C ATOM 206 O GLU A 13 -1.256 -13.083 5.055 1.00 0.40 O ATOM 207 CB GLU A 13 1.393 -14.476 5.981 1.00 0.44 C ATOM 208 CG GLU A 13 2.609 -13.614 6.314 1.00 1.50 C ATOM 209 CD GLU A 13 2.968 -13.797 7.790 1.00 2.15 C ATOM 210 OE1 GLU A 13 3.651 -14.769 8.065 1.00 1.96 O ATOM 211 OE2 GLU A 13 2.538 -12.953 8.559 1.00 3.08 O ATOM 0 H GLU A 13 2.932 -13.879 4.083 1.00 0.36 H new ATOM 0 HA GLU A 13 0.316 -14.944 4.171 1.00 0.31 H new ATOM 0 HB2 GLU A 13 0.616 -14.332 6.732 1.00 0.44 H new ATOM 0 HB3 GLU A 13 1.666 -15.531 6.002 1.00 0.44 H new ATOM 0 HG2 GLU A 13 3.453 -13.896 5.685 1.00 1.50 H new ATOM 0 HG3 GLU A 13 2.394 -12.566 6.107 1.00 1.50 H new ATOM 218 N ALA A 14 0.389 -11.737 4.441 1.00 0.10 N ATOM 219 CA ALA A 14 -0.498 -10.542 4.535 1.00 0.11 C ATOM 220 C ALA A 14 -1.524 -10.572 3.401 1.00 0.17 C ATOM 221 O ALA A 14 -2.646 -10.133 3.561 1.00 0.41 O ATOM 222 CB ALA A 14 0.351 -9.276 4.431 1.00 0.14 C ATOM 0 H ALA A 14 1.351 -11.551 4.159 1.00 0.10 H new ATOM 0 HA ALA A 14 -1.023 -10.550 5.490 1.00 0.11 H new ATOM 0 HB1 ALA A 14 -0.293 -8.399 4.499 1.00 0.14 H new ATOM 0 HB2 ALA A 14 1.077 -9.257 5.244 1.00 0.14 H new ATOM 0 HB3 ALA A 14 0.876 -9.267 3.476 1.00 0.14 H new ATOM 228 N LEU A 15 -1.114 -11.088 2.277 1.00 0.09 N ATOM 229 CA LEU A 15 -2.051 -11.171 1.122 1.00 0.11 C ATOM 230 C LEU A 15 -2.946 -12.400 1.278 1.00 0.05 C ATOM 231 O LEU A 15 -3.933 -12.551 0.586 1.00 0.09 O ATOM 232 CB LEU A 15 -1.240 -11.287 -0.173 1.00 0.20 C ATOM 233 CG LEU A 15 -0.462 -9.984 -0.411 1.00 0.16 C ATOM 234 CD1 LEU A 15 0.432 -10.154 -1.639 1.00 0.26 C ATOM 235 CD2 LEU A 15 -1.438 -8.826 -0.658 1.00 0.27 C ATOM 0 H LEU A 15 -0.177 -11.454 2.108 1.00 0.09 H new ATOM 0 HA LEU A 15 -2.673 -10.276 1.087 1.00 0.11 H new ATOM 0 HB2 LEU A 15 -0.550 -12.128 -0.108 1.00 0.20 H new ATOM 0 HB3 LEU A 15 -1.905 -11.485 -1.014 1.00 0.20 H new ATOM 0 HG LEU A 15 0.143 -9.762 0.468 1.00 0.16 H new ATOM 0 HD11 LEU A 15 0.988 -9.233 -1.815 1.00 0.26 H new ATOM 0 HD12 LEU A 15 1.131 -10.973 -1.470 1.00 0.26 H new ATOM 0 HD13 LEU A 15 -0.184 -10.377 -2.510 1.00 0.26 H new ATOM 0 HD21 LEU A 15 -0.877 -7.907 -0.826 1.00 0.27 H new ATOM 0 HD22 LEU A 15 -2.047 -9.044 -1.535 1.00 0.27 H new ATOM 0 HD23 LEU A 15 -2.084 -8.703 0.211 1.00 0.27 H new ATOM 247 N ASP A 16 -2.575 -13.255 2.191 1.00 0.04 N ATOM 248 CA ASP A 16 -3.389 -14.484 2.420 1.00 0.11 C ATOM 249 C ASP A 16 -4.370 -14.254 3.569 1.00 0.17 C ATOM 250 O ASP A 16 -5.379 -14.921 3.674 1.00 0.25 O ATOM 251 CB ASP A 16 -2.460 -15.646 2.767 1.00 0.17 C ATOM 252 CG ASP A 16 -3.161 -16.967 2.446 1.00 0.19 C ATOM 253 OD1 ASP A 16 -3.989 -17.352 3.257 1.00 0.99 O ATOM 254 OD2 ASP A 16 -2.831 -17.518 1.409 1.00 0.78 O ATOM 0 H ASP A 16 -1.751 -13.158 2.784 1.00 0.04 H new ATOM 0 HA ASP A 16 -3.950 -14.718 1.515 1.00 0.11 H new ATOM 0 HB2 ASP A 16 -1.532 -15.566 2.201 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.193 -15.610 3.823 1.00 0.17 H new ATOM 259 N ALA A 17 -4.049 -13.311 4.407 1.00 0.15 N ATOM 260 CA ALA A 17 -4.949 -13.015 5.558 1.00 0.22 C ATOM 261 C ALA A 17 -5.910 -11.880 5.193 1.00 0.24 C ATOM 262 O ALA A 17 -6.862 -11.615 5.900 1.00 0.35 O ATOM 263 CB ALA A 17 -4.104 -12.601 6.762 1.00 0.31 C ATOM 0 H ALA A 17 -3.209 -12.735 4.348 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.528 -13.906 5.802 1.00 0.22 H new ATOM 0 HB1 ALA A 17 -4.757 -12.383 7.607 1.00 0.31 H new ATOM 0 HB2 ALA A 17 -3.426 -13.412 7.027 1.00 0.31 H new ATOM 0 HB3 ALA A 17 -3.525 -11.712 6.512 1.00 0.31 H new ATOM 269 N ALA A 18 -5.637 -11.235 4.092 1.00 0.21 N ATOM 270 CA ALA A 18 -6.521 -10.115 3.658 1.00 0.24 C ATOM 271 C ALA A 18 -7.707 -10.659 2.855 1.00 0.33 C ATOM 272 O ALA A 18 -8.650 -9.946 2.572 1.00 0.22 O ATOM 273 CB ALA A 18 -5.713 -9.152 2.789 1.00 0.22 C ATOM 0 H ALA A 18 -4.847 -11.432 3.478 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.902 -9.594 4.536 1.00 0.24 H new ATOM 0 HB1 ALA A 18 -6.352 -8.329 2.467 1.00 0.22 H new ATOM 0 HB2 ALA A 18 -4.876 -8.757 3.365 1.00 0.22 H new ATOM 0 HB3 ALA A 18 -5.334 -9.681 1.915 1.00 0.22 H new ATOM 279 N GLY A 19 -7.633 -11.916 2.504 1.00 0.60 N ATOM 280 CA GLY A 19 -8.746 -12.525 1.720 1.00 0.75 C ATOM 281 C GLY A 19 -8.703 -12.042 0.269 1.00 0.77 C ATOM 282 O GLY A 19 -7.707 -12.202 -0.409 1.00 1.04 O ATOM 0 H GLY A 19 -6.858 -12.542 2.724 1.00 0.60 H new ATOM 0 HA2 GLY A 19 -8.669 -13.612 1.751 1.00 0.75 H new ATOM 0 HA3 GLY A 19 -9.703 -12.261 2.170 1.00 0.75 H new ATOM 286 N ASP A 20 -9.793 -11.462 -0.173 1.00 0.63 N ATOM 287 CA ASP A 20 -9.850 -10.953 -1.582 1.00 0.61 C ATOM 288 C ASP A 20 -10.187 -9.461 -1.589 1.00 0.45 C ATOM 289 O ASP A 20 -9.928 -8.771 -2.556 1.00 0.51 O ATOM 290 CB ASP A 20 -10.926 -11.723 -2.347 1.00 0.72 C ATOM 291 CG ASP A 20 -11.516 -10.823 -3.435 1.00 2.54 C ATOM 292 OD1 ASP A 20 -10.824 -10.647 -4.426 1.00 3.61 O ATOM 293 OD2 ASP A 20 -12.623 -10.360 -3.215 1.00 3.18 O ATOM 0 H ASP A 20 -10.641 -11.319 0.376 1.00 0.63 H new ATOM 0 HA ASP A 20 -8.880 -11.098 -2.058 1.00 0.61 H new ATOM 0 HB2 ASP A 20 -10.499 -12.621 -2.794 1.00 0.72 H new ATOM 0 HB3 ASP A 20 -11.710 -12.049 -1.664 1.00 0.72 H new ATOM 298 N LYS A 21 -10.763 -8.994 -0.511 1.00 0.32 N ATOM 299 CA LYS A 21 -11.118 -7.544 -0.436 1.00 0.15 C ATOM 300 C LYS A 21 -9.962 -6.698 -0.976 1.00 0.16 C ATOM 301 O LYS A 21 -8.819 -7.078 -0.866 1.00 0.26 O ATOM 302 CB LYS A 21 -11.380 -7.170 1.021 1.00 0.18 C ATOM 303 CG LYS A 21 -12.755 -7.694 1.440 1.00 0.30 C ATOM 304 CD LYS A 21 -12.852 -7.676 2.968 1.00 0.62 C ATOM 305 CE LYS A 21 -14.242 -8.156 3.390 1.00 1.08 C ATOM 306 NZ LYS A 21 -14.502 -7.805 4.814 1.00 1.44 N ATOM 0 H LYS A 21 -11.001 -9.547 0.313 1.00 0.32 H new ATOM 0 HA LYS A 21 -12.009 -7.357 -1.035 1.00 0.15 H new ATOM 0 HB2 LYS A 21 -10.606 -7.593 1.662 1.00 0.18 H new ATOM 0 HB3 LYS A 21 -11.338 -6.088 1.143 1.00 0.18 H new ATOM 0 HG2 LYS A 21 -13.541 -7.077 1.006 1.00 0.30 H new ATOM 0 HG3 LYS A 21 -12.902 -8.707 1.066 1.00 0.30 H new ATOM 0 HD2 LYS A 21 -12.085 -8.319 3.400 1.00 0.62 H new ATOM 0 HD3 LYS A 21 -12.672 -6.669 3.344 1.00 0.62 H new ATOM 0 HE2 LYS A 21 -15.000 -7.701 2.752 1.00 1.08 H new ATOM 0 HE3 LYS A 21 -14.318 -9.235 3.255 1.00 1.08 H new ATOM 0 HZ1 LYS A 21 -15.449 -8.137 5.086 1.00 1.44 H new ATOM 0 HZ2 LYS A 21 -13.789 -8.259 5.419 1.00 1.44 H new ATOM 0 HZ3 LYS A 21 -14.450 -6.773 4.932 1.00 1.44 H new ATOM 320 N LEU A 22 -10.288 -5.571 -1.549 1.00 0.15 N ATOM 321 CA LEU A 22 -9.218 -4.686 -2.111 1.00 0.18 C ATOM 322 C LEU A 22 -8.001 -4.630 -1.175 1.00 0.14 C ATOM 323 O LEU A 22 -8.142 -4.423 0.014 1.00 0.17 O ATOM 324 CB LEU A 22 -9.779 -3.275 -2.271 1.00 0.20 C ATOM 325 CG LEU A 22 -10.079 -3.003 -3.745 1.00 0.37 C ATOM 326 CD1 LEU A 22 -10.825 -1.672 -3.854 1.00 1.54 C ATOM 327 CD2 LEU A 22 -8.764 -2.915 -4.534 1.00 1.02 C ATOM 0 H LEU A 22 -11.241 -5.223 -1.654 1.00 0.15 H new ATOM 0 HA LEU A 22 -8.901 -5.090 -3.073 1.00 0.18 H new ATOM 0 HB2 LEU A 22 -10.688 -3.165 -1.679 1.00 0.20 H new ATOM 0 HB3 LEU A 22 -9.063 -2.544 -1.895 1.00 0.20 H new ATOM 0 HG LEU A 22 -10.687 -3.810 -4.154 1.00 0.37 H new ATOM 0 HD11 LEU A 22 -11.046 -1.464 -4.901 1.00 1.54 H new ATOM 0 HD12 LEU A 22 -11.756 -1.730 -3.291 1.00 1.54 H new ATOM 0 HD13 LEU A 22 -10.205 -0.873 -3.448 1.00 1.54 H new ATOM 0 HD21 LEU A 22 -8.982 -2.721 -5.584 1.00 1.02 H new ATOM 0 HD22 LEU A 22 -8.154 -2.105 -4.135 1.00 1.02 H new ATOM 0 HD23 LEU A 22 -8.222 -3.856 -4.444 1.00 1.02 H new ATOM 339 N VAL A 23 -6.829 -4.819 -1.742 1.00 0.11 N ATOM 340 CA VAL A 23 -5.582 -4.758 -0.918 1.00 0.14 C ATOM 341 C VAL A 23 -4.640 -3.722 -1.547 1.00 0.13 C ATOM 342 O VAL A 23 -3.881 -4.035 -2.443 1.00 0.13 O ATOM 343 CB VAL A 23 -4.909 -6.151 -0.919 1.00 0.20 C ATOM 344 CG1 VAL A 23 -3.897 -6.273 0.240 1.00 0.30 C ATOM 345 CG2 VAL A 23 -5.980 -7.236 -0.773 1.00 0.15 C ATOM 0 H VAL A 23 -6.686 -5.011 -2.733 1.00 0.11 H new ATOM 0 HA VAL A 23 -5.812 -4.474 0.109 1.00 0.14 H new ATOM 0 HB VAL A 23 -4.376 -6.277 -1.862 1.00 0.20 H new ATOM 0 HG11 VAL A 23 -3.437 -7.261 0.219 1.00 0.30 H new ATOM 0 HG12 VAL A 23 -3.125 -5.511 0.131 1.00 0.30 H new ATOM 0 HG13 VAL A 23 -4.413 -6.134 1.190 1.00 0.30 H new ATOM 0 HG21 VAL A 23 -5.506 -8.218 -0.774 1.00 0.15 H new ATOM 0 HG22 VAL A 23 -6.517 -7.093 0.165 1.00 0.15 H new ATOM 0 HG23 VAL A 23 -6.680 -7.171 -1.606 1.00 0.15 H new ATOM 355 N VAL A 24 -4.706 -2.509 -1.062 1.00 0.15 N ATOM 356 CA VAL A 24 -3.851 -1.431 -1.657 1.00 0.17 C ATOM 357 C VAL A 24 -2.577 -1.203 -0.835 1.00 0.22 C ATOM 358 O VAL A 24 -2.639 -0.860 0.327 1.00 0.46 O ATOM 359 CB VAL A 24 -4.663 -0.141 -1.704 1.00 0.20 C ATOM 360 CG1 VAL A 24 -3.792 0.976 -2.272 1.00 0.20 C ATOM 361 CG2 VAL A 24 -5.877 -0.348 -2.612 1.00 0.23 C ATOM 0 H VAL A 24 -5.306 -2.218 -0.290 1.00 0.15 H new ATOM 0 HA VAL A 24 -3.549 -1.737 -2.659 1.00 0.17 H new ATOM 0 HB VAL A 24 -4.995 0.126 -0.701 1.00 0.20 H new ATOM 0 HG11 VAL A 24 -4.366 1.902 -2.309 1.00 0.20 H new ATOM 0 HG12 VAL A 24 -2.918 1.116 -1.635 1.00 0.20 H new ATOM 0 HG13 VAL A 24 -3.469 0.709 -3.278 1.00 0.20 H new ATOM 0 HG21 VAL A 24 -6.463 0.570 -2.651 1.00 0.23 H new ATOM 0 HG22 VAL A 24 -5.541 -0.607 -3.616 1.00 0.23 H new ATOM 0 HG23 VAL A 24 -6.493 -1.155 -2.217 1.00 0.23 H new ATOM 371 N VAL A 25 -1.444 -1.371 -1.476 1.00 0.19 N ATOM 372 CA VAL A 25 -0.146 -1.177 -0.753 1.00 0.18 C ATOM 373 C VAL A 25 0.389 0.238 -0.963 1.00 0.18 C ATOM 374 O VAL A 25 0.096 0.878 -1.955 1.00 0.21 O ATOM 375 CB VAL A 25 0.882 -2.175 -1.285 1.00 0.16 C ATOM 376 CG1 VAL A 25 2.223 -1.935 -0.587 1.00 0.30 C ATOM 377 CG2 VAL A 25 0.414 -3.596 -0.990 1.00 0.15 C ATOM 0 H VAL A 25 -1.362 -1.631 -2.459 1.00 0.19 H new ATOM 0 HA VAL A 25 -0.318 -1.335 0.312 1.00 0.18 H new ATOM 0 HB VAL A 25 0.994 -2.043 -2.361 1.00 0.16 H new ATOM 0 HG11 VAL A 25 2.961 -2.644 -0.962 1.00 0.30 H new ATOM 0 HG12 VAL A 25 2.561 -0.919 -0.789 1.00 0.30 H new ATOM 0 HG13 VAL A 25 2.103 -2.071 0.488 1.00 0.30 H new ATOM 0 HG21 VAL A 25 1.148 -4.307 -1.370 1.00 0.15 H new ATOM 0 HG22 VAL A 25 0.305 -3.727 0.087 1.00 0.15 H new ATOM 0 HG23 VAL A 25 -0.546 -3.771 -1.476 1.00 0.15 H new ATOM 387 N ASP A 26 1.167 0.689 -0.012 1.00 0.23 N ATOM 388 CA ASP A 26 1.767 2.051 -0.116 1.00 0.23 C ATOM 389 C ASP A 26 3.288 1.943 -0.029 1.00 0.21 C ATOM 390 O ASP A 26 3.863 2.017 1.040 1.00 0.20 O ATOM 391 CB ASP A 26 1.251 2.918 1.026 1.00 0.23 C ATOM 392 CG ASP A 26 1.832 4.327 0.894 1.00 0.31 C ATOM 393 OD1 ASP A 26 1.782 4.832 -0.216 1.00 1.53 O ATOM 394 OD2 ASP A 26 2.296 4.818 1.909 1.00 0.85 O ATOM 0 H ASP A 26 1.412 0.171 0.832 1.00 0.23 H new ATOM 0 HA ASP A 26 1.490 2.502 -1.069 1.00 0.23 H new ATOM 0 HB2 ASP A 26 0.162 2.958 1.004 1.00 0.23 H new ATOM 0 HB3 ASP A 26 1.535 2.484 1.985 1.00 0.23 H new ATOM 399 N PHE A 27 3.906 1.758 -1.159 1.00 0.21 N ATOM 400 CA PHE A 27 5.387 1.634 -1.174 1.00 0.20 C ATOM 401 C PHE A 27 6.036 3.008 -0.989 1.00 0.19 C ATOM 402 O PHE A 27 6.184 3.763 -1.930 1.00 0.18 O ATOM 403 CB PHE A 27 5.807 1.031 -2.508 1.00 0.20 C ATOM 404 CG PHE A 27 5.489 -0.469 -2.504 1.00 0.21 C ATOM 405 CD1 PHE A 27 6.374 -1.372 -1.936 1.00 0.21 C ATOM 406 CD2 PHE A 27 4.310 -0.946 -3.065 1.00 0.21 C ATOM 407 CE1 PHE A 27 6.092 -2.721 -1.934 1.00 0.21 C ATOM 408 CE2 PHE A 27 4.038 -2.301 -3.057 1.00 0.21 C ATOM 409 CZ PHE A 27 4.928 -3.183 -2.493 1.00 0.21 C ATOM 0 H PHE A 27 3.452 1.687 -2.070 1.00 0.21 H new ATOM 0 HA PHE A 27 5.713 0.992 -0.356 1.00 0.20 H new ATOM 0 HB2 PHE A 27 5.281 1.524 -3.326 1.00 0.20 H new ATOM 0 HB3 PHE A 27 6.873 1.189 -2.673 1.00 0.20 H new ATOM 0 HD1 PHE A 27 7.292 -1.016 -1.492 1.00 0.21 H new ATOM 0 HD2 PHE A 27 3.606 -0.257 -3.508 1.00 0.21 H new ATOM 0 HE1 PHE A 27 6.790 -3.416 -1.491 1.00 0.21 H new ATOM 0 HE2 PHE A 27 3.122 -2.668 -3.496 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.711 -4.241 -2.490 1.00 0.21 H new ATOM 419 N SER A 28 6.408 3.300 0.228 1.00 0.18 N ATOM 420 CA SER A 28 7.047 4.619 0.507 1.00 0.16 C ATOM 421 C SER A 28 8.148 4.456 1.560 1.00 0.20 C ATOM 422 O SER A 28 8.382 3.369 2.051 1.00 0.17 O ATOM 423 CB SER A 28 5.985 5.586 1.026 1.00 0.12 C ATOM 424 OG SER A 28 5.889 5.286 2.412 1.00 0.92 O ATOM 0 H SER A 28 6.298 2.687 1.036 1.00 0.18 H new ATOM 0 HA SER A 28 7.489 5.009 -0.410 1.00 0.16 H new ATOM 0 HB2 SER A 28 6.277 6.623 0.862 1.00 0.12 H new ATOM 0 HB3 SER A 28 5.031 5.439 0.520 1.00 0.12 H new ATOM 0 HG SER A 28 5.221 5.871 2.828 1.00 0.92 H new ATOM 430 N ALA A 29 8.797 5.544 1.883 1.00 0.27 N ATOM 431 CA ALA A 29 9.889 5.479 2.902 1.00 0.32 C ATOM 432 C ALA A 29 9.398 6.034 4.245 1.00 0.33 C ATOM 433 O ALA A 29 8.664 7.001 4.287 1.00 0.33 O ATOM 434 CB ALA A 29 11.074 6.308 2.411 1.00 0.42 C ATOM 0 H ALA A 29 8.621 6.468 1.490 1.00 0.27 H new ATOM 0 HA ALA A 29 10.190 4.441 3.042 1.00 0.32 H new ATOM 0 HB1 ALA A 29 11.877 6.267 3.147 1.00 0.42 H new ATOM 0 HB2 ALA A 29 11.431 5.906 1.463 1.00 0.42 H new ATOM 0 HB3 ALA A 29 10.761 7.343 2.272 1.00 0.42 H new ATOM 440 N THR A 30 9.815 5.407 5.313 1.00 0.42 N ATOM 441 CA THR A 30 9.382 5.886 6.659 1.00 0.49 C ATOM 442 C THR A 30 10.399 6.888 7.215 1.00 0.59 C ATOM 443 O THR A 30 10.036 7.880 7.815 1.00 0.73 O ATOM 444 CB THR A 30 9.272 4.689 7.608 1.00 0.55 C ATOM 445 OG1 THR A 30 8.602 5.197 8.757 1.00 0.60 O ATOM 446 CG2 THR A 30 10.644 4.241 8.105 1.00 0.64 C ATOM 0 H THR A 30 10.430 4.593 5.313 1.00 0.42 H new ATOM 0 HA THR A 30 8.414 6.378 6.570 1.00 0.49 H new ATOM 0 HB THR A 30 8.780 3.858 7.103 1.00 0.55 H new ATOM 0 HG1 THR A 30 8.493 4.480 9.416 1.00 0.60 H new ATOM 0 HG21 THR A 30 10.528 3.390 8.776 1.00 0.64 H new ATOM 0 HG22 THR A 30 11.262 3.951 7.255 1.00 0.64 H new ATOM 0 HG23 THR A 30 11.123 5.061 8.639 1.00 0.64 H new ATOM 454 N TRP A 31 11.650 6.601 7.001 1.00 0.55 N ATOM 455 CA TRP A 31 12.714 7.519 7.500 1.00 0.63 C ATOM 456 C TRP A 31 12.532 8.915 6.898 1.00 0.55 C ATOM 457 O TRP A 31 12.545 9.907 7.602 1.00 0.54 O ATOM 458 CB TRP A 31 14.066 6.961 7.076 1.00 0.72 C ATOM 459 CG TRP A 31 14.048 6.754 5.560 1.00 0.65 C ATOM 460 CD1 TRP A 31 13.562 5.669 4.969 1.00 0.60 C ATOM 461 CD2 TRP A 31 14.465 7.636 4.663 1.00 0.65 C ATOM 462 NE1 TRP A 31 13.703 5.928 3.662 1.00 0.57 N ATOM 463 CE2 TRP A 31 14.264 7.151 3.383 1.00 0.61 C ATOM 464 CE3 TRP A 31 15.021 8.898 4.831 1.00 0.70 C ATOM 465 CZ2 TRP A 31 14.610 7.911 2.290 1.00 0.63 C ATOM 466 CZ3 TRP A 31 15.366 9.654 3.730 1.00 0.71 C ATOM 467 CH2 TRP A 31 15.161 9.161 2.463 1.00 0.69 C ATOM 0 H TRP A 31 11.984 5.775 6.505 1.00 0.55 H new ATOM 0 HA TRP A 31 12.654 7.595 8.586 1.00 0.63 H new ATOM 0 HB2 TRP A 31 14.865 7.648 7.356 1.00 0.72 H new ATOM 0 HB3 TRP A 31 14.264 6.018 7.585 1.00 0.72 H new ATOM 0 HD1 TRP A 31 13.150 4.785 5.433 1.00 0.60 H new ATOM 0 HE1 TRP A 31 13.418 5.272 2.935 1.00 0.57 H new ATOM 0 HE3 TRP A 31 15.183 9.288 5.825 1.00 0.70 H new ATOM 0 HZ2 TRP A 31 14.449 7.526 1.294 1.00 0.63 H new ATOM 0 HZ3 TRP A 31 15.798 10.635 3.863 1.00 0.71 H new ATOM 0 HH2 TRP A 31 15.432 9.755 1.603 1.00 0.69 H new ATOM 478 N CYS A 32 12.365 8.961 5.603 1.00 0.50 N ATOM 479 CA CYS A 32 12.187 10.279 4.935 1.00 0.44 C ATOM 480 C CYS A 32 11.054 11.062 5.607 1.00 0.37 C ATOM 481 O CYS A 32 10.241 10.499 6.313 1.00 0.38 O ATOM 482 CB CYS A 32 11.856 10.055 3.465 1.00 0.41 C ATOM 483 SG CYS A 32 11.718 11.523 2.416 1.00 0.49 S ATOM 0 H CYS A 32 12.344 8.150 4.985 1.00 0.50 H new ATOM 0 HA CYS A 32 13.109 10.854 5.021 1.00 0.44 H new ATOM 0 HB2 CYS A 32 12.623 9.407 3.041 1.00 0.41 H new ATOM 0 HB3 CYS A 32 10.913 9.511 3.410 1.00 0.41 H new ATOM 0 HG CYS A 32 12.066 11.222 1.200 1.00 0.49 H new ATOM 489 N GLY A 33 11.025 12.345 5.373 1.00 0.31 N ATOM 490 CA GLY A 33 9.960 13.184 5.996 1.00 0.24 C ATOM 491 C GLY A 33 8.769 13.399 5.039 1.00 0.21 C ATOM 492 O GLY A 33 7.679 12.930 5.293 1.00 0.18 O ATOM 0 H GLY A 33 11.687 12.847 4.782 1.00 0.31 H new ATOM 0 HA2 GLY A 33 9.610 12.707 6.911 1.00 0.24 H new ATOM 0 HA3 GLY A 33 10.377 14.150 6.280 1.00 0.24 H new ATOM 496 N PRO A 34 9.008 14.111 3.954 1.00 0.23 N ATOM 497 CA PRO A 34 7.953 14.403 2.971 1.00 0.22 C ATOM 498 C PRO A 34 7.210 13.131 2.537 1.00 0.21 C ATOM 499 O PRO A 34 6.060 13.190 2.145 1.00 0.22 O ATOM 500 CB PRO A 34 8.680 15.037 1.781 1.00 0.28 C ATOM 501 CG PRO A 34 10.149 15.303 2.229 1.00 0.31 C ATOM 502 CD PRO A 34 10.331 14.658 3.618 1.00 0.28 C ATOM 0 HA PRO A 34 7.193 15.061 3.391 1.00 0.22 H new ATOM 0 HB2 PRO A 34 8.655 14.373 0.917 1.00 0.28 H new ATOM 0 HB3 PRO A 34 8.194 15.966 1.483 1.00 0.28 H new ATOM 0 HG2 PRO A 34 10.852 14.877 1.513 1.00 0.31 H new ATOM 0 HG3 PRO A 34 10.349 16.374 2.274 1.00 0.31 H new ATOM 0 HD2 PRO A 34 11.089 13.875 3.594 1.00 0.28 H new ATOM 0 HD3 PRO A 34 10.655 15.392 4.356 1.00 0.28 H new ATOM 510 N CYS A 35 7.871 12.009 2.613 1.00 0.20 N ATOM 511 CA CYS A 35 7.194 10.741 2.203 1.00 0.21 C ATOM 512 C CYS A 35 6.167 10.325 3.260 1.00 0.22 C ATOM 513 O CYS A 35 5.058 9.950 2.934 1.00 0.19 O ATOM 514 CB CYS A 35 8.231 9.632 2.047 1.00 0.22 C ATOM 515 SG CYS A 35 9.613 9.936 0.919 1.00 0.18 S ATOM 0 H CYS A 35 8.834 11.912 2.935 1.00 0.20 H new ATOM 0 HA CYS A 35 6.685 10.906 1.253 1.00 0.21 H new ATOM 0 HB2 CYS A 35 8.642 9.415 3.033 1.00 0.22 H new ATOM 0 HB3 CYS A 35 7.714 8.733 1.712 1.00 0.22 H new ATOM 0 HG CYS A 35 10.533 10.619 1.534 1.00 0.18 H new ATOM 521 N LYS A 36 6.556 10.398 4.506 1.00 0.31 N ATOM 522 CA LYS A 36 5.607 10.005 5.583 1.00 0.36 C ATOM 523 C LYS A 36 4.592 11.125 5.833 1.00 0.42 C ATOM 524 O LYS A 36 3.467 10.867 6.204 1.00 0.83 O ATOM 525 CB LYS A 36 6.383 9.714 6.873 1.00 0.32 C ATOM 526 CG LYS A 36 5.368 9.515 8.013 1.00 0.06 C ATOM 527 CD LYS A 36 6.020 8.824 9.224 1.00 0.34 C ATOM 528 CE LYS A 36 6.082 9.810 10.393 1.00 0.81 C ATOM 529 NZ LYS A 36 6.822 11.041 10.000 1.00 1.70 N ATOM 0 H LYS A 36 7.476 10.708 4.819 1.00 0.31 H new ATOM 0 HA LYS A 36 5.071 9.109 5.270 1.00 0.36 H new ATOM 0 HB2 LYS A 36 6.999 8.823 6.753 1.00 0.32 H new ATOM 0 HB3 LYS A 36 7.057 10.538 7.105 1.00 0.32 H new ATOM 0 HG2 LYS A 36 4.964 10.481 8.316 1.00 0.06 H new ATOM 0 HG3 LYS A 36 4.530 8.916 7.657 1.00 0.06 H new ATOM 0 HD2 LYS A 36 5.446 7.942 9.507 1.00 0.34 H new ATOM 0 HD3 LYS A 36 7.023 8.483 8.967 1.00 0.34 H new ATOM 0 HE2 LYS A 36 5.072 10.071 10.710 1.00 0.81 H new ATOM 0 HE3 LYS A 36 6.572 9.341 11.246 1.00 0.81 H new ATOM 0 HZ1 LYS A 36 7.293 11.445 10.835 1.00 1.70 H new ATOM 0 HZ2 LYS A 36 7.535 10.803 9.282 1.00 1.70 H new ATOM 0 HZ3 LYS A 36 6.155 11.737 9.608 1.00 1.70 H new ATOM 543 N MET A 37 5.012 12.346 5.622 1.00 0.41 N ATOM 544 CA MET A 37 4.077 13.492 5.843 1.00 0.45 C ATOM 545 C MET A 37 2.703 13.166 5.247 1.00 0.49 C ATOM 546 O MET A 37 1.702 13.738 5.628 1.00 0.51 O ATOM 547 CB MET A 37 4.650 14.741 5.166 1.00 0.41 C ATOM 548 CG MET A 37 3.732 15.939 5.437 1.00 0.48 C ATOM 549 SD MET A 37 2.871 16.662 4.020 1.00 1.97 S ATOM 550 CE MET A 37 1.846 17.831 4.948 1.00 2.38 C ATOM 0 H MET A 37 5.950 12.598 5.310 1.00 0.41 H new ATOM 0 HA MET A 37 3.965 13.671 6.912 1.00 0.45 H new ATOM 0 HB2 MET A 37 5.652 14.945 5.544 1.00 0.41 H new ATOM 0 HB3 MET A 37 4.742 14.576 4.093 1.00 0.41 H new ATOM 0 HG2 MET A 37 2.982 15.631 6.166 1.00 0.48 H new ATOM 0 HG3 MET A 37 4.329 16.722 5.905 1.00 0.48 H new ATOM 0 HE1 MET A 37 1.221 18.396 4.256 1.00 2.38 H new ATOM 0 HE2 MET A 37 1.212 17.284 5.646 1.00 2.38 H new ATOM 0 HE3 MET A 37 2.487 18.518 5.501 1.00 2.38 H new ATOM 560 N ILE A 38 2.693 12.244 4.324 1.00 0.51 N ATOM 561 CA ILE A 38 1.403 11.846 3.689 1.00 0.56 C ATOM 562 C ILE A 38 0.761 10.702 4.484 1.00 0.60 C ATOM 563 O ILE A 38 0.120 9.834 3.929 1.00 0.79 O ATOM 564 CB ILE A 38 1.686 11.378 2.257 1.00 0.68 C ATOM 565 CG1 ILE A 38 2.455 12.478 1.491 1.00 0.86 C ATOM 566 CG2 ILE A 38 0.363 11.062 1.548 1.00 0.48 C ATOM 567 CD1 ILE A 38 1.683 13.806 1.547 1.00 0.96 C ATOM 0 H ILE A 38 3.518 11.750 3.983 1.00 0.51 H new ATOM 0 HA ILE A 38 0.720 12.695 3.678 1.00 0.56 H new ATOM 0 HB ILE A 38 2.297 10.476 2.283 1.00 0.68 H new ATOM 0 HG12 ILE A 38 3.447 12.607 1.925 1.00 0.86 H new ATOM 0 HG13 ILE A 38 2.598 12.176 0.453 1.00 0.86 H new ATOM 0 HG21 ILE A 38 0.566 10.729 0.530 1.00 0.48 H new ATOM 0 HG22 ILE A 38 -0.161 10.274 2.089 1.00 0.48 H new ATOM 0 HG23 ILE A 38 -0.258 11.958 1.520 1.00 0.48 H new ATOM 0 HD11 ILE A 38 2.236 14.572 1.003 1.00 0.96 H new ATOM 0 HD12 ILE A 38 0.701 13.676 1.092 1.00 0.96 H new ATOM 0 HD13 ILE A 38 1.563 14.114 2.586 1.00 0.96 H new ATOM 579 N LYS A 39 0.953 10.732 5.771 1.00 0.74 N ATOM 580 CA LYS A 39 0.373 9.657 6.630 1.00 0.88 C ATOM 581 C LYS A 39 -1.092 9.965 7.027 1.00 0.75 C ATOM 582 O LYS A 39 -1.957 9.139 6.846 1.00 0.68 O ATOM 583 CB LYS A 39 1.221 9.485 7.902 1.00 1.12 C ATOM 584 CG LYS A 39 1.828 8.074 7.931 1.00 0.80 C ATOM 585 CD LYS A 39 2.507 7.841 9.284 1.00 1.05 C ATOM 586 CE LYS A 39 3.268 6.511 9.238 1.00 0.92 C ATOM 587 NZ LYS A 39 4.017 6.292 10.508 1.00 1.08 N ATOM 0 H LYS A 39 1.483 11.449 6.267 1.00 0.74 H new ATOM 0 HA LYS A 39 0.380 8.735 6.049 1.00 0.88 H new ATOM 0 HB2 LYS A 39 2.013 10.233 7.927 1.00 1.12 H new ATOM 0 HB3 LYS A 39 0.604 9.645 8.786 1.00 1.12 H new ATOM 0 HG2 LYS A 39 1.050 7.328 7.769 1.00 0.80 H new ATOM 0 HG3 LYS A 39 2.552 7.961 7.124 1.00 0.80 H new ATOM 0 HD2 LYS A 39 3.192 8.659 9.507 1.00 1.05 H new ATOM 0 HD3 LYS A 39 1.763 7.822 10.080 1.00 1.05 H new ATOM 0 HE2 LYS A 39 2.569 5.691 9.076 1.00 0.92 H new ATOM 0 HE3 LYS A 39 3.960 6.511 8.396 1.00 0.92 H new ATOM 0 HZ1 LYS A 39 4.961 5.913 10.293 1.00 1.08 H new ATOM 0 HZ2 LYS A 39 4.113 7.195 11.014 1.00 1.08 H new ATOM 0 HZ3 LYS A 39 3.500 5.615 11.104 1.00 1.08 H new ATOM 601 N PRO A 40 -1.356 11.158 7.548 1.00 0.73 N ATOM 602 CA PRO A 40 -2.719 11.508 7.978 1.00 0.69 C ATOM 603 C PRO A 40 -3.714 11.387 6.816 1.00 0.52 C ATOM 604 O PRO A 40 -4.896 11.612 6.985 1.00 0.53 O ATOM 605 CB PRO A 40 -2.631 12.956 8.473 1.00 0.73 C ATOM 606 CG PRO A 40 -1.134 13.383 8.397 1.00 0.77 C ATOM 607 CD PRO A 40 -0.360 12.238 7.716 1.00 0.77 C ATOM 0 HA PRO A 40 -3.078 10.835 8.757 1.00 0.69 H new ATOM 0 HB2 PRO A 40 -3.249 13.610 7.858 1.00 0.73 H new ATOM 0 HB3 PRO A 40 -3.002 13.036 9.495 1.00 0.73 H new ATOM 0 HG2 PRO A 40 -1.027 14.308 7.830 1.00 0.77 H new ATOM 0 HG3 PRO A 40 -0.738 13.573 9.395 1.00 0.77 H new ATOM 0 HD2 PRO A 40 0.048 12.553 6.756 1.00 0.77 H new ATOM 0 HD3 PRO A 40 0.480 11.910 8.328 1.00 0.77 H new ATOM 615 N PHE A 41 -3.208 11.032 5.663 1.00 0.41 N ATOM 616 CA PHE A 41 -4.103 10.887 4.473 1.00 0.24 C ATOM 617 C PHE A 41 -4.328 9.399 4.146 1.00 0.21 C ATOM 618 O PHE A 41 -5.450 8.941 4.073 1.00 0.20 O ATOM 619 CB PHE A 41 -3.445 11.579 3.284 1.00 0.21 C ATOM 620 CG PHE A 41 -3.522 13.097 3.477 1.00 0.19 C ATOM 621 CD1 PHE A 41 -2.515 13.772 4.144 1.00 0.20 C ATOM 622 CD2 PHE A 41 -4.600 13.813 2.985 1.00 0.17 C ATOM 623 CE1 PHE A 41 -2.586 15.139 4.317 1.00 0.19 C ATOM 624 CE2 PHE A 41 -4.668 15.181 3.160 1.00 0.17 C ATOM 625 CZ PHE A 41 -3.661 15.842 3.825 1.00 0.18 C ATOM 0 H PHE A 41 -2.221 10.837 5.493 1.00 0.41 H new ATOM 0 HA PHE A 41 -5.070 11.342 4.688 1.00 0.24 H new ATOM 0 HB2 PHE A 41 -2.405 11.264 3.195 1.00 0.21 H new ATOM 0 HB3 PHE A 41 -3.945 11.292 2.359 1.00 0.21 H new ATOM 0 HD1 PHE A 41 -1.668 13.225 4.532 1.00 0.20 H new ATOM 0 HD2 PHE A 41 -5.392 13.299 2.461 1.00 0.17 H new ATOM 0 HE1 PHE A 41 -1.796 15.658 4.840 1.00 0.19 H new ATOM 0 HE2 PHE A 41 -5.513 15.733 2.774 1.00 0.17 H new ATOM 0 HZ PHE A 41 -3.715 16.912 3.961 1.00 0.18 H new ATOM 635 N PHE A 42 -3.250 8.682 3.957 1.00 0.21 N ATOM 636 CA PHE A 42 -3.376 7.225 3.624 1.00 0.19 C ATOM 637 C PHE A 42 -3.553 6.397 4.900 1.00 0.17 C ATOM 638 O PHE A 42 -4.150 5.338 4.883 1.00 0.13 O ATOM 639 CB PHE A 42 -2.100 6.770 2.912 1.00 0.23 C ATOM 640 CG PHE A 42 -2.192 5.271 2.610 1.00 0.19 C ATOM 641 CD1 PHE A 42 -3.088 4.808 1.668 1.00 0.21 C ATOM 642 CD2 PHE A 42 -1.381 4.359 3.272 1.00 0.18 C ATOM 643 CE1 PHE A 42 -3.177 3.462 1.388 1.00 0.18 C ATOM 644 CE2 PHE A 42 -1.474 3.012 2.991 1.00 0.19 C ATOM 645 CZ PHE A 42 -2.371 2.565 2.049 1.00 0.18 C ATOM 0 H PHE A 42 -2.295 9.035 4.017 1.00 0.21 H new ATOM 0 HA PHE A 42 -4.246 7.080 2.984 1.00 0.19 H new ATOM 0 HB2 PHE A 42 -1.967 7.331 1.987 1.00 0.23 H new ATOM 0 HB3 PHE A 42 -1.230 6.974 3.536 1.00 0.23 H new ATOM 0 HD1 PHE A 42 -3.725 5.507 1.146 1.00 0.21 H new ATOM 0 HD2 PHE A 42 -0.674 4.706 4.011 1.00 0.18 H new ATOM 0 HE1 PHE A 42 -3.881 3.111 0.648 1.00 0.18 H new ATOM 0 HE2 PHE A 42 -0.842 2.307 3.511 1.00 0.19 H new ATOM 0 HZ PHE A 42 -2.442 1.510 1.829 1.00 0.18 H new ATOM 655 N HIS A 43 -3.028 6.902 5.971 1.00 0.20 N ATOM 656 CA HIS A 43 -3.123 6.167 7.264 1.00 0.19 C ATOM 657 C HIS A 43 -4.453 6.491 7.959 1.00 0.20 C ATOM 658 O HIS A 43 -4.845 5.829 8.898 1.00 0.22 O ATOM 659 CB HIS A 43 -1.955 6.614 8.136 1.00 0.18 C ATOM 660 CG HIS A 43 -1.714 5.616 9.263 1.00 0.15 C ATOM 661 ND1 HIS A 43 -2.561 4.804 9.701 1.00 0.19 N ATOM 662 CD2 HIS A 43 -0.564 5.388 10.004 1.00 0.18 C ATOM 663 CE1 HIS A 43 -2.076 4.089 10.633 1.00 0.16 C ATOM 664 NE2 HIS A 43 -0.803 4.392 10.897 1.00 0.21 N ATOM 0 H HIS A 43 -2.535 7.794 6.013 1.00 0.20 H new ATOM 0 HA HIS A 43 -3.084 5.091 7.095 1.00 0.19 H new ATOM 0 HB2 HIS A 43 -1.055 6.708 7.528 1.00 0.18 H new ATOM 0 HB3 HIS A 43 -2.162 7.599 8.554 1.00 0.18 H new ATOM 0 HD1 HIS A 43 -3.517 4.727 9.354 1.00 0.19 H new ATOM 0 HD2 HIS A 43 0.371 5.917 9.890 1.00 0.18 H new ATOM 0 HE1 HIS A 43 -2.631 3.322 11.153 1.00 0.16 H new ATOM 672 N SER A 44 -5.118 7.508 7.474 1.00 0.18 N ATOM 673 CA SER A 44 -6.423 7.892 8.091 1.00 0.18 C ATOM 674 C SER A 44 -7.554 7.036 7.515 1.00 0.17 C ATOM 675 O SER A 44 -8.668 7.067 7.998 1.00 0.16 O ATOM 676 CB SER A 44 -6.700 9.366 7.797 1.00 0.19 C ATOM 677 OG SER A 44 -6.063 10.058 8.861 1.00 1.47 O ATOM 0 H SER A 44 -4.819 8.083 6.687 1.00 0.18 H new ATOM 0 HA SER A 44 -6.372 7.729 9.168 1.00 0.18 H new ATOM 0 HB2 SER A 44 -6.294 9.662 6.830 1.00 0.19 H new ATOM 0 HB3 SER A 44 -7.770 9.573 7.771 1.00 0.19 H new ATOM 0 HG SER A 44 -5.521 10.789 8.498 1.00 1.47 H new ATOM 683 N LEU A 45 -7.242 6.291 6.493 1.00 0.21 N ATOM 684 CA LEU A 45 -8.287 5.424 5.873 1.00 0.20 C ATOM 685 C LEU A 45 -8.475 4.154 6.706 1.00 0.20 C ATOM 686 O LEU A 45 -9.385 3.383 6.474 1.00 0.19 O ATOM 687 CB LEU A 45 -7.847 5.044 4.461 1.00 0.19 C ATOM 688 CG LEU A 45 -7.411 6.306 3.713 1.00 0.23 C ATOM 689 CD1 LEU A 45 -7.008 5.931 2.285 1.00 0.16 C ATOM 690 CD2 LEU A 45 -8.580 7.291 3.664 1.00 0.34 C ATOM 0 H LEU A 45 -6.319 6.243 6.062 1.00 0.21 H new ATOM 0 HA LEU A 45 -9.231 5.967 5.835 1.00 0.20 H new ATOM 0 HB2 LEU A 45 -7.025 4.330 4.503 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -8.665 4.557 3.931 1.00 0.19 H new ATOM 0 HG LEU A 45 -6.565 6.764 4.226 1.00 0.23 H new ATOM 0 HD11 LEU A 45 -6.697 6.827 1.748 1.00 0.16 H new ATOM 0 HD12 LEU A 45 -6.182 5.220 2.315 1.00 0.16 H new ATOM 0 HD13 LEU A 45 -7.858 5.479 1.774 1.00 0.16 H new ATOM 0 HD21 LEU A 45 -8.275 8.192 3.132 1.00 0.34 H new ATOM 0 HD22 LEU A 45 -9.422 6.831 3.146 1.00 0.34 H new ATOM 0 HD23 LEU A 45 -8.878 7.553 4.679 1.00 0.34 H new ATOM 702 N SER A 46 -7.608 3.967 7.661 1.00 0.20 N ATOM 703 CA SER A 46 -7.712 2.755 8.523 1.00 0.20 C ATOM 704 C SER A 46 -9.097 2.679 9.179 1.00 0.20 C ATOM 705 O SER A 46 -9.610 1.605 9.424 1.00 0.22 O ATOM 706 CB SER A 46 -6.640 2.825 9.609 1.00 0.22 C ATOM 707 OG SER A 46 -7.374 2.788 10.823 1.00 1.26 O ATOM 0 H SER A 46 -6.836 4.596 7.882 1.00 0.20 H new ATOM 0 HA SER A 46 -7.568 1.867 7.908 1.00 0.20 H new ATOM 0 HB2 SER A 46 -5.945 1.988 9.538 1.00 0.22 H new ATOM 0 HB3 SER A 46 -6.049 3.738 9.528 1.00 0.22 H new ATOM 0 HG SER A 46 -6.754 2.827 11.581 1.00 1.26 H new ATOM 713 N GLU A 47 -9.672 3.824 9.447 1.00 0.20 N ATOM 714 CA GLU A 47 -11.020 3.839 10.096 1.00 0.23 C ATOM 715 C GLU A 47 -12.116 4.103 9.054 1.00 0.19 C ATOM 716 O GLU A 47 -13.155 3.475 9.072 1.00 0.24 O ATOM 717 CB GLU A 47 -11.051 4.942 11.153 1.00 0.29 C ATOM 718 CG GLU A 47 -10.342 4.449 12.416 1.00 0.55 C ATOM 719 CD GLU A 47 -10.243 5.597 13.422 1.00 0.71 C ATOM 720 OE1 GLU A 47 -11.236 5.809 14.100 1.00 1.15 O ATOM 721 OE2 GLU A 47 -9.183 6.198 13.456 1.00 1.67 O ATOM 0 H GLU A 47 -9.272 4.741 9.247 1.00 0.20 H new ATOM 0 HA GLU A 47 -11.203 2.869 10.558 1.00 0.23 H new ATOM 0 HB2 GLU A 47 -10.562 5.839 10.774 1.00 0.29 H new ATOM 0 HB3 GLU A 47 -12.081 5.213 11.382 1.00 0.29 H new ATOM 0 HG2 GLU A 47 -10.891 3.614 12.852 1.00 0.55 H new ATOM 0 HG3 GLU A 47 -9.346 4.081 12.168 1.00 0.55 H new ATOM 728 N LYS A 48 -11.859 5.028 8.169 1.00 0.15 N ATOM 729 CA LYS A 48 -12.882 5.348 7.126 1.00 0.10 C ATOM 730 C LYS A 48 -13.297 4.077 6.375 1.00 0.09 C ATOM 731 O LYS A 48 -14.428 3.643 6.465 1.00 0.08 O ATOM 732 CB LYS A 48 -12.299 6.356 6.144 1.00 0.10 C ATOM 733 CG LYS A 48 -13.403 7.324 5.715 1.00 0.13 C ATOM 734 CD LYS A 48 -13.568 8.412 6.780 1.00 1.04 C ATOM 735 CE LYS A 48 -15.050 8.782 6.892 1.00 1.67 C ATOM 736 NZ LYS A 48 -15.211 10.072 7.621 1.00 2.73 N ATOM 0 H LYS A 48 -10.997 5.571 8.120 1.00 0.15 H new ATOM 0 HA LYS A 48 -13.763 5.770 7.610 1.00 0.10 H new ATOM 0 HB2 LYS A 48 -11.478 6.902 6.608 1.00 0.10 H new ATOM 0 HB3 LYS A 48 -11.889 5.842 5.275 1.00 0.10 H new ATOM 0 HG2 LYS A 48 -13.153 7.775 4.754 1.00 0.13 H new ATOM 0 HG3 LYS A 48 -14.341 6.786 5.580 1.00 0.13 H new ATOM 0 HD2 LYS A 48 -13.195 8.057 7.741 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -12.980 9.291 6.514 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -15.487 8.863 5.897 1.00 1.67 H new ATOM 0 HE3 LYS A 48 -15.590 7.992 7.414 1.00 1.67 H new ATOM 0 HZ1 LYS A 48 -16.221 10.309 7.689 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 -14.812 9.983 8.577 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 -14.712 10.826 7.107 1.00 2.73 H new ATOM 750 N TYR A 49 -12.372 3.508 5.650 1.00 0.11 N ATOM 751 CA TYR A 49 -12.701 2.269 4.886 1.00 0.10 C ATOM 752 C TYR A 49 -12.349 1.027 5.713 1.00 0.10 C ATOM 753 O TYR A 49 -11.230 0.555 5.682 1.00 0.13 O ATOM 754 CB TYR A 49 -11.900 2.256 3.585 1.00 0.07 C ATOM 755 CG TYR A 49 -12.595 3.145 2.552 1.00 0.13 C ATOM 756 CD1 TYR A 49 -13.626 2.650 1.780 1.00 0.12 C ATOM 757 CD2 TYR A 49 -12.197 4.456 2.376 1.00 0.21 C ATOM 758 CE1 TYR A 49 -14.251 3.454 0.848 1.00 0.17 C ATOM 759 CE2 TYR A 49 -12.822 5.258 1.444 1.00 0.27 C ATOM 760 CZ TYR A 49 -13.853 4.763 0.672 1.00 0.24 C ATOM 761 OH TYR A 49 -14.478 5.566 -0.261 1.00 0.30 O ATOM 0 H TYR A 49 -11.413 3.842 5.554 1.00 0.11 H new ATOM 0 HA TYR A 49 -13.769 2.256 4.667 1.00 0.10 H new ATOM 0 HB2 TYR A 49 -10.886 2.613 3.766 1.00 0.07 H new ATOM 0 HB3 TYR A 49 -11.816 1.237 3.207 1.00 0.07 H new ATOM 0 HD1 TYR A 49 -13.946 1.626 1.906 1.00 0.12 H new ATOM 0 HD2 TYR A 49 -11.390 4.856 2.973 1.00 0.21 H new ATOM 0 HE1 TYR A 49 -15.058 3.055 0.252 1.00 0.17 H new ATOM 0 HE2 TYR A 49 -12.502 6.282 1.317 1.00 0.27 H new ATOM 0 HH TYR A 49 -14.071 6.458 -0.250 1.00 0.30 H new ATOM 771 N SER A 50 -13.312 0.526 6.438 1.00 0.15 N ATOM 772 CA SER A 50 -13.047 -0.685 7.268 1.00 0.17 C ATOM 773 C SER A 50 -13.306 -1.953 6.449 1.00 0.14 C ATOM 774 O SER A 50 -13.041 -3.051 6.897 1.00 0.14 O ATOM 775 CB SER A 50 -13.966 -0.667 8.489 1.00 0.25 C ATOM 776 OG SER A 50 -15.210 -1.140 7.994 1.00 0.57 O ATOM 0 H SER A 50 -14.261 0.897 6.492 1.00 0.15 H new ATOM 0 HA SER A 50 -12.005 -0.680 7.589 1.00 0.17 H new ATOM 0 HB2 SER A 50 -13.584 -1.307 9.284 1.00 0.25 H new ATOM 0 HB3 SER A 50 -14.058 0.337 8.904 1.00 0.25 H new ATOM 0 HG SER A 50 -15.865 -1.162 8.723 1.00 0.57 H new ATOM 782 N ASN A 51 -13.818 -1.772 5.262 1.00 0.12 N ATOM 783 CA ASN A 51 -14.101 -2.954 4.394 1.00 0.11 C ATOM 784 C ASN A 51 -12.944 -3.175 3.415 1.00 0.09 C ATOM 785 O ASN A 51 -13.067 -3.922 2.464 1.00 0.20 O ATOM 786 CB ASN A 51 -15.390 -2.705 3.613 1.00 0.15 C ATOM 787 CG ASN A 51 -15.864 -4.019 2.987 1.00 0.20 C ATOM 788 OD1 ASN A 51 -15.803 -4.204 1.788 1.00 0.91 O ATOM 789 ND2 ASN A 51 -16.340 -4.955 3.761 1.00 1.38 N ATOM 0 H ASN A 51 -14.051 -0.865 4.857 1.00 0.12 H new ATOM 0 HA ASN A 51 -14.212 -3.841 5.017 1.00 0.11 H new ATOM 0 HB2 ASN A 51 -16.159 -2.306 4.275 1.00 0.15 H new ATOM 0 HB3 ASN A 51 -15.220 -1.959 2.836 1.00 0.15 H new ATOM 0 HD21 ASN A 51 -16.659 -5.837 3.359 1.00 1.38 H new ATOM 0 HD22 ASN A 51 -16.394 -4.805 4.769 1.00 1.38 H new ATOM 796 N VAL A 52 -11.844 -2.514 3.671 1.00 0.20 N ATOM 797 CA VAL A 52 -10.659 -2.665 2.773 1.00 0.17 C ATOM 798 C VAL A 52 -9.387 -2.830 3.611 1.00 0.15 C ATOM 799 O VAL A 52 -9.345 -2.421 4.754 1.00 0.26 O ATOM 800 CB VAL A 52 -10.533 -1.419 1.900 1.00 0.17 C ATOM 801 CG1 VAL A 52 -9.424 -1.639 0.869 1.00 0.15 C ATOM 802 CG2 VAL A 52 -11.857 -1.175 1.173 1.00 0.20 C ATOM 0 H VAL A 52 -11.715 -1.879 4.459 1.00 0.20 H new ATOM 0 HA VAL A 52 -10.790 -3.547 2.146 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.293 -0.557 2.522 1.00 0.17 H new ATOM 0 HG11 VAL A 52 -9.329 -0.752 0.242 1.00 0.15 H new ATOM 0 HG12 VAL A 52 -8.481 -1.823 1.383 1.00 0.15 H new ATOM 0 HG13 VAL A 52 -9.671 -2.499 0.246 1.00 0.15 H new ATOM 0 HG21 VAL A 52 -11.771 -0.286 0.549 1.00 0.20 H new ATOM 0 HG22 VAL A 52 -12.093 -2.036 0.548 1.00 0.20 H new ATOM 0 HG23 VAL A 52 -12.652 -1.029 1.904 1.00 0.20 H new ATOM 812 N ILE A 53 -8.377 -3.424 3.020 1.00 0.09 N ATOM 813 CA ILE A 53 -7.098 -3.627 3.766 1.00 0.12 C ATOM 814 C ILE A 53 -6.013 -2.710 3.201 1.00 0.13 C ATOM 815 O ILE A 53 -5.814 -2.637 2.000 1.00 0.26 O ATOM 816 CB ILE A 53 -6.666 -5.096 3.640 1.00 0.10 C ATOM 817 CG1 ILE A 53 -7.763 -5.995 4.241 1.00 0.08 C ATOM 818 CG2 ILE A 53 -5.357 -5.314 4.412 1.00 0.12 C ATOM 819 CD1 ILE A 53 -8.722 -6.454 3.137 1.00 1.01 C ATOM 0 H ILE A 53 -8.384 -3.774 2.062 1.00 0.09 H new ATOM 0 HA ILE A 53 -7.247 -3.383 4.818 1.00 0.12 H new ATOM 0 HB ILE A 53 -6.514 -5.344 2.590 1.00 0.10 H new ATOM 0 HG12 ILE A 53 -7.311 -6.860 4.726 1.00 0.08 H new ATOM 0 HG13 ILE A 53 -8.312 -5.450 5.009 1.00 0.08 H new ATOM 0 HG21 ILE A 53 -5.051 -6.356 4.322 1.00 0.12 H new ATOM 0 HG22 ILE A 53 -4.580 -4.671 3.999 1.00 0.12 H new ATOM 0 HG23 ILE A 53 -5.510 -5.070 5.463 1.00 0.12 H new ATOM 0 HD11 ILE A 53 -9.496 -7.089 3.568 1.00 1.01 H new ATOM 0 HD12 ILE A 53 -9.185 -5.584 2.672 1.00 1.01 H new ATOM 0 HD13 ILE A 53 -8.168 -7.016 2.385 1.00 1.01 H new ATOM 831 N PHE A 54 -5.337 -2.032 4.090 1.00 0.19 N ATOM 832 CA PHE A 54 -4.258 -1.098 3.660 1.00 0.21 C ATOM 833 C PHE A 54 -2.915 -1.536 4.249 1.00 0.22 C ATOM 834 O PHE A 54 -2.830 -1.886 5.410 1.00 0.24 O ATOM 835 CB PHE A 54 -4.602 0.302 4.162 1.00 0.25 C ATOM 836 CG PHE A 54 -5.962 0.716 3.600 1.00 0.18 C ATOM 837 CD1 PHE A 54 -6.054 1.362 2.381 1.00 0.23 C ATOM 838 CD2 PHE A 54 -7.119 0.448 4.307 1.00 0.10 C ATOM 839 CE1 PHE A 54 -7.283 1.735 1.879 1.00 0.22 C ATOM 840 CE2 PHE A 54 -8.348 0.821 3.803 1.00 0.08 C ATOM 841 CZ PHE A 54 -8.429 1.464 2.590 1.00 0.17 C ATOM 0 H PHE A 54 -5.487 -2.086 5.098 1.00 0.19 H new ATOM 0 HA PHE A 54 -4.180 -1.103 2.573 1.00 0.21 H new ATOM 0 HB2 PHE A 54 -4.626 0.315 5.252 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -3.835 1.012 3.851 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -5.157 1.576 1.818 1.00 0.23 H new ATOM 0 HD2 PHE A 54 -7.061 -0.057 5.260 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -7.346 2.240 0.927 1.00 0.22 H new ATOM 0 HE2 PHE A 54 -9.247 0.608 4.362 1.00 0.08 H new ATOM 0 HZ PHE A 54 -9.391 1.756 2.196 1.00 0.17 H new ATOM 851 N LEU A 55 -1.897 -1.513 3.428 1.00 0.21 N ATOM 852 CA LEU A 55 -0.540 -1.915 3.907 1.00 0.21 C ATOM 853 C LEU A 55 0.467 -0.794 3.631 1.00 0.25 C ATOM 854 O LEU A 55 0.230 0.072 2.811 1.00 0.32 O ATOM 855 CB LEU A 55 -0.088 -3.187 3.175 1.00 0.13 C ATOM 856 CG LEU A 55 -1.292 -4.121 2.948 1.00 0.39 C ATOM 857 CD1 LEU A 55 -2.107 -3.660 1.737 1.00 0.64 C ATOM 858 CD2 LEU A 55 -0.780 -5.533 2.672 1.00 0.29 C ATOM 0 H LEU A 55 -1.946 -1.234 2.448 1.00 0.21 H new ATOM 0 HA LEU A 55 -0.588 -2.104 4.979 1.00 0.21 H new ATOM 0 HB2 LEU A 55 0.364 -2.925 2.219 1.00 0.13 H new ATOM 0 HB3 LEU A 55 0.676 -3.700 3.759 1.00 0.13 H new ATOM 0 HG LEU A 55 -1.922 -4.102 3.837 1.00 0.39 H new ATOM 0 HD11 LEU A 55 -2.953 -4.331 1.591 1.00 0.64 H new ATOM 0 HD12 LEU A 55 -2.472 -2.647 1.908 1.00 0.64 H new ATOM 0 HD13 LEU A 55 -1.477 -3.673 0.848 1.00 0.64 H new ATOM 0 HD21 LEU A 55 -1.626 -6.201 2.510 1.00 0.29 H new ATOM 0 HD22 LEU A 55 -0.149 -5.524 1.783 1.00 0.29 H new ATOM 0 HD23 LEU A 55 -0.199 -5.883 3.526 1.00 0.29 H new ATOM 870 N GLU A 56 1.570 -0.842 4.326 1.00 0.24 N ATOM 871 CA GLU A 56 2.617 0.205 4.133 1.00 0.28 C ATOM 872 C GLU A 56 4.001 -0.454 4.109 1.00 0.23 C ATOM 873 O GLU A 56 4.467 -0.957 5.112 1.00 0.23 O ATOM 874 CB GLU A 56 2.545 1.197 5.293 1.00 0.39 C ATOM 875 CG GLU A 56 3.602 2.283 5.094 1.00 0.56 C ATOM 876 CD GLU A 56 4.648 2.178 6.204 1.00 1.35 C ATOM 877 OE1 GLU A 56 4.313 2.587 7.304 1.00 1.14 O ATOM 878 OE2 GLU A 56 5.723 1.693 5.892 1.00 2.56 O ATOM 0 H GLU A 56 1.793 -1.558 5.018 1.00 0.24 H new ATOM 0 HA GLU A 56 2.450 0.726 3.190 1.00 0.28 H new ATOM 0 HB2 GLU A 56 1.552 1.644 5.343 1.00 0.39 H new ATOM 0 HB3 GLU A 56 2.710 0.681 6.239 1.00 0.39 H new ATOM 0 HG2 GLU A 56 4.077 2.171 4.119 1.00 0.56 H new ATOM 0 HG3 GLU A 56 3.136 3.268 5.110 1.00 0.56 H new ATOM 885 N VAL A 57 4.634 -0.436 2.964 1.00 0.21 N ATOM 886 CA VAL A 57 5.984 -1.073 2.867 1.00 0.17 C ATOM 887 C VAL A 57 7.087 -0.026 3.039 1.00 0.14 C ATOM 888 O VAL A 57 7.045 1.031 2.439 1.00 0.22 O ATOM 889 CB VAL A 57 6.134 -1.741 1.502 1.00 0.17 C ATOM 890 CG1 VAL A 57 7.575 -2.233 1.341 1.00 0.15 C ATOM 891 CG2 VAL A 57 5.184 -2.933 1.410 1.00 0.19 C ATOM 0 H VAL A 57 4.283 -0.015 2.104 1.00 0.21 H new ATOM 0 HA VAL A 57 6.076 -1.816 3.659 1.00 0.17 H new ATOM 0 HB VAL A 57 5.896 -1.024 0.716 1.00 0.17 H new ATOM 0 HG11 VAL A 57 7.690 -2.711 0.368 1.00 0.15 H new ATOM 0 HG12 VAL A 57 8.258 -1.387 1.412 1.00 0.15 H new ATOM 0 HG13 VAL A 57 7.804 -2.952 2.128 1.00 0.15 H new ATOM 0 HG21 VAL A 57 5.291 -3.409 0.436 1.00 0.19 H new ATOM 0 HG22 VAL A 57 5.425 -3.651 2.194 1.00 0.19 H new ATOM 0 HG23 VAL A 57 4.157 -2.590 1.535 1.00 0.19 H new ATOM 901 N ASP A 58 8.051 -0.347 3.858 1.00 0.06 N ATOM 902 CA ASP A 58 9.176 0.604 4.079 1.00 0.06 C ATOM 903 C ASP A 58 10.333 0.268 3.132 1.00 0.05 C ATOM 904 O ASP A 58 10.960 -0.764 3.258 1.00 0.05 O ATOM 905 CB ASP A 58 9.648 0.488 5.527 1.00 0.10 C ATOM 906 CG ASP A 58 10.681 1.578 5.813 1.00 0.10 C ATOM 907 OD1 ASP A 58 10.640 2.565 5.098 1.00 0.91 O ATOM 908 OD2 ASP A 58 11.455 1.363 6.732 1.00 1.09 O ATOM 0 H ASP A 58 8.108 -1.221 4.381 1.00 0.06 H new ATOM 0 HA ASP A 58 8.839 1.622 3.881 1.00 0.06 H new ATOM 0 HB2 ASP A 58 8.801 0.587 6.206 1.00 0.10 H new ATOM 0 HB3 ASP A 58 10.083 -0.496 5.701 1.00 0.10 H new ATOM 913 N VAL A 59 10.587 1.146 2.201 1.00 0.04 N ATOM 914 CA VAL A 59 11.692 0.888 1.231 1.00 0.06 C ATOM 915 C VAL A 59 13.056 1.097 1.900 1.00 0.11 C ATOM 916 O VAL A 59 13.982 1.582 1.280 1.00 0.36 O ATOM 917 CB VAL A 59 11.551 1.848 0.052 1.00 0.05 C ATOM 918 CG1 VAL A 59 10.213 1.592 -0.646 1.00 0.10 C ATOM 919 CG2 VAL A 59 11.583 3.290 0.566 1.00 0.03 C ATOM 0 H VAL A 59 10.084 2.023 2.069 1.00 0.04 H new ATOM 0 HA VAL A 59 11.629 -0.144 0.886 1.00 0.06 H new ATOM 0 HB VAL A 59 12.370 1.691 -0.650 1.00 0.05 H new ATOM 0 HG11 VAL A 59 10.106 2.275 -1.489 1.00 0.10 H new ATOM 0 HG12 VAL A 59 10.181 0.563 -1.005 1.00 0.10 H new ATOM 0 HG13 VAL A 59 9.398 1.756 0.059 1.00 0.10 H new ATOM 0 HG21 VAL A 59 11.483 3.978 -0.274 1.00 0.03 H new ATOM 0 HG22 VAL A 59 10.760 3.446 1.263 1.00 0.03 H new ATOM 0 HG23 VAL A 59 12.529 3.474 1.075 1.00 0.03 H new ATOM 929 N ASP A 60 13.145 0.720 3.153 1.00 0.15 N ATOM 930 CA ASP A 60 14.438 0.885 3.892 1.00 0.11 C ATOM 931 C ASP A 60 14.912 -0.467 4.432 1.00 0.13 C ATOM 932 O ASP A 60 16.053 -0.844 4.246 1.00 0.14 O ATOM 933 CB ASP A 60 14.223 1.848 5.057 1.00 0.19 C ATOM 934 CG ASP A 60 15.558 2.498 5.431 1.00 0.23 C ATOM 935 OD1 ASP A 60 15.873 3.491 4.797 1.00 1.78 O ATOM 936 OD2 ASP A 60 16.187 1.963 6.330 1.00 1.10 O ATOM 0 H ASP A 60 12.384 0.308 3.693 1.00 0.15 H new ATOM 0 HA ASP A 60 15.194 1.280 3.214 1.00 0.11 H new ATOM 0 HB2 ASP A 60 13.498 2.613 4.782 1.00 0.19 H new ATOM 0 HB3 ASP A 60 13.813 1.314 5.914 1.00 0.19 H new ATOM 941 N ASP A 61 14.020 -1.165 5.088 1.00 0.21 N ATOM 942 CA ASP A 61 14.388 -2.500 5.656 1.00 0.27 C ATOM 943 C ASP A 61 13.696 -3.618 4.870 1.00 0.23 C ATOM 944 O ASP A 61 13.973 -4.784 5.076 1.00 0.26 O ATOM 945 CB ASP A 61 13.945 -2.557 7.116 1.00 0.37 C ATOM 946 CG ASP A 61 14.495 -3.831 7.762 1.00 0.73 C ATOM 947 OD1 ASP A 61 15.693 -4.027 7.637 1.00 1.60 O ATOM 948 OD2 ASP A 61 13.687 -4.537 8.342 1.00 0.59 O ATOM 0 H ASP A 61 13.058 -0.871 5.255 1.00 0.21 H new ATOM 0 HA ASP A 61 15.467 -2.636 5.586 1.00 0.27 H new ATOM 0 HB2 ASP A 61 14.305 -1.679 7.652 1.00 0.37 H new ATOM 0 HB3 ASP A 61 12.857 -2.544 7.179 1.00 0.37 H new ATOM 953 N CYS A 62 12.810 -3.232 3.985 1.00 0.17 N ATOM 954 CA CYS A 62 12.077 -4.250 3.167 1.00 0.14 C ATOM 955 C CYS A 62 12.361 -4.033 1.678 1.00 0.13 C ATOM 956 O CYS A 62 11.523 -4.297 0.838 1.00 0.22 O ATOM 957 CB CYS A 62 10.578 -4.107 3.425 1.00 0.12 C ATOM 958 SG CYS A 62 10.061 -3.680 5.107 1.00 0.21 S ATOM 0 H CYS A 62 12.563 -2.261 3.794 1.00 0.17 H new ATOM 0 HA CYS A 62 12.411 -5.249 3.448 1.00 0.14 H new ATOM 0 HB2 CYS A 62 10.191 -3.344 2.749 1.00 0.12 H new ATOM 0 HB3 CYS A 62 10.098 -5.047 3.153 1.00 0.12 H new ATOM 0 HG CYS A 62 10.413 -4.629 5.923 1.00 0.21 H new ATOM 964 N GLN A 63 13.540 -3.557 1.382 1.00 0.06 N ATOM 965 CA GLN A 63 13.896 -3.316 -0.042 1.00 0.10 C ATOM 966 C GLN A 63 13.702 -4.594 -0.861 1.00 0.08 C ATOM 967 O GLN A 63 13.657 -4.557 -2.074 1.00 0.12 O ATOM 968 CB GLN A 63 15.355 -2.872 -0.126 1.00 0.13 C ATOM 969 CG GLN A 63 15.451 -1.391 0.250 1.00 1.09 C ATOM 970 CD GLN A 63 16.910 -0.939 0.152 1.00 1.32 C ATOM 971 OE1 GLN A 63 17.559 -1.114 -0.860 1.00 1.70 O ATOM 972 NE2 GLN A 63 17.462 -0.354 1.179 1.00 1.79 N ATOM 0 H GLN A 63 14.266 -3.327 2.060 1.00 0.06 H new ATOM 0 HA GLN A 63 13.248 -2.539 -0.446 1.00 0.10 H new ATOM 0 HB2 GLN A 63 15.970 -3.471 0.546 1.00 0.13 H new ATOM 0 HB3 GLN A 63 15.738 -3.030 -1.134 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.828 -0.794 -0.415 1.00 1.09 H new ATOM 0 HG3 GLN A 63 15.077 -1.236 1.262 1.00 1.09 H new ATOM 0 HE21 GLN A 63 16.922 -0.204 2.031 1.00 1.79 H new ATOM 0 HE22 GLN A 63 18.433 -0.046 1.130 1.00 1.79 H new ATOM 981 N ASP A 64 13.593 -5.696 -0.178 1.00 0.08 N ATOM 982 CA ASP A 64 13.402 -6.985 -0.894 1.00 0.12 C ATOM 983 C ASP A 64 12.033 -7.011 -1.567 1.00 0.16 C ATOM 984 O ASP A 64 11.887 -7.480 -2.678 1.00 0.27 O ATOM 985 CB ASP A 64 13.506 -8.135 0.105 1.00 0.13 C ATOM 986 CG ASP A 64 12.892 -7.704 1.439 1.00 0.28 C ATOM 987 OD1 ASP A 64 13.614 -7.062 2.184 1.00 1.78 O ATOM 988 OD2 ASP A 64 11.736 -8.042 1.636 1.00 1.10 O ATOM 0 H ASP A 64 13.628 -5.761 0.839 1.00 0.08 H new ATOM 0 HA ASP A 64 14.172 -7.091 -1.658 1.00 0.12 H new ATOM 0 HB2 ASP A 64 12.988 -9.014 -0.280 1.00 0.13 H new ATOM 0 HB3 ASP A 64 14.550 -8.416 0.246 1.00 0.13 H new ATOM 993 N VAL A 65 11.063 -6.507 -0.872 1.00 0.09 N ATOM 994 CA VAL A 65 9.691 -6.482 -1.435 1.00 0.12 C ATOM 995 C VAL A 65 9.591 -5.440 -2.544 1.00 0.19 C ATOM 996 O VAL A 65 8.989 -5.673 -3.573 1.00 0.27 O ATOM 997 CB VAL A 65 8.708 -6.149 -0.328 1.00 0.09 C ATOM 998 CG1 VAL A 65 7.285 -6.427 -0.814 1.00 0.09 C ATOM 999 CG2 VAL A 65 9.008 -7.027 0.889 1.00 0.04 C ATOM 0 H VAL A 65 11.159 -6.110 0.063 1.00 0.09 H new ATOM 0 HA VAL A 65 9.457 -7.460 -1.856 1.00 0.12 H new ATOM 0 HB VAL A 65 8.802 -5.098 -0.056 1.00 0.09 H new ATOM 0 HG11 VAL A 65 6.577 -6.189 -0.021 1.00 0.09 H new ATOM 0 HG12 VAL A 65 7.072 -5.811 -1.688 1.00 0.09 H new ATOM 0 HG13 VAL A 65 7.191 -7.480 -1.080 1.00 0.09 H new ATOM 0 HG21 VAL A 65 8.305 -6.793 1.689 1.00 0.04 H new ATOM 0 HG22 VAL A 65 8.908 -8.077 0.614 1.00 0.04 H new ATOM 0 HG23 VAL A 65 10.025 -6.837 1.233 1.00 0.04 H new ATOM 1009 N ALA A 66 10.185 -4.311 -2.309 1.00 0.19 N ATOM 1010 CA ALA A 66 10.149 -3.237 -3.335 1.00 0.28 C ATOM 1011 C ALA A 66 10.772 -3.744 -4.632 1.00 0.33 C ATOM 1012 O ALA A 66 10.234 -3.554 -5.706 1.00 0.37 O ATOM 1013 CB ALA A 66 10.935 -2.029 -2.826 1.00 0.34 C ATOM 0 H ALA A 66 10.693 -4.083 -1.454 1.00 0.19 H new ATOM 0 HA ALA A 66 9.115 -2.948 -3.524 1.00 0.28 H new ATOM 0 HB1 ALA A 66 10.912 -1.238 -3.575 1.00 0.34 H new ATOM 0 HB2 ALA A 66 10.486 -1.666 -1.901 1.00 0.34 H new ATOM 0 HB3 ALA A 66 11.968 -2.320 -2.638 1.00 0.34 H new ATOM 1019 N SER A 67 11.894 -4.379 -4.498 1.00 0.33 N ATOM 1020 CA SER A 67 12.582 -4.921 -5.698 1.00 0.39 C ATOM 1021 C SER A 67 11.703 -5.974 -6.369 1.00 0.38 C ATOM 1022 O SER A 67 11.916 -6.336 -7.509 1.00 0.42 O ATOM 1023 CB SER A 67 13.907 -5.553 -5.276 1.00 0.42 C ATOM 1024 OG SER A 67 14.441 -6.078 -6.482 1.00 1.42 O ATOM 0 H SER A 67 12.367 -4.548 -3.610 1.00 0.33 H new ATOM 0 HA SER A 67 12.770 -4.112 -6.404 1.00 0.39 H new ATOM 0 HB2 SER A 67 14.576 -4.816 -4.831 1.00 0.42 H new ATOM 0 HB3 SER A 67 13.756 -6.336 -4.533 1.00 0.42 H new ATOM 0 HG SER A 67 13.729 -6.151 -7.151 1.00 1.42 H new ATOM 1030 N GLU A 68 10.731 -6.441 -5.641 1.00 0.33 N ATOM 1031 CA GLU A 68 9.817 -7.462 -6.204 1.00 0.33 C ATOM 1032 C GLU A 68 8.871 -6.801 -7.197 1.00 0.33 C ATOM 1033 O GLU A 68 8.503 -7.378 -8.201 1.00 0.36 O ATOM 1034 CB GLU A 68 9.013 -8.093 -5.069 1.00 0.27 C ATOM 1035 CG GLU A 68 8.555 -9.489 -5.487 1.00 0.34 C ATOM 1036 CD GLU A 68 7.651 -9.378 -6.716 1.00 1.31 C ATOM 1037 OE1 GLU A 68 6.570 -8.841 -6.547 1.00 2.05 O ATOM 1038 OE2 GLU A 68 8.093 -9.838 -7.757 1.00 2.33 O ATOM 0 H GLU A 68 10.532 -6.159 -4.681 1.00 0.33 H new ATOM 0 HA GLU A 68 10.393 -8.233 -6.715 1.00 0.33 H new ATOM 0 HB2 GLU A 68 9.622 -8.153 -4.167 1.00 0.27 H new ATOM 0 HB3 GLU A 68 8.150 -7.471 -4.830 1.00 0.27 H new ATOM 0 HG2 GLU A 68 9.418 -10.115 -5.712 1.00 0.34 H new ATOM 0 HG3 GLU A 68 8.018 -9.968 -4.668 1.00 0.34 H new ATOM 1045 N CYS A 69 8.502 -5.599 -6.885 1.00 0.32 N ATOM 1046 CA CYS A 69 7.589 -4.847 -7.785 1.00 0.33 C ATOM 1047 C CYS A 69 8.416 -4.039 -8.787 1.00 0.38 C ATOM 1048 O CYS A 69 7.883 -3.401 -9.673 1.00 0.45 O ATOM 1049 CB CYS A 69 6.730 -3.907 -6.943 1.00 0.31 C ATOM 1050 SG CYS A 69 5.509 -4.664 -5.845 1.00 0.22 S ATOM 0 H CYS A 69 8.792 -5.100 -6.044 1.00 0.32 H new ATOM 0 HA CYS A 69 6.947 -5.539 -8.330 1.00 0.33 H new ATOM 0 HB2 CYS A 69 7.396 -3.294 -6.336 1.00 0.31 H new ATOM 0 HB3 CYS A 69 6.204 -3.233 -7.619 1.00 0.31 H new ATOM 0 HG CYS A 69 4.317 -4.276 -6.188 1.00 0.22 H new ATOM 1056 N GLU A 70 9.711 -4.089 -8.616 1.00 0.34 N ATOM 1057 CA GLU A 70 10.611 -3.342 -9.541 1.00 0.39 C ATOM 1058 C GLU A 70 10.304 -1.844 -9.504 1.00 0.41 C ATOM 1059 O GLU A 70 10.197 -1.206 -10.533 1.00 0.44 O ATOM 1060 CB GLU A 70 10.420 -3.868 -10.962 1.00 0.42 C ATOM 1061 CG GLU A 70 11.734 -3.716 -11.733 1.00 0.86 C ATOM 1062 CD GLU A 70 11.454 -3.798 -13.234 1.00 0.99 C ATOM 1063 OE1 GLU A 70 10.810 -4.762 -13.614 1.00 1.07 O ATOM 1064 OE2 GLU A 70 11.900 -2.891 -13.918 1.00 1.77 O ATOM 0 H GLU A 70 10.182 -4.613 -7.879 1.00 0.34 H new ATOM 0 HA GLU A 70 11.643 -3.491 -9.223 1.00 0.39 H new ATOM 0 HB2 GLU A 70 10.117 -4.915 -10.938 1.00 0.42 H new ATOM 0 HB3 GLU A 70 9.624 -3.317 -11.463 1.00 0.42 H new ATOM 0 HG2 GLU A 70 12.202 -2.762 -11.491 1.00 0.86 H new ATOM 0 HG3 GLU A 70 12.434 -4.498 -11.439 1.00 0.86 H new ATOM 1071 N VAL A 71 10.169 -1.310 -8.320 1.00 0.38 N ATOM 1072 CA VAL A 71 9.879 0.152 -8.217 1.00 0.40 C ATOM 1073 C VAL A 71 11.188 0.947 -8.180 1.00 0.41 C ATOM 1074 O VAL A 71 12.221 0.432 -7.800 1.00 0.45 O ATOM 1075 CB VAL A 71 9.086 0.429 -6.941 1.00 0.41 C ATOM 1076 CG1 VAL A 71 8.069 1.538 -7.215 1.00 0.49 C ATOM 1077 CG2 VAL A 71 8.342 -0.840 -6.523 1.00 0.52 C ATOM 0 H VAL A 71 10.245 -1.810 -7.434 1.00 0.38 H new ATOM 0 HA VAL A 71 9.297 0.458 -9.086 1.00 0.40 H new ATOM 0 HB VAL A 71 9.765 0.736 -6.145 1.00 0.41 H new ATOM 0 HG11 VAL A 71 7.499 1.741 -6.308 1.00 0.49 H new ATOM 0 HG12 VAL A 71 8.592 2.443 -7.525 1.00 0.49 H new ATOM 0 HG13 VAL A 71 7.390 1.222 -8.007 1.00 0.49 H new ATOM 0 HG21 VAL A 71 7.775 -0.646 -5.613 1.00 0.52 H new ATOM 0 HG22 VAL A 71 7.660 -1.141 -7.318 1.00 0.52 H new ATOM 0 HG23 VAL A 71 9.060 -1.639 -6.340 1.00 0.52 H new ATOM 1087 N LYS A 72 11.113 2.186 -8.578 1.00 0.46 N ATOM 1088 CA LYS A 72 12.339 3.037 -8.572 1.00 0.53 C ATOM 1089 C LYS A 72 11.976 4.467 -8.167 1.00 0.46 C ATOM 1090 O LYS A 72 12.716 5.396 -8.426 1.00 0.50 O ATOM 1091 CB LYS A 72 12.953 3.046 -9.972 1.00 0.73 C ATOM 1092 CG LYS A 72 14.406 2.561 -9.886 1.00 1.13 C ATOM 1093 CD LYS A 72 15.052 2.618 -11.279 1.00 1.04 C ATOM 1094 CE LYS A 72 14.923 1.250 -11.959 1.00 1.85 C ATOM 1095 NZ LYS A 72 13.490 0.887 -12.139 1.00 3.07 N ATOM 0 H LYS A 72 10.263 2.645 -8.905 1.00 0.46 H new ATOM 0 HA LYS A 72 13.056 2.633 -7.857 1.00 0.53 H new ATOM 0 HB2 LYS A 72 12.380 2.401 -10.638 1.00 0.73 H new ATOM 0 HB3 LYS A 72 12.916 4.051 -10.392 1.00 0.73 H new ATOM 0 HG2 LYS A 72 14.967 3.183 -9.188 1.00 1.13 H new ATOM 0 HG3 LYS A 72 14.438 1.542 -9.501 1.00 1.13 H new ATOM 0 HD2 LYS A 72 14.568 3.384 -11.885 1.00 1.04 H new ATOM 0 HD3 LYS A 72 16.103 2.896 -11.193 1.00 1.04 H new ATOM 0 HE2 LYS A 72 15.423 1.271 -12.927 1.00 1.85 H new ATOM 0 HE3 LYS A 72 15.423 0.491 -11.358 1.00 1.85 H new ATOM 0 HZ1 LYS A 72 13.412 0.111 -12.827 1.00 3.07 H new ATOM 0 HZ2 LYS A 72 13.092 0.583 -11.228 1.00 3.07 H new ATOM 0 HZ3 LYS A 72 12.964 1.713 -12.489 1.00 3.07 H new ATOM 1109 N CYS A 73 10.843 4.612 -7.537 1.00 0.40 N ATOM 1110 CA CYS A 73 10.412 5.975 -7.110 1.00 0.37 C ATOM 1111 C CYS A 73 9.288 5.877 -6.084 1.00 0.38 C ATOM 1112 O CYS A 73 8.410 5.043 -6.199 1.00 0.56 O ATOM 1113 CB CYS A 73 9.923 6.753 -8.331 1.00 0.44 C ATOM 1114 SG CYS A 73 8.784 5.906 -9.454 1.00 0.45 S ATOM 0 H CYS A 73 10.202 3.855 -7.301 1.00 0.40 H new ATOM 0 HA CYS A 73 11.258 6.491 -6.656 1.00 0.37 H new ATOM 0 HB2 CYS A 73 9.435 7.662 -7.979 1.00 0.44 H new ATOM 0 HB3 CYS A 73 10.796 7.062 -8.906 1.00 0.44 H new ATOM 0 HG CYS A 73 8.466 6.702 -10.431 1.00 0.45 H new ATOM 1120 N THR A 74 9.348 6.736 -5.101 1.00 0.28 N ATOM 1121 CA THR A 74 8.302 6.731 -4.039 1.00 0.28 C ATOM 1122 C THR A 74 7.662 8.134 -3.948 1.00 0.28 C ATOM 1123 O THR A 74 8.288 9.115 -4.297 1.00 0.28 O ATOM 1124 CB THR A 74 8.977 6.382 -2.706 1.00 0.28 C ATOM 1125 OG1 THR A 74 10.228 7.062 -2.747 1.00 0.34 O ATOM 1126 CG2 THR A 74 9.331 4.899 -2.637 1.00 0.29 C ATOM 0 H THR A 74 10.077 7.441 -4.988 1.00 0.28 H new ATOM 0 HA THR A 74 7.526 6.001 -4.269 1.00 0.28 H new ATOM 0 HB THR A 74 8.323 6.642 -1.874 1.00 0.28 H new ATOM 0 HG1 THR A 74 10.723 6.887 -1.919 1.00 0.34 H new ATOM 0 HG21 THR A 74 9.808 4.683 -1.681 1.00 0.29 H new ATOM 0 HG22 THR A 74 8.423 4.303 -2.733 1.00 0.29 H new ATOM 0 HG23 THR A 74 10.015 4.650 -3.448 1.00 0.29 H new ATOM 1134 N PRO A 75 6.423 8.213 -3.480 1.00 0.28 N ATOM 1135 CA PRO A 75 5.610 7.051 -3.052 1.00 0.28 C ATOM 1136 C PRO A 75 5.014 6.325 -4.270 1.00 0.28 C ATOM 1137 O PRO A 75 4.790 6.928 -5.304 1.00 0.29 O ATOM 1138 CB PRO A 75 4.478 7.660 -2.220 1.00 0.28 C ATOM 1139 CG PRO A 75 4.517 9.202 -2.452 1.00 0.29 C ATOM 1140 CD PRO A 75 5.764 9.506 -3.305 1.00 0.30 C ATOM 0 HA PRO A 75 6.203 6.322 -2.500 1.00 0.28 H new ATOM 0 HB2 PRO A 75 3.514 7.249 -2.522 1.00 0.28 H new ATOM 0 HB3 PRO A 75 4.608 7.426 -1.163 1.00 0.28 H new ATOM 0 HG2 PRO A 75 3.613 9.537 -2.960 1.00 0.29 H new ATOM 0 HG3 PRO A 75 4.563 9.733 -1.501 1.00 0.29 H new ATOM 0 HD2 PRO A 75 5.489 9.943 -4.265 1.00 0.30 H new ATOM 0 HD3 PRO A 75 6.420 10.220 -2.806 1.00 0.30 H new ATOM 1148 N THR A 76 4.769 5.047 -4.117 1.00 0.26 N ATOM 1149 CA THR A 76 4.179 4.265 -5.247 1.00 0.27 C ATOM 1150 C THR A 76 3.022 3.401 -4.730 1.00 0.28 C ATOM 1151 O THR A 76 3.223 2.497 -3.945 1.00 0.43 O ATOM 1152 CB THR A 76 5.262 3.374 -5.864 1.00 0.27 C ATOM 1153 OG1 THR A 76 6.078 4.265 -6.617 1.00 0.24 O ATOM 1154 CG2 THR A 76 4.679 2.402 -6.887 1.00 0.31 C ATOM 0 H THR A 76 4.950 4.515 -3.266 1.00 0.26 H new ATOM 0 HA THR A 76 3.798 4.949 -6.005 1.00 0.27 H new ATOM 0 HB THR A 76 5.770 2.812 -5.080 1.00 0.27 H new ATOM 0 HG1 THR A 76 6.936 4.387 -6.160 1.00 0.24 H new ATOM 0 HG21 THR A 76 5.478 1.788 -7.302 1.00 0.31 H new ATOM 0 HG22 THR A 76 3.943 1.761 -6.402 1.00 0.31 H new ATOM 0 HG23 THR A 76 4.199 2.963 -7.689 1.00 0.31 H new ATOM 1162 N PHE A 77 1.832 3.699 -5.185 1.00 0.15 N ATOM 1163 CA PHE A 77 0.650 2.911 -4.719 1.00 0.14 C ATOM 1164 C PHE A 77 0.406 1.707 -5.625 1.00 0.14 C ATOM 1165 O PHE A 77 0.417 1.826 -6.835 1.00 0.16 O ATOM 1166 CB PHE A 77 -0.587 3.803 -4.741 1.00 0.13 C ATOM 1167 CG PHE A 77 -0.544 4.756 -3.551 1.00 0.13 C ATOM 1168 CD1 PHE A 77 -0.693 4.269 -2.268 1.00 0.12 C ATOM 1169 CD2 PHE A 77 -0.358 6.115 -3.739 1.00 0.17 C ATOM 1170 CE1 PHE A 77 -0.659 5.128 -1.187 1.00 0.12 C ATOM 1171 CE2 PHE A 77 -0.322 6.970 -2.659 1.00 0.18 C ATOM 1172 CZ PHE A 77 -0.473 6.477 -1.383 1.00 0.15 C ATOM 0 H PHE A 77 1.628 4.444 -5.851 1.00 0.15 H new ATOM 0 HA PHE A 77 0.848 2.556 -3.708 1.00 0.14 H new ATOM 0 HB2 PHE A 77 -0.625 4.368 -5.672 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.490 3.193 -4.701 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.837 3.211 -2.109 1.00 0.12 H new ATOM 0 HD2 PHE A 77 -0.240 6.507 -4.738 1.00 0.17 H new ATOM 0 HE1 PHE A 77 -0.779 4.740 -0.186 1.00 0.12 H new ATOM 0 HE2 PHE A 77 -0.175 8.029 -2.814 1.00 0.18 H new ATOM 0 HZ PHE A 77 -0.446 7.148 -0.537 1.00 0.15 H new ATOM 1182 N GLN A 78 0.191 0.571 -5.012 1.00 0.14 N ATOM 1183 CA GLN A 78 -0.080 -0.668 -5.814 1.00 0.15 C ATOM 1184 C GLN A 78 -1.394 -1.318 -5.368 1.00 0.13 C ATOM 1185 O GLN A 78 -1.787 -1.215 -4.223 1.00 0.13 O ATOM 1186 CB GLN A 78 1.066 -1.649 -5.619 1.00 0.18 C ATOM 1187 CG GLN A 78 2.201 -1.298 -6.584 1.00 0.28 C ATOM 1188 CD GLN A 78 3.343 -2.296 -6.403 1.00 0.66 C ATOM 1189 OE1 GLN A 78 3.129 -3.488 -6.320 1.00 1.47 O ATOM 1190 NE2 GLN A 78 4.568 -1.852 -6.336 1.00 0.58 N ATOM 0 H GLN A 78 0.190 0.444 -4.000 1.00 0.14 H new ATOM 0 HA GLN A 78 -0.164 -0.399 -6.867 1.00 0.15 H new ATOM 0 HB2 GLN A 78 1.423 -1.609 -4.590 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.723 -2.668 -5.798 1.00 0.18 H new ATOM 0 HG2 GLN A 78 1.840 -1.323 -7.612 1.00 0.28 H new ATOM 0 HG3 GLN A 78 2.555 -0.285 -6.395 1.00 0.28 H new ATOM 0 HE21 GLN A 78 4.752 -0.851 -6.405 1.00 0.58 H new ATOM 0 HE22 GLN A 78 5.341 -2.506 -6.214 1.00 0.58 H new ATOM 1199 N PHE A 79 -2.038 -1.977 -6.298 1.00 0.13 N ATOM 1200 CA PHE A 79 -3.341 -2.642 -5.985 1.00 0.12 C ATOM 1201 C PHE A 79 -3.191 -4.162 -6.113 1.00 0.10 C ATOM 1202 O PHE A 79 -2.834 -4.655 -7.163 1.00 0.11 O ATOM 1203 CB PHE A 79 -4.393 -2.159 -6.992 1.00 0.14 C ATOM 1204 CG PHE A 79 -4.818 -0.718 -6.663 1.00 0.16 C ATOM 1205 CD1 PHE A 79 -3.894 0.320 -6.688 1.00 0.12 C ATOM 1206 CD2 PHE A 79 -6.135 -0.430 -6.338 1.00 0.22 C ATOM 1207 CE1 PHE A 79 -4.284 1.609 -6.391 1.00 0.15 C ATOM 1208 CE2 PHE A 79 -6.517 0.863 -6.043 1.00 0.24 C ATOM 1209 CZ PHE A 79 -5.591 1.879 -6.069 1.00 0.21 C ATOM 0 H PHE A 79 -1.718 -2.084 -7.261 1.00 0.13 H new ATOM 0 HA PHE A 79 -3.644 -2.393 -4.968 1.00 0.12 H new ATOM 0 HB2 PHE A 79 -3.988 -2.205 -8.003 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.261 -2.817 -6.966 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.864 0.116 -6.942 1.00 0.12 H new ATOM 0 HD2 PHE A 79 -6.867 -1.224 -6.316 1.00 0.22 H new ATOM 0 HE1 PHE A 79 -3.559 2.409 -6.412 1.00 0.15 H new ATOM 0 HE2 PHE A 79 -7.545 1.077 -5.791 1.00 0.24 H new ATOM 0 HZ PHE A 79 -5.892 2.890 -5.836 1.00 0.21 H new ATOM 1219 N PHE A 80 -3.471 -4.872 -5.042 1.00 0.10 N ATOM 1220 CA PHE A 80 -3.349 -6.365 -5.093 1.00 0.13 C ATOM 1221 C PHE A 80 -4.709 -7.013 -4.806 1.00 0.15 C ATOM 1222 O PHE A 80 -5.447 -6.568 -3.944 1.00 0.15 O ATOM 1223 CB PHE A 80 -2.328 -6.821 -4.053 1.00 0.12 C ATOM 1224 CG PHE A 80 -0.919 -6.512 -4.554 1.00 0.12 C ATOM 1225 CD1 PHE A 80 -0.307 -7.326 -5.492 1.00 0.13 C ATOM 1226 CD2 PHE A 80 -0.234 -5.411 -4.072 1.00 0.17 C ATOM 1227 CE1 PHE A 80 0.966 -7.040 -5.938 1.00 0.16 C ATOM 1228 CE2 PHE A 80 1.038 -5.130 -4.520 1.00 0.19 C ATOM 1229 CZ PHE A 80 1.638 -5.944 -5.450 1.00 0.18 C ATOM 0 H PHE A 80 -3.774 -4.488 -4.147 1.00 0.10 H new ATOM 0 HA PHE A 80 -3.019 -6.668 -6.087 1.00 0.13 H new ATOM 0 HB2 PHE A 80 -2.508 -6.314 -3.105 1.00 0.12 H new ATOM 0 HB3 PHE A 80 -2.434 -7.890 -3.868 1.00 0.12 H new ATOM 0 HD1 PHE A 80 -0.829 -8.190 -5.876 1.00 0.13 H new ATOM 0 HD2 PHE A 80 -0.699 -4.768 -3.340 1.00 0.17 H new ATOM 0 HE1 PHE A 80 1.436 -7.678 -6.672 1.00 0.16 H new ATOM 0 HE2 PHE A 80 1.565 -4.268 -4.139 1.00 0.19 H new ATOM 0 HZ PHE A 80 2.636 -5.723 -5.797 1.00 0.18 H new ATOM 1239 N LYS A 81 -5.009 -8.049 -5.544 1.00 0.19 N ATOM 1240 CA LYS A 81 -6.311 -8.749 -5.342 1.00 0.22 C ATOM 1241 C LYS A 81 -6.137 -10.253 -5.585 1.00 0.42 C ATOM 1242 O LYS A 81 -5.449 -10.658 -6.501 1.00 0.49 O ATOM 1243 CB LYS A 81 -7.336 -8.188 -6.328 1.00 0.15 C ATOM 1244 CG LYS A 81 -8.695 -8.072 -5.635 1.00 0.67 C ATOM 1245 CD LYS A 81 -9.737 -7.602 -6.653 1.00 0.52 C ATOM 1246 CE LYS A 81 -11.103 -7.521 -5.972 1.00 0.64 C ATOM 1247 NZ LYS A 81 -11.023 -6.695 -4.735 1.00 2.53 N ATOM 0 H LYS A 81 -4.413 -8.439 -6.274 1.00 0.19 H new ATOM 0 HA LYS A 81 -6.655 -8.591 -4.320 1.00 0.22 H new ATOM 0 HB2 LYS A 81 -7.014 -7.211 -6.688 1.00 0.15 H new ATOM 0 HB3 LYS A 81 -7.414 -8.839 -7.199 1.00 0.15 H new ATOM 0 HG2 LYS A 81 -8.987 -9.035 -5.215 1.00 0.67 H new ATOM 0 HG3 LYS A 81 -8.635 -7.368 -4.805 1.00 0.67 H new ATOM 0 HD2 LYS A 81 -9.458 -6.627 -7.053 1.00 0.52 H new ATOM 0 HD3 LYS A 81 -9.777 -8.293 -7.495 1.00 0.52 H new ATOM 0 HE2 LYS A 81 -11.832 -7.089 -6.658 1.00 0.64 H new ATOM 0 HE3 LYS A 81 -11.452 -8.523 -5.725 1.00 0.64 H new ATOM 0 HZ1 LYS A 81 -11.964 -6.312 -4.512 1.00 2.53 H new ATOM 0 HZ2 LYS A 81 -10.693 -7.285 -3.945 1.00 2.53 H new ATOM 0 HZ3 LYS A 81 -10.356 -5.911 -4.884 1.00 2.53 H new ATOM 1261 N LYS A 82 -6.764 -11.047 -4.760 1.00 0.62 N ATOM 1262 CA LYS A 82 -6.639 -12.524 -4.932 1.00 0.86 C ATOM 1263 C LYS A 82 -5.162 -12.918 -5.046 1.00 0.84 C ATOM 1264 O LYS A 82 -4.838 -14.014 -5.461 1.00 1.12 O ATOM 1265 CB LYS A 82 -7.378 -12.948 -6.202 1.00 0.98 C ATOM 1266 CG LYS A 82 -8.856 -12.573 -6.074 1.00 1.71 C ATOM 1267 CD LYS A 82 -9.682 -13.466 -7.004 1.00 1.76 C ATOM 1268 CE LYS A 82 -11.065 -12.845 -7.199 1.00 2.75 C ATOM 1269 NZ LYS A 82 -11.908 -13.710 -8.069 1.00 3.31 N ATOM 0 H LYS A 82 -7.351 -10.743 -3.983 1.00 0.62 H new ATOM 0 HA LYS A 82 -7.074 -13.023 -4.066 1.00 0.86 H new ATOM 0 HB2 LYS A 82 -6.940 -12.458 -7.072 1.00 0.98 H new ATOM 0 HB3 LYS A 82 -7.275 -14.022 -6.355 1.00 0.98 H new ATOM 0 HG2 LYS A 82 -9.187 -12.696 -5.043 1.00 1.71 H new ATOM 0 HG3 LYS A 82 -9.002 -11.524 -6.333 1.00 1.71 H new ATOM 0 HD2 LYS A 82 -9.180 -13.574 -7.965 1.00 1.76 H new ATOM 0 HD3 LYS A 82 -9.776 -14.466 -6.580 1.00 1.76 H new ATOM 0 HE2 LYS A 82 -11.549 -12.710 -6.232 1.00 2.75 H new ATOM 0 HE3 LYS A 82 -10.966 -11.856 -7.646 1.00 2.75 H new ATOM 0 HZ1 LYS A 82 -12.844 -13.273 -8.191 1.00 3.31 H new ATOM 0 HZ2 LYS A 82 -11.452 -13.817 -8.998 1.00 3.31 H new ATOM 0 HZ3 LYS A 82 -12.018 -14.645 -7.627 1.00 3.31 H new ATOM 1283 N GLY A 83 -4.297 -12.014 -4.674 1.00 0.55 N ATOM 1284 CA GLY A 83 -2.841 -12.319 -4.752 1.00 0.53 C ATOM 1285 C GLY A 83 -2.300 -11.993 -6.146 1.00 0.50 C ATOM 1286 O GLY A 83 -1.383 -12.630 -6.624 1.00 0.72 O ATOM 0 H GLY A 83 -4.533 -11.086 -4.323 1.00 0.55 H new ATOM 0 HA2 GLY A 83 -2.302 -11.741 -4.002 1.00 0.53 H new ATOM 0 HA3 GLY A 83 -2.671 -13.372 -4.526 1.00 0.53 H new ATOM 1290 N GLN A 84 -2.881 -11.004 -6.769 1.00 0.34 N ATOM 1291 CA GLN A 84 -2.410 -10.622 -8.132 1.00 0.37 C ATOM 1292 C GLN A 84 -2.542 -9.111 -8.335 1.00 0.30 C ATOM 1293 O GLN A 84 -3.574 -8.532 -8.055 1.00 0.31 O ATOM 1294 CB GLN A 84 -3.252 -11.354 -9.177 1.00 0.46 C ATOM 1295 CG GLN A 84 -2.436 -12.513 -9.754 1.00 1.32 C ATOM 1296 CD GLN A 84 -3.328 -13.355 -10.668 1.00 1.12 C ATOM 1297 OE1 GLN A 84 -3.367 -14.566 -10.571 1.00 1.70 O ATOM 1298 NE2 GLN A 84 -4.062 -12.756 -11.566 1.00 1.30 N ATOM 0 H GLN A 84 -3.653 -10.449 -6.399 1.00 0.34 H new ATOM 0 HA GLN A 84 -1.361 -10.900 -8.239 1.00 0.37 H new ATOM 0 HB2 GLN A 84 -4.170 -11.729 -8.725 1.00 0.46 H new ATOM 0 HB3 GLN A 84 -3.545 -10.668 -9.972 1.00 0.46 H new ATOM 0 HG2 GLN A 84 -1.583 -12.129 -10.313 1.00 1.32 H new ATOM 0 HG3 GLN A 84 -2.038 -13.129 -8.948 1.00 1.32 H new ATOM 0 HE21 GLN A 84 -4.034 -11.740 -11.653 1.00 1.30 H new ATOM 0 HE22 GLN A 84 -4.664 -13.304 -12.181 1.00 1.30 H new ATOM 1307 N LYS A 85 -1.491 -8.506 -8.815 1.00 0.29 N ATOM 1308 CA LYS A 85 -1.529 -7.037 -9.041 1.00 0.24 C ATOM 1309 C LYS A 85 -2.508 -6.706 -10.175 1.00 0.29 C ATOM 1310 O LYS A 85 -2.461 -7.311 -11.230 1.00 0.48 O ATOM 1311 CB LYS A 85 -0.115 -6.569 -9.415 1.00 0.30 C ATOM 1312 CG LYS A 85 -0.001 -5.042 -9.274 1.00 0.33 C ATOM 1313 CD LYS A 85 1.456 -4.677 -8.972 1.00 0.59 C ATOM 1314 CE LYS A 85 2.343 -5.138 -10.130 1.00 0.82 C ATOM 1315 NZ LYS A 85 3.721 -4.594 -9.980 1.00 1.48 N ATOM 0 H LYS A 85 -0.613 -8.964 -9.059 1.00 0.29 H new ATOM 0 HA LYS A 85 -1.864 -6.528 -8.137 1.00 0.24 H new ATOM 0 HB2 LYS A 85 0.618 -7.056 -8.772 1.00 0.30 H new ATOM 0 HB3 LYS A 85 0.114 -6.864 -10.439 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -0.329 -4.554 -10.192 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -0.651 -4.688 -8.474 1.00 0.33 H new ATOM 0 HD2 LYS A 85 1.552 -3.600 -8.832 1.00 0.59 H new ATOM 0 HD3 LYS A 85 1.776 -5.149 -8.043 1.00 0.59 H new ATOM 0 HE2 LYS A 85 2.377 -6.227 -10.159 1.00 0.82 H new ATOM 0 HE3 LYS A 85 1.916 -4.807 -11.077 1.00 0.82 H new ATOM 0 HZ1 LYS A 85 4.310 -4.916 -10.774 1.00 1.48 H new ATOM 0 HZ2 LYS A 85 3.685 -3.555 -9.975 1.00 1.48 H new ATOM 0 HZ3 LYS A 85 4.132 -4.930 -9.086 1.00 1.48 H new ATOM 1329 N VAL A 86 -3.373 -5.749 -9.930 1.00 0.14 N ATOM 1330 CA VAL A 86 -4.378 -5.365 -10.977 1.00 0.19 C ATOM 1331 C VAL A 86 -4.300 -3.864 -11.283 1.00 0.15 C ATOM 1332 O VAL A 86 -4.763 -3.418 -12.314 1.00 0.13 O ATOM 1333 CB VAL A 86 -5.775 -5.702 -10.462 1.00 0.23 C ATOM 1334 CG1 VAL A 86 -6.017 -7.205 -10.608 1.00 0.27 C ATOM 1335 CG2 VAL A 86 -5.870 -5.317 -8.985 1.00 0.20 C ATOM 0 H VAL A 86 -3.428 -5.221 -9.059 1.00 0.14 H new ATOM 0 HA VAL A 86 -4.164 -5.916 -11.893 1.00 0.19 H new ATOM 0 HB VAL A 86 -6.522 -5.153 -11.035 1.00 0.23 H new ATOM 0 HG11 VAL A 86 -7.014 -7.450 -10.241 1.00 0.27 H new ATOM 0 HG12 VAL A 86 -5.937 -7.486 -11.658 1.00 0.27 H new ATOM 0 HG13 VAL A 86 -5.273 -7.751 -10.029 1.00 0.27 H new ATOM 0 HG21 VAL A 86 -6.866 -5.555 -8.610 1.00 0.20 H new ATOM 0 HG22 VAL A 86 -5.125 -5.873 -8.415 1.00 0.20 H new ATOM 0 HG23 VAL A 86 -5.687 -4.248 -8.875 1.00 0.20 H new ATOM 1345 N GLY A 87 -3.723 -3.116 -10.384 1.00 0.14 N ATOM 1346 CA GLY A 87 -3.619 -1.647 -10.621 1.00 0.11 C ATOM 1347 C GLY A 87 -2.354 -1.084 -9.974 1.00 0.14 C ATOM 1348 O GLY A 87 -1.918 -1.558 -8.943 1.00 0.16 O ATOM 0 H GLY A 87 -3.324 -3.451 -9.507 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.606 -1.446 -11.692 1.00 0.11 H new ATOM 0 HA3 GLY A 87 -4.496 -1.145 -10.214 1.00 0.11 H new ATOM 1352 N GLU A 88 -1.787 -0.082 -10.593 1.00 0.18 N ATOM 1353 CA GLU A 88 -0.549 0.519 -10.020 1.00 0.21 C ATOM 1354 C GLU A 88 -0.361 1.951 -10.532 1.00 0.17 C ATOM 1355 O GLU A 88 -0.310 2.191 -11.722 1.00 0.23 O ATOM 1356 CB GLU A 88 0.651 -0.333 -10.435 1.00 0.34 C ATOM 1357 CG GLU A 88 1.944 0.357 -9.991 1.00 1.30 C ATOM 1358 CD GLU A 88 2.592 1.043 -11.196 1.00 1.98 C ATOM 1359 OE1 GLU A 88 2.047 2.056 -11.601 1.00 3.14 O ATOM 1360 OE2 GLU A 88 3.596 0.515 -11.644 1.00 2.03 O ATOM 0 H GLU A 88 -2.122 0.341 -11.459 1.00 0.18 H new ATOM 0 HA GLU A 88 -0.633 0.547 -8.934 1.00 0.21 H new ATOM 0 HB2 GLU A 88 0.581 -1.323 -9.984 1.00 0.34 H new ATOM 0 HB3 GLU A 88 0.654 -0.474 -11.516 1.00 0.34 H new ATOM 0 HG2 GLU A 88 1.730 1.090 -9.213 1.00 1.30 H new ATOM 0 HG3 GLU A 88 2.630 -0.373 -9.561 1.00 1.30 H new ATOM 1367 N PHE A 89 -0.264 2.867 -9.611 1.00 0.12 N ATOM 1368 CA PHE A 89 -0.058 4.284 -9.992 1.00 0.16 C ATOM 1369 C PHE A 89 0.709 5.003 -8.877 1.00 0.18 C ATOM 1370 O PHE A 89 0.378 4.872 -7.716 1.00 0.18 O ATOM 1371 CB PHE A 89 -1.426 4.920 -10.212 1.00 0.18 C ATOM 1372 CG PHE A 89 -1.961 5.533 -8.911 1.00 0.21 C ATOM 1373 CD1 PHE A 89 -1.497 6.758 -8.461 1.00 0.25 C ATOM 1374 CD2 PHE A 89 -2.922 4.866 -8.168 1.00 0.22 C ATOM 1375 CE1 PHE A 89 -1.986 7.303 -7.292 1.00 0.29 C ATOM 1376 CE2 PHE A 89 -3.410 5.414 -7.001 1.00 0.26 C ATOM 1377 CZ PHE A 89 -2.941 6.632 -6.564 1.00 0.29 C ATOM 0 H PHE A 89 -0.319 2.691 -8.608 1.00 0.12 H new ATOM 0 HA PHE A 89 0.527 4.360 -10.909 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -1.354 5.691 -10.979 1.00 0.18 H new ATOM 0 HB3 PHE A 89 -2.126 4.169 -10.579 1.00 0.18 H new ATOM 0 HD1 PHE A 89 -0.748 7.290 -9.029 1.00 0.25 H new ATOM 0 HD2 PHE A 89 -3.292 3.909 -8.506 1.00 0.22 H new ATOM 0 HE1 PHE A 89 -1.618 8.258 -6.948 1.00 0.29 H new ATOM 0 HE2 PHE A 89 -4.160 4.888 -6.430 1.00 0.26 H new ATOM 0 HZ PHE A 89 -3.323 7.061 -5.649 1.00 0.29 H new ATOM 1387 N SER A 90 1.722 5.744 -9.254 1.00 0.23 N ATOM 1388 CA SER A 90 2.538 6.461 -8.222 1.00 0.26 C ATOM 1389 C SER A 90 2.317 7.972 -8.291 1.00 0.26 C ATOM 1390 O SER A 90 1.739 8.480 -9.231 1.00 0.22 O ATOM 1391 CB SER A 90 4.016 6.154 -8.461 1.00 0.26 C ATOM 1392 OG SER A 90 4.306 6.788 -9.698 1.00 0.21 O ATOM 0 H SER A 90 2.018 5.883 -10.220 1.00 0.23 H new ATOM 0 HA SER A 90 2.230 6.118 -7.234 1.00 0.26 H new ATOM 0 HB2 SER A 90 4.639 6.545 -7.657 1.00 0.26 H new ATOM 0 HB3 SER A 90 4.197 5.080 -8.511 1.00 0.26 H new ATOM 0 HG SER A 90 5.247 6.640 -9.929 1.00 0.21 H new ATOM 1398 N GLY A 91 2.793 8.654 -7.279 1.00 0.31 N ATOM 1399 CA GLY A 91 2.633 10.139 -7.243 1.00 0.32 C ATOM 1400 C GLY A 91 2.240 10.597 -5.835 1.00 0.30 C ATOM 1401 O GLY A 91 1.565 9.888 -5.115 1.00 0.54 O ATOM 0 H GLY A 91 3.283 8.249 -6.481 1.00 0.31 H new ATOM 0 HA2 GLY A 91 3.565 10.619 -7.542 1.00 0.32 H new ATOM 0 HA3 GLY A 91 1.871 10.447 -7.959 1.00 0.32 H new ATOM 1405 N ALA A 92 2.671 11.776 -5.471 1.00 0.23 N ATOM 1406 CA ALA A 92 2.328 12.299 -4.112 1.00 0.38 C ATOM 1407 C ALA A 92 0.842 12.680 -4.038 1.00 0.55 C ATOM 1408 O ALA A 92 0.470 13.596 -3.331 1.00 1.05 O ATOM 1409 CB ALA A 92 3.184 13.531 -3.822 1.00 0.37 C ATOM 0 H ALA A 92 3.240 12.395 -6.048 1.00 0.23 H new ATOM 0 HA ALA A 92 2.524 11.522 -3.373 1.00 0.38 H new ATOM 0 HB1 ALA A 92 2.940 13.919 -2.833 1.00 0.37 H new ATOM 0 HB2 ALA A 92 4.239 13.257 -3.855 1.00 0.37 H new ATOM 0 HB3 ALA A 92 2.985 14.297 -4.571 1.00 0.37 H new ATOM 1415 N ASN A 93 0.024 11.966 -4.768 1.00 0.29 N ATOM 1416 CA ASN A 93 -1.438 12.269 -4.748 1.00 0.42 C ATOM 1417 C ASN A 93 -2.161 11.300 -3.806 1.00 0.54 C ATOM 1418 O ASN A 93 -1.950 10.105 -3.867 1.00 0.67 O ATOM 1419 CB ASN A 93 -1.997 12.115 -6.162 1.00 0.47 C ATOM 1420 CG ASN A 93 -2.985 13.248 -6.443 1.00 0.70 C ATOM 1421 OD1 ASN A 93 -2.885 13.941 -7.436 1.00 1.03 O ATOM 1422 ND2 ASN A 93 -3.951 13.469 -5.595 1.00 0.62 N ATOM 0 H ASN A 93 0.302 11.193 -5.372 1.00 0.29 H new ATOM 0 HA ASN A 93 -1.592 13.289 -4.395 1.00 0.42 H new ATOM 0 HB2 ASN A 93 -1.186 12.136 -6.890 1.00 0.47 H new ATOM 0 HB3 ASN A 93 -2.494 11.150 -6.266 1.00 0.47 H new ATOM 0 HD21 ASN A 93 -4.618 14.221 -5.767 1.00 0.62 H new ATOM 0 HD22 ASN A 93 -4.039 12.890 -4.760 1.00 0.62 H new ATOM 1429 N LYS A 94 -3.001 11.841 -2.955 1.00 0.62 N ATOM 1430 CA LYS A 94 -3.750 10.970 -1.992 1.00 0.82 C ATOM 1431 C LYS A 94 -5.242 10.930 -2.349 1.00 0.93 C ATOM 1432 O LYS A 94 -5.820 9.870 -2.483 1.00 0.89 O ATOM 1433 CB LYS A 94 -3.580 11.510 -0.562 1.00 1.07 C ATOM 1434 CG LYS A 94 -3.409 13.035 -0.588 1.00 0.36 C ATOM 1435 CD LYS A 94 -1.917 13.373 -0.629 1.00 1.25 C ATOM 1436 CE LYS A 94 -1.750 14.868 -0.902 1.00 1.01 C ATOM 1437 NZ LYS A 94 -2.827 15.645 -0.225 1.00 0.64 N ATOM 0 H LYS A 94 -3.200 12.839 -2.885 1.00 0.62 H new ATOM 0 HA LYS A 94 -3.346 9.959 -2.053 1.00 0.82 H new ATOM 0 HB2 LYS A 94 -4.449 11.244 0.040 1.00 1.07 H new ATOM 0 HB3 LYS A 94 -2.712 11.047 -0.092 1.00 1.07 H new ATOM 0 HG2 LYS A 94 -3.913 13.455 -1.458 1.00 0.36 H new ATOM 0 HG3 LYS A 94 -3.871 13.480 0.293 1.00 0.36 H new ATOM 0 HD2 LYS A 94 -1.445 13.109 0.317 1.00 1.25 H new ATOM 0 HD3 LYS A 94 -1.421 12.791 -1.406 1.00 1.25 H new ATOM 0 HE2 LYS A 94 -0.775 15.202 -0.548 1.00 1.01 H new ATOM 0 HE3 LYS A 94 -1.780 15.053 -1.976 1.00 1.01 H new ATOM 0 HZ1 LYS A 94 -2.559 16.649 -0.187 1.00 0.64 H new ATOM 0 HZ2 LYS A 94 -3.715 15.544 -0.757 1.00 0.64 H new ATOM 0 HZ3 LYS A 94 -2.960 15.285 0.742 1.00 0.64 H new ATOM 1451 N GLU A 95 -5.834 12.085 -2.494 1.00 1.14 N ATOM 1452 CA GLU A 95 -7.282 12.127 -2.837 1.00 1.32 C ATOM 1453 C GLU A 95 -7.557 11.276 -4.081 1.00 1.07 C ATOM 1454 O GLU A 95 -8.684 10.911 -4.351 1.00 1.17 O ATOM 1455 CB GLU A 95 -7.692 13.574 -3.109 1.00 1.63 C ATOM 1456 CG GLU A 95 -8.680 14.026 -2.031 1.00 2.36 C ATOM 1457 CD GLU A 95 -9.113 15.465 -2.312 1.00 2.24 C ATOM 1458 OE1 GLU A 95 -8.415 16.344 -1.833 1.00 2.84 O ATOM 1459 OE2 GLU A 95 -10.119 15.606 -2.988 1.00 2.11 O ATOM 0 H GLU A 95 -5.381 12.993 -2.391 1.00 1.14 H new ATOM 0 HA GLU A 95 -7.859 11.728 -2.003 1.00 1.32 H new ATOM 0 HB2 GLU A 95 -6.814 14.220 -3.109 1.00 1.63 H new ATOM 0 HB3 GLU A 95 -8.148 13.656 -4.095 1.00 1.63 H new ATOM 0 HG2 GLU A 95 -9.549 13.368 -2.020 1.00 2.36 H new ATOM 0 HG3 GLU A 95 -8.217 13.959 -1.046 1.00 2.36 H new ATOM 1466 N LYS A 96 -6.517 10.980 -4.810 1.00 0.77 N ATOM 1467 CA LYS A 96 -6.696 10.156 -6.041 1.00 0.60 C ATOM 1468 C LYS A 96 -7.103 8.726 -5.666 1.00 0.35 C ATOM 1469 O LYS A 96 -7.959 8.136 -6.296 1.00 0.36 O ATOM 1470 CB LYS A 96 -5.378 10.127 -6.813 1.00 0.60 C ATOM 1471 CG LYS A 96 -5.541 9.250 -8.057 1.00 0.59 C ATOM 1472 CD LYS A 96 -4.390 9.534 -9.026 1.00 0.95 C ATOM 1473 CE LYS A 96 -4.771 10.703 -9.938 1.00 0.88 C ATOM 1474 NZ LYS A 96 -3.555 11.458 -10.352 1.00 1.62 N ATOM 0 H LYS A 96 -5.559 11.269 -4.611 1.00 0.77 H new ATOM 0 HA LYS A 96 -7.481 10.593 -6.658 1.00 0.60 H new ATOM 0 HB2 LYS A 96 -5.090 11.138 -7.102 1.00 0.60 H new ATOM 0 HB3 LYS A 96 -4.581 9.737 -6.180 1.00 0.60 H new ATOM 0 HG2 LYS A 96 -5.545 8.197 -7.776 1.00 0.59 H new ATOM 0 HG3 LYS A 96 -6.497 9.455 -8.539 1.00 0.59 H new ATOM 0 HD2 LYS A 96 -3.483 9.772 -8.471 1.00 0.95 H new ATOM 0 HD3 LYS A 96 -4.175 8.648 -9.623 1.00 0.95 H new ATOM 0 HE2 LYS A 96 -5.292 10.330 -10.819 1.00 0.88 H new ATOM 0 HE3 LYS A 96 -5.460 11.368 -9.418 1.00 0.88 H new ATOM 0 HZ1 LYS A 96 -3.830 12.248 -10.970 1.00 1.62 H new ATOM 0 HZ2 LYS A 96 -3.074 11.830 -9.509 1.00 1.62 H new ATOM 0 HZ3 LYS A 96 -2.911 10.824 -10.867 1.00 1.62 H new ATOM 1488 N LEU A 97 -6.479 8.202 -4.648 1.00 0.32 N ATOM 1489 CA LEU A 97 -6.815 6.811 -4.217 1.00 0.37 C ATOM 1490 C LEU A 97 -8.331 6.627 -4.128 1.00 0.35 C ATOM 1491 O LEU A 97 -8.881 5.757 -4.760 1.00 0.49 O ATOM 1492 CB LEU A 97 -6.204 6.545 -2.844 1.00 0.61 C ATOM 1493 CG LEU A 97 -4.687 6.706 -2.918 1.00 0.43 C ATOM 1494 CD1 LEU A 97 -4.171 7.115 -1.543 1.00 0.54 C ATOM 1495 CD2 LEU A 97 -4.051 5.370 -3.316 1.00 0.34 C ATOM 0 H LEU A 97 -5.757 8.669 -4.099 1.00 0.32 H new ATOM 0 HA LEU A 97 -6.414 6.113 -4.952 1.00 0.37 H new ATOM 0 HB2 LEU A 97 -6.618 7.237 -2.110 1.00 0.61 H new ATOM 0 HB3 LEU A 97 -6.457 5.538 -2.511 1.00 0.61 H new ATOM 0 HG LEU A 97 -4.430 7.465 -3.657 1.00 0.43 H new ATOM 0 HD11 LEU A 97 -3.088 7.234 -1.581 1.00 0.54 H new ATOM 0 HD12 LEU A 97 -4.629 8.059 -1.248 1.00 0.54 H new ATOM 0 HD13 LEU A 97 -4.426 6.345 -0.815 1.00 0.54 H new ATOM 0 HD21 LEU A 97 -2.968 5.484 -3.369 1.00 0.34 H new ATOM 0 HD22 LEU A 97 -4.300 4.613 -2.573 1.00 0.34 H new ATOM 0 HD23 LEU A 97 -4.432 5.062 -4.290 1.00 0.34 H new ATOM 1507 N GLU A 98 -8.967 7.462 -3.338 1.00 0.37 N ATOM 1508 CA GLU A 98 -10.458 7.359 -3.166 1.00 0.34 C ATOM 1509 C GLU A 98 -11.138 6.931 -4.464 1.00 0.33 C ATOM 1510 O GLU A 98 -11.667 5.840 -4.562 1.00 0.42 O ATOM 1511 CB GLU A 98 -11.002 8.720 -2.733 1.00 0.32 C ATOM 1512 CG GLU A 98 -12.501 8.594 -2.450 1.00 0.34 C ATOM 1513 CD GLU A 98 -12.996 9.870 -1.766 1.00 0.68 C ATOM 1514 OE1 GLU A 98 -13.181 10.835 -2.489 1.00 1.26 O ATOM 1515 OE2 GLU A 98 -13.162 9.808 -0.559 1.00 1.49 O ATOM 0 H GLU A 98 -8.522 8.209 -2.805 1.00 0.37 H new ATOM 0 HA GLU A 98 -10.669 6.604 -2.408 1.00 0.34 H new ATOM 0 HB2 GLU A 98 -10.479 9.068 -1.842 1.00 0.32 H new ATOM 0 HB3 GLU A 98 -10.828 9.460 -3.514 1.00 0.32 H new ATOM 0 HG2 GLU A 98 -13.046 8.431 -3.380 1.00 0.34 H new ATOM 0 HG3 GLU A 98 -12.691 7.730 -1.814 1.00 0.34 H new ATOM 1522 N ALA A 99 -11.111 7.791 -5.424 1.00 0.27 N ATOM 1523 CA ALA A 99 -11.753 7.451 -6.728 1.00 0.29 C ATOM 1524 C ALA A 99 -11.141 6.165 -7.295 1.00 0.28 C ATOM 1525 O ALA A 99 -11.806 5.405 -7.969 1.00 0.35 O ATOM 1526 CB ALA A 99 -11.534 8.601 -7.710 1.00 0.36 C ATOM 0 H ALA A 99 -10.678 8.713 -5.375 1.00 0.27 H new ATOM 0 HA ALA A 99 -12.821 7.296 -6.575 1.00 0.29 H new ATOM 0 HB1 ALA A 99 -12.001 8.358 -8.665 1.00 0.36 H new ATOM 0 HB2 ALA A 99 -11.980 9.511 -7.309 1.00 0.36 H new ATOM 0 HB3 ALA A 99 -10.465 8.755 -7.858 1.00 0.36 H new ATOM 1532 N THR A 100 -9.884 5.950 -7.008 1.00 0.34 N ATOM 1533 CA THR A 100 -9.222 4.714 -7.518 1.00 0.31 C ATOM 1534 C THR A 100 -9.849 3.481 -6.860 1.00 0.31 C ATOM 1535 O THR A 100 -10.037 2.464 -7.495 1.00 0.21 O ATOM 1536 CB THR A 100 -7.728 4.771 -7.197 1.00 0.32 C ATOM 1537 OG1 THR A 100 -7.358 6.124 -7.438 1.00 0.51 O ATOM 1538 CG2 THR A 100 -6.909 3.945 -8.185 1.00 0.32 C ATOM 0 H THR A 100 -9.294 6.567 -6.450 1.00 0.34 H new ATOM 0 HA THR A 100 -9.358 4.647 -8.597 1.00 0.31 H new ATOM 0 HB THR A 100 -7.550 4.404 -6.186 1.00 0.32 H new ATOM 0 HG1 THR A 100 -7.679 6.687 -6.703 1.00 0.51 H new ATOM 0 HG21 THR A 100 -5.852 4.010 -7.925 1.00 0.32 H new ATOM 0 HG22 THR A 100 -7.230 2.904 -8.143 1.00 0.32 H new ATOM 0 HG23 THR A 100 -7.059 4.331 -9.193 1.00 0.32 H new ATOM 1546 N ILE A 101 -10.153 3.594 -5.595 1.00 0.44 N ATOM 1547 CA ILE A 101 -10.792 2.444 -4.903 1.00 0.47 C ATOM 1548 C ILE A 101 -12.109 2.150 -5.595 1.00 0.44 C ATOM 1549 O ILE A 101 -12.482 1.011 -5.787 1.00 0.45 O ATOM 1550 CB ILE A 101 -11.056 2.809 -3.428 1.00 0.62 C ATOM 1551 CG1 ILE A 101 -9.745 3.253 -2.733 1.00 0.89 C ATOM 1552 CG2 ILE A 101 -11.658 1.597 -2.702 1.00 0.48 C ATOM 1553 CD1 ILE A 101 -8.605 2.274 -3.046 1.00 1.49 C ATOM 0 H ILE A 101 -9.989 4.420 -5.020 1.00 0.44 H new ATOM 0 HA ILE A 101 -10.140 1.571 -4.940 1.00 0.47 H new ATOM 0 HB ILE A 101 -11.760 3.640 -3.389 1.00 0.62 H new ATOM 0 HG12 ILE A 101 -9.472 4.254 -3.066 1.00 0.89 H new ATOM 0 HG13 ILE A 101 -9.899 3.306 -1.655 1.00 0.89 H new ATOM 0 HG21 ILE A 101 -11.845 1.854 -1.659 1.00 0.48 H new ATOM 0 HG22 ILE A 101 -12.596 1.315 -3.180 1.00 0.48 H new ATOM 0 HG23 ILE A 101 -10.961 0.761 -2.750 1.00 0.48 H new ATOM 0 HD11 ILE A 101 -7.694 2.605 -2.548 1.00 1.49 H new ATOM 0 HD12 ILE A 101 -8.872 1.279 -2.690 1.00 1.49 H new ATOM 0 HD13 ILE A 101 -8.439 2.242 -4.123 1.00 1.49 H new ATOM 1565 N ASN A 102 -12.775 3.195 -5.964 1.00 0.44 N ATOM 1566 CA ASN A 102 -14.075 3.034 -6.660 1.00 0.47 C ATOM 1567 C ASN A 102 -13.856 2.285 -7.972 1.00 0.39 C ATOM 1568 O ASN A 102 -14.791 1.805 -8.582 1.00 0.42 O ATOM 1569 CB ASN A 102 -14.646 4.419 -6.950 1.00 0.48 C ATOM 1570 CG ASN A 102 -16.147 4.421 -6.680 1.00 0.49 C ATOM 1571 OD1 ASN A 102 -16.861 3.510 -7.054 1.00 0.53 O ATOM 1572 ND2 ASN A 102 -16.665 5.427 -6.033 1.00 1.06 N ATOM 0 H ASN A 102 -12.477 4.159 -5.815 1.00 0.44 H new ATOM 0 HA ASN A 102 -14.768 2.470 -6.037 1.00 0.47 H new ATOM 0 HB2 ASN A 102 -14.153 5.164 -6.326 1.00 0.48 H new ATOM 0 HB3 ASN A 102 -14.453 4.693 -7.987 1.00 0.48 H new ATOM 0 HD21 ASN A 102 -17.667 5.449 -5.842 1.00 1.06 H new ATOM 0 HD22 ASN A 102 -16.069 6.192 -5.718 1.00 1.06 H new ATOM 1579 N GLU A 103 -12.618 2.202 -8.378 1.00 0.32 N ATOM 1580 CA GLU A 103 -12.315 1.492 -9.649 1.00 0.26 C ATOM 1581 C GLU A 103 -12.383 -0.026 -9.445 1.00 0.24 C ATOM 1582 O GLU A 103 -13.022 -0.722 -10.210 1.00 0.24 O ATOM 1583 CB GLU A 103 -10.914 1.882 -10.119 1.00 0.20 C ATOM 1584 CG GLU A 103 -10.897 1.943 -11.647 1.00 0.19 C ATOM 1585 CD GLU A 103 -11.376 0.605 -12.213 1.00 2.16 C ATOM 1586 OE1 GLU A 103 -12.583 0.465 -12.319 1.00 3.14 O ATOM 1587 OE2 GLU A 103 -10.509 -0.199 -12.507 1.00 3.06 O ATOM 0 H GLU A 103 -11.812 2.591 -7.889 1.00 0.32 H new ATOM 0 HA GLU A 103 -13.053 1.776 -10.400 1.00 0.26 H new ATOM 0 HB2 GLU A 103 -10.633 2.849 -9.701 1.00 0.20 H new ATOM 0 HB3 GLU A 103 -10.183 1.156 -9.764 1.00 0.20 H new ATOM 0 HG2 GLU A 103 -11.541 2.750 -11.997 1.00 0.19 H new ATOM 0 HG3 GLU A 103 -9.890 2.161 -12.002 1.00 0.19 H new ATOM 1594 N LEU A 104 -11.727 -0.510 -8.413 1.00 0.23 N ATOM 1595 CA LEU A 104 -11.738 -1.991 -8.163 1.00 0.21 C ATOM 1596 C LEU A 104 -12.677 -2.353 -6.998 1.00 0.20 C ATOM 1597 O LEU A 104 -12.779 -3.505 -6.626 1.00 0.13 O ATOM 1598 CB LEU A 104 -10.320 -2.461 -7.823 1.00 0.21 C ATOM 1599 CG LEU A 104 -9.318 -1.868 -8.820 1.00 0.26 C ATOM 1600 CD1 LEU A 104 -7.945 -2.496 -8.575 1.00 0.25 C ATOM 1601 CD2 LEU A 104 -9.768 -2.189 -10.248 1.00 0.30 C ATOM 0 H LEU A 104 -11.193 0.045 -7.744 1.00 0.23 H new ATOM 0 HA LEU A 104 -12.097 -2.485 -9.066 1.00 0.21 H new ATOM 0 HB2 LEU A 104 -10.060 -2.156 -6.809 1.00 0.21 H new ATOM 0 HB3 LEU A 104 -10.272 -3.550 -7.851 1.00 0.21 H new ATOM 0 HG LEU A 104 -9.264 -0.787 -8.689 1.00 0.26 H new ATOM 0 HD11 LEU A 104 -7.224 -2.081 -9.279 1.00 0.25 H new ATOM 0 HD12 LEU A 104 -7.623 -2.280 -7.556 1.00 0.25 H new ATOM 0 HD13 LEU A 104 -8.008 -3.575 -8.714 1.00 0.25 H new ATOM 0 HD21 LEU A 104 -9.056 -1.767 -10.957 1.00 0.30 H new ATOM 0 HD22 LEU A 104 -9.815 -3.270 -10.380 1.00 0.30 H new ATOM 0 HD23 LEU A 104 -10.754 -1.758 -10.424 1.00 0.30 H new ATOM 1613 N VAL A 105 -13.344 -1.371 -6.445 1.00 0.27 N ATOM 1614 CA VAL A 105 -14.268 -1.676 -5.306 1.00 0.26 C ATOM 1615 C VAL A 105 -15.130 -2.900 -5.637 1.00 0.21 C ATOM 1616 O VAL A 105 -15.472 -3.022 -6.801 1.00 0.97 O ATOM 1617 CB VAL A 105 -15.176 -0.474 -5.051 1.00 0.47 C ATOM 1618 CG1 VAL A 105 -16.141 -0.312 -6.228 1.00 0.56 C ATOM 1619 CG2 VAL A 105 -15.978 -0.716 -3.771 1.00 0.56 C ATOM 1620 OXT VAL A 105 -15.401 -3.638 -4.704 1.00 1.07 O ATOM 0 H VAL A 105 -13.293 -0.391 -6.724 1.00 0.27 H new ATOM 0 HA VAL A 105 -13.675 -1.887 -4.416 1.00 0.26 H new ATOM 0 HB VAL A 105 -14.574 0.428 -4.944 1.00 0.47 H new ATOM 0 HG11 VAL A 105 -16.791 0.545 -6.050 1.00 0.56 H new ATOM 0 HG12 VAL A 105 -15.573 -0.153 -7.145 1.00 0.56 H new ATOM 0 HG13 VAL A 105 -16.747 -1.212 -6.328 1.00 0.56 H new ATOM 0 HG21 VAL A 105 -16.629 0.138 -3.582 1.00 0.56 H new ATOM 0 HG22 VAL A 105 -16.583 -1.615 -3.885 1.00 0.56 H new ATOM 0 HG23 VAL A 105 -15.294 -0.843 -2.932 1.00 0.56 H new