USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 944 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 83 HIS : no HD1:sc= 0 X(o=-0.35,f=-0.44) USER MOD Set 1.2: A 85 MET CE :methyl -151:sc= -0.348 (180deg=-0.413) USER MOD Set 2.1: A 48 THR OG1 : rot 64:sc= 0.259 USER MOD Set 2.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 41:sc= 1.35 USER MOD Single : A 15 ASN : amide:sc= -0.0519 X(o=-0.052,f=-0.48) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 66:sc= 0.391 USER MOD Single : A 24 ASN : amide:sc= -0.0728 K(o=-0.073,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 72:sc= -0.402 USER MOD Single : A 46 HIS : no HD1:sc= -1.03 K(o=-1,f=-3.8!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 151:sc= 1.17 (180deg=-1.14!) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= 0.527 (180deg=-0.847!) USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 1.1 (180deg=0.333) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 1.3 (180deg=1.17) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.671 (180deg=-0.23) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.823) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= 1.41 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.485 -4.022 -2.973 1.00 1.94 N ATOM 56 CA GLU A 5 11.640 -3.818 -1.529 1.00 1.04 C ATOM 57 C GLU A 5 10.248 -3.636 -0.899 1.00 0.91 C ATOM 58 O GLU A 5 9.644 -2.566 -1.048 1.00 1.41 O ATOM 59 CB GLU A 5 12.550 -2.605 -1.204 1.00 2.48 C ATOM 60 CG GLU A 5 13.774 -2.356 -2.101 1.00 3.74 C ATOM 61 CD GLU A 5 14.911 -3.323 -1.810 1.00 4.41 C ATOM 62 OE1 GLU A 5 14.794 -4.538 -2.085 1.00 4.49 O ATOM 63 OE2 GLU A 5 15.971 -2.895 -1.309 1.00 5.56 O ATOM 0 HA GLU A 5 12.129 -4.696 -1.107 1.00 1.04 H new ATOM 0 HB2 GLU A 5 11.931 -1.708 -1.228 1.00 2.48 H new ATOM 0 HB3 GLU A 5 12.905 -2.720 -0.180 1.00 2.48 H new ATOM 0 HG2 GLU A 5 13.480 -2.449 -3.146 1.00 3.74 H new ATOM 0 HG3 GLU A 5 14.124 -1.334 -1.958 1.00 3.74 H new ATOM 70 N GLY A 6 9.718 -4.655 -0.210 1.00 1.06 N ATOM 71 CA GLY A 6 8.508 -4.494 0.607 1.00 1.08 C ATOM 72 C GLY A 6 8.139 -5.690 1.483 1.00 0.98 C ATOM 73 O GLY A 6 8.724 -6.766 1.363 1.00 1.07 O ATOM 0 H GLY A 6 10.107 -5.598 -0.202 1.00 1.06 H new ATOM 0 HA2 GLY A 6 8.638 -3.623 1.249 1.00 1.08 H new ATOM 0 HA3 GLY A 6 7.670 -4.279 -0.056 1.00 1.08 H new ATOM 77 N TRP A 7 7.145 -5.477 2.348 1.00 0.90 N ATOM 78 CA TRP A 7 6.632 -6.423 3.339 1.00 0.83 C ATOM 79 C TRP A 7 5.156 -6.141 3.675 1.00 0.75 C ATOM 80 O TRP A 7 4.700 -4.997 3.636 1.00 0.81 O ATOM 81 CB TRP A 7 7.494 -6.394 4.617 1.00 0.90 C ATOM 82 CG TRP A 7 7.374 -5.204 5.528 1.00 0.94 C ATOM 83 CD1 TRP A 7 6.857 -5.260 6.777 1.00 1.06 C ATOM 84 CD2 TRP A 7 7.791 -3.809 5.348 1.00 0.99 C ATOM 85 NE1 TRP A 7 6.921 -4.020 7.371 1.00 1.12 N ATOM 86 CE2 TRP A 7 7.446 -3.078 6.526 1.00 1.10 C ATOM 87 CE3 TRP A 7 8.443 -3.073 4.331 1.00 1.06 C ATOM 88 CZ2 TRP A 7 7.686 -1.705 6.674 1.00 1.27 C ATOM 89 CZ3 TRP A 7 8.693 -1.692 4.465 1.00 1.26 C ATOM 90 CH2 TRP A 7 8.306 -1.001 5.630 1.00 1.36 C ATOM 0 H TRP A 7 6.648 -4.587 2.376 1.00 0.90 H new ATOM 0 HA TRP A 7 6.689 -7.421 2.904 1.00 0.83 H new ATOM 0 HB2 TRP A 7 7.256 -7.284 5.199 1.00 0.90 H new ATOM 0 HB3 TRP A 7 8.538 -6.479 4.316 1.00 0.90 H new ATOM 0 HD1 TRP A 7 6.453 -6.148 7.240 1.00 1.06 H new ATOM 0 HE1 TRP A 7 6.615 -3.826 8.324 1.00 1.12 H new ATOM 0 HE3 TRP A 7 8.757 -3.581 3.431 1.00 1.06 H new ATOM 0 HZ2 TRP A 7 7.397 -1.195 7.581 1.00 1.27 H new ATOM 0 HZ3 TRP A 7 9.186 -1.158 3.666 1.00 1.26 H new ATOM 0 HH2 TRP A 7 8.485 0.060 5.719 1.00 1.36 H new ATOM 101 N VAL A 8 4.406 -7.176 4.040 1.00 0.72 N ATOM 102 CA VAL A 8 3.012 -7.051 4.497 1.00 0.71 C ATOM 103 C VAL A 8 2.936 -7.467 5.963 1.00 0.72 C ATOM 104 O VAL A 8 3.546 -8.453 6.368 1.00 0.83 O ATOM 105 CB VAL A 8 2.041 -7.856 3.611 1.00 0.83 C ATOM 106 CG1 VAL A 8 0.584 -7.620 4.049 1.00 1.06 C ATOM 107 CG2 VAL A 8 2.199 -7.446 2.134 1.00 1.01 C ATOM 0 H VAL A 8 4.745 -8.138 4.029 1.00 0.72 H new ATOM 0 HA VAL A 8 2.696 -6.011 4.408 1.00 0.71 H new ATOM 0 HB VAL A 8 2.281 -8.913 3.722 1.00 0.83 H new ATOM 0 HG11 VAL A 8 -0.086 -8.197 3.411 1.00 1.06 H new ATOM 0 HG12 VAL A 8 0.460 -7.935 5.085 1.00 1.06 H new ATOM 0 HG13 VAL A 8 0.345 -6.560 3.961 1.00 1.06 H new ATOM 0 HG21 VAL A 8 1.507 -8.023 1.520 1.00 1.01 H new ATOM 0 HG22 VAL A 8 1.981 -6.384 2.026 1.00 1.01 H new ATOM 0 HG23 VAL A 8 3.221 -7.641 1.810 1.00 1.01 H new ATOM 117 N ARG A 9 2.228 -6.679 6.770 1.00 0.73 N ATOM 118 CA ARG A 9 2.275 -6.777 8.222 1.00 0.83 C ATOM 119 C ARG A 9 1.533 -8.003 8.766 1.00 1.00 C ATOM 120 O ARG A 9 0.326 -8.155 8.575 1.00 1.67 O ATOM 121 CB ARG A 9 1.756 -5.467 8.827 1.00 0.92 C ATOM 122 CG ARG A 9 1.918 -5.452 10.350 1.00 1.40 C ATOM 123 CD ARG A 9 1.637 -4.071 10.945 1.00 1.74 C ATOM 124 NE ARG A 9 1.255 -4.212 12.357 1.00 2.38 N ATOM 125 CZ ARG A 9 1.943 -3.856 13.431 1.00 3.04 C ATOM 126 NH1 ARG A 9 3.113 -3.261 13.382 1.00 3.94 N ATOM 127 NH2 ARG A 9 1.430 -4.126 14.609 1.00 3.94 N ATOM 0 H ARG A 9 1.602 -5.950 6.429 1.00 0.73 H new ATOM 0 HA ARG A 9 3.312 -6.925 8.523 1.00 0.83 H new ATOM 0 HB2 ARG A 9 2.296 -4.625 8.394 1.00 0.92 H new ATOM 0 HB3 ARG A 9 0.705 -5.337 8.570 1.00 0.92 H new ATOM 0 HG2 ARG A 9 1.241 -6.182 10.793 1.00 1.40 H new ATOM 0 HG3 ARG A 9 2.931 -5.759 10.609 1.00 1.40 H new ATOM 0 HD2 ARG A 9 2.521 -3.440 10.858 1.00 1.74 H new ATOM 0 HD3 ARG A 9 0.839 -3.580 10.389 1.00 1.74 H new ATOM 0 HE ARG A 9 0.345 -4.638 12.532 1.00 2.38 H new ATOM 0 HH11 ARG A 9 3.540 -3.049 12.480 1.00 3.94 H new ATOM 0 HH12 ARG A 9 3.595 -3.011 14.246 1.00 3.94 H new ATOM 0 HH21 ARG A 9 0.527 -4.596 14.677 1.00 3.94 H new ATOM 0 HH22 ARG A 9 1.934 -3.865 15.457 1.00 3.94 H new ATOM 141 N PHE A 10 2.214 -8.810 9.584 1.00 0.97 N ATOM 142 CA PHE A 10 1.547 -9.701 10.534 1.00 1.02 C ATOM 143 C PHE A 10 0.989 -8.912 11.732 1.00 1.07 C ATOM 144 O PHE A 10 1.698 -8.176 12.419 1.00 1.50 O ATOM 145 CB PHE A 10 2.485 -10.829 10.994 1.00 1.35 C ATOM 146 CG PHE A 10 1.975 -11.627 12.189 1.00 1.53 C ATOM 147 CD1 PHE A 10 0.639 -12.076 12.240 1.00 2.83 C ATOM 148 CD2 PHE A 10 2.824 -11.884 13.284 1.00 2.04 C ATOM 149 CE1 PHE A 10 0.155 -12.757 13.367 1.00 3.04 C ATOM 150 CE2 PHE A 10 2.344 -12.577 14.408 1.00 2.12 C ATOM 151 CZ PHE A 10 1.008 -13.011 14.455 1.00 1.98 C ATOM 0 H PHE A 10 3.232 -8.864 9.606 1.00 0.97 H new ATOM 0 HA PHE A 10 0.705 -10.165 10.021 1.00 1.02 H new ATOM 0 HB2 PHE A 10 2.648 -11.512 10.160 1.00 1.35 H new ATOM 0 HB3 PHE A 10 3.454 -10.398 11.247 1.00 1.35 H new ATOM 0 HD1 PHE A 10 -0.018 -11.894 11.403 1.00 2.83 H new ATOM 0 HD2 PHE A 10 3.850 -11.546 13.259 1.00 2.04 H new ATOM 0 HE1 PHE A 10 -0.873 -13.086 13.399 1.00 3.04 H new ATOM 0 HE2 PHE A 10 3.004 -12.777 15.239 1.00 2.12 H new ATOM 0 HZ PHE A 10 0.639 -13.537 15.323 1.00 1.98 H new ATOM 161 N SER A 11 -0.288 -9.117 12.043 1.00 0.96 N ATOM 162 CA SER A 11 -0.921 -8.732 13.298 1.00 1.17 C ATOM 163 C SER A 11 -2.203 -9.551 13.519 1.00 1.23 C ATOM 164 O SER A 11 -2.940 -9.753 12.552 1.00 1.39 O ATOM 165 CB SER A 11 -1.252 -7.241 13.250 1.00 1.53 C ATOM 166 OG SER A 11 -0.093 -6.497 13.583 1.00 2.39 O ATOM 0 H SER A 11 -0.935 -9.574 11.401 1.00 0.96 H new ATOM 0 HA SER A 11 -0.240 -8.930 14.126 1.00 1.17 H new ATOM 0 HB2 SER A 11 -1.602 -6.966 12.255 1.00 1.53 H new ATOM 0 HB3 SER A 11 -2.058 -7.012 13.947 1.00 1.53 H new ATOM 0 HG SER A 11 0.690 -6.904 13.158 1.00 2.39 H new ATOM 172 N PRO A 12 -2.478 -10.035 14.750 1.00 1.36 N ATOM 173 CA PRO A 12 -3.708 -10.745 15.097 1.00 1.60 C ATOM 174 C PRO A 12 -4.819 -9.730 15.416 1.00 1.77 C ATOM 175 O PRO A 12 -5.168 -9.499 16.574 1.00 2.64 O ATOM 176 CB PRO A 12 -3.321 -11.629 16.288 1.00 1.80 C ATOM 177 CG PRO A 12 -2.309 -10.754 17.026 1.00 1.78 C ATOM 178 CD PRO A 12 -1.568 -10.050 15.890 1.00 1.50 C ATOM 0 HA PRO A 12 -4.109 -11.359 14.291 1.00 1.60 H new ATOM 0 HB2 PRO A 12 -4.181 -11.871 16.912 1.00 1.80 H new ATOM 0 HB3 PRO A 12 -2.884 -12.575 15.968 1.00 1.80 H new ATOM 0 HG2 PRO A 12 -2.800 -10.042 17.690 1.00 1.78 H new ATOM 0 HG3 PRO A 12 -1.633 -11.349 17.640 1.00 1.78 H new ATOM 0 HD2 PRO A 12 -1.290 -9.036 16.178 1.00 1.50 H new ATOM 0 HD3 PRO A 12 -0.646 -10.576 15.644 1.00 1.50 H new ATOM 186 N GLY A 13 -5.338 -9.079 14.372 1.00 1.30 N ATOM 187 CA GLY A 13 -6.362 -8.038 14.479 1.00 1.43 C ATOM 188 C GLY A 13 -7.360 -8.020 13.314 1.00 1.32 C ATOM 189 O GLY A 13 -7.209 -8.786 12.366 1.00 1.36 O ATOM 0 H GLY A 13 -5.052 -9.265 13.411 1.00 1.30 H new ATOM 0 HA2 GLY A 13 -6.910 -8.177 15.411 1.00 1.43 H new ATOM 0 HA3 GLY A 13 -5.872 -7.066 14.539 1.00 1.43 H new ATOM 193 N PRO A 14 -8.374 -7.130 13.370 1.00 1.49 N ATOM 194 CA PRO A 14 -9.350 -6.923 12.297 1.00 1.64 C ATOM 195 C PRO A 14 -8.783 -6.111 11.119 1.00 1.40 C ATOM 196 O PRO A 14 -9.476 -5.925 10.116 1.00 1.68 O ATOM 197 CB PRO A 14 -10.510 -6.185 12.974 1.00 2.05 C ATOM 198 CG PRO A 14 -9.797 -5.329 14.020 1.00 2.07 C ATOM 199 CD PRO A 14 -8.663 -6.242 14.488 1.00 1.80 C ATOM 0 HA PRO A 14 -9.653 -7.870 11.851 1.00 1.64 H new ATOM 0 HB2 PRO A 14 -11.071 -5.575 12.266 1.00 2.05 H new ATOM 0 HB3 PRO A 14 -11.218 -6.876 13.431 1.00 2.05 H new ATOM 0 HG2 PRO A 14 -9.419 -4.400 13.593 1.00 2.07 H new ATOM 0 HG3 PRO A 14 -10.461 -5.056 14.840 1.00 2.07 H new ATOM 0 HD2 PRO A 14 -7.782 -5.661 14.762 1.00 1.80 H new ATOM 0 HD3 PRO A 14 -8.958 -6.809 15.371 1.00 1.80 H new ATOM 207 N ASN A 15 -7.543 -5.615 11.234 1.00 1.09 N ATOM 208 CA ASN A 15 -6.794 -5.007 10.145 1.00 0.91 C ATOM 209 C ASN A 15 -5.300 -5.387 10.167 1.00 0.83 C ATOM 210 O ASN A 15 -4.762 -5.822 11.189 1.00 0.94 O ATOM 211 CB ASN A 15 -6.979 -3.480 10.163 1.00 1.38 C ATOM 212 CG ASN A 15 -6.164 -2.758 11.233 1.00 2.27 C ATOM 213 OD1 ASN A 15 -4.961 -2.581 11.123 1.00 3.61 O ATOM 214 ND2 ASN A 15 -6.789 -2.317 12.307 1.00 2.43 N ATOM 0 H ASN A 15 -7.027 -5.630 12.114 1.00 1.09 H new ATOM 0 HA ASN A 15 -7.196 -5.402 9.212 1.00 0.91 H new ATOM 0 HB2 ASN A 15 -6.706 -3.082 9.186 1.00 1.38 H new ATOM 0 HB3 ASN A 15 -8.035 -3.256 10.315 1.00 1.38 H new ATOM 0 HD21 ASN A 15 -6.268 -1.832 13.038 1.00 2.43 H new ATOM 0 HD22 ASN A 15 -7.794 -2.460 12.407 1.00 2.43 H new ATOM 221 N ALA A 16 -4.632 -5.142 9.038 1.00 0.86 N ATOM 222 CA ALA A 16 -3.180 -5.144 8.876 1.00 1.05 C ATOM 223 C ALA A 16 -2.767 -4.162 7.764 1.00 0.95 C ATOM 224 O ALA A 16 -3.605 -3.722 6.977 1.00 0.96 O ATOM 225 CB ALA A 16 -2.706 -6.577 8.602 1.00 1.30 C ATOM 0 H ALA A 16 -5.117 -4.926 8.167 1.00 0.86 H new ATOM 0 HA ALA A 16 -2.697 -4.802 9.791 1.00 1.05 H new ATOM 0 HB1 ALA A 16 -1.623 -6.585 8.480 1.00 1.30 H new ATOM 0 HB2 ALA A 16 -2.982 -7.218 9.440 1.00 1.30 H new ATOM 0 HB3 ALA A 16 -3.176 -6.948 7.691 1.00 1.30 H new ATOM 231 N ALA A 17 -1.479 -3.815 7.687 1.00 1.14 N ATOM 232 CA ALA A 17 -0.949 -2.881 6.694 1.00 1.04 C ATOM 233 C ALA A 17 -0.116 -3.602 5.622 1.00 0.97 C ATOM 234 O ALA A 17 0.476 -4.640 5.914 1.00 1.15 O ATOM 235 CB ALA A 17 -0.107 -1.843 7.443 1.00 1.21 C ATOM 0 H ALA A 17 -0.768 -4.180 8.321 1.00 1.14 H new ATOM 0 HA ALA A 17 -1.770 -2.397 6.165 1.00 1.04 H new ATOM 0 HB1 ALA A 17 0.306 -1.128 6.732 1.00 1.21 H new ATOM 0 HB2 ALA A 17 -0.734 -1.318 8.164 1.00 1.21 H new ATOM 0 HB3 ALA A 17 0.707 -2.344 7.967 1.00 1.21 H new ATOM 241 N ALA A 18 0.003 -3.033 4.417 1.00 0.89 N ATOM 242 CA ALA A 18 1.017 -3.425 3.426 1.00 0.90 C ATOM 243 C ALA A 18 1.942 -2.250 3.055 1.00 0.91 C ATOM 244 O ALA A 18 1.460 -1.134 2.830 1.00 0.99 O ATOM 245 CB ALA A 18 0.317 -3.999 2.189 1.00 1.06 C ATOM 0 H ALA A 18 -0.607 -2.280 4.097 1.00 0.89 H new ATOM 0 HA ALA A 18 1.656 -4.192 3.864 1.00 0.90 H new ATOM 0 HB1 ALA A 18 1.064 -4.291 1.451 1.00 1.06 H new ATOM 0 HB2 ALA A 18 -0.271 -4.871 2.475 1.00 1.06 H new ATOM 0 HB3 ALA A 18 -0.341 -3.243 1.760 1.00 1.06 H new ATOM 251 N TYR A 19 3.251 -2.508 2.961 1.00 0.94 N ATOM 252 CA TYR A 19 4.305 -1.507 2.760 1.00 1.11 C ATOM 253 C TYR A 19 5.283 -1.952 1.656 1.00 1.34 C ATOM 254 O TYR A 19 5.787 -3.075 1.700 1.00 1.69 O ATOM 255 CB TYR A 19 5.097 -1.348 4.066 1.00 1.11 C ATOM 256 CG TYR A 19 4.322 -1.331 5.370 1.00 0.94 C ATOM 257 CD1 TYR A 19 3.659 -0.169 5.807 1.00 1.71 C ATOM 258 CD2 TYR A 19 4.354 -2.465 6.200 1.00 2.06 C ATOM 259 CE1 TYR A 19 3.069 -0.136 7.087 1.00 1.76 C ATOM 260 CE2 TYR A 19 3.845 -2.415 7.507 1.00 2.03 C ATOM 261 CZ TYR A 19 3.193 -1.246 7.959 1.00 0.95 C ATOM 262 OH TYR A 19 2.659 -1.190 9.213 1.00 1.04 O ATOM 0 H TYR A 19 3.620 -3.457 3.025 1.00 0.94 H new ATOM 0 HA TYR A 19 3.837 -0.567 2.467 1.00 1.11 H new ATOM 0 HB2 TYR A 19 5.822 -2.161 4.118 1.00 1.11 H new ATOM 0 HB3 TYR A 19 5.664 -0.419 4.002 1.00 1.11 H new ATOM 0 HD1 TYR A 19 3.602 0.696 5.163 1.00 1.71 H new ATOM 0 HD2 TYR A 19 4.776 -3.387 5.827 1.00 2.06 H new ATOM 0 HE1 TYR A 19 2.520 0.739 7.404 1.00 1.76 H new ATOM 0 HE2 TYR A 19 3.951 -3.266 8.164 1.00 2.03 H new ATOM 0 HH TYR A 19 1.873 -0.605 9.208 1.00 1.04 H new ATOM 272 N LEU A 20 5.572 -1.113 0.651 1.00 1.14 N ATOM 273 CA LEU A 20 6.267 -1.552 -0.573 1.00 1.08 C ATOM 274 C LEU A 20 6.802 -0.417 -1.446 1.00 0.92 C ATOM 275 O LEU A 20 6.324 0.715 -1.394 1.00 0.92 O ATOM 276 CB LEU A 20 5.389 -2.553 -1.375 1.00 1.11 C ATOM 277 CG LEU A 20 3.985 -2.077 -1.813 1.00 1.19 C ATOM 278 CD1 LEU A 20 3.995 -1.210 -3.082 1.00 1.71 C ATOM 279 CD2 LEU A 20 3.085 -3.297 -2.070 1.00 1.77 C ATOM 0 H LEU A 20 5.335 -0.121 0.660 1.00 1.14 H new ATOM 0 HA LEU A 20 7.165 -2.071 -0.237 1.00 1.08 H new ATOM 0 HB2 LEU A 20 5.940 -2.843 -2.269 1.00 1.11 H new ATOM 0 HB3 LEU A 20 5.266 -3.452 -0.771 1.00 1.11 H new ATOM 0 HG LEU A 20 3.607 -1.460 -0.998 1.00 1.19 H new ATOM 0 HD11 LEU A 20 2.975 -0.914 -3.328 1.00 1.71 H new ATOM 0 HD12 LEU A 20 4.600 -0.320 -2.910 1.00 1.71 H new ATOM 0 HD13 LEU A 20 4.417 -1.781 -3.909 1.00 1.71 H new ATOM 0 HD21 LEU A 20 2.095 -2.960 -2.379 1.00 1.77 H new ATOM 0 HD22 LEU A 20 3.521 -3.912 -2.857 1.00 1.77 H new ATOM 0 HD23 LEU A 20 3.000 -3.885 -1.156 1.00 1.77 H new ATOM 291 N THR A 21 7.776 -0.737 -2.298 1.00 0.94 N ATOM 292 CA THR A 21 8.266 0.152 -3.360 1.00 0.91 C ATOM 293 C THR A 21 7.324 0.095 -4.556 1.00 1.02 C ATOM 294 O THR A 21 6.873 -0.981 -4.939 1.00 1.27 O ATOM 295 CB THR A 21 9.671 -0.250 -3.805 1.00 1.16 C ATOM 296 OG1 THR A 21 10.513 -0.273 -2.682 1.00 1.36 O ATOM 297 CG2 THR A 21 10.278 0.737 -4.799 1.00 1.39 C ATOM 0 H THR A 21 8.257 -1.636 -2.272 1.00 0.94 H new ATOM 0 HA THR A 21 8.302 1.167 -2.964 1.00 0.91 H new ATOM 0 HB THR A 21 9.586 -1.225 -4.285 1.00 1.16 H new ATOM 0 HG1 THR A 21 10.233 -0.992 -2.078 1.00 1.36 H new ATOM 0 HG21 THR A 21 11.276 0.402 -5.081 1.00 1.39 H new ATOM 0 HG22 THR A 21 9.649 0.792 -5.688 1.00 1.39 H new ATOM 0 HG23 THR A 21 10.343 1.723 -4.339 1.00 1.39 H new ATOM 305 N LEU A 22 7.081 1.243 -5.185 1.00 1.13 N ATOM 306 CA LEU A 22 6.378 1.372 -6.457 1.00 1.31 C ATOM 307 C LEU A 22 7.192 2.316 -7.347 1.00 1.29 C ATOM 308 O LEU A 22 7.482 3.450 -6.958 1.00 1.36 O ATOM 309 CB LEU A 22 4.971 1.923 -6.163 1.00 1.53 C ATOM 310 CG LEU A 22 3.853 1.710 -7.199 1.00 1.81 C ATOM 311 CD1 LEU A 22 4.310 1.956 -8.636 1.00 2.15 C ATOM 312 CD2 LEU A 22 3.256 0.303 -7.070 1.00 2.28 C ATOM 0 H LEU A 22 7.380 2.142 -4.807 1.00 1.13 H new ATOM 0 HA LEU A 22 6.271 0.419 -6.975 1.00 1.31 H new ATOM 0 HB2 LEU A 22 4.636 1.484 -5.223 1.00 1.53 H new ATOM 0 HB3 LEU A 22 5.066 2.996 -5.998 1.00 1.53 H new ATOM 0 HG LEU A 22 3.087 2.454 -6.978 1.00 1.81 H new ATOM 0 HD11 LEU A 22 3.475 1.789 -9.317 1.00 2.15 H new ATOM 0 HD12 LEU A 22 4.660 2.984 -8.736 1.00 2.15 H new ATOM 0 HD13 LEU A 22 5.121 1.271 -8.882 1.00 2.15 H new ATOM 0 HD21 LEU A 22 2.468 0.173 -7.811 1.00 2.28 H new ATOM 0 HD22 LEU A 22 4.036 -0.440 -7.236 1.00 2.28 H new ATOM 0 HD23 LEU A 22 2.839 0.175 -6.071 1.00 2.28 H new ATOM 324 N GLU A 23 7.530 1.872 -8.550 1.00 1.32 N ATOM 325 CA GLU A 23 8.263 2.678 -9.524 1.00 1.40 C ATOM 326 C GLU A 23 7.948 2.275 -10.960 1.00 1.12 C ATOM 327 O GLU A 23 7.617 1.123 -11.240 1.00 1.23 O ATOM 328 CB GLU A 23 9.767 2.679 -9.228 1.00 2.05 C ATOM 329 CG GLU A 23 10.483 1.332 -9.333 1.00 2.35 C ATOM 330 CD GLU A 23 11.844 1.480 -8.663 1.00 3.18 C ATOM 331 OE1 GLU A 23 12.652 2.310 -9.135 1.00 4.18 O ATOM 332 OE2 GLU A 23 12.040 0.854 -7.602 1.00 3.41 O ATOM 0 H GLU A 23 7.303 0.935 -8.883 1.00 1.32 H new ATOM 0 HA GLU A 23 7.919 3.707 -9.420 1.00 1.40 H new ATOM 0 HB2 GLU A 23 10.249 3.376 -9.913 1.00 2.05 H new ATOM 0 HB3 GLU A 23 9.916 3.067 -8.221 1.00 2.05 H new ATOM 0 HG2 GLU A 23 9.900 0.550 -8.847 1.00 2.35 H new ATOM 0 HG3 GLU A 23 10.600 1.041 -10.377 1.00 2.35 H new ATOM 339 N ASN A 24 8.001 3.267 -11.846 1.00 1.01 N ATOM 340 CA ASN A 24 7.447 3.201 -13.189 1.00 0.86 C ATOM 341 C ASN A 24 8.550 3.156 -14.262 1.00 0.91 C ATOM 342 O ASN A 24 9.181 4.184 -14.522 1.00 1.02 O ATOM 343 CB ASN A 24 6.554 4.434 -13.403 1.00 0.80 C ATOM 344 CG ASN A 24 5.854 4.390 -14.751 1.00 0.73 C ATOM 345 OD1 ASN A 24 5.787 3.361 -15.405 1.00 0.79 O ATOM 346 ND2 ASN A 24 5.321 5.510 -15.186 1.00 0.77 N ATOM 0 H ASN A 24 8.444 4.162 -11.640 1.00 1.01 H new ATOM 0 HA ASN A 24 6.867 2.283 -13.287 1.00 0.86 H new ATOM 0 HB2 ASN A 24 5.810 4.488 -12.608 1.00 0.80 H new ATOM 0 HB3 ASN A 24 7.159 5.338 -13.336 1.00 0.80 H new ATOM 0 HD21 ASN A 24 4.840 5.530 -16.085 1.00 0.77 H new ATOM 0 HD22 ASN A 24 5.388 6.359 -14.624 1.00 0.77 H new ATOM 353 N PRO A 25 8.759 2.023 -14.956 1.00 0.93 N ATOM 354 CA PRO A 25 9.684 1.957 -16.084 1.00 1.04 C ATOM 355 C PRO A 25 9.106 2.544 -17.387 1.00 1.08 C ATOM 356 O PRO A 25 9.866 2.741 -18.336 1.00 1.22 O ATOM 357 CB PRO A 25 9.994 0.463 -16.231 1.00 1.12 C ATOM 358 CG PRO A 25 8.691 -0.204 -15.783 1.00 1.04 C ATOM 359 CD PRO A 25 8.204 0.709 -14.662 1.00 0.96 C ATOM 0 HA PRO A 25 10.572 2.561 -15.898 1.00 1.04 H new ATOM 0 HB2 PRO A 25 10.248 0.203 -17.258 1.00 1.12 H new ATOM 0 HB3 PRO A 25 10.836 0.162 -15.608 1.00 1.12 H new ATOM 0 HG2 PRO A 25 7.968 -0.264 -16.597 1.00 1.04 H new ATOM 0 HG3 PRO A 25 8.859 -1.221 -15.430 1.00 1.04 H new ATOM 0 HD2 PRO A 25 7.115 0.742 -14.629 1.00 0.96 H new ATOM 0 HD3 PRO A 25 8.541 0.350 -13.690 1.00 0.96 H new ATOM 367 N GLY A 26 7.798 2.835 -17.445 1.00 1.03 N ATOM 368 CA GLY A 26 7.079 3.264 -18.650 1.00 1.14 C ATOM 369 C GLY A 26 7.414 4.681 -19.109 1.00 1.08 C ATOM 370 O GLY A 26 8.056 5.458 -18.403 1.00 1.10 O ATOM 0 H GLY A 26 7.193 2.776 -16.626 1.00 1.03 H new ATOM 0 HA2 GLY A 26 7.303 2.570 -19.460 1.00 1.14 H new ATOM 0 HA3 GLY A 26 6.007 3.199 -18.462 1.00 1.14 H new ATOM 374 N ASP A 27 7.031 4.992 -20.344 1.00 1.11 N ATOM 375 CA ASP A 27 7.105 6.308 -20.990 1.00 1.28 C ATOM 376 C ASP A 27 6.034 7.285 -20.469 1.00 1.05 C ATOM 377 O ASP A 27 6.308 8.473 -20.310 1.00 1.05 O ATOM 378 CB ASP A 27 6.925 6.088 -22.504 1.00 1.95 C ATOM 379 CG ASP A 27 5.542 5.513 -22.867 1.00 4.54 C ATOM 380 OD1 ASP A 27 5.178 4.470 -22.268 1.00 5.51 O ATOM 381 OD2 ASP A 27 4.842 6.147 -23.681 1.00 6.13 O ATOM 0 H ASP A 27 6.634 4.287 -20.965 1.00 1.11 H new ATOM 0 HA ASP A 27 8.070 6.761 -20.761 1.00 1.28 H new ATOM 0 HB2 ASP A 27 7.066 7.036 -23.023 1.00 1.95 H new ATOM 0 HB3 ASP A 27 7.700 5.410 -22.862 1.00 1.95 H new ATOM 386 N LEU A 28 4.839 6.766 -20.167 1.00 1.13 N ATOM 387 CA LEU A 28 3.682 7.493 -19.639 1.00 1.08 C ATOM 388 C LEU A 28 3.511 7.261 -18.117 1.00 0.89 C ATOM 389 O LEU A 28 4.114 6.328 -17.577 1.00 0.82 O ATOM 390 CB LEU A 28 2.472 7.123 -20.527 1.00 1.31 C ATOM 391 CG LEU A 28 1.998 5.652 -20.510 1.00 1.44 C ATOM 392 CD1 LEU A 28 1.242 5.284 -19.222 1.00 1.86 C ATOM 393 CD2 LEU A 28 1.057 5.422 -21.702 1.00 1.79 C ATOM 0 H LEU A 28 4.644 5.773 -20.292 1.00 1.13 H new ATOM 0 HA LEU A 28 3.808 8.574 -19.697 1.00 1.08 H new ATOM 0 HB2 LEU A 28 1.632 7.751 -20.229 1.00 1.31 H new ATOM 0 HB3 LEU A 28 2.717 7.386 -21.556 1.00 1.31 H new ATOM 0 HG LEU A 28 2.887 5.024 -20.566 1.00 1.44 H new ATOM 0 HD11 LEU A 28 0.934 4.239 -19.267 1.00 1.86 H new ATOM 0 HD12 LEU A 28 1.895 5.433 -18.362 1.00 1.86 H new ATOM 0 HD13 LEU A 28 0.361 5.918 -19.123 1.00 1.86 H new ATOM 0 HD21 LEU A 28 0.715 4.387 -21.701 1.00 1.79 H new ATOM 0 HD22 LEU A 28 0.198 6.088 -21.621 1.00 1.79 H new ATOM 0 HD23 LEU A 28 1.589 5.628 -22.631 1.00 1.79 H new ATOM 405 N PRO A 29 2.729 8.084 -17.383 1.00 0.87 N ATOM 406 CA PRO A 29 2.669 8.033 -15.920 1.00 0.75 C ATOM 407 C PRO A 29 1.758 6.898 -15.409 1.00 0.72 C ATOM 408 O PRO A 29 0.847 6.450 -16.110 1.00 0.83 O ATOM 409 CB PRO A 29 2.141 9.406 -15.491 1.00 0.84 C ATOM 410 CG PRO A 29 1.241 9.812 -16.657 1.00 1.01 C ATOM 411 CD PRO A 29 1.927 9.194 -17.878 1.00 1.04 C ATOM 0 HA PRO A 29 3.650 7.819 -15.495 1.00 0.75 H new ATOM 0 HB2 PRO A 29 1.586 9.350 -14.554 1.00 0.84 H new ATOM 0 HB3 PRO A 29 2.951 10.120 -15.339 1.00 0.84 H new ATOM 0 HG2 PRO A 29 0.227 9.431 -16.532 1.00 1.01 H new ATOM 0 HG3 PRO A 29 1.166 10.896 -16.746 1.00 1.01 H new ATOM 0 HD2 PRO A 29 1.190 8.848 -18.603 1.00 1.04 H new ATOM 0 HD3 PRO A 29 2.552 9.929 -18.385 1.00 1.04 H new ATOM 419 N LEU A 30 1.952 6.477 -14.151 1.00 0.63 N ATOM 420 CA LEU A 30 1.073 5.546 -13.438 1.00 0.66 C ATOM 421 C LEU A 30 0.203 6.294 -12.446 1.00 0.68 C ATOM 422 O LEU A 30 0.674 7.199 -11.765 1.00 0.86 O ATOM 423 CB LEU A 30 1.865 4.496 -12.657 1.00 0.79 C ATOM 424 CG LEU A 30 2.689 3.587 -13.564 1.00 0.94 C ATOM 425 CD1 LEU A 30 3.360 2.518 -12.705 1.00 2.05 C ATOM 426 CD2 LEU A 30 1.953 2.914 -14.726 1.00 1.58 C ATOM 0 H LEU A 30 2.746 6.784 -13.589 1.00 0.63 H new ATOM 0 HA LEU A 30 0.465 5.052 -14.196 1.00 0.66 H new ATOM 0 HB2 LEU A 30 2.528 4.997 -11.952 1.00 0.79 H new ATOM 0 HB3 LEU A 30 1.176 3.889 -12.070 1.00 0.79 H new ATOM 0 HG LEU A 30 3.401 4.253 -14.052 1.00 0.94 H new ATOM 0 HD11 LEU A 30 3.953 1.860 -13.340 1.00 2.05 H new ATOM 0 HD12 LEU A 30 4.009 2.996 -11.971 1.00 2.05 H new ATOM 0 HD13 LEU A 30 2.598 1.934 -12.190 1.00 2.05 H new ATOM 0 HD21 LEU A 30 2.652 2.297 -15.291 1.00 1.58 H new ATOM 0 HD22 LEU A 30 1.151 2.288 -14.335 1.00 1.58 H new ATOM 0 HD23 LEU A 30 1.532 3.677 -15.381 1.00 1.58 H new ATOM 438 N ARG A 31 -1.018 5.796 -12.287 1.00 0.62 N ATOM 439 CA ARG A 31 -1.944 6.172 -11.210 1.00 0.62 C ATOM 440 C ARG A 31 -2.463 4.892 -10.557 1.00 0.56 C ATOM 441 O ARG A 31 -3.234 4.160 -11.172 1.00 0.58 O ATOM 442 CB ARG A 31 -3.056 7.099 -11.740 1.00 0.74 C ATOM 443 CG ARG A 31 -3.998 7.581 -10.622 1.00 0.80 C ATOM 444 CD ARG A 31 -4.964 8.701 -11.040 1.00 0.97 C ATOM 445 NE ARG A 31 -4.348 10.043 -11.015 1.00 1.83 N ATOM 446 CZ ARG A 31 -4.966 11.207 -10.851 1.00 2.84 C ATOM 447 NH1 ARG A 31 -6.277 11.296 -10.758 1.00 3.67 N ATOM 448 NH2 ARG A 31 -4.255 12.304 -10.769 1.00 3.83 N ATOM 0 H ARG A 31 -1.408 5.098 -12.920 1.00 0.62 H new ATOM 0 HA ARG A 31 -1.435 6.754 -10.442 1.00 0.62 H new ATOM 0 HB2 ARG A 31 -2.604 7.962 -12.228 1.00 0.74 H new ATOM 0 HB3 ARG A 31 -3.635 6.571 -12.498 1.00 0.74 H new ATOM 0 HG2 ARG A 31 -4.580 6.732 -10.264 1.00 0.80 H new ATOM 0 HG3 ARG A 31 -3.396 7.932 -9.784 1.00 0.80 H new ATOM 0 HD2 ARG A 31 -5.333 8.497 -12.045 1.00 0.97 H new ATOM 0 HD3 ARG A 31 -5.828 8.693 -10.376 1.00 0.97 H new ATOM 0 HE ARG A 31 -3.336 10.080 -11.137 1.00 1.83 H new ATOM 0 HH11 ARG A 31 -6.850 10.454 -10.812 1.00 3.67 H new ATOM 0 HH12 ARG A 31 -6.719 12.207 -10.632 1.00 3.67 H new ATOM 0 HH21 ARG A 31 -3.238 12.258 -10.831 1.00 3.83 H new ATOM 0 HH22 ARG A 31 -4.718 13.204 -10.643 1.00 3.83 H new ATOM 462 N LEU A 32 -1.968 4.584 -9.361 1.00 0.53 N ATOM 463 CA LEU A 32 -2.282 3.404 -8.557 1.00 0.49 C ATOM 464 C LEU A 32 -3.619 3.646 -7.846 1.00 0.45 C ATOM 465 O LEU A 32 -3.675 4.406 -6.886 1.00 0.60 O ATOM 466 CB LEU A 32 -1.113 3.190 -7.570 1.00 0.51 C ATOM 467 CG LEU A 32 -1.280 2.020 -6.575 1.00 0.48 C ATOM 468 CD1 LEU A 32 -1.245 0.657 -7.279 1.00 0.57 C ATOM 469 CD2 LEU A 32 -0.151 2.077 -5.535 1.00 0.67 C ATOM 0 H LEU A 32 -1.293 5.191 -8.897 1.00 0.53 H new ATOM 0 HA LEU A 32 -2.391 2.502 -9.160 1.00 0.49 H new ATOM 0 HB2 LEU A 32 -0.202 3.026 -8.145 1.00 0.51 H new ATOM 0 HB3 LEU A 32 -0.970 4.109 -7.001 1.00 0.51 H new ATOM 0 HG LEU A 32 -2.254 2.125 -6.096 1.00 0.48 H new ATOM 0 HD11 LEU A 32 -1.366 -0.137 -6.542 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -2.055 0.603 -8.007 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -0.290 0.536 -7.789 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -0.264 1.253 -4.830 1.00 0.67 H new ATOM 0 HD22 LEU A 32 0.812 1.994 -6.039 1.00 0.67 H new ATOM 0 HD23 LEU A 32 -0.199 3.024 -4.997 1.00 0.67 H new ATOM 481 N VAL A 33 -4.686 3.014 -8.322 1.00 0.39 N ATOM 482 CA VAL A 33 -6.063 3.236 -7.832 1.00 0.39 C ATOM 483 C VAL A 33 -6.478 2.210 -6.765 1.00 0.42 C ATOM 484 O VAL A 33 -7.456 2.416 -6.050 1.00 0.47 O ATOM 485 CB VAL A 33 -7.091 3.269 -8.991 1.00 0.42 C ATOM 486 CG1 VAL A 33 -6.819 4.451 -9.941 1.00 0.46 C ATOM 487 CG2 VAL A 33 -7.124 1.976 -9.828 1.00 0.49 C ATOM 0 H VAL A 33 -4.630 2.322 -9.069 1.00 0.39 H new ATOM 0 HA VAL A 33 -6.061 4.217 -7.357 1.00 0.39 H new ATOM 0 HB VAL A 33 -8.060 3.379 -8.504 1.00 0.42 H new ATOM 0 HG11 VAL A 33 -7.556 4.449 -10.744 1.00 0.46 H new ATOM 0 HG12 VAL A 33 -6.889 5.387 -9.387 1.00 0.46 H new ATOM 0 HG13 VAL A 33 -5.819 4.355 -10.365 1.00 0.46 H new ATOM 0 HG21 VAL A 33 -7.867 2.074 -10.620 1.00 0.49 H new ATOM 0 HG22 VAL A 33 -6.143 1.804 -10.270 1.00 0.49 H new ATOM 0 HG23 VAL A 33 -7.386 1.134 -9.187 1.00 0.49 H new ATOM 497 N GLY A 34 -5.723 1.111 -6.639 1.00 0.44 N ATOM 498 CA GLY A 34 -5.929 0.097 -5.605 1.00 0.51 C ATOM 499 C GLY A 34 -4.999 -1.101 -5.761 1.00 0.52 C ATOM 500 O GLY A 34 -4.023 -1.044 -6.508 1.00 0.51 O ATOM 0 H GLY A 34 -4.943 0.901 -7.262 1.00 0.44 H new ATOM 0 HA2 GLY A 34 -5.773 0.547 -4.625 1.00 0.51 H new ATOM 0 HA3 GLY A 34 -6.964 -0.245 -5.638 1.00 0.51 H new ATOM 504 N ALA A 35 -5.323 -2.205 -5.091 1.00 0.60 N ATOM 505 CA ALA A 35 -4.697 -3.504 -5.303 1.00 0.64 C ATOM 506 C ALA A 35 -5.682 -4.647 -4.991 1.00 0.66 C ATOM 507 O ALA A 35 -6.815 -4.381 -4.589 1.00 0.73 O ATOM 508 CB ALA A 35 -3.395 -3.587 -4.500 1.00 0.85 C ATOM 0 H ALA A 35 -6.044 -2.219 -4.370 1.00 0.60 H new ATOM 0 HA ALA A 35 -4.433 -3.619 -6.354 1.00 0.64 H new ATOM 0 HB1 ALA A 35 -2.930 -4.559 -4.661 1.00 0.85 H new ATOM 0 HB2 ALA A 35 -2.715 -2.801 -4.827 1.00 0.85 H new ATOM 0 HB3 ALA A 35 -3.613 -3.460 -3.440 1.00 0.85 H new ATOM 514 N ARG A 36 -5.274 -5.904 -5.186 1.00 0.72 N ATOM 515 CA ARG A 36 -6.119 -7.091 -5.078 1.00 0.88 C ATOM 516 C ARG A 36 -5.238 -8.221 -4.542 1.00 0.79 C ATOM 517 O ARG A 36 -4.218 -8.513 -5.158 1.00 0.93 O ATOM 518 CB ARG A 36 -6.665 -7.370 -6.494 1.00 1.26 C ATOM 519 CG ARG A 36 -7.220 -8.789 -6.689 1.00 1.69 C ATOM 520 CD ARG A 36 -7.281 -9.253 -8.150 1.00 3.15 C ATOM 521 NE ARG A 36 -7.913 -8.269 -9.048 1.00 3.82 N ATOM 522 CZ ARG A 36 -7.535 -7.977 -10.289 1.00 5.23 C ATOM 523 NH1 ARG A 36 -6.517 -8.559 -10.889 1.00 6.06 N ATOM 524 NH2 ARG A 36 -8.197 -7.062 -10.964 1.00 6.46 N ATOM 0 H ARG A 36 -4.310 -6.129 -5.432 1.00 0.72 H new ATOM 0 HA ARG A 36 -6.965 -6.978 -4.400 1.00 0.88 H new ATOM 0 HB2 ARG A 36 -7.453 -6.651 -6.715 1.00 1.26 H new ATOM 0 HB3 ARG A 36 -5.868 -7.202 -7.218 1.00 1.26 H new ATOM 0 HG2 ARG A 36 -6.603 -9.488 -6.125 1.00 1.69 H new ATOM 0 HG3 ARG A 36 -8.223 -8.835 -6.264 1.00 1.69 H new ATOM 0 HD2 ARG A 36 -6.270 -9.458 -8.501 1.00 3.15 H new ATOM 0 HD3 ARG A 36 -7.834 -10.191 -8.203 1.00 3.15 H new ATOM 0 HE ARG A 36 -8.719 -7.763 -8.681 1.00 3.82 H new ATOM 0 HH11 ARG A 36 -5.976 -9.272 -10.399 1.00 6.06 H new ATOM 0 HH12 ARG A 36 -6.270 -8.297 -11.843 1.00 6.06 H new ATOM 0 HH21 ARG A 36 -8.990 -6.586 -10.535 1.00 6.46 H new ATOM 0 HH22 ARG A 36 -7.917 -6.829 -11.917 1.00 6.46 H new ATOM 538 N THR A 37 -5.611 -8.859 -3.432 1.00 0.65 N ATOM 539 CA THR A 37 -4.770 -9.824 -2.699 1.00 0.59 C ATOM 540 C THR A 37 -5.631 -10.971 -2.163 1.00 0.59 C ATOM 541 O THR A 37 -6.785 -10.710 -1.825 1.00 0.60 O ATOM 542 CB THR A 37 -4.031 -9.097 -1.578 1.00 0.70 C ATOM 543 OG1 THR A 37 -3.239 -10.034 -0.912 1.00 0.80 O ATOM 544 CG2 THR A 37 -4.906 -8.395 -0.543 1.00 0.76 C ATOM 0 H THR A 37 -6.526 -8.721 -3.003 1.00 0.65 H new ATOM 0 HA THR A 37 -4.029 -10.259 -3.370 1.00 0.59 H new ATOM 0 HB THR A 37 -3.465 -8.303 -2.064 1.00 0.70 H new ATOM 0 HG1 THR A 37 -2.481 -10.284 -1.480 1.00 0.80 H new ATOM 0 HG21 THR A 37 -4.273 -7.914 0.203 1.00 0.76 H new ATOM 0 HG22 THR A 37 -5.521 -7.642 -1.037 1.00 0.76 H new ATOM 0 HG23 THR A 37 -5.550 -9.126 -0.055 1.00 0.76 H new ATOM 552 N PRO A 38 -5.111 -12.209 -2.014 1.00 0.68 N ATOM 553 CA PRO A 38 -5.850 -13.300 -1.387 1.00 0.74 C ATOM 554 C PRO A 38 -5.852 -13.235 0.141 1.00 0.80 C ATOM 555 O PRO A 38 -6.480 -14.086 0.759 1.00 1.06 O ATOM 556 CB PRO A 38 -5.146 -14.555 -1.878 1.00 0.83 C ATOM 557 CG PRO A 38 -3.686 -14.142 -1.980 1.00 0.82 C ATOM 558 CD PRO A 38 -3.803 -12.695 -2.451 1.00 0.79 C ATOM 0 HA PRO A 38 -6.906 -13.262 -1.656 1.00 0.74 H new ATOM 0 HB2 PRO A 38 -5.279 -15.385 -1.183 1.00 0.83 H new ATOM 0 HB3 PRO A 38 -5.537 -14.881 -2.842 1.00 0.83 H new ATOM 0 HG2 PRO A 38 -3.171 -14.220 -1.022 1.00 0.82 H new ATOM 0 HG3 PRO A 38 -3.135 -14.760 -2.689 1.00 0.82 H new ATOM 0 HD2 PRO A 38 -3.004 -12.086 -2.028 1.00 0.79 H new ATOM 0 HD3 PRO A 38 -3.711 -12.634 -3.535 1.00 0.79 H new ATOM 566 N VAL A 39 -5.148 -12.267 0.736 1.00 0.77 N ATOM 567 CA VAL A 39 -4.995 -12.136 2.210 1.00 0.89 C ATOM 568 C VAL A 39 -5.900 -11.089 2.883 1.00 0.95 C ATOM 569 O VAL A 39 -5.921 -10.998 4.108 1.00 1.08 O ATOM 570 CB VAL A 39 -3.520 -11.910 2.639 1.00 1.00 C ATOM 571 CG1 VAL A 39 -2.563 -12.815 1.843 1.00 1.09 C ATOM 572 CG2 VAL A 39 -3.071 -10.441 2.535 1.00 0.99 C ATOM 0 H VAL A 39 -4.659 -11.540 0.214 1.00 0.77 H new ATOM 0 HA VAL A 39 -5.335 -13.105 2.574 1.00 0.89 H new ATOM 0 HB VAL A 39 -3.475 -12.180 3.694 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -1.538 -12.634 2.166 1.00 1.09 H new ATOM 0 HG12 VAL A 39 -2.819 -13.860 2.019 1.00 1.09 H new ATOM 0 HG13 VAL A 39 -2.653 -12.593 0.780 1.00 1.09 H new ATOM 0 HG21 VAL A 39 -2.031 -10.355 2.850 1.00 0.99 H new ATOM 0 HG22 VAL A 39 -3.167 -10.103 1.503 1.00 0.99 H new ATOM 0 HG23 VAL A 39 -3.697 -9.823 3.178 1.00 0.99 H new ATOM 582 N ALA A 40 -6.674 -10.310 2.117 1.00 0.91 N ATOM 583 CA ALA A 40 -7.527 -9.225 2.621 1.00 0.97 C ATOM 584 C ALA A 40 -8.936 -9.316 2.028 1.00 0.82 C ATOM 585 O ALA A 40 -9.071 -9.703 0.871 1.00 0.98 O ATOM 586 CB ALA A 40 -6.891 -7.880 2.265 1.00 1.12 C ATOM 0 H ALA A 40 -6.726 -10.419 1.104 1.00 0.91 H new ATOM 0 HA ALA A 40 -7.613 -9.316 3.704 1.00 0.97 H new ATOM 0 HB1 ALA A 40 -7.520 -7.071 2.636 1.00 1.12 H new ATOM 0 HB2 ALA A 40 -5.904 -7.812 2.722 1.00 1.12 H new ATOM 0 HB3 ALA A 40 -6.796 -7.798 1.182 1.00 1.12 H new ATOM 592 N GLU A 41 -9.957 -8.964 2.818 1.00 0.84 N ATOM 593 CA GLU A 41 -11.350 -8.980 2.374 1.00 1.02 C ATOM 594 C GLU A 41 -11.648 -7.664 1.643 1.00 0.93 C ATOM 595 O GLU A 41 -11.610 -7.605 0.416 1.00 1.16 O ATOM 596 CB GLU A 41 -12.270 -9.259 3.587 1.00 1.28 C ATOM 597 CG GLU A 41 -13.642 -9.814 3.181 1.00 1.71 C ATOM 598 CD GLU A 41 -13.495 -11.135 2.429 1.00 2.35 C ATOM 599 OE1 GLU A 41 -12.768 -12.026 2.923 1.00 3.66 O ATOM 600 OE2 GLU A 41 -13.951 -11.226 1.270 1.00 2.53 O ATOM 0 H GLU A 41 -9.837 -8.660 3.784 1.00 0.84 H new ATOM 0 HA GLU A 41 -11.541 -9.782 1.662 1.00 1.02 H new ATOM 0 HB2 GLU A 41 -11.779 -9.969 4.253 1.00 1.28 H new ATOM 0 HB3 GLU A 41 -12.409 -8.337 4.151 1.00 1.28 H new ATOM 0 HG2 GLU A 41 -14.256 -9.963 4.069 1.00 1.71 H new ATOM 0 HG3 GLU A 41 -14.161 -9.089 2.553 1.00 1.71 H new ATOM 607 N ARG A 42 -11.821 -6.567 2.388 1.00 0.84 N ATOM 608 CA ARG A 42 -11.796 -5.211 1.839 1.00 0.84 C ATOM 609 C ARG A 42 -10.361 -4.673 1.916 1.00 0.75 C ATOM 610 O ARG A 42 -9.767 -4.659 2.989 1.00 1.03 O ATOM 611 CB ARG A 42 -12.777 -4.332 2.627 1.00 0.97 C ATOM 612 CG ARG A 42 -12.934 -2.917 2.041 1.00 1.14 C ATOM 613 CD ARG A 42 -13.085 -1.852 3.134 1.00 1.47 C ATOM 614 NE ARG A 42 -14.226 -2.111 4.033 1.00 2.01 N ATOM 615 CZ ARG A 42 -14.529 -1.382 5.103 1.00 2.97 C ATOM 616 NH1 ARG A 42 -13.820 -0.335 5.465 1.00 3.54 N ATOM 617 NH2 ARG A 42 -15.568 -1.708 5.841 1.00 4.03 N ATOM 0 H ARG A 42 -11.983 -6.597 3.395 1.00 0.84 H new ATOM 0 HA ARG A 42 -12.106 -5.207 0.794 1.00 0.84 H new ATOM 0 HB2 ARG A 42 -13.752 -4.818 2.650 1.00 0.97 H new ATOM 0 HB3 ARG A 42 -12.436 -4.254 3.659 1.00 0.97 H new ATOM 0 HG2 ARG A 42 -12.066 -2.682 1.425 1.00 1.14 H new ATOM 0 HG3 ARG A 42 -13.806 -2.891 1.387 1.00 1.14 H new ATOM 0 HD2 ARG A 42 -12.168 -1.809 3.722 1.00 1.47 H new ATOM 0 HD3 ARG A 42 -13.211 -0.875 2.668 1.00 1.47 H new ATOM 0 HE ARG A 42 -14.826 -2.907 3.818 1.00 2.01 H new ATOM 0 HH11 ARG A 42 -13.005 -0.057 4.918 1.00 3.54 H new ATOM 0 HH12 ARG A 42 -14.085 0.199 6.293 1.00 3.54 H new ATOM 0 HH21 ARG A 42 -16.137 -2.517 5.592 1.00 4.03 H new ATOM 0 HH22 ARG A 42 -15.804 -1.152 6.663 1.00 4.03 H new ATOM 631 N VAL A 43 -9.825 -4.204 0.794 1.00 0.64 N ATOM 632 CA VAL A 43 -8.526 -3.516 0.690 1.00 0.64 C ATOM 633 C VAL A 43 -8.743 -2.042 0.315 1.00 0.66 C ATOM 634 O VAL A 43 -9.598 -1.736 -0.515 1.00 0.87 O ATOM 635 CB VAL A 43 -7.582 -4.250 -0.295 1.00 0.90 C ATOM 636 CG1 VAL A 43 -8.223 -4.565 -1.657 1.00 1.20 C ATOM 637 CG2 VAL A 43 -6.256 -3.503 -0.518 1.00 0.93 C ATOM 0 H VAL A 43 -10.295 -4.292 -0.107 1.00 0.64 H new ATOM 0 HA VAL A 43 -8.030 -3.538 1.660 1.00 0.64 H new ATOM 0 HB VAL A 43 -7.376 -5.198 0.201 1.00 0.90 H new ATOM 0 HG11 VAL A 43 -7.499 -5.079 -2.290 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -9.094 -5.203 -1.510 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -8.531 -3.636 -2.138 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -5.635 -4.064 -1.217 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -6.460 -2.514 -0.928 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -5.731 -3.401 0.432 1.00 0.93 H new ATOM 647 N GLU A 44 -7.985 -1.145 0.949 1.00 0.61 N ATOM 648 CA GLU A 44 -8.018 0.314 0.763 1.00 0.64 C ATOM 649 C GLU A 44 -6.579 0.853 0.704 1.00 0.69 C ATOM 650 O GLU A 44 -5.768 0.450 1.534 1.00 0.85 O ATOM 651 CB GLU A 44 -8.697 0.981 1.980 1.00 0.73 C ATOM 652 CG GLU A 44 -10.175 0.617 2.195 1.00 0.80 C ATOM 653 CD GLU A 44 -10.744 1.203 3.494 1.00 1.18 C ATOM 654 OE1 GLU A 44 -10.219 2.228 3.982 1.00 2.31 O ATOM 655 OE2 GLU A 44 -11.728 0.614 4.001 1.00 2.06 O ATOM 0 H GLU A 44 -7.294 -1.428 1.644 1.00 0.61 H new ATOM 0 HA GLU A 44 -8.562 0.534 -0.156 1.00 0.64 H new ATOM 0 HB2 GLU A 44 -8.140 0.712 2.878 1.00 0.73 H new ATOM 0 HB3 GLU A 44 -8.620 2.063 1.870 1.00 0.73 H new ATOM 0 HG2 GLU A 44 -10.761 0.979 1.350 1.00 0.80 H new ATOM 0 HG3 GLU A 44 -10.279 -0.468 2.214 1.00 0.80 H new ATOM 662 N LEU A 45 -6.219 1.774 -0.204 1.00 0.64 N ATOM 663 CA LEU A 45 -4.970 2.519 -0.096 1.00 0.67 C ATOM 664 C LEU A 45 -5.147 3.769 0.775 1.00 0.69 C ATOM 665 O LEU A 45 -5.990 4.628 0.498 1.00 0.70 O ATOM 666 CB LEU A 45 -4.478 2.838 -1.513 1.00 0.68 C ATOM 667 CG LEU A 45 -3.019 3.320 -1.499 1.00 0.67 C ATOM 668 CD1 LEU A 45 -2.327 2.925 -2.792 1.00 0.66 C ATOM 669 CD2 LEU A 45 -2.908 4.835 -1.428 1.00 0.73 C ATOM 0 H LEU A 45 -6.781 2.016 -1.020 1.00 0.64 H new ATOM 0 HA LEU A 45 -4.210 1.921 0.406 1.00 0.67 H new ATOM 0 HB2 LEU A 45 -4.564 1.950 -2.139 1.00 0.68 H new ATOM 0 HB3 LEU A 45 -5.113 3.605 -1.957 1.00 0.68 H new ATOM 0 HG LEU A 45 -2.564 2.864 -0.620 1.00 0.67 H new ATOM 0 HD11 LEU A 45 -1.294 3.271 -2.772 1.00 0.66 H new ATOM 0 HD12 LEU A 45 -2.344 1.840 -2.897 1.00 0.66 H new ATOM 0 HD13 LEU A 45 -2.846 3.380 -3.636 1.00 0.66 H new ATOM 0 HD21 LEU A 45 -1.857 5.123 -1.421 1.00 0.73 H new ATOM 0 HD22 LEU A 45 -3.399 5.277 -2.295 1.00 0.73 H new ATOM 0 HD23 LEU A 45 -3.388 5.193 -0.517 1.00 0.73 H new ATOM 681 N HIS A 46 -4.316 3.881 1.811 1.00 0.70 N ATOM 682 CA HIS A 46 -4.217 5.034 2.705 1.00 0.72 C ATOM 683 C HIS A 46 -2.924 5.867 2.504 1.00 0.69 C ATOM 684 O HIS A 46 -1.878 5.373 2.076 1.00 0.68 O ATOM 685 CB HIS A 46 -4.346 4.586 4.182 1.00 0.76 C ATOM 686 CG HIS A 46 -5.714 4.171 4.686 1.00 0.77 C ATOM 687 ND1 HIS A 46 -6.113 4.272 6.022 1.00 0.83 N ATOM 688 CD2 HIS A 46 -6.772 3.683 3.969 1.00 0.76 C ATOM 689 CE1 HIS A 46 -7.367 3.791 6.076 1.00 0.83 C ATOM 690 NE2 HIS A 46 -7.787 3.418 4.857 1.00 0.79 N ATOM 0 H HIS A 46 -3.664 3.137 2.061 1.00 0.70 H new ATOM 0 HA HIS A 46 -5.047 5.691 2.446 1.00 0.72 H new ATOM 0 HB2 HIS A 46 -3.666 3.749 4.337 1.00 0.76 H new ATOM 0 HB3 HIS A 46 -3.993 5.404 4.810 1.00 0.76 H new ATOM 0 HD2 HIS A 46 -6.804 3.533 2.900 1.00 0.76 H new ATOM 0 HE1 HIS A 46 -7.956 3.715 6.978 1.00 0.83 H new ATOM 0 HE2 HIS A 46 -8.695 3.012 4.631 1.00 0.79 H new ATOM 698 N GLU A 47 -3.042 7.149 2.851 1.00 0.68 N ATOM 699 CA GLU A 47 -1.984 8.153 3.019 1.00 0.61 C ATOM 700 C GLU A 47 -1.678 8.380 4.514 1.00 0.59 C ATOM 701 O GLU A 47 -2.324 7.814 5.400 1.00 0.71 O ATOM 702 CB GLU A 47 -2.425 9.495 2.379 1.00 0.64 C ATOM 703 CG GLU A 47 -3.724 10.039 3.010 1.00 0.77 C ATOM 704 CD GLU A 47 -4.013 11.526 2.813 1.00 1.02 C ATOM 705 OE1 GLU A 47 -3.064 12.320 2.665 1.00 1.99 O ATOM 706 OE2 GLU A 47 -5.212 11.887 2.917 1.00 2.29 O ATOM 0 H GLU A 47 -3.961 7.549 3.039 1.00 0.68 H new ATOM 0 HA GLU A 47 -1.084 7.786 2.526 1.00 0.61 H new ATOM 0 HB2 GLU A 47 -1.630 10.231 2.496 1.00 0.64 H new ATOM 0 HB3 GLU A 47 -2.574 9.354 1.308 1.00 0.64 H new ATOM 0 HG2 GLU A 47 -4.562 9.473 2.604 1.00 0.77 H new ATOM 0 HG3 GLU A 47 -3.692 9.838 4.081 1.00 0.77 H new ATOM 713 N THR A 48 -0.738 9.283 4.796 1.00 0.61 N ATOM 714 CA THR A 48 -0.557 9.939 6.093 1.00 0.69 C ATOM 715 C THR A 48 -0.491 11.437 5.832 1.00 0.90 C ATOM 716 O THR A 48 0.499 11.924 5.289 1.00 1.09 O ATOM 717 CB THR A 48 0.719 9.456 6.772 1.00 1.04 C ATOM 718 OG1 THR A 48 0.663 8.052 6.836 1.00 1.22 O ATOM 719 CG2 THR A 48 0.838 9.991 8.195 1.00 1.21 C ATOM 0 H THR A 48 -0.056 9.589 4.102 1.00 0.61 H new ATOM 0 HA THR A 48 -1.384 9.699 6.761 1.00 0.69 H new ATOM 0 HB THR A 48 1.576 9.811 6.200 1.00 1.04 H new ATOM 0 HG1 THR A 48 0.662 7.683 5.928 1.00 1.22 H new ATOM 0 HG21 THR A 48 1.760 9.625 8.646 1.00 1.21 H new ATOM 0 HG22 THR A 48 0.852 11.081 8.174 1.00 1.21 H new ATOM 0 HG23 THR A 48 -0.014 9.651 8.784 1.00 1.21 H new ATOM 727 N PHE A 49 -1.542 12.162 6.208 1.00 1.17 N ATOM 728 CA PHE A 49 -1.635 13.607 6.034 1.00 1.40 C ATOM 729 C PHE A 49 -1.108 14.360 7.260 1.00 1.30 C ATOM 730 O PHE A 49 -1.096 13.853 8.382 1.00 1.17 O ATOM 731 CB PHE A 49 -3.087 14.022 5.731 1.00 1.53 C ATOM 732 CG PHE A 49 -4.079 13.830 6.866 1.00 1.37 C ATOM 733 CD1 PHE A 49 -4.772 12.614 6.986 1.00 2.21 C ATOM 734 CD2 PHE A 49 -4.314 14.855 7.805 1.00 2.06 C ATOM 735 CE1 PHE A 49 -5.685 12.417 8.035 1.00 2.20 C ATOM 736 CE2 PHE A 49 -5.235 14.665 8.847 1.00 2.10 C ATOM 737 CZ PHE A 49 -5.919 13.446 8.958 1.00 1.42 C ATOM 0 H PHE A 49 -2.366 11.754 6.649 1.00 1.17 H new ATOM 0 HA PHE A 49 -1.007 13.877 5.185 1.00 1.40 H new ATOM 0 HB2 PHE A 49 -3.092 15.073 5.443 1.00 1.53 H new ATOM 0 HB3 PHE A 49 -3.435 13.453 4.869 1.00 1.53 H new ATOM 0 HD1 PHE A 49 -4.602 11.826 6.267 1.00 2.21 H new ATOM 0 HD2 PHE A 49 -3.782 15.791 7.722 1.00 2.06 H new ATOM 0 HE1 PHE A 49 -6.205 11.475 8.130 1.00 2.20 H new ATOM 0 HE2 PHE A 49 -5.416 15.455 9.561 1.00 2.10 H new ATOM 0 HZ PHE A 49 -6.629 13.299 9.758 1.00 1.42 H new ATOM 747 N MET A 50 -0.803 15.640 7.049 1.00 1.52 N ATOM 748 CA MET A 50 -0.776 16.655 8.106 1.00 1.63 C ATOM 749 C MET A 50 -1.798 17.764 7.826 1.00 1.71 C ATOM 750 O MET A 50 -2.391 17.815 6.742 1.00 2.28 O ATOM 751 CB MET A 50 0.650 17.195 8.288 1.00 1.78 C ATOM 752 CG MET A 50 1.474 16.206 9.117 1.00 2.64 C ATOM 753 SD MET A 50 3.202 16.680 9.353 1.00 3.09 S ATOM 754 CE MET A 50 3.857 16.191 7.739 1.00 3.30 C ATOM 0 H MET A 50 -0.564 16.008 6.128 1.00 1.52 H new ATOM 0 HA MET A 50 -1.069 16.196 9.050 1.00 1.63 H new ATOM 0 HB2 MET A 50 1.118 17.348 7.316 1.00 1.78 H new ATOM 0 HB3 MET A 50 0.621 18.165 8.784 1.00 1.78 H new ATOM 0 HG2 MET A 50 1.005 16.092 10.094 1.00 2.64 H new ATOM 0 HG3 MET A 50 1.441 15.230 8.632 1.00 2.64 H new ATOM 0 HE1 MET A 50 4.924 16.410 7.698 1.00 3.30 H new ATOM 0 HE2 MET A 50 3.700 15.123 7.591 1.00 3.30 H new ATOM 0 HE3 MET A 50 3.342 16.745 6.954 1.00 3.30 H new ATOM 764 N ARG A 51 -2.031 18.601 8.843 1.00 1.49 N ATOM 765 CA ARG A 51 -2.992 19.712 8.908 1.00 1.56 C ATOM 766 C ARG A 51 -2.844 20.447 10.249 1.00 1.50 C ATOM 767 O ARG A 51 -2.285 19.900 11.207 1.00 1.45 O ATOM 768 CB ARG A 51 -4.441 19.199 8.703 1.00 1.70 C ATOM 769 CG ARG A 51 -4.969 19.460 7.279 1.00 2.66 C ATOM 770 CD ARG A 51 -5.888 18.325 6.806 1.00 2.90 C ATOM 771 NE ARG A 51 -6.254 18.463 5.385 1.00 4.12 N ATOM 772 CZ ARG A 51 -5.518 18.072 4.348 1.00 5.05 C ATOM 773 NH1 ARG A 51 -4.292 17.601 4.491 1.00 5.31 N ATOM 774 NH2 ARG A 51 -6.019 18.149 3.132 1.00 6.31 N ATOM 0 H ARG A 51 -1.510 18.513 9.715 1.00 1.49 H new ATOM 0 HA ARG A 51 -2.779 20.415 8.103 1.00 1.56 H new ATOM 0 HB2 ARG A 51 -4.476 18.129 8.908 1.00 1.70 H new ATOM 0 HB3 ARG A 51 -5.099 19.683 9.424 1.00 1.70 H new ATOM 0 HG2 ARG A 51 -5.514 20.404 7.259 1.00 2.66 H new ATOM 0 HG3 ARG A 51 -4.130 19.561 6.591 1.00 2.66 H new ATOM 0 HD2 ARG A 51 -5.390 17.368 6.960 1.00 2.90 H new ATOM 0 HD3 ARG A 51 -6.793 18.315 7.414 1.00 2.90 H new ATOM 0 HE ARG A 51 -7.153 18.898 5.178 1.00 4.12 H new ATOM 0 HH11 ARG A 51 -3.879 17.527 5.421 1.00 5.31 H new ATOM 0 HH12 ARG A 51 -3.758 17.311 3.672 1.00 5.31 H new ATOM 0 HH21 ARG A 51 -6.964 18.506 2.991 1.00 6.31 H new ATOM 0 HH22 ARG A 51 -5.462 17.851 2.331 1.00 6.31 H new ATOM 788 N GLU A 52 -3.390 21.654 10.327 1.00 1.60 N ATOM 789 CA GLU A 52 -3.610 22.366 11.582 1.00 1.60 C ATOM 790 C GLU A 52 -5.014 22.044 12.084 1.00 1.58 C ATOM 791 O GLU A 52 -5.914 21.844 11.274 1.00 1.72 O ATOM 792 CB GLU A 52 -3.443 23.882 11.397 1.00 1.89 C ATOM 793 CG GLU A 52 -2.005 24.346 11.646 1.00 2.01 C ATOM 794 CD GLU A 52 -1.041 24.071 10.492 1.00 2.69 C ATOM 795 OE1 GLU A 52 -0.803 22.890 10.148 1.00 3.00 O ATOM 796 OE2 GLU A 52 -0.391 25.023 10.013 1.00 3.73 O ATOM 0 H GLU A 52 -3.698 22.176 9.506 1.00 1.60 H new ATOM 0 HA GLU A 52 -2.868 22.043 12.313 1.00 1.60 H new ATOM 0 HB2 GLU A 52 -3.740 24.157 10.385 1.00 1.89 H new ATOM 0 HB3 GLU A 52 -4.114 24.405 12.079 1.00 1.89 H new ATOM 0 HG2 GLU A 52 -2.012 25.417 11.849 1.00 2.01 H new ATOM 0 HG3 GLU A 52 -1.628 23.854 12.543 1.00 2.01 H new ATOM 803 N VAL A 53 -5.184 22.005 13.406 1.00 1.55 N ATOM 804 CA VAL A 53 -6.497 21.780 14.059 1.00 1.71 C ATOM 805 C VAL A 53 -7.009 22.991 14.863 1.00 2.17 C ATOM 806 O VAL A 53 -8.179 23.070 15.224 1.00 3.49 O ATOM 807 CB VAL A 53 -6.458 20.482 14.895 1.00 1.62 C ATOM 808 CG1 VAL A 53 -5.720 20.713 16.214 1.00 2.19 C ATOM 809 CG2 VAL A 53 -7.848 19.878 15.146 1.00 2.83 C ATOM 0 H VAL A 53 -4.417 22.128 14.067 1.00 1.55 H new ATOM 0 HA VAL A 53 -7.234 21.656 13.265 1.00 1.71 H new ATOM 0 HB VAL A 53 -5.910 19.750 14.302 1.00 1.62 H new ATOM 0 HG11 VAL A 53 -5.703 19.787 16.789 1.00 2.19 H new ATOM 0 HG12 VAL A 53 -4.698 21.031 16.008 1.00 2.19 H new ATOM 0 HG13 VAL A 53 -6.232 21.486 16.787 1.00 2.19 H new ATOM 0 HG21 VAL A 53 -7.748 18.969 15.739 1.00 2.83 H new ATOM 0 HG22 VAL A 53 -8.465 20.597 15.685 1.00 2.83 H new ATOM 0 HG23 VAL A 53 -8.319 19.639 14.192 1.00 2.83 H new ATOM 819 N GLU A 54 -6.108 23.935 15.142 1.00 1.90 N ATOM 820 CA GLU A 54 -6.209 24.990 16.150 1.00 2.09 C ATOM 821 C GLU A 54 -5.022 25.971 15.976 1.00 2.22 C ATOM 822 O GLU A 54 -4.478 26.501 16.937 1.00 2.47 O ATOM 823 CB GLU A 54 -6.206 24.285 17.523 1.00 2.10 C ATOM 824 CG GLU A 54 -6.495 25.206 18.712 1.00 2.64 C ATOM 825 CD GLU A 54 -5.369 25.247 19.750 1.00 3.06 C ATOM 826 OE1 GLU A 54 -4.644 24.243 19.951 1.00 2.99 O ATOM 827 OE2 GLU A 54 -5.169 26.313 20.373 1.00 4.13 O ATOM 0 H GLU A 54 -5.226 23.985 14.632 1.00 1.90 H new ATOM 0 HA GLU A 54 -7.119 25.583 16.054 1.00 2.09 H new ATOM 0 HB2 GLU A 54 -6.949 23.487 17.509 1.00 2.10 H new ATOM 0 HB3 GLU A 54 -5.235 23.814 17.673 1.00 2.10 H new ATOM 0 HG2 GLU A 54 -6.673 26.216 18.343 1.00 2.64 H new ATOM 0 HG3 GLU A 54 -7.414 24.878 19.199 1.00 2.64 H new ATOM 834 N GLY A 55 -4.460 26.075 14.760 1.00 2.12 N ATOM 835 CA GLY A 55 -3.100 26.606 14.539 1.00 2.13 C ATOM 836 C GLY A 55 -1.994 25.622 14.944 1.00 2.00 C ATOM 837 O GLY A 55 -0.869 25.701 14.459 1.00 2.17 O ATOM 0 H GLY A 55 -4.934 25.794 13.901 1.00 2.12 H new ATOM 0 HA2 GLY A 55 -2.983 26.861 13.486 1.00 2.13 H new ATOM 0 HA3 GLY A 55 -2.981 27.530 15.105 1.00 2.13 H new ATOM 841 N LYS A 56 -2.315 24.654 15.802 1.00 1.86 N ATOM 842 CA LYS A 56 -1.445 23.558 16.211 1.00 1.86 C ATOM 843 C LYS A 56 -1.477 22.444 15.155 1.00 1.73 C ATOM 844 O LYS A 56 -2.547 22.080 14.653 1.00 1.62 O ATOM 845 CB LYS A 56 -1.894 23.051 17.591 1.00 2.02 C ATOM 846 CG LYS A 56 -1.396 23.889 18.783 1.00 2.31 C ATOM 847 CD LYS A 56 -1.777 25.378 18.773 1.00 3.87 C ATOM 848 CE LYS A 56 -1.556 26.014 20.153 1.00 4.08 C ATOM 849 NZ LYS A 56 -2.678 25.697 21.064 1.00 4.01 N ATOM 0 H LYS A 56 -3.231 24.613 16.250 1.00 1.86 H new ATOM 0 HA LYS A 56 -0.414 23.902 16.291 1.00 1.86 H new ATOM 0 HB2 LYS A 56 -2.983 23.023 17.615 1.00 2.02 H new ATOM 0 HB3 LYS A 56 -1.546 22.026 17.716 1.00 2.02 H new ATOM 0 HG2 LYS A 56 -1.781 23.443 19.700 1.00 2.31 H new ATOM 0 HG3 LYS A 56 -0.309 23.814 18.824 1.00 2.31 H new ATOM 0 HD2 LYS A 56 -1.181 25.904 18.027 1.00 3.87 H new ATOM 0 HD3 LYS A 56 -2.822 25.487 18.482 1.00 3.87 H new ATOM 0 HE2 LYS A 56 -0.621 25.651 20.580 1.00 4.08 H new ATOM 0 HE3 LYS A 56 -1.460 27.095 20.049 1.00 4.08 H new ATOM 0 HZ1 LYS A 56 -2.334 25.681 22.045 1.00 4.01 H new ATOM 0 HZ2 LYS A 56 -3.418 26.421 20.968 1.00 4.01 H new ATOM 0 HZ3 LYS A 56 -3.071 24.766 20.820 1.00 4.01 H new ATOM 863 N LYS A 57 -0.298 21.920 14.810 1.00 1.80 N ATOM 864 CA LYS A 57 -0.123 20.871 13.796 1.00 1.70 C ATOM 865 C LYS A 57 -0.536 19.488 14.326 1.00 1.68 C ATOM 866 O LYS A 57 -0.217 19.145 15.461 1.00 1.97 O ATOM 867 CB LYS A 57 1.332 20.887 13.284 1.00 1.83 C ATOM 868 CG LYS A 57 1.365 21.907 12.145 1.00 3.02 C ATOM 869 CD LYS A 57 2.741 22.415 11.716 1.00 3.17 C ATOM 870 CE LYS A 57 2.485 23.743 10.993 1.00 3.97 C ATOM 871 NZ LYS A 57 1.812 23.587 9.679 1.00 4.53 N ATOM 0 H LYS A 57 0.580 22.217 15.235 1.00 1.80 H new ATOM 0 HA LYS A 57 -0.786 21.080 12.957 1.00 1.70 H new ATOM 0 HB2 LYS A 57 2.023 21.167 14.079 1.00 1.83 H new ATOM 0 HB3 LYS A 57 1.633 19.900 12.933 1.00 1.83 H new ATOM 0 HG2 LYS A 57 0.881 21.462 11.276 1.00 3.02 H new ATOM 0 HG3 LYS A 57 0.762 22.766 12.440 1.00 3.02 H new ATOM 0 HD2 LYS A 57 3.392 22.558 12.578 1.00 3.17 H new ATOM 0 HD3 LYS A 57 3.235 21.700 11.058 1.00 3.17 H new ATOM 0 HE2 LYS A 57 1.874 24.382 11.631 1.00 3.97 H new ATOM 0 HE3 LYS A 57 3.436 24.256 10.846 1.00 3.97 H new ATOM 0 HZ1 LYS A 57 1.154 24.379 9.530 1.00 4.53 H new ATOM 0 HZ2 LYS A 57 2.525 23.582 8.922 1.00 4.53 H new ATOM 0 HZ3 LYS A 57 1.284 22.691 9.663 1.00 4.53 H new ATOM 885 N VAL A 58 -1.219 18.714 13.488 1.00 1.48 N ATOM 886 CA VAL A 58 -1.684 17.338 13.720 1.00 1.45 C ATOM 887 C VAL A 58 -1.360 16.486 12.483 1.00 1.28 C ATOM 888 O VAL A 58 -1.316 17.007 11.367 1.00 1.29 O ATOM 889 CB VAL A 58 -3.202 17.323 14.028 1.00 1.59 C ATOM 890 CG1 VAL A 58 -3.785 15.907 14.189 1.00 1.77 C ATOM 891 CG2 VAL A 58 -3.507 18.113 15.310 1.00 1.90 C ATOM 0 H VAL A 58 -1.484 19.049 12.562 1.00 1.48 H new ATOM 0 HA VAL A 58 -1.171 16.918 14.585 1.00 1.45 H new ATOM 0 HB VAL A 58 -3.674 17.786 13.161 1.00 1.59 H new ATOM 0 HG11 VAL A 58 -4.852 15.975 14.403 1.00 1.77 H new ATOM 0 HG12 VAL A 58 -3.635 15.345 13.267 1.00 1.77 H new ATOM 0 HG13 VAL A 58 -3.282 15.398 15.011 1.00 1.77 H new ATOM 0 HG21 VAL A 58 -4.579 18.089 15.506 1.00 1.90 H new ATOM 0 HG22 VAL A 58 -2.974 17.665 16.149 1.00 1.90 H new ATOM 0 HG23 VAL A 58 -3.184 19.147 15.186 1.00 1.90 H new ATOM 901 N MET A 59 -1.132 15.184 12.685 1.00 1.27 N ATOM 902 CA MET A 59 -0.899 14.167 11.653 1.00 1.14 C ATOM 903 C MET A 59 -1.930 13.037 11.804 1.00 0.92 C ATOM 904 O MET A 59 -2.277 12.681 12.926 1.00 1.10 O ATOM 905 CB MET A 59 0.529 13.624 11.834 1.00 1.42 C ATOM 906 CG MET A 59 0.988 12.656 10.732 1.00 2.10 C ATOM 907 SD MET A 59 1.824 11.175 11.351 1.00 3.25 S ATOM 908 CE MET A 59 0.379 10.265 11.962 1.00 5.11 C ATOM 0 H MET A 59 -1.103 14.789 13.625 1.00 1.27 H new ATOM 0 HA MET A 59 -1.006 14.595 10.656 1.00 1.14 H new ATOM 0 HB2 MET A 59 1.222 14.465 11.873 1.00 1.42 H new ATOM 0 HB3 MET A 59 0.591 13.115 12.796 1.00 1.42 H new ATOM 0 HG2 MET A 59 0.121 12.352 10.146 1.00 2.10 H new ATOM 0 HG3 MET A 59 1.661 13.184 10.056 1.00 2.10 H new ATOM 0 HE1 MET A 59 0.701 9.313 12.385 1.00 5.11 H new ATOM 0 HE2 MET A 59 -0.123 10.853 12.731 1.00 5.11 H new ATOM 0 HE3 MET A 59 -0.310 10.081 11.138 1.00 5.11 H new ATOM 918 N GLY A 60 -2.400 12.444 10.701 1.00 0.83 N ATOM 919 CA GLY A 60 -3.279 11.268 10.734 1.00 0.97 C ATOM 920 C GLY A 60 -3.201 10.424 9.469 1.00 0.91 C ATOM 921 O GLY A 60 -2.727 10.893 8.440 1.00 1.04 O ATOM 0 H GLY A 60 -2.182 12.766 9.758 1.00 0.83 H new ATOM 0 HA2 GLY A 60 -3.016 10.650 11.592 1.00 0.97 H new ATOM 0 HA3 GLY A 60 -4.308 11.596 10.881 1.00 0.97 H new ATOM 925 N MET A 61 -3.692 9.186 9.529 1.00 1.13 N ATOM 926 CA MET A 61 -3.863 8.303 8.363 1.00 1.06 C ATOM 927 C MET A 61 -5.287 8.398 7.796 1.00 1.06 C ATOM 928 O MET A 61 -6.199 8.873 8.478 1.00 1.08 O ATOM 929 CB MET A 61 -3.511 6.846 8.711 1.00 1.15 C ATOM 930 CG MET A 61 -2.004 6.642 8.906 1.00 1.29 C ATOM 931 SD MET A 61 -1.297 7.209 10.475 1.00 1.85 S ATOM 932 CE MET A 61 0.415 6.710 10.164 1.00 1.92 C ATOM 0 H MET A 61 -3.989 8.755 10.405 1.00 1.13 H new ATOM 0 HA MET A 61 -3.171 8.642 7.592 1.00 1.06 H new ATOM 0 HB2 MET A 61 -4.035 6.555 9.621 1.00 1.15 H new ATOM 0 HB3 MET A 61 -3.864 6.189 7.916 1.00 1.15 H new ATOM 0 HG2 MET A 61 -1.789 5.578 8.802 1.00 1.29 H new ATOM 0 HG3 MET A 61 -1.485 7.153 8.095 1.00 1.29 H new ATOM 0 HE1 MET A 61 1.032 6.972 11.023 1.00 1.92 H new ATOM 0 HE2 MET A 61 0.456 5.633 10.003 1.00 1.92 H new ATOM 0 HE3 MET A 61 0.789 7.224 9.278 1.00 1.92 H new ATOM 942 N ARG A 62 -5.472 7.993 6.532 1.00 1.07 N ATOM 943 CA ARG A 62 -6.711 8.250 5.775 1.00 0.94 C ATOM 944 C ARG A 62 -6.700 7.525 4.416 1.00 0.79 C ATOM 945 O ARG A 62 -5.660 7.581 3.763 1.00 0.76 O ATOM 946 CB ARG A 62 -6.815 9.766 5.523 1.00 1.21 C ATOM 947 CG ARG A 62 -8.224 10.341 5.716 1.00 1.44 C ATOM 948 CD ARG A 62 -8.266 11.838 5.351 1.00 1.68 C ATOM 949 NE ARG A 62 -7.819 12.069 3.968 1.00 2.41 N ATOM 950 CZ ARG A 62 -8.392 11.573 2.884 1.00 3.17 C ATOM 951 NH1 ARG A 62 -9.632 11.138 2.858 1.00 3.54 N ATOM 952 NH2 ARG A 62 -7.658 11.459 1.808 1.00 4.44 N ATOM 0 H ARG A 62 -4.768 7.478 6.003 1.00 1.07 H new ATOM 0 HA ARG A 62 -7.558 7.881 6.353 1.00 0.94 H new ATOM 0 HB2 ARG A 62 -6.129 10.282 6.195 1.00 1.21 H new ATOM 0 HB3 ARG A 62 -6.485 9.977 4.506 1.00 1.21 H new ATOM 0 HG2 ARG A 62 -8.932 9.792 5.096 1.00 1.44 H new ATOM 0 HG3 ARG A 62 -8.536 10.207 6.752 1.00 1.44 H new ATOM 0 HD2 ARG A 62 -9.281 12.215 5.474 1.00 1.68 H new ATOM 0 HD3 ARG A 62 -7.632 12.399 6.038 1.00 1.68 H new ATOM 0 HE ARG A 62 -6.999 12.661 3.834 1.00 2.41 H new ATOM 0 HH11 ARG A 62 -10.203 11.174 3.703 1.00 3.54 H new ATOM 0 HH12 ARG A 62 -10.024 10.765 1.993 1.00 3.54 H new ATOM 0 HH21 ARG A 62 -6.680 11.748 1.825 1.00 4.44 H new ATOM 0 HH22 ARG A 62 -8.063 11.081 0.952 1.00 4.44 H new ATOM 966 N PRO A 63 -7.805 6.933 3.918 1.00 0.75 N ATOM 967 CA PRO A 63 -7.856 6.416 2.551 1.00 0.71 C ATOM 968 C PRO A 63 -7.885 7.531 1.502 1.00 0.68 C ATOM 969 O PRO A 63 -8.470 8.592 1.724 1.00 0.70 O ATOM 970 CB PRO A 63 -9.074 5.501 2.449 1.00 0.76 C ATOM 971 CG PRO A 63 -9.925 5.861 3.658 1.00 0.85 C ATOM 972 CD PRO A 63 -9.027 6.623 4.637 1.00 0.84 C ATOM 0 HA PRO A 63 -6.946 5.855 2.338 1.00 0.71 H new ATOM 0 HB2 PRO A 63 -9.617 5.666 1.518 1.00 0.76 H new ATOM 0 HB3 PRO A 63 -8.784 4.451 2.467 1.00 0.76 H new ATOM 0 HG2 PRO A 63 -10.776 6.474 3.360 1.00 0.85 H new ATOM 0 HG3 PRO A 63 -10.328 4.963 4.126 1.00 0.85 H new ATOM 0 HD2 PRO A 63 -9.515 7.534 4.983 1.00 0.84 H new ATOM 0 HD3 PRO A 63 -8.815 6.020 5.520 1.00 0.84 H new ATOM 980 N VAL A 64 -7.281 7.258 0.342 1.00 0.66 N ATOM 981 CA VAL A 64 -7.286 8.129 -0.852 1.00 0.62 C ATOM 982 C VAL A 64 -7.816 7.363 -2.074 1.00 0.68 C ATOM 983 O VAL A 64 -7.639 6.146 -2.143 1.00 0.79 O ATOM 984 CB VAL A 64 -5.885 8.701 -1.200 1.00 0.54 C ATOM 985 CG1 VAL A 64 -5.599 9.943 -0.352 1.00 0.54 C ATOM 986 CG2 VAL A 64 -4.744 7.684 -1.047 1.00 0.59 C ATOM 0 H VAL A 64 -6.755 6.396 0.196 1.00 0.66 H new ATOM 0 HA VAL A 64 -7.939 8.967 -0.606 1.00 0.62 H new ATOM 0 HB VAL A 64 -5.918 8.965 -2.257 1.00 0.54 H new ATOM 0 HG11 VAL A 64 -4.614 10.336 -0.604 1.00 0.54 H new ATOM 0 HG12 VAL A 64 -6.355 10.702 -0.552 1.00 0.54 H new ATOM 0 HG13 VAL A 64 -5.624 9.676 0.704 1.00 0.54 H new ATOM 0 HG21 VAL A 64 -3.797 8.157 -1.308 1.00 0.59 H new ATOM 0 HG22 VAL A 64 -4.703 7.335 -0.015 1.00 0.59 H new ATOM 0 HG23 VAL A 64 -4.921 6.837 -1.710 1.00 0.59 H new ATOM 996 N PRO A 65 -8.436 8.054 -3.052 1.00 0.69 N ATOM 997 CA PRO A 65 -8.948 7.428 -4.268 1.00 0.75 C ATOM 998 C PRO A 65 -7.842 6.969 -5.232 1.00 0.58 C ATOM 999 O PRO A 65 -8.162 6.281 -6.199 1.00 0.53 O ATOM 1000 CB PRO A 65 -9.858 8.483 -4.907 1.00 0.87 C ATOM 1001 CG PRO A 65 -9.236 9.802 -4.459 1.00 0.83 C ATOM 1002 CD PRO A 65 -8.735 9.481 -3.053 1.00 0.74 C ATOM 0 HA PRO A 65 -9.483 6.509 -4.031 1.00 0.75 H new ATOM 0 HB2 PRO A 65 -9.875 8.395 -5.993 1.00 0.87 H new ATOM 0 HB3 PRO A 65 -10.888 8.387 -4.563 1.00 0.87 H new ATOM 0 HG2 PRO A 65 -8.424 10.110 -5.117 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -9.966 10.612 -4.453 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -7.848 10.066 -2.811 1.00 0.74 H new ATOM 0 HD3 PRO A 65 -9.490 9.723 -2.305 1.00 0.74 H new ATOM 1010 N PHE A 66 -6.569 7.325 -4.988 1.00 0.57 N ATOM 1011 CA PHE A 66 -5.405 6.921 -5.771 1.00 0.52 C ATOM 1012 C PHE A 66 -4.102 7.410 -5.118 1.00 0.61 C ATOM 1013 O PHE A 66 -4.085 8.395 -4.383 1.00 0.68 O ATOM 1014 CB PHE A 66 -5.491 7.424 -7.230 1.00 0.57 C ATOM 1015 CG PHE A 66 -5.590 8.933 -7.384 1.00 0.79 C ATOM 1016 CD1 PHE A 66 -4.424 9.718 -7.453 1.00 2.38 C ATOM 1017 CD2 PHE A 66 -6.851 9.556 -7.434 1.00 1.88 C ATOM 1018 CE1 PHE A 66 -4.517 11.118 -7.536 1.00 2.54 C ATOM 1019 CE2 PHE A 66 -6.947 10.958 -7.512 1.00 2.06 C ATOM 1020 CZ PHE A 66 -5.778 11.738 -7.553 1.00 1.45 C ATOM 0 H PHE A 66 -6.320 7.928 -4.204 1.00 0.57 H new ATOM 0 HA PHE A 66 -5.399 5.831 -5.791 1.00 0.52 H new ATOM 0 HB2 PHE A 66 -4.611 7.076 -7.771 1.00 0.57 H new ATOM 0 HB3 PHE A 66 -6.359 6.968 -7.705 1.00 0.57 H new ATOM 0 HD1 PHE A 66 -3.454 9.243 -7.442 1.00 2.38 H new ATOM 0 HD2 PHE A 66 -7.749 8.956 -7.412 1.00 1.88 H new ATOM 0 HE1 PHE A 66 -3.620 11.717 -7.587 1.00 2.54 H new ATOM 0 HE2 PHE A 66 -7.916 11.433 -7.540 1.00 2.06 H new ATOM 0 HZ PHE A 66 -5.849 12.815 -7.598 1.00 1.45 H new ATOM 1030 N LEU A 67 -3.004 6.753 -5.487 1.00 0.65 N ATOM 1031 CA LEU A 67 -1.663 7.326 -5.563 1.00 0.64 C ATOM 1032 C LEU A 67 -1.262 7.464 -7.038 1.00 0.58 C ATOM 1033 O LEU A 67 -1.941 6.931 -7.918 1.00 0.56 O ATOM 1034 CB LEU A 67 -0.671 6.406 -4.825 1.00 0.63 C ATOM 1035 CG LEU A 67 -0.212 6.940 -3.460 1.00 0.72 C ATOM 1036 CD1 LEU A 67 0.807 5.930 -2.915 1.00 1.11 C ATOM 1037 CD2 LEU A 67 0.482 8.310 -3.553 1.00 0.88 C ATOM 0 H LEU A 67 -3.026 5.768 -5.751 1.00 0.65 H new ATOM 0 HA LEU A 67 -1.648 8.309 -5.093 1.00 0.64 H new ATOM 0 HB2 LEU A 67 -1.135 5.430 -4.683 1.00 0.63 H new ATOM 0 HB3 LEU A 67 0.205 6.254 -5.456 1.00 0.63 H new ATOM 0 HG LEU A 67 -1.088 7.064 -2.823 1.00 0.72 H new ATOM 0 HD11 LEU A 67 1.166 6.264 -1.942 1.00 1.11 H new ATOM 0 HD12 LEU A 67 0.332 4.954 -2.811 1.00 1.11 H new ATOM 0 HD13 LEU A 67 1.647 5.853 -3.605 1.00 1.11 H new ATOM 0 HD21 LEU A 67 0.783 8.634 -2.557 1.00 0.88 H new ATOM 0 HD22 LEU A 67 1.363 8.229 -4.190 1.00 0.88 H new ATOM 0 HD23 LEU A 67 -0.208 9.039 -3.979 1.00 0.88 H new ATOM 1049 N GLU A 68 -0.132 8.101 -7.330 1.00 0.61 N ATOM 1050 CA GLU A 68 0.365 8.217 -8.702 1.00 0.61 C ATOM 1051 C GLU A 68 1.860 8.495 -8.761 1.00 0.64 C ATOM 1052 O GLU A 68 2.470 8.844 -7.754 1.00 0.68 O ATOM 1053 CB GLU A 68 -0.471 9.217 -9.510 1.00 0.78 C ATOM 1054 CG GLU A 68 -0.192 10.700 -9.275 1.00 1.04 C ATOM 1055 CD GLU A 68 -1.296 11.500 -9.977 1.00 1.39 C ATOM 1056 OE1 GLU A 68 -1.769 11.061 -11.051 1.00 1.54 O ATOM 1057 OE2 GLU A 68 -1.798 12.493 -9.415 1.00 2.79 O ATOM 0 H GLU A 68 0.462 8.548 -6.632 1.00 0.61 H new ATOM 0 HA GLU A 68 0.239 7.245 -9.180 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -0.321 9.007 -10.569 1.00 0.78 H new ATOM 0 HB3 GLU A 68 -1.523 9.032 -9.295 1.00 0.78 H new ATOM 0 HG2 GLU A 68 -0.179 10.922 -8.208 1.00 1.04 H new ATOM 0 HG3 GLU A 68 0.787 10.972 -9.670 1.00 1.04 H new ATOM 1064 N VAL A 69 2.448 8.275 -9.938 1.00 0.70 N ATOM 1065 CA VAL A 69 3.897 8.250 -10.140 1.00 0.75 C ATOM 1066 C VAL A 69 4.230 8.688 -11.573 1.00 0.75 C ATOM 1067 O VAL A 69 3.638 8.145 -12.512 1.00 0.72 O ATOM 1068 CB VAL A 69 4.492 6.828 -9.905 1.00 0.81 C ATOM 1069 CG1 VAL A 69 6.020 6.885 -9.742 1.00 0.91 C ATOM 1070 CG2 VAL A 69 3.925 6.087 -8.684 1.00 0.86 C ATOM 0 H VAL A 69 1.920 8.106 -10.794 1.00 0.70 H new ATOM 0 HA VAL A 69 4.337 8.935 -9.415 1.00 0.75 H new ATOM 0 HB VAL A 69 4.203 6.273 -10.797 1.00 0.81 H new ATOM 0 HG11 VAL A 69 6.406 5.879 -9.580 1.00 0.91 H new ATOM 0 HG12 VAL A 69 6.467 7.304 -10.644 1.00 0.91 H new ATOM 0 HG13 VAL A 69 6.272 7.513 -8.887 1.00 0.91 H new ATOM 0 HG21 VAL A 69 4.397 5.108 -8.601 1.00 0.86 H new ATOM 0 HG22 VAL A 69 4.126 6.665 -7.782 1.00 0.86 H new ATOM 0 HG23 VAL A 69 2.849 5.962 -8.802 1.00 0.86 H new ATOM 1080 N PRO A 70 5.178 9.619 -11.786 1.00 0.83 N ATOM 1081 CA PRO A 70 5.617 9.990 -13.123 1.00 0.85 C ATOM 1082 C PRO A 70 6.455 8.869 -13.768 1.00 0.84 C ATOM 1083 O PRO A 70 6.923 7.967 -13.069 1.00 0.87 O ATOM 1084 CB PRO A 70 6.419 11.280 -12.941 1.00 0.99 C ATOM 1085 CG PRO A 70 6.994 11.143 -11.533 1.00 1.05 C ATOM 1086 CD PRO A 70 5.899 10.387 -10.779 1.00 0.93 C ATOM 0 HA PRO A 70 4.777 10.142 -13.801 1.00 0.85 H new ATOM 0 HB2 PRO A 70 7.206 11.373 -13.689 1.00 0.99 H new ATOM 0 HB3 PRO A 70 5.786 12.163 -13.033 1.00 0.99 H new ATOM 0 HG2 PRO A 70 7.935 10.593 -11.534 1.00 1.05 H new ATOM 0 HG3 PRO A 70 7.194 12.116 -11.084 1.00 1.05 H new ATOM 0 HD2 PRO A 70 6.328 9.732 -10.021 1.00 0.93 H new ATOM 0 HD3 PRO A 70 5.232 11.078 -10.263 1.00 0.93 H new ATOM 1094 N PRO A 71 6.666 8.914 -15.096 1.00 0.84 N ATOM 1095 CA PRO A 71 7.541 7.985 -15.799 1.00 0.82 C ATOM 1096 C PRO A 71 8.977 8.113 -15.295 1.00 0.91 C ATOM 1097 O PRO A 71 9.482 9.219 -15.119 1.00 1.05 O ATOM 1098 CB PRO A 71 7.375 8.299 -17.287 1.00 0.86 C ATOM 1099 CG PRO A 71 6.854 9.733 -17.323 1.00 0.91 C ATOM 1100 CD PRO A 71 6.095 9.883 -16.013 1.00 0.88 C ATOM 0 HA PRO A 71 7.281 6.942 -15.619 1.00 0.82 H new ATOM 0 HB2 PRO A 71 8.322 8.208 -17.819 1.00 0.86 H new ATOM 0 HB3 PRO A 71 6.675 7.611 -17.761 1.00 0.86 H new ATOM 0 HG2 PRO A 71 7.670 10.452 -17.396 1.00 0.91 H new ATOM 0 HG3 PRO A 71 6.204 9.900 -18.182 1.00 0.91 H new ATOM 0 HD2 PRO A 71 6.194 10.895 -15.620 1.00 0.88 H new ATOM 0 HD3 PRO A 71 5.030 9.700 -16.158 1.00 0.88 H new ATOM 1108 N LYS A 72 9.605 6.961 -15.016 1.00 0.94 N ATOM 1109 CA LYS A 72 10.954 6.789 -14.432 1.00 1.06 C ATOM 1110 C LYS A 72 11.036 7.157 -12.935 1.00 1.21 C ATOM 1111 O LYS A 72 12.096 7.085 -12.315 1.00 1.37 O ATOM 1112 CB LYS A 72 12.024 7.529 -15.253 1.00 1.07 C ATOM 1113 CG LYS A 72 11.833 7.501 -16.775 1.00 1.34 C ATOM 1114 CD LYS A 72 11.618 6.112 -17.400 1.00 1.22 C ATOM 1115 CE LYS A 72 11.451 6.263 -18.918 1.00 1.46 C ATOM 1116 NZ LYS A 72 10.605 5.189 -19.484 1.00 1.70 N ATOM 0 H LYS A 72 9.159 6.063 -15.203 1.00 0.94 H new ATOM 0 HA LYS A 72 11.162 5.720 -14.485 1.00 1.06 H new ATOM 0 HB2 LYS A 72 12.050 8.569 -14.928 1.00 1.07 H new ATOM 0 HB3 LYS A 72 12.997 7.098 -15.020 1.00 1.07 H new ATOM 0 HG2 LYS A 72 10.977 8.127 -17.026 1.00 1.34 H new ATOM 0 HG3 LYS A 72 12.708 7.956 -17.240 1.00 1.34 H new ATOM 0 HD2 LYS A 72 12.466 5.465 -17.178 1.00 1.22 H new ATOM 0 HD3 LYS A 72 10.735 5.639 -16.970 1.00 1.22 H new ATOM 0 HE2 LYS A 72 11.006 7.233 -19.141 1.00 1.46 H new ATOM 0 HE3 LYS A 72 12.431 6.245 -19.396 1.00 1.46 H new ATOM 0 HZ1 LYS A 72 10.942 4.948 -20.438 1.00 1.70 H new ATOM 0 HZ2 LYS A 72 10.659 4.347 -18.875 1.00 1.70 H new ATOM 0 HZ3 LYS A 72 9.619 5.515 -19.537 1.00 1.70 H new ATOM 1130 N GLY A 73 9.904 7.568 -12.366 1.00 1.22 N ATOM 1131 CA GLY A 73 9.723 7.940 -10.984 1.00 1.32 C ATOM 1132 C GLY A 73 9.481 6.720 -10.120 1.00 1.26 C ATOM 1133 O GLY A 73 9.003 5.677 -10.558 1.00 1.10 O ATOM 0 H GLY A 73 9.040 7.652 -12.902 1.00 1.22 H new ATOM 0 HA2 GLY A 73 10.605 8.472 -10.629 1.00 1.32 H new ATOM 0 HA3 GLY A 73 8.880 8.625 -10.896 1.00 1.32 H new ATOM 1137 N ARG A 74 9.780 6.942 -8.854 1.00 1.74 N ATOM 1138 CA ARG A 74 9.649 6.009 -7.734 1.00 1.66 C ATOM 1139 C ARG A 74 8.963 6.687 -6.555 1.00 1.67 C ATOM 1140 O ARG A 74 9.195 7.860 -6.277 1.00 1.93 O ATOM 1141 CB ARG A 74 11.051 5.478 -7.358 1.00 1.93 C ATOM 1142 CG ARG A 74 11.129 4.589 -6.097 1.00 1.94 C ATOM 1143 CD ARG A 74 12.525 3.959 -5.989 1.00 1.94 C ATOM 1144 NE ARG A 74 12.743 3.239 -4.718 1.00 2.77 N ATOM 1145 CZ ARG A 74 13.391 2.092 -4.570 1.00 3.03 C ATOM 1146 NH1 ARG A 74 13.763 1.337 -5.578 1.00 2.75 N ATOM 1147 NH2 ARG A 74 13.666 1.693 -3.352 1.00 4.42 N ATOM 0 H ARG A 74 10.149 7.844 -8.552 1.00 1.74 H new ATOM 0 HA ARG A 74 9.024 5.164 -8.022 1.00 1.66 H new ATOM 0 HB2 ARG A 74 11.440 4.909 -8.203 1.00 1.93 H new ATOM 0 HB3 ARG A 74 11.714 6.332 -7.217 1.00 1.93 H new ATOM 0 HG2 ARG A 74 10.919 5.184 -5.208 1.00 1.94 H new ATOM 0 HG3 ARG A 74 10.370 3.808 -6.144 1.00 1.94 H new ATOM 0 HD2 ARG A 74 12.670 3.268 -6.820 1.00 1.94 H new ATOM 0 HD3 ARG A 74 13.278 4.741 -6.090 1.00 1.94 H new ATOM 0 HE ARG A 74 12.359 3.664 -3.874 1.00 2.77 H new ATOM 0 HH11 ARG A 74 13.555 1.624 -6.534 1.00 2.75 H new ATOM 0 HH12 ARG A 74 14.260 0.463 -5.405 1.00 2.75 H new ATOM 0 HH21 ARG A 74 13.382 2.260 -2.553 1.00 4.42 H new ATOM 0 HH22 ARG A 74 14.163 0.815 -3.203 1.00 4.42 H new ATOM 1161 N VAL A 75 8.156 5.907 -5.846 1.00 1.45 N ATOM 1162 CA VAL A 75 7.569 6.213 -4.536 1.00 1.36 C ATOM 1163 C VAL A 75 7.649 4.962 -3.656 1.00 1.10 C ATOM 1164 O VAL A 75 7.878 3.858 -4.145 1.00 1.19 O ATOM 1165 CB VAL A 75 6.108 6.713 -4.638 1.00 1.50 C ATOM 1166 CG1 VAL A 75 6.015 8.057 -5.376 1.00 1.83 C ATOM 1167 CG2 VAL A 75 5.190 5.683 -5.313 1.00 1.46 C ATOM 0 H VAL A 75 7.874 4.988 -6.186 1.00 1.45 H new ATOM 0 HA VAL A 75 8.140 7.028 -4.091 1.00 1.36 H new ATOM 0 HB VAL A 75 5.765 6.855 -3.613 1.00 1.50 H new ATOM 0 HG11 VAL A 75 4.973 8.373 -5.426 1.00 1.83 H new ATOM 0 HG12 VAL A 75 6.596 8.807 -4.840 1.00 1.83 H new ATOM 0 HG13 VAL A 75 6.409 7.946 -6.386 1.00 1.83 H new ATOM 0 HG21 VAL A 75 4.175 6.077 -5.362 1.00 1.46 H new ATOM 0 HG22 VAL A 75 5.550 5.480 -6.322 1.00 1.46 H new ATOM 0 HG23 VAL A 75 5.192 4.759 -4.735 1.00 1.46 H new ATOM 1177 N GLU A 76 7.474 5.126 -2.349 1.00 1.15 N ATOM 1178 CA GLU A 76 7.622 4.043 -1.381 1.00 0.97 C ATOM 1179 C GLU A 76 6.510 4.155 -0.338 1.00 0.96 C ATOM 1180 O GLU A 76 6.454 5.120 0.430 1.00 1.14 O ATOM 1181 CB GLU A 76 9.013 4.124 -0.736 1.00 1.22 C ATOM 1182 CG GLU A 76 10.161 3.716 -1.676 1.00 1.94 C ATOM 1183 CD GLU A 76 11.549 4.050 -1.127 1.00 2.36 C ATOM 1184 OE1 GLU A 76 11.638 4.723 -0.068 1.00 2.78 O ATOM 1185 OE2 GLU A 76 12.519 3.673 -1.818 1.00 3.19 O ATOM 0 H GLU A 76 7.224 6.021 -1.928 1.00 1.15 H new ATOM 0 HA GLU A 76 7.536 3.074 -1.872 1.00 0.97 H new ATOM 0 HB2 GLU A 76 9.184 5.144 -0.391 1.00 1.22 H new ATOM 0 HB3 GLU A 76 9.032 3.482 0.145 1.00 1.22 H new ATOM 0 HG2 GLU A 76 10.102 2.644 -1.864 1.00 1.94 H new ATOM 0 HG3 GLU A 76 10.029 4.216 -2.636 1.00 1.94 H new ATOM 1192 N LEU A 77 5.632 3.152 -0.318 1.00 0.87 N ATOM 1193 CA LEU A 77 4.564 2.981 0.652 1.00 0.86 C ATOM 1194 C LEU A 77 5.178 2.563 1.994 1.00 0.95 C ATOM 1195 O LEU A 77 5.406 1.387 2.266 1.00 1.20 O ATOM 1196 CB LEU A 77 3.503 1.984 0.130 1.00 0.81 C ATOM 1197 CG LEU A 77 2.519 2.563 -0.914 1.00 0.78 C ATOM 1198 CD1 LEU A 77 3.160 2.796 -2.293 1.00 0.81 C ATOM 1199 CD2 LEU A 77 1.310 1.627 -1.058 1.00 0.82 C ATOM 0 H LEU A 77 5.652 2.405 -1.012 1.00 0.87 H new ATOM 0 HA LEU A 77 4.035 3.922 0.805 1.00 0.86 H new ATOM 0 HB2 LEU A 77 4.016 1.129 -0.311 1.00 0.81 H new ATOM 0 HB3 LEU A 77 2.930 1.609 0.978 1.00 0.81 H new ATOM 0 HG LEU A 77 2.207 3.540 -0.544 1.00 0.78 H new ATOM 0 HD11 LEU A 77 2.415 3.203 -2.977 1.00 0.81 H new ATOM 0 HD12 LEU A 77 3.986 3.500 -2.196 1.00 0.81 H new ATOM 0 HD13 LEU A 77 3.534 1.850 -2.685 1.00 0.81 H new ATOM 0 HD21 LEU A 77 0.618 2.037 -1.794 1.00 0.82 H new ATOM 0 HD22 LEU A 77 1.648 0.644 -1.386 1.00 0.82 H new ATOM 0 HD23 LEU A 77 0.805 1.535 -0.097 1.00 0.82 H new ATOM 1211 N LYS A 78 5.481 3.572 2.811 1.00 1.04 N ATOM 1212 CA LYS A 78 5.996 3.488 4.179 1.00 1.11 C ATOM 1213 C LYS A 78 4.940 3.944 5.221 1.00 0.99 C ATOM 1214 O LYS A 78 4.112 4.791 4.880 1.00 0.97 O ATOM 1215 CB LYS A 78 7.306 4.302 4.218 1.00 1.33 C ATOM 1216 CG LYS A 78 7.201 5.785 3.777 1.00 1.39 C ATOM 1217 CD LYS A 78 8.588 6.384 3.476 1.00 1.80 C ATOM 1218 CE LYS A 78 9.201 5.751 2.211 1.00 2.29 C ATOM 1219 NZ LYS A 78 10.550 6.272 1.871 1.00 3.12 N ATOM 0 H LYS A 78 5.365 4.540 2.513 1.00 1.04 H new ATOM 0 HA LYS A 78 6.211 2.456 4.458 1.00 1.11 H new ATOM 0 HB2 LYS A 78 7.698 4.273 5.235 1.00 1.33 H new ATOM 0 HB3 LYS A 78 8.038 3.805 3.581 1.00 1.33 H new ATOM 0 HG2 LYS A 78 6.572 5.858 2.890 1.00 1.39 H new ATOM 0 HG3 LYS A 78 6.715 6.365 4.561 1.00 1.39 H new ATOM 0 HD2 LYS A 78 8.501 7.462 3.342 1.00 1.80 H new ATOM 0 HD3 LYS A 78 9.251 6.221 4.326 1.00 1.80 H new ATOM 0 HE2 LYS A 78 9.264 4.672 2.350 1.00 2.29 H new ATOM 0 HE3 LYS A 78 8.532 5.925 1.368 1.00 2.29 H new ATOM 0 HZ1 LYS A 78 11.029 5.605 1.232 1.00 3.12 H new ATOM 0 HZ2 LYS A 78 10.457 7.195 1.401 1.00 3.12 H new ATOM 0 HZ3 LYS A 78 11.110 6.381 2.741 1.00 3.12 H new ATOM 1233 N PRO A 79 4.961 3.426 6.474 1.00 0.98 N ATOM 1234 CA PRO A 79 3.885 3.603 7.462 1.00 0.93 C ATOM 1235 C PRO A 79 3.493 5.064 7.699 1.00 0.87 C ATOM 1236 O PRO A 79 2.328 5.402 7.507 1.00 0.87 O ATOM 1237 CB PRO A 79 4.353 2.902 8.749 1.00 0.99 C ATOM 1238 CG PRO A 79 5.843 2.643 8.535 1.00 1.06 C ATOM 1239 CD PRO A 79 5.968 2.523 7.019 1.00 1.06 C ATOM 0 HA PRO A 79 2.965 3.157 7.084 1.00 0.93 H new ATOM 0 HB2 PRO A 79 4.183 3.528 9.625 1.00 0.99 H new ATOM 0 HB3 PRO A 79 3.810 1.971 8.912 1.00 0.99 H new ATOM 0 HG2 PRO A 79 6.452 3.458 8.925 1.00 1.06 H new ATOM 0 HG3 PRO A 79 6.169 1.733 9.038 1.00 1.06 H new ATOM 0 HD2 PRO A 79 6.967 2.801 6.684 1.00 1.06 H new ATOM 0 HD3 PRO A 79 5.795 1.498 6.691 1.00 1.06 H new ATOM 1247 N GLY A 80 4.450 5.940 8.030 1.00 1.03 N ATOM 1248 CA GLY A 80 4.253 7.389 7.956 1.00 1.03 C ATOM 1249 C GLY A 80 4.519 7.838 6.526 1.00 0.99 C ATOM 1250 O GLY A 80 5.673 8.049 6.158 1.00 1.29 O ATOM 0 H GLY A 80 5.377 5.664 8.355 1.00 1.03 H new ATOM 0 HA2 GLY A 80 3.237 7.649 8.252 1.00 1.03 H new ATOM 0 HA3 GLY A 80 4.926 7.899 8.645 1.00 1.03 H new ATOM 1254 N GLY A 81 3.464 7.919 5.715 1.00 0.86 N ATOM 1255 CA GLY A 81 3.533 8.201 4.281 1.00 0.84 C ATOM 1256 C GLY A 81 2.338 7.648 3.515 1.00 0.75 C ATOM 1257 O GLY A 81 1.390 8.376 3.260 1.00 0.80 O ATOM 0 H GLY A 81 2.509 7.786 6.048 1.00 0.86 H new ATOM 0 HA2 GLY A 81 3.589 9.279 4.129 1.00 0.84 H new ATOM 0 HA3 GLY A 81 4.449 7.773 3.874 1.00 0.84 H new ATOM 1261 N TYR A 82 2.393 6.374 3.121 1.00 0.74 N ATOM 1262 CA TYR A 82 1.409 5.672 2.274 1.00 0.73 C ATOM 1263 C TYR A 82 1.478 4.166 2.527 1.00 0.76 C ATOM 1264 O TYR A 82 2.554 3.635 2.775 1.00 0.83 O ATOM 1265 CB TYR A 82 1.660 5.950 0.787 1.00 0.77 C ATOM 1266 CG TYR A 82 1.758 7.412 0.431 1.00 0.80 C ATOM 1267 CD1 TYR A 82 0.593 8.181 0.244 1.00 1.66 C ATOM 1268 CD2 TYR A 82 3.029 8.014 0.383 1.00 2.41 C ATOM 1269 CE1 TYR A 82 0.695 9.569 0.037 1.00 1.66 C ATOM 1270 CE2 TYR A 82 3.143 9.397 0.181 1.00 2.47 C ATOM 1271 CZ TYR A 82 1.976 10.179 -0.007 1.00 0.95 C ATOM 1272 OH TYR A 82 2.095 11.515 -0.237 1.00 1.04 O ATOM 0 H TYR A 82 3.164 5.766 3.396 1.00 0.74 H new ATOM 0 HA TYR A 82 0.418 6.044 2.535 1.00 0.73 H new ATOM 0 HB2 TYR A 82 2.584 5.454 0.489 1.00 0.77 H new ATOM 0 HB3 TYR A 82 0.855 5.501 0.206 1.00 0.77 H new ATOM 0 HD1 TYR A 82 -0.377 7.706 0.259 1.00 1.66 H new ATOM 0 HD2 TYR A 82 3.917 7.411 0.502 1.00 2.41 H new ATOM 0 HE1 TYR A 82 -0.196 10.167 -0.088 1.00 1.66 H new ATOM 0 HE2 TYR A 82 4.116 9.865 0.169 1.00 2.47 H new ATOM 0 HH TYR A 82 3.043 11.765 -0.233 1.00 1.04 H new ATOM 1282 N HIS A 83 0.360 3.458 2.457 1.00 0.76 N ATOM 1283 CA HIS A 83 0.274 2.025 2.759 1.00 0.78 C ATOM 1284 C HIS A 83 -1.133 1.535 2.426 1.00 0.72 C ATOM 1285 O HIS A 83 -2.067 2.335 2.402 1.00 0.81 O ATOM 1286 CB HIS A 83 0.661 1.739 4.225 1.00 0.91 C ATOM 1287 CG HIS A 83 -0.006 2.628 5.242 1.00 1.04 C ATOM 1288 ND1 HIS A 83 0.457 3.843 5.704 1.00 1.36 N ATOM 1289 CD2 HIS A 83 -1.193 2.383 5.874 1.00 0.98 C ATOM 1290 CE1 HIS A 83 -0.439 4.319 6.575 1.00 1.46 C ATOM 1291 NE2 HIS A 83 -1.455 3.452 6.733 1.00 1.26 N ATOM 0 H HIS A 83 -0.534 3.866 2.184 1.00 0.76 H new ATOM 0 HA HIS A 83 0.988 1.476 2.145 1.00 0.78 H new ATOM 0 HB2 HIS A 83 0.416 0.702 4.454 1.00 0.91 H new ATOM 0 HB3 HIS A 83 1.741 1.842 4.327 1.00 0.91 H new ATOM 0 HD2 HIS A 83 -1.819 1.514 5.733 1.00 0.98 H new ATOM 0 HE1 HIS A 83 -0.358 5.269 7.082 1.00 1.46 H new ATOM 0 HE2 HIS A 83 -2.256 3.555 7.356 1.00 1.26 H new ATOM 1299 N PHE A 84 -1.310 0.235 2.186 1.00 0.69 N ATOM 1300 CA PHE A 84 -2.664 -0.315 2.122 1.00 0.62 C ATOM 1301 C PHE A 84 -3.144 -0.677 3.524 1.00 0.66 C ATOM 1302 O PHE A 84 -2.379 -1.250 4.298 1.00 0.85 O ATOM 1303 CB PHE A 84 -2.753 -1.521 1.187 1.00 0.60 C ATOM 1304 CG PHE A 84 -2.425 -1.222 -0.263 1.00 0.60 C ATOM 1305 CD1 PHE A 84 -3.433 -0.740 -1.121 1.00 1.62 C ATOM 1306 CD2 PHE A 84 -1.125 -1.426 -0.764 1.00 1.92 C ATOM 1307 CE1 PHE A 84 -3.161 -0.538 -2.482 1.00 1.56 C ATOM 1308 CE2 PHE A 84 -0.841 -1.179 -2.120 1.00 2.01 C ATOM 1309 CZ PHE A 84 -1.862 -0.741 -2.979 1.00 0.72 C ATOM 0 H PHE A 84 -0.559 -0.439 2.037 1.00 0.69 H new ATOM 0 HA PHE A 84 -3.317 0.453 1.707 1.00 0.62 H new ATOM 0 HB2 PHE A 84 -2.074 -2.294 1.547 1.00 0.60 H new ATOM 0 HB3 PHE A 84 -3.761 -1.932 1.240 1.00 0.60 H new ATOM 0 HD1 PHE A 84 -4.417 -0.526 -0.730 1.00 1.62 H new ATOM 0 HD2 PHE A 84 -0.343 -1.773 -0.105 1.00 1.92 H new ATOM 0 HE1 PHE A 84 -3.951 -0.226 -3.149 1.00 1.56 H new ATOM 0 HE2 PHE A 84 0.160 -1.326 -2.499 1.00 2.01 H new ATOM 0 HZ PHE A 84 -1.649 -0.560 -4.022 1.00 0.72 H new ATOM 1319 N MET A 85 -4.410 -0.385 3.812 1.00 0.58 N ATOM 1320 CA MET A 85 -5.166 -0.982 4.911 1.00 0.59 C ATOM 1321 C MET A 85 -5.915 -2.207 4.392 1.00 0.54 C ATOM 1322 O MET A 85 -6.752 -2.120 3.488 1.00 0.56 O ATOM 1323 CB MET A 85 -6.119 0.049 5.531 1.00 0.69 C ATOM 1324 CG MET A 85 -5.422 0.872 6.619 1.00 0.92 C ATOM 1325 SD MET A 85 -5.033 -0.067 8.122 1.00 1.17 S ATOM 1326 CE MET A 85 -3.233 -0.133 7.992 1.00 0.98 C ATOM 0 H MET A 85 -4.953 0.291 3.274 1.00 0.58 H new ATOM 0 HA MET A 85 -4.485 -1.301 5.700 1.00 0.59 H new ATOM 0 HB2 MET A 85 -6.493 0.715 4.753 1.00 0.69 H new ATOM 0 HB3 MET A 85 -6.983 -0.462 5.956 1.00 0.69 H new ATOM 0 HG2 MET A 85 -4.499 1.285 6.212 1.00 0.92 H new ATOM 0 HG3 MET A 85 -6.058 1.716 6.885 1.00 0.92 H new ATOM 0 HE1 MET A 85 -2.866 -1.038 8.476 1.00 0.98 H new ATOM 0 HE2 MET A 85 -2.944 -0.141 6.941 1.00 0.98 H new ATOM 0 HE3 MET A 85 -2.801 0.740 8.480 1.00 0.98 H new ATOM 1336 N LEU A 86 -5.584 -3.357 4.972 1.00 0.62 N ATOM 1337 CA LEU A 86 -6.189 -4.654 4.705 1.00 0.61 C ATOM 1338 C LEU A 86 -7.191 -4.914 5.830 1.00 0.65 C ATOM 1339 O LEU A 86 -6.782 -5.007 6.986 1.00 0.86 O ATOM 1340 CB LEU A 86 -5.071 -5.717 4.672 1.00 0.69 C ATOM 1341 CG LEU A 86 -3.872 -5.410 3.745 1.00 0.82 C ATOM 1342 CD1 LEU A 86 -2.922 -6.615 3.728 1.00 1.78 C ATOM 1343 CD2 LEU A 86 -4.278 -5.057 2.307 1.00 1.06 C ATOM 0 H LEU A 86 -4.849 -3.410 5.677 1.00 0.62 H new ATOM 0 HA LEU A 86 -6.707 -4.688 3.746 1.00 0.61 H new ATOM 0 HB2 LEU A 86 -4.695 -5.852 5.686 1.00 0.69 H new ATOM 0 HB3 LEU A 86 -5.509 -6.667 4.365 1.00 0.69 H new ATOM 0 HG LEU A 86 -3.379 -4.527 4.153 1.00 0.82 H new ATOM 0 HD11 LEU A 86 -2.076 -6.402 3.075 1.00 1.78 H new ATOM 0 HD12 LEU A 86 -2.561 -6.808 4.738 1.00 1.78 H new ATOM 0 HD13 LEU A 86 -3.453 -7.492 3.358 1.00 1.78 H new ATOM 0 HD21 LEU A 86 -3.385 -4.854 1.716 1.00 1.06 H new ATOM 0 HD22 LEU A 86 -4.822 -5.893 1.867 1.00 1.06 H new ATOM 0 HD23 LEU A 86 -4.916 -4.173 2.316 1.00 1.06 H new ATOM 1355 N LEU A 87 -8.487 -4.981 5.516 1.00 0.64 N ATOM 1356 CA LEU A 87 -9.567 -5.154 6.492 1.00 0.75 C ATOM 1357 C LEU A 87 -10.172 -6.559 6.389 1.00 0.89 C ATOM 1358 O LEU A 87 -10.194 -7.184 5.321 1.00 1.29 O ATOM 1359 CB LEU A 87 -10.675 -4.095 6.284 1.00 0.74 C ATOM 1360 CG LEU A 87 -10.371 -2.613 6.593 1.00 1.12 C ATOM 1361 CD1 LEU A 87 -9.846 -2.430 8.022 1.00 1.81 C ATOM 1362 CD2 LEU A 87 -9.404 -1.966 5.597 1.00 3.10 C ATOM 0 H LEU A 87 -8.823 -4.915 4.555 1.00 0.64 H new ATOM 0 HA LEU A 87 -9.138 -5.024 7.486 1.00 0.75 H new ATOM 0 HB2 LEU A 87 -10.993 -4.154 5.243 1.00 0.74 H new ATOM 0 HB3 LEU A 87 -11.528 -4.389 6.896 1.00 0.74 H new ATOM 0 HG LEU A 87 -11.327 -2.099 6.493 1.00 1.12 H new ATOM 0 HD11 LEU A 87 -9.643 -1.374 8.203 1.00 1.81 H new ATOM 0 HD12 LEU A 87 -10.594 -2.783 8.732 1.00 1.81 H new ATOM 0 HD13 LEU A 87 -8.927 -3.003 8.148 1.00 1.81 H new ATOM 0 HD21 LEU A 87 -9.236 -0.926 5.876 1.00 3.10 H new ATOM 0 HD22 LEU A 87 -8.455 -2.503 5.610 1.00 3.10 H new ATOM 0 HD23 LEU A 87 -9.831 -2.009 4.595 1.00 3.10 H new ATOM 1374 N GLY A 88 -10.682 -7.050 7.523 1.00 0.88 N ATOM 1375 CA GLY A 88 -11.323 -8.365 7.665 1.00 1.15 C ATOM 1376 C GLY A 88 -10.295 -9.484 7.795 1.00 1.64 C ATOM 1377 O GLY A 88 -10.314 -10.219 8.777 1.00 3.69 O ATOM 0 H GLY A 88 -10.660 -6.526 8.398 1.00 0.88 H new ATOM 0 HA2 GLY A 88 -11.970 -8.361 8.542 1.00 1.15 H new ATOM 0 HA3 GLY A 88 -11.960 -8.555 6.801 1.00 1.15 H new ATOM 1381 N LEU A 89 -9.406 -9.538 6.796 1.00 0.89 N ATOM 1382 CA LEU A 89 -8.283 -10.449 6.593 1.00 0.81 C ATOM 1383 C LEU A 89 -8.762 -11.873 6.265 1.00 0.90 C ATOM 1384 O LEU A 89 -9.516 -12.494 7.008 1.00 1.09 O ATOM 1385 CB LEU A 89 -7.316 -10.391 7.786 1.00 0.80 C ATOM 1386 CG LEU A 89 -6.816 -8.990 8.199 1.00 0.76 C ATOM 1387 CD1 LEU A 89 -5.825 -9.129 9.363 1.00 0.96 C ATOM 1388 CD2 LEU A 89 -6.145 -8.252 7.031 1.00 0.89 C ATOM 0 H LEU A 89 -9.467 -8.869 6.028 1.00 0.89 H new ATOM 0 HA LEU A 89 -7.721 -10.120 5.719 1.00 0.81 H new ATOM 0 HB2 LEU A 89 -7.808 -10.845 8.646 1.00 0.80 H new ATOM 0 HB3 LEU A 89 -6.448 -11.008 7.552 1.00 0.80 H new ATOM 0 HG LEU A 89 -7.680 -8.401 8.506 1.00 0.76 H new ATOM 0 HD11 LEU A 89 -5.469 -8.142 9.658 1.00 0.96 H new ATOM 0 HD12 LEU A 89 -6.322 -9.603 10.209 1.00 0.96 H new ATOM 0 HD13 LEU A 89 -4.979 -9.741 9.050 1.00 0.96 H new ATOM 0 HD21 LEU A 89 -5.808 -7.271 7.366 1.00 0.89 H new ATOM 0 HD22 LEU A 89 -5.289 -8.829 6.680 1.00 0.89 H new ATOM 0 HD23 LEU A 89 -6.860 -8.132 6.217 1.00 0.89 H new ATOM 1400 N LYS A 90 -8.292 -12.444 5.153 1.00 0.99 N ATOM 1401 CA LYS A 90 -8.720 -13.778 4.681 1.00 1.08 C ATOM 1402 C LYS A 90 -7.999 -14.938 5.407 1.00 0.96 C ATOM 1403 O LYS A 90 -7.844 -16.026 4.852 1.00 1.36 O ATOM 1404 CB LYS A 90 -8.557 -13.842 3.150 1.00 1.36 C ATOM 1405 CG LYS A 90 -9.537 -12.908 2.432 1.00 1.14 C ATOM 1406 CD LYS A 90 -9.496 -13.049 0.899 1.00 1.81 C ATOM 1407 CE LYS A 90 -10.632 -12.294 0.192 1.00 1.76 C ATOM 1408 NZ LYS A 90 -11.967 -12.849 0.501 1.00 1.32 N ATOM 0 H LYS A 90 -7.602 -11.999 4.548 1.00 0.99 H new ATOM 0 HA LYS A 90 -9.772 -13.913 4.931 1.00 1.08 H new ATOM 0 HB2 LYS A 90 -7.536 -13.572 2.882 1.00 1.36 H new ATOM 0 HB3 LYS A 90 -8.716 -14.865 2.810 1.00 1.36 H new ATOM 0 HG2 LYS A 90 -10.548 -13.114 2.783 1.00 1.14 H new ATOM 0 HG3 LYS A 90 -9.310 -11.877 2.702 1.00 1.14 H new ATOM 0 HD2 LYS A 90 -8.539 -12.679 0.532 1.00 1.81 H new ATOM 0 HD3 LYS A 90 -9.551 -14.105 0.636 1.00 1.81 H new ATOM 0 HE2 LYS A 90 -10.603 -11.245 0.486 1.00 1.76 H new ATOM 0 HE3 LYS A 90 -10.470 -12.328 -0.885 1.00 1.76 H new ATOM 0 HZ1 LYS A 90 -12.702 -12.216 0.125 1.00 1.32 H new ATOM 0 HZ2 LYS A 90 -12.062 -13.788 0.064 1.00 1.32 H new ATOM 0 HZ3 LYS A 90 -12.077 -12.934 1.532 1.00 1.32 H new ATOM 1422 N ARG A 91 -7.491 -14.665 6.615 1.00 1.22 N ATOM 1423 CA ARG A 91 -6.490 -15.403 7.407 1.00 1.31 C ATOM 1424 C ARG A 91 -5.892 -14.464 8.469 1.00 1.30 C ATOM 1425 O ARG A 91 -5.801 -13.267 8.201 1.00 1.39 O ATOM 1426 CB ARG A 91 -5.346 -15.970 6.529 1.00 1.49 C ATOM 1427 CG ARG A 91 -4.567 -14.892 5.739 1.00 2.38 C ATOM 1428 CD ARG A 91 -4.147 -15.330 4.332 1.00 2.61 C ATOM 1429 NE ARG A 91 -3.188 -16.444 4.335 1.00 2.82 N ATOM 1430 CZ ARG A 91 -3.416 -17.709 4.019 1.00 3.13 C ATOM 1431 NH1 ARG A 91 -4.629 -18.180 3.794 1.00 3.85 N ATOM 1432 NH2 ARG A 91 -2.394 -18.525 3.920 1.00 3.89 N ATOM 0 H ARG A 91 -7.802 -13.834 7.118 1.00 1.22 H new ATOM 0 HA ARG A 91 -6.997 -16.246 7.875 1.00 1.31 H new ATOM 0 HB2 ARG A 91 -4.649 -16.514 7.166 1.00 1.49 H new ATOM 0 HB3 ARG A 91 -5.764 -16.690 5.826 1.00 1.49 H new ATOM 0 HG2 ARG A 91 -5.184 -13.997 5.660 1.00 2.38 H new ATOM 0 HG3 ARG A 91 -3.676 -14.616 6.303 1.00 2.38 H new ATOM 0 HD2 ARG A 91 -5.034 -15.624 3.770 1.00 2.61 H new ATOM 0 HD3 ARG A 91 -3.706 -14.481 3.810 1.00 2.61 H new ATOM 0 HE ARG A 91 -2.234 -16.215 4.614 1.00 2.82 H new ATOM 0 HH11 ARG A 91 -5.437 -17.561 3.861 1.00 3.85 H new ATOM 0 HH12 ARG A 91 -4.758 -19.163 3.553 1.00 3.85 H new ATOM 0 HH21 ARG A 91 -1.448 -18.180 4.085 1.00 3.89 H new ATOM 0 HH22 ARG A 91 -2.545 -19.504 3.678 1.00 3.89 H new ATOM 1446 N PRO A 92 -5.393 -14.967 9.614 1.00 1.29 N ATOM 1447 CA PRO A 92 -4.321 -14.273 10.313 1.00 1.20 C ATOM 1448 C PRO A 92 -3.093 -14.295 9.397 1.00 1.19 C ATOM 1449 O PRO A 92 -2.766 -15.341 8.837 1.00 1.35 O ATOM 1450 CB PRO A 92 -4.107 -15.049 11.611 1.00 1.32 C ATOM 1451 CG PRO A 92 -4.511 -16.479 11.240 1.00 1.41 C ATOM 1452 CD PRO A 92 -5.593 -16.297 10.172 1.00 1.40 C ATOM 0 HA PRO A 92 -4.535 -13.231 10.551 1.00 1.20 H new ATOM 0 HB2 PRO A 92 -3.070 -14.998 11.944 1.00 1.32 H new ATOM 0 HB3 PRO A 92 -4.721 -14.655 12.421 1.00 1.32 H new ATOM 0 HG2 PRO A 92 -3.663 -17.046 10.856 1.00 1.41 H new ATOM 0 HG3 PRO A 92 -4.892 -17.023 12.105 1.00 1.41 H new ATOM 0 HD2 PRO A 92 -5.509 -17.060 9.399 1.00 1.40 H new ATOM 0 HD3 PRO A 92 -6.588 -16.391 10.606 1.00 1.40 H new ATOM 1460 N LEU A 93 -2.446 -13.141 9.213 1.00 1.32 N ATOM 1461 CA LEU A 93 -1.331 -12.968 8.276 1.00 1.52 C ATOM 1462 C LEU A 93 -0.141 -13.828 8.707 1.00 1.63 C ATOM 1463 O LEU A 93 0.594 -13.501 9.636 1.00 1.82 O ATOM 1464 CB LEU A 93 -0.994 -11.463 8.157 1.00 1.50 C ATOM 1465 CG LEU A 93 -1.601 -10.737 6.934 1.00 1.56 C ATOM 1466 CD1 LEU A 93 -0.826 -11.077 5.654 1.00 1.92 C ATOM 1467 CD2 LEU A 93 -3.098 -11.020 6.728 1.00 2.11 C ATOM 0 H LEU A 93 -2.685 -12.288 9.718 1.00 1.32 H new ATOM 0 HA LEU A 93 -1.609 -13.314 7.280 1.00 1.52 H new ATOM 0 HB2 LEU A 93 -1.335 -10.960 9.062 1.00 1.50 H new ATOM 0 HB3 LEU A 93 0.090 -11.353 8.121 1.00 1.50 H new ATOM 0 HG LEU A 93 -1.508 -9.673 7.150 1.00 1.56 H new ATOM 0 HD11 LEU A 93 -1.273 -10.554 4.808 1.00 1.92 H new ATOM 0 HD12 LEU A 93 0.213 -10.767 5.765 1.00 1.92 H new ATOM 0 HD13 LEU A 93 -0.867 -12.152 5.478 1.00 1.92 H new ATOM 0 HD21 LEU A 93 -3.454 -10.477 5.852 1.00 2.11 H new ATOM 0 HD22 LEU A 93 -3.249 -12.089 6.578 1.00 2.11 H new ATOM 0 HD23 LEU A 93 -3.654 -10.695 7.607 1.00 2.11 H new ATOM 1479 N LYS A 94 0.056 -14.970 8.054 1.00 1.91 N ATOM 1480 CA LYS A 94 1.039 -15.966 8.456 1.00 2.22 C ATOM 1481 C LYS A 94 2.461 -15.438 8.182 1.00 2.03 C ATOM 1482 O LYS A 94 2.977 -15.562 7.077 1.00 2.30 O ATOM 1483 CB LYS A 94 0.634 -17.297 7.776 1.00 2.86 C ATOM 1484 CG LYS A 94 1.709 -18.366 7.541 1.00 3.09 C ATOM 1485 CD LYS A 94 2.446 -18.805 8.811 1.00 2.51 C ATOM 1486 CE LYS A 94 3.558 -19.809 8.471 1.00 3.20 C ATOM 1487 NZ LYS A 94 4.632 -19.181 7.664 1.00 4.01 N ATOM 0 H LYS A 94 -0.471 -15.231 7.220 1.00 1.91 H new ATOM 0 HA LYS A 94 1.056 -16.166 9.527 1.00 2.22 H new ATOM 0 HB2 LYS A 94 -0.154 -17.749 8.379 1.00 2.86 H new ATOM 0 HB3 LYS A 94 0.195 -17.053 6.809 1.00 2.86 H new ATOM 0 HG2 LYS A 94 1.243 -19.239 7.084 1.00 3.09 H new ATOM 0 HG3 LYS A 94 2.437 -17.982 6.826 1.00 3.09 H new ATOM 0 HD2 LYS A 94 2.874 -17.935 9.309 1.00 2.51 H new ATOM 0 HD3 LYS A 94 1.741 -19.257 9.509 1.00 2.51 H new ATOM 0 HE2 LYS A 94 3.981 -20.210 9.392 1.00 3.20 H new ATOM 0 HE3 LYS A 94 3.134 -20.650 7.922 1.00 3.20 H new ATOM 0 HZ1 LYS A 94 5.472 -19.794 7.666 1.00 4.01 H new ATOM 0 HZ2 LYS A 94 4.301 -19.051 6.687 1.00 4.01 H new ATOM 0 HZ3 LYS A 94 4.877 -18.256 8.072 1.00 4.01 H new ATOM 1501 N ALA A 95 3.127 -14.884 9.205 1.00 1.85 N ATOM 1502 CA ALA A 95 4.538 -14.485 9.149 1.00 1.67 C ATOM 1503 C ALA A 95 5.401 -15.572 8.479 1.00 1.54 C ATOM 1504 O ALA A 95 5.341 -16.743 8.868 1.00 1.70 O ATOM 1505 CB ALA A 95 5.010 -14.156 10.569 1.00 1.89 C ATOM 0 H ALA A 95 2.692 -14.698 10.109 1.00 1.85 H new ATOM 0 HA ALA A 95 4.647 -13.595 8.530 1.00 1.67 H new ATOM 0 HB1 ALA A 95 6.058 -13.857 10.544 1.00 1.89 H new ATOM 0 HB2 ALA A 95 4.410 -13.340 10.972 1.00 1.89 H new ATOM 0 HB3 ALA A 95 4.898 -15.036 11.203 1.00 1.89 H new ATOM 1511 N GLY A 96 6.144 -15.212 7.427 1.00 1.40 N ATOM 1512 CA GLY A 96 6.880 -16.175 6.601 1.00 1.43 C ATOM 1513 C GLY A 96 5.988 -17.049 5.710 1.00 1.52 C ATOM 1514 O GLY A 96 6.320 -18.211 5.492 1.00 1.97 O ATOM 0 H GLY A 96 6.252 -14.244 7.124 1.00 1.40 H new ATOM 0 HA2 GLY A 96 7.584 -15.632 5.970 1.00 1.43 H new ATOM 0 HA3 GLY A 96 7.468 -16.821 7.253 1.00 1.43 H new ATOM 1518 N GLU A 97 4.834 -16.562 5.254 1.00 1.40 N ATOM 1519 CA GLU A 97 4.402 -16.752 3.872 1.00 1.33 C ATOM 1520 C GLU A 97 4.684 -15.444 3.115 1.00 1.04 C ATOM 1521 O GLU A 97 5.299 -14.520 3.663 1.00 1.01 O ATOM 1522 CB GLU A 97 2.926 -17.203 3.797 1.00 1.76 C ATOM 1523 CG GLU A 97 1.845 -16.117 3.987 1.00 2.34 C ATOM 1524 CD GLU A 97 0.433 -16.659 4.239 1.00 2.57 C ATOM 1525 OE1 GLU A 97 0.230 -17.895 4.265 1.00 2.78 O ATOM 1526 OE2 GLU A 97 -0.490 -15.849 4.480 1.00 3.55 O ATOM 0 H GLU A 97 4.179 -16.030 5.827 1.00 1.40 H new ATOM 0 HA GLU A 97 4.960 -17.559 3.397 1.00 1.33 H new ATOM 0 HB2 GLU A 97 2.765 -17.673 2.827 1.00 1.76 H new ATOM 0 HB3 GLU A 97 2.769 -17.972 4.554 1.00 1.76 H new ATOM 0 HG2 GLU A 97 2.131 -15.481 4.825 1.00 2.34 H new ATOM 0 HG3 GLU A 97 1.824 -15.484 3.100 1.00 2.34 H new ATOM 1533 N GLU A 98 4.220 -15.338 1.875 1.00 1.10 N ATOM 1534 CA GLU A 98 4.314 -14.123 1.074 1.00 1.08 C ATOM 1535 C GLU A 98 2.968 -13.800 0.432 1.00 1.02 C ATOM 1536 O GLU A 98 2.136 -14.676 0.210 1.00 1.30 O ATOM 1537 CB GLU A 98 5.460 -14.230 0.058 1.00 1.66 C ATOM 1538 CG GLU A 98 5.314 -15.380 -0.948 1.00 2.03 C ATOM 1539 CD GLU A 98 6.533 -15.514 -1.864 1.00 2.73 C ATOM 1540 OE1 GLU A 98 7.325 -14.544 -1.952 1.00 3.59 O ATOM 1541 OE2 GLU A 98 6.669 -16.606 -2.462 1.00 3.59 O ATOM 0 H GLU A 98 3.760 -16.108 1.389 1.00 1.10 H new ATOM 0 HA GLU A 98 4.558 -13.282 1.723 1.00 1.08 H new ATOM 0 HB2 GLU A 98 5.531 -13.291 -0.491 1.00 1.66 H new ATOM 0 HB3 GLU A 98 6.398 -14.354 0.599 1.00 1.66 H new ATOM 0 HG2 GLU A 98 5.165 -16.315 -0.408 1.00 2.03 H new ATOM 0 HG3 GLU A 98 4.423 -15.217 -1.555 1.00 2.03 H new ATOM 1548 N VAL A 99 2.739 -12.513 0.199 1.00 0.90 N ATOM 1549 CA VAL A 99 1.466 -11.961 -0.253 1.00 0.85 C ATOM 1550 C VAL A 99 1.529 -11.744 -1.750 1.00 0.78 C ATOM 1551 O VAL A 99 2.246 -10.860 -2.215 1.00 0.86 O ATOM 1552 CB VAL A 99 1.156 -10.631 0.461 1.00 0.98 C ATOM 1553 CG1 VAL A 99 -0.113 -9.967 -0.100 1.00 0.93 C ATOM 1554 CG2 VAL A 99 1.024 -10.906 1.964 1.00 1.14 C ATOM 0 H VAL A 99 3.458 -11.800 0.324 1.00 0.90 H new ATOM 0 HA VAL A 99 0.669 -12.664 -0.012 1.00 0.85 H new ATOM 0 HB VAL A 99 1.972 -9.929 0.286 1.00 0.98 H new ATOM 0 HG11 VAL A 99 -0.299 -9.032 0.429 1.00 0.93 H new ATOM 0 HG12 VAL A 99 0.022 -9.763 -1.162 1.00 0.93 H new ATOM 0 HG13 VAL A 99 -0.963 -10.635 0.035 1.00 0.93 H new ATOM 0 HG21 VAL A 99 0.804 -9.975 2.486 1.00 1.14 H new ATOM 0 HG22 VAL A 99 0.216 -11.617 2.134 1.00 1.14 H new ATOM 0 HG23 VAL A 99 1.958 -11.322 2.341 1.00 1.14 H new ATOM 1564 N GLU A 100 0.716 -12.507 -2.475 1.00 0.71 N ATOM 1565 CA GLU A 100 0.395 -12.219 -3.874 1.00 0.74 C ATOM 1566 C GLU A 100 -0.545 -11.001 -3.944 1.00 0.73 C ATOM 1567 O GLU A 100 -1.452 -10.833 -3.116 1.00 0.82 O ATOM 1568 CB GLU A 100 -0.181 -13.480 -4.549 1.00 0.94 C ATOM 1569 CG GLU A 100 0.237 -13.651 -6.018 1.00 1.67 C ATOM 1570 CD GLU A 100 -0.726 -13.005 -7.010 1.00 2.54 C ATOM 1571 OE1 GLU A 100 -0.657 -11.777 -7.242 1.00 3.76 O ATOM 1572 OE2 GLU A 100 -1.537 -13.734 -7.625 1.00 2.89 O ATOM 0 H GLU A 100 0.260 -13.343 -2.111 1.00 0.71 H new ATOM 0 HA GLU A 100 1.295 -11.956 -4.430 1.00 0.74 H new ATOM 0 HB2 GLU A 100 0.138 -14.358 -3.987 1.00 0.94 H new ATOM 0 HB3 GLU A 100 -1.269 -13.444 -4.494 1.00 0.94 H new ATOM 0 HG2 GLU A 100 1.229 -13.221 -6.156 1.00 1.67 H new ATOM 0 HG3 GLU A 100 0.316 -14.715 -6.242 1.00 1.67 H new ATOM 1579 N LEU A 101 -0.292 -10.117 -4.905 1.00 0.80 N ATOM 1580 CA LEU A 101 -0.903 -8.795 -4.981 1.00 0.78 C ATOM 1581 C LEU A 101 -0.915 -8.276 -6.420 1.00 0.80 C ATOM 1582 O LEU A 101 0.134 -7.992 -6.991 1.00 0.82 O ATOM 1583 CB LEU A 101 -0.148 -7.830 -4.046 1.00 0.91 C ATOM 1584 CG LEU A 101 -0.912 -7.453 -2.775 1.00 1.04 C ATOM 1585 CD1 LEU A 101 0.046 -6.801 -1.786 1.00 1.57 C ATOM 1586 CD2 LEU A 101 -2.026 -6.440 -3.073 1.00 1.20 C ATOM 0 H LEU A 101 0.358 -10.305 -5.669 1.00 0.80 H new ATOM 0 HA LEU A 101 -1.941 -8.863 -4.656 1.00 0.78 H new ATOM 0 HB2 LEU A 101 0.801 -8.286 -3.763 1.00 0.91 H new ATOM 0 HB3 LEU A 101 0.088 -6.920 -4.597 1.00 0.91 H new ATOM 0 HG LEU A 101 -1.348 -8.365 -2.368 1.00 1.04 H new ATOM 0 HD11 LEU A 101 -0.495 -6.531 -0.879 1.00 1.57 H new ATOM 0 HD12 LEU A 101 0.844 -7.500 -1.538 1.00 1.57 H new ATOM 0 HD13 LEU A 101 0.475 -5.904 -2.233 1.00 1.57 H new ATOM 0 HD21 LEU A 101 -2.550 -6.193 -2.150 1.00 1.20 H new ATOM 0 HD22 LEU A 101 -1.591 -5.535 -3.497 1.00 1.20 H new ATOM 0 HD23 LEU A 101 -2.730 -6.872 -3.785 1.00 1.20 H new ATOM 1598 N ASP A 102 -2.115 -8.088 -6.961 1.00 0.83 N ATOM 1599 CA ASP A 102 -2.417 -7.410 -8.227 1.00 0.81 C ATOM 1600 C ASP A 102 -2.576 -5.900 -7.975 1.00 0.72 C ATOM 1601 O ASP A 102 -3.605 -5.464 -7.456 1.00 0.76 O ATOM 1602 CB ASP A 102 -3.728 -7.994 -8.796 1.00 0.95 C ATOM 1603 CG ASP A 102 -3.576 -9.049 -9.889 1.00 1.47 C ATOM 1604 OD1 ASP A 102 -2.772 -8.876 -10.822 1.00 2.82 O ATOM 1605 OD2 ASP A 102 -4.367 -10.023 -9.844 1.00 1.87 O ATOM 0 H ASP A 102 -2.960 -8.425 -6.500 1.00 0.83 H new ATOM 0 HA ASP A 102 -1.607 -7.563 -8.940 1.00 0.81 H new ATOM 0 HB2 ASP A 102 -4.294 -8.432 -7.973 1.00 0.95 H new ATOM 0 HB3 ASP A 102 -4.325 -7.173 -9.193 1.00 0.95 H new ATOM 1610 N LEU A 103 -1.581 -5.087 -8.347 1.00 0.67 N ATOM 1611 CA LEU A 103 -1.629 -3.621 -8.268 1.00 0.60 C ATOM 1612 C LEU A 103 -2.500 -3.056 -9.404 1.00 0.59 C ATOM 1613 O LEU A 103 -2.267 -3.362 -10.574 1.00 0.62 O ATOM 1614 CB LEU A 103 -0.192 -3.069 -8.359 1.00 0.62 C ATOM 1615 CG LEU A 103 0.741 -3.470 -7.194 1.00 0.71 C ATOM 1616 CD1 LEU A 103 2.196 -3.209 -7.604 1.00 1.12 C ATOM 1617 CD2 LEU A 103 0.418 -2.697 -5.906 1.00 1.09 C ATOM 0 H LEU A 103 -0.699 -5.437 -8.720 1.00 0.67 H new ATOM 0 HA LEU A 103 -2.073 -3.317 -7.320 1.00 0.60 H new ATOM 0 HB2 LEU A 103 0.253 -3.410 -9.294 1.00 0.62 H new ATOM 0 HB3 LEU A 103 -0.240 -1.981 -8.407 1.00 0.62 H new ATOM 0 HG LEU A 103 0.588 -4.529 -6.986 1.00 0.71 H new ATOM 0 HD11 LEU A 103 2.860 -3.490 -6.787 1.00 1.12 H new ATOM 0 HD12 LEU A 103 2.437 -3.801 -8.487 1.00 1.12 H new ATOM 0 HD13 LEU A 103 2.326 -2.151 -7.830 1.00 1.12 H new ATOM 0 HD21 LEU A 103 1.098 -3.010 -5.114 1.00 1.09 H new ATOM 0 HD22 LEU A 103 0.536 -1.628 -6.084 1.00 1.09 H new ATOM 0 HD23 LEU A 103 -0.609 -2.904 -5.606 1.00 1.09 H new ATOM 1629 N LEU A 104 -3.501 -2.230 -9.068 1.00 0.58 N ATOM 1630 CA LEU A 104 -4.484 -1.688 -10.018 1.00 0.61 C ATOM 1631 C LEU A 104 -4.084 -0.276 -10.463 1.00 0.60 C ATOM 1632 O LEU A 104 -4.010 0.650 -9.644 1.00 0.52 O ATOM 1633 CB LEU A 104 -5.901 -1.642 -9.398 1.00 0.63 C ATOM 1634 CG LEU A 104 -6.416 -2.901 -8.685 1.00 0.65 C ATOM 1635 CD1 LEU A 104 -7.864 -2.684 -8.226 1.00 0.72 C ATOM 1636 CD2 LEU A 104 -6.323 -4.172 -9.538 1.00 0.70 C ATOM 0 H LEU A 104 -3.653 -1.914 -8.110 1.00 0.58 H new ATOM 0 HA LEU A 104 -4.499 -2.352 -10.882 1.00 0.61 H new ATOM 0 HB2 LEU A 104 -5.927 -0.819 -8.683 1.00 0.63 H new ATOM 0 HB3 LEU A 104 -6.606 -1.396 -10.193 1.00 0.63 H new ATOM 0 HG LEU A 104 -5.764 -3.059 -7.826 1.00 0.65 H new ATOM 0 HD11 LEU A 104 -8.224 -3.580 -7.721 1.00 0.72 H new ATOM 0 HD12 LEU A 104 -7.905 -1.839 -7.539 1.00 0.72 H new ATOM 0 HD13 LEU A 104 -8.493 -2.478 -9.092 1.00 0.72 H new ATOM 0 HD21 LEU A 104 -6.704 -5.020 -8.970 1.00 0.70 H new ATOM 0 HD22 LEU A 104 -6.916 -4.046 -10.444 1.00 0.70 H new ATOM 0 HD23 LEU A 104 -5.283 -4.354 -9.808 1.00 0.70 H new ATOM 1648 N PHE A 105 -3.900 -0.079 -11.768 1.00 0.71 N ATOM 1649 CA PHE A 105 -3.451 1.188 -12.336 1.00 0.75 C ATOM 1650 C PHE A 105 -4.438 1.761 -13.361 1.00 0.88 C ATOM 1651 O PHE A 105 -4.690 1.179 -14.416 1.00 1.34 O ATOM 1652 CB PHE A 105 -2.096 0.983 -13.007 1.00 0.81 C ATOM 1653 CG PHE A 105 -0.985 0.522 -12.088 1.00 0.70 C ATOM 1654 CD1 PHE A 105 -0.367 1.444 -11.224 1.00 2.04 C ATOM 1655 CD2 PHE A 105 -0.558 -0.820 -12.104 1.00 1.95 C ATOM 1656 CE1 PHE A 105 0.696 1.033 -10.402 1.00 1.97 C ATOM 1657 CE2 PHE A 105 0.510 -1.225 -11.288 1.00 2.02 C ATOM 1658 CZ PHE A 105 1.145 -0.298 -10.446 1.00 0.71 C ATOM 0 H PHE A 105 -4.061 -0.804 -12.467 1.00 0.71 H new ATOM 0 HA PHE A 105 -3.379 1.904 -11.518 1.00 0.75 H new ATOM 0 HB2 PHE A 105 -2.211 0.251 -13.807 1.00 0.81 H new ATOM 0 HB3 PHE A 105 -1.794 1.921 -13.474 1.00 0.81 H new ATOM 0 HD1 PHE A 105 -0.709 2.468 -11.192 1.00 2.04 H new ATOM 0 HD2 PHE A 105 -1.052 -1.537 -12.743 1.00 1.95 H new ATOM 0 HE1 PHE A 105 1.168 1.740 -9.736 1.00 1.97 H new ATOM 0 HE2 PHE A 105 0.844 -2.252 -11.308 1.00 2.02 H new ATOM 0 HZ PHE A 105 1.978 -0.608 -9.832 1.00 0.71 H new ATOM 1668 N ALA A 106 -4.944 2.958 -13.057 1.00 0.63 N ATOM 1669 CA ALA A 106 -5.910 3.738 -13.847 1.00 0.70 C ATOM 1670 C ALA A 106 -7.127 2.921 -14.349 1.00 1.29 C ATOM 1671 O ALA A 106 -7.659 3.190 -15.426 1.00 2.01 O ATOM 1672 CB ALA A 106 -5.149 4.460 -14.972 1.00 1.46 C ATOM 0 H ALA A 106 -4.676 3.442 -12.200 1.00 0.63 H new ATOM 0 HA ALA A 106 -6.371 4.479 -13.194 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -5.850 5.044 -15.569 1.00 1.46 H new ATOM 0 HB2 ALA A 106 -4.401 5.124 -14.538 1.00 1.46 H new ATOM 0 HB3 ALA A 106 -4.656 3.725 -15.608 1.00 1.46 H new ATOM 1678 N GLY A 107 -7.506 1.867 -13.612 1.00 2.15 N ATOM 1679 CA GLY A 107 -8.493 0.857 -14.007 1.00 3.16 C ATOM 1680 C GLY A 107 -7.956 -0.112 -15.065 1.00 2.56 C ATOM 1681 O GLY A 107 -7.893 -1.313 -14.825 1.00 3.54 O ATOM 0 H GLY A 107 -7.116 1.689 -12.686 1.00 2.15 H new ATOM 0 HA2 GLY A 107 -8.802 0.293 -13.127 1.00 3.16 H new ATOM 0 HA3 GLY A 107 -9.382 1.355 -14.394 1.00 3.16 H new ATOM 1685 N GLY A 108 -7.564 0.416 -16.229 1.00 1.48 N ATOM 1686 CA GLY A 108 -7.277 -0.366 -17.442 1.00 1.41 C ATOM 1687 C GLY A 108 -5.937 -1.105 -17.470 1.00 1.26 C ATOM 1688 O GLY A 108 -5.698 -1.856 -18.412 1.00 1.61 O ATOM 0 H GLY A 108 -7.434 1.419 -16.360 1.00 1.48 H new ATOM 0 HA2 GLY A 108 -8.074 -1.098 -17.574 1.00 1.41 H new ATOM 0 HA3 GLY A 108 -7.315 0.306 -18.299 1.00 1.41 H new ATOM 1692 N LYS A 109 -5.036 -0.903 -16.501 1.00 0.98 N ATOM 1693 CA LYS A 109 -3.866 -1.753 -16.289 1.00 0.88 C ATOM 1694 C LYS A 109 -3.954 -2.445 -14.919 1.00 0.81 C ATOM 1695 O LYS A 109 -4.367 -1.832 -13.939 1.00 0.85 O ATOM 1696 CB LYS A 109 -2.591 -0.891 -16.353 1.00 0.87 C ATOM 1697 CG LYS A 109 -1.925 -0.817 -17.737 1.00 1.24 C ATOM 1698 CD LYS A 109 -2.642 0.092 -18.747 1.00 2.51 C ATOM 1699 CE LYS A 109 -2.559 1.566 -18.324 1.00 3.34 C ATOM 1700 NZ LYS A 109 -3.364 2.440 -19.210 1.00 4.46 N ATOM 0 H LYS A 109 -5.103 -0.133 -15.835 1.00 0.98 H new ATOM 0 HA LYS A 109 -3.833 -2.516 -17.067 1.00 0.88 H new ATOM 0 HB2 LYS A 109 -2.838 0.121 -16.031 1.00 0.87 H new ATOM 0 HB3 LYS A 109 -1.868 -1.285 -15.639 1.00 0.87 H new ATOM 0 HG2 LYS A 109 -0.901 -0.464 -17.614 1.00 1.24 H new ATOM 0 HG3 LYS A 109 -1.867 -1.823 -18.152 1.00 1.24 H new ATOM 0 HD2 LYS A 109 -2.195 -0.032 -19.733 1.00 2.51 H new ATOM 0 HD3 LYS A 109 -3.687 -0.207 -18.831 1.00 2.51 H new ATOM 0 HE2 LYS A 109 -2.908 1.669 -17.297 1.00 3.34 H new ATOM 0 HE3 LYS A 109 -1.519 1.891 -18.341 1.00 3.34 H new ATOM 0 HZ1 LYS A 109 -3.282 3.427 -18.892 1.00 4.46 H new ATOM 0 HZ2 LYS A 109 -3.014 2.361 -20.186 1.00 4.46 H new ATOM 0 HZ3 LYS A 109 -4.361 2.146 -19.174 1.00 4.46 H new ATOM 1714 N VAL A 110 -3.462 -3.676 -14.831 1.00 0.85 N ATOM 1715 CA VAL A 110 -3.235 -4.399 -13.586 1.00 0.82 C ATOM 1716 C VAL A 110 -2.025 -5.311 -13.760 1.00 0.91 C ATOM 1717 O VAL A 110 -1.870 -5.923 -14.818 1.00 1.05 O ATOM 1718 CB VAL A 110 -4.505 -5.150 -13.142 1.00 0.85 C ATOM 1719 CG1 VAL A 110 -5.103 -6.078 -14.215 1.00 0.97 C ATOM 1720 CG2 VAL A 110 -4.286 -5.960 -11.862 1.00 0.85 C ATOM 0 H VAL A 110 -3.201 -4.217 -15.655 1.00 0.85 H new ATOM 0 HA VAL A 110 -3.014 -3.700 -12.779 1.00 0.82 H new ATOM 0 HB VAL A 110 -5.223 -4.351 -12.957 1.00 0.85 H new ATOM 0 HG11 VAL A 110 -5.993 -6.566 -13.819 1.00 0.97 H new ATOM 0 HG12 VAL A 110 -5.371 -5.492 -15.094 1.00 0.97 H new ATOM 0 HG13 VAL A 110 -4.368 -6.834 -14.493 1.00 0.97 H new ATOM 0 HG21 VAL A 110 -5.211 -6.470 -11.592 1.00 0.85 H new ATOM 0 HG22 VAL A 110 -3.500 -6.697 -12.028 1.00 0.85 H new ATOM 0 HG23 VAL A 110 -3.991 -5.291 -11.054 1.00 0.85 H new ATOM 1730 N LEU A 111 -1.146 -5.328 -12.756 1.00 0.87 N ATOM 1731 CA LEU A 111 0.144 -6.017 -12.773 1.00 0.97 C ATOM 1732 C LEU A 111 0.423 -6.572 -11.377 1.00 0.97 C ATOM 1733 O LEU A 111 0.370 -5.825 -10.401 1.00 1.10 O ATOM 1734 CB LEU A 111 1.261 -5.022 -13.161 1.00 1.23 C ATOM 1735 CG LEU A 111 1.207 -4.460 -14.595 1.00 1.44 C ATOM 1736 CD1 LEU A 111 2.251 -3.347 -14.754 1.00 1.83 C ATOM 1737 CD2 LEU A 111 1.461 -5.551 -15.648 1.00 1.85 C ATOM 0 H LEU A 111 -1.321 -4.843 -11.876 1.00 0.87 H new ATOM 0 HA LEU A 111 0.119 -6.828 -13.501 1.00 0.97 H new ATOM 0 HB2 LEU A 111 1.230 -4.185 -12.464 1.00 1.23 H new ATOM 0 HB3 LEU A 111 2.223 -5.516 -13.023 1.00 1.23 H new ATOM 0 HG LEU A 111 0.205 -4.063 -14.757 1.00 1.44 H new ATOM 0 HD11 LEU A 111 2.210 -2.952 -15.769 1.00 1.83 H new ATOM 0 HD12 LEU A 111 2.041 -2.547 -14.044 1.00 1.83 H new ATOM 0 HD13 LEU A 111 3.245 -3.750 -14.562 1.00 1.83 H new ATOM 0 HD21 LEU A 111 1.414 -5.113 -16.645 1.00 1.85 H new ATOM 0 HD22 LEU A 111 2.447 -5.987 -15.489 1.00 1.85 H new ATOM 0 HD23 LEU A 111 0.702 -6.328 -15.557 1.00 1.85 H new ATOM 1749 N LYS A 112 0.738 -7.864 -11.267 1.00 1.00 N ATOM 1750 CA LYS A 112 0.999 -8.481 -9.967 1.00 1.09 C ATOM 1751 C LYS A 112 2.463 -8.463 -9.512 1.00 1.14 C ATOM 1752 O LYS A 112 3.394 -8.597 -10.307 1.00 1.43 O ATOM 1753 CB LYS A 112 0.357 -9.869 -9.847 1.00 1.20 C ATOM 1754 CG LYS A 112 0.631 -10.851 -10.995 1.00 2.10 C ATOM 1755 CD LYS A 112 -0.126 -12.181 -10.823 1.00 1.94 C ATOM 1756 CE LYS A 112 -1.653 -11.993 -10.834 1.00 2.29 C ATOM 1757 NZ LYS A 112 -2.214 -11.878 -9.471 1.00 2.90 N ATOM 0 H LYS A 112 0.818 -8.501 -12.060 1.00 1.00 H new ATOM 0 HA LYS A 112 0.501 -7.826 -9.252 1.00 1.09 H new ATOM 0 HB2 LYS A 112 0.701 -10.325 -8.918 1.00 1.20 H new ATOM 0 HB3 LYS A 112 -0.722 -9.740 -9.759 1.00 1.20 H new ATOM 0 HG2 LYS A 112 0.342 -10.391 -11.940 1.00 2.10 H new ATOM 0 HG3 LYS A 112 1.701 -11.050 -11.052 1.00 2.10 H new ATOM 0 HD2 LYS A 112 0.159 -12.864 -11.623 1.00 1.94 H new ATOM 0 HD3 LYS A 112 0.173 -12.647 -9.884 1.00 1.94 H new ATOM 0 HE2 LYS A 112 -1.903 -11.098 -11.404 1.00 2.29 H new ATOM 0 HE3 LYS A 112 -2.117 -12.836 -11.346 1.00 2.29 H new ATOM 0 HZ1 LYS A 112 -3.150 -11.426 -9.518 1.00 2.90 H new ATOM 0 HZ2 LYS A 112 -2.308 -12.826 -9.053 1.00 2.90 H new ATOM 0 HZ3 LYS A 112 -1.580 -11.301 -8.882 1.00 2.90 H new ATOM 1771 N VAL A 113 2.621 -8.359 -8.195 1.00 0.94 N ATOM 1772 CA VAL A 113 3.865 -8.475 -7.422 1.00 0.94 C ATOM 1773 C VAL A 113 3.661 -9.471 -6.270 1.00 0.87 C ATOM 1774 O VAL A 113 2.524 -9.790 -5.925 1.00 0.88 O ATOM 1775 CB VAL A 113 4.304 -7.103 -6.856 1.00 0.96 C ATOM 1776 CG1 VAL A 113 4.810 -6.181 -7.976 1.00 1.21 C ATOM 1777 CG2 VAL A 113 3.193 -6.390 -6.062 1.00 1.13 C ATOM 0 H VAL A 113 1.822 -8.177 -7.588 1.00 0.94 H new ATOM 0 HA VAL A 113 4.651 -8.833 -8.087 1.00 0.94 H new ATOM 0 HB VAL A 113 5.116 -7.315 -6.160 1.00 0.96 H new ATOM 0 HG11 VAL A 113 5.112 -5.224 -7.551 1.00 1.21 H new ATOM 0 HG12 VAL A 113 5.664 -6.644 -8.470 1.00 1.21 H new ATOM 0 HG13 VAL A 113 4.014 -6.020 -8.703 1.00 1.21 H new ATOM 0 HG21 VAL A 113 3.566 -5.435 -5.693 1.00 1.13 H new ATOM 0 HG22 VAL A 113 2.335 -6.218 -6.711 1.00 1.13 H new ATOM 0 HG23 VAL A 113 2.892 -7.012 -5.219 1.00 1.13 H new ATOM 1787 N VAL A 114 4.761 -9.934 -5.664 1.00 0.90 N ATOM 1788 CA VAL A 114 4.745 -10.807 -4.484 1.00 0.85 C ATOM 1789 C VAL A 114 5.818 -10.336 -3.494 1.00 0.98 C ATOM 1790 O VAL A 114 6.930 -10.010 -3.906 1.00 1.33 O ATOM 1791 CB VAL A 114 4.881 -12.299 -4.875 1.00 1.09 C ATOM 1792 CG1 VAL A 114 6.250 -12.655 -5.482 1.00 1.50 C ATOM 1793 CG2 VAL A 114 4.562 -13.203 -3.679 1.00 2.06 C ATOM 0 H VAL A 114 5.703 -9.709 -5.985 1.00 0.90 H new ATOM 0 HA VAL A 114 3.778 -10.732 -3.986 1.00 0.85 H new ATOM 0 HB VAL A 114 4.149 -12.475 -5.663 1.00 1.09 H new ATOM 0 HG11 VAL A 114 6.273 -13.716 -5.731 1.00 1.50 H new ATOM 0 HG12 VAL A 114 6.412 -12.066 -6.385 1.00 1.50 H new ATOM 0 HG13 VAL A 114 7.036 -12.435 -4.760 1.00 1.50 H new ATOM 0 HG21 VAL A 114 4.663 -14.247 -3.975 1.00 2.06 H new ATOM 0 HG22 VAL A 114 5.254 -12.988 -2.865 1.00 2.06 H new ATOM 0 HG23 VAL A 114 3.541 -13.018 -3.345 1.00 2.06 H new ATOM 1803 N LEU A 115 5.455 -10.218 -2.208 1.00 0.89 N ATOM 1804 CA LEU A 115 6.278 -9.648 -1.124 1.00 1.08 C ATOM 1805 C LEU A 115 5.997 -10.409 0.194 1.00 0.89 C ATOM 1806 O LEU A 115 4.844 -10.795 0.408 1.00 0.99 O ATOM 1807 CB LEU A 115 5.949 -8.151 -0.935 1.00 1.51 C ATOM 1808 CG LEU A 115 6.031 -7.281 -2.212 1.00 1.93 C ATOM 1809 CD1 LEU A 115 4.649 -7.049 -2.841 1.00 2.45 C ATOM 1810 CD2 LEU A 115 6.650 -5.921 -1.894 1.00 1.90 C ATOM 0 H LEU A 115 4.541 -10.530 -1.878 1.00 0.89 H new ATOM 0 HA LEU A 115 7.331 -9.749 -1.389 1.00 1.08 H new ATOM 0 HB2 LEU A 115 4.943 -8.068 -0.525 1.00 1.51 H new ATOM 0 HB3 LEU A 115 6.631 -7.739 -0.192 1.00 1.51 H new ATOM 0 HG LEU A 115 6.654 -7.826 -2.922 1.00 1.93 H new ATOM 0 HD11 LEU A 115 4.755 -6.434 -3.734 1.00 2.45 H new ATOM 0 HD12 LEU A 115 4.207 -8.008 -3.111 1.00 2.45 H new ATOM 0 HD13 LEU A 115 4.004 -6.541 -2.124 1.00 2.45 H new ATOM 0 HD21 LEU A 115 6.700 -5.322 -2.804 1.00 1.90 H new ATOM 0 HD22 LEU A 115 6.037 -5.406 -1.154 1.00 1.90 H new ATOM 0 HD23 LEU A 115 7.655 -6.063 -1.497 1.00 1.90 H new ATOM 1822 N PRO A 116 6.979 -10.619 1.095 1.00 0.84 N ATOM 1823 CA PRO A 116 6.840 -11.457 2.292 1.00 0.82 C ATOM 1824 C PRO A 116 5.926 -10.869 3.376 1.00 0.80 C ATOM 1825 O PRO A 116 5.813 -9.649 3.532 1.00 0.85 O ATOM 1826 CB PRO A 116 8.264 -11.655 2.827 1.00 0.94 C ATOM 1827 CG PRO A 116 9.004 -10.421 2.318 1.00 1.00 C ATOM 1828 CD PRO A 116 8.365 -10.209 0.949 1.00 0.98 C ATOM 0 HA PRO A 116 6.354 -12.394 2.020 1.00 0.82 H new ATOM 0 HB2 PRO A 116 8.280 -11.714 3.915 1.00 0.94 H new ATOM 0 HB3 PRO A 116 8.711 -12.576 2.451 1.00 0.94 H new ATOM 0 HG2 PRO A 116 8.861 -9.561 2.972 1.00 1.00 H new ATOM 0 HG3 PRO A 116 10.078 -10.591 2.245 1.00 1.00 H new ATOM 0 HD2 PRO A 116 8.434 -9.165 0.642 1.00 0.98 H new ATOM 0 HD3 PRO A 116 8.870 -10.800 0.185 1.00 0.98 H new ATOM 1836 N VAL A 117 5.330 -11.749 4.187 1.00 0.87 N ATOM 1837 CA VAL A 117 4.652 -11.388 5.427 1.00 0.89 C ATOM 1838 C VAL A 117 5.691 -11.278 6.551 1.00 0.97 C ATOM 1839 O VAL A 117 6.435 -12.233 6.791 1.00 1.17 O ATOM 1840 CB VAL A 117 3.567 -12.422 5.793 1.00 0.96 C ATOM 1841 CG1 VAL A 117 2.840 -11.969 7.058 1.00 1.08 C ATOM 1842 CG2 VAL A 117 2.511 -12.575 4.692 1.00 1.01 C ATOM 0 H VAL A 117 5.307 -12.750 3.992 1.00 0.87 H new ATOM 0 HA VAL A 117 4.154 -10.428 5.291 1.00 0.89 H new ATOM 0 HB VAL A 117 4.075 -13.376 5.933 1.00 0.96 H new ATOM 0 HG11 VAL A 117 2.073 -12.699 7.318 1.00 1.08 H new ATOM 0 HG12 VAL A 117 3.554 -11.885 7.878 1.00 1.08 H new ATOM 0 HG13 VAL A 117 2.374 -10.999 6.882 1.00 1.08 H new ATOM 0 HG21 VAL A 117 1.770 -13.314 4.998 1.00 1.01 H new ATOM 0 HG22 VAL A 117 2.019 -11.617 4.524 1.00 1.01 H new ATOM 0 HG23 VAL A 117 2.991 -12.903 3.770 1.00 1.01 H new ATOM 1852 N GLU A 118 5.709 -10.148 7.265 1.00 0.90 N ATOM 1853 CA GLU A 118 6.661 -9.837 8.335 1.00 0.99 C ATOM 1854 C GLU A 118 6.010 -8.969 9.431 1.00 1.02 C ATOM 1855 O GLU A 118 5.018 -8.286 9.202 1.00 1.17 O ATOM 1856 CB GLU A 118 7.907 -9.170 7.725 1.00 1.23 C ATOM 1857 CG GLU A 118 9.129 -9.258 8.646 1.00 1.67 C ATOM 1858 CD GLU A 118 10.367 -8.663 7.984 1.00 2.22 C ATOM 1859 OE1 GLU A 118 10.335 -7.452 7.669 1.00 2.78 O ATOM 1860 OE2 GLU A 118 11.353 -9.407 7.821 1.00 3.47 O ATOM 0 H GLU A 118 5.036 -9.398 7.108 1.00 0.90 H new ATOM 0 HA GLU A 118 6.970 -10.760 8.825 1.00 0.99 H new ATOM 0 HB2 GLU A 118 8.139 -9.645 6.772 1.00 1.23 H new ATOM 0 HB3 GLU A 118 7.689 -8.123 7.515 1.00 1.23 H new ATOM 0 HG2 GLU A 118 8.923 -8.731 9.578 1.00 1.67 H new ATOM 0 HG3 GLU A 118 9.318 -10.300 8.904 1.00 1.67 H new ATOM 1867 N ALA A 119 6.526 -9.050 10.660 1.00 1.22 N ATOM 1868 CA ALA A 119 5.847 -8.639 11.895 1.00 1.42 C ATOM 1869 C ALA A 119 6.262 -7.243 12.410 1.00 1.50 C ATOM 1870 O ALA A 119 6.571 -7.078 13.590 1.00 2.04 O ATOM 1871 CB ALA A 119 6.107 -9.748 12.924 1.00 1.80 C ATOM 0 H ALA A 119 7.462 -9.417 10.830 1.00 1.22 H new ATOM 0 HA ALA A 119 4.781 -8.522 11.703 1.00 1.42 H new ATOM 0 HB1 ALA A 119 5.622 -9.492 13.866 1.00 1.80 H new ATOM 0 HB2 ALA A 119 5.704 -10.690 12.553 1.00 1.80 H new ATOM 0 HB3 ALA A 119 7.180 -9.851 13.085 1.00 1.80 H new ATOM 1877 N ARG A 120 6.289 -6.246 11.523 1.00 1.49 N ATOM 1878 CA ARG A 120 6.797 -4.887 11.796 1.00 1.65 C ATOM 1879 C ARG A 120 6.074 -3.819 10.979 1.00 2.04 C ATOM 1880 O ARG A 120 4.918 -3.515 11.342 1.00 2.23 O ATOM 1881 CB ARG A 120 8.334 -4.849 11.622 1.00 2.52 C ATOM 1882 CG ARG A 120 8.855 -5.654 10.413 1.00 2.92 C ATOM 1883 CD ARG A 120 10.215 -5.146 9.924 1.00 3.17 C ATOM 1884 NE ARG A 120 10.059 -4.114 8.881 1.00 3.38 N ATOM 1885 CZ ARG A 120 10.653 -4.086 7.701 1.00 4.62 C ATOM 1886 NH1 ARG A 120 11.412 -5.037 7.248 1.00 5.34 N ATOM 1887 NH2 ARG A 120 10.496 -3.065 6.916 1.00 5.81 N ATOM 1888 OXT ARG A 120 6.659 -3.320 9.997 1.00 3.19 O ATOM 0 H ARG A 120 5.950 -6.358 10.567 1.00 1.49 H new ATOM 0 HA ARG A 120 6.578 -4.642 12.835 1.00 1.65 H new ATOM 0 HB2 ARG A 120 8.651 -3.811 11.517 1.00 2.52 H new ATOM 0 HB3 ARG A 120 8.800 -5.234 12.529 1.00 2.52 H new ATOM 0 HG2 ARG A 120 8.939 -6.706 10.687 1.00 2.92 H new ATOM 0 HG3 ARG A 120 8.132 -5.594 9.599 1.00 2.92 H new ATOM 0 HD2 ARG A 120 10.775 -4.735 10.764 1.00 3.17 H new ATOM 0 HD3 ARG A 120 10.796 -5.979 9.530 1.00 3.17 H new ATOM 0 HE ARG A 120 9.427 -3.342 9.093 1.00 3.38 H new ATOM 0 HH11 ARG A 120 11.579 -5.869 7.814 1.00 5.34 H new ATOM 0 HH12 ARG A 120 11.841 -4.952 6.327 1.00 5.34 H new ATOM 0 HH21 ARG A 120 9.913 -2.281 7.209 1.00 5.81 H new ATOM 0 HH22 ARG A 120 10.956 -3.046 6.006 1.00 5.81 H new