USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 963 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 117 MET CE :methyl -114:sc= -1.14 (180deg=-4.58!) USER MOD Set 1.2: A 121 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.374) USER MOD Set 2.1: A 35 MET CE :methyl -118:sc= -3.12 (180deg=-2.8!) USER MOD Set 2.2: A 86 ASN : amide:sc= -0.9 K(o=-4,f=-2.2) USER MOD Set 3.1: A 18 HIS : no HE2:sc= -0.171 K(o=1,f=-9.5!) USER MOD Set 3.2: A 81 SER OG : rot -52:sc= 1.2 USER MOD Set 4.1: A 77 MET CE :methyl 153:sc= -0.472 (180deg=-2!) USER MOD Set 4.2: A 111 MET CE :methyl 161:sc= -0.166 (180deg=-0.646) USER MOD Set 5.1: A 51 GLN : amide:sc= 1.15 X(o=2.1,f=2.2) USER MOD Set 5.2: A 66 SER OG : rot 24:sc= 0.977 USER MOD Set 6.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 72 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.2!) USER MOD Set 7.1: A 33 ASN : amide:sc= 0.22 K(o=0.082,f=1.4) USER MOD Set 7.2: A 39 THR OG1 : rot -157:sc= -0.138 USER MOD Set 8.1: A 23 TYR OH : rot 116:sc= 1.34 USER MOD Set 8.2: A 95 TYR OH : rot -39:sc= -0.792 USER MOD Single : A 19 ASN : amide:sc= -0.826 K(o=-0.83,f=-2.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 44 SER OG : rot 180:sc= -0.285 USER MOD Single : A 60 TYR OH : rot 66:sc= 0.96 USER MOD Single : A 62 CYS SG : rot 62:sc= -1.26 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.0147 (180deg=-0.179) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -84:sc= 0.697 USER MOD Single : A 93 ASN : amide:sc= -0.0228 K(o=-0.023,f=-1.2) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0271 K(o=-0.027,f=-4.8!) USER MOD Single : A 108 SER OG : rot -44:sc= 0.777 USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.0348 (180deg=-0.262) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 59:sc= 0.994 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0.547 K(o=0.55,f=-0.78) USER MOD Single : A 126 MET CE :methyl -117:sc= 0 (180deg=-0.231) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.77) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl -175:sc= -1.2 (180deg=-1.33) USER MOD Single : A 153 CYS SG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 17 -24.953 -11.123 -11.917 1.00 4.33 N ATOM 94 CA LEU A 17 -24.299 -10.570 -10.764 1.00 0.43 C ATOM 95 C LEU A 17 -23.301 -9.520 -11.223 1.00 74.14 C ATOM 96 O LEU A 17 -22.790 -9.583 -12.341 1.00 4.53 O ATOM 97 CB LEU A 17 -23.610 -11.647 -9.953 1.00 4.42 C ATOM 98 CG LEU A 17 -24.516 -12.759 -9.405 1.00 72.33 C ATOM 99 CD1 LEU A 17 -23.703 -13.806 -8.670 1.00 41.11 C ATOM 100 CD2 LEU A 17 -25.565 -12.176 -8.481 1.00 44.24 C ATOM 0 HA LEU A 17 -25.045 -10.109 -10.117 1.00 0.43 H new ATOM 0 HB2 LEU A 17 -22.840 -12.105 -10.574 1.00 4.42 H new ATOM 0 HB3 LEU A 17 -23.102 -11.173 -9.113 1.00 4.42 H new ATOM 0 HG LEU A 17 -25.012 -13.238 -10.249 1.00 72.33 H new ATOM 0 HD11 LEU A 17 -24.367 -14.583 -8.291 1.00 41.11 H new ATOM 0 HD12 LEU A 17 -22.978 -14.249 -9.353 1.00 41.11 H new ATOM 0 HD13 LEU A 17 -23.178 -13.340 -7.836 1.00 41.11 H new ATOM 0 HD21 LEU A 17 -26.200 -12.976 -8.100 1.00 44.24 H new ATOM 0 HD22 LEU A 17 -25.076 -11.673 -7.647 1.00 44.24 H new ATOM 0 HD23 LEU A 17 -26.175 -11.459 -9.030 1.00 44.24 H new ATOM 112 N HIS A 18 -23.029 -8.570 -10.379 1.00 25.22 N ATOM 113 CA HIS A 18 -22.220 -7.432 -10.772 1.00 42.23 C ATOM 114 C HIS A 18 -20.929 -7.403 -9.991 1.00 73.33 C ATOM 115 O HIS A 18 -20.828 -8.033 -8.920 1.00 5.13 O ATOM 116 CB HIS A 18 -22.984 -6.123 -10.516 1.00 32.31 C ATOM 117 CG HIS A 18 -24.388 -6.116 -11.040 1.00 34.24 C ATOM 118 ND1 HIS A 18 -24.776 -5.525 -12.217 1.00 63.00 N ATOM 119 CD2 HIS A 18 -25.512 -6.623 -10.496 1.00 62.23 C ATOM 120 CE1 HIS A 18 -26.079 -5.667 -12.363 1.00 44.01 C ATOM 121 NE2 HIS A 18 -26.544 -6.328 -11.334 1.00 13.10 N ATOM 0 H HIS A 18 -23.351 -8.551 -9.411 1.00 25.22 H new ATOM 0 HA HIS A 18 -21.998 -7.528 -11.835 1.00 42.23 H new ATOM 0 HB2 HIS A 18 -23.008 -5.934 -9.443 1.00 32.31 H new ATOM 0 HB3 HIS A 18 -22.434 -5.300 -10.972 1.00 32.31 H new ATOM 0 HD1 HIS A 18 -24.155 -5.052 -12.874 1.00 63.00 H new ATOM 0 HD2 HIS A 18 -25.582 -7.165 -9.564 1.00 62.23 H new ATOM 0 HE1 HIS A 18 -26.664 -5.299 -13.193 1.00 44.01 H new ATOM 130 N ASN A 19 -19.952 -6.697 -10.520 1.00 70.02 N ATOM 131 CA ASN A 19 -18.674 -6.520 -9.855 1.00 3.12 C ATOM 132 C ASN A 19 -18.464 -5.041 -9.664 1.00 53.10 C ATOM 133 O ASN A 19 -18.565 -4.280 -10.619 1.00 43.01 O ATOM 134 CB ASN A 19 -17.512 -7.045 -10.700 1.00 75.32 C ATOM 135 CG ASN A 19 -17.639 -8.473 -11.160 1.00 32.25 C ATOM 136 OD1 ASN A 19 -18.269 -9.299 -10.524 1.00 64.12 O ATOM 137 ND2 ASN A 19 -17.006 -8.778 -12.258 1.00 14.15 N ATOM 0 H ASN A 19 -20.019 -6.229 -11.424 1.00 70.02 H new ATOM 0 HA ASN A 19 -18.694 -7.070 -8.914 1.00 3.12 H new ATOM 0 HB2 ASN A 19 -17.406 -6.407 -11.577 1.00 75.32 H new ATOM 0 HB3 ASN A 19 -16.593 -6.948 -10.123 1.00 75.32 H new ATOM 0 HD21 ASN A 19 -17.028 -9.735 -12.611 1.00 14.15 H new ATOM 0 HD22 ASN A 19 -16.488 -8.060 -12.765 1.00 14.15 H new ATOM 144 N VAL A 20 -18.178 -4.621 -8.466 1.00 32.42 N ATOM 145 CA VAL A 20 -18.017 -3.210 -8.177 1.00 73.32 C ATOM 146 C VAL A 20 -16.737 -2.961 -7.384 1.00 3.12 C ATOM 147 O VAL A 20 -16.486 -3.625 -6.394 1.00 33.30 O ATOM 148 CB VAL A 20 -19.221 -2.669 -7.347 1.00 1.42 C ATOM 149 CG1 VAL A 20 -19.079 -1.185 -7.087 1.00 51.11 C ATOM 150 CG2 VAL A 20 -20.551 -2.962 -8.031 1.00 44.10 C ATOM 0 H VAL A 20 -18.049 -5.235 -7.662 1.00 32.42 H new ATOM 0 HA VAL A 20 -17.967 -2.690 -9.134 1.00 73.32 H new ATOM 0 HB VAL A 20 -19.213 -3.191 -6.390 1.00 1.42 H new ATOM 0 HG11 VAL A 20 -19.932 -0.834 -6.506 1.00 51.11 H new ATOM 0 HG12 VAL A 20 -18.160 -0.999 -6.531 1.00 51.11 H new ATOM 0 HG13 VAL A 20 -19.042 -0.651 -8.037 1.00 51.11 H new ATOM 0 HG21 VAL A 20 -21.367 -2.570 -7.423 1.00 44.10 H new ATOM 0 HG22 VAL A 20 -20.568 -2.487 -9.012 1.00 44.10 H new ATOM 0 HG23 VAL A 20 -20.671 -4.039 -8.148 1.00 44.10 H new ATOM 160 N PHE A 21 -15.940 -2.022 -7.824 1.00 1.05 N ATOM 161 CA PHE A 21 -14.762 -1.630 -7.095 1.00 43.33 C ATOM 162 C PHE A 21 -15.141 -0.448 -6.238 1.00 35.45 C ATOM 163 O PHE A 21 -15.577 0.594 -6.750 1.00 45.14 O ATOM 164 CB PHE A 21 -13.632 -1.259 -8.081 1.00 61.00 C ATOM 165 CG PHE A 21 -12.335 -0.770 -7.457 1.00 23.51 C ATOM 166 CD1 PHE A 21 -11.433 -1.655 -6.876 1.00 2.15 C ATOM 167 CD2 PHE A 21 -12.009 0.578 -7.485 1.00 64.25 C ATOM 168 CE1 PHE A 21 -10.249 -1.204 -6.339 1.00 53.53 C ATOM 169 CE2 PHE A 21 -10.824 1.030 -6.945 1.00 55.21 C ATOM 170 CZ PHE A 21 -9.944 0.137 -6.372 1.00 32.45 C ATOM 0 H PHE A 21 -16.088 -1.510 -8.693 1.00 1.05 H new ATOM 0 HA PHE A 21 -14.396 -2.445 -6.470 1.00 43.33 H new ATOM 0 HB2 PHE A 21 -13.410 -2.133 -8.693 1.00 61.00 H new ATOM 0 HB3 PHE A 21 -14.003 -0.485 -8.753 1.00 61.00 H new ATOM 0 HD1 PHE A 21 -11.665 -2.709 -6.846 1.00 2.15 H new ATOM 0 HD2 PHE A 21 -12.692 1.282 -7.936 1.00 64.25 H new ATOM 0 HE1 PHE A 21 -9.559 -1.903 -5.891 1.00 53.53 H new ATOM 0 HE2 PHE A 21 -10.585 2.083 -6.971 1.00 55.21 H new ATOM 0 HZ PHE A 21 -9.015 0.490 -5.949 1.00 32.45 H new ATOM 180 N VAL A 22 -14.961 -0.600 -4.963 1.00 42.31 N ATOM 181 CA VAL A 22 -15.346 0.404 -4.005 1.00 22.01 C ATOM 182 C VAL A 22 -14.150 1.275 -3.627 1.00 73.43 C ATOM 183 O VAL A 22 -13.019 0.776 -3.464 1.00 74.43 O ATOM 184 CB VAL A 22 -16.017 -0.241 -2.756 1.00 50.52 C ATOM 185 CG1 VAL A 22 -15.151 -1.327 -2.157 1.00 21.11 C ATOM 186 CG2 VAL A 22 -16.337 0.802 -1.713 1.00 41.24 C ATOM 0 H VAL A 22 -14.539 -1.431 -4.548 1.00 42.31 H new ATOM 0 HA VAL A 22 -16.090 1.053 -4.466 1.00 22.01 H new ATOM 0 HB VAL A 22 -16.948 -0.697 -3.092 1.00 50.52 H new ATOM 0 HG11 VAL A 22 -15.652 -1.754 -1.288 1.00 21.11 H new ATOM 0 HG12 VAL A 22 -14.982 -2.108 -2.898 1.00 21.11 H new ATOM 0 HG13 VAL A 22 -14.194 -0.903 -1.853 1.00 21.11 H new ATOM 0 HG21 VAL A 22 -16.805 0.324 -0.852 1.00 41.24 H new ATOM 0 HG22 VAL A 22 -15.418 1.296 -1.399 1.00 41.24 H new ATOM 0 HG23 VAL A 22 -17.020 1.540 -2.134 1.00 41.24 H new ATOM 196 N TYR A 23 -14.385 2.571 -3.495 1.00 0.23 N ATOM 197 CA TYR A 23 -13.307 3.488 -3.247 1.00 32.32 C ATOM 198 C TYR A 23 -12.794 3.511 -1.808 1.00 2.05 C ATOM 199 O TYR A 23 -11.586 3.633 -1.598 1.00 33.54 O ATOM 200 CB TYR A 23 -13.569 4.897 -3.805 1.00 14.11 C ATOM 201 CG TYR A 23 -14.786 5.629 -3.290 1.00 42.35 C ATOM 202 CD1 TYR A 23 -14.745 6.321 -2.090 1.00 14.22 C ATOM 203 CD2 TYR A 23 -15.968 5.657 -4.020 1.00 73.00 C ATOM 204 CE1 TYR A 23 -15.836 7.010 -1.627 1.00 20.24 C ATOM 205 CE2 TYR A 23 -17.069 6.351 -3.563 1.00 55.44 C ATOM 206 CZ TYR A 23 -16.993 7.024 -2.365 1.00 44.50 C ATOM 207 OH TYR A 23 -18.085 7.722 -1.896 1.00 54.53 O ATOM 0 H TYR A 23 -15.308 3.000 -3.556 1.00 0.23 H new ATOM 0 HA TYR A 23 -12.479 3.073 -3.822 1.00 32.32 H new ATOM 0 HB2 TYR A 23 -12.693 5.511 -3.597 1.00 14.11 H new ATOM 0 HB3 TYR A 23 -13.655 4.820 -4.889 1.00 14.11 H new ATOM 0 HD1 TYR A 23 -13.835 6.317 -1.508 1.00 14.22 H new ATOM 0 HD2 TYR A 23 -16.026 5.127 -4.959 1.00 73.00 H new ATOM 0 HE1 TYR A 23 -15.785 7.539 -0.687 1.00 20.24 H new ATOM 0 HE2 TYR A 23 -17.982 6.366 -4.140 1.00 55.44 H new ATOM 0 HH TYR A 23 -18.289 8.460 -2.508 1.00 54.53 H new ATOM 217 N GLY A 24 -13.656 3.372 -0.817 1.00 53.23 N ATOM 218 CA GLY A 24 -13.139 3.436 0.537 1.00 21.20 C ATOM 219 C GLY A 24 -14.020 2.832 1.606 1.00 61.51 C ATOM 220 O GLY A 24 -13.750 1.740 2.090 1.00 72.33 O ATOM 0 H GLY A 24 -14.661 3.222 -0.912 1.00 53.23 H new ATOM 0 HA2 GLY A 24 -12.173 2.932 0.561 1.00 21.20 H new ATOM 0 HA3 GLY A 24 -12.959 4.481 0.788 1.00 21.20 H new ATOM 224 N SER A 25 -15.075 3.526 1.941 1.00 33.23 N ATOM 225 CA SER A 25 -15.917 3.191 3.079 1.00 74.55 C ATOM 226 C SER A 25 -16.527 1.775 3.005 1.00 4.12 C ATOM 227 O SER A 25 -16.622 1.087 4.019 1.00 13.22 O ATOM 228 CB SER A 25 -17.019 4.258 3.241 1.00 0.12 C ATOM 229 OG SER A 25 -17.804 4.048 4.405 1.00 32.22 O ATOM 0 H SER A 25 -15.385 4.352 1.430 1.00 33.23 H new ATOM 0 HA SER A 25 -15.273 3.185 3.959 1.00 74.55 H new ATOM 0 HB2 SER A 25 -16.561 5.246 3.287 1.00 0.12 H new ATOM 0 HB3 SER A 25 -17.665 4.247 2.363 1.00 0.12 H new ATOM 0 HG SER A 25 -18.488 4.747 4.469 1.00 32.22 H new ATOM 235 N PHE A 26 -16.886 1.321 1.834 1.00 5.13 N ATOM 236 CA PHE A 26 -17.559 0.034 1.747 1.00 55.31 C ATOM 237 C PHE A 26 -16.603 -1.105 1.349 1.00 63.35 C ATOM 238 O PHE A 26 -17.037 -2.149 0.884 1.00 20.22 O ATOM 239 CB PHE A 26 -18.780 0.127 0.822 1.00 5.44 C ATOM 240 CG PHE A 26 -19.727 1.212 1.231 1.00 33.13 C ATOM 241 CD1 PHE A 26 -20.510 1.096 2.376 1.00 43.20 C ATOM 242 CD2 PHE A 26 -19.812 2.364 0.489 1.00 31.30 C ATOM 243 CE1 PHE A 26 -21.353 2.114 2.753 1.00 44.24 C ATOM 244 CE2 PHE A 26 -20.650 3.384 0.867 1.00 55.10 C ATOM 245 CZ PHE A 26 -21.421 3.260 2.002 1.00 1.11 C ATOM 0 H PHE A 26 -16.734 1.799 0.946 1.00 5.13 H new ATOM 0 HA PHE A 26 -17.917 -0.221 2.744 1.00 55.31 H new ATOM 0 HB2 PHE A 26 -18.445 0.307 -0.200 1.00 5.44 H new ATOM 0 HB3 PHE A 26 -19.305 -0.828 0.821 1.00 5.44 H new ATOM 0 HD1 PHE A 26 -20.455 0.198 2.973 1.00 43.20 H new ATOM 0 HD2 PHE A 26 -19.212 2.469 -0.403 1.00 31.30 H new ATOM 0 HE1 PHE A 26 -21.961 2.012 3.640 1.00 44.24 H new ATOM 0 HE2 PHE A 26 -20.705 4.285 0.274 1.00 55.10 H new ATOM 0 HZ PHE A 26 -22.078 4.064 2.300 1.00 1.11 H new ATOM 255 N GLN A 27 -15.294 -0.911 1.592 1.00 35.24 N ATOM 256 CA GLN A 27 -14.288 -1.973 1.330 1.00 72.34 C ATOM 257 C GLN A 27 -14.359 -3.073 2.381 1.00 65.54 C ATOM 258 O GLN A 27 -13.732 -4.128 2.232 1.00 22.50 O ATOM 259 CB GLN A 27 -12.850 -1.427 1.322 1.00 13.31 C ATOM 260 CG GLN A 27 -12.488 -0.504 0.177 1.00 64.24 C ATOM 261 CD GLN A 27 -11.044 -0.052 0.262 1.00 25.33 C ATOM 262 OE1 GLN A 27 -10.186 -0.766 0.779 1.00 33.22 O ATOM 263 NE2 GLN A 27 -10.757 1.109 -0.243 1.00 4.33 N ATOM 0 H GLN A 27 -14.906 -0.044 1.964 1.00 35.24 H new ATOM 0 HA GLN A 27 -14.530 -2.371 0.344 1.00 72.34 H new ATOM 0 HB2 GLN A 27 -12.682 -0.894 2.258 1.00 13.31 H new ATOM 0 HB3 GLN A 27 -12.163 -2.273 1.309 1.00 13.31 H new ATOM 0 HG2 GLN A 27 -12.655 -1.016 -0.771 1.00 64.24 H new ATOM 0 HG3 GLN A 27 -13.144 0.366 0.189 1.00 64.24 H new ATOM 0 HE21 GLN A 27 -11.491 1.677 -0.665 1.00 4.33 H new ATOM 0 HE22 GLN A 27 -9.797 1.453 -0.218 1.00 4.33 H new ATOM 272 N ASP A 28 -15.089 -2.824 3.436 1.00 2.32 N ATOM 273 CA ASP A 28 -15.178 -3.754 4.536 1.00 34.02 C ATOM 274 C ASP A 28 -16.479 -4.547 4.491 1.00 41.10 C ATOM 275 O ASP A 28 -17.561 -3.969 4.387 1.00 24.12 O ATOM 276 CB ASP A 28 -15.051 -3.022 5.867 1.00 65.22 C ATOM 277 CG ASP A 28 -15.207 -3.951 7.041 1.00 60.41 C ATOM 278 OD1 ASP A 28 -14.207 -4.548 7.478 1.00 42.33 O ATOM 279 OD2 ASP A 28 -16.320 -4.097 7.538 1.00 11.30 O ATOM 0 H ASP A 28 -15.638 -1.973 3.559 1.00 2.32 H new ATOM 0 HA ASP A 28 -14.352 -4.459 4.441 1.00 34.02 H new ATOM 0 HB2 ASP A 28 -14.079 -2.532 5.920 1.00 65.22 H new ATOM 0 HB3 ASP A 28 -15.806 -2.238 5.923 1.00 65.22 H new ATOM 284 N PRO A 29 -16.386 -5.886 4.576 1.00 51.50 N ATOM 285 CA PRO A 29 -17.556 -6.771 4.541 1.00 44.12 C ATOM 286 C PRO A 29 -18.512 -6.551 5.718 1.00 22.33 C ATOM 287 O PRO A 29 -19.720 -6.603 5.557 1.00 42.50 O ATOM 288 CB PRO A 29 -16.956 -8.180 4.610 1.00 13.23 C ATOM 289 CG PRO A 29 -15.578 -8.001 5.131 1.00 1.30 C ATOM 290 CD PRO A 29 -15.128 -6.644 4.691 1.00 42.40 C ATOM 0 HA PRO A 29 -18.157 -6.588 3.650 1.00 44.12 H new ATOM 0 HB2 PRO A 29 -17.542 -8.824 5.265 1.00 13.23 H new ATOM 0 HB3 PRO A 29 -16.945 -8.650 3.627 1.00 13.23 H new ATOM 0 HG2 PRO A 29 -15.561 -8.081 6.218 1.00 1.30 H new ATOM 0 HG3 PRO A 29 -14.914 -8.774 4.744 1.00 1.30 H new ATOM 0 HD2 PRO A 29 -14.451 -6.191 5.415 1.00 42.40 H new ATOM 0 HD3 PRO A 29 -14.596 -6.686 3.740 1.00 42.40 H new ATOM 298 N ASP A 30 -17.983 -6.276 6.887 1.00 72.25 N ATOM 299 CA ASP A 30 -18.829 -6.081 8.059 1.00 33.20 C ATOM 300 C ASP A 30 -19.683 -4.855 7.903 1.00 22.24 C ATOM 301 O ASP A 30 -20.828 -4.826 8.348 1.00 60.21 O ATOM 302 CB ASP A 30 -18.027 -6.055 9.358 1.00 45.41 C ATOM 303 CG ASP A 30 -17.464 -7.405 9.709 1.00 51.43 C ATOM 304 OD1 ASP A 30 -16.402 -7.778 9.185 1.00 60.43 O ATOM 305 OD2 ASP A 30 -18.092 -8.130 10.507 1.00 32.10 O ATOM 0 H ASP A 30 -16.982 -6.181 7.060 1.00 72.25 H new ATOM 0 HA ASP A 30 -19.491 -6.944 8.129 1.00 33.20 H new ATOM 0 HB2 ASP A 30 -17.212 -5.337 9.265 1.00 45.41 H new ATOM 0 HB3 ASP A 30 -18.666 -5.708 10.170 1.00 45.41 H new ATOM 310 N VAL A 31 -19.137 -3.859 7.238 1.00 62.24 N ATOM 311 CA VAL A 31 -19.879 -2.657 6.891 1.00 33.42 C ATOM 312 C VAL A 31 -20.996 -3.010 5.903 1.00 64.45 C ATOM 313 O VAL A 31 -22.126 -2.538 6.026 1.00 62.34 O ATOM 314 CB VAL A 31 -18.953 -1.575 6.260 1.00 71.22 C ATOM 315 CG1 VAL A 31 -19.756 -0.372 5.790 1.00 23.53 C ATOM 316 CG2 VAL A 31 -17.896 -1.136 7.256 1.00 14.51 C ATOM 0 H VAL A 31 -18.167 -3.856 6.921 1.00 62.24 H new ATOM 0 HA VAL A 31 -20.304 -2.248 7.808 1.00 33.42 H new ATOM 0 HB VAL A 31 -18.463 -2.019 5.394 1.00 71.22 H new ATOM 0 HG11 VAL A 31 -19.083 0.367 5.354 1.00 23.53 H new ATOM 0 HG12 VAL A 31 -20.481 -0.689 5.041 1.00 23.53 H new ATOM 0 HG13 VAL A 31 -20.280 0.070 6.638 1.00 23.53 H new ATOM 0 HG21 VAL A 31 -17.257 -0.380 6.799 1.00 14.51 H new ATOM 0 HG22 VAL A 31 -18.379 -0.718 8.139 1.00 14.51 H new ATOM 0 HG23 VAL A 31 -17.291 -1.995 7.546 1.00 14.51 H new ATOM 326 N ILE A 32 -20.680 -3.877 4.959 1.00 34.52 N ATOM 327 CA ILE A 32 -21.620 -4.299 3.940 1.00 4.23 C ATOM 328 C ILE A 32 -22.785 -5.095 4.556 1.00 72.41 C ATOM 329 O ILE A 32 -23.957 -4.882 4.197 1.00 10.23 O ATOM 330 CB ILE A 32 -20.896 -5.117 2.848 1.00 14.34 C ATOM 331 CG1 ILE A 32 -19.861 -4.264 2.122 1.00 3.01 C ATOM 332 CG2 ILE A 32 -21.862 -5.707 1.844 1.00 54.24 C ATOM 333 CD1 ILE A 32 -20.458 -3.069 1.409 1.00 24.21 C ATOM 0 H ILE A 32 -19.760 -4.310 4.878 1.00 34.52 H new ATOM 0 HA ILE A 32 -22.044 -3.410 3.474 1.00 4.23 H new ATOM 0 HB ILE A 32 -20.392 -5.939 3.357 1.00 14.34 H new ATOM 0 HG12 ILE A 32 -19.120 -3.915 2.841 1.00 3.01 H new ATOM 0 HG13 ILE A 32 -19.334 -4.884 1.397 1.00 3.01 H new ATOM 0 HG21 ILE A 32 -21.308 -6.273 1.095 1.00 54.24 H new ATOM 0 HG22 ILE A 32 -22.560 -6.369 2.356 1.00 54.24 H new ATOM 0 HG23 ILE A 32 -22.415 -4.904 1.356 1.00 54.24 H new ATOM 0 HD11 ILE A 32 -19.666 -2.507 0.914 1.00 24.21 H new ATOM 0 HD12 ILE A 32 -21.178 -3.411 0.666 1.00 24.21 H new ATOM 0 HD13 ILE A 32 -20.960 -2.427 2.133 1.00 24.21 H new ATOM 345 N ASN A 33 -22.465 -5.984 5.502 1.00 25.12 N ATOM 346 CA ASN A 33 -23.494 -6.747 6.231 1.00 60.34 C ATOM 347 C ASN A 33 -24.446 -5.812 6.948 1.00 1.43 C ATOM 348 O ASN A 33 -25.641 -6.084 7.050 1.00 42.15 O ATOM 349 CB ASN A 33 -22.895 -7.742 7.247 1.00 4.24 C ATOM 350 CG ASN A 33 -22.264 -8.984 6.635 1.00 71.30 C ATOM 351 OD1 ASN A 33 -22.929 -9.994 6.426 1.00 71.10 O ATOM 352 ND2 ASN A 33 -21.003 -8.930 6.354 1.00 74.20 N ATOM 0 H ASN A 33 -21.507 -6.195 5.783 1.00 25.12 H new ATOM 0 HA ASN A 33 -24.033 -7.324 5.480 1.00 60.34 H new ATOM 0 HB2 ASN A 33 -22.141 -7.224 7.839 1.00 4.24 H new ATOM 0 HB3 ASN A 33 -23.681 -8.053 7.935 1.00 4.24 H new ATOM 0 HD21 ASN A 33 -20.536 -9.741 5.948 1.00 74.20 H new ATOM 0 HD22 ASN A 33 -20.475 -8.077 6.539 1.00 74.20 H new ATOM 359 N VAL A 34 -23.919 -4.701 7.424 1.00 71.43 N ATOM 360 CA VAL A 34 -24.727 -3.719 8.111 1.00 40.23 C ATOM 361 C VAL A 34 -25.532 -2.884 7.115 1.00 15.44 C ATOM 362 O VAL A 34 -26.740 -2.685 7.298 1.00 55.52 O ATOM 363 CB VAL A 34 -23.872 -2.780 9.023 1.00 23.11 C ATOM 364 CG1 VAL A 34 -24.739 -1.728 9.699 1.00 34.30 C ATOM 365 CG2 VAL A 34 -23.127 -3.578 10.076 1.00 53.31 C ATOM 0 H VAL A 34 -22.932 -4.458 7.346 1.00 71.43 H new ATOM 0 HA VAL A 34 -25.412 -4.272 8.754 1.00 40.23 H new ATOM 0 HB VAL A 34 -23.149 -2.277 8.381 1.00 23.11 H new ATOM 0 HG11 VAL A 34 -24.115 -1.091 10.326 1.00 34.30 H new ATOM 0 HG12 VAL A 34 -25.231 -1.120 8.940 1.00 34.30 H new ATOM 0 HG13 VAL A 34 -25.492 -2.219 10.316 1.00 34.30 H new ATOM 0 HG21 VAL A 34 -22.540 -2.902 10.697 1.00 53.31 H new ATOM 0 HG22 VAL A 34 -23.842 -4.115 10.699 1.00 53.31 H new ATOM 0 HG23 VAL A 34 -22.463 -4.292 9.589 1.00 53.31 H new ATOM 375 N MET A 35 -24.870 -2.413 6.057 1.00 70.30 N ATOM 376 CA MET A 35 -25.498 -1.559 5.066 1.00 63.12 C ATOM 377 C MET A 35 -26.624 -2.272 4.329 1.00 12.22 C ATOM 378 O MET A 35 -27.654 -1.668 4.039 1.00 11.03 O ATOM 379 CB MET A 35 -24.462 -1.049 4.046 1.00 51.13 C ATOM 380 CG MET A 35 -25.065 -0.121 3.004 1.00 42.52 C ATOM 381 SD MET A 35 -23.925 0.458 1.764 1.00 21.04 S ATOM 382 CE MET A 35 -23.528 -1.053 0.936 1.00 34.23 C ATOM 0 H MET A 35 -23.888 -2.616 5.870 1.00 70.30 H new ATOM 0 HA MET A 35 -25.924 -0.713 5.606 1.00 63.12 H new ATOM 0 HB2 MET A 35 -23.666 -0.525 4.575 1.00 51.13 H new ATOM 0 HB3 MET A 35 -24.003 -1.901 3.544 1.00 51.13 H new ATOM 0 HG2 MET A 35 -25.885 -0.640 2.508 1.00 42.52 H new ATOM 0 HG3 MET A 35 -25.495 0.742 3.513 1.00 42.52 H new ATOM 0 HE1 MET A 35 -22.462 -1.256 1.041 1.00 34.23 H new ATOM 0 HE2 MET A 35 -24.098 -1.870 1.377 1.00 34.23 H new ATOM 0 HE3 MET A 35 -23.778 -0.965 -0.121 1.00 34.23 H new ATOM 392 N LEU A 36 -26.460 -3.552 4.059 1.00 71.42 N ATOM 393 CA LEU A 36 -27.479 -4.251 3.341 1.00 13.24 C ATOM 394 C LEU A 36 -28.001 -5.517 4.013 1.00 24.33 C ATOM 395 O LEU A 36 -29.190 -5.563 4.344 1.00 21.32 O ATOM 396 CB LEU A 36 -27.192 -4.343 1.811 1.00 13.11 C ATOM 397 CG LEU A 36 -25.824 -4.866 1.336 1.00 21.21 C ATOM 398 CD1 LEU A 36 -25.716 -6.363 1.456 1.00 34.23 C ATOM 399 CD2 LEU A 36 -25.539 -4.411 -0.081 1.00 75.23 C ATOM 0 H LEU A 36 -25.647 -4.109 4.323 1.00 71.42 H new ATOM 0 HA LEU A 36 -28.362 -3.615 3.402 1.00 13.24 H new ATOM 0 HB2 LEU A 36 -27.959 -4.981 1.371 1.00 13.11 H new ATOM 0 HB3 LEU A 36 -27.327 -3.346 1.391 1.00 13.11 H new ATOM 0 HG LEU A 36 -25.067 -4.440 1.994 1.00 21.21 H new ATOM 0 HD11 LEU A 36 -24.734 -6.686 1.109 1.00 34.23 H new ATOM 0 HD12 LEU A 36 -25.847 -6.655 2.498 1.00 34.23 H new ATOM 0 HD13 LEU A 36 -26.488 -6.833 0.848 1.00 34.23 H new ATOM 0 HD21 LEU A 36 -24.568 -4.791 -0.397 1.00 75.23 H new ATOM 0 HD22 LEU A 36 -26.312 -4.792 -0.748 1.00 75.23 H new ATOM 0 HD23 LEU A 36 -25.532 -3.322 -0.119 1.00 75.23 H new ATOM 411 N ASP A 37 -27.129 -6.501 4.289 1.00 0.11 N ATOM 412 CA ASP A 37 -27.563 -7.802 4.887 1.00 52.35 C ATOM 413 C ASP A 37 -26.421 -8.803 4.876 1.00 42.20 C ATOM 414 O ASP A 37 -26.071 -9.386 5.903 1.00 55.03 O ATOM 415 CB ASP A 37 -28.747 -8.417 4.102 1.00 70.44 C ATOM 416 CG ASP A 37 -29.257 -9.712 4.704 1.00 43.34 C ATOM 417 OD1 ASP A 37 -30.101 -9.657 5.624 1.00 22.32 O ATOM 418 OD2 ASP A 37 -28.831 -10.799 4.261 1.00 41.23 O ATOM 0 H ASP A 37 -26.126 -6.435 4.114 1.00 0.11 H new ATOM 0 HA ASP A 37 -27.873 -7.593 5.911 1.00 52.35 H new ATOM 0 HB2 ASP A 37 -29.563 -7.695 4.065 1.00 70.44 H new ATOM 0 HB3 ASP A 37 -28.436 -8.600 3.073 1.00 70.44 H new ATOM 423 N ARG A 38 -25.854 -8.991 3.712 1.00 31.53 N ATOM 424 CA ARG A 38 -24.768 -9.956 3.493 1.00 32.11 C ATOM 425 C ARG A 38 -23.581 -9.221 2.920 1.00 30.45 C ATOM 426 O ARG A 38 -23.530 -8.007 2.973 1.00 71.12 O ATOM 427 CB ARG A 38 -25.187 -11.018 2.465 1.00 13.21 C ATOM 428 CG ARG A 38 -26.350 -11.896 2.837 1.00 32.44 C ATOM 429 CD ARG A 38 -26.697 -12.825 1.686 1.00 45.34 C ATOM 430 NE ARG A 38 -27.866 -13.669 1.971 1.00 71.43 N ATOM 431 CZ ARG A 38 -28.728 -14.114 1.043 1.00 63.32 C ATOM 432 NH1 ARG A 38 -28.575 -13.759 -0.234 1.00 2.52 N ATOM 433 NH2 ARG A 38 -29.744 -14.898 1.401 1.00 2.12 N ATOM 0 H ARG A 38 -26.125 -8.481 2.871 1.00 31.53 H new ATOM 0 HA ARG A 38 -24.530 -10.434 4.443 1.00 32.11 H new ATOM 0 HB2 ARG A 38 -25.429 -10.511 1.531 1.00 13.21 H new ATOM 0 HB3 ARG A 38 -24.327 -11.658 2.267 1.00 13.21 H new ATOM 0 HG2 ARG A 38 -26.105 -12.480 3.724 1.00 32.44 H new ATOM 0 HG3 ARG A 38 -27.213 -11.280 3.090 1.00 32.44 H new ATOM 0 HD2 ARG A 38 -26.891 -12.232 0.792 1.00 45.34 H new ATOM 0 HD3 ARG A 38 -25.839 -13.461 1.467 1.00 45.34 H new ATOM 0 HE ARG A 38 -28.034 -13.935 2.941 1.00 71.43 H new ATOM 0 HH11 ARG A 38 -27.803 -13.150 -0.505 1.00 2.52 H new ATOM 0 HH12 ARG A 38 -29.230 -14.097 -0.939 1.00 2.52 H new ATOM 0 HH21 ARG A 38 -29.866 -15.159 2.379 1.00 2.12 H new ATOM 0 HH22 ARG A 38 -30.400 -15.237 0.697 1.00 2.12 H new ATOM 447 N THR A 39 -22.615 -9.947 2.425 1.00 31.32 N ATOM 448 CA THR A 39 -21.528 -9.357 1.704 1.00 42.23 C ATOM 449 C THR A 39 -21.147 -10.201 0.493 1.00 25.11 C ATOM 450 O THR A 39 -20.842 -11.396 0.629 1.00 22.34 O ATOM 451 CB THR A 39 -20.301 -9.166 2.589 1.00 2.43 C ATOM 452 OG1 THR A 39 -20.673 -8.379 3.692 1.00 53.22 O ATOM 453 CG2 THR A 39 -19.204 -8.444 1.831 1.00 63.32 C ATOM 0 H THR A 39 -22.562 -10.962 2.512 1.00 31.32 H new ATOM 0 HA THR A 39 -21.872 -8.379 1.367 1.00 42.23 H new ATOM 0 HB THR A 39 -19.931 -10.141 2.905 1.00 2.43 H new ATOM 0 HG1 THR A 39 -19.879 -7.941 4.064 1.00 53.22 H new ATOM 0 HG21 THR A 39 -18.337 -8.317 2.479 1.00 63.32 H new ATOM 0 HG22 THR A 39 -18.921 -9.029 0.956 1.00 63.32 H new ATOM 0 HG23 THR A 39 -19.565 -7.466 1.512 1.00 63.32 H new ATOM 461 N PRO A 40 -21.219 -9.602 -0.707 1.00 73.01 N ATOM 462 CA PRO A 40 -20.752 -10.221 -1.951 1.00 53.10 C ATOM 463 C PRO A 40 -19.270 -10.582 -1.855 1.00 32.41 C ATOM 464 O PRO A 40 -18.524 -9.978 -1.059 1.00 74.14 O ATOM 465 CB PRO A 40 -20.954 -9.123 -3.000 1.00 45.43 C ATOM 466 CG PRO A 40 -22.008 -8.256 -2.430 1.00 30.43 C ATOM 467 CD PRO A 40 -21.781 -8.262 -0.953 1.00 4.44 C ATOM 0 HA PRO A 40 -21.283 -11.144 -2.183 1.00 53.10 H new ATOM 0 HB2 PRO A 40 -20.033 -8.566 -3.174 1.00 45.43 H new ATOM 0 HB3 PRO A 40 -21.260 -9.541 -3.959 1.00 45.43 H new ATOM 0 HG2 PRO A 40 -21.943 -7.245 -2.832 1.00 30.43 H new ATOM 0 HG3 PRO A 40 -23.001 -8.634 -2.675 1.00 30.43 H new ATOM 0 HD2 PRO A 40 -21.093 -7.474 -0.648 1.00 4.44 H new ATOM 0 HD3 PRO A 40 -22.708 -8.106 -0.402 1.00 4.44 H new ATOM 475 N GLU A 41 -18.860 -11.577 -2.613 1.00 11.22 N ATOM 476 CA GLU A 41 -17.473 -12.015 -2.638 1.00 74.12 C ATOM 477 C GLU A 41 -16.550 -10.834 -2.969 1.00 13.14 C ATOM 478 O GLU A 41 -16.772 -10.100 -3.921 1.00 14.15 O ATOM 479 CB GLU A 41 -17.309 -13.116 -3.682 1.00 3.21 C ATOM 480 CG GLU A 41 -15.886 -13.597 -3.867 1.00 34.13 C ATOM 481 CD GLU A 41 -15.793 -14.689 -4.881 1.00 4.03 C ATOM 482 OE1 GLU A 41 -15.651 -14.397 -6.089 1.00 51.42 O ATOM 483 OE2 GLU A 41 -15.868 -15.872 -4.486 1.00 24.30 O ATOM 0 H GLU A 41 -19.475 -12.107 -3.230 1.00 11.22 H new ATOM 0 HA GLU A 41 -17.201 -12.403 -1.656 1.00 74.12 H new ATOM 0 HB2 GLU A 41 -17.932 -13.964 -3.398 1.00 3.21 H new ATOM 0 HB3 GLU A 41 -17.683 -12.751 -4.639 1.00 3.21 H new ATOM 0 HG2 GLU A 41 -15.258 -12.761 -4.175 1.00 34.13 H new ATOM 0 HG3 GLU A 41 -15.497 -13.953 -2.913 1.00 34.13 H new ATOM 490 N ILE A 42 -15.542 -10.658 -2.169 1.00 30.22 N ATOM 491 CA ILE A 42 -14.654 -9.538 -2.306 1.00 10.44 C ATOM 492 C ILE A 42 -13.288 -10.019 -2.753 1.00 53.04 C ATOM 493 O ILE A 42 -12.800 -11.060 -2.293 1.00 33.13 O ATOM 494 CB ILE A 42 -14.496 -8.784 -0.952 1.00 35.13 C ATOM 495 CG1 ILE A 42 -15.851 -8.345 -0.406 1.00 11.25 C ATOM 496 CG2 ILE A 42 -13.598 -7.583 -1.115 1.00 15.11 C ATOM 497 CD1 ILE A 42 -15.772 -7.606 0.921 1.00 30.34 C ATOM 0 H ILE A 42 -15.310 -11.287 -1.400 1.00 30.22 H new ATOM 0 HA ILE A 42 -15.079 -8.860 -3.046 1.00 10.44 H new ATOM 0 HB ILE A 42 -14.043 -9.474 -0.240 1.00 35.13 H new ATOM 0 HG12 ILE A 42 -16.336 -7.702 -1.140 1.00 11.25 H new ATOM 0 HG13 ILE A 42 -16.484 -9.224 -0.284 1.00 11.25 H new ATOM 0 HG21 ILE A 42 -13.500 -7.069 -0.159 1.00 15.11 H new ATOM 0 HG22 ILE A 42 -12.615 -7.907 -1.455 1.00 15.11 H new ATOM 0 HG23 ILE A 42 -14.030 -6.903 -1.849 1.00 15.11 H new ATOM 0 HD11 ILE A 42 -16.776 -7.327 1.243 1.00 30.34 H new ATOM 0 HD12 ILE A 42 -15.317 -8.253 1.671 1.00 30.34 H new ATOM 0 HD13 ILE A 42 -15.167 -6.707 0.802 1.00 30.34 H new ATOM 509 N VAL A 43 -12.690 -9.288 -3.638 1.00 42.10 N ATOM 510 CA VAL A 43 -11.365 -9.585 -4.086 1.00 61.54 C ATOM 511 C VAL A 43 -10.492 -8.335 -3.960 1.00 30.32 C ATOM 512 O VAL A 43 -10.984 -7.206 -4.107 1.00 52.15 O ATOM 513 CB VAL A 43 -11.354 -10.109 -5.554 1.00 32.32 C ATOM 514 CG1 VAL A 43 -11.885 -9.071 -6.517 1.00 33.24 C ATOM 515 CG2 VAL A 43 -9.970 -10.554 -5.959 1.00 41.22 C ATOM 0 H VAL A 43 -13.107 -8.465 -4.073 1.00 42.10 H new ATOM 0 HA VAL A 43 -10.963 -10.379 -3.457 1.00 61.54 H new ATOM 0 HB VAL A 43 -12.017 -10.973 -5.597 1.00 32.32 H new ATOM 0 HG11 VAL A 43 -11.863 -9.470 -7.531 1.00 33.24 H new ATOM 0 HG12 VAL A 43 -12.911 -8.817 -6.249 1.00 33.24 H new ATOM 0 HG13 VAL A 43 -11.265 -8.176 -6.466 1.00 33.24 H new ATOM 0 HG21 VAL A 43 -9.990 -10.915 -6.987 1.00 41.22 H new ATOM 0 HG22 VAL A 43 -9.281 -9.713 -5.883 1.00 41.22 H new ATOM 0 HG23 VAL A 43 -9.638 -11.356 -5.299 1.00 41.22 H new ATOM 525 N SER A 44 -9.241 -8.530 -3.653 1.00 74.02 N ATOM 526 CA SER A 44 -8.297 -7.451 -3.568 1.00 61.53 C ATOM 527 C SER A 44 -7.879 -7.062 -4.991 1.00 50.51 C ATOM 528 O SER A 44 -7.386 -7.905 -5.754 1.00 72.21 O ATOM 529 CB SER A 44 -7.100 -7.937 -2.779 1.00 63.51 C ATOM 530 OG SER A 44 -7.510 -8.400 -1.492 1.00 65.12 O ATOM 0 H SER A 44 -8.844 -9.448 -3.453 1.00 74.02 H new ATOM 0 HA SER A 44 -8.728 -6.581 -3.073 1.00 61.53 H new ATOM 0 HB2 SER A 44 -6.601 -8.741 -3.320 1.00 63.51 H new ATOM 0 HB3 SER A 44 -6.376 -7.130 -2.669 1.00 63.51 H new ATOM 0 HG SER A 44 -6.727 -8.713 -0.992 1.00 65.12 H new ATOM 536 N ALA A 45 -8.078 -5.819 -5.353 1.00 34.24 N ATOM 537 CA ALA A 45 -7.797 -5.385 -6.698 1.00 34.04 C ATOM 538 C ALA A 45 -7.190 -4.009 -6.738 1.00 50.34 C ATOM 539 O ALA A 45 -7.293 -3.226 -5.797 1.00 24.03 O ATOM 540 CB ALA A 45 -9.058 -5.417 -7.530 1.00 61.14 C ATOM 0 H ALA A 45 -8.434 -5.090 -4.735 1.00 34.24 H new ATOM 0 HA ALA A 45 -7.065 -6.077 -7.114 1.00 34.04 H new ATOM 0 HB1 ALA A 45 -8.833 -5.087 -8.544 1.00 61.14 H new ATOM 0 HB2 ALA A 45 -9.450 -6.434 -7.558 1.00 61.14 H new ATOM 0 HB3 ALA A 45 -9.802 -4.753 -7.089 1.00 61.14 H new ATOM 546 N THR A 46 -6.550 -3.735 -7.813 1.00 43.50 N ATOM 547 CA THR A 46 -5.951 -2.478 -8.055 1.00 73.22 C ATOM 548 C THR A 46 -6.569 -1.879 -9.305 1.00 42.44 C ATOM 549 O THR A 46 -6.668 -2.545 -10.323 1.00 44.42 O ATOM 550 CB THR A 46 -4.439 -2.644 -8.272 1.00 22.41 C ATOM 551 OG1 THR A 46 -3.875 -3.322 -7.142 1.00 4.24 O ATOM 552 CG2 THR A 46 -3.761 -1.291 -8.430 1.00 40.13 C ATOM 0 H THR A 46 -6.425 -4.403 -8.574 1.00 43.50 H new ATOM 0 HA THR A 46 -6.116 -1.826 -7.197 1.00 73.22 H new ATOM 0 HB THR A 46 -4.279 -3.222 -9.182 1.00 22.41 H new ATOM 0 HG1 THR A 46 -2.910 -3.432 -7.275 1.00 4.24 H new ATOM 0 HG21 THR A 46 -2.691 -1.436 -8.582 1.00 40.13 H new ATOM 0 HG22 THR A 46 -4.183 -0.771 -9.290 1.00 40.13 H new ATOM 0 HG23 THR A 46 -3.922 -0.696 -7.531 1.00 40.13 H new ATOM 560 N LEU A 47 -7.001 -0.667 -9.207 1.00 32.10 N ATOM 561 CA LEU A 47 -7.547 0.044 -10.322 1.00 52.12 C ATOM 562 C LEU A 47 -6.468 0.957 -10.902 1.00 65.34 C ATOM 563 O LEU A 47 -6.121 1.969 -10.295 1.00 14.20 O ATOM 564 CB LEU A 47 -8.773 0.856 -9.869 1.00 64.35 C ATOM 565 CG LEU A 47 -9.433 1.749 -10.912 1.00 32.34 C ATOM 566 CD1 LEU A 47 -9.860 0.949 -12.126 1.00 43.25 C ATOM 567 CD2 LEU A 47 -10.625 2.477 -10.311 1.00 60.23 C ATOM 0 H LEU A 47 -6.986 -0.131 -8.339 1.00 32.10 H new ATOM 0 HA LEU A 47 -7.871 -0.655 -11.094 1.00 52.12 H new ATOM 0 HB2 LEU A 47 -9.523 0.158 -9.497 1.00 64.35 H new ATOM 0 HB3 LEU A 47 -8.474 1.481 -9.028 1.00 64.35 H new ATOM 0 HG LEU A 47 -8.699 2.487 -11.236 1.00 32.34 H new ATOM 0 HD11 LEU A 47 -10.328 1.613 -12.853 1.00 43.25 H new ATOM 0 HD12 LEU A 47 -8.987 0.476 -12.576 1.00 43.25 H new ATOM 0 HD13 LEU A 47 -10.573 0.182 -11.824 1.00 43.25 H new ATOM 0 HD21 LEU A 47 -11.085 3.110 -11.070 1.00 60.23 H new ATOM 0 HD22 LEU A 47 -11.354 1.749 -9.955 1.00 60.23 H new ATOM 0 HD23 LEU A 47 -10.292 3.094 -9.477 1.00 60.23 H new ATOM 579 N PRO A 48 -5.873 0.582 -12.041 1.00 72.02 N ATOM 580 CA PRO A 48 -4.833 1.366 -12.670 1.00 13.21 C ATOM 581 C PRO A 48 -5.415 2.493 -13.514 1.00 50.51 C ATOM 582 O PRO A 48 -6.516 2.370 -14.058 1.00 22.11 O ATOM 583 CB PRO A 48 -4.093 0.356 -13.568 1.00 32.12 C ATOM 584 CG PRO A 48 -4.845 -0.942 -13.451 1.00 33.34 C ATOM 585 CD PRO A 48 -6.164 -0.628 -12.814 1.00 11.33 C ATOM 0 HA PRO A 48 -4.184 1.845 -11.936 1.00 13.21 H new ATOM 0 HB2 PRO A 48 -4.069 0.700 -14.602 1.00 32.12 H new ATOM 0 HB3 PRO A 48 -3.058 0.236 -13.248 1.00 32.12 H new ATOM 0 HG2 PRO A 48 -4.989 -1.394 -14.432 1.00 33.34 H new ATOM 0 HG3 PRO A 48 -4.287 -1.658 -12.848 1.00 33.34 H new ATOM 0 HD2 PRO A 48 -6.941 -0.455 -13.558 1.00 11.33 H new ATOM 0 HD3 PRO A 48 -6.509 -1.442 -12.176 1.00 11.33 H new ATOM 593 N GLY A 49 -4.688 3.587 -13.601 1.00 63.34 N ATOM 594 CA GLY A 49 -5.127 4.705 -14.395 1.00 52.11 C ATOM 595 C GLY A 49 -6.072 5.603 -13.642 1.00 3.31 C ATOM 596 O GLY A 49 -6.768 6.419 -14.232 1.00 3.34 O ATOM 0 H GLY A 49 -3.793 3.722 -13.131 1.00 63.34 H new ATOM 0 HA2 GLY A 49 -4.260 5.282 -14.717 1.00 52.11 H new ATOM 0 HA3 GLY A 49 -5.618 4.338 -15.296 1.00 52.11 H new ATOM 600 N PHE A 50 -6.090 5.459 -12.342 1.00 14.51 N ATOM 601 CA PHE A 50 -6.947 6.247 -11.475 1.00 31.04 C ATOM 602 C PHE A 50 -6.214 6.489 -10.202 1.00 53.33 C ATOM 603 O PHE A 50 -5.289 5.773 -9.904 1.00 21.05 O ATOM 604 CB PHE A 50 -8.273 5.512 -11.164 1.00 20.25 C ATOM 605 CG PHE A 50 -9.247 5.400 -12.314 1.00 23.20 C ATOM 606 CD1 PHE A 50 -9.161 4.376 -13.240 1.00 43.22 C ATOM 607 CD2 PHE A 50 -10.257 6.325 -12.452 1.00 42.20 C ATOM 608 CE1 PHE A 50 -10.065 4.289 -14.277 1.00 13.10 C ATOM 609 CE2 PHE A 50 -11.159 6.246 -13.486 1.00 0.23 C ATOM 610 CZ PHE A 50 -11.064 5.228 -14.399 1.00 51.02 C ATOM 0 H PHE A 50 -5.507 4.786 -11.844 1.00 14.51 H new ATOM 0 HA PHE A 50 -7.194 7.183 -11.977 1.00 31.04 H new ATOM 0 HB2 PHE A 50 -8.036 4.507 -10.814 1.00 20.25 H new ATOM 0 HB3 PHE A 50 -8.768 6.028 -10.342 1.00 20.25 H new ATOM 0 HD1 PHE A 50 -8.378 3.638 -13.150 1.00 43.22 H new ATOM 0 HD2 PHE A 50 -10.342 7.128 -11.734 1.00 42.20 H new ATOM 0 HE1 PHE A 50 -9.989 3.484 -14.993 1.00 13.10 H new ATOM 0 HE2 PHE A 50 -11.941 6.985 -13.579 1.00 0.23 H new ATOM 0 HZ PHE A 50 -11.772 5.163 -15.212 1.00 51.02 H new ATOM 620 N GLN A 51 -6.600 7.477 -9.451 1.00 20.22 N ATOM 621 CA GLN A 51 -5.965 7.683 -8.177 1.00 33.34 C ATOM 622 C GLN A 51 -6.951 8.052 -7.135 1.00 71.53 C ATOM 623 O GLN A 51 -8.091 8.439 -7.432 1.00 61.31 O ATOM 624 CB GLN A 51 -4.818 8.691 -8.188 1.00 61.01 C ATOM 625 CG GLN A 51 -5.210 10.056 -8.537 1.00 34.51 C ATOM 626 CD GLN A 51 -4.044 11.047 -8.457 1.00 41.14 C ATOM 627 OE1 GLN A 51 -3.800 11.658 -7.415 1.00 34.33 O ATOM 628 NE2 GLN A 51 -3.319 11.207 -9.529 1.00 21.45 N ATOM 0 H GLN A 51 -7.336 8.142 -9.688 1.00 20.22 H new ATOM 0 HA GLN A 51 -5.517 6.719 -7.938 1.00 33.34 H new ATOM 0 HB2 GLN A 51 -4.352 8.702 -7.203 1.00 61.01 H new ATOM 0 HB3 GLN A 51 -4.061 8.352 -8.895 1.00 61.01 H new ATOM 0 HG2 GLN A 51 -5.620 10.065 -9.547 1.00 34.51 H new ATOM 0 HG3 GLN A 51 -6.006 10.383 -7.868 1.00 34.51 H new ATOM 0 HE21 GLN A 51 -3.543 10.689 -10.378 1.00 21.45 H new ATOM 0 HE22 GLN A 51 -2.528 11.851 -9.518 1.00 21.45 H new ATOM 637 N ARG A 52 -6.511 7.927 -5.935 1.00 52.10 N ATOM 638 CA ARG A 52 -7.310 8.156 -4.780 1.00 72.52 C ATOM 639 C ARG A 52 -6.942 9.425 -4.056 1.00 14.13 C ATOM 640 O ARG A 52 -5.775 9.689 -3.764 1.00 71.34 O ATOM 641 CB ARG A 52 -7.377 6.905 -3.857 1.00 72.13 C ATOM 642 CG ARG A 52 -6.066 6.107 -3.659 1.00 52.44 C ATOM 643 CD ARG A 52 -4.934 6.926 -3.088 1.00 41.54 C ATOM 644 NE ARG A 52 -3.744 6.116 -2.790 1.00 15.25 N ATOM 645 CZ ARG A 52 -2.486 6.593 -2.741 1.00 13.50 C ATOM 646 NH1 ARG A 52 -2.244 7.867 -3.054 1.00 62.15 N ATOM 647 NH2 ARG A 52 -1.477 5.792 -2.397 1.00 41.23 N ATOM 0 H ARG A 52 -5.552 7.653 -5.720 1.00 52.10 H new ATOM 0 HA ARG A 52 -8.329 8.320 -5.130 1.00 72.52 H new ATOM 0 HB2 ARG A 52 -7.730 7.226 -2.877 1.00 72.13 H new ATOM 0 HB3 ARG A 52 -8.129 6.227 -4.260 1.00 72.13 H new ATOM 0 HG2 ARG A 52 -6.262 5.264 -2.997 1.00 52.44 H new ATOM 0 HG3 ARG A 52 -5.755 5.694 -4.618 1.00 52.44 H new ATOM 0 HD2 ARG A 52 -4.666 7.712 -3.795 1.00 41.54 H new ATOM 0 HD3 ARG A 52 -5.271 7.419 -2.176 1.00 41.54 H new ATOM 0 HE ARG A 52 -3.881 5.122 -2.607 1.00 15.25 H new ATOM 0 HH11 ARG A 52 -3.012 8.479 -3.330 1.00 62.15 H new ATOM 0 HH12 ARG A 52 -1.291 8.229 -3.017 1.00 62.15 H new ATOM 0 HH21 ARG A 52 -1.657 4.814 -2.170 1.00 41.23 H new ATOM 0 HH22 ARG A 52 -0.525 6.157 -2.361 1.00 41.23 H new ATOM 661 N PHE A 53 -7.932 10.207 -3.784 1.00 15.43 N ATOM 662 CA PHE A 53 -7.755 11.465 -3.135 1.00 74.13 C ATOM 663 C PHE A 53 -8.288 11.397 -1.737 1.00 5.02 C ATOM 664 O PHE A 53 -9.081 10.528 -1.424 1.00 20.15 O ATOM 665 CB PHE A 53 -8.497 12.557 -3.904 1.00 33.55 C ATOM 666 CG PHE A 53 -7.902 12.915 -5.238 1.00 75.34 C ATOM 667 CD1 PHE A 53 -7.746 11.977 -6.244 1.00 62.34 C ATOM 668 CD2 PHE A 53 -7.521 14.212 -5.489 1.00 74.04 C ATOM 669 CE1 PHE A 53 -7.225 12.336 -7.446 1.00 23.32 C ATOM 670 CE2 PHE A 53 -6.993 14.572 -6.699 1.00 5.44 C ATOM 671 CZ PHE A 53 -6.844 13.634 -7.681 1.00 44.22 C ATOM 0 H PHE A 53 -8.902 9.988 -4.009 1.00 15.43 H new ATOM 0 HA PHE A 53 -6.691 11.699 -3.108 1.00 74.13 H new ATOM 0 HB2 PHE A 53 -9.527 12.235 -4.058 1.00 33.55 H new ATOM 0 HB3 PHE A 53 -8.532 13.455 -3.287 1.00 33.55 H new ATOM 0 HD1 PHE A 53 -8.041 10.952 -6.072 1.00 62.34 H new ATOM 0 HD2 PHE A 53 -7.640 14.959 -4.718 1.00 74.04 H new ATOM 0 HE1 PHE A 53 -7.110 11.595 -8.223 1.00 23.32 H new ATOM 0 HE2 PHE A 53 -6.695 15.595 -6.877 1.00 5.44 H new ATOM 0 HZ PHE A 53 -6.428 13.912 -8.638 1.00 44.22 H new ATOM 681 N ARG A 54 -7.823 12.277 -0.895 1.00 73.11 N ATOM 682 CA ARG A 54 -8.326 12.402 0.455 1.00 11.14 C ATOM 683 C ARG A 54 -8.757 13.819 0.720 1.00 43.44 C ATOM 684 O ARG A 54 -8.049 14.759 0.359 1.00 30.13 O ATOM 685 CB ARG A 54 -7.343 11.897 1.554 1.00 62.11 C ATOM 686 CG ARG A 54 -7.330 10.388 1.771 1.00 41.24 C ATOM 687 CD ARG A 54 -6.694 9.619 0.630 1.00 73.30 C ATOM 688 NE ARG A 54 -6.804 8.165 0.843 1.00 22.41 N ATOM 689 CZ ARG A 54 -5.918 7.247 0.449 1.00 24.32 C ATOM 690 NH1 ARG A 54 -4.777 7.613 -0.107 1.00 70.45 N ATOM 691 NH2 ARG A 54 -6.167 5.962 0.650 1.00 50.21 N ATOM 0 H ARG A 54 -7.078 12.936 -1.123 1.00 73.11 H new ATOM 0 HA ARG A 54 -9.189 11.739 0.520 1.00 11.14 H new ATOM 0 HB2 ARG A 54 -6.335 12.219 1.293 1.00 62.11 H new ATOM 0 HB3 ARG A 54 -7.598 12.381 2.497 1.00 62.11 H new ATOM 0 HG2 ARG A 54 -6.792 10.166 2.693 1.00 41.24 H new ATOM 0 HG3 ARG A 54 -8.354 10.040 1.907 1.00 41.24 H new ATOM 0 HD2 ARG A 54 -7.177 9.890 -0.309 1.00 73.30 H new ATOM 0 HD3 ARG A 54 -5.644 9.898 0.540 1.00 73.30 H new ATOM 0 HE ARG A 54 -7.632 7.830 1.336 1.00 22.41 H new ATOM 0 HH11 ARG A 54 -4.568 8.603 -0.238 1.00 70.45 H new ATOM 0 HH12 ARG A 54 -4.105 6.906 -0.405 1.00 70.45 H new ATOM 0 HH21 ARG A 54 -7.034 5.676 1.105 1.00 50.21 H new ATOM 0 HH22 ARG A 54 -5.492 5.259 0.350 1.00 50.21 H new ATOM 796 N TYR A 60 -15.262 14.102 -0.595 1.00 30.42 N ATOM 797 CA TYR A 60 -14.916 12.893 0.089 1.00 64.10 C ATOM 798 C TYR A 60 -13.657 12.353 -0.582 1.00 43.14 C ATOM 799 O TYR A 60 -13.204 12.940 -1.571 1.00 21.52 O ATOM 800 CB TYR A 60 -16.063 11.888 -0.149 1.00 50.01 C ATOM 801 CG TYR A 60 -17.454 12.480 -0.020 1.00 55.41 C ATOM 802 CD1 TYR A 60 -18.085 13.035 -1.136 1.00 11.33 C ATOM 803 CD2 TYR A 60 -18.128 12.493 1.186 1.00 63.41 C ATOM 804 CE1 TYR A 60 -19.340 13.580 -1.046 1.00 34.23 C ATOM 805 CE2 TYR A 60 -19.393 13.039 1.283 1.00 63.05 C ATOM 806 CZ TYR A 60 -19.992 13.581 0.162 1.00 45.25 C ATOM 807 OH TYR A 60 -21.251 14.134 0.254 1.00 70.22 O ATOM 0 HA TYR A 60 -14.757 13.053 1.155 1.00 64.10 H new ATOM 0 HB2 TYR A 60 -15.954 11.461 -1.146 1.00 50.01 H new ATOM 0 HB3 TYR A 60 -15.964 11.067 0.562 1.00 50.01 H new ATOM 0 HD1 TYR A 60 -17.575 13.035 -2.088 1.00 11.33 H new ATOM 0 HD2 TYR A 60 -17.660 12.071 2.063 1.00 63.41 H new ATOM 0 HE1 TYR A 60 -19.812 14.005 -1.919 1.00 34.23 H new ATOM 0 HE2 TYR A 60 -19.911 13.042 2.230 1.00 63.05 H new ATOM 0 HH TYR A 60 -21.880 13.605 -0.280 1.00 70.22 H new ATOM 817 N PRO A 61 -13.056 11.259 -0.075 1.00 63.12 N ATOM 818 CA PRO A 61 -11.957 10.602 -0.765 1.00 33.14 C ATOM 819 C PRO A 61 -12.464 9.947 -2.053 1.00 61.30 C ATOM 820 O PRO A 61 -12.926 8.811 -2.044 1.00 40.23 O ATOM 821 CB PRO A 61 -11.469 9.529 0.235 1.00 54.14 C ATOM 822 CG PRO A 61 -12.063 9.929 1.537 1.00 14.23 C ATOM 823 CD PRO A 61 -13.358 10.602 1.203 1.00 20.35 C ATOM 0 HA PRO A 61 -11.164 11.292 -1.053 1.00 33.14 H new ATOM 0 HB2 PRO A 61 -11.798 8.533 -0.061 1.00 54.14 H new ATOM 0 HB3 PRO A 61 -10.381 9.503 0.288 1.00 54.14 H new ATOM 0 HG2 PRO A 61 -12.226 9.061 2.176 1.00 14.23 H new ATOM 0 HG3 PRO A 61 -11.400 10.603 2.079 1.00 14.23 H new ATOM 0 HD2 PRO A 61 -14.174 9.886 1.108 1.00 20.35 H new ATOM 0 HD3 PRO A 61 -13.651 11.320 1.969 1.00 20.35 H new ATOM 831 N CYS A 62 -12.444 10.691 -3.123 1.00 63.21 N ATOM 832 CA CYS A 62 -12.980 10.236 -4.373 1.00 24.22 C ATOM 833 C CYS A 62 -11.898 9.743 -5.326 1.00 23.43 C ATOM 834 O CYS A 62 -10.698 9.998 -5.122 1.00 52.25 O ATOM 835 CB CYS A 62 -13.833 11.348 -4.992 1.00 63.41 C ATOM 836 SG CYS A 62 -12.978 12.914 -5.196 1.00 11.41 S ATOM 0 H CYS A 62 -12.054 11.633 -3.152 1.00 63.21 H new ATOM 0 HA CYS A 62 -13.614 9.370 -4.183 1.00 24.22 H new ATOM 0 HB2 CYS A 62 -14.192 11.014 -5.966 1.00 63.41 H new ATOM 0 HB3 CYS A 62 -14.711 11.506 -4.366 1.00 63.41 H new ATOM 0 HG CYS A 62 -11.974 12.758 -6.007 1.00 11.41 H new ATOM 842 N ILE A 63 -12.332 9.028 -6.349 1.00 24.44 N ATOM 843 CA ILE A 63 -11.453 8.457 -7.348 1.00 45.24 C ATOM 844 C ILE A 63 -11.663 9.199 -8.649 1.00 5.40 C ATOM 845 O ILE A 63 -12.792 9.568 -8.969 1.00 0.20 O ATOM 846 CB ILE A 63 -11.802 6.953 -7.581 1.00 73.43 C ATOM 847 CG1 ILE A 63 -11.736 6.161 -6.276 1.00 72.42 C ATOM 848 CG2 ILE A 63 -10.910 6.313 -8.642 1.00 33.54 C ATOM 849 CD1 ILE A 63 -10.407 6.220 -5.564 1.00 51.14 C ATOM 0 H ILE A 63 -13.319 8.826 -6.509 1.00 24.44 H new ATOM 0 HA ILE A 63 -10.421 8.540 -7.008 1.00 45.24 H new ATOM 0 HB ILE A 63 -12.826 6.922 -7.952 1.00 73.43 H new ATOM 0 HG12 ILE A 63 -12.509 6.532 -5.603 1.00 72.42 H new ATOM 0 HG13 ILE A 63 -11.972 5.118 -6.488 1.00 72.42 H new ATOM 0 HG21 ILE A 63 -11.190 5.267 -8.770 1.00 33.54 H new ATOM 0 HG22 ILE A 63 -11.034 6.840 -9.588 1.00 33.54 H new ATOM 0 HG23 ILE A 63 -9.868 6.374 -8.327 1.00 33.54 H new ATOM 0 HD11 ILE A 63 -10.457 5.629 -4.650 1.00 51.14 H new ATOM 0 HD12 ILE A 63 -9.628 5.819 -6.213 1.00 51.14 H new ATOM 0 HD13 ILE A 63 -10.174 7.255 -5.314 1.00 51.14 H new ATOM 861 N VAL A 64 -10.598 9.454 -9.369 1.00 73.02 N ATOM 862 CA VAL A 64 -10.676 10.092 -10.679 1.00 53.42 C ATOM 863 C VAL A 64 -9.569 9.507 -11.558 1.00 2.21 C ATOM 864 O VAL A 64 -8.562 8.992 -11.024 1.00 12.32 O ATOM 865 CB VAL A 64 -10.477 11.653 -10.613 1.00 51.22 C ATOM 866 CG1 VAL A 64 -11.501 12.325 -9.727 1.00 21.12 C ATOM 867 CG2 VAL A 64 -9.072 12.020 -10.175 1.00 42.53 C ATOM 0 H VAL A 64 -9.649 9.229 -9.072 1.00 73.02 H new ATOM 0 HA VAL A 64 -11.671 9.903 -11.081 1.00 53.42 H new ATOM 0 HB VAL A 64 -10.626 12.024 -11.627 1.00 51.22 H new ATOM 0 HG11 VAL A 64 -11.322 13.400 -9.714 1.00 21.12 H new ATOM 0 HG12 VAL A 64 -12.501 12.129 -10.113 1.00 21.12 H new ATOM 0 HG13 VAL A 64 -11.420 11.932 -8.714 1.00 21.12 H new ATOM 0 HG21 VAL A 64 -8.973 13.105 -10.141 1.00 42.53 H new ATOM 0 HG22 VAL A 64 -8.880 11.607 -9.185 1.00 42.53 H new ATOM 0 HG23 VAL A 64 -8.352 11.612 -10.884 1.00 42.53 H new ATOM 877 N PRO A 65 -9.745 9.531 -12.896 1.00 64.20 N ATOM 878 CA PRO A 65 -8.726 9.058 -13.833 1.00 2.14 C ATOM 879 C PRO A 65 -7.392 9.789 -13.648 1.00 64.14 C ATOM 880 O PRO A 65 -7.334 11.031 -13.564 1.00 11.02 O ATOM 881 CB PRO A 65 -9.313 9.331 -15.223 1.00 24.22 C ATOM 882 CG PRO A 65 -10.521 10.178 -15.001 1.00 22.25 C ATOM 883 CD PRO A 65 -10.960 9.979 -13.583 1.00 2.44 C ATOM 0 HA PRO A 65 -8.501 8.003 -13.676 1.00 2.14 H new ATOM 0 HB2 PRO A 65 -8.590 9.842 -15.858 1.00 24.22 H new ATOM 0 HB3 PRO A 65 -9.576 8.400 -15.725 1.00 24.22 H new ATOM 0 HG2 PRO A 65 -10.292 11.227 -15.187 1.00 22.25 H new ATOM 0 HG3 PRO A 65 -11.317 9.898 -15.691 1.00 22.25 H new ATOM 0 HD2 PRO A 65 -11.345 10.903 -13.151 1.00 2.44 H new ATOM 0 HD3 PRO A 65 -11.756 9.237 -13.512 1.00 2.44 H new ATOM 891 N SER A 66 -6.344 9.023 -13.579 1.00 24.52 N ATOM 892 CA SER A 66 -5.029 9.527 -13.353 1.00 3.50 C ATOM 893 C SER A 66 -4.131 9.061 -14.463 1.00 20.23 C ATOM 894 O SER A 66 -4.266 7.928 -14.934 1.00 3.40 O ATOM 895 CB SER A 66 -4.507 8.994 -12.022 1.00 34.44 C ATOM 896 OG SER A 66 -3.246 9.539 -11.697 1.00 13.23 O ATOM 0 H SER A 66 -6.384 8.009 -13.681 1.00 24.52 H new ATOM 0 HA SER A 66 -5.048 10.616 -13.326 1.00 3.50 H new ATOM 0 HB2 SER A 66 -5.219 9.230 -11.232 1.00 34.44 H new ATOM 0 HB3 SER A 66 -4.432 7.908 -12.070 1.00 34.44 H new ATOM 0 HG SER A 66 -3.131 10.396 -12.158 1.00 13.23 H new ATOM 902 N GLU A 67 -3.249 9.912 -14.914 1.00 14.25 N ATOM 903 CA GLU A 67 -2.293 9.516 -15.921 1.00 24.13 C ATOM 904 C GLU A 67 -1.235 8.639 -15.297 1.00 23.40 C ATOM 905 O GLU A 67 -0.759 7.678 -15.907 1.00 15.21 O ATOM 906 CB GLU A 67 -1.661 10.716 -16.576 1.00 14.43 C ATOM 907 CG GLU A 67 -2.629 11.655 -17.257 1.00 54.54 C ATOM 908 CD GLU A 67 -1.919 12.840 -17.836 1.00 25.31 C ATOM 909 OE1 GLU A 67 -1.732 13.842 -17.109 1.00 1.25 O ATOM 910 OE2 GLU A 67 -1.497 12.780 -19.010 1.00 70.04 O ATOM 0 H GLU A 67 -3.170 10.880 -14.604 1.00 14.25 H new ATOM 0 HA GLU A 67 -2.818 8.955 -16.695 1.00 24.13 H new ATOM 0 HB2 GLU A 67 -1.107 11.274 -15.821 1.00 14.43 H new ATOM 0 HB3 GLU A 67 -0.936 10.369 -17.312 1.00 14.43 H new ATOM 0 HG2 GLU A 67 -3.160 11.124 -18.047 1.00 54.54 H new ATOM 0 HG3 GLU A 67 -3.378 11.991 -16.540 1.00 54.54 H new ATOM 917 N LYS A 68 -0.872 8.967 -14.085 1.00 33.05 N ATOM 918 CA LYS A 68 0.070 8.190 -13.338 1.00 4.32 C ATOM 919 C LYS A 68 -0.462 7.911 -11.963 1.00 24.54 C ATOM 920 O LYS A 68 -0.213 8.664 -11.014 1.00 0.14 O ATOM 921 CB LYS A 68 1.433 8.864 -13.249 1.00 23.13 C ATOM 922 CG LYS A 68 2.114 9.039 -14.535 1.00 75.42 C ATOM 923 CD LYS A 68 3.411 9.717 -14.304 1.00 40.41 C ATOM 924 CE LYS A 68 4.222 9.698 -15.535 1.00 14.22 C ATOM 925 NZ LYS A 68 3.560 10.383 -16.664 1.00 51.45 N ATOM 0 H LYS A 68 -1.226 9.785 -13.590 1.00 33.05 H new ATOM 0 HA LYS A 68 0.209 7.249 -13.871 1.00 4.32 H new ATOM 0 HB2 LYS A 68 1.310 9.841 -12.782 1.00 23.13 H new ATOM 0 HB3 LYS A 68 2.072 8.275 -12.592 1.00 23.13 H new ATOM 0 HG2 LYS A 68 2.274 8.072 -15.011 1.00 75.42 H new ATOM 0 HG3 LYS A 68 1.496 9.629 -15.212 1.00 75.42 H new ATOM 0 HD2 LYS A 68 3.240 10.746 -13.988 1.00 40.41 H new ATOM 0 HD3 LYS A 68 3.950 9.221 -13.497 1.00 40.41 H new ATOM 0 HE2 LYS A 68 5.183 10.174 -15.340 1.00 14.22 H new ATOM 0 HE3 LYS A 68 4.429 8.665 -15.813 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 4.248 10.535 -17.429 1.00 51.45 H new ATOM 0 HZ2 LYS A 68 2.776 9.796 -17.015 1.00 51.45 H new ATOM 0 HZ3 LYS A 68 3.189 11.300 -16.344 1.00 51.45 H new ATOM 939 N GLY A 69 -1.287 6.912 -11.867 1.00 65.55 N ATOM 940 CA GLY A 69 -1.779 6.520 -10.572 1.00 52.35 C ATOM 941 C GLY A 69 -2.460 5.187 -10.589 1.00 70.30 C ATOM 942 O GLY A 69 -2.807 4.669 -11.666 1.00 15.23 O ATOM 0 H GLY A 69 -1.631 6.359 -12.652 1.00 65.55 H new ATOM 0 HA2 GLY A 69 -0.948 6.489 -9.867 1.00 52.35 H new ATOM 0 HA3 GLY A 69 -2.477 7.275 -10.210 1.00 52.35 H new ATOM 946 N GLU A 70 -2.644 4.627 -9.421 1.00 34.33 N ATOM 947 CA GLU A 70 -3.355 3.389 -9.253 1.00 72.40 C ATOM 948 C GLU A 70 -4.061 3.407 -7.905 1.00 14.13 C ATOM 949 O GLU A 70 -3.588 4.038 -6.959 1.00 31.14 O ATOM 950 CB GLU A 70 -2.433 2.149 -9.381 1.00 62.22 C ATOM 951 CG GLU A 70 -1.365 1.950 -8.277 1.00 20.41 C ATOM 952 CD GLU A 70 -0.351 3.070 -8.168 1.00 14.31 C ATOM 953 OE1 GLU A 70 0.602 3.104 -8.967 1.00 54.03 O ATOM 954 OE2 GLU A 70 -0.483 3.917 -7.271 1.00 64.24 O ATOM 0 H GLU A 70 -2.298 5.025 -8.548 1.00 34.33 H new ATOM 0 HA GLU A 70 -4.087 3.303 -10.056 1.00 72.40 H new ATOM 0 HB2 GLU A 70 -3.063 1.260 -9.407 1.00 62.22 H new ATOM 0 HB3 GLU A 70 -1.921 2.205 -10.342 1.00 62.22 H new ATOM 0 HG2 GLU A 70 -1.870 1.841 -7.317 1.00 20.41 H new ATOM 0 HG3 GLU A 70 -0.836 1.016 -8.467 1.00 20.41 H new ATOM 961 N VAL A 71 -5.185 2.762 -7.822 1.00 20.25 N ATOM 962 CA VAL A 71 -5.949 2.729 -6.599 1.00 14.21 C ATOM 963 C VAL A 71 -6.040 1.300 -6.099 1.00 45.21 C ATOM 964 O VAL A 71 -6.497 0.419 -6.815 1.00 45.44 O ATOM 965 CB VAL A 71 -7.385 3.280 -6.813 1.00 62.44 C ATOM 966 CG1 VAL A 71 -8.146 3.315 -5.508 1.00 51.45 C ATOM 967 CG2 VAL A 71 -7.356 4.658 -7.444 1.00 63.33 C ATOM 0 H VAL A 71 -5.603 2.243 -8.594 1.00 20.25 H new ATOM 0 HA VAL A 71 -5.442 3.358 -5.868 1.00 14.21 H new ATOM 0 HB VAL A 71 -7.900 2.605 -7.497 1.00 62.44 H new ATOM 0 HG11 VAL A 71 -9.149 3.704 -5.682 1.00 51.45 H new ATOM 0 HG12 VAL A 71 -8.214 2.307 -5.099 1.00 51.45 H new ATOM 0 HG13 VAL A 71 -7.625 3.959 -4.800 1.00 51.45 H new ATOM 0 HG21 VAL A 71 -8.376 5.017 -7.581 1.00 63.33 H new ATOM 0 HG22 VAL A 71 -6.814 5.345 -6.794 1.00 63.33 H new ATOM 0 HG23 VAL A 71 -6.857 4.605 -8.412 1.00 63.33 H new ATOM 977 N HIS A 72 -5.586 1.068 -4.905 1.00 42.32 N ATOM 978 CA HIS A 72 -5.671 -0.253 -4.316 1.00 32.10 C ATOM 979 C HIS A 72 -6.871 -0.331 -3.418 1.00 44.52 C ATOM 980 O HIS A 72 -6.958 0.389 -2.417 1.00 35.42 O ATOM 981 CB HIS A 72 -4.399 -0.627 -3.537 1.00 52.05 C ATOM 982 CG HIS A 72 -3.176 -0.812 -4.382 1.00 14.20 C ATOM 983 ND1 HIS A 72 -2.573 -2.035 -4.575 1.00 53.33 N ATOM 984 CD2 HIS A 72 -2.414 0.086 -5.055 1.00 11.12 C ATOM 985 CE1 HIS A 72 -1.503 -1.886 -5.318 1.00 23.41 C ATOM 986 NE2 HIS A 72 -1.378 -0.608 -5.627 1.00 62.45 N ATOM 0 H HIS A 72 -5.150 1.772 -4.310 1.00 42.32 H new ATOM 0 HA HIS A 72 -5.772 -0.971 -5.130 1.00 32.10 H new ATOM 0 HB2 HIS A 72 -4.200 0.151 -2.800 1.00 52.05 H new ATOM 0 HB3 HIS A 72 -4.585 -1.549 -2.986 1.00 52.05 H new ATOM 0 HD1 HIS A 72 -2.908 -2.921 -4.198 1.00 53.33 H new ATOM 0 HD2 HIS A 72 -2.590 1.149 -5.127 1.00 11.12 H new ATOM 0 HE1 HIS A 72 -0.835 -2.677 -5.626 1.00 23.41 H new ATOM 995 N GLY A 73 -7.791 -1.179 -3.771 1.00 35.40 N ATOM 996 CA GLY A 73 -8.962 -1.342 -2.989 1.00 44.24 C ATOM 997 C GLY A 73 -9.507 -2.714 -3.156 1.00 4.24 C ATOM 998 O GLY A 73 -8.767 -3.648 -3.483 1.00 25.33 O ATOM 0 H GLY A 73 -7.745 -1.768 -4.602 1.00 35.40 H new ATOM 0 HA2 GLY A 73 -8.734 -1.159 -1.939 1.00 44.24 H new ATOM 0 HA3 GLY A 73 -9.711 -0.607 -3.286 1.00 44.24 H new ATOM 1002 N LYS A 74 -10.767 -2.864 -2.944 1.00 51.52 N ATOM 1003 CA LYS A 74 -11.404 -4.141 -3.086 1.00 35.42 C ATOM 1004 C LYS A 74 -12.568 -4.081 -4.016 1.00 22.10 C ATOM 1005 O LYS A 74 -13.197 -3.029 -4.202 1.00 4.25 O ATOM 1006 CB LYS A 74 -11.836 -4.754 -1.745 1.00 35.14 C ATOM 1007 CG LYS A 74 -10.776 -5.572 -0.988 1.00 51.33 C ATOM 1008 CD LYS A 74 -9.568 -4.774 -0.613 1.00 75.52 C ATOM 1009 CE LYS A 74 -8.610 -5.585 0.243 1.00 44.33 C ATOM 1010 NZ LYS A 74 -7.428 -4.804 0.664 1.00 1.11 N ATOM 0 H LYS A 74 -11.393 -2.108 -2.666 1.00 51.52 H new ATOM 0 HA LYS A 74 -10.644 -4.795 -3.514 1.00 35.42 H new ATOM 0 HB2 LYS A 74 -12.172 -3.947 -1.094 1.00 35.14 H new ATOM 0 HB3 LYS A 74 -12.697 -5.397 -1.926 1.00 35.14 H new ATOM 0 HG2 LYS A 74 -11.224 -5.986 -0.085 1.00 51.33 H new ATOM 0 HG3 LYS A 74 -10.468 -6.415 -1.606 1.00 51.33 H new ATOM 0 HD2 LYS A 74 -9.057 -4.439 -1.516 1.00 75.52 H new ATOM 0 HD3 LYS A 74 -9.875 -3.880 -0.070 1.00 75.52 H new ATOM 0 HE2 LYS A 74 -9.135 -5.948 1.126 1.00 44.33 H new ATOM 0 HE3 LYS A 74 -8.282 -6.462 -0.315 1.00 44.33 H new ATOM 0 HZ1 LYS A 74 -6.806 -5.402 1.245 1.00 1.11 H new ATOM 0 HZ2 LYS A 74 -6.909 -4.479 -0.177 1.00 1.11 H new ATOM 0 HZ3 LYS A 74 -7.736 -3.981 1.220 1.00 1.11 H new ATOM 1024 N VAL A 75 -12.837 -5.199 -4.599 1.00 61.12 N ATOM 1025 CA VAL A 75 -13.953 -5.368 -5.486 1.00 74.12 C ATOM 1026 C VAL A 75 -14.998 -6.262 -4.861 1.00 32.35 C ATOM 1027 O VAL A 75 -14.688 -7.349 -4.377 1.00 3.13 O ATOM 1028 CB VAL A 75 -13.517 -5.984 -6.836 1.00 71.34 C ATOM 1029 CG1 VAL A 75 -14.724 -6.344 -7.684 1.00 70.54 C ATOM 1030 CG2 VAL A 75 -12.619 -5.035 -7.590 1.00 44.05 C ATOM 0 H VAL A 75 -12.279 -6.044 -4.474 1.00 61.12 H new ATOM 0 HA VAL A 75 -14.370 -4.377 -5.666 1.00 74.12 H new ATOM 0 HB VAL A 75 -12.961 -6.897 -6.622 1.00 71.34 H new ATOM 0 HG11 VAL A 75 -14.390 -6.775 -8.628 1.00 70.54 H new ATOM 0 HG12 VAL A 75 -15.340 -7.069 -7.152 1.00 70.54 H new ATOM 0 HG13 VAL A 75 -15.310 -5.447 -7.882 1.00 70.54 H new ATOM 0 HG21 VAL A 75 -12.324 -5.488 -8.537 1.00 44.05 H new ATOM 0 HG22 VAL A 75 -13.153 -4.105 -7.784 1.00 44.05 H new ATOM 0 HG23 VAL A 75 -11.730 -4.825 -6.995 1.00 44.05 H new ATOM 1040 N LEU A 76 -16.212 -5.792 -4.890 1.00 41.23 N ATOM 1041 CA LEU A 76 -17.353 -6.518 -4.429 1.00 13.32 C ATOM 1042 C LEU A 76 -17.948 -7.177 -5.652 1.00 33.34 C ATOM 1043 O LEU A 76 -18.442 -6.496 -6.544 1.00 51.42 O ATOM 1044 CB LEU A 76 -18.394 -5.543 -3.848 1.00 34.22 C ATOM 1045 CG LEU A 76 -17.914 -4.591 -2.749 1.00 30.24 C ATOM 1046 CD1 LEU A 76 -19.047 -3.692 -2.288 1.00 2.24 C ATOM 1047 CD2 LEU A 76 -17.334 -5.359 -1.587 1.00 50.22 C ATOM 0 H LEU A 76 -16.439 -4.864 -5.247 1.00 41.23 H new ATOM 0 HA LEU A 76 -17.076 -7.238 -3.659 1.00 13.32 H new ATOM 0 HB2 LEU A 76 -18.791 -4.943 -4.667 1.00 34.22 H new ATOM 0 HB3 LEU A 76 -19.223 -6.129 -3.451 1.00 34.22 H new ATOM 0 HG LEU A 76 -17.126 -3.963 -3.164 1.00 30.24 H new ATOM 0 HD11 LEU A 76 -18.686 -3.023 -1.507 1.00 2.24 H new ATOM 0 HD12 LEU A 76 -19.410 -3.104 -3.130 1.00 2.24 H new ATOM 0 HD13 LEU A 76 -19.860 -4.303 -1.895 1.00 2.24 H new ATOM 0 HD21 LEU A 76 -17.000 -4.661 -0.820 1.00 50.22 H new ATOM 0 HD22 LEU A 76 -18.095 -6.019 -1.171 1.00 50.22 H new ATOM 0 HD23 LEU A 76 -16.487 -5.953 -1.930 1.00 50.22 H new ATOM 1059 N MET A 77 -17.863 -8.458 -5.729 1.00 41.34 N ATOM 1060 CA MET A 77 -18.371 -9.165 -6.876 1.00 64.21 C ATOM 1061 C MET A 77 -19.367 -10.219 -6.491 1.00 33.11 C ATOM 1062 O MET A 77 -19.325 -10.756 -5.395 1.00 12.23 O ATOM 1063 CB MET A 77 -17.252 -9.733 -7.739 1.00 12.35 C ATOM 1064 CG MET A 77 -16.278 -10.660 -7.042 1.00 51.40 C ATOM 1065 SD MET A 77 -15.060 -11.329 -8.195 1.00 1.24 S ATOM 1066 CE MET A 77 -14.424 -9.808 -8.897 1.00 44.42 C ATOM 0 H MET A 77 -17.445 -9.051 -5.012 1.00 41.34 H new ATOM 0 HA MET A 77 -18.902 -8.433 -7.485 1.00 64.21 H new ATOM 0 HB2 MET A 77 -17.702 -10.272 -8.573 1.00 12.35 H new ATOM 0 HB3 MET A 77 -16.690 -8.901 -8.163 1.00 12.35 H new ATOM 0 HG2 MET A 77 -15.767 -10.120 -6.245 1.00 51.40 H new ATOM 0 HG3 MET A 77 -16.825 -11.478 -6.573 1.00 51.40 H new ATOM 0 HE1 MET A 77 -13.400 -9.964 -9.236 1.00 44.42 H new ATOM 0 HE2 MET A 77 -15.045 -9.510 -9.742 1.00 44.42 H new ATOM 0 HE3 MET A 77 -14.440 -9.023 -8.141 1.00 44.42 H new ATOM 1076 N GLY A 78 -20.269 -10.512 -7.392 1.00 30.24 N ATOM 1077 CA GLY A 78 -21.319 -11.434 -7.081 1.00 42.45 C ATOM 1078 C GLY A 78 -22.473 -10.685 -6.493 1.00 30.11 C ATOM 1079 O GLY A 78 -23.338 -11.251 -5.829 1.00 63.03 O ATOM 0 H GLY A 78 -20.294 -10.128 -8.336 1.00 30.24 H new ATOM 0 HA2 GLY A 78 -21.634 -11.962 -7.981 1.00 42.45 H new ATOM 0 HA3 GLY A 78 -20.962 -12.186 -6.378 1.00 42.45 H new ATOM 1083 N VAL A 79 -22.460 -9.396 -6.738 1.00 24.24 N ATOM 1084 CA VAL A 79 -23.449 -8.473 -6.252 1.00 14.31 C ATOM 1085 C VAL A 79 -24.749 -8.682 -6.993 1.00 34.31 C ATOM 1086 O VAL A 79 -24.761 -8.678 -8.226 1.00 11.21 O ATOM 1087 CB VAL A 79 -22.980 -7.014 -6.526 1.00 20.54 C ATOM 1088 CG1 VAL A 79 -23.945 -6.009 -5.998 1.00 73.14 C ATOM 1089 CG2 VAL A 79 -21.633 -6.752 -5.948 1.00 33.15 C ATOM 0 H VAL A 79 -21.735 -8.950 -7.300 1.00 24.24 H new ATOM 0 HA VAL A 79 -23.586 -8.640 -5.184 1.00 14.31 H new ATOM 0 HB VAL A 79 -22.928 -6.912 -7.610 1.00 20.54 H new ATOM 0 HG11 VAL A 79 -23.578 -5.005 -6.211 1.00 73.14 H new ATOM 0 HG12 VAL A 79 -24.915 -6.150 -6.475 1.00 73.14 H new ATOM 0 HG13 VAL A 79 -24.049 -6.136 -4.920 1.00 73.14 H new ATOM 0 HG21 VAL A 79 -21.340 -5.724 -6.160 1.00 33.15 H new ATOM 0 HG22 VAL A 79 -21.664 -6.906 -4.869 1.00 33.15 H new ATOM 0 HG23 VAL A 79 -20.908 -7.435 -6.391 1.00 33.15 H new ATOM 1099 N THR A 80 -25.826 -8.868 -6.275 1.00 64.14 N ATOM 1100 CA THR A 80 -27.114 -8.952 -6.914 1.00 22.14 C ATOM 1101 C THR A 80 -27.523 -7.539 -7.332 1.00 22.22 C ATOM 1102 O THR A 80 -26.973 -6.557 -6.813 1.00 75.42 O ATOM 1103 CB THR A 80 -28.190 -9.593 -5.995 1.00 23.04 C ATOM 1104 OG1 THR A 80 -28.286 -8.869 -4.760 1.00 14.22 O ATOM 1105 CG2 THR A 80 -27.852 -11.048 -5.701 1.00 71.00 C ATOM 0 H THR A 80 -25.839 -8.963 -5.260 1.00 64.14 H new ATOM 0 HA THR A 80 -27.039 -9.603 -7.785 1.00 22.14 H new ATOM 0 HB THR A 80 -29.146 -9.550 -6.516 1.00 23.04 H new ATOM 0 HG1 THR A 80 -27.597 -9.187 -4.140 1.00 14.22 H new ATOM 0 HG21 THR A 80 -28.619 -11.477 -5.056 1.00 71.00 H new ATOM 0 HG22 THR A 80 -27.810 -11.608 -6.635 1.00 71.00 H new ATOM 0 HG23 THR A 80 -26.885 -11.103 -5.201 1.00 71.00 H new ATOM 1113 N SER A 81 -28.450 -7.416 -8.242 1.00 64.53 N ATOM 1114 CA SER A 81 -28.844 -6.112 -8.735 1.00 4.43 C ATOM 1115 C SER A 81 -29.412 -5.223 -7.613 1.00 41.24 C ATOM 1116 O SER A 81 -29.294 -4.014 -7.664 1.00 61.23 O ATOM 1117 CB SER A 81 -29.786 -6.251 -9.927 1.00 44.30 C ATOM 1118 OG SER A 81 -29.152 -7.018 -10.953 1.00 73.53 O ATOM 0 H SER A 81 -28.951 -8.199 -8.661 1.00 64.53 H new ATOM 0 HA SER A 81 -27.953 -5.596 -9.093 1.00 4.43 H new ATOM 0 HB2 SER A 81 -30.712 -6.735 -9.617 1.00 44.30 H new ATOM 0 HB3 SER A 81 -30.054 -5.266 -10.309 1.00 44.30 H new ATOM 0 HG SER A 81 -28.270 -6.637 -11.149 1.00 73.53 H new ATOM 1124 N ASP A 82 -29.969 -5.852 -6.584 1.00 10.14 N ATOM 1125 CA ASP A 82 -30.494 -5.140 -5.407 1.00 41.54 C ATOM 1126 C ASP A 82 -29.371 -4.454 -4.646 1.00 11.02 C ATOM 1127 O ASP A 82 -29.510 -3.333 -4.168 1.00 41.44 O ATOM 1128 CB ASP A 82 -31.187 -6.111 -4.455 1.00 13.42 C ATOM 1129 CG ASP A 82 -32.388 -6.772 -5.042 1.00 14.00 C ATOM 1130 OD1 ASP A 82 -32.249 -7.837 -5.664 1.00 13.14 O ATOM 1131 OD2 ASP A 82 -33.492 -6.239 -4.886 1.00 23.34 O ATOM 0 H ASP A 82 -30.073 -6.865 -6.535 1.00 10.14 H new ATOM 0 HA ASP A 82 -31.206 -4.398 -5.768 1.00 41.54 H new ATOM 0 HB2 ASP A 82 -30.474 -6.877 -4.150 1.00 13.42 H new ATOM 0 HB3 ASP A 82 -31.483 -5.574 -3.554 1.00 13.42 H new ATOM 1136 N GLU A 83 -28.271 -5.138 -4.532 1.00 74.14 N ATOM 1137 CA GLU A 83 -27.106 -4.636 -3.826 1.00 23.10 C ATOM 1138 C GLU A 83 -26.370 -3.633 -4.724 1.00 74.23 C ATOM 1139 O GLU A 83 -25.810 -2.649 -4.251 1.00 22.24 O ATOM 1140 CB GLU A 83 -26.219 -5.828 -3.478 1.00 53.55 C ATOM 1141 CG GLU A 83 -26.947 -6.901 -2.685 1.00 10.40 C ATOM 1142 CD GLU A 83 -26.136 -8.157 -2.495 1.00 20.41 C ATOM 1143 OE1 GLU A 83 -25.981 -8.933 -3.483 1.00 41.30 O ATOM 1144 OE2 GLU A 83 -25.700 -8.428 -1.368 1.00 24.41 O ATOM 0 H GLU A 83 -28.146 -6.070 -4.927 1.00 74.14 H new ATOM 0 HA GLU A 83 -27.387 -4.121 -2.908 1.00 23.10 H new ATOM 0 HB2 GLU A 83 -25.831 -6.265 -4.398 1.00 53.55 H new ATOM 0 HB3 GLU A 83 -25.361 -5.479 -2.904 1.00 53.55 H new ATOM 0 HG2 GLU A 83 -27.217 -6.500 -1.708 1.00 10.40 H new ATOM 0 HG3 GLU A 83 -27.877 -7.151 -3.195 1.00 10.40 H new ATOM 1151 N LEU A 84 -26.388 -3.908 -6.019 1.00 22.11 N ATOM 1152 CA LEU A 84 -25.827 -3.014 -7.030 1.00 70.12 C ATOM 1153 C LEU A 84 -26.572 -1.675 -7.021 1.00 12.41 C ATOM 1154 O LEU A 84 -25.943 -0.623 -6.920 1.00 33.04 O ATOM 1155 CB LEU A 84 -25.876 -3.721 -8.423 1.00 3.34 C ATOM 1156 CG LEU A 84 -25.309 -2.997 -9.688 1.00 32.44 C ATOM 1157 CD1 LEU A 84 -26.173 -1.839 -10.135 1.00 53.11 C ATOM 1158 CD2 LEU A 84 -23.872 -2.542 -9.474 1.00 24.24 C ATOM 0 H LEU A 84 -26.793 -4.761 -6.404 1.00 22.11 H new ATOM 0 HA LEU A 84 -24.783 -2.794 -6.806 1.00 70.12 H new ATOM 0 HB2 LEU A 84 -25.344 -4.667 -8.325 1.00 3.34 H new ATOM 0 HB3 LEU A 84 -26.919 -3.962 -8.628 1.00 3.34 H new ATOM 0 HG LEU A 84 -25.321 -3.735 -10.490 1.00 32.44 H new ATOM 0 HD11 LEU A 84 -25.731 -1.374 -11.016 1.00 53.11 H new ATOM 0 HD12 LEU A 84 -27.171 -2.203 -10.379 1.00 53.11 H new ATOM 0 HD13 LEU A 84 -26.240 -1.104 -9.333 1.00 53.11 H new ATOM 0 HD21 LEU A 84 -23.511 -2.043 -10.373 1.00 24.24 H new ATOM 0 HD22 LEU A 84 -23.831 -1.849 -8.633 1.00 24.24 H new ATOM 0 HD23 LEU A 84 -23.244 -3.407 -9.262 1.00 24.24 H new ATOM 1170 N GLU A 85 -27.910 -1.720 -7.096 1.00 43.44 N ATOM 1171 CA GLU A 85 -28.710 -0.497 -7.082 1.00 53.11 C ATOM 1172 C GLU A 85 -28.540 0.213 -5.754 1.00 3.43 C ATOM 1173 O GLU A 85 -28.625 1.428 -5.677 1.00 63.20 O ATOM 1174 CB GLU A 85 -30.202 -0.755 -7.368 1.00 74.11 C ATOM 1175 CG GLU A 85 -30.919 -1.593 -6.336 1.00 13.44 C ATOM 1176 CD GLU A 85 -32.390 -1.664 -6.593 1.00 12.31 C ATOM 1177 OE1 GLU A 85 -32.826 -2.511 -7.383 1.00 23.53 O ATOM 1178 OE2 GLU A 85 -33.140 -0.850 -6.007 1.00 32.13 O ATOM 0 H GLU A 85 -28.452 -2.582 -7.166 1.00 43.44 H new ATOM 0 HA GLU A 85 -28.344 0.138 -7.889 1.00 53.11 H new ATOM 0 HB2 GLU A 85 -30.711 0.205 -7.450 1.00 74.11 H new ATOM 0 HB3 GLU A 85 -30.290 -1.247 -8.337 1.00 74.11 H new ATOM 0 HG2 GLU A 85 -30.503 -2.600 -6.335 1.00 13.44 H new ATOM 0 HG3 GLU A 85 -30.744 -1.175 -5.345 1.00 13.44 H new ATOM 1185 N ASN A 86 -28.280 -0.571 -4.708 1.00 3.21 N ATOM 1186 CA ASN A 86 -28.032 -0.046 -3.385 1.00 32.33 C ATOM 1187 C ASN A 86 -26.824 0.871 -3.437 1.00 23.12 C ATOM 1188 O ASN A 86 -26.861 1.979 -2.952 1.00 31.23 O ATOM 1189 CB ASN A 86 -27.787 -1.205 -2.394 1.00 54.22 C ATOM 1190 CG ASN A 86 -27.404 -0.762 -1.020 1.00 13.14 C ATOM 1191 OD1 ASN A 86 -28.246 -0.522 -0.172 1.00 34.33 O ATOM 1192 ND2 ASN A 86 -26.140 -0.692 -0.779 1.00 13.32 N ATOM 0 H ASN A 86 -28.238 -1.589 -4.765 1.00 3.21 H new ATOM 0 HA ASN A 86 -28.900 0.519 -3.043 1.00 32.33 H new ATOM 0 HB2 ASN A 86 -28.691 -1.811 -2.330 1.00 54.22 H new ATOM 0 HB3 ASN A 86 -27.000 -1.847 -2.790 1.00 54.22 H new ATOM 0 HD21 ASN A 86 -25.812 -0.428 0.150 1.00 13.32 H new ATOM 0 HD22 ASN A 86 -25.468 -0.901 -1.517 1.00 13.32 H new ATOM 1199 N LEU A 87 -25.779 0.407 -4.085 1.00 63.34 N ATOM 1200 CA LEU A 87 -24.540 1.156 -4.205 1.00 24.21 C ATOM 1201 C LEU A 87 -24.702 2.323 -5.161 1.00 52.01 C ATOM 1202 O LEU A 87 -24.150 3.395 -4.936 1.00 63.13 O ATOM 1203 CB LEU A 87 -23.411 0.243 -4.650 1.00 12.55 C ATOM 1204 CG LEU A 87 -23.092 -0.911 -3.706 1.00 73.32 C ATOM 1205 CD1 LEU A 87 -21.994 -1.783 -4.284 1.00 3.14 C ATOM 1206 CD2 LEU A 87 -22.682 -0.381 -2.333 1.00 75.04 C ATOM 0 H LEU A 87 -25.761 -0.503 -4.546 1.00 63.34 H new ATOM 0 HA LEU A 87 -24.288 1.561 -3.225 1.00 24.21 H new ATOM 0 HB2 LEU A 87 -23.663 -0.169 -5.627 1.00 12.55 H new ATOM 0 HB3 LEU A 87 -22.511 0.843 -4.780 1.00 12.55 H new ATOM 0 HG LEU A 87 -23.990 -1.518 -3.589 1.00 73.32 H new ATOM 0 HD11 LEU A 87 -21.780 -2.601 -3.597 1.00 3.14 H new ATOM 0 HD12 LEU A 87 -22.318 -2.189 -5.242 1.00 3.14 H new ATOM 0 HD13 LEU A 87 -21.094 -1.186 -4.429 1.00 3.14 H new ATOM 0 HD21 LEU A 87 -22.458 -1.218 -1.672 1.00 75.04 H new ATOM 0 HD22 LEU A 87 -21.797 0.248 -2.435 1.00 75.04 H new ATOM 0 HD23 LEU A 87 -23.498 0.206 -1.911 1.00 75.04 H new ATOM 1218 N ASP A 88 -25.471 2.115 -6.215 1.00 65.55 N ATOM 1219 CA ASP A 88 -25.765 3.178 -7.185 1.00 42.32 C ATOM 1220 C ASP A 88 -26.563 4.289 -6.491 1.00 51.25 C ATOM 1221 O ASP A 88 -26.472 5.459 -6.832 1.00 22.23 O ATOM 1222 CB ASP A 88 -26.542 2.606 -8.386 1.00 30.24 C ATOM 1223 CG ASP A 88 -26.874 3.637 -9.455 1.00 32.40 C ATOM 1224 OD1 ASP A 88 -25.999 3.951 -10.293 1.00 44.31 O ATOM 1225 OD2 ASP A 88 -28.026 4.119 -9.492 1.00 21.44 O ATOM 0 H ASP A 88 -25.909 1.219 -6.430 1.00 65.55 H new ATOM 0 HA ASP A 88 -24.832 3.597 -7.562 1.00 42.32 H new ATOM 0 HB2 ASP A 88 -25.956 1.805 -8.837 1.00 30.24 H new ATOM 0 HB3 ASP A 88 -27.469 2.159 -8.027 1.00 30.24 H new ATOM 1230 N ALA A 89 -27.348 3.900 -5.528 1.00 71.42 N ATOM 1231 CA ALA A 89 -28.068 4.828 -4.695 1.00 43.24 C ATOM 1232 C ALA A 89 -27.140 5.479 -3.638 1.00 12.14 C ATOM 1233 O ALA A 89 -27.155 6.688 -3.448 1.00 23.24 O ATOM 1234 CB ALA A 89 -29.228 4.121 -4.028 1.00 65.03 C ATOM 0 H ALA A 89 -27.510 2.920 -5.294 1.00 71.42 H new ATOM 0 HA ALA A 89 -28.453 5.629 -5.326 1.00 43.24 H new ATOM 0 HB1 ALA A 89 -29.771 4.826 -3.398 1.00 65.03 H new ATOM 0 HB2 ALA A 89 -29.899 3.724 -4.790 1.00 65.03 H new ATOM 0 HB3 ALA A 89 -28.851 3.303 -3.415 1.00 65.03 H new ATOM 1240 N VAL A 90 -26.338 4.659 -2.953 1.00 15.21 N ATOM 1241 CA VAL A 90 -25.474 5.153 -1.867 1.00 1.42 C ATOM 1242 C VAL A 90 -24.276 5.986 -2.386 1.00 62.25 C ATOM 1243 O VAL A 90 -24.126 7.147 -2.028 1.00 65.53 O ATOM 1244 CB VAL A 90 -24.951 3.956 -0.986 1.00 13.02 C ATOM 1245 CG1 VAL A 90 -23.971 4.408 0.072 1.00 51.24 C ATOM 1246 CG2 VAL A 90 -26.102 3.231 -0.310 1.00 54.03 C ATOM 0 H VAL A 90 -26.266 3.656 -3.126 1.00 15.21 H new ATOM 0 HA VAL A 90 -26.090 5.814 -1.258 1.00 1.42 H new ATOM 0 HB VAL A 90 -24.437 3.279 -1.668 1.00 13.02 H new ATOM 0 HG11 VAL A 90 -23.640 3.547 0.653 1.00 51.24 H new ATOM 0 HG12 VAL A 90 -23.110 4.876 -0.406 1.00 51.24 H new ATOM 0 HG13 VAL A 90 -24.455 5.127 0.733 1.00 51.24 H new ATOM 0 HG21 VAL A 90 -25.712 2.410 0.291 1.00 54.03 H new ATOM 0 HG22 VAL A 90 -26.643 3.926 0.332 1.00 54.03 H new ATOM 0 HG23 VAL A 90 -26.779 2.836 -1.068 1.00 54.03 H new ATOM 1256 N GLU A 91 -23.430 5.393 -3.194 1.00 12.53 N ATOM 1257 CA GLU A 91 -22.295 6.111 -3.776 1.00 52.20 C ATOM 1258 C GLU A 91 -22.700 6.900 -5.023 1.00 61.01 C ATOM 1259 O GLU A 91 -22.322 8.048 -5.212 1.00 72.04 O ATOM 1260 CB GLU A 91 -21.124 5.160 -4.050 1.00 23.40 C ATOM 1261 CG GLU A 91 -20.696 4.399 -2.794 1.00 45.15 C ATOM 1262 CD GLU A 91 -19.484 3.510 -2.980 1.00 61.34 C ATOM 1263 OE1 GLU A 91 -19.575 2.531 -3.711 1.00 55.41 O ATOM 1264 OE2 GLU A 91 -18.423 3.809 -2.364 1.00 63.40 O ATOM 0 H GLU A 91 -23.497 4.414 -3.471 1.00 12.53 H new ATOM 0 HA GLU A 91 -21.955 6.843 -3.043 1.00 52.20 H new ATOM 0 HB2 GLU A 91 -21.409 4.449 -4.825 1.00 23.40 H new ATOM 0 HB3 GLU A 91 -20.278 5.729 -4.435 1.00 23.40 H new ATOM 0 HG2 GLU A 91 -20.485 5.119 -2.003 1.00 45.15 H new ATOM 0 HG3 GLU A 91 -21.531 3.787 -2.453 1.00 45.15 H new ATOM 1271 N GLY A 92 -23.515 6.259 -5.829 1.00 41.43 N ATOM 1272 CA GLY A 92 -23.895 6.731 -7.158 1.00 62.45 C ATOM 1273 C GLY A 92 -24.595 8.087 -7.272 1.00 61.04 C ATOM 1274 O GLY A 92 -24.684 8.613 -8.364 1.00 32.54 O ATOM 0 H GLY A 92 -23.948 5.370 -5.580 1.00 41.43 H new ATOM 0 HA2 GLY A 92 -22.992 6.770 -7.768 1.00 62.45 H new ATOM 0 HA3 GLY A 92 -24.548 5.981 -7.603 1.00 62.45 H new ATOM 1278 N ASN A 93 -25.131 8.645 -6.209 1.00 21.53 N ATOM 1279 CA ASN A 93 -25.805 9.948 -6.369 1.00 4.43 C ATOM 1280 C ASN A 93 -24.821 11.074 -6.653 1.00 63.10 C ATOM 1281 O ASN A 93 -25.037 11.881 -7.560 1.00 52.40 O ATOM 1282 CB ASN A 93 -26.736 10.326 -5.204 1.00 20.25 C ATOM 1283 CG ASN A 93 -27.967 9.450 -5.098 1.00 35.33 C ATOM 1284 OD1 ASN A 93 -28.448 8.913 -6.083 1.00 24.44 O ATOM 1285 ND2 ASN A 93 -28.505 9.333 -3.907 1.00 11.32 N ATOM 0 H ASN A 93 -25.126 8.256 -5.266 1.00 21.53 H new ATOM 0 HA ASN A 93 -26.445 9.816 -7.242 1.00 4.43 H new ATOM 0 HB2 ASN A 93 -26.177 10.266 -4.270 1.00 20.25 H new ATOM 0 HB3 ASN A 93 -27.049 11.363 -5.323 1.00 20.25 H new ATOM 0 HD21 ASN A 93 -29.352 8.779 -3.782 1.00 11.32 H new ATOM 0 HD22 ASN A 93 -28.076 9.796 -3.106 1.00 11.32 H new ATOM 1292 N GLU A 94 -23.732 11.119 -5.916 1.00 15.44 N ATOM 1293 CA GLU A 94 -22.742 12.185 -6.092 1.00 30.32 C ATOM 1294 C GLU A 94 -21.577 11.721 -6.967 1.00 4.24 C ATOM 1295 O GLU A 94 -20.685 12.498 -7.307 1.00 60.05 O ATOM 1296 CB GLU A 94 -22.232 12.666 -4.732 1.00 33.41 C ATOM 1297 CG GLU A 94 -23.336 13.194 -3.834 1.00 4.52 C ATOM 1298 CD GLU A 94 -22.851 13.635 -2.484 1.00 25.44 C ATOM 1299 OE1 GLU A 94 -22.696 12.775 -1.588 1.00 23.04 O ATOM 1300 OE2 GLU A 94 -22.646 14.844 -2.277 1.00 44.42 O ATOM 0 H GLU A 94 -23.501 10.439 -5.191 1.00 15.44 H new ATOM 0 HA GLU A 94 -23.230 13.017 -6.599 1.00 30.32 H new ATOM 0 HB2 GLU A 94 -21.725 11.842 -4.229 1.00 33.41 H new ATOM 0 HB3 GLU A 94 -21.491 13.450 -4.885 1.00 33.41 H new ATOM 0 HG2 GLU A 94 -23.824 14.034 -4.328 1.00 4.52 H new ATOM 0 HG3 GLU A 94 -24.090 12.418 -3.704 1.00 4.52 H new ATOM 1307 N TYR A 95 -21.618 10.475 -7.336 1.00 11.41 N ATOM 1308 CA TYR A 95 -20.587 9.835 -8.135 1.00 33.31 C ATOM 1309 C TYR A 95 -21.188 9.274 -9.400 1.00 61.33 C ATOM 1310 O TYR A 95 -22.395 9.261 -9.554 1.00 11.14 O ATOM 1311 CB TYR A 95 -19.897 8.729 -7.334 1.00 3.33 C ATOM 1312 CG TYR A 95 -19.060 9.232 -6.187 1.00 53.44 C ATOM 1313 CD1 TYR A 95 -19.629 9.547 -4.961 1.00 14.33 C ATOM 1314 CD2 TYR A 95 -17.695 9.388 -6.332 1.00 22.42 C ATOM 1315 CE1 TYR A 95 -18.861 10.003 -3.919 1.00 34.33 C ATOM 1316 CE2 TYR A 95 -16.923 9.840 -5.297 1.00 64.42 C ATOM 1317 CZ TYR A 95 -17.508 10.148 -4.093 1.00 50.31 C ATOM 1318 OH TYR A 95 -16.736 10.595 -3.055 1.00 55.52 O ATOM 0 H TYR A 95 -22.385 9.850 -7.089 1.00 11.41 H new ATOM 0 HA TYR A 95 -19.838 10.581 -8.403 1.00 33.31 H new ATOM 0 HB2 TYR A 95 -20.655 8.049 -6.946 1.00 3.33 H new ATOM 0 HB3 TYR A 95 -19.263 8.150 -8.006 1.00 3.33 H new ATOM 0 HD1 TYR A 95 -20.694 9.431 -4.825 1.00 14.33 H new ATOM 0 HD2 TYR A 95 -17.230 9.149 -7.277 1.00 22.42 H new ATOM 0 HE1 TYR A 95 -19.318 10.245 -2.971 1.00 34.33 H new ATOM 0 HE2 TYR A 95 -15.857 9.954 -5.426 1.00 64.42 H new ATOM 0 HH TYR A 95 -17.217 11.296 -2.568 1.00 55.52 H new ATOM 1328 N GLU A 96 -20.364 8.855 -10.322 1.00 32.25 N ATOM 1329 CA GLU A 96 -20.880 8.250 -11.515 1.00 52.44 C ATOM 1330 C GLU A 96 -20.297 6.870 -11.652 1.00 13.02 C ATOM 1331 O GLU A 96 -19.078 6.668 -11.483 1.00 42.20 O ATOM 1332 CB GLU A 96 -20.582 9.104 -12.756 1.00 15.10 C ATOM 1333 CG GLU A 96 -21.219 8.585 -14.037 1.00 24.32 C ATOM 1334 CD GLU A 96 -20.955 9.469 -15.236 1.00 30.14 C ATOM 1335 OE1 GLU A 96 -21.620 10.519 -15.372 1.00 62.34 O ATOM 1336 OE2 GLU A 96 -20.104 9.117 -16.075 1.00 42.11 O ATOM 0 H GLU A 96 -19.347 8.921 -10.271 1.00 32.25 H new ATOM 0 HA GLU A 96 -21.965 8.180 -11.438 1.00 52.44 H new ATOM 0 HB2 GLU A 96 -20.931 10.121 -12.576 1.00 15.10 H new ATOM 0 HB3 GLU A 96 -19.502 9.157 -12.896 1.00 15.10 H new ATOM 0 HG2 GLU A 96 -20.842 7.583 -14.242 1.00 24.32 H new ATOM 0 HG3 GLU A 96 -22.295 8.496 -13.889 1.00 24.32 H new ATOM 1343 N ARG A 97 -21.163 5.932 -11.922 1.00 72.21 N ATOM 1344 CA ARG A 97 -20.807 4.556 -12.045 1.00 5.05 C ATOM 1345 C ARG A 97 -20.377 4.267 -13.460 1.00 65.53 C ATOM 1346 O ARG A 97 -21.168 4.349 -14.403 1.00 42.35 O ATOM 1347 CB ARG A 97 -21.997 3.678 -11.623 1.00 75.23 C ATOM 1348 CG ARG A 97 -21.820 2.191 -11.867 1.00 55.43 C ATOM 1349 CD ARG A 97 -23.007 1.396 -11.323 1.00 31.04 C ATOM 1350 NE ARG A 97 -24.304 1.914 -11.795 1.00 32.24 N ATOM 1351 CZ ARG A 97 -25.293 1.186 -12.331 1.00 13.52 C ATOM 1352 NH1 ARG A 97 -25.106 -0.096 -12.628 1.00 11.10 N ATOM 1353 NH2 ARG A 97 -26.458 1.750 -12.598 1.00 25.11 N ATOM 0 H ARG A 97 -22.157 6.113 -12.065 1.00 72.21 H new ATOM 0 HA ARG A 97 -19.968 4.327 -11.388 1.00 5.05 H new ATOM 0 HB2 ARG A 97 -22.186 3.836 -10.561 1.00 75.23 H new ATOM 0 HB3 ARG A 97 -22.885 4.015 -12.158 1.00 75.23 H new ATOM 0 HG2 ARG A 97 -21.714 2.005 -12.936 1.00 55.43 H new ATOM 0 HG3 ARG A 97 -20.901 1.849 -11.391 1.00 55.43 H new ATOM 0 HD2 ARG A 97 -22.907 0.352 -11.621 1.00 31.04 H new ATOM 0 HD3 ARG A 97 -22.986 1.420 -10.233 1.00 31.04 H new ATOM 0 HE ARG A 97 -24.463 2.918 -11.705 1.00 32.24 H new ATOM 0 HH11 ARG A 97 -24.203 -0.535 -12.448 1.00 11.10 H new ATOM 0 HH12 ARG A 97 -25.866 -0.641 -13.036 1.00 11.10 H new ATOM 0 HH21 ARG A 97 -26.604 2.739 -12.396 1.00 25.11 H new ATOM 0 HH22 ARG A 97 -27.211 1.196 -13.006 1.00 25.11 H new ATOM 1367 N VAL A 98 -19.125 3.942 -13.592 1.00 52.53 N ATOM 1368 CA VAL A 98 -18.513 3.680 -14.865 1.00 14.13 C ATOM 1369 C VAL A 98 -17.885 2.313 -14.885 1.00 2.22 C ATOM 1370 O VAL A 98 -17.665 1.706 -13.826 1.00 31.14 O ATOM 1371 CB VAL A 98 -17.471 4.748 -15.241 1.00 72.44 C ATOM 1372 CG1 VAL A 98 -18.165 6.091 -15.411 1.00 75.42 C ATOM 1373 CG2 VAL A 98 -16.381 4.832 -14.173 1.00 62.12 C ATOM 0 H VAL A 98 -18.486 3.849 -12.803 1.00 52.53 H new ATOM 0 HA VAL A 98 -19.307 3.718 -15.611 1.00 14.13 H new ATOM 0 HB VAL A 98 -16.995 4.472 -16.182 1.00 72.44 H new ATOM 0 HG11 VAL A 98 -17.429 6.850 -15.677 1.00 75.42 H new ATOM 0 HG12 VAL A 98 -18.912 6.017 -16.201 1.00 75.42 H new ATOM 0 HG13 VAL A 98 -18.652 6.370 -14.476 1.00 75.42 H new ATOM 0 HG21 VAL A 98 -15.653 5.592 -14.455 1.00 62.12 H new ATOM 0 HG22 VAL A 98 -16.829 5.097 -13.215 1.00 62.12 H new ATOM 0 HG23 VAL A 98 -15.882 3.867 -14.085 1.00 62.12 H new ATOM 1383 N THR A 99 -17.628 1.820 -16.056 1.00 40.03 N ATOM 1384 CA THR A 99 -17.041 0.520 -16.207 1.00 11.41 C ATOM 1385 C THR A 99 -15.526 0.676 -16.329 1.00 21.03 C ATOM 1386 O THR A 99 -15.032 1.500 -17.103 1.00 43.02 O ATOM 1387 CB THR A 99 -17.653 -0.258 -17.424 1.00 13.43 C ATOM 1388 OG1 THR A 99 -17.084 -1.578 -17.548 1.00 12.43 O ATOM 1389 CG2 THR A 99 -17.479 0.499 -18.732 1.00 22.12 C ATOM 0 H THR A 99 -17.818 2.304 -16.934 1.00 40.03 H new ATOM 0 HA THR A 99 -17.267 -0.081 -15.326 1.00 11.41 H new ATOM 0 HB THR A 99 -18.720 -0.351 -17.222 1.00 13.43 H new ATOM 0 HG1 THR A 99 -17.487 -2.037 -18.314 1.00 12.43 H new ATOM 0 HG21 THR A 99 -17.918 -0.077 -19.547 1.00 22.12 H new ATOM 0 HG22 THR A 99 -17.977 1.466 -18.662 1.00 22.12 H new ATOM 0 HG23 THR A 99 -16.417 0.651 -18.926 1.00 22.12 H new ATOM 1397 N VAL A 100 -14.801 -0.069 -15.537 1.00 4.32 N ATOM 1398 CA VAL A 100 -13.355 0.034 -15.509 1.00 63.04 C ATOM 1399 C VAL A 100 -12.710 -1.338 -15.440 1.00 1.12 C ATOM 1400 O VAL A 100 -13.392 -2.355 -15.232 1.00 13.52 O ATOM 1401 CB VAL A 100 -12.846 0.883 -14.303 1.00 33.31 C ATOM 1402 CG1 VAL A 100 -13.317 2.329 -14.396 1.00 62.41 C ATOM 1403 CG2 VAL A 100 -13.292 0.260 -12.984 1.00 3.14 C ATOM 0 H VAL A 100 -15.187 -0.761 -14.895 1.00 4.32 H new ATOM 0 HA VAL A 100 -13.070 0.533 -16.435 1.00 63.04 H new ATOM 0 HB VAL A 100 -11.757 0.887 -14.339 1.00 33.31 H new ATOM 0 HG11 VAL A 100 -12.943 2.889 -13.539 1.00 62.41 H new ATOM 0 HG12 VAL A 100 -12.939 2.776 -15.315 1.00 62.41 H new ATOM 0 HG13 VAL A 100 -14.407 2.357 -14.400 1.00 62.41 H new ATOM 0 HG21 VAL A 100 -12.928 0.866 -12.154 1.00 3.14 H new ATOM 0 HG22 VAL A 100 -14.381 0.217 -12.952 1.00 3.14 H new ATOM 0 HG23 VAL A 100 -12.887 -0.748 -12.902 1.00 3.14 H new ATOM 1413 N GLY A 101 -11.414 -1.359 -15.609 1.00 65.42 N ATOM 1414 CA GLY A 101 -10.664 -2.568 -15.522 1.00 40.23 C ATOM 1415 C GLY A 101 -9.753 -2.552 -14.323 1.00 42.35 C ATOM 1416 O GLY A 101 -8.950 -1.636 -14.158 1.00 1.12 O ATOM 0 H GLY A 101 -10.854 -0.531 -15.811 1.00 65.42 H new ATOM 0 HA2 GLY A 101 -11.343 -3.418 -15.456 1.00 40.23 H new ATOM 0 HA3 GLY A 101 -10.075 -2.701 -16.429 1.00 40.23 H new ATOM 1420 N ILE A 102 -9.886 -3.546 -13.491 1.00 62.53 N ATOM 1421 CA ILE A 102 -9.090 -3.678 -12.295 1.00 71.33 C ATOM 1422 C ILE A 102 -8.163 -4.851 -12.419 1.00 72.10 C ATOM 1423 O ILE A 102 -8.384 -5.723 -13.235 1.00 61.10 O ATOM 1424 CB ILE A 102 -9.975 -3.769 -10.995 1.00 54.43 C ATOM 1425 CG1 ILE A 102 -11.064 -4.874 -11.053 1.00 42.24 C ATOM 1426 CG2 ILE A 102 -10.607 -2.446 -10.687 1.00 23.24 C ATOM 1427 CD1 ILE A 102 -10.605 -6.294 -10.805 1.00 74.22 C ATOM 0 H ILE A 102 -10.559 -4.301 -13.623 1.00 62.53 H new ATOM 0 HA ILE A 102 -8.491 -2.773 -12.191 1.00 71.33 H new ATOM 0 HB ILE A 102 -9.291 -4.048 -10.194 1.00 54.43 H new ATOM 0 HG12 ILE A 102 -11.833 -4.632 -10.320 1.00 42.24 H new ATOM 0 HG13 ILE A 102 -11.536 -4.835 -12.035 1.00 42.24 H new ATOM 0 HG21 ILE A 102 -11.213 -2.533 -9.785 1.00 23.24 H new ATOM 0 HG22 ILE A 102 -9.829 -1.699 -10.530 1.00 23.24 H new ATOM 0 HG23 ILE A 102 -11.239 -2.142 -11.521 1.00 23.24 H new ATOM 0 HD11 ILE A 102 -11.458 -6.969 -10.873 1.00 74.22 H new ATOM 0 HD12 ILE A 102 -9.862 -6.572 -11.552 1.00 74.22 H new ATOM 0 HD13 ILE A 102 -10.164 -6.365 -9.811 1.00 74.22 H new ATOM 1439 N VAL A 103 -7.138 -4.871 -11.637 1.00 4.43 N ATOM 1440 CA VAL A 103 -6.189 -5.938 -11.680 1.00 11.24 C ATOM 1441 C VAL A 103 -6.141 -6.587 -10.326 1.00 73.22 C ATOM 1442 O VAL A 103 -5.981 -5.908 -9.316 1.00 10.42 O ATOM 1443 CB VAL A 103 -4.780 -5.439 -12.101 1.00 62.34 C ATOM 1444 CG1 VAL A 103 -3.780 -6.579 -12.120 1.00 35.12 C ATOM 1445 CG2 VAL A 103 -4.829 -4.766 -13.467 1.00 52.12 C ATOM 0 H VAL A 103 -6.931 -4.148 -10.948 1.00 4.43 H new ATOM 0 HA VAL A 103 -6.502 -6.662 -12.432 1.00 11.24 H new ATOM 0 HB VAL A 103 -4.455 -4.707 -11.361 1.00 62.34 H new ATOM 0 HG11 VAL A 103 -2.802 -6.200 -12.418 1.00 35.12 H new ATOM 0 HG12 VAL A 103 -3.711 -7.019 -11.125 1.00 35.12 H new ATOM 0 HG13 VAL A 103 -4.107 -7.338 -12.830 1.00 35.12 H new ATOM 0 HG21 VAL A 103 -3.831 -4.425 -13.741 1.00 52.12 H new ATOM 0 HG22 VAL A 103 -5.186 -5.478 -14.211 1.00 52.12 H new ATOM 0 HG23 VAL A 103 -5.506 -3.913 -13.428 1.00 52.12 H new ATOM 1455 N ARG A 104 -6.312 -7.880 -10.305 1.00 33.41 N ATOM 1456 CA ARG A 104 -6.352 -8.627 -9.074 1.00 21.21 C ATOM 1457 C ARG A 104 -5.001 -8.645 -8.421 1.00 60.51 C ATOM 1458 O ARG A 104 -3.975 -8.885 -9.082 1.00 33.33 O ATOM 1459 CB ARG A 104 -6.791 -10.061 -9.319 1.00 35.04 C ATOM 1460 CG ARG A 104 -8.149 -10.203 -9.959 1.00 42.52 C ATOM 1461 CD ARG A 104 -8.541 -11.663 -10.077 1.00 72.03 C ATOM 1462 NE ARG A 104 -8.652 -12.305 -8.764 1.00 31.44 N ATOM 1463 CZ ARG A 104 -9.463 -13.324 -8.478 1.00 63.12 C ATOM 1464 NH1 ARG A 104 -10.246 -13.852 -9.420 1.00 33.41 N ATOM 1465 NH2 ARG A 104 -9.491 -13.803 -7.245 1.00 0.24 N ATOM 0 H ARG A 104 -6.428 -8.449 -11.143 1.00 33.41 H new ATOM 0 HA ARG A 104 -7.072 -8.135 -8.420 1.00 21.21 H new ATOM 0 HB2 ARG A 104 -6.052 -10.549 -9.954 1.00 35.04 H new ATOM 0 HB3 ARG A 104 -6.795 -10.593 -8.368 1.00 35.04 H new ATOM 0 HG2 ARG A 104 -8.892 -9.669 -9.367 1.00 42.52 H new ATOM 0 HG3 ARG A 104 -8.140 -9.744 -10.947 1.00 42.52 H new ATOM 0 HD2 ARG A 104 -9.493 -11.742 -10.602 1.00 72.03 H new ATOM 0 HD3 ARG A 104 -7.801 -12.191 -10.678 1.00 72.03 H new ATOM 0 HE ARG A 104 -8.064 -11.945 -8.012 1.00 31.44 H new ATOM 0 HH11 ARG A 104 -10.227 -13.476 -10.368 1.00 33.41 H new ATOM 0 HH12 ARG A 104 -10.863 -14.631 -9.192 1.00 33.41 H new ATOM 0 HH21 ARG A 104 -8.896 -13.393 -6.525 1.00 0.24 H new ATOM 0 HH22 ARG A 104 -10.107 -14.582 -7.014 1.00 0.24 H new ATOM 1479 N GLU A 105 -4.983 -8.428 -7.135 1.00 41.33 N ATOM 1480 CA GLU A 105 -3.748 -8.468 -6.391 1.00 43.03 C ATOM 1481 C GLU A 105 -3.363 -9.918 -6.108 1.00 70.13 C ATOM 1482 O GLU A 105 -2.292 -10.199 -5.579 1.00 33.12 O ATOM 1483 CB GLU A 105 -3.856 -7.651 -5.106 1.00 45.22 C ATOM 1484 CG GLU A 105 -4.190 -6.180 -5.351 1.00 14.32 C ATOM 1485 CD GLU A 105 -4.232 -5.356 -4.087 1.00 74.32 C ATOM 1486 OE1 GLU A 105 -5.153 -5.539 -3.277 1.00 54.11 O ATOM 1487 OE2 GLU A 105 -3.352 -4.483 -3.903 1.00 31.03 O ATOM 0 H GLU A 105 -5.811 -8.221 -6.576 1.00 41.33 H new ATOM 0 HA GLU A 105 -2.958 -8.015 -6.990 1.00 43.03 H new ATOM 0 HB2 GLU A 105 -4.624 -8.089 -4.468 1.00 45.22 H new ATOM 0 HB3 GLU A 105 -2.914 -7.717 -4.562 1.00 45.22 H new ATOM 0 HG2 GLU A 105 -3.449 -5.755 -6.028 1.00 14.32 H new ATOM 0 HG3 GLU A 105 -5.156 -6.113 -5.852 1.00 14.32 H new ATOM 1494 N ASP A 106 -4.263 -10.820 -6.477 1.00 1.50 N ATOM 1495 CA ASP A 106 -4.061 -12.262 -6.362 1.00 35.42 C ATOM 1496 C ASP A 106 -2.938 -12.715 -7.271 1.00 63.11 C ATOM 1497 O ASP A 106 -1.869 -13.120 -6.825 1.00 44.25 O ATOM 1498 CB ASP A 106 -5.308 -13.044 -6.836 1.00 62.40 C ATOM 1499 CG ASP A 106 -6.577 -12.723 -6.125 1.00 23.05 C ATOM 1500 OD1 ASP A 106 -7.200 -11.725 -6.481 1.00 32.24 O ATOM 1501 OD2 ASP A 106 -7.009 -13.518 -5.246 1.00 5.45 O ATOM 0 H ASP A 106 -5.169 -10.568 -6.871 1.00 1.50 H new ATOM 0 HA ASP A 106 -3.845 -12.456 -5.312 1.00 35.42 H new ATOM 0 HB2 ASP A 106 -5.451 -12.855 -7.900 1.00 62.40 H new ATOM 0 HB3 ASP A 106 -5.110 -14.110 -6.725 1.00 62.40 H new ATOM 1506 N ASN A 107 -3.200 -12.617 -8.558 1.00 61.12 N ATOM 1507 CA ASN A 107 -2.345 -13.196 -9.579 1.00 23.34 C ATOM 1508 C ASN A 107 -2.036 -12.208 -10.706 1.00 32.13 C ATOM 1509 O ASN A 107 -1.531 -12.592 -11.759 1.00 12.32 O ATOM 1510 CB ASN A 107 -3.054 -14.441 -10.139 1.00 20.30 C ATOM 1511 CG ASN A 107 -4.386 -14.122 -10.832 1.00 51.30 C ATOM 1512 OD1 ASN A 107 -5.050 -13.109 -10.534 1.00 51.13 O ATOM 1513 ND2 ASN A 107 -4.802 -14.981 -11.719 1.00 40.55 N ATOM 0 H ASN A 107 -4.016 -12.131 -8.929 1.00 61.12 H new ATOM 0 HA ASN A 107 -1.388 -13.461 -9.130 1.00 23.34 H new ATOM 0 HB2 ASN A 107 -2.393 -14.938 -10.849 1.00 20.30 H new ATOM 0 HB3 ASN A 107 -3.235 -15.144 -9.326 1.00 20.30 H new ATOM 0 HD21 ASN A 107 -5.694 -14.835 -12.192 1.00 40.55 H new ATOM 0 HD22 ASN A 107 -4.236 -15.800 -11.941 1.00 40.55 H new ATOM 1520 N SER A 108 -2.358 -10.943 -10.475 1.00 51.52 N ATOM 1521 CA SER A 108 -2.049 -9.839 -11.396 1.00 33.13 C ATOM 1522 C SER A 108 -2.883 -9.885 -12.705 1.00 50.01 C ATOM 1523 O SER A 108 -2.533 -9.224 -13.689 1.00 3.22 O ATOM 1524 CB SER A 108 -0.517 -9.774 -11.688 1.00 75.31 C ATOM 1525 OG SER A 108 -0.171 -8.631 -12.474 1.00 64.23 O ATOM 0 H SER A 108 -2.848 -10.642 -9.633 1.00 51.52 H new ATOM 0 HA SER A 108 -2.341 -8.918 -10.892 1.00 33.13 H new ATOM 0 HB2 SER A 108 0.031 -9.746 -10.746 1.00 75.31 H new ATOM 0 HB3 SER A 108 -0.208 -10.680 -12.210 1.00 75.31 H new ATOM 0 HG SER A 108 -0.818 -8.527 -13.202 1.00 64.23 H new ATOM 1531 N GLU A 109 -3.986 -10.609 -12.709 1.00 14.32 N ATOM 1532 CA GLU A 109 -4.852 -10.635 -13.886 1.00 11.13 C ATOM 1533 C GLU A 109 -5.873 -9.512 -13.833 1.00 23.32 C ATOM 1534 O GLU A 109 -6.287 -9.094 -12.747 1.00 51.15 O ATOM 1535 CB GLU A 109 -5.543 -11.972 -14.033 1.00 30.10 C ATOM 1536 CG GLU A 109 -4.599 -13.121 -14.324 1.00 61.24 C ATOM 1537 CD GLU A 109 -3.873 -12.945 -15.633 1.00 71.20 C ATOM 1538 OE1 GLU A 109 -4.501 -13.118 -16.703 1.00 44.14 O ATOM 1539 OE2 GLU A 109 -2.671 -12.614 -15.619 1.00 61.11 O ATOM 0 H GLU A 109 -4.305 -11.181 -11.927 1.00 14.32 H new ATOM 0 HA GLU A 109 -4.220 -10.486 -14.761 1.00 11.13 H new ATOM 0 HB2 GLU A 109 -6.092 -12.189 -13.117 1.00 30.10 H new ATOM 0 HB3 GLU A 109 -6.277 -11.905 -14.836 1.00 30.10 H new ATOM 0 HG2 GLU A 109 -3.872 -13.205 -13.516 1.00 61.24 H new ATOM 0 HG3 GLU A 109 -5.161 -14.054 -14.345 1.00 61.24 H new ATOM 1546 N LYS A 110 -6.274 -9.034 -14.989 1.00 3.11 N ATOM 1547 CA LYS A 110 -7.194 -7.910 -15.073 1.00 74.54 C ATOM 1548 C LYS A 110 -8.639 -8.391 -15.220 1.00 2.23 C ATOM 1549 O LYS A 110 -8.905 -9.446 -15.809 1.00 65.22 O ATOM 1550 CB LYS A 110 -6.831 -6.987 -16.241 1.00 41.51 C ATOM 1551 CG LYS A 110 -6.960 -7.640 -17.598 1.00 32.42 C ATOM 1552 CD LYS A 110 -6.573 -6.702 -18.713 1.00 33.41 C ATOM 1553 CE LYS A 110 -6.754 -7.362 -20.065 1.00 50.24 C ATOM 1554 NZ LYS A 110 -5.940 -8.592 -20.205 1.00 53.42 N ATOM 0 H LYS A 110 -5.978 -9.405 -15.892 1.00 3.11 H new ATOM 0 HA LYS A 110 -7.107 -7.347 -14.143 1.00 74.54 H new ATOM 0 HB2 LYS A 110 -7.473 -6.107 -16.209 1.00 41.51 H new ATOM 0 HB3 LYS A 110 -5.806 -6.639 -16.112 1.00 41.51 H new ATOM 0 HG2 LYS A 110 -6.329 -8.528 -17.635 1.00 32.42 H new ATOM 0 HG3 LYS A 110 -7.987 -7.973 -17.744 1.00 32.42 H new ATOM 0 HD2 LYS A 110 -7.181 -5.799 -18.661 1.00 33.41 H new ATOM 0 HD3 LYS A 110 -5.534 -6.395 -18.590 1.00 33.41 H new ATOM 0 HE2 LYS A 110 -7.806 -7.607 -20.209 1.00 50.24 H new ATOM 0 HE3 LYS A 110 -6.481 -6.657 -20.850 1.00 50.24 H new ATOM 0 HZ1 LYS A 110 -5.908 -8.875 -21.205 1.00 53.42 H new ATOM 0 HZ2 LYS A 110 -4.974 -8.410 -19.865 1.00 53.42 H new ATOM 0 HZ3 LYS A 110 -6.366 -9.356 -19.643 1.00 53.42 H new ATOM 1568 N MET A 111 -9.543 -7.631 -14.671 1.00 30.05 N ATOM 1569 CA MET A 111 -10.970 -7.919 -14.709 1.00 2.24 C ATOM 1570 C MET A 111 -11.746 -6.663 -14.889 1.00 52.23 C ATOM 1571 O MET A 111 -11.254 -5.578 -14.630 1.00 40.52 O ATOM 1572 CB MET A 111 -11.441 -8.602 -13.437 1.00 43.34 C ATOM 1573 CG MET A 111 -10.857 -9.965 -13.247 1.00 11.22 C ATOM 1574 SD MET A 111 -11.320 -10.741 -11.698 1.00 13.01 S ATOM 1575 CE MET A 111 -13.077 -10.835 -11.912 1.00 4.22 C ATOM 0 H MET A 111 -9.315 -6.772 -14.170 1.00 30.05 H new ATOM 0 HA MET A 111 -11.138 -8.591 -15.551 1.00 2.24 H new ATOM 0 HB2 MET A 111 -11.180 -7.980 -12.581 1.00 43.34 H new ATOM 0 HB3 MET A 111 -12.528 -8.679 -13.455 1.00 43.34 H new ATOM 0 HG2 MET A 111 -11.173 -10.604 -14.072 1.00 11.22 H new ATOM 0 HG3 MET A 111 -9.770 -9.895 -13.297 1.00 11.22 H new ATOM 0 HE1 MET A 111 -13.488 -11.574 -11.224 1.00 4.22 H new ATOM 0 HE2 MET A 111 -13.521 -9.861 -11.707 1.00 4.22 H new ATOM 0 HE3 MET A 111 -13.304 -11.128 -12.937 1.00 4.22 H new ATOM 1585 N ALA A 112 -12.948 -6.811 -15.313 1.00 2.21 N ATOM 1586 CA ALA A 112 -13.815 -5.669 -15.556 1.00 44.40 C ATOM 1587 C ALA A 112 -14.839 -5.526 -14.448 1.00 30.42 C ATOM 1588 O ALA A 112 -15.503 -6.503 -14.069 1.00 2.14 O ATOM 1589 CB ALA A 112 -14.498 -5.773 -16.902 1.00 2.13 C ATOM 0 H ALA A 112 -13.377 -7.716 -15.507 1.00 2.21 H new ATOM 0 HA ALA A 112 -13.191 -4.776 -15.566 1.00 44.40 H new ATOM 0 HB1 ALA A 112 -15.139 -4.904 -17.053 1.00 2.13 H new ATOM 0 HB2 ALA A 112 -13.746 -5.810 -17.690 1.00 2.13 H new ATOM 0 HB3 ALA A 112 -15.102 -6.680 -16.934 1.00 2.13 H new ATOM 1595 N VAL A 113 -14.961 -4.320 -13.923 1.00 65.32 N ATOM 1596 CA VAL A 113 -15.869 -4.032 -12.817 1.00 42.10 C ATOM 1597 C VAL A 113 -16.503 -2.649 -12.993 1.00 35.31 C ATOM 1598 O VAL A 113 -16.162 -1.919 -13.930 1.00 71.22 O ATOM 1599 CB VAL A 113 -15.142 -4.064 -11.436 1.00 73.33 C ATOM 1600 CG1 VAL A 113 -14.497 -5.412 -11.172 1.00 11.31 C ATOM 1601 CG2 VAL A 113 -14.107 -2.957 -11.347 1.00 71.53 C ATOM 0 H VAL A 113 -14.435 -3.509 -14.249 1.00 65.32 H new ATOM 0 HA VAL A 113 -16.633 -4.809 -12.831 1.00 42.10 H new ATOM 0 HB VAL A 113 -15.898 -3.901 -10.667 1.00 73.33 H new ATOM 0 HG11 VAL A 113 -14.001 -5.394 -10.201 1.00 11.31 H new ATOM 0 HG12 VAL A 113 -15.262 -6.188 -11.174 1.00 11.31 H new ATOM 0 HG13 VAL A 113 -13.764 -5.623 -11.950 1.00 11.31 H new ATOM 0 HG21 VAL A 113 -13.613 -2.998 -10.376 1.00 71.53 H new ATOM 0 HG22 VAL A 113 -13.367 -3.086 -12.137 1.00 71.53 H new ATOM 0 HG23 VAL A 113 -14.597 -1.990 -11.464 1.00 71.53 H new ATOM 1611 N LYS A 114 -17.433 -2.318 -12.128 1.00 34.14 N ATOM 1612 CA LYS A 114 -18.048 -1.008 -12.100 1.00 52.42 C ATOM 1613 C LYS A 114 -17.366 -0.235 -10.977 1.00 63.51 C ATOM 1614 O LYS A 114 -16.924 -0.843 -10.017 1.00 51.45 O ATOM 1615 CB LYS A 114 -19.540 -1.134 -11.728 1.00 2.31 C ATOM 1616 CG LYS A 114 -20.344 -2.143 -12.547 1.00 53.40 C ATOM 1617 CD LYS A 114 -20.432 -1.786 -14.013 1.00 73.32 C ATOM 1618 CE LYS A 114 -21.221 -2.847 -14.763 1.00 35.42 C ATOM 1619 NZ LYS A 114 -21.352 -2.552 -16.199 1.00 32.24 N ATOM 0 H LYS A 114 -17.789 -2.956 -11.416 1.00 34.14 H new ATOM 0 HA LYS A 114 -17.952 -0.522 -13.071 1.00 52.42 H new ATOM 0 HB2 LYS A 114 -19.611 -1.409 -10.676 1.00 2.31 H new ATOM 0 HB3 LYS A 114 -20.006 -0.154 -11.834 1.00 2.31 H new ATOM 0 HG2 LYS A 114 -19.888 -3.128 -12.446 1.00 53.40 H new ATOM 0 HG3 LYS A 114 -21.351 -2.214 -12.136 1.00 53.40 H new ATOM 0 HD2 LYS A 114 -20.912 -0.814 -14.130 1.00 73.32 H new ATOM 0 HD3 LYS A 114 -19.431 -1.700 -14.435 1.00 73.32 H new ATOM 0 HE2 LYS A 114 -20.732 -3.813 -14.638 1.00 35.42 H new ATOM 0 HE3 LYS A 114 -22.214 -2.934 -14.323 1.00 35.42 H new ATOM 0 HZ1 LYS A 114 -21.898 -3.307 -16.660 1.00 32.24 H new ATOM 0 HZ2 LYS A 114 -21.843 -1.644 -16.323 1.00 32.24 H new ATOM 0 HZ3 LYS A 114 -20.407 -2.496 -16.630 1.00 32.24 H new ATOM 1633 N THR A 115 -17.256 1.055 -11.088 1.00 74.45 N ATOM 1634 CA THR A 115 -16.713 1.833 -9.995 1.00 33.51 C ATOM 1635 C THR A 115 -17.329 3.223 -10.020 1.00 72.13 C ATOM 1636 O THR A 115 -18.048 3.570 -10.976 1.00 73.21 O ATOM 1637 CB THR A 115 -15.154 1.916 -10.009 1.00 62.14 C ATOM 1638 OG1 THR A 115 -14.684 2.401 -8.737 1.00 32.23 O ATOM 1639 CG2 THR A 115 -14.673 2.871 -11.093 1.00 73.43 C ATOM 0 H THR A 115 -17.529 1.593 -11.910 1.00 74.45 H new ATOM 0 HA THR A 115 -16.972 1.322 -9.068 1.00 33.51 H new ATOM 0 HB THR A 115 -14.763 0.918 -10.207 1.00 62.14 H new ATOM 0 HG1 THR A 115 -14.980 1.795 -8.026 1.00 32.23 H new ATOM 0 HG21 THR A 115 -13.584 2.913 -11.084 1.00 73.43 H new ATOM 0 HG22 THR A 115 -15.015 2.518 -12.066 1.00 73.43 H new ATOM 0 HG23 THR A 115 -15.076 3.866 -10.906 1.00 73.43 H new ATOM 1647 N TYR A 116 -17.061 3.999 -8.999 1.00 0.12 N ATOM 1648 CA TYR A 116 -17.642 5.303 -8.849 1.00 44.52 C ATOM 1649 C TYR A 116 -16.547 6.354 -8.784 1.00 13.13 C ATOM 1650 O TYR A 116 -15.804 6.436 -7.805 1.00 51.31 O ATOM 1651 CB TYR A 116 -18.510 5.349 -7.579 1.00 20.04 C ATOM 1652 CG TYR A 116 -19.622 4.322 -7.573 1.00 3.02 C ATOM 1653 CD1 TYR A 116 -19.397 3.046 -7.084 1.00 21.41 C ATOM 1654 CD2 TYR A 116 -20.886 4.620 -8.069 1.00 50.30 C ATOM 1655 CE1 TYR A 116 -20.389 2.098 -7.089 1.00 45.05 C ATOM 1656 CE2 TYR A 116 -21.886 3.671 -8.070 1.00 42.12 C ATOM 1657 CZ TYR A 116 -21.628 2.411 -7.581 1.00 15.23 C ATOM 1658 OH TYR A 116 -22.610 1.456 -7.594 1.00 14.13 O ATOM 0 H TYR A 116 -16.427 3.738 -8.244 1.00 0.12 H new ATOM 0 HA TYR A 116 -18.276 5.514 -9.711 1.00 44.52 H new ATOM 0 HB2 TYR A 116 -17.875 5.191 -6.708 1.00 20.04 H new ATOM 0 HB3 TYR A 116 -18.944 6.344 -7.480 1.00 20.04 H new ATOM 0 HD1 TYR A 116 -18.423 2.793 -6.692 1.00 21.41 H new ATOM 0 HD2 TYR A 116 -21.087 5.607 -8.458 1.00 50.30 H new ATOM 0 HE1 TYR A 116 -20.193 1.107 -6.706 1.00 45.05 H new ATOM 0 HE2 TYR A 116 -22.866 3.915 -8.452 1.00 42.12 H new ATOM 0 HH TYR A 116 -23.430 1.836 -7.973 1.00 14.13 H new ATOM 1668 N MET A 117 -16.435 7.134 -9.829 1.00 22.24 N ATOM 1669 CA MET A 117 -15.432 8.183 -9.888 1.00 43.42 C ATOM 1670 C MET A 117 -16.106 9.535 -9.864 1.00 14.13 C ATOM 1671 O MET A 117 -17.295 9.653 -10.210 1.00 34.25 O ATOM 1672 CB MET A 117 -14.498 8.070 -11.117 1.00 43.02 C ATOM 1673 CG MET A 117 -15.194 8.210 -12.438 1.00 1.30 C ATOM 1674 SD MET A 117 -14.077 8.217 -13.848 1.00 5.42 S ATOM 1675 CE MET A 117 -15.267 8.236 -15.180 1.00 41.41 C ATOM 0 H MET A 117 -17.026 7.067 -10.658 1.00 22.24 H new ATOM 0 HA MET A 117 -14.797 8.064 -9.010 1.00 43.42 H new ATOM 0 HB2 MET A 117 -13.726 8.836 -11.043 1.00 43.02 H new ATOM 0 HB3 MET A 117 -13.993 7.105 -11.087 1.00 43.02 H new ATOM 0 HG2 MET A 117 -15.904 7.391 -12.553 1.00 1.30 H new ATOM 0 HG3 MET A 117 -15.771 9.135 -12.438 1.00 1.30 H new ATOM 0 HE1 MET A 117 -15.203 7.302 -15.738 1.00 41.41 H new ATOM 0 HE2 MET A 117 -16.271 8.345 -14.770 1.00 41.41 H new ATOM 0 HE3 MET A 117 -15.054 9.072 -15.846 1.00 41.41 H new ATOM 1685 N TRP A 118 -15.377 10.529 -9.427 1.00 60.03 N ATOM 1686 CA TRP A 118 -15.879 11.881 -9.341 1.00 74.44 C ATOM 1687 C TRP A 118 -16.064 12.423 -10.767 1.00 62.04 C ATOM 1688 O TRP A 118 -15.145 12.337 -11.589 1.00 73.42 O ATOM 1689 CB TRP A 118 -14.902 12.735 -8.524 1.00 72.33 C ATOM 1690 CG TRP A 118 -15.429 14.072 -8.148 1.00 22.54 C ATOM 1691 CD1 TRP A 118 -14.986 15.284 -8.560 1.00 43.25 C ATOM 1692 CD2 TRP A 118 -16.516 14.314 -7.274 1.00 52.05 C ATOM 1693 NE1 TRP A 118 -15.741 16.271 -7.995 1.00 23.20 N ATOM 1694 CE2 TRP A 118 -16.689 15.702 -7.194 1.00 25.45 C ATOM 1695 CE3 TRP A 118 -17.361 13.483 -6.550 1.00 13.33 C ATOM 1696 CZ2 TRP A 118 -17.684 16.285 -6.412 1.00 30.54 C ATOM 1697 CZ3 TRP A 118 -18.339 14.045 -5.781 1.00 24.40 C ATOM 1698 CH2 TRP A 118 -18.502 15.437 -5.712 1.00 13.21 C ATOM 0 H TRP A 118 -14.411 10.425 -9.118 1.00 60.03 H new ATOM 0 HA TRP A 118 -16.843 11.910 -8.834 1.00 74.44 H new ATOM 0 HB2 TRP A 118 -14.635 12.194 -7.616 1.00 72.33 H new ATOM 0 HB3 TRP A 118 -13.985 12.867 -9.098 1.00 72.33 H new ATOM 0 HD1 TRP A 118 -14.159 15.445 -9.235 1.00 43.25 H new ATOM 0 HE1 TRP A 118 -15.617 17.272 -8.147 1.00 23.20 H new ATOM 0 HE3 TRP A 118 -17.246 12.410 -6.595 1.00 13.33 H new ATOM 0 HZ2 TRP A 118 -17.805 17.357 -6.360 1.00 30.54 H new ATOM 0 HZ3 TRP A 118 -19.000 13.406 -5.215 1.00 24.40 H new ATOM 0 HH2 TRP A 118 -19.287 15.848 -5.095 1.00 13.21 H new ATOM 1709 N ILE A 119 -17.237 12.969 -11.051 1.00 13.23 N ATOM 1710 CA ILE A 119 -17.596 13.350 -12.424 1.00 42.13 C ATOM 1711 C ILE A 119 -16.839 14.584 -12.882 1.00 60.22 C ATOM 1712 O ILE A 119 -16.329 14.632 -14.009 1.00 44.30 O ATOM 1713 CB ILE A 119 -19.136 13.633 -12.628 1.00 4.31 C ATOM 1714 CG1 ILE A 119 -20.038 12.476 -12.173 1.00 64.25 C ATOM 1715 CG2 ILE A 119 -19.424 13.925 -14.083 1.00 64.34 C ATOM 1716 CD1 ILE A 119 -20.151 12.292 -10.679 1.00 12.43 C ATOM 0 H ILE A 119 -17.960 13.161 -10.357 1.00 13.23 H new ATOM 0 HA ILE A 119 -17.320 12.481 -13.021 1.00 42.13 H new ATOM 0 HB ILE A 119 -19.366 14.495 -12.002 1.00 4.31 H new ATOM 0 HG12 ILE A 119 -21.037 12.635 -12.579 1.00 64.25 H new ATOM 0 HG13 ILE A 119 -19.661 11.551 -12.608 1.00 64.25 H new ATOM 0 HG21 ILE A 119 -20.489 14.119 -14.211 1.00 64.34 H new ATOM 0 HG22 ILE A 119 -18.856 14.800 -14.398 1.00 64.34 H new ATOM 0 HG23 ILE A 119 -19.135 13.067 -14.690 1.00 64.34 H new ATOM 0 HD11 ILE A 119 -20.810 11.450 -10.465 1.00 12.43 H new ATOM 0 HD12 ILE A 119 -19.164 12.096 -10.261 1.00 12.43 H new ATOM 0 HD13 ILE A 119 -20.561 13.197 -10.231 1.00 12.43 H new ATOM 1728 N ASN A 120 -16.736 15.565 -12.007 1.00 53.14 N ATOM 1729 CA ASN A 120 -16.077 16.814 -12.361 1.00 15.45 C ATOM 1730 C ASN A 120 -14.598 16.574 -12.481 1.00 13.13 C ATOM 1731 O ASN A 120 -13.935 17.150 -13.336 1.00 61.23 O ATOM 1732 CB ASN A 120 -16.346 17.904 -11.325 1.00 24.30 C ATOM 1733 CG ASN A 120 -15.775 19.256 -11.741 1.00 24.44 C ATOM 1734 OD1 ASN A 120 -15.707 19.580 -12.924 1.00 63.14 O ATOM 1735 ND2 ASN A 120 -15.336 20.028 -10.788 1.00 43.34 N ATOM 0 H ASN A 120 -17.095 15.526 -11.053 1.00 53.14 H new ATOM 0 HA ASN A 120 -16.479 17.158 -13.314 1.00 15.45 H new ATOM 0 HB2 ASN A 120 -17.421 17.998 -11.172 1.00 24.30 H new ATOM 0 HB3 ASN A 120 -15.913 17.608 -10.370 1.00 24.30 H new ATOM 0 HD21 ASN A 120 -14.921 20.932 -11.014 1.00 43.34 H new ATOM 0 HD22 ASN A 120 -15.408 19.729 -9.816 1.00 43.34 H new ATOM 1742 N LYS A 121 -14.098 15.704 -11.593 1.00 72.25 N ATOM 1743 CA LYS A 121 -12.692 15.214 -11.533 1.00 31.41 C ATOM 1744 C LYS A 121 -11.615 16.325 -11.511 1.00 21.23 C ATOM 1745 O LYS A 121 -10.426 16.033 -11.577 1.00 31.42 O ATOM 1746 CB LYS A 121 -12.415 14.150 -12.651 1.00 23.55 C ATOM 1747 CG LYS A 121 -12.530 14.659 -14.085 1.00 31.32 C ATOM 1748 CD LYS A 121 -12.466 13.547 -15.123 1.00 74.41 C ATOM 1749 CE LYS A 121 -13.628 12.562 -14.980 1.00 64.33 C ATOM 1750 NZ LYS A 121 -13.693 11.612 -16.113 1.00 44.35 N ATOM 0 H LYS A 121 -14.679 15.298 -10.860 1.00 72.25 H new ATOM 0 HA LYS A 121 -12.599 14.730 -10.561 1.00 31.41 H new ATOM 0 HB2 LYS A 121 -11.412 13.749 -12.506 1.00 23.55 H new ATOM 0 HB3 LYS A 121 -13.112 13.322 -12.521 1.00 23.55 H new ATOM 0 HG2 LYS A 121 -13.470 15.199 -14.198 1.00 31.32 H new ATOM 0 HG3 LYS A 121 -11.728 15.372 -14.276 1.00 31.32 H new ATOM 0 HD2 LYS A 121 -12.481 13.982 -16.122 1.00 74.41 H new ATOM 0 HD3 LYS A 121 -11.522 13.011 -15.023 1.00 74.41 H new ATOM 0 HE2 LYS A 121 -13.520 12.007 -14.048 1.00 64.33 H new ATOM 0 HE3 LYS A 121 -14.566 13.114 -14.916 1.00 64.33 H new ATOM 0 HZ1 LYS A 121 -14.682 11.500 -16.416 1.00 44.35 H new ATOM 0 HZ2 LYS A 121 -13.128 11.978 -16.906 1.00 44.35 H new ATOM 0 HZ3 LYS A 121 -13.315 10.690 -15.815 1.00 44.35 H new ATOM 1764 N ALA A 122 -12.027 17.575 -11.356 1.00 12.51 N ATOM 1765 CA ALA A 122 -11.096 18.687 -11.404 1.00 53.52 C ATOM 1766 C ALA A 122 -11.286 19.655 -10.239 1.00 3.10 C ATOM 1767 O ALA A 122 -10.766 20.775 -10.268 1.00 11.44 O ATOM 1768 CB ALA A 122 -11.244 19.420 -12.731 1.00 74.51 C ATOM 0 H ALA A 122 -12.998 17.842 -11.196 1.00 12.51 H new ATOM 0 HA ALA A 122 -10.089 18.280 -11.317 1.00 53.52 H new ATOM 0 HB1 ALA A 122 -10.544 20.255 -12.766 1.00 74.51 H new ATOM 0 HB2 ALA A 122 -11.031 18.734 -13.551 1.00 74.51 H new ATOM 0 HB3 ALA A 122 -12.262 19.796 -12.827 1.00 74.51 H new ATOM 1774 N ASP A 123 -12.024 19.239 -9.221 1.00 70.15 N ATOM 1775 CA ASP A 123 -12.208 20.076 -8.026 1.00 23.13 C ATOM 1776 C ASP A 123 -10.897 20.221 -7.283 1.00 42.24 C ATOM 1777 O ASP A 123 -10.294 19.225 -6.903 1.00 45.10 O ATOM 1778 CB ASP A 123 -13.276 19.509 -7.076 1.00 61.32 C ATOM 1779 CG ASP A 123 -14.677 19.664 -7.599 1.00 52.34 C ATOM 1780 OD1 ASP A 123 -15.133 18.813 -8.377 1.00 34.44 O ATOM 1781 OD2 ASP A 123 -15.347 20.653 -7.239 1.00 22.03 O ATOM 0 H ASP A 123 -12.504 18.339 -9.189 1.00 70.15 H new ATOM 0 HA ASP A 123 -12.552 21.052 -8.369 1.00 23.13 H new ATOM 0 HB2 ASP A 123 -13.075 18.452 -6.903 1.00 61.32 H new ATOM 0 HB3 ASP A 123 -13.198 20.010 -6.111 1.00 61.32 H new ATOM 1786 N PRO A 124 -10.414 21.459 -7.071 1.00 14.30 N ATOM 1787 CA PRO A 124 -9.136 21.704 -6.386 1.00 33.21 C ATOM 1788 C PRO A 124 -9.202 21.430 -4.886 1.00 31.33 C ATOM 1789 O PRO A 124 -8.182 21.499 -4.198 1.00 53.52 O ATOM 1790 CB PRO A 124 -8.865 23.201 -6.627 1.00 32.12 C ATOM 1791 CG PRO A 124 -9.855 23.623 -7.653 1.00 75.41 C ATOM 1792 CD PRO A 124 -11.036 22.723 -7.495 1.00 3.13 C ATOM 0 HA PRO A 124 -8.358 21.043 -6.767 1.00 33.21 H new ATOM 0 HB2 PRO A 124 -8.984 23.774 -5.708 1.00 32.12 H new ATOM 0 HB3 PRO A 124 -7.845 23.364 -6.975 1.00 32.12 H new ATOM 0 HG2 PRO A 124 -10.140 24.666 -7.512 1.00 75.41 H new ATOM 0 HG3 PRO A 124 -9.435 23.540 -8.655 1.00 75.41 H new ATOM 0 HD2 PRO A 124 -11.738 23.100 -6.751 1.00 3.13 H new ATOM 0 HD3 PRO A 124 -11.589 22.611 -8.427 1.00 3.13 H new ATOM 1800 N ASP A 125 -10.400 21.136 -4.386 1.00 53.20 N ATOM 1801 CA ASP A 125 -10.612 20.847 -2.959 1.00 32.25 C ATOM 1802 C ASP A 125 -9.789 19.658 -2.541 1.00 13.14 C ATOM 1803 O ASP A 125 -8.997 19.727 -1.602 1.00 55.13 O ATOM 1804 CB ASP A 125 -12.087 20.517 -2.666 1.00 61.01 C ATOM 1805 CG ASP A 125 -13.044 21.621 -2.997 1.00 53.30 C ATOM 1806 OD1 ASP A 125 -13.258 22.506 -2.155 1.00 64.31 O ATOM 1807 OD2 ASP A 125 -13.614 21.600 -4.090 1.00 43.10 O ATOM 0 H ASP A 125 -11.249 21.090 -4.949 1.00 53.20 H new ATOM 0 HA ASP A 125 -10.317 21.738 -2.405 1.00 32.25 H new ATOM 0 HB2 ASP A 125 -12.367 19.628 -3.231 1.00 61.01 H new ATOM 0 HB3 ASP A 125 -12.189 20.269 -1.610 1.00 61.01 H new ATOM 1812 N MET A 126 -9.959 18.588 -3.274 1.00 64.00 N ATOM 1813 CA MET A 126 -9.337 17.319 -2.975 1.00 64.45 C ATOM 1814 C MET A 126 -7.854 17.319 -3.289 1.00 24.23 C ATOM 1815 O MET A 126 -7.408 17.915 -4.276 1.00 2.32 O ATOM 1816 CB MET A 126 -10.031 16.213 -3.767 1.00 20.05 C ATOM 1817 CG MET A 126 -10.038 16.471 -5.264 1.00 15.20 C ATOM 1818 SD MET A 126 -10.874 15.206 -6.215 1.00 61.24 S ATOM 1819 CE MET A 126 -10.709 15.906 -7.845 1.00 3.54 C ATOM 0 H MET A 126 -10.543 18.571 -4.110 1.00 64.00 H new ATOM 0 HA MET A 126 -9.444 17.142 -1.905 1.00 64.45 H new ATOM 0 HB2 MET A 126 -9.532 15.264 -3.570 1.00 20.05 H new ATOM 0 HB3 MET A 126 -11.058 16.112 -3.416 1.00 20.05 H new ATOM 0 HG2 MET A 126 -10.517 17.431 -5.455 1.00 15.20 H new ATOM 0 HG3 MET A 126 -9.009 16.553 -5.613 1.00 15.20 H new ATOM 0 HE1 MET A 126 -11.697 16.126 -8.248 1.00 3.54 H new ATOM 0 HE2 MET A 126 -10.127 16.826 -7.789 1.00 3.54 H new ATOM 0 HE3 MET A 126 -10.202 15.195 -8.497 1.00 3.54 H new ATOM 2066 N LYS A 140 12.831 12.229 3.897 1.00 62.53 N ATOM 2067 CA LYS A 140 13.743 13.030 3.092 1.00 31.24 C ATOM 2068 C LYS A 140 15.098 13.107 3.759 1.00 53.40 C ATOM 2069 O LYS A 140 16.110 13.163 3.086 1.00 54.02 O ATOM 2070 CB LYS A 140 13.209 14.450 2.821 1.00 22.35 C ATOM 2071 CG LYS A 140 13.172 15.361 4.033 1.00 73.01 C ATOM 2072 CD LYS A 140 12.575 16.701 3.695 1.00 45.35 C ATOM 2073 CE LYS A 140 12.585 17.602 4.903 1.00 21.42 C ATOM 2074 NZ LYS A 140 11.984 18.914 4.620 1.00 30.44 N ATOM 0 HA LYS A 140 13.833 12.532 2.127 1.00 31.24 H new ATOM 0 HB2 LYS A 140 13.828 14.915 2.054 1.00 22.35 H new ATOM 0 HB3 LYS A 140 12.201 14.372 2.413 1.00 22.35 H new ATOM 0 HG2 LYS A 140 12.590 14.891 4.826 1.00 73.01 H new ATOM 0 HG3 LYS A 140 14.182 15.498 4.418 1.00 73.01 H new ATOM 0 HD2 LYS A 140 13.139 17.163 2.884 1.00 45.35 H new ATOM 0 HD3 LYS A 140 11.553 16.571 3.339 1.00 45.35 H new ATOM 0 HE2 LYS A 140 12.041 17.123 5.717 1.00 21.42 H new ATOM 0 HE3 LYS A 140 13.611 17.740 5.243 1.00 21.42 H new ATOM 0 HZ1 LYS A 140 12.012 19.501 5.478 1.00 30.44 H new ATOM 0 HZ2 LYS A 140 12.518 19.384 3.861 1.00 30.44 H new ATOM 0 HZ3 LYS A 140 10.996 18.786 4.320 1.00 30.44 H new ATOM 2088 N LYS A 141 15.095 13.093 5.110 1.00 64.42 N ATOM 2089 CA LYS A 141 16.305 13.253 5.934 1.00 34.00 C ATOM 2090 C LYS A 141 17.445 12.352 5.480 1.00 61.42 C ATOM 2091 O LYS A 141 18.602 12.750 5.548 1.00 22.51 O ATOM 2092 CB LYS A 141 16.018 13.000 7.413 1.00 52.32 C ATOM 2093 CG LYS A 141 14.979 13.931 8.034 1.00 73.31 C ATOM 2094 CD LYS A 141 14.824 13.671 9.533 1.00 73.22 C ATOM 2095 CE LYS A 141 14.415 12.232 9.815 1.00 73.12 C ATOM 2096 NZ LYS A 141 14.293 11.945 11.249 1.00 3.31 N ATOM 0 H LYS A 141 14.245 12.969 5.660 1.00 64.42 H new ATOM 0 HA LYS A 141 16.617 14.289 5.802 1.00 34.00 H new ATOM 0 HB2 LYS A 141 15.680 11.971 7.532 1.00 52.32 H new ATOM 0 HB3 LYS A 141 16.950 13.095 7.971 1.00 52.32 H new ATOM 0 HG2 LYS A 141 15.273 14.968 7.871 1.00 73.31 H new ATOM 0 HG3 LYS A 141 14.019 13.791 7.537 1.00 73.31 H new ATOM 0 HD2 LYS A 141 15.765 13.888 10.039 1.00 73.22 H new ATOM 0 HD3 LYS A 141 14.077 14.349 9.945 1.00 73.22 H new ATOM 0 HE2 LYS A 141 13.462 12.028 9.326 1.00 73.12 H new ATOM 0 HE3 LYS A 141 15.150 11.558 9.376 1.00 73.12 H new ATOM 0 HZ1 LYS A 141 14.013 10.952 11.382 1.00 3.31 H new ATOM 0 HZ2 LYS A 141 15.207 12.112 11.715 1.00 3.31 H new ATOM 0 HZ3 LYS A 141 13.572 12.567 11.667 1.00 3.31 H new ATOM 2110 N LYS A 142 17.108 11.155 5.014 1.00 53.20 N ATOM 2111 CA LYS A 142 18.091 10.208 4.501 1.00 55.14 C ATOM 2112 C LYS A 142 18.872 10.815 3.321 1.00 53.00 C ATOM 2113 O LYS A 142 20.107 10.733 3.256 1.00 12.41 O ATOM 2114 CB LYS A 142 17.393 8.912 4.058 1.00 63.03 C ATOM 2115 CG LYS A 142 18.337 7.855 3.515 1.00 73.25 C ATOM 2116 CD LYS A 142 19.356 7.459 4.559 1.00 10.14 C ATOM 2117 CE LYS A 142 20.324 6.441 4.025 1.00 43.33 C ATOM 2118 NZ LYS A 142 21.331 6.070 5.031 1.00 3.14 N ATOM 0 H LYS A 142 16.147 10.814 4.981 1.00 53.20 H new ATOM 0 HA LYS A 142 18.797 9.980 5.300 1.00 55.14 H new ATOM 0 HB2 LYS A 142 16.849 8.497 4.906 1.00 63.03 H new ATOM 0 HB3 LYS A 142 16.655 9.153 3.293 1.00 63.03 H new ATOM 0 HG2 LYS A 142 17.769 6.978 3.204 1.00 73.25 H new ATOM 0 HG3 LYS A 142 18.846 8.236 2.629 1.00 73.25 H new ATOM 0 HD2 LYS A 142 19.901 8.343 4.890 1.00 10.14 H new ATOM 0 HD3 LYS A 142 18.845 7.054 5.432 1.00 10.14 H new ATOM 0 HE2 LYS A 142 19.779 5.551 3.709 1.00 43.33 H new ATOM 0 HE3 LYS A 142 20.822 6.840 3.141 1.00 43.33 H new ATOM 0 HZ1 LYS A 142 21.982 5.366 4.628 1.00 3.14 H new ATOM 0 HZ2 LYS A 142 21.867 6.915 5.314 1.00 3.14 H new ATOM 0 HZ3 LYS A 142 20.857 5.666 5.864 1.00 3.14 H new ATOM 2132 N PHE A 143 18.149 11.437 2.418 1.00 54.14 N ATOM 2133 CA PHE A 143 18.733 12.060 1.243 1.00 30.52 C ATOM 2134 C PHE A 143 19.388 13.361 1.652 1.00 2.43 C ATOM 2135 O PHE A 143 20.440 13.748 1.125 1.00 2.34 O ATOM 2136 CB PHE A 143 17.650 12.334 0.193 1.00 34.33 C ATOM 2137 CG PHE A 143 16.871 11.118 -0.212 1.00 43.35 C ATOM 2138 CD1 PHE A 143 17.313 10.296 -1.232 1.00 61.14 C ATOM 2139 CD2 PHE A 143 15.692 10.794 0.438 1.00 41.11 C ATOM 2140 CE1 PHE A 143 16.592 9.177 -1.601 1.00 1.31 C ATOM 2141 CE2 PHE A 143 14.967 9.677 0.080 1.00 32.34 C ATOM 2142 CZ PHE A 143 15.417 8.865 -0.941 1.00 2.45 C ATOM 0 H PHE A 143 17.135 11.528 2.474 1.00 54.14 H new ATOM 0 HA PHE A 143 19.475 11.390 0.810 1.00 30.52 H new ATOM 0 HB2 PHE A 143 16.960 13.081 0.584 1.00 34.33 H new ATOM 0 HB3 PHE A 143 18.118 12.765 -0.692 1.00 34.33 H new ATOM 0 HD1 PHE A 143 18.233 10.532 -1.746 1.00 61.14 H new ATOM 0 HD2 PHE A 143 15.335 11.426 1.238 1.00 41.11 H new ATOM 0 HE1 PHE A 143 16.945 8.547 -2.404 1.00 1.31 H new ATOM 0 HE2 PHE A 143 14.049 9.438 0.597 1.00 32.34 H new ATOM 0 HZ PHE A 143 14.853 7.988 -1.224 1.00 2.45 H new ATOM 2152 N ILE A 144 18.767 14.024 2.626 1.00 20.33 N ATOM 2153 CA ILE A 144 19.267 15.278 3.148 1.00 72.21 C ATOM 2154 C ILE A 144 20.651 15.080 3.758 1.00 52.00 C ATOM 2155 O ILE A 144 21.472 15.943 3.655 1.00 75.34 O ATOM 2156 CB ILE A 144 18.312 15.921 4.207 1.00 15.00 C ATOM 2157 CG1 ILE A 144 16.888 16.097 3.647 1.00 15.53 C ATOM 2158 CG2 ILE A 144 18.850 17.272 4.684 1.00 1.11 C ATOM 2159 CD1 ILE A 144 16.787 16.946 2.397 1.00 60.44 C ATOM 0 H ILE A 144 17.907 13.702 3.069 1.00 20.33 H new ATOM 0 HA ILE A 144 19.324 15.967 2.305 1.00 72.21 H new ATOM 0 HB ILE A 144 18.268 15.239 5.056 1.00 15.00 H new ATOM 0 HG12 ILE A 144 16.475 15.111 3.432 1.00 15.53 H new ATOM 0 HG13 ILE A 144 16.263 16.542 4.421 1.00 15.53 H new ATOM 0 HG21 ILE A 144 18.167 17.697 5.419 1.00 1.11 H new ATOM 0 HG22 ILE A 144 19.831 17.133 5.138 1.00 1.11 H new ATOM 0 HG23 ILE A 144 18.936 17.950 3.835 1.00 1.11 H new ATOM 0 HD11 ILE A 144 15.745 17.009 2.083 1.00 60.44 H new ATOM 0 HD12 ILE A 144 17.164 17.947 2.606 1.00 60.44 H new ATOM 0 HD13 ILE A 144 17.379 16.494 1.601 1.00 60.44 H new ATOM 2171 N GLU A 145 20.907 13.900 4.366 1.00 13.30 N ATOM 2172 CA GLU A 145 22.232 13.601 4.964 1.00 30.40 C ATOM 2173 C GLU A 145 23.348 13.803 3.941 1.00 41.21 C ATOM 2174 O GLU A 145 24.440 14.264 4.282 1.00 72.51 O ATOM 2175 CB GLU A 145 22.320 12.163 5.503 1.00 24.52 C ATOM 2176 CG GLU A 145 21.337 11.803 6.603 1.00 42.33 C ATOM 2177 CD GLU A 145 21.549 10.396 7.131 1.00 30.00 C ATOM 2178 OE1 GLU A 145 21.198 9.422 6.433 1.00 33.11 O ATOM 2179 OE2 GLU A 145 22.094 10.245 8.254 1.00 43.23 O ATOM 0 H GLU A 145 20.225 13.147 4.456 1.00 13.30 H new ATOM 0 HA GLU A 145 22.353 14.294 5.797 1.00 30.40 H new ATOM 0 HB2 GLU A 145 22.172 11.475 4.671 1.00 24.52 H new ATOM 0 HB3 GLU A 145 23.330 11.998 5.877 1.00 24.52 H new ATOM 0 HG2 GLU A 145 21.437 12.515 7.423 1.00 42.33 H new ATOM 0 HG3 GLU A 145 20.320 11.896 6.222 1.00 42.33 H new ATOM 2186 N THR A 146 23.062 13.472 2.696 1.00 42.25 N ATOM 2187 CA THR A 146 24.016 13.614 1.636 1.00 54.14 C ATOM 2188 C THR A 146 24.241 15.110 1.324 1.00 41.31 C ATOM 2189 O THR A 146 25.377 15.576 1.256 1.00 72.34 O ATOM 2190 CB THR A 146 23.520 12.864 0.380 1.00 34.04 C ATOM 2191 OG1 THR A 146 23.220 11.501 0.748 1.00 73.24 O ATOM 2192 CG2 THR A 146 24.584 12.860 -0.711 1.00 0.33 C ATOM 0 H THR A 146 22.160 13.098 2.401 1.00 42.25 H new ATOM 0 HA THR A 146 24.966 13.180 1.947 1.00 54.14 H new ATOM 0 HB THR A 146 22.633 13.368 -0.005 1.00 34.04 H new ATOM 0 HG1 THR A 146 22.902 11.012 -0.039 1.00 73.24 H new ATOM 0 HG21 THR A 146 24.208 12.326 -1.584 1.00 0.33 H new ATOM 0 HG22 THR A 146 24.823 13.886 -0.989 1.00 0.33 H new ATOM 0 HG23 THR A 146 25.482 12.365 -0.341 1.00 0.33 H new ATOM 2200 N PHE A 147 23.156 15.863 1.191 1.00 31.41 N ATOM 2201 CA PHE A 147 23.261 17.295 0.924 1.00 22.12 C ATOM 2202 C PHE A 147 23.741 18.085 2.108 1.00 52.44 C ATOM 2203 O PHE A 147 24.394 19.107 1.947 1.00 13.54 O ATOM 2204 CB PHE A 147 22.008 17.884 0.305 1.00 14.31 C ATOM 2205 CG PHE A 147 21.888 17.515 -1.129 1.00 25.13 C ATOM 2206 CD1 PHE A 147 22.718 18.122 -2.046 1.00 60.12 C ATOM 2207 CD2 PHE A 147 20.985 16.561 -1.566 1.00 32.14 C ATOM 2208 CE1 PHE A 147 22.665 17.805 -3.370 1.00 70.13 C ATOM 2209 CE2 PHE A 147 20.918 16.229 -2.906 1.00 42.43 C ATOM 2210 CZ PHE A 147 21.761 16.853 -3.814 1.00 71.04 C ATOM 0 H PHE A 147 22.201 15.512 1.263 1.00 31.41 H new ATOM 0 HA PHE A 147 24.040 17.384 0.166 1.00 22.12 H new ATOM 0 HB2 PHE A 147 21.131 17.531 0.848 1.00 14.31 H new ATOM 0 HB3 PHE A 147 22.027 18.969 0.403 1.00 14.31 H new ATOM 0 HD1 PHE A 147 23.426 18.865 -1.708 1.00 60.12 H new ATOM 0 HD2 PHE A 147 20.331 16.075 -0.858 1.00 32.14 H new ATOM 0 HE1 PHE A 147 23.325 18.294 -4.071 1.00 70.13 H new ATOM 0 HE2 PHE A 147 20.211 15.486 -3.245 1.00 42.43 H new ATOM 0 HZ PHE A 147 21.713 16.598 -4.862 1.00 71.04 H new ATOM 2220 N LYS A 148 23.422 17.613 3.282 1.00 73.33 N ATOM 2221 CA LYS A 148 23.896 18.185 4.517 1.00 22.22 C ATOM 2222 C LYS A 148 25.420 18.197 4.505 1.00 1.03 C ATOM 2223 O LYS A 148 26.052 19.195 4.830 1.00 61.41 O ATOM 2224 CB LYS A 148 23.386 17.341 5.691 1.00 24.42 C ATOM 2225 CG LYS A 148 23.878 17.779 7.054 1.00 73.25 C ATOM 2226 CD LYS A 148 23.304 16.894 8.140 1.00 44.40 C ATOM 2227 CE LYS A 148 23.861 17.251 9.500 1.00 12.53 C ATOM 2228 NZ LYS A 148 25.325 17.024 9.584 1.00 64.24 N ATOM 0 H LYS A 148 22.814 16.805 3.412 1.00 73.33 H new ATOM 0 HA LYS A 148 23.528 19.205 4.625 1.00 22.22 H new ATOM 0 HB2 LYS A 148 22.296 17.365 5.690 1.00 24.42 H new ATOM 0 HB3 LYS A 148 23.683 16.305 5.530 1.00 24.42 H new ATOM 0 HG2 LYS A 148 24.967 17.739 7.083 1.00 73.25 H new ATOM 0 HG3 LYS A 148 23.592 18.815 7.234 1.00 73.25 H new ATOM 0 HD2 LYS A 148 22.218 16.991 8.154 1.00 44.40 H new ATOM 0 HD3 LYS A 148 23.528 15.851 7.917 1.00 44.40 H new ATOM 0 HE2 LYS A 148 23.644 18.297 9.716 1.00 12.53 H new ATOM 0 HE3 LYS A 148 23.359 16.657 10.264 1.00 12.53 H new ATOM 0 HZ1 LYS A 148 25.608 16.949 10.582 1.00 64.24 H new ATOM 0 HZ2 LYS A 148 25.569 16.143 9.088 1.00 64.24 H new ATOM 0 HZ3 LYS A 148 25.826 17.820 9.141 1.00 64.24 H new ATOM 2242 N LYS A 149 25.980 17.091 4.041 1.00 21.21 N ATOM 2243 CA LYS A 149 27.411 16.881 3.992 1.00 40.42 C ATOM 2244 C LYS A 149 28.010 17.785 2.906 1.00 55.14 C ATOM 2245 O LYS A 149 29.077 18.373 3.081 1.00 74.02 O ATOM 2246 CB LYS A 149 27.659 15.367 3.736 1.00 72.43 C ATOM 2247 CG LYS A 149 29.094 14.833 3.877 1.00 13.21 C ATOM 2248 CD LYS A 149 30.039 15.287 2.784 1.00 74.42 C ATOM 2249 CE LYS A 149 31.398 14.645 2.975 1.00 3.44 C ATOM 2250 NZ LYS A 149 32.350 15.011 1.914 1.00 12.32 N ATOM 0 H LYS A 149 25.440 16.303 3.683 1.00 21.21 H new ATOM 0 HA LYS A 149 27.901 17.148 4.928 1.00 40.42 H new ATOM 0 HB2 LYS A 149 27.025 14.805 4.422 1.00 72.43 H new ATOM 0 HB3 LYS A 149 27.316 15.139 2.727 1.00 72.43 H new ATOM 0 HG2 LYS A 149 29.494 15.149 4.841 1.00 13.21 H new ATOM 0 HG3 LYS A 149 29.064 13.743 3.886 1.00 13.21 H new ATOM 0 HD2 LYS A 149 29.635 15.019 1.808 1.00 74.42 H new ATOM 0 HD3 LYS A 149 30.135 16.373 2.802 1.00 74.42 H new ATOM 0 HE2 LYS A 149 31.804 14.943 3.941 1.00 3.44 H new ATOM 0 HE3 LYS A 149 31.284 13.561 2.998 1.00 3.44 H new ATOM 0 HZ1 LYS A 149 33.263 14.546 2.091 1.00 12.32 H new ATOM 0 HZ2 LYS A 149 31.978 14.703 0.993 1.00 12.32 H new ATOM 0 HZ3 LYS A 149 32.482 16.043 1.907 1.00 12.32 H new ATOM 2264 N ILE A 150 27.287 17.918 1.805 1.00 61.03 N ATOM 2265 CA ILE A 150 27.688 18.790 0.706 1.00 30.23 C ATOM 2266 C ILE A 150 27.670 20.267 1.158 1.00 54.12 C ATOM 2267 O ILE A 150 28.586 21.039 0.853 1.00 14.11 O ATOM 2268 CB ILE A 150 26.787 18.560 -0.557 1.00 4.10 C ATOM 2269 CG1 ILE A 150 26.955 17.106 -1.032 1.00 4.53 C ATOM 2270 CG2 ILE A 150 27.144 19.536 -1.681 1.00 30.44 C ATOM 2271 CD1 ILE A 150 26.047 16.709 -2.168 1.00 40.32 C ATOM 0 H ILE A 150 26.407 17.427 1.646 1.00 61.03 H new ATOM 0 HA ILE A 150 28.709 18.539 0.421 1.00 30.23 H new ATOM 0 HB ILE A 150 25.747 18.742 -0.287 1.00 4.10 H new ATOM 0 HG12 ILE A 150 27.989 16.956 -1.341 1.00 4.53 H new ATOM 0 HG13 ILE A 150 26.774 16.439 -0.189 1.00 4.53 H new ATOM 0 HG21 ILE A 150 26.502 19.350 -2.542 1.00 30.44 H new ATOM 0 HG22 ILE A 150 26.999 20.559 -1.334 1.00 30.44 H new ATOM 0 HG23 ILE A 150 28.186 19.394 -1.969 1.00 30.44 H new ATOM 0 HD11 ILE A 150 26.234 15.669 -2.437 1.00 40.32 H new ATOM 0 HD12 ILE A 150 25.008 16.823 -1.860 1.00 40.32 H new ATOM 0 HD13 ILE A 150 26.242 17.347 -3.030 1.00 40.32 H new ATOM 2283 N MET A 151 26.652 20.640 1.923 1.00 51.42 N ATOM 2284 CA MET A 151 26.548 21.996 2.454 1.00 44.42 C ATOM 2285 C MET A 151 27.638 22.260 3.476 1.00 51.54 C ATOM 2286 O MET A 151 28.196 23.360 3.529 1.00 23.54 O ATOM 2287 CB MET A 151 25.165 22.287 3.051 1.00 32.32 C ATOM 2288 CG MET A 151 24.031 22.261 2.038 1.00 72.01 C ATOM 2289 SD MET A 151 22.422 22.680 2.755 1.00 71.42 S ATOM 2290 CE MET A 151 22.222 21.376 3.967 1.00 74.14 C ATOM 0 H MET A 151 25.885 20.023 2.191 1.00 51.42 H new ATOM 0 HA MET A 151 26.683 22.676 1.613 1.00 44.42 H new ATOM 0 HB2 MET A 151 24.957 21.555 3.831 1.00 32.32 H new ATOM 0 HB3 MET A 151 25.187 23.266 3.530 1.00 32.32 H new ATOM 0 HG2 MET A 151 24.256 22.961 1.233 1.00 72.01 H new ATOM 0 HG3 MET A 151 23.975 21.268 1.591 1.00 72.01 H new ATOM 0 HE1 MET A 151 21.236 21.453 4.425 1.00 74.14 H new ATOM 0 HE2 MET A 151 22.321 20.407 3.478 1.00 74.14 H new ATOM 0 HE3 MET A 151 22.988 21.474 4.736 1.00 74.14 H new ATOM 2300 N GLU A 152 27.955 21.259 4.276 1.00 33.50 N ATOM 2301 CA GLU A 152 29.039 21.376 5.232 1.00 43.05 C ATOM 2302 C GLU A 152 30.384 21.468 4.524 1.00 43.42 C ATOM 2303 O GLU A 152 31.303 22.117 5.006 1.00 41.31 O ATOM 2304 CB GLU A 152 29.022 20.244 6.268 1.00 63.34 C ATOM 2305 CG GLU A 152 27.826 20.293 7.212 1.00 64.31 C ATOM 2306 CD GLU A 152 27.807 19.165 8.208 1.00 74.43 C ATOM 2307 OE1 GLU A 152 28.534 19.238 9.222 1.00 11.23 O ATOM 2308 OE2 GLU A 152 27.059 18.197 8.011 1.00 10.41 O ATOM 0 H GLU A 152 27.478 20.357 4.283 1.00 33.50 H new ATOM 0 HA GLU A 152 28.886 22.304 5.782 1.00 43.05 H new ATOM 0 HB2 GLU A 152 29.023 19.287 5.747 1.00 63.34 H new ATOM 0 HB3 GLU A 152 29.939 20.288 6.856 1.00 63.34 H new ATOM 0 HG2 GLU A 152 27.834 21.242 7.748 1.00 64.31 H new ATOM 0 HG3 GLU A 152 26.908 20.266 6.625 1.00 64.31 H new ATOM 2315 N CYS A 153 30.485 20.834 3.386 1.00 63.32 N ATOM 2316 CA CYS A 153 31.692 20.876 2.592 1.00 4.44 C ATOM 2317 C CYS A 153 31.885 22.254 1.933 1.00 0.14 C ATOM 2318 O CYS A 153 32.977 22.827 1.982 1.00 51.30 O ATOM 2319 CB CYS A 153 31.667 19.778 1.527 1.00 1.25 C ATOM 2320 SG CYS A 153 33.182 19.655 0.544 1.00 15.32 S ATOM 0 H CYS A 153 29.736 20.273 2.980 1.00 63.32 H new ATOM 0 HA CYS A 153 32.536 20.704 3.260 1.00 4.44 H new ATOM 0 HB2 CYS A 153 31.486 18.820 2.014 1.00 1.25 H new ATOM 0 HB3 CYS A 153 30.827 19.958 0.856 1.00 1.25 H new ATOM 0 HG CYS A 153 33.059 18.696 -0.325 1.00 15.32 H new ATOM 2326 N LYS A 154 30.830 22.779 1.324 1.00 65.23 N ATOM 2327 CA LYS A 154 30.917 24.047 0.592 1.00 43.42 C ATOM 2328 C LYS A 154 30.852 25.258 1.510 1.00 51.54 C ATOM 2329 O LYS A 154 31.634 26.195 1.371 1.00 52.34 O ATOM 2330 CB LYS A 154 29.789 24.144 -0.441 1.00 61.20 C ATOM 2331 CG LYS A 154 29.813 23.073 -1.521 1.00 53.33 C ATOM 2332 CD LYS A 154 31.067 23.169 -2.375 1.00 20.43 C ATOM 2333 CE LYS A 154 31.063 22.141 -3.501 1.00 41.14 C ATOM 2334 NZ LYS A 154 32.280 22.225 -4.346 1.00 11.34 N ATOM 0 H LYS A 154 29.904 22.352 1.319 1.00 65.23 H new ATOM 0 HA LYS A 154 31.887 24.053 0.096 1.00 43.42 H new ATOM 0 HB2 LYS A 154 28.833 24.091 0.081 1.00 61.20 H new ATOM 0 HB3 LYS A 154 29.838 25.122 -0.919 1.00 61.20 H new ATOM 0 HG2 LYS A 154 29.762 22.087 -1.058 1.00 53.33 H new ATOM 0 HG3 LYS A 154 28.932 23.174 -2.154 1.00 53.33 H new ATOM 0 HD2 LYS A 154 31.144 24.171 -2.797 1.00 20.43 H new ATOM 0 HD3 LYS A 154 31.946 23.019 -1.748 1.00 20.43 H new ATOM 0 HE2 LYS A 154 30.987 21.140 -3.076 1.00 41.14 H new ATOM 0 HE3 LYS A 154 30.181 22.291 -4.123 1.00 41.14 H new ATOM 0 HZ1 LYS A 154 32.231 21.507 -5.097 1.00 11.34 H new ATOM 0 HZ2 LYS A 154 32.341 23.171 -4.774 1.00 11.34 H new ATOM 0 HZ3 LYS A 154 33.122 22.056 -3.760 1.00 11.34 H new