USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 953 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 18 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 GLN : amide:sc= -0.389 K(o=-1.1,f=-1.7) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= -0.745 USER MOD Single : A 10 GLN : amide:sc= -0.229 K(o=-0.23,f=0.49) USER MOD Single : A 11 THR OG1 : rot -170:sc= -0.684 USER MOD Single : A 21 GLN : amide:sc= -0.117 X(o=-0.12,f=0.14) USER MOD Single : A 27 THR OG1 : rot 103:sc= 1.29 USER MOD Single : A 29 SER OG : rot -26:sc= -0.377 USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= 0.251 (180deg=-1.36) USER MOD Single : A 38 TYR OH : rot 165:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.31 K(o=-2.3,f=-4.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 120:sc= -0.0453 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.33) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 79 SER OG : rot 136:sc= 0.043 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc=-0.00765 X(o=-0.0076,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 87 MET CE :methyl -141:sc= -0.268 (180deg=-1.44!) USER MOD Single : A 88 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 89 LYS NZ :NH3+ -149:sc= 0.323 (180deg=0.0871) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.077) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.544 (180deg=-1.12) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.34) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.5) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 4 2.191 -4.803 -10.970 1.00 13.11 N ATOM 58 CA GLY A 4 2.092 -5.446 -12.267 1.00 73.10 C ATOM 59 C GLY A 4 0.655 -5.688 -12.686 1.00 42.53 C ATOM 60 O GLY A 4 0.384 -6.525 -13.548 1.00 24.33 O ATOM 0 HA2 GLY A 4 2.586 -4.826 -13.015 1.00 73.10 H new ATOM 0 HA3 GLY A 4 2.624 -6.397 -12.239 1.00 73.10 H new ATOM 64 N LEU A 5 -0.269 -4.954 -12.076 1.00 3.21 N ATOM 65 CA LEU A 5 -1.687 -5.093 -12.390 1.00 24.25 C ATOM 66 C LEU A 5 -2.259 -3.782 -12.919 1.00 23.03 C ATOM 67 O LEU A 5 -1.699 -2.711 -12.686 1.00 21.31 O ATOM 68 CB LEU A 5 -2.462 -5.537 -11.148 1.00 75.22 C ATOM 69 CG LEU A 5 -3.068 -6.940 -11.202 1.00 32.25 C ATOM 70 CD1 LEU A 5 -4.222 -6.986 -12.191 1.00 61.24 C ATOM 71 CD2 LEU A 5 -2.006 -7.966 -11.569 1.00 72.15 C ATOM 0 H LEU A 5 -0.062 -4.257 -11.361 1.00 3.21 H new ATOM 0 HA LEU A 5 -1.790 -5.851 -13.166 1.00 24.25 H new ATOM 0 HB2 LEU A 5 -1.793 -5.484 -10.289 1.00 75.22 H new ATOM 0 HB3 LEU A 5 -3.266 -4.822 -10.971 1.00 75.22 H new ATOM 0 HG LEU A 5 -3.455 -7.186 -10.213 1.00 32.25 H new ATOM 0 HD11 LEU A 5 -4.640 -7.992 -12.216 1.00 61.24 H new ATOM 0 HD12 LEU A 5 -4.993 -6.280 -11.883 1.00 61.24 H new ATOM 0 HD13 LEU A 5 -3.861 -6.719 -13.184 1.00 61.24 H new ATOM 0 HD21 LEU A 5 -2.455 -8.959 -11.603 1.00 72.15 H new ATOM 0 HD22 LEU A 5 -1.588 -7.723 -12.546 1.00 72.15 H new ATOM 0 HD23 LEU A 5 -1.213 -7.952 -10.821 1.00 72.15 H new ATOM 83 N GLU A 6 -3.378 -3.875 -13.630 1.00 12.23 N ATOM 84 CA GLU A 6 -4.026 -2.695 -14.190 1.00 53.02 C ATOM 85 C GLU A 6 -5.402 -2.481 -13.565 1.00 61.31 C ATOM 86 O GLU A 6 -6.261 -3.362 -13.615 1.00 12.24 O ATOM 87 CB GLU A 6 -4.160 -2.832 -15.708 1.00 44.24 C ATOM 88 CG GLU A 6 -2.837 -3.072 -16.416 1.00 62.33 C ATOM 89 CD GLU A 6 -2.978 -3.088 -17.926 1.00 64.50 C ATOM 90 OE1 GLU A 6 -3.232 -4.176 -18.486 1.00 5.41 O ATOM 91 OE2 GLU A 6 -2.834 -2.015 -18.547 1.00 63.04 O ATOM 0 H GLU A 6 -3.854 -4.754 -13.832 1.00 12.23 H new ATOM 0 HA GLU A 6 -3.404 -1.829 -13.963 1.00 53.02 H new ATOM 0 HB2 GLU A 6 -4.837 -3.656 -15.932 1.00 44.24 H new ATOM 0 HB3 GLU A 6 -4.617 -1.927 -16.107 1.00 44.24 H new ATOM 0 HG2 GLU A 6 -2.129 -2.294 -16.129 1.00 62.33 H new ATOM 0 HG3 GLU A 6 -2.418 -4.022 -16.084 1.00 62.33 H new ATOM 98 N ILE A 7 -5.602 -1.307 -12.977 1.00 40.43 N ATOM 99 CA ILE A 7 -6.872 -0.977 -12.343 1.00 52.21 C ATOM 100 C ILE A 7 -7.357 0.405 -12.769 1.00 70.21 C ATOM 101 O ILE A 7 -6.557 1.311 -13.000 1.00 22.30 O ATOM 102 CB ILE A 7 -6.763 -1.019 -10.807 1.00 65.04 C ATOM 103 CG1 ILE A 7 -5.426 -0.429 -10.353 1.00 63.35 C ATOM 104 CG2 ILE A 7 -6.916 -2.447 -10.305 1.00 1.34 C ATOM 105 CD1 ILE A 7 -4.312 -1.450 -10.271 1.00 11.43 C ATOM 0 H ILE A 7 -4.901 -0.568 -12.926 1.00 40.43 H new ATOM 0 HA ILE A 7 -7.591 -1.729 -12.669 1.00 52.21 H new ATOM 0 HB ILE A 7 -7.567 -0.417 -10.383 1.00 65.04 H new ATOM 0 HG12 ILE A 7 -5.133 0.361 -11.044 1.00 63.35 H new ATOM 0 HG13 ILE A 7 -5.556 0.035 -9.375 1.00 63.35 H new ATOM 0 HG21 ILE A 7 -6.837 -2.461 -9.218 1.00 1.34 H new ATOM 0 HG22 ILE A 7 -7.890 -2.835 -10.603 1.00 1.34 H new ATOM 0 HG23 ILE A 7 -6.131 -3.070 -10.734 1.00 1.34 H new ATOM 0 HD11 ILE A 7 -3.394 -0.962 -9.943 1.00 11.43 H new ATOM 0 HD12 ILE A 7 -4.584 -2.228 -9.558 1.00 11.43 H new ATOM 0 HD13 ILE A 7 -4.155 -1.896 -11.253 1.00 11.43 H new ATOM 117 N ALA A 8 -8.673 0.559 -12.869 1.00 52.05 N ATOM 118 CA ALA A 8 -9.265 1.831 -13.264 1.00 14.33 C ATOM 119 C ALA A 8 -10.219 2.348 -12.192 1.00 54.22 C ATOM 120 O ALA A 8 -10.918 1.571 -11.542 1.00 34.12 O ATOM 121 CB ALA A 8 -9.991 1.686 -14.593 1.00 44.34 C ATOM 0 H ALA A 8 -9.349 -0.181 -12.682 1.00 52.05 H new ATOM 0 HA ALA A 8 -8.461 2.557 -13.380 1.00 14.33 H new ATOM 0 HB1 ALA A 8 -10.428 2.644 -14.875 1.00 44.34 H new ATOM 0 HB2 ALA A 8 -9.285 1.369 -15.361 1.00 44.34 H new ATOM 0 HB3 ALA A 8 -10.781 0.941 -14.497 1.00 44.34 H new ATOM 127 N PHE A 9 -10.243 3.665 -12.013 1.00 20.31 N ATOM 128 CA PHE A 9 -11.110 4.285 -11.018 1.00 54.45 C ATOM 129 C PHE A 9 -11.887 5.450 -11.625 1.00 50.34 C ATOM 130 O PHE A 9 -11.335 6.252 -12.378 1.00 63.35 O ATOM 131 CB PHE A 9 -10.286 4.774 -9.825 1.00 72.34 C ATOM 132 CG PHE A 9 -11.104 5.477 -8.780 1.00 24.34 C ATOM 133 CD1 PHE A 9 -12.183 4.844 -8.185 1.00 15.32 C ATOM 134 CD2 PHE A 9 -10.792 6.770 -8.391 1.00 62.50 C ATOM 135 CE1 PHE A 9 -12.938 5.489 -7.223 1.00 3.31 C ATOM 136 CE2 PHE A 9 -11.542 7.419 -7.429 1.00 52.52 C ATOM 137 CZ PHE A 9 -12.616 6.778 -6.844 1.00 20.13 C ATOM 0 H PHE A 9 -9.672 4.323 -12.544 1.00 20.31 H new ATOM 0 HA PHE A 9 -11.822 3.534 -10.675 1.00 54.45 H new ATOM 0 HB2 PHE A 9 -9.782 3.922 -9.368 1.00 72.34 H new ATOM 0 HB3 PHE A 9 -9.509 5.450 -10.183 1.00 72.34 H new ATOM 0 HD1 PHE A 9 -12.437 3.835 -8.476 1.00 15.32 H new ATOM 0 HD2 PHE A 9 -9.953 7.276 -8.845 1.00 62.50 H new ATOM 0 HE1 PHE A 9 -13.779 4.986 -6.768 1.00 3.31 H new ATOM 0 HE2 PHE A 9 -11.288 8.427 -7.135 1.00 52.52 H new ATOM 0 HZ PHE A 9 -13.203 7.283 -6.092 1.00 20.13 H new ATOM 147 N GLN A 10 -13.171 5.536 -11.292 1.00 23.42 N ATOM 148 CA GLN A 10 -14.024 6.601 -11.805 1.00 4.22 C ATOM 149 C GLN A 10 -14.277 7.658 -10.735 1.00 43.41 C ATOM 150 O GLN A 10 -14.112 7.402 -9.542 1.00 13.22 O ATOM 151 CB GLN A 10 -15.354 6.027 -12.296 1.00 24.22 C ATOM 152 CG GLN A 10 -16.149 5.319 -11.210 1.00 44.33 C ATOM 153 CD GLN A 10 -17.642 5.342 -11.472 1.00 24.41 C ATOM 154 OE1 GLN A 10 -18.095 5.035 -12.575 1.00 20.31 O ATOM 155 NE2 GLN A 10 -18.416 5.706 -10.456 1.00 65.31 N ATOM 0 H GLN A 10 -13.643 4.881 -10.669 1.00 23.42 H new ATOM 0 HA GLN A 10 -13.509 7.073 -12.642 1.00 4.22 H new ATOM 0 HB2 GLN A 10 -15.958 6.835 -12.709 1.00 24.22 H new ATOM 0 HB3 GLN A 10 -15.160 5.326 -13.108 1.00 24.22 H new ATOM 0 HG2 GLN A 10 -15.813 4.285 -11.135 1.00 44.33 H new ATOM 0 HG3 GLN A 10 -15.945 5.791 -10.249 1.00 44.33 H new ATOM 0 HE21 GLN A 10 -17.998 5.952 -9.559 1.00 65.31 H new ATOM 0 HE22 GLN A 10 -19.429 5.739 -10.573 1.00 65.31 H new ATOM 164 N THR A 11 -14.678 8.849 -11.170 1.00 4.11 N ATOM 165 CA THR A 11 -14.952 9.946 -10.250 1.00 61.03 C ATOM 166 C THR A 11 -15.862 10.987 -10.892 1.00 60.01 C ATOM 167 O THR A 11 -15.734 11.290 -12.079 1.00 3.03 O ATOM 168 CB THR A 11 -13.652 10.631 -9.790 1.00 3.52 C ATOM 169 OG1 THR A 11 -13.947 11.915 -9.227 1.00 71.40 O ATOM 170 CG2 THR A 11 -12.684 10.793 -10.952 1.00 62.42 C ATOM 0 H THR A 11 -14.820 9.078 -12.154 1.00 4.11 H new ATOM 0 HA THR A 11 -15.453 9.514 -9.383 1.00 61.03 H new ATOM 0 HB THR A 11 -13.185 10.001 -9.033 1.00 3.52 H new ATOM 0 HG1 THR A 11 -13.113 12.408 -9.083 1.00 71.40 H new ATOM 0 HG21 THR A 11 -11.773 11.279 -10.602 1.00 62.42 H new ATOM 0 HG22 THR A 11 -12.438 9.813 -11.360 1.00 62.42 H new ATOM 0 HG23 THR A 11 -13.146 11.403 -11.728 1.00 62.42 H new ATOM 178 N ILE A 12 -16.780 11.531 -10.101 1.00 12.50 N ATOM 179 CA ILE A 12 -17.710 12.540 -10.593 1.00 13.33 C ATOM 180 C ILE A 12 -17.931 13.636 -9.556 1.00 13.33 C ATOM 181 O ILE A 12 -17.523 14.780 -9.750 1.00 54.45 O ATOM 182 CB ILE A 12 -19.070 11.919 -10.964 1.00 43.24 C ATOM 183 CG1 ILE A 12 -18.865 10.604 -11.719 1.00 42.11 C ATOM 184 CG2 ILE A 12 -19.887 12.894 -11.800 1.00 24.24 C ATOM 185 CD1 ILE A 12 -18.837 9.389 -10.819 1.00 21.22 C ATOM 0 H ILE A 12 -16.900 11.290 -9.117 1.00 12.50 H new ATOM 0 HA ILE A 12 -17.261 12.973 -11.487 1.00 13.33 H new ATOM 0 HB ILE A 12 -19.619 11.708 -10.047 1.00 43.24 H new ATOM 0 HG12 ILE A 12 -19.664 10.486 -12.451 1.00 42.11 H new ATOM 0 HG13 ILE A 12 -17.929 10.656 -12.275 1.00 42.11 H new ATOM 0 HG21 ILE A 12 -20.845 12.441 -12.054 1.00 24.24 H new ATOM 0 HG22 ILE A 12 -20.057 13.808 -11.230 1.00 24.24 H new ATOM 0 HG23 ILE A 12 -19.344 13.133 -12.715 1.00 24.24 H new ATOM 0 HD11 ILE A 12 -18.688 8.493 -11.422 1.00 21.22 H new ATOM 0 HD12 ILE A 12 -18.020 9.485 -10.104 1.00 21.22 H new ATOM 0 HD13 ILE A 12 -19.782 9.312 -10.282 1.00 21.22 H new ATOM 237 N ASP A 16 -15.236 12.819 -4.758 1.00 35.24 N ATOM 238 CA ASP A 16 -14.368 11.817 -5.364 1.00 25.21 C ATOM 239 C ASP A 16 -13.118 12.465 -5.951 1.00 4.11 C ATOM 240 O ASP A 16 -12.026 11.901 -5.886 1.00 71.32 O ATOM 241 CB ASP A 16 -15.119 11.051 -6.454 1.00 35.14 C ATOM 242 CG ASP A 16 -14.421 9.763 -6.843 1.00 43.23 C ATOM 243 OD1 ASP A 16 -13.175 9.715 -6.761 1.00 53.20 O ATOM 244 OD2 ASP A 16 -15.119 8.803 -7.230 1.00 12.22 O ATOM 0 HA ASP A 16 -14.063 11.118 -4.585 1.00 25.21 H new ATOM 0 HB2 ASP A 16 -16.127 10.824 -6.106 1.00 35.14 H new ATOM 0 HB3 ASP A 16 -15.222 11.685 -7.334 1.00 35.14 H new ATOM 249 N GLU A 17 -13.286 13.653 -6.524 1.00 34.31 N ATOM 250 CA GLU A 17 -12.171 14.376 -7.124 1.00 15.01 C ATOM 251 C GLU A 17 -10.991 14.452 -6.160 1.00 42.32 C ATOM 252 O GLU A 17 -9.849 14.193 -6.539 1.00 43.02 O ATOM 253 CB GLU A 17 -12.607 15.786 -7.527 1.00 12.44 C ATOM 254 CG GLU A 17 -12.156 16.188 -8.921 1.00 13.01 C ATOM 255 CD GLU A 17 -12.167 17.690 -9.127 1.00 50.25 C ATOM 256 OE1 GLU A 17 -12.101 18.428 -8.123 1.00 12.44 O ATOM 257 OE2 GLU A 17 -12.241 18.127 -10.295 1.00 51.31 O ATOM 0 H GLU A 17 -14.183 14.135 -6.585 1.00 34.31 H new ATOM 0 HA GLU A 17 -11.856 13.833 -8.015 1.00 15.01 H new ATOM 0 HB2 GLU A 17 -13.694 15.850 -7.473 1.00 12.44 H new ATOM 0 HB3 GLU A 17 -12.209 16.500 -6.806 1.00 12.44 H new ATOM 0 HG2 GLU A 17 -11.150 15.808 -9.097 1.00 13.01 H new ATOM 0 HG3 GLU A 17 -12.807 15.719 -9.659 1.00 13.01 H new ATOM 264 N SER A 18 -11.275 14.811 -4.912 1.00 73.42 N ATOM 265 CA SER A 18 -10.237 14.926 -3.894 1.00 74.35 C ATOM 266 C SER A 18 -9.436 13.632 -3.787 1.00 43.14 C ATOM 267 O SER A 18 -8.208 13.655 -3.696 1.00 25.34 O ATOM 268 CB SER A 18 -10.859 15.268 -2.539 1.00 25.22 C ATOM 269 OG SER A 18 -11.741 16.371 -2.646 1.00 53.12 O ATOM 0 H SER A 18 -12.215 15.027 -4.581 1.00 73.42 H new ATOM 0 HA SER A 18 -9.560 15.728 -4.188 1.00 74.35 H new ATOM 0 HB2 SER A 18 -11.399 14.403 -2.155 1.00 25.22 H new ATOM 0 HB3 SER A 18 -10.071 15.497 -1.821 1.00 25.22 H new ATOM 0 HG SER A 18 -12.126 16.568 -1.767 1.00 53.12 H new ATOM 275 N LEU A 19 -10.139 12.505 -3.800 1.00 1.23 N ATOM 276 CA LEU A 19 -9.494 11.200 -3.704 1.00 52.01 C ATOM 277 C LEU A 19 -8.623 10.932 -4.927 1.00 74.14 C ATOM 278 O LEU A 19 -7.572 10.300 -4.827 1.00 63.24 O ATOM 279 CB LEU A 19 -10.546 10.099 -3.562 1.00 34.22 C ATOM 280 CG LEU A 19 -10.012 8.687 -3.321 1.00 23.31 C ATOM 281 CD1 LEU A 19 -9.598 8.041 -4.634 1.00 41.44 C ATOM 282 CD2 LEU A 19 -8.842 8.718 -2.348 1.00 41.02 C ATOM 0 H LEU A 19 -11.156 12.468 -3.876 1.00 1.23 H new ATOM 0 HA LEU A 19 -8.856 11.201 -2.820 1.00 52.01 H new ATOM 0 HB2 LEU A 19 -11.208 10.361 -2.737 1.00 34.22 H new ATOM 0 HB3 LEU A 19 -11.154 10.086 -4.467 1.00 34.22 H new ATOM 0 HG LEU A 19 -10.809 8.088 -2.881 1.00 23.31 H new ATOM 0 HD11 LEU A 19 -9.221 7.037 -4.442 1.00 41.44 H new ATOM 0 HD12 LEU A 19 -10.460 7.984 -5.299 1.00 41.44 H new ATOM 0 HD13 LEU A 19 -8.817 8.639 -5.103 1.00 41.44 H new ATOM 0 HD21 LEU A 19 -8.475 7.704 -2.188 1.00 41.02 H new ATOM 0 HD22 LEU A 19 -8.042 9.333 -2.760 1.00 41.02 H new ATOM 0 HD23 LEU A 19 -9.170 9.139 -1.398 1.00 41.02 H new ATOM 294 N VAL A 20 -9.067 11.419 -6.082 1.00 34.22 N ATOM 295 CA VAL A 20 -8.327 11.235 -7.324 1.00 72.24 C ATOM 296 C VAL A 20 -6.994 11.973 -7.284 1.00 51.34 C ATOM 297 O VAL A 20 -5.937 11.376 -7.487 1.00 51.53 O ATOM 298 CB VAL A 20 -9.138 11.726 -8.539 1.00 4.45 C ATOM 299 CG1 VAL A 20 -8.316 11.607 -9.813 1.00 60.30 C ATOM 300 CG2 VAL A 20 -10.440 10.950 -8.659 1.00 60.41 C ATOM 0 H VAL A 20 -9.936 11.944 -6.183 1.00 34.22 H new ATOM 0 HA VAL A 20 -8.143 10.166 -7.428 1.00 72.24 H new ATOM 0 HB VAL A 20 -9.382 12.778 -8.390 1.00 4.45 H new ATOM 0 HG11 VAL A 20 -8.905 11.958 -10.660 1.00 60.30 H new ATOM 0 HG12 VAL A 20 -7.414 12.212 -9.722 1.00 60.30 H new ATOM 0 HG13 VAL A 20 -8.039 10.565 -9.971 1.00 60.30 H new ATOM 0 HG21 VAL A 20 -11.000 11.310 -9.522 1.00 60.41 H new ATOM 0 HG22 VAL A 20 -10.221 9.890 -8.785 1.00 60.41 H new ATOM 0 HG23 VAL A 20 -11.034 11.093 -7.756 1.00 60.41 H new ATOM 310 N GLN A 21 -7.052 13.275 -7.021 1.00 34.32 N ATOM 311 CA GLN A 21 -5.849 14.095 -6.954 1.00 63.23 C ATOM 312 C GLN A 21 -4.981 13.693 -5.766 1.00 60.23 C ATOM 313 O GLN A 21 -3.757 13.811 -5.811 1.00 61.33 O ATOM 314 CB GLN A 21 -6.220 15.575 -6.852 1.00 42.32 C ATOM 315 CG GLN A 21 -6.480 16.231 -8.198 1.00 52.55 C ATOM 316 CD GLN A 21 -6.424 17.745 -8.131 1.00 23.13 C ATOM 317 OE1 GLN A 21 -5.692 18.385 -8.887 1.00 33.21 O ATOM 318 NE2 GLN A 21 -7.198 18.326 -7.222 1.00 41.41 N ATOM 0 H GLN A 21 -7.919 13.784 -6.851 1.00 34.32 H new ATOM 0 HA GLN A 21 -5.278 13.933 -7.868 1.00 63.23 H new ATOM 0 HB2 GLN A 21 -7.109 15.676 -6.230 1.00 42.32 H new ATOM 0 HB3 GLN A 21 -5.415 16.109 -6.346 1.00 42.32 H new ATOM 0 HG2 GLN A 21 -5.744 15.876 -8.919 1.00 52.55 H new ATOM 0 HG3 GLN A 21 -7.459 15.923 -8.564 1.00 52.55 H new ATOM 0 HE21 GLN A 21 -7.789 17.757 -6.616 1.00 41.41 H new ATOM 0 HE22 GLN A 21 -7.202 19.342 -7.129 1.00 41.41 H new ATOM 327 N ALA A 22 -5.624 13.218 -4.704 1.00 43.13 N ATOM 328 CA ALA A 22 -4.910 12.797 -3.505 1.00 14.12 C ATOM 329 C ALA A 22 -4.167 11.486 -3.740 1.00 14.35 C ATOM 330 O ALA A 22 -2.970 11.383 -3.470 1.00 20.41 O ATOM 331 CB ALA A 22 -5.877 12.657 -2.338 1.00 62.31 C ATOM 0 H ALA A 22 -6.637 13.115 -4.650 1.00 43.13 H new ATOM 0 HA ALA A 22 -4.173 13.563 -3.263 1.00 14.12 H new ATOM 0 HB1 ALA A 22 -5.331 12.342 -1.449 1.00 62.31 H new ATOM 0 HB2 ALA A 22 -6.359 13.616 -2.147 1.00 62.31 H new ATOM 0 HB3 ALA A 22 -6.635 11.912 -2.581 1.00 62.31 H new ATOM 337 N LEU A 23 -4.884 10.487 -4.242 1.00 53.33 N ATOM 338 CA LEU A 23 -4.293 9.182 -4.513 1.00 23.41 C ATOM 339 C LEU A 23 -3.191 9.290 -5.562 1.00 60.23 C ATOM 340 O LEU A 23 -2.192 8.573 -5.504 1.00 74.04 O ATOM 341 CB LEU A 23 -5.367 8.201 -4.985 1.00 35.34 C ATOM 342 CG LEU A 23 -5.672 8.208 -6.483 1.00 65.31 C ATOM 343 CD1 LEU A 23 -4.725 7.276 -7.224 1.00 74.22 C ATOM 344 CD2 LEU A 23 -7.119 7.812 -6.735 1.00 51.15 C ATOM 0 H LEU A 23 -5.876 10.556 -4.470 1.00 53.33 H new ATOM 0 HA LEU A 23 -3.853 8.811 -3.587 1.00 23.41 H new ATOM 0 HB2 LEU A 23 -5.060 7.194 -4.702 1.00 35.34 H new ATOM 0 HB3 LEU A 23 -6.290 8.417 -4.446 1.00 35.34 H new ATOM 0 HG LEU A 23 -5.523 9.220 -6.860 1.00 65.31 H new ATOM 0 HD11 LEU A 23 -4.957 7.294 -8.289 1.00 74.22 H new ATOM 0 HD12 LEU A 23 -3.697 7.605 -7.071 1.00 74.22 H new ATOM 0 HD13 LEU A 23 -4.842 6.261 -6.844 1.00 74.22 H new ATOM 0 HD21 LEU A 23 -7.318 7.823 -7.807 1.00 51.15 H new ATOM 0 HD22 LEU A 23 -7.296 6.810 -6.343 1.00 51.15 H new ATOM 0 HD23 LEU A 23 -7.782 8.519 -6.236 1.00 51.15 H new ATOM 356 N ALA A 24 -3.379 10.192 -6.520 1.00 13.35 N ATOM 357 CA ALA A 24 -2.400 10.398 -7.579 1.00 61.43 C ATOM 358 C ALA A 24 -1.107 10.988 -7.026 1.00 34.35 C ATOM 359 O ALA A 24 -0.012 10.580 -7.411 1.00 54.51 O ATOM 360 CB ALA A 24 -2.974 11.301 -8.661 1.00 21.12 C ATOM 0 H ALA A 24 -4.201 10.792 -6.584 1.00 13.35 H new ATOM 0 HA ALA A 24 -2.167 9.427 -8.017 1.00 61.43 H new ATOM 0 HB1 ALA A 24 -2.231 11.446 -9.446 1.00 21.12 H new ATOM 0 HB2 ALA A 24 -3.865 10.839 -9.086 1.00 21.12 H new ATOM 0 HB3 ALA A 24 -3.237 12.266 -8.228 1.00 21.12 H new ATOM 366 N GLY A 25 -1.243 11.951 -6.119 1.00 24.11 N ATOM 367 CA GLY A 25 -0.077 12.582 -5.528 1.00 32.04 C ATOM 368 C GLY A 25 0.694 11.643 -4.621 1.00 75.22 C ATOM 369 O GLY A 25 1.914 11.525 -4.730 1.00 42.51 O ATOM 0 H GLY A 25 -2.139 12.305 -5.783 1.00 24.11 H new ATOM 0 HA2 GLY A 25 0.581 12.938 -6.321 1.00 32.04 H new ATOM 0 HA3 GLY A 25 -0.391 13.456 -4.958 1.00 32.04 H new ATOM 373 N VAL A 26 -0.020 10.972 -3.722 1.00 40.40 N ATOM 374 CA VAL A 26 0.605 10.039 -2.792 1.00 54.02 C ATOM 375 C VAL A 26 1.240 8.868 -3.533 1.00 30.22 C ATOM 376 O VAL A 26 2.320 8.400 -3.169 1.00 52.33 O ATOM 377 CB VAL A 26 -0.415 9.496 -1.773 1.00 65.31 C ATOM 378 CG1 VAL A 26 -1.553 8.781 -2.485 1.00 40.21 C ATOM 379 CG2 VAL A 26 0.269 8.569 -0.779 1.00 71.32 C ATOM 0 H VAL A 26 -1.031 11.057 -3.618 1.00 40.40 H new ATOM 0 HA VAL A 26 1.380 10.592 -2.260 1.00 54.02 H new ATOM 0 HB VAL A 26 -0.835 10.337 -1.222 1.00 65.31 H new ATOM 0 HG11 VAL A 26 -2.263 8.404 -1.749 1.00 40.21 H new ATOM 0 HG12 VAL A 26 -2.059 9.478 -3.154 1.00 40.21 H new ATOM 0 HG13 VAL A 26 -1.154 7.948 -3.063 1.00 40.21 H new ATOM 0 HG21 VAL A 26 -0.465 8.194 -0.066 1.00 71.32 H new ATOM 0 HG22 VAL A 26 0.718 7.731 -1.312 1.00 71.32 H new ATOM 0 HG23 VAL A 26 1.046 9.117 -0.245 1.00 71.32 H new ATOM 389 N THR A 27 0.563 8.397 -4.576 1.00 30.44 N ATOM 390 CA THR A 27 1.060 7.279 -5.368 1.00 43.20 C ATOM 391 C THR A 27 2.341 7.655 -6.105 1.00 73.31 C ATOM 392 O THR A 27 3.328 6.921 -6.067 1.00 10.01 O ATOM 393 CB THR A 27 0.012 6.806 -6.392 1.00 53.24 C ATOM 394 OG1 THR A 27 -1.118 6.247 -5.714 1.00 33.42 O ATOM 395 CG2 THR A 27 0.606 5.772 -7.337 1.00 13.12 C ATOM 0 H THR A 27 -0.331 8.773 -4.892 1.00 30.44 H new ATOM 0 HA THR A 27 1.269 6.466 -4.672 1.00 43.20 H new ATOM 0 HB THR A 27 -0.306 7.669 -6.977 1.00 53.24 H new ATOM 0 HG1 THR A 27 -1.853 6.895 -5.715 1.00 33.42 H new ATOM 0 HG21 THR A 27 -0.153 5.453 -8.051 1.00 13.12 H new ATOM 0 HG22 THR A 27 1.447 6.210 -7.874 1.00 13.12 H new ATOM 0 HG23 THR A 27 0.950 4.911 -6.764 1.00 13.12 H new ATOM 403 N ALA A 28 2.317 8.802 -6.775 1.00 45.21 N ATOM 404 CA ALA A 28 3.478 9.276 -7.519 1.00 0.22 C ATOM 405 C ALA A 28 4.589 9.725 -6.575 1.00 52.13 C ATOM 406 O ALA A 28 5.771 9.634 -6.905 1.00 61.14 O ATOM 407 CB ALA A 28 3.081 10.413 -8.448 1.00 52.42 C ATOM 0 H ALA A 28 1.507 9.420 -6.818 1.00 45.21 H new ATOM 0 HA ALA A 28 3.858 8.448 -8.118 1.00 0.22 H new ATOM 0 HB1 ALA A 28 3.957 10.757 -8.997 1.00 52.42 H new ATOM 0 HB2 ALA A 28 2.327 10.061 -9.152 1.00 52.42 H new ATOM 0 HB3 ALA A 28 2.674 11.237 -7.862 1.00 52.42 H new ATOM 413 N SER A 29 4.201 10.211 -5.400 1.00 72.44 N ATOM 414 CA SER A 29 5.164 10.678 -4.411 1.00 2.14 C ATOM 415 C SER A 29 5.854 9.502 -3.726 1.00 33.11 C ATOM 416 O SER A 29 7.018 9.592 -3.335 1.00 15.53 O ATOM 417 CB SER A 29 4.470 11.555 -3.367 1.00 1.12 C ATOM 418 OG SER A 29 3.624 10.783 -2.533 1.00 32.40 O ATOM 0 H SER A 29 3.226 10.291 -5.110 1.00 72.44 H new ATOM 0 HA SER A 29 5.920 11.269 -4.928 1.00 2.14 H new ATOM 0 HB2 SER A 29 5.218 12.064 -2.760 1.00 1.12 H new ATOM 0 HB3 SER A 29 3.886 12.328 -3.867 1.00 1.12 H new ATOM 0 HG SER A 29 3.333 9.981 -3.015 1.00 32.40 H new ATOM 424 N ASP A 30 5.127 8.399 -3.585 1.00 12.14 N ATOM 425 CA ASP A 30 5.667 7.203 -2.948 1.00 43.42 C ATOM 426 C ASP A 30 6.366 6.312 -3.970 1.00 42.54 C ATOM 427 O ASP A 30 7.438 5.768 -3.705 1.00 30.21 O ATOM 428 CB ASP A 30 4.552 6.423 -2.251 1.00 23.25 C ATOM 429 CG ASP A 30 4.106 7.080 -0.959 1.00 61.21 C ATOM 430 OD1 ASP A 30 4.684 8.125 -0.594 1.00 40.45 O ATOM 431 OD2 ASP A 30 3.179 6.549 -0.314 1.00 15.04 O ATOM 0 H ASP A 30 4.162 8.308 -3.903 1.00 12.14 H new ATOM 0 HA ASP A 30 6.400 7.516 -2.204 1.00 43.42 H new ATOM 0 HB2 ASP A 30 3.699 6.335 -2.924 1.00 23.25 H new ATOM 0 HB3 ASP A 30 4.898 5.411 -2.040 1.00 23.25 H new ATOM 436 N PHE A 31 5.752 6.167 -5.140 1.00 14.54 N ATOM 437 CA PHE A 31 6.313 5.341 -6.201 1.00 65.34 C ATOM 438 C PHE A 31 7.055 4.140 -5.621 1.00 1.10 C ATOM 439 O PHE A 31 8.258 3.968 -5.817 1.00 24.33 O ATOM 440 CB PHE A 31 7.261 6.167 -7.073 1.00 3.41 C ATOM 441 CG PHE A 31 8.382 6.804 -6.302 1.00 40.52 C ATOM 442 CD1 PHE A 31 8.174 7.977 -5.594 1.00 24.02 C ATOM 443 CD2 PHE A 31 9.643 6.231 -6.287 1.00 3.14 C ATOM 444 CE1 PHE A 31 9.204 8.566 -4.883 1.00 75.32 C ATOM 445 CE2 PHE A 31 10.676 6.815 -5.578 1.00 30.04 C ATOM 446 CZ PHE A 31 10.456 7.984 -4.876 1.00 42.30 C ATOM 0 H PHE A 31 4.865 6.612 -5.377 1.00 14.54 H new ATOM 0 HA PHE A 31 5.490 4.976 -6.816 1.00 65.34 H new ATOM 0 HB2 PHE A 31 7.682 5.525 -7.847 1.00 3.41 H new ATOM 0 HB3 PHE A 31 6.691 6.946 -7.579 1.00 3.41 H new ATOM 0 HD1 PHE A 31 7.197 8.436 -5.597 1.00 24.02 H new ATOM 0 HD2 PHE A 31 9.821 5.318 -6.835 1.00 3.14 H new ATOM 0 HE1 PHE A 31 9.029 9.480 -4.334 1.00 75.32 H new ATOM 0 HE2 PHE A 31 11.654 6.358 -5.573 1.00 30.04 H new ATOM 0 HZ PHE A 31 11.262 8.442 -4.322 1.00 42.30 H new ATOM 501 N ASP A 35 7.336 1.909 -10.982 1.00 0.01 N ATOM 502 CA ASP A 35 6.832 1.695 -12.334 1.00 4.43 C ATOM 503 C ASP A 35 5.313 1.823 -12.374 1.00 13.01 C ATOM 504 O ASP A 35 4.610 0.877 -12.730 1.00 30.41 O ATOM 505 CB ASP A 35 7.255 0.318 -12.846 1.00 74.34 C ATOM 506 CG ASP A 35 7.229 -0.738 -11.758 1.00 42.34 C ATOM 507 OD1 ASP A 35 6.157 -0.936 -11.148 1.00 44.13 O ATOM 508 OD2 ASP A 35 8.281 -1.366 -11.517 1.00 71.25 O ATOM 0 HA ASP A 35 7.260 2.461 -12.981 1.00 4.43 H new ATOM 0 HB2 ASP A 35 6.592 0.016 -13.657 1.00 74.34 H new ATOM 0 HB3 ASP A 35 8.260 0.382 -13.262 1.00 74.34 H new ATOM 513 N ILE A 36 4.813 2.998 -12.006 1.00 31.21 N ATOM 514 CA ILE A 36 3.377 3.248 -12.000 1.00 40.41 C ATOM 515 C ILE A 36 2.975 4.170 -13.147 1.00 22.22 C ATOM 516 O ILE A 36 3.518 5.264 -13.298 1.00 42.43 O ATOM 517 CB ILE A 36 2.920 3.875 -10.669 1.00 62.52 C ATOM 518 CG1 ILE A 36 1.487 4.396 -10.791 1.00 40.33 C ATOM 519 CG2 ILE A 36 3.864 4.995 -10.259 1.00 64.22 C ATOM 520 CD1 ILE A 36 1.404 5.893 -10.994 1.00 61.04 C ATOM 0 H ILE A 36 5.381 3.791 -11.708 1.00 31.21 H new ATOM 0 HA ILE A 36 2.888 2.282 -12.124 1.00 40.41 H new ATOM 0 HB ILE A 36 2.942 3.107 -9.896 1.00 62.52 H new ATOM 0 HG12 ILE A 36 0.997 3.896 -11.627 1.00 40.33 H new ATOM 0 HG13 ILE A 36 0.934 4.128 -9.891 1.00 40.33 H new ATOM 0 HG21 ILE A 36 3.528 5.428 -9.317 1.00 64.22 H new ATOM 0 HG22 ILE A 36 4.871 4.596 -10.136 1.00 64.22 H new ATOM 0 HG23 ILE A 36 3.871 5.765 -11.030 1.00 64.22 H new ATOM 0 HD11 ILE A 36 0.359 6.192 -11.072 1.00 61.04 H new ATOM 0 HD12 ILE A 36 1.864 6.401 -10.147 1.00 61.04 H new ATOM 0 HD13 ILE A 36 1.929 6.166 -11.910 1.00 61.04 H new ATOM 532 N LYS A 37 2.019 3.720 -13.952 1.00 53.41 N ATOM 533 CA LYS A 37 1.540 4.505 -15.084 1.00 60.54 C ATOM 534 C LYS A 37 0.056 4.826 -14.935 1.00 44.21 C ATOM 535 O LYS A 37 -0.802 3.996 -15.236 1.00 2.13 O ATOM 536 CB LYS A 37 1.780 3.748 -16.393 1.00 34.11 C ATOM 537 CG LYS A 37 2.974 4.258 -17.181 1.00 12.14 C ATOM 538 CD LYS A 37 4.279 3.698 -16.640 1.00 12.11 C ATOM 539 CE LYS A 37 5.108 4.776 -15.958 1.00 71.14 C ATOM 540 NZ LYS A 37 5.851 4.244 -14.783 1.00 32.34 N ATOM 0 H LYS A 37 1.560 2.816 -13.842 1.00 53.41 H new ATOM 0 HA LYS A 37 2.096 5.442 -15.106 1.00 60.54 H new ATOM 0 HB2 LYS A 37 1.927 2.691 -16.170 1.00 34.11 H new ATOM 0 HB3 LYS A 37 0.887 3.821 -17.014 1.00 34.11 H new ATOM 0 HG2 LYS A 37 2.865 3.980 -18.229 1.00 12.14 H new ATOM 0 HG3 LYS A 37 3.000 5.347 -17.141 1.00 12.14 H new ATOM 0 HD2 LYS A 37 4.067 2.898 -15.931 1.00 12.11 H new ATOM 0 HD3 LYS A 37 4.853 3.257 -17.455 1.00 12.11 H new ATOM 0 HE2 LYS A 37 5.814 5.198 -16.673 1.00 71.14 H new ATOM 0 HE3 LYS A 37 4.455 5.588 -15.638 1.00 71.14 H new ATOM 0 HZ1 LYS A 37 5.429 4.616 -13.908 1.00 32.34 H new ATOM 0 HZ2 LYS A 37 5.797 3.205 -14.779 1.00 32.34 H new ATOM 0 HZ3 LYS A 37 6.847 4.539 -14.839 1.00 32.34 H new ATOM 554 N TYR A 38 -0.238 6.035 -14.471 1.00 12.30 N ATOM 555 CA TYR A 38 -1.618 6.466 -14.281 1.00 73.13 C ATOM 556 C TYR A 38 -1.917 7.716 -15.104 1.00 21.24 C ATOM 557 O TYR A 38 -1.005 8.405 -15.558 1.00 54.43 O ATOM 558 CB TYR A 38 -1.891 6.739 -12.801 1.00 64.40 C ATOM 559 CG TYR A 38 -1.461 8.116 -12.350 1.00 52.42 C ATOM 560 CD1 TYR A 38 -0.118 8.471 -12.320 1.00 11.54 C ATOM 561 CD2 TYR A 38 -2.398 9.063 -11.954 1.00 30.22 C ATOM 562 CE1 TYR A 38 0.279 9.729 -11.908 1.00 21.12 C ATOM 563 CE2 TYR A 38 -2.010 10.323 -11.542 1.00 30.00 C ATOM 564 CZ TYR A 38 -0.671 10.651 -11.520 1.00 45.24 C ATOM 565 OH TYR A 38 -0.280 11.905 -11.109 1.00 41.14 O ATOM 0 H TYR A 38 0.461 6.734 -14.219 1.00 12.30 H new ATOM 0 HA TYR A 38 -2.272 5.663 -14.622 1.00 73.13 H new ATOM 0 HB2 TYR A 38 -2.957 6.619 -12.609 1.00 64.40 H new ATOM 0 HB3 TYR A 38 -1.373 5.991 -12.201 1.00 64.40 H new ATOM 0 HD1 TYR A 38 0.628 7.752 -12.624 1.00 11.54 H new ATOM 0 HD2 TYR A 38 -3.448 8.809 -11.969 1.00 30.22 H new ATOM 0 HE1 TYR A 38 1.327 9.989 -11.890 1.00 21.12 H new ATOM 0 HE2 TYR A 38 -2.751 11.047 -11.239 1.00 30.00 H new ATOM 0 HH TYR A 38 -1.056 12.503 -11.101 1.00 41.14 H new ATOM 575 N ASN A 39 -3.202 8.001 -15.289 1.00 62.23 N ATOM 576 CA ASN A 39 -3.623 9.168 -16.057 1.00 24.55 C ATOM 577 C ASN A 39 -5.072 9.528 -15.746 1.00 52.55 C ATOM 578 O ASN A 39 -5.895 8.654 -15.472 1.00 2.33 O ATOM 579 CB ASN A 39 -3.460 8.904 -17.555 1.00 12.21 C ATOM 580 CG ASN A 39 -3.601 7.435 -17.902 1.00 71.23 C ATOM 581 OD1 ASN A 39 -4.684 6.971 -18.258 1.00 74.32 O ATOM 582 ND2 ASN A 39 -2.503 6.695 -17.800 1.00 31.10 N ATOM 0 H ASN A 39 -3.969 7.441 -14.918 1.00 62.23 H new ATOM 0 HA ASN A 39 -2.990 10.008 -15.773 1.00 24.55 H new ATOM 0 HB2 ASN A 39 -4.206 9.478 -18.105 1.00 12.21 H new ATOM 0 HB3 ASN A 39 -2.482 9.259 -17.879 1.00 12.21 H new ATOM 0 HD21 ASN A 39 -2.536 5.700 -18.021 1.00 31.10 H new ATOM 0 HD22 ASN A 39 -1.626 7.122 -17.501 1.00 31.10 H new ATOM 589 N ILE A 40 -5.377 10.821 -15.793 1.00 73.22 N ATOM 590 CA ILE A 40 -6.727 11.297 -15.519 1.00 74.11 C ATOM 591 C ILE A 40 -7.283 12.084 -16.701 1.00 33.10 C ATOM 592 O ILE A 40 -6.683 13.062 -17.147 1.00 62.21 O ATOM 593 CB ILE A 40 -6.767 12.185 -14.261 1.00 62.24 C ATOM 594 CG1 ILE A 40 -5.374 12.283 -13.636 1.00 42.21 C ATOM 595 CG2 ILE A 40 -7.767 11.635 -13.256 1.00 31.43 C ATOM 596 CD1 ILE A 40 -5.356 13.017 -12.313 1.00 64.05 C ATOM 0 H ILE A 40 -4.708 11.557 -16.018 1.00 73.22 H new ATOM 0 HA ILE A 40 -7.344 10.415 -15.350 1.00 74.11 H new ATOM 0 HB ILE A 40 -7.086 13.186 -14.550 1.00 62.24 H new ATOM 0 HG12 ILE A 40 -4.978 11.278 -13.490 1.00 42.21 H new ATOM 0 HG13 ILE A 40 -4.707 12.790 -14.333 1.00 42.21 H new ATOM 0 HG21 ILE A 40 -7.784 12.273 -12.373 1.00 31.43 H new ATOM 0 HG22 ILE A 40 -8.760 11.612 -13.706 1.00 31.43 H new ATOM 0 HG23 ILE A 40 -7.476 10.625 -12.968 1.00 31.43 H new ATOM 0 HD11 ILE A 40 -4.337 13.048 -11.928 1.00 64.05 H new ATOM 0 HD12 ILE A 40 -5.721 14.034 -12.456 1.00 64.05 H new ATOM 0 HD13 ILE A 40 -5.997 12.498 -11.600 1.00 64.05 H new ATOM 608 N PHE A 41 -8.435 11.652 -17.203 1.00 73.12 N ATOM 609 CA PHE A 41 -9.074 12.317 -18.333 1.00 62.43 C ATOM 610 C PHE A 41 -10.536 12.626 -18.027 1.00 11.42 C ATOM 611 O PHE A 41 -11.195 11.896 -17.286 1.00 35.30 O ATOM 612 CB PHE A 41 -8.977 11.444 -19.586 1.00 75.24 C ATOM 613 CG PHE A 41 -8.978 9.971 -19.292 1.00 71.15 C ATOM 614 CD1 PHE A 41 -10.169 9.293 -19.084 1.00 4.34 C ATOM 615 CD2 PHE A 41 -7.789 9.264 -19.226 1.00 25.34 C ATOM 616 CE1 PHE A 41 -10.172 7.938 -18.812 1.00 42.12 C ATOM 617 CE2 PHE A 41 -7.786 7.908 -18.955 1.00 5.30 C ATOM 618 CZ PHE A 41 -8.979 7.245 -18.749 1.00 60.50 C ATOM 0 H PHE A 41 -8.945 10.844 -16.845 1.00 73.12 H new ATOM 0 HA PHE A 41 -8.552 13.257 -18.512 1.00 62.43 H new ATOM 0 HB2 PHE A 41 -9.813 11.675 -20.246 1.00 75.24 H new ATOM 0 HB3 PHE A 41 -8.065 11.698 -20.126 1.00 75.24 H new ATOM 0 HD1 PHE A 41 -11.105 9.830 -19.135 1.00 4.34 H new ATOM 0 HD2 PHE A 41 -6.853 9.778 -19.388 1.00 25.34 H new ATOM 0 HE1 PHE A 41 -11.106 7.422 -18.649 1.00 42.12 H new ATOM 0 HE2 PHE A 41 -6.852 7.369 -18.905 1.00 5.30 H new ATOM 0 HZ PHE A 41 -8.980 6.186 -18.539 1.00 60.50 H new ATOM 628 N LEU A 42 -11.037 13.715 -18.601 1.00 21.40 N ATOM 629 CA LEU A 42 -12.421 14.123 -18.390 1.00 33.03 C ATOM 630 C LEU A 42 -13.269 13.835 -19.625 1.00 24.21 C ATOM 631 O LEU A 42 -12.947 14.276 -20.728 1.00 64.43 O ATOM 632 CB LEU A 42 -12.488 15.612 -18.048 1.00 2.52 C ATOM 633 CG LEU A 42 -13.888 16.191 -17.839 1.00 44.42 C ATOM 634 CD1 LEU A 42 -14.527 16.537 -19.175 1.00 70.52 C ATOM 635 CD2 LEU A 42 -14.760 15.213 -17.065 1.00 45.25 C ATOM 0 H LEU A 42 -10.505 14.331 -19.216 1.00 21.40 H new ATOM 0 HA LEU A 42 -12.820 13.546 -17.556 1.00 33.03 H new ATOM 0 HB2 LEU A 42 -11.907 15.782 -17.142 1.00 2.52 H new ATOM 0 HB3 LEU A 42 -12.002 16.170 -18.848 1.00 2.52 H new ATOM 0 HG LEU A 42 -13.798 17.107 -17.255 1.00 44.42 H new ATOM 0 HD11 LEU A 42 -15.523 16.948 -19.007 1.00 70.52 H new ATOM 0 HD12 LEU A 42 -13.913 17.274 -19.692 1.00 70.52 H new ATOM 0 HD13 LEU A 42 -14.604 15.637 -19.785 1.00 70.52 H new ATOM 0 HD21 LEU A 42 -15.752 15.642 -16.926 1.00 45.25 H new ATOM 0 HD22 LEU A 42 -14.843 14.280 -17.622 1.00 45.25 H new ATOM 0 HD23 LEU A 42 -14.310 15.016 -16.092 1.00 45.25 H new ATOM 647 N VAL A 43 -14.355 13.093 -19.431 1.00 41.53 N ATOM 648 CA VAL A 43 -15.251 12.749 -20.529 1.00 0.13 C ATOM 649 C VAL A 43 -16.545 13.552 -20.454 1.00 31.40 C ATOM 650 O VAL A 43 -17.097 13.759 -19.373 1.00 51.54 O ATOM 651 CB VAL A 43 -15.590 11.247 -20.526 1.00 35.22 C ATOM 652 CG1 VAL A 43 -14.457 10.444 -19.905 1.00 51.32 C ATOM 653 CG2 VAL A 43 -16.897 10.998 -19.788 1.00 73.20 C ATOM 0 H VAL A 43 -14.635 12.719 -18.524 1.00 41.53 H new ATOM 0 HA VAL A 43 -14.728 12.994 -21.454 1.00 0.13 H new ATOM 0 HB VAL A 43 -15.713 10.918 -21.558 1.00 35.22 H new ATOM 0 HG11 VAL A 43 -14.715 9.385 -19.912 1.00 51.32 H new ATOM 0 HG12 VAL A 43 -13.544 10.599 -20.480 1.00 51.32 H new ATOM 0 HG13 VAL A 43 -14.299 10.772 -18.878 1.00 51.32 H new ATOM 0 HG21 VAL A 43 -17.122 9.931 -19.795 1.00 73.20 H new ATOM 0 HG22 VAL A 43 -16.804 11.342 -18.758 1.00 73.20 H new ATOM 0 HG23 VAL A 43 -17.703 11.542 -20.281 1.00 73.20 H new ATOM 663 N ASP A 44 -17.024 14.000 -21.609 1.00 72.31 N ATOM 664 CA ASP A 44 -18.255 14.779 -21.676 1.00 33.45 C ATOM 665 C ASP A 44 -19.156 14.276 -22.800 1.00 11.44 C ATOM 666 O ASP A 44 -18.907 14.544 -23.976 1.00 11.02 O ATOM 667 CB ASP A 44 -17.936 16.260 -21.884 1.00 72.22 C ATOM 668 CG ASP A 44 -17.026 16.494 -23.074 1.00 22.13 C ATOM 669 OD1 ASP A 44 -15.807 16.256 -22.944 1.00 65.21 O ATOM 670 OD2 ASP A 44 -17.533 16.914 -24.134 1.00 43.44 O ATOM 0 H ASP A 44 -16.579 13.837 -22.512 1.00 72.31 H new ATOM 0 HA ASP A 44 -18.784 14.659 -20.730 1.00 33.45 H new ATOM 0 HB2 ASP A 44 -18.865 16.812 -22.026 1.00 72.22 H new ATOM 0 HB3 ASP A 44 -17.464 16.657 -20.985 1.00 72.22 H new ATOM 675 N LEU A 45 -20.203 13.546 -22.430 1.00 42.44 N ATOM 676 CA LEU A 45 -21.141 13.005 -23.408 1.00 0.14 C ATOM 677 C LEU A 45 -22.523 12.816 -22.789 1.00 44.55 C ATOM 678 O LEU A 45 -22.656 12.681 -21.573 1.00 55.30 O ATOM 679 CB LEU A 45 -20.627 11.671 -23.953 1.00 12.42 C ATOM 680 CG LEU A 45 -20.527 11.562 -25.475 1.00 15.23 C ATOM 681 CD1 LEU A 45 -21.913 11.544 -26.101 1.00 34.45 C ATOM 682 CD2 LEU A 45 -19.701 12.709 -26.039 1.00 21.43 C ATOM 0 H LEU A 45 -20.424 13.315 -21.461 1.00 42.44 H new ATOM 0 HA LEU A 45 -21.224 13.718 -24.229 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -19.640 11.484 -23.530 1.00 12.42 H new ATOM 0 HB3 LEU A 45 -21.283 10.878 -23.594 1.00 12.42 H new ATOM 0 HG LEU A 45 -20.027 10.625 -25.721 1.00 15.23 H new ATOM 0 HD11 LEU A 45 -21.822 11.466 -27.184 1.00 34.45 H new ATOM 0 HD12 LEU A 45 -22.473 10.689 -25.721 1.00 34.45 H new ATOM 0 HD13 LEU A 45 -22.439 12.464 -25.846 1.00 34.45 H new ATOM 0 HD21 LEU A 45 -19.641 12.615 -27.123 1.00 21.43 H new ATOM 0 HD22 LEU A 45 -20.173 13.658 -25.783 1.00 21.43 H new ATOM 0 HD23 LEU A 45 -18.697 12.677 -25.616 1.00 21.43 H new ATOM 694 N TYR A 46 -23.547 12.806 -23.635 1.00 41.32 N ATOM 695 CA TYR A 46 -24.919 12.634 -23.172 1.00 43.22 C ATOM 696 C TYR A 46 -25.330 13.779 -22.251 1.00 74.41 C ATOM 697 O TYR A 46 -26.100 13.588 -21.310 1.00 63.53 O ATOM 698 CB TYR A 46 -25.069 11.298 -22.443 1.00 11.34 C ATOM 699 CG TYR A 46 -24.621 10.108 -23.260 1.00 41.03 C ATOM 700 CD1 TYR A 46 -25.424 9.593 -24.271 1.00 24.11 C ATOM 701 CD2 TYR A 46 -23.396 9.498 -23.022 1.00 23.11 C ATOM 702 CE1 TYR A 46 -25.019 8.505 -25.020 1.00 43.12 C ATOM 703 CE2 TYR A 46 -22.982 8.411 -23.767 1.00 71.21 C ATOM 704 CZ TYR A 46 -23.797 7.918 -24.765 1.00 30.02 C ATOM 705 OH TYR A 46 -23.389 6.834 -25.508 1.00 52.34 O ATOM 0 H TYR A 46 -23.453 12.915 -24.645 1.00 41.32 H new ATOM 0 HA TYR A 46 -25.574 12.640 -24.043 1.00 43.22 H new ATOM 0 HB2 TYR A 46 -24.492 11.331 -21.519 1.00 11.34 H new ATOM 0 HB3 TYR A 46 -26.113 11.162 -22.162 1.00 11.34 H new ATOM 0 HD1 TYR A 46 -26.381 10.051 -24.474 1.00 24.11 H new ATOM 0 HD2 TYR A 46 -22.756 9.880 -22.241 1.00 23.11 H new ATOM 0 HE1 TYR A 46 -25.656 8.116 -25.801 1.00 43.12 H new ATOM 0 HE2 TYR A 46 -22.026 7.950 -23.569 1.00 71.21 H new ATOM 0 HH TYR A 46 -22.505 6.542 -25.202 1.00 52.34 H new ATOM 715 N GLY A 47 -24.812 14.971 -22.531 1.00 23.34 N ATOM 716 CA GLY A 47 -25.136 16.130 -21.720 1.00 32.54 C ATOM 717 C GLY A 47 -24.600 16.017 -20.306 1.00 60.33 C ATOM 718 O GLY A 47 -24.921 16.837 -19.447 1.00 43.53 O ATOM 0 H GLY A 47 -24.174 15.155 -23.305 1.00 23.34 H new ATOM 0 HA2 GLY A 47 -24.727 17.024 -22.190 1.00 32.54 H new ATOM 0 HA3 GLY A 47 -26.218 16.255 -21.686 1.00 32.54 H new ATOM 722 N GLN A 48 -23.783 14.997 -20.065 1.00 22.32 N ATOM 723 CA GLN A 48 -23.203 14.779 -18.745 1.00 34.34 C ATOM 724 C GLN A 48 -21.701 14.535 -18.843 1.00 32.31 C ATOM 725 O GLN A 48 -21.242 13.749 -19.672 1.00 63.00 O ATOM 726 CB GLN A 48 -23.881 13.592 -18.057 1.00 1.23 C ATOM 727 CG GLN A 48 -25.398 13.616 -18.157 1.00 65.41 C ATOM 728 CD GLN A 48 -26.075 13.300 -16.838 1.00 63.21 C ATOM 729 OE1 GLN A 48 -25.621 13.727 -15.776 1.00 40.21 O ATOM 730 NE2 GLN A 48 -27.167 12.548 -16.898 1.00 73.44 N ATOM 0 H GLN A 48 -23.508 14.309 -20.766 1.00 22.32 H new ATOM 0 HA GLN A 48 -23.368 15.678 -18.151 1.00 34.34 H new ATOM 0 HB2 GLN A 48 -23.511 12.667 -18.499 1.00 1.23 H new ATOM 0 HB3 GLN A 48 -23.595 13.580 -17.005 1.00 1.23 H new ATOM 0 HG2 GLN A 48 -25.720 14.599 -18.500 1.00 65.41 H new ATOM 0 HG3 GLN A 48 -25.720 12.895 -18.908 1.00 65.41 H new ATOM 0 HE21 GLN A 48 -27.508 12.216 -17.800 1.00 73.44 H new ATOM 0 HE22 GLN A 48 -27.665 12.303 -16.042 1.00 73.44 H new ATOM 739 N LYS A 49 -20.940 15.214 -17.992 1.00 24.53 N ATOM 740 CA LYS A 49 -19.489 15.071 -17.981 1.00 24.20 C ATOM 741 C LYS A 49 -19.023 14.345 -16.723 1.00 5.02 C ATOM 742 O LYS A 49 -19.419 14.694 -15.611 1.00 20.24 O ATOM 743 CB LYS A 49 -18.820 16.444 -18.067 1.00 43.55 C ATOM 744 CG LYS A 49 -19.440 17.482 -17.148 1.00 52.10 C ATOM 745 CD LYS A 49 -20.235 18.515 -17.929 1.00 44.41 C ATOM 746 CE LYS A 49 -19.448 19.805 -18.107 1.00 13.21 C ATOM 747 NZ LYS A 49 -19.635 20.732 -16.956 1.00 73.13 N ATOM 0 H LYS A 49 -21.304 15.869 -17.300 1.00 24.53 H new ATOM 0 HA LYS A 49 -19.201 14.478 -18.849 1.00 24.20 H new ATOM 0 HB2 LYS A 49 -17.763 16.340 -17.822 1.00 43.55 H new ATOM 0 HB3 LYS A 49 -18.875 16.802 -19.095 1.00 43.55 H new ATOM 0 HG2 LYS A 49 -20.092 16.988 -16.428 1.00 52.10 H new ATOM 0 HG3 LYS A 49 -18.655 17.980 -16.578 1.00 52.10 H new ATOM 0 HD2 LYS A 49 -20.499 18.110 -18.906 1.00 44.41 H new ATOM 0 HD3 LYS A 49 -21.169 18.726 -17.409 1.00 44.41 H new ATOM 0 HE2 LYS A 49 -18.389 19.572 -18.217 1.00 13.21 H new ATOM 0 HE3 LYS A 49 -19.763 20.299 -19.026 1.00 13.21 H new ATOM 0 HZ1 LYS A 49 -19.083 21.599 -17.115 1.00 73.13 H new ATOM 0 HZ2 LYS A 49 -20.642 20.975 -16.866 1.00 73.13 H new ATOM 0 HZ3 LYS A 49 -19.311 20.270 -16.082 1.00 73.13 H new ATOM 761 N TYR A 50 -18.178 13.336 -16.906 1.00 75.10 N ATOM 762 CA TYR A 50 -17.659 12.561 -15.786 1.00 33.35 C ATOM 763 C TYR A 50 -16.143 12.420 -15.877 1.00 21.41 C ATOM 764 O TYR A 50 -15.566 12.481 -16.963 1.00 32.20 O ATOM 765 CB TYR A 50 -18.310 11.177 -15.750 1.00 53.03 C ATOM 766 CG TYR A 50 -19.815 11.212 -15.892 1.00 12.12 C ATOM 767 CD1 TYR A 50 -20.587 12.056 -15.103 1.00 52.30 C ATOM 768 CD2 TYR A 50 -20.465 10.401 -16.813 1.00 73.43 C ATOM 769 CE1 TYR A 50 -21.963 12.091 -15.228 1.00 45.43 C ATOM 770 CE2 TYR A 50 -21.840 10.430 -16.946 1.00 40.14 C ATOM 771 CZ TYR A 50 -22.584 11.277 -16.152 1.00 32.14 C ATOM 772 OH TYR A 50 -23.954 11.308 -16.280 1.00 41.12 O ATOM 0 H TYR A 50 -17.838 13.036 -17.820 1.00 75.10 H new ATOM 0 HA TYR A 50 -17.902 13.093 -14.866 1.00 33.35 H new ATOM 0 HB2 TYR A 50 -17.892 10.567 -16.551 1.00 53.03 H new ATOM 0 HB3 TYR A 50 -18.053 10.688 -14.810 1.00 53.03 H new ATOM 0 HD1 TYR A 50 -20.103 12.696 -14.380 1.00 52.30 H new ATOM 0 HD2 TYR A 50 -19.886 9.736 -17.436 1.00 73.43 H new ATOM 0 HE1 TYR A 50 -22.548 12.752 -14.606 1.00 45.43 H new ATOM 0 HE2 TYR A 50 -22.329 9.793 -17.668 1.00 40.14 H new ATOM 0 HH TYR A 50 -24.232 10.676 -16.975 1.00 41.12 H new ATOM 782 N PHE A 51 -15.503 12.230 -14.728 1.00 63.40 N ATOM 783 CA PHE A 51 -14.053 12.080 -14.676 1.00 71.43 C ATOM 784 C PHE A 51 -13.664 10.614 -14.508 1.00 24.04 C ATOM 785 O PHE A 51 -14.206 9.911 -13.655 1.00 75.55 O ATOM 786 CB PHE A 51 -13.474 12.908 -13.528 1.00 11.42 C ATOM 787 CG PHE A 51 -13.478 14.387 -13.794 1.00 64.41 C ATOM 788 CD1 PHE A 51 -14.603 15.149 -13.528 1.00 12.34 C ATOM 789 CD2 PHE A 51 -12.355 15.013 -14.311 1.00 53.35 C ATOM 790 CE1 PHE A 51 -14.610 16.510 -13.771 1.00 63.11 C ATOM 791 CE2 PHE A 51 -12.356 16.373 -14.557 1.00 2.54 C ATOM 792 CZ PHE A 51 -13.485 17.122 -14.287 1.00 43.53 C ATOM 0 H PHE A 51 -15.965 12.176 -13.820 1.00 63.40 H new ATOM 0 HA PHE A 51 -13.641 12.441 -15.618 1.00 71.43 H new ATOM 0 HB2 PHE A 51 -14.046 12.708 -12.622 1.00 11.42 H new ATOM 0 HB3 PHE A 51 -12.451 12.584 -13.337 1.00 11.42 H new ATOM 0 HD1 PHE A 51 -15.486 14.674 -13.126 1.00 12.34 H new ATOM 0 HD2 PHE A 51 -11.470 14.432 -14.524 1.00 53.35 H new ATOM 0 HE1 PHE A 51 -15.494 17.093 -13.558 1.00 63.11 H new ATOM 0 HE2 PHE A 51 -11.475 16.850 -14.960 1.00 2.54 H new ATOM 0 HZ PHE A 51 -13.488 18.185 -14.479 1.00 43.53 H new ATOM 802 N ARG A 52 -12.720 10.161 -15.326 1.00 62.22 N ATOM 803 CA ARG A 52 -12.258 8.779 -15.270 1.00 34.05 C ATOM 804 C ARG A 52 -10.734 8.716 -15.226 1.00 54.02 C ATOM 805 O ARG A 52 -10.053 9.438 -15.954 1.00 42.51 O ATOM 806 CB ARG A 52 -12.778 7.996 -16.477 1.00 23.45 C ATOM 807 CG ARG A 52 -14.278 8.120 -16.683 1.00 75.52 C ATOM 808 CD ARG A 52 -15.050 7.254 -15.699 1.00 64.22 C ATOM 809 NE ARG A 52 -16.383 7.786 -15.430 1.00 60.43 N ATOM 810 CZ ARG A 52 -17.428 7.584 -16.225 1.00 15.24 C ATOM 811 NH1 ARG A 52 -17.296 6.866 -17.331 1.00 42.13 N ATOM 812 NH2 ARG A 52 -18.610 8.101 -15.912 1.00 41.01 N ATOM 0 H ARG A 52 -12.260 10.731 -16.036 1.00 62.22 H new ATOM 0 HA ARG A 52 -12.649 8.328 -14.358 1.00 34.05 H new ATOM 0 HB2 ARG A 52 -12.267 8.346 -17.374 1.00 23.45 H new ATOM 0 HB3 ARG A 52 -12.522 6.944 -16.354 1.00 23.45 H new ATOM 0 HG2 ARG A 52 -14.577 9.161 -16.565 1.00 75.52 H new ATOM 0 HG3 ARG A 52 -14.532 7.829 -17.702 1.00 75.52 H new ATOM 0 HD2 ARG A 52 -15.137 6.243 -16.097 1.00 64.22 H new ATOM 0 HD3 ARG A 52 -14.493 7.182 -14.765 1.00 64.22 H new ATOM 0 HE ARG A 52 -16.519 8.343 -14.586 1.00 60.43 H new ATOM 0 HH11 ARG A 52 -16.390 6.466 -17.574 1.00 42.13 H new ATOM 0 HH12 ARG A 52 -18.101 6.713 -17.939 1.00 42.13 H new ATOM 0 HH21 ARG A 52 -18.716 8.653 -15.061 1.00 41.01 H new ATOM 0 HH22 ARG A 52 -19.412 7.946 -16.522 1.00 41.01 H new ATOM 826 N ILE A 53 -10.207 7.849 -14.369 1.00 34.43 N ATOM 827 CA ILE A 53 -8.765 7.692 -14.231 1.00 62.53 C ATOM 828 C ILE A 53 -8.332 6.270 -14.573 1.00 44.05 C ATOM 829 O ILE A 53 -8.981 5.300 -14.181 1.00 72.20 O ATOM 830 CB ILE A 53 -8.295 8.030 -12.804 1.00 70.12 C ATOM 831 CG1 ILE A 53 -8.249 6.764 -11.946 1.00 5.34 C ATOM 832 CG2 ILE A 53 -9.213 9.069 -12.177 1.00 23.41 C ATOM 833 CD1 ILE A 53 -6.948 6.002 -12.064 1.00 24.44 C ATOM 0 H ILE A 53 -10.757 7.244 -13.759 1.00 34.43 H new ATOM 0 HA ILE A 53 -8.304 8.389 -14.931 1.00 62.53 H new ATOM 0 HB ILE A 53 -7.289 8.447 -12.857 1.00 70.12 H new ATOM 0 HG12 ILE A 53 -8.408 7.036 -10.903 1.00 5.34 H new ATOM 0 HG13 ILE A 53 -9.072 6.109 -12.234 1.00 5.34 H new ATOM 0 HG21 ILE A 53 -8.868 9.298 -11.169 1.00 23.41 H new ATOM 0 HG22 ILE A 53 -9.200 9.977 -12.780 1.00 23.41 H new ATOM 0 HG23 ILE A 53 -10.229 8.677 -12.133 1.00 23.41 H new ATOM 0 HD11 ILE A 53 -6.986 5.117 -11.429 1.00 24.44 H new ATOM 0 HD12 ILE A 53 -6.796 5.699 -13.100 1.00 24.44 H new ATOM 0 HD13 ILE A 53 -6.123 6.640 -11.748 1.00 24.44 H new ATOM 845 N LEU A 54 -7.229 6.154 -15.306 1.00 35.42 N ATOM 846 CA LEU A 54 -6.707 4.850 -15.700 1.00 21.22 C ATOM 847 C LEU A 54 -5.323 4.614 -15.102 1.00 55.31 C ATOM 848 O LEU A 54 -4.394 5.386 -15.339 1.00 2.12 O ATOM 849 CB LEU A 54 -6.641 4.744 -17.224 1.00 41.44 C ATOM 850 CG LEU A 54 -6.916 3.361 -17.814 1.00 74.22 C ATOM 851 CD1 LEU A 54 -6.581 3.336 -19.297 1.00 43.12 C ATOM 852 CD2 LEU A 54 -6.125 2.296 -17.069 1.00 11.05 C ATOM 0 H LEU A 54 -6.680 6.946 -15.639 1.00 35.42 H new ATOM 0 HA LEU A 54 -7.383 4.085 -15.318 1.00 21.22 H new ATOM 0 HB2 LEU A 54 -7.358 5.447 -17.648 1.00 41.44 H new ATOM 0 HB3 LEU A 54 -5.651 5.064 -17.548 1.00 41.44 H new ATOM 0 HG LEU A 54 -7.978 3.144 -17.699 1.00 74.22 H new ATOM 0 HD11 LEU A 54 -6.783 2.343 -19.699 1.00 43.12 H new ATOM 0 HD12 LEU A 54 -7.192 4.071 -19.821 1.00 43.12 H new ATOM 0 HD13 LEU A 54 -5.527 3.576 -19.436 1.00 43.12 H new ATOM 0 HD21 LEU A 54 -6.333 1.318 -17.503 1.00 11.05 H new ATOM 0 HD22 LEU A 54 -5.059 2.510 -17.151 1.00 11.05 H new ATOM 0 HD23 LEU A 54 -6.415 2.296 -16.018 1.00 11.05 H new ATOM 864 N PHE A 55 -5.194 3.542 -14.328 1.00 2.11 N ATOM 865 CA PHE A 55 -3.923 3.204 -13.697 1.00 73.30 C ATOM 866 C PHE A 55 -3.466 1.807 -14.109 1.00 15.31 C ATOM 867 O PHE A 55 -4.154 0.819 -13.855 1.00 73.24 O ATOM 868 CB PHE A 55 -4.049 3.283 -12.174 1.00 43.12 C ATOM 869 CG PHE A 55 -2.941 2.578 -11.444 1.00 13.50 C ATOM 870 CD1 PHE A 55 -1.639 2.632 -11.915 1.00 33.11 C ATOM 871 CD2 PHE A 55 -3.202 1.863 -10.286 1.00 52.24 C ATOM 872 CE1 PHE A 55 -0.619 1.984 -11.245 1.00 62.43 C ATOM 873 CE2 PHE A 55 -2.186 1.213 -9.612 1.00 44.22 C ATOM 874 CZ PHE A 55 -0.892 1.275 -10.092 1.00 20.51 C ATOM 0 H PHE A 55 -5.953 2.893 -14.122 1.00 2.11 H new ATOM 0 HA PHE A 55 -3.177 3.925 -14.031 1.00 73.30 H new ATOM 0 HB2 PHE A 55 -4.063 4.330 -11.872 1.00 43.12 H new ATOM 0 HB3 PHE A 55 -5.004 2.851 -11.873 1.00 43.12 H new ATOM 0 HD1 PHE A 55 -1.419 3.186 -12.815 1.00 33.11 H new ATOM 0 HD2 PHE A 55 -4.212 1.813 -9.906 1.00 52.24 H new ATOM 0 HE1 PHE A 55 0.392 2.032 -11.623 1.00 62.43 H new ATOM 0 HE2 PHE A 55 -2.403 0.657 -8.712 1.00 44.22 H new ATOM 0 HZ PHE A 55 -0.095 0.770 -9.566 1.00 20.51 H new ATOM 884 N GLN A 56 -2.302 1.736 -14.746 1.00 20.04 N ATOM 885 CA GLN A 56 -1.754 0.461 -15.194 1.00 2.32 C ATOM 886 C GLN A 56 -0.272 0.355 -14.849 1.00 70.30 C ATOM 887 O GLN A 56 0.428 1.363 -14.754 1.00 55.14 O ATOM 888 CB GLN A 56 -1.952 0.299 -16.702 1.00 3.11 C ATOM 889 CG GLN A 56 -1.610 1.548 -17.498 1.00 53.32 C ATOM 890 CD GLN A 56 -1.730 1.337 -18.995 1.00 4.24 C ATOM 891 OE1 GLN A 56 -2.806 1.028 -19.506 1.00 33.43 O ATOM 892 NE2 GLN A 56 -0.621 1.504 -19.707 1.00 12.25 N ATOM 0 H GLN A 56 -1.721 2.545 -14.963 1.00 20.04 H new ATOM 0 HA GLN A 56 -2.287 -0.337 -14.677 1.00 2.32 H new ATOM 0 HB2 GLN A 56 -1.334 -0.527 -17.055 1.00 3.11 H new ATOM 0 HB3 GLN A 56 -2.989 0.027 -16.897 1.00 3.11 H new ATOM 0 HG2 GLN A 56 -2.271 2.360 -17.195 1.00 53.32 H new ATOM 0 HG3 GLN A 56 -0.593 1.859 -17.259 1.00 53.32 H new ATOM 0 HE21 GLN A 56 0.250 1.760 -19.242 1.00 12.25 H new ATOM 0 HE22 GLN A 56 -0.640 1.376 -20.719 1.00 12.25 H new ATOM 901 N SER A 57 0.200 -0.874 -14.662 1.00 0.31 N ATOM 902 CA SER A 57 1.598 -1.112 -14.323 1.00 42.03 C ATOM 903 C SER A 57 2.465 -1.133 -15.578 1.00 42.35 C ATOM 904 O SER A 57 1.972 -0.951 -16.692 1.00 13.13 O ATOM 905 CB SER A 57 1.744 -2.434 -13.567 1.00 73.03 C ATOM 906 OG SER A 57 2.878 -2.414 -12.718 1.00 13.53 O ATOM 0 H SER A 57 -0.365 -1.720 -14.740 1.00 0.31 H new ATOM 0 HA SER A 57 1.935 -0.297 -13.683 1.00 42.03 H new ATOM 0 HB2 SER A 57 0.847 -2.620 -12.976 1.00 73.03 H new ATOM 0 HB3 SER A 57 1.833 -3.255 -14.278 1.00 73.03 H new ATOM 0 HG SER A 57 2.594 -2.548 -11.790 1.00 13.53 H new ATOM 912 N LYS A 58 3.762 -1.356 -15.391 1.00 14.32 N ATOM 913 CA LYS A 58 4.700 -1.402 -16.506 1.00 32.01 C ATOM 914 C LYS A 58 4.546 -2.700 -17.292 1.00 45.04 C ATOM 915 O LYS A 58 4.374 -2.683 -18.511 1.00 50.13 O ATOM 916 CB LYS A 58 6.137 -1.269 -15.996 1.00 54.12 C ATOM 917 CG LYS A 58 7.186 -1.466 -17.076 1.00 70.34 C ATOM 918 CD LYS A 58 7.105 -0.381 -18.137 1.00 63.31 C ATOM 919 CE LYS A 58 7.733 0.917 -17.655 1.00 11.52 C ATOM 920 NZ LYS A 58 7.779 1.945 -18.732 1.00 23.30 N ATOM 0 H LYS A 58 4.187 -1.508 -14.476 1.00 14.32 H new ATOM 0 HA LYS A 58 4.478 -0.567 -17.170 1.00 32.01 H new ATOM 0 HB2 LYS A 58 6.266 -0.282 -15.552 1.00 54.12 H new ATOM 0 HB3 LYS A 58 6.302 -1.999 -15.204 1.00 54.12 H new ATOM 0 HG2 LYS A 58 8.179 -1.462 -16.625 1.00 70.34 H new ATOM 0 HG3 LYS A 58 7.051 -2.442 -17.542 1.00 70.34 H new ATOM 0 HD2 LYS A 58 7.611 -0.717 -19.042 1.00 63.31 H new ATOM 0 HD3 LYS A 58 6.062 -0.206 -18.401 1.00 63.31 H new ATOM 0 HE2 LYS A 58 7.165 1.303 -16.809 1.00 11.52 H new ATOM 0 HE3 LYS A 58 8.744 0.720 -17.297 1.00 11.52 H new ATOM 0 HZ1 LYS A 58 8.214 2.815 -18.363 1.00 23.30 H new ATOM 0 HZ2 LYS A 58 8.343 1.587 -19.530 1.00 23.30 H new ATOM 0 HZ3 LYS A 58 6.813 2.152 -19.056 1.00 23.30 H new ATOM 934 N LYS A 59 4.609 -3.824 -16.587 1.00 70.54 N ATOM 935 CA LYS A 59 4.474 -5.132 -17.218 1.00 63.13 C ATOM 936 C LYS A 59 3.006 -5.486 -17.428 1.00 74.32 C ATOM 937 O LYS A 59 2.652 -6.168 -18.392 1.00 2.44 O ATOM 938 CB LYS A 59 5.152 -6.206 -16.364 1.00 12.33 C ATOM 939 CG LYS A 59 6.490 -5.772 -15.790 1.00 15.11 C ATOM 940 CD LYS A 59 7.428 -5.277 -16.877 1.00 45.13 C ATOM 941 CE LYS A 59 7.674 -6.346 -17.931 1.00 53.00 C ATOM 942 NZ LYS A 59 8.966 -6.139 -18.641 1.00 41.43 N ATOM 0 H LYS A 59 4.753 -3.856 -15.578 1.00 70.54 H new ATOM 0 HA LYS A 59 4.962 -5.090 -18.192 1.00 63.13 H new ATOM 0 HB2 LYS A 59 4.487 -6.481 -15.545 1.00 12.33 H new ATOM 0 HB3 LYS A 59 5.299 -7.101 -16.969 1.00 12.33 H new ATOM 0 HG2 LYS A 59 6.333 -4.982 -15.056 1.00 15.11 H new ATOM 0 HG3 LYS A 59 6.950 -6.609 -15.264 1.00 15.11 H new ATOM 0 HD2 LYS A 59 7.004 -4.390 -17.349 1.00 45.13 H new ATOM 0 HD3 LYS A 59 8.377 -4.978 -16.432 1.00 45.13 H new ATOM 0 HE2 LYS A 59 7.673 -7.328 -17.459 1.00 53.00 H new ATOM 0 HE3 LYS A 59 6.858 -6.338 -18.653 1.00 53.00 H new ATOM 0 HZ1 LYS A 59 9.096 -6.888 -19.351 1.00 41.43 H new ATOM 0 HZ2 LYS A 59 8.958 -5.212 -19.113 1.00 41.43 H new ATOM 0 HZ3 LYS A 59 9.748 -6.172 -17.956 1.00 41.43 H new ATOM 956 N LEU A 60 2.154 -5.019 -16.522 1.00 71.02 N ATOM 957 CA LEU A 60 0.722 -5.285 -16.609 1.00 61.20 C ATOM 958 C LEU A 60 0.458 -6.632 -17.274 1.00 21.53 C ATOM 959 O LEU A 60 -0.315 -6.725 -18.227 1.00 42.43 O ATOM 960 CB LEU A 60 0.023 -4.172 -17.391 1.00 71.02 C ATOM 961 CG LEU A 60 0.773 -3.636 -18.611 1.00 50.30 C ATOM 962 CD1 LEU A 60 0.496 -4.501 -19.831 1.00 12.42 C ATOM 963 CD2 LEU A 60 0.386 -2.189 -18.882 1.00 31.15 C ATOM 0 H LEU A 60 2.430 -4.454 -15.719 1.00 71.02 H new ATOM 0 HA LEU A 60 0.321 -5.316 -15.596 1.00 61.20 H new ATOM 0 HB2 LEU A 60 -0.948 -4.541 -17.720 1.00 71.02 H new ATOM 0 HB3 LEU A 60 -0.165 -3.341 -16.711 1.00 71.02 H new ATOM 0 HG LEU A 60 1.842 -3.672 -18.401 1.00 50.30 H new ATOM 0 HD11 LEU A 60 1.038 -4.104 -20.689 1.00 12.42 H new ATOM 0 HD12 LEU A 60 0.824 -5.522 -19.635 1.00 12.42 H new ATOM 0 HD13 LEU A 60 -0.573 -4.498 -20.044 1.00 12.42 H new ATOM 0 HD21 LEU A 60 0.929 -1.824 -19.754 1.00 31.15 H new ATOM 0 HD22 LEU A 60 -0.686 -2.128 -19.071 1.00 31.15 H new ATOM 0 HD23 LEU A 60 0.637 -1.577 -18.016 1.00 31.15 H new ATOM 975 N SER A 61 1.104 -7.676 -16.762 1.00 51.42 N ATOM 976 CA SER A 61 0.940 -9.018 -17.307 1.00 62.21 C ATOM 977 C SER A 61 -0.353 -9.654 -16.807 1.00 14.35 C ATOM 978 O SER A 61 -0.809 -9.368 -15.700 1.00 32.32 O ATOM 979 CB SER A 61 2.134 -9.896 -16.925 1.00 51.42 C ATOM 980 OG SER A 61 3.131 -9.866 -17.931 1.00 43.34 O ATOM 0 H SER A 61 1.745 -7.617 -15.971 1.00 51.42 H new ATOM 0 HA SER A 61 0.889 -8.938 -18.393 1.00 62.21 H new ATOM 0 HB2 SER A 61 2.555 -9.552 -15.981 1.00 51.42 H new ATOM 0 HB3 SER A 61 1.800 -10.922 -16.770 1.00 51.42 H new ATOM 0 HG SER A 61 3.884 -10.433 -17.663 1.00 43.34 H new ATOM 986 N GLU A 62 -0.939 -10.517 -17.631 1.00 10.32 N ATOM 987 CA GLU A 62 -2.181 -11.192 -17.272 1.00 64.22 C ATOM 988 C GLU A 62 -1.938 -12.238 -16.187 1.00 44.44 C ATOM 989 O GLU A 62 -2.831 -12.549 -15.398 1.00 64.12 O ATOM 990 CB GLU A 62 -2.801 -11.855 -18.504 1.00 40.42 C ATOM 991 CG GLU A 62 -4.050 -12.663 -18.196 1.00 71.15 C ATOM 992 CD GLU A 62 -5.110 -12.532 -19.273 1.00 1.20 C ATOM 993 OE1 GLU A 62 -5.513 -11.388 -19.571 1.00 52.12 O ATOM 994 OE2 GLU A 62 -5.536 -13.572 -19.817 1.00 12.23 O ATOM 0 H GLU A 62 -0.574 -10.765 -18.551 1.00 10.32 H new ATOM 0 HA GLU A 62 -2.872 -10.444 -16.884 1.00 64.22 H new ATOM 0 HB2 GLU A 62 -3.048 -11.085 -19.235 1.00 40.42 H new ATOM 0 HB3 GLU A 62 -2.061 -12.508 -18.966 1.00 40.42 H new ATOM 0 HG2 GLU A 62 -3.780 -13.713 -18.083 1.00 71.15 H new ATOM 0 HG3 GLU A 62 -4.464 -12.336 -17.242 1.00 71.15 H new ATOM 1001 N LEU A 63 -0.724 -12.776 -16.155 1.00 23.24 N ATOM 1002 CA LEU A 63 -0.362 -13.787 -15.167 1.00 63.34 C ATOM 1003 C LEU A 63 -0.613 -13.280 -13.751 1.00 71.10 C ATOM 1004 O LEU A 63 -1.045 -12.144 -13.555 1.00 12.32 O ATOM 1005 CB LEU A 63 1.108 -14.181 -15.327 1.00 33.21 C ATOM 1006 CG LEU A 63 1.397 -15.303 -16.324 1.00 63.44 C ATOM 1007 CD1 LEU A 63 0.845 -16.626 -15.815 1.00 43.21 C ATOM 1008 CD2 LEU A 63 0.812 -14.969 -17.688 1.00 52.25 C ATOM 0 H LEU A 63 0.026 -12.530 -16.801 1.00 23.24 H new ATOM 0 HA LEU A 63 -0.988 -14.664 -15.335 1.00 63.34 H new ATOM 0 HB2 LEU A 63 1.669 -13.298 -15.632 1.00 33.21 H new ATOM 0 HB3 LEU A 63 1.491 -14.481 -14.352 1.00 33.21 H new ATOM 0 HG LEU A 63 2.478 -15.400 -16.428 1.00 63.44 H new ATOM 0 HD11 LEU A 63 1.060 -17.413 -16.538 1.00 43.21 H new ATOM 0 HD12 LEU A 63 1.312 -16.872 -14.861 1.00 43.21 H new ATOM 0 HD13 LEU A 63 -0.233 -16.543 -15.680 1.00 43.21 H new ATOM 0 HD21 LEU A 63 1.028 -15.779 -18.385 1.00 52.25 H new ATOM 0 HD22 LEU A 63 -0.267 -14.844 -17.600 1.00 52.25 H new ATOM 0 HD23 LEU A 63 1.256 -14.045 -18.058 1.00 52.25 H new ATOM 1020 N HIS A 64 -0.338 -14.129 -12.766 1.00 61.41 N ATOM 1021 CA HIS A 64 -0.532 -13.766 -11.367 1.00 25.02 C ATOM 1022 C HIS A 64 -2.002 -13.479 -11.079 1.00 10.24 C ATOM 1023 O HIS A 64 -2.420 -12.329 -10.945 1.00 55.45 O ATOM 1024 CB HIS A 64 0.318 -12.545 -11.013 1.00 15.21 C ATOM 1025 CG HIS A 64 1.610 -12.889 -10.338 1.00 52.24 C ATOM 1026 ND1 HIS A 64 2.842 -12.557 -10.860 1.00 5.03 N ATOM 1027 CD2 HIS A 64 1.857 -13.538 -9.177 1.00 13.14 C ATOM 1028 CE1 HIS A 64 3.792 -12.989 -10.049 1.00 13.44 C ATOM 1029 NE2 HIS A 64 3.220 -13.587 -9.019 1.00 71.13 N ATOM 0 H HIS A 64 0.020 -15.073 -12.911 1.00 61.41 H new ATOM 0 HA HIS A 64 -0.218 -14.609 -10.751 1.00 25.02 H new ATOM 0 HB2 HIS A 64 0.531 -11.985 -11.923 1.00 15.21 H new ATOM 0 HB3 HIS A 64 -0.259 -11.888 -10.362 1.00 15.21 H new ATOM 0 HD2 HIS A 64 1.119 -13.942 -8.500 1.00 13.14 H new ATOM 0 HE1 HIS A 64 4.855 -12.873 -10.202 1.00 13.44 H new ATOM 0 HE2 HIS A 64 3.711 -14.015 -8.234 1.00 71.13 H new ATOM 1037 N PRO A 65 -2.806 -14.548 -10.980 1.00 52.15 N ATOM 1038 CA PRO A 65 -4.242 -14.436 -10.707 1.00 51.15 C ATOM 1039 C PRO A 65 -4.527 -13.969 -9.284 1.00 42.42 C ATOM 1040 O PRO A 65 -5.539 -13.319 -9.026 1.00 54.10 O ATOM 1041 CB PRO A 65 -4.755 -15.863 -10.914 1.00 62.33 C ATOM 1042 CG PRO A 65 -3.571 -16.731 -10.661 1.00 30.52 C ATOM 1043 CD PRO A 65 -2.375 -15.948 -11.128 1.00 34.31 C ATOM 0 HA PRO A 65 -4.722 -13.698 -11.350 1.00 51.15 H new ATOM 0 HB2 PRO A 65 -5.570 -16.094 -10.228 1.00 62.33 H new ATOM 0 HB3 PRO A 65 -5.140 -16.003 -11.924 1.00 62.33 H new ATOM 0 HG2 PRO A 65 -3.487 -16.977 -9.603 1.00 30.52 H new ATOM 0 HG3 PRO A 65 -3.656 -17.674 -11.202 1.00 30.52 H new ATOM 0 HD2 PRO A 65 -1.493 -16.163 -10.525 1.00 34.31 H new ATOM 0 HD3 PRO A 65 -2.119 -16.183 -12.161 1.00 34.31 H new ATOM 1051 N GLU A 66 -3.627 -14.303 -8.365 1.00 22.51 N ATOM 1052 CA GLU A 66 -3.783 -13.917 -6.967 1.00 71.55 C ATOM 1053 C GLU A 66 -3.531 -12.424 -6.784 1.00 44.31 C ATOM 1054 O GLU A 66 -4.069 -11.801 -5.870 1.00 13.12 O ATOM 1055 CB GLU A 66 -2.826 -14.720 -6.083 1.00 52.05 C ATOM 1056 CG GLU A 66 -3.531 -15.587 -5.054 1.00 11.23 C ATOM 1057 CD GLU A 66 -2.772 -15.670 -3.744 1.00 31.43 C ATOM 1058 OE1 GLU A 66 -1.901 -16.557 -3.619 1.00 33.11 O ATOM 1059 OE2 GLU A 66 -3.048 -14.850 -2.844 1.00 35.23 O ATOM 0 H GLU A 66 -2.783 -14.840 -8.563 1.00 22.51 H new ATOM 0 HA GLU A 66 -4.809 -14.134 -6.669 1.00 71.55 H new ATOM 0 HB2 GLU A 66 -2.206 -15.354 -6.716 1.00 52.05 H new ATOM 0 HB3 GLU A 66 -2.156 -14.031 -5.568 1.00 52.05 H new ATOM 0 HG2 GLU A 66 -4.527 -15.186 -4.868 1.00 11.23 H new ATOM 0 HG3 GLU A 66 -3.662 -16.591 -5.458 1.00 11.23 H new ATOM 1066 N GLU A 67 -2.707 -11.857 -7.660 1.00 50.23 N ATOM 1067 CA GLU A 67 -2.382 -10.437 -7.594 1.00 1.11 C ATOM 1068 C GLU A 67 -3.605 -9.583 -7.914 1.00 75.13 C ATOM 1069 O GLU A 67 -3.750 -8.471 -7.406 1.00 42.03 O ATOM 1070 CB GLU A 67 -1.247 -10.105 -8.564 1.00 45.05 C ATOM 1071 CG GLU A 67 0.110 -10.622 -8.114 1.00 55.14 C ATOM 1072 CD GLU A 67 0.777 -9.708 -7.106 1.00 10.54 C ATOM 1073 OE1 GLU A 67 0.063 -8.898 -6.476 1.00 64.51 O ATOM 1074 OE2 GLU A 67 2.012 -9.800 -6.946 1.00 32.43 O ATOM 0 H GLU A 67 -2.253 -12.359 -8.423 1.00 50.23 H new ATOM 0 HA GLU A 67 -2.059 -10.212 -6.578 1.00 1.11 H new ATOM 0 HB2 GLU A 67 -1.481 -10.527 -9.542 1.00 45.05 H new ATOM 0 HB3 GLU A 67 -1.191 -9.024 -8.688 1.00 45.05 H new ATOM 0 HG2 GLU A 67 -0.010 -11.613 -7.677 1.00 55.14 H new ATOM 0 HG3 GLU A 67 0.759 -10.733 -8.983 1.00 55.14 H new ATOM 1081 N ARG A 68 -4.483 -10.112 -8.761 1.00 13.43 N ATOM 1082 CA ARG A 68 -5.693 -9.398 -9.151 1.00 34.12 C ATOM 1083 C ARG A 68 -6.464 -8.923 -7.923 1.00 0.44 C ATOM 1084 O ARG A 68 -6.750 -7.734 -7.777 1.00 51.03 O ATOM 1085 CB ARG A 68 -6.586 -10.296 -10.010 1.00 3.11 C ATOM 1086 CG ARG A 68 -6.602 -9.910 -11.480 1.00 73.31 C ATOM 1087 CD ARG A 68 -5.460 -10.565 -12.241 1.00 5.35 C ATOM 1088 NE ARG A 68 -5.337 -10.044 -13.599 1.00 52.24 N ATOM 1089 CZ ARG A 68 -6.157 -10.377 -14.591 1.00 4.34 C ATOM 1090 NH1 ARG A 68 -7.153 -11.225 -14.375 1.00 44.22 N ATOM 1091 NH2 ARG A 68 -5.981 -9.860 -15.800 1.00 63.32 N ATOM 0 H ARG A 68 -4.379 -11.032 -9.190 1.00 13.43 H new ATOM 0 HA ARG A 68 -5.398 -8.525 -9.734 1.00 34.12 H new ATOM 0 HB2 ARG A 68 -6.246 -11.328 -9.917 1.00 3.11 H new ATOM 0 HB3 ARG A 68 -7.604 -10.260 -9.622 1.00 3.11 H new ATOM 0 HG2 ARG A 68 -7.553 -10.205 -11.924 1.00 73.31 H new ATOM 0 HG3 ARG A 68 -6.529 -8.826 -11.574 1.00 73.31 H new ATOM 0 HD2 ARG A 68 -4.526 -10.401 -11.704 1.00 5.35 H new ATOM 0 HD3 ARG A 68 -5.621 -11.642 -12.279 1.00 5.35 H new ATOM 0 HE ARG A 68 -4.581 -9.389 -13.798 1.00 52.24 H new ATOM 0 HH11 ARG A 68 -7.291 -11.623 -13.446 1.00 44.22 H new ATOM 0 HH12 ARG A 68 -7.781 -11.479 -15.138 1.00 44.22 H new ATOM 0 HH21 ARG A 68 -5.216 -9.207 -15.969 1.00 63.32 H new ATOM 0 HH22 ARG A 68 -6.610 -10.116 -16.561 1.00 63.32 H new ATOM 1105 N LYS A 69 -6.798 -9.859 -7.041 1.00 2.00 N ATOM 1106 CA LYS A 69 -7.535 -9.537 -5.825 1.00 25.35 C ATOM 1107 C LYS A 69 -6.706 -8.645 -4.906 1.00 44.23 C ATOM 1108 O LYS A 69 -7.243 -7.786 -4.207 1.00 33.23 O ATOM 1109 CB LYS A 69 -7.928 -10.820 -5.088 1.00 2.32 C ATOM 1110 CG LYS A 69 -6.781 -11.802 -4.922 1.00 74.24 C ATOM 1111 CD LYS A 69 -7.164 -12.958 -4.013 1.00 1.43 C ATOM 1112 CE LYS A 69 -8.336 -13.747 -4.577 1.00 3.44 C ATOM 1113 NZ LYS A 69 -8.628 -14.961 -3.766 1.00 64.43 N ATOM 0 H LYS A 69 -6.570 -10.848 -7.146 1.00 2.00 H new ATOM 0 HA LYS A 69 -8.438 -8.997 -6.110 1.00 25.35 H new ATOM 0 HB2 LYS A 69 -8.317 -10.559 -4.104 1.00 2.32 H new ATOM 0 HB3 LYS A 69 -8.737 -11.308 -5.631 1.00 2.32 H new ATOM 0 HG2 LYS A 69 -6.487 -12.188 -5.898 1.00 74.24 H new ATOM 0 HG3 LYS A 69 -5.915 -11.285 -4.509 1.00 74.24 H new ATOM 0 HD2 LYS A 69 -6.307 -13.620 -3.884 1.00 1.43 H new ATOM 0 HD3 LYS A 69 -7.423 -12.575 -3.026 1.00 1.43 H new ATOM 0 HE2 LYS A 69 -9.220 -13.111 -4.610 1.00 3.44 H new ATOM 0 HE3 LYS A 69 -8.116 -14.040 -5.604 1.00 3.44 H new ATOM 0 HZ1 LYS A 69 -9.433 -15.471 -4.183 1.00 64.43 H new ATOM 0 HZ2 LYS A 69 -7.793 -15.581 -3.756 1.00 64.43 H new ATOM 0 HZ3 LYS A 69 -8.863 -14.680 -2.793 1.00 64.43 H new ATOM 1127 N LYS A 70 -5.393 -8.852 -4.914 1.00 72.05 N ATOM 1128 CA LYS A 70 -4.489 -8.065 -4.085 1.00 3.11 C ATOM 1129 C LYS A 70 -4.568 -6.585 -4.446 1.00 33.00 C ATOM 1130 O LYS A 70 -4.778 -5.735 -3.581 1.00 4.15 O ATOM 1131 CB LYS A 70 -3.051 -8.564 -4.247 1.00 0.42 C ATOM 1132 CG LYS A 70 -2.040 -7.782 -3.426 1.00 20.24 C ATOM 1133 CD LYS A 70 -0.809 -8.617 -3.115 1.00 71.20 C ATOM 1134 CE LYS A 70 -1.022 -9.489 -1.887 1.00 12.32 C ATOM 1135 NZ LYS A 70 -0.098 -10.656 -1.868 1.00 71.31 N ATOM 0 H LYS A 70 -4.932 -9.559 -5.486 1.00 72.05 H new ATOM 0 HA LYS A 70 -4.794 -8.184 -3.045 1.00 3.11 H new ATOM 0 HB2 LYS A 70 -3.005 -9.614 -3.960 1.00 0.42 H new ATOM 0 HB3 LYS A 70 -2.772 -8.509 -5.299 1.00 0.42 H new ATOM 0 HG2 LYS A 70 -1.744 -6.885 -3.970 1.00 20.24 H new ATOM 0 HG3 LYS A 70 -2.502 -7.453 -2.495 1.00 20.24 H new ATOM 0 HD2 LYS A 70 -0.569 -9.246 -3.972 1.00 71.20 H new ATOM 0 HD3 LYS A 70 0.046 -7.960 -2.952 1.00 71.20 H new ATOM 0 HE2 LYS A 70 -0.872 -8.892 -0.987 1.00 12.32 H new ATOM 0 HE3 LYS A 70 -2.053 -9.842 -1.867 1.00 12.32 H new ATOM 0 HZ1 LYS A 70 -0.275 -11.225 -1.016 1.00 71.31 H new ATOM 0 HZ2 LYS A 70 -0.259 -11.240 -2.714 1.00 71.31 H new ATOM 0 HZ3 LYS A 70 0.886 -10.320 -1.861 1.00 71.31 H new ATOM 1149 N VAL A 71 -4.401 -6.284 -5.730 1.00 13.00 N ATOM 1150 CA VAL A 71 -4.457 -4.907 -6.206 1.00 0.12 C ATOM 1151 C VAL A 71 -5.871 -4.347 -6.104 1.00 13.01 C ATOM 1152 O VAL A 71 -6.062 -3.153 -5.870 1.00 21.40 O ATOM 1153 CB VAL A 71 -3.977 -4.798 -7.665 1.00 53.44 C ATOM 1154 CG1 VAL A 71 -2.526 -5.238 -7.785 1.00 53.01 C ATOM 1155 CG2 VAL A 71 -4.870 -5.620 -8.582 1.00 71.11 C ATOM 0 H VAL A 71 -4.226 -6.975 -6.459 1.00 13.00 H new ATOM 0 HA VAL A 71 -3.792 -4.324 -5.568 1.00 0.12 H new ATOM 0 HB VAL A 71 -4.041 -3.754 -7.973 1.00 53.44 H new ATOM 0 HG11 VAL A 71 -2.205 -5.154 -8.823 1.00 53.01 H new ATOM 0 HG12 VAL A 71 -1.900 -4.602 -7.159 1.00 53.01 H new ATOM 0 HG13 VAL A 71 -2.432 -6.274 -7.459 1.00 53.01 H new ATOM 0 HG21 VAL A 71 -4.516 -5.532 -9.609 1.00 71.11 H new ATOM 0 HG22 VAL A 71 -4.840 -6.666 -8.277 1.00 71.11 H new ATOM 0 HG23 VAL A 71 -5.894 -5.252 -8.518 1.00 71.11 H new ATOM 1165 N ARG A 72 -6.860 -5.217 -6.281 1.00 13.15 N ATOM 1166 CA ARG A 72 -8.258 -4.809 -6.209 1.00 73.22 C ATOM 1167 C ARG A 72 -8.584 -4.221 -4.839 1.00 43.34 C ATOM 1168 O ARG A 72 -9.117 -3.116 -4.739 1.00 62.31 O ATOM 1169 CB ARG A 72 -9.174 -6.001 -6.495 1.00 13.41 C ATOM 1170 CG ARG A 72 -9.351 -6.292 -7.976 1.00 45.23 C ATOM 1171 CD ARG A 72 -10.257 -5.268 -8.641 1.00 73.12 C ATOM 1172 NE ARG A 72 -11.577 -5.218 -8.017 1.00 63.31 N ATOM 1173 CZ ARG A 72 -12.532 -4.371 -8.384 1.00 61.31 C ATOM 1174 NH1 ARG A 72 -12.315 -3.508 -9.367 1.00 73.20 N ATOM 1175 NH2 ARG A 72 -13.707 -4.387 -7.768 1.00 1.22 N ATOM 0 H ARG A 72 -6.719 -6.208 -6.475 1.00 13.15 H new ATOM 0 HA ARG A 72 -8.425 -4.041 -6.964 1.00 73.22 H new ATOM 0 HB2 ARG A 72 -8.768 -6.886 -6.006 1.00 13.41 H new ATOM 0 HB3 ARG A 72 -10.151 -5.812 -6.051 1.00 13.41 H new ATOM 0 HG2 ARG A 72 -8.378 -6.291 -8.467 1.00 45.23 H new ATOM 0 HG3 ARG A 72 -9.772 -7.289 -8.104 1.00 45.23 H new ATOM 0 HD2 ARG A 72 -9.793 -4.283 -8.586 1.00 73.12 H new ATOM 0 HD3 ARG A 72 -10.365 -5.511 -9.698 1.00 73.12 H new ATOM 0 HE ARG A 72 -11.776 -5.869 -7.258 1.00 63.31 H new ATOM 0 HH11 ARG A 72 -11.413 -3.494 -9.843 1.00 73.20 H new ATOM 0 HH12 ARG A 72 -13.050 -2.859 -9.647 1.00 73.20 H new ATOM 0 HH21 ARG A 72 -13.877 -5.050 -7.012 1.00 1.22 H new ATOM 0 HH22 ARG A 72 -14.440 -3.736 -8.050 1.00 1.22 H new ATOM 1189 N GLU A 73 -8.259 -4.967 -3.788 1.00 53.11 N ATOM 1190 CA GLU A 73 -8.519 -4.519 -2.425 1.00 2.10 C ATOM 1191 C GLU A 73 -7.598 -3.362 -2.048 1.00 52.31 C ATOM 1192 O GLU A 73 -7.985 -2.464 -1.300 1.00 2.42 O ATOM 1193 CB GLU A 73 -8.332 -5.675 -1.440 1.00 71.02 C ATOM 1194 CG GLU A 73 -6.957 -6.318 -1.510 1.00 11.34 C ATOM 1195 CD GLU A 73 -5.922 -5.572 -0.690 1.00 14.23 C ATOM 1196 OE1 GLU A 73 -6.320 -4.719 0.132 1.00 22.20 O ATOM 1197 OE2 GLU A 73 -4.716 -5.840 -0.869 1.00 52.15 O ATOM 0 H GLU A 73 -7.816 -5.883 -3.854 1.00 53.11 H new ATOM 0 HA GLU A 73 -9.551 -4.171 -2.375 1.00 2.10 H new ATOM 0 HB2 GLU A 73 -8.502 -5.309 -0.427 1.00 71.02 H new ATOM 0 HB3 GLU A 73 -9.089 -6.434 -1.636 1.00 71.02 H new ATOM 0 HG2 GLU A 73 -7.023 -7.347 -1.156 1.00 11.34 H new ATOM 0 HG3 GLU A 73 -6.631 -6.358 -2.549 1.00 11.34 H new ATOM 1204 N LYS A 74 -6.377 -3.390 -2.571 1.00 72.34 N ATOM 1205 CA LYS A 74 -5.400 -2.345 -2.292 1.00 1.10 C ATOM 1206 C LYS A 74 -5.913 -0.984 -2.751 1.00 43.22 C ATOM 1207 O LYS A 74 -5.955 -0.031 -1.973 1.00 54.41 O ATOM 1208 CB LYS A 74 -4.072 -2.661 -2.984 1.00 31.40 C ATOM 1209 CG LYS A 74 -2.853 -2.223 -2.191 1.00 32.44 C ATOM 1210 CD LYS A 74 -2.915 -0.745 -1.844 1.00 34.45 C ATOM 1211 CE LYS A 74 -2.890 0.122 -3.093 1.00 3.13 C ATOM 1212 NZ LYS A 74 -2.126 1.382 -2.877 1.00 41.23 N ATOM 0 H LYS A 74 -6.040 -4.126 -3.191 1.00 72.34 H new ATOM 0 HA LYS A 74 -5.241 -2.310 -1.214 1.00 1.10 H new ATOM 0 HB2 LYS A 74 -4.012 -3.734 -3.163 1.00 31.40 H new ATOM 0 HB3 LYS A 74 -4.055 -2.174 -3.959 1.00 31.40 H new ATOM 0 HG2 LYS A 74 -2.783 -2.810 -1.275 1.00 32.44 H new ATOM 0 HG3 LYS A 74 -1.951 -2.425 -2.768 1.00 32.44 H new ATOM 0 HD2 LYS A 74 -3.823 -0.541 -1.276 1.00 34.45 H new ATOM 0 HD3 LYS A 74 -2.073 -0.485 -1.202 1.00 34.45 H new ATOM 0 HE2 LYS A 74 -2.443 -0.438 -3.915 1.00 3.13 H new ATOM 0 HE3 LYS A 74 -3.911 0.362 -3.389 1.00 3.13 H new ATOM 0 HZ1 LYS A 74 -2.132 1.946 -3.751 1.00 41.23 H new ATOM 0 HZ2 LYS A 74 -2.567 1.928 -2.110 1.00 41.23 H new ATOM 0 HZ3 LYS A 74 -1.145 1.153 -2.619 1.00 41.23 H new ATOM 1226 N PHE A 75 -6.303 -0.900 -4.019 1.00 25.31 N ATOM 1227 CA PHE A 75 -6.813 0.344 -4.581 1.00 53.44 C ATOM 1228 C PHE A 75 -8.207 0.653 -4.042 1.00 40.23 C ATOM 1229 O PHE A 75 -8.567 1.815 -3.851 1.00 70.13 O ATOM 1230 CB PHE A 75 -6.852 0.261 -6.109 1.00 21.33 C ATOM 1231 CG PHE A 75 -8.222 -0.015 -6.660 1.00 2.35 C ATOM 1232 CD1 PHE A 75 -9.098 1.025 -6.926 1.00 1.24 C ATOM 1233 CD2 PHE A 75 -8.634 -1.314 -6.911 1.00 3.43 C ATOM 1234 CE1 PHE A 75 -10.359 0.775 -7.433 1.00 11.31 C ATOM 1235 CE2 PHE A 75 -9.893 -1.570 -7.418 1.00 54.53 C ATOM 1236 CZ PHE A 75 -10.758 -0.524 -7.679 1.00 4.05 C ATOM 0 H PHE A 75 -6.275 -1.679 -4.676 1.00 25.31 H new ATOM 0 HA PHE A 75 -6.141 1.149 -4.285 1.00 53.44 H new ATOM 0 HB2 PHE A 75 -6.484 1.199 -6.525 1.00 21.33 H new ATOM 0 HB3 PHE A 75 -6.171 -0.523 -6.440 1.00 21.33 H new ATOM 0 HD1 PHE A 75 -8.792 2.043 -6.735 1.00 1.24 H new ATOM 0 HD2 PHE A 75 -7.963 -2.136 -6.708 1.00 3.43 H new ATOM 0 HE1 PHE A 75 -11.032 1.595 -7.637 1.00 11.31 H new ATOM 0 HE2 PHE A 75 -10.201 -2.587 -7.610 1.00 54.53 H new ATOM 0 HZ PHE A 75 -11.743 -0.722 -8.074 1.00 4.05 H new ATOM 1246 N ASP A 76 -8.986 -0.395 -3.800 1.00 14.21 N ATOM 1247 CA ASP A 76 -10.341 -0.237 -3.283 1.00 23.15 C ATOM 1248 C ASP A 76 -10.321 0.379 -1.887 1.00 40.01 C ATOM 1249 O ASP A 76 -11.039 1.340 -1.613 1.00 44.20 O ATOM 1250 CB ASP A 76 -11.057 -1.588 -3.247 1.00 24.21 C ATOM 1251 CG ASP A 76 -12.324 -1.550 -2.415 1.00 63.44 C ATOM 1252 OD1 ASP A 76 -12.979 -0.488 -2.381 1.00 5.22 O ATOM 1253 OD2 ASP A 76 -12.660 -2.583 -1.799 1.00 31.05 O ATOM 0 H ASP A 76 -8.703 -1.363 -3.953 1.00 14.21 H new ATOM 0 HA ASP A 76 -10.882 0.434 -3.950 1.00 23.15 H new ATOM 0 HB2 ASP A 76 -11.303 -1.893 -4.264 1.00 24.21 H new ATOM 0 HB3 ASP A 76 -10.383 -2.343 -2.842 1.00 24.21 H new ATOM 1258 N GLU A 77 -9.495 -0.182 -1.009 1.00 73.44 N ATOM 1259 CA GLU A 77 -9.384 0.311 0.358 1.00 14.41 C ATOM 1260 C GLU A 77 -8.694 1.672 0.391 1.00 12.00 C ATOM 1261 O GLU A 77 -9.120 2.579 1.105 1.00 74.23 O ATOM 1262 CB GLU A 77 -8.611 -0.686 1.223 1.00 30.11 C ATOM 1263 CG GLU A 77 -9.399 -1.941 1.557 1.00 34.31 C ATOM 1264 CD GLU A 77 -10.292 -1.764 2.770 1.00 52.01 C ATOM 1265 OE1 GLU A 77 -9.754 -1.675 3.894 1.00 54.44 O ATOM 1266 OE2 GLU A 77 -11.528 -1.715 2.596 1.00 44.21 O ATOM 0 H GLU A 77 -8.893 -0.978 -1.221 1.00 73.44 H new ATOM 0 HA GLU A 77 -10.391 0.423 0.759 1.00 14.41 H new ATOM 0 HB2 GLU A 77 -7.695 -0.970 0.705 1.00 30.11 H new ATOM 0 HB3 GLU A 77 -8.314 -0.196 2.150 1.00 30.11 H new ATOM 0 HG2 GLU A 77 -10.010 -2.221 0.699 1.00 34.31 H new ATOM 0 HG3 GLU A 77 -8.706 -2.763 1.737 1.00 34.31 H new ATOM 1273 N ASN A 78 -7.625 1.805 -0.387 1.00 3.32 N ATOM 1274 CA ASN A 78 -6.874 3.054 -0.446 1.00 41.24 C ATOM 1275 C ASN A 78 -7.772 4.209 -0.880 1.00 32.23 C ATOM 1276 O ASN A 78 -7.646 5.328 -0.382 1.00 21.51 O ATOM 1277 CB ASN A 78 -5.696 2.919 -1.413 1.00 44.51 C ATOM 1278 CG ASN A 78 -4.849 4.176 -1.471 1.00 41.33 C ATOM 1279 OD1 ASN A 78 -4.403 4.686 -0.443 1.00 71.12 O ATOM 1280 ND2 ASN A 78 -4.624 4.682 -2.678 1.00 44.32 N ATOM 0 H ASN A 78 -7.259 1.064 -0.985 1.00 3.32 H new ATOM 0 HA ASN A 78 -6.494 3.268 0.553 1.00 41.24 H new ATOM 0 HB2 ASN A 78 -5.073 2.078 -1.108 1.00 44.51 H new ATOM 0 HB3 ASN A 78 -6.072 2.691 -2.410 1.00 44.51 H new ATOM 0 HD21 ASN A 78 -4.062 5.527 -2.780 1.00 44.32 H new ATOM 0 HD22 ASN A 78 -5.014 4.226 -3.503 1.00 44.32 H new ATOM 1287 N SER A 79 -8.679 3.929 -1.810 1.00 35.33 N ATOM 1288 CA SER A 79 -9.597 4.944 -2.313 1.00 12.23 C ATOM 1289 C SER A 79 -10.717 5.208 -1.311 1.00 75.12 C ATOM 1290 O SER A 79 -11.101 6.355 -1.080 1.00 23.33 O ATOM 1291 CB SER A 79 -10.189 4.507 -3.654 1.00 53.30 C ATOM 1292 OG SER A 79 -11.333 5.278 -3.982 1.00 65.30 O ATOM 0 H SER A 79 -8.798 3.007 -2.231 1.00 35.33 H new ATOM 0 HA SER A 79 -9.036 5.867 -2.456 1.00 12.23 H new ATOM 0 HB2 SER A 79 -9.439 4.612 -4.438 1.00 53.30 H new ATOM 0 HB3 SER A 79 -10.458 3.452 -3.610 1.00 53.30 H new ATOM 0 HG SER A 79 -11.294 5.536 -4.927 1.00 65.30 H new ATOM 1298 N ARG A 80 -11.238 4.138 -0.720 1.00 73.42 N ATOM 1299 CA ARG A 80 -12.315 4.252 0.256 1.00 75.13 C ATOM 1300 C ARG A 80 -11.785 4.755 1.595 1.00 43.12 C ATOM 1301 O ARG A 80 -12.556 5.073 2.500 1.00 71.54 O ATOM 1302 CB ARG A 80 -13.007 2.900 0.444 1.00 10.53 C ATOM 1303 CG ARG A 80 -12.326 2.005 1.466 1.00 3.12 C ATOM 1304 CD ARG A 80 -13.030 2.061 2.813 1.00 63.20 C ATOM 1305 NE ARG A 80 -12.906 0.805 3.548 1.00 64.11 N ATOM 1306 CZ ARG A 80 -13.538 0.555 4.689 1.00 54.51 C ATOM 1307 NH1 ARG A 80 -14.336 1.471 5.222 1.00 23.34 N ATOM 1308 NH2 ARG A 80 -13.375 -0.612 5.298 1.00 4.34 N ATOM 0 H ARG A 80 -10.932 3.182 -0.900 1.00 73.42 H new ATOM 0 HA ARG A 80 -13.039 4.974 -0.122 1.00 75.13 H new ATOM 0 HB2 ARG A 80 -14.039 3.069 0.752 1.00 10.53 H new ATOM 0 HB3 ARG A 80 -13.041 2.382 -0.515 1.00 10.53 H new ATOM 0 HG2 ARG A 80 -12.316 0.978 1.102 1.00 3.12 H new ATOM 0 HG3 ARG A 80 -11.287 2.311 1.584 1.00 3.12 H new ATOM 0 HD2 ARG A 80 -12.610 2.872 3.408 1.00 63.20 H new ATOM 0 HD3 ARG A 80 -14.085 2.290 2.661 1.00 63.20 H new ATOM 0 HE ARG A 80 -12.300 0.080 3.164 1.00 64.11 H new ATOM 0 HH11 ARG A 80 -14.465 2.369 4.755 1.00 23.34 H new ATOM 0 HH12 ARG A 80 -14.821 1.277 6.098 1.00 23.34 H new ATOM 0 HH21 ARG A 80 -12.763 -1.319 4.890 1.00 4.34 H new ATOM 0 HH22 ARG A 80 -13.861 -0.802 6.174 1.00 4.34 H new ATOM 1322 N MET A 81 -10.463 4.824 1.713 1.00 2.42 N ATOM 1323 CA MET A 81 -9.829 5.289 2.942 1.00 53.54 C ATOM 1324 C MET A 81 -10.568 6.497 3.511 1.00 62.32 C ATOM 1325 O MET A 81 -11.025 7.363 2.766 1.00 44.13 O ATOM 1326 CB MET A 81 -8.365 5.649 2.681 1.00 31.22 C ATOM 1327 CG MET A 81 -7.410 4.482 2.874 1.00 44.42 C ATOM 1328 SD MET A 81 -6.562 4.534 4.465 1.00 74.14 S ATOM 1329 CE MET A 81 -7.365 3.180 5.319 1.00 25.34 C ATOM 0 H MET A 81 -9.810 4.564 0.974 1.00 2.42 H new ATOM 0 HA MET A 81 -9.872 4.481 3.672 1.00 53.54 H new ATOM 0 HB2 MET A 81 -8.267 6.023 1.662 1.00 31.22 H new ATOM 0 HB3 MET A 81 -8.074 6.460 3.348 1.00 31.22 H new ATOM 0 HG2 MET A 81 -7.964 3.547 2.792 1.00 44.42 H new ATOM 0 HG3 MET A 81 -6.671 4.486 2.073 1.00 44.42 H new ATOM 0 HE1 MET A 81 -6.948 3.084 6.322 1.00 25.34 H new ATOM 0 HE2 MET A 81 -8.435 3.377 5.388 1.00 25.34 H new ATOM 0 HE3 MET A 81 -7.201 2.254 4.768 1.00 25.34 H new ATOM 1339 N GLN A 82 -10.681 6.546 4.834 1.00 22.12 N ATOM 1340 CA GLN A 82 -11.365 7.647 5.502 1.00 71.14 C ATOM 1341 C GLN A 82 -10.777 8.989 5.079 1.00 53.31 C ATOM 1342 O GLN A 82 -9.613 9.073 4.688 1.00 24.05 O ATOM 1343 CB GLN A 82 -11.268 7.490 7.020 1.00 33.11 C ATOM 1344 CG GLN A 82 -11.875 6.196 7.538 1.00 70.33 C ATOM 1345 CD GLN A 82 -13.388 6.251 7.617 1.00 41.02 C ATOM 1346 OE1 GLN A 82 -13.955 6.580 8.659 1.00 10.20 O ATOM 1347 NE2 GLN A 82 -14.051 5.929 6.512 1.00 21.43 N ATOM 0 H GLN A 82 -10.308 5.836 5.465 1.00 22.12 H new ATOM 0 HA GLN A 82 -12.414 7.622 5.208 1.00 71.14 H new ATOM 0 HB2 GLN A 82 -10.220 7.533 7.315 1.00 33.11 H new ATOM 0 HB3 GLN A 82 -11.769 8.333 7.497 1.00 33.11 H new ATOM 0 HG2 GLN A 82 -11.579 5.374 6.886 1.00 70.33 H new ATOM 0 HG3 GLN A 82 -11.471 5.980 8.527 1.00 70.33 H new ATOM 0 HE21 GLN A 82 -13.540 5.662 5.670 1.00 21.43 H new ATOM 0 HE22 GLN A 82 -15.071 5.949 6.505 1.00 21.43 H new ATOM 1356 N TYR A 83 -11.590 10.037 5.159 1.00 32.20 N ATOM 1357 CA TYR A 83 -11.152 11.375 4.782 1.00 5.20 C ATOM 1358 C TYR A 83 -9.982 11.830 5.650 1.00 61.23 C ATOM 1359 O TYR A 83 -9.078 12.520 5.180 1.00 5.31 O ATOM 1360 CB TYR A 83 -12.309 12.368 4.906 1.00 62.32 C ATOM 1361 CG TYR A 83 -12.682 13.029 3.598 1.00 5.44 C ATOM 1362 CD1 TYR A 83 -11.785 13.859 2.937 1.00 53.35 C ATOM 1363 CD2 TYR A 83 -13.930 12.824 3.024 1.00 32.54 C ATOM 1364 CE1 TYR A 83 -12.122 14.466 1.742 1.00 11.42 C ATOM 1365 CE2 TYR A 83 -14.275 13.425 1.830 1.00 51.34 C ATOM 1366 CZ TYR A 83 -13.368 14.246 1.193 1.00 41.23 C ATOM 1367 OH TYR A 83 -13.707 14.848 0.002 1.00 23.15 O ATOM 0 H TYR A 83 -12.556 9.985 5.482 1.00 32.20 H new ATOM 0 HA TYR A 83 -10.820 11.342 3.744 1.00 5.20 H new ATOM 0 HB2 TYR A 83 -13.181 11.849 5.303 1.00 62.32 H new ATOM 0 HB3 TYR A 83 -12.040 13.138 5.629 1.00 62.32 H new ATOM 0 HD1 TYR A 83 -10.808 14.033 3.364 1.00 53.35 H new ATOM 0 HD2 TYR A 83 -14.643 12.183 3.521 1.00 32.54 H new ATOM 0 HE1 TYR A 83 -11.414 15.109 1.241 1.00 11.42 H new ATOM 0 HE2 TYR A 83 -15.249 13.253 1.397 1.00 51.34 H new ATOM 0 HH TYR A 83 -14.619 14.589 -0.248 1.00 23.15 H new ATOM 1377 N SER A 84 -10.007 11.436 6.919 1.00 13.21 N ATOM 1378 CA SER A 84 -8.952 11.805 7.855 1.00 65.21 C ATOM 1379 C SER A 84 -7.581 11.416 7.308 1.00 11.35 C ATOM 1380 O SER A 84 -6.668 12.239 7.253 1.00 23.13 O ATOM 1381 CB SER A 84 -9.183 11.131 9.209 1.00 40.21 C ATOM 1382 OG SER A 84 -10.558 11.135 9.552 1.00 61.31 O ATOM 0 H SER A 84 -10.747 10.861 7.323 1.00 13.21 H new ATOM 0 HA SER A 84 -8.979 12.887 7.987 1.00 65.21 H new ATOM 0 HB2 SER A 84 -8.816 10.105 9.176 1.00 40.21 H new ATOM 0 HB3 SER A 84 -8.611 11.649 9.979 1.00 40.21 H new ATOM 0 HG SER A 84 -10.680 10.697 10.420 1.00 61.31 H new ATOM 1388 N GLU A 85 -7.447 10.156 6.906 1.00 41.40 N ATOM 1389 CA GLU A 85 -6.188 9.658 6.365 1.00 40.14 C ATOM 1390 C GLU A 85 -5.965 10.171 4.945 1.00 52.22 C ATOM 1391 O GLU A 85 -4.829 10.387 4.521 1.00 22.25 O ATOM 1392 CB GLU A 85 -6.173 8.128 6.374 1.00 52.11 C ATOM 1393 CG GLU A 85 -4.785 7.534 6.541 1.00 61.20 C ATOM 1394 CD GLU A 85 -4.292 7.597 7.974 1.00 60.43 C ATOM 1395 OE1 GLU A 85 -5.054 8.067 8.844 1.00 71.12 O ATOM 1396 OE2 GLU A 85 -3.143 7.175 8.224 1.00 34.32 O ATOM 0 H GLU A 85 -8.194 9.462 6.945 1.00 41.40 H new ATOM 0 HA GLU A 85 -5.380 10.026 6.997 1.00 40.14 H new ATOM 0 HB2 GLU A 85 -6.811 7.772 7.183 1.00 52.11 H new ATOM 0 HB3 GLU A 85 -6.605 7.763 5.442 1.00 52.11 H new ATOM 0 HG2 GLU A 85 -4.796 6.496 6.210 1.00 61.20 H new ATOM 0 HG3 GLU A 85 -4.086 8.067 5.896 1.00 61.20 H new ATOM 1403 N LEU A 86 -7.058 10.364 4.214 1.00 45.31 N ATOM 1404 CA LEU A 86 -6.983 10.852 2.841 1.00 71.41 C ATOM 1405 C LEU A 86 -6.374 12.249 2.791 1.00 3.14 C ATOM 1406 O LEU A 86 -5.567 12.554 1.913 1.00 12.35 O ATOM 1407 CB LEU A 86 -8.376 10.867 2.208 1.00 3.42 C ATOM 1408 CG LEU A 86 -8.476 10.300 0.792 1.00 41.33 C ATOM 1409 CD1 LEU A 86 -7.595 11.091 -0.163 1.00 60.32 C ATOM 1410 CD2 LEU A 86 -8.093 8.828 0.779 1.00 62.45 C ATOM 0 H LEU A 86 -8.006 10.190 4.549 1.00 45.31 H new ATOM 0 HA LEU A 86 -6.341 10.176 2.276 1.00 71.41 H new ATOM 0 HB2 LEU A 86 -9.052 10.304 2.852 1.00 3.42 H new ATOM 0 HB3 LEU A 86 -8.735 11.896 2.192 1.00 3.42 H new ATOM 0 HG LEU A 86 -9.510 10.389 0.458 1.00 41.33 H new ATOM 0 HD11 LEU A 86 -7.679 10.673 -1.166 1.00 60.32 H new ATOM 0 HD12 LEU A 86 -7.916 12.133 -0.176 1.00 60.32 H new ATOM 0 HD13 LEU A 86 -6.558 11.035 0.168 1.00 60.32 H new ATOM 0 HD21 LEU A 86 -8.170 8.441 -0.237 1.00 62.45 H new ATOM 0 HD22 LEU A 86 -7.068 8.715 1.134 1.00 62.45 H new ATOM 0 HD23 LEU A 86 -8.766 8.271 1.431 1.00 62.45 H new ATOM 1422 N MET A 87 -6.764 13.093 3.741 1.00 3.01 N ATOM 1423 CA MET A 87 -6.253 14.457 3.807 1.00 1.34 C ATOM 1424 C MET A 87 -4.906 14.499 4.521 1.00 5.24 C ATOM 1425 O MET A 87 -4.077 15.372 4.257 1.00 74.41 O ATOM 1426 CB MET A 87 -7.253 15.365 4.527 1.00 62.34 C ATOM 1427 CG MET A 87 -7.926 16.374 3.611 1.00 44.15 C ATOM 1428 SD MET A 87 -8.786 15.595 2.231 1.00 32.52 S ATOM 1429 CE MET A 87 -7.874 16.262 0.842 1.00 41.20 C ATOM 0 H MET A 87 -7.432 12.856 4.475 1.00 3.01 H new ATOM 0 HA MET A 87 -6.115 14.816 2.787 1.00 1.34 H new ATOM 0 HB2 MET A 87 -8.018 14.748 4.998 1.00 62.34 H new ATOM 0 HB3 MET A 87 -6.737 15.899 5.325 1.00 62.34 H new ATOM 0 HG2 MET A 87 -8.636 16.966 4.189 1.00 44.15 H new ATOM 0 HG3 MET A 87 -7.176 17.064 3.224 1.00 44.15 H new ATOM 0 HE1 MET A 87 -8.564 16.489 0.029 1.00 41.20 H new ATOM 0 HE2 MET A 87 -7.361 17.174 1.148 1.00 41.20 H new ATOM 0 HE3 MET A 87 -7.142 15.530 0.502 1.00 41.20 H new ATOM 1439 N THR A 88 -4.692 13.551 5.428 1.00 4.15 N ATOM 1440 CA THR A 88 -3.446 13.481 6.181 1.00 23.14 C ATOM 1441 C THR A 88 -2.297 13.003 5.301 1.00 72.53 C ATOM 1442 O THR A 88 -1.226 13.609 5.275 1.00 20.14 O ATOM 1443 CB THR A 88 -3.574 12.540 7.394 1.00 74.41 C ATOM 1444 OG1 THR A 88 -4.493 13.089 8.345 1.00 33.40 O ATOM 1445 CG2 THR A 88 -2.222 12.321 8.055 1.00 0.33 C ATOM 0 H THR A 88 -5.366 12.821 5.659 1.00 4.15 H new ATOM 0 HA THR A 88 -3.234 14.490 6.534 1.00 23.14 H new ATOM 0 HB THR A 88 -3.948 11.578 7.042 1.00 74.41 H new ATOM 0 HG1 THR A 88 -5.376 12.683 8.218 1.00 33.40 H new ATOM 0 HG21 THR A 88 -2.338 11.653 8.909 1.00 0.33 H new ATOM 0 HG22 THR A 88 -1.534 11.875 7.337 1.00 0.33 H new ATOM 0 HG23 THR A 88 -1.824 13.277 8.394 1.00 0.33 H new ATOM 1453 N LYS A 89 -2.527 11.911 4.578 1.00 2.41 N ATOM 1454 CA LYS A 89 -1.512 11.352 3.693 1.00 30.43 C ATOM 1455 C LYS A 89 -1.273 12.264 2.494 1.00 25.43 C ATOM 1456 O LYS A 89 -0.350 12.043 1.709 1.00 54.02 O ATOM 1457 CB LYS A 89 -1.935 9.961 3.214 1.00 50.35 C ATOM 1458 CG LYS A 89 -0.878 8.893 3.436 1.00 11.40 C ATOM 1459 CD LYS A 89 -1.032 8.231 4.795 1.00 74.33 C ATOM 1460 CE LYS A 89 -0.261 8.980 5.871 1.00 74.42 C ATOM 1461 NZ LYS A 89 -0.561 8.458 7.233 1.00 74.21 N ATOM 0 H LYS A 89 -3.407 11.396 4.588 1.00 2.41 H new ATOM 0 HA LYS A 89 -0.581 11.269 4.254 1.00 30.43 H new ATOM 0 HB2 LYS A 89 -2.848 9.670 3.733 1.00 50.35 H new ATOM 0 HB3 LYS A 89 -2.173 10.009 2.151 1.00 50.35 H new ATOM 0 HG2 LYS A 89 -0.951 8.139 2.652 1.00 11.40 H new ATOM 0 HG3 LYS A 89 0.113 9.339 3.358 1.00 11.40 H new ATOM 0 HD2 LYS A 89 -2.088 8.191 5.064 1.00 74.33 H new ATOM 0 HD3 LYS A 89 -0.677 7.202 4.742 1.00 74.33 H new ATOM 0 HE2 LYS A 89 0.808 8.895 5.677 1.00 74.42 H new ATOM 0 HE3 LYS A 89 -0.510 10.040 5.825 1.00 74.42 H new ATOM 0 HZ1 LYS A 89 -0.484 9.230 7.925 1.00 74.21 H new ATOM 0 HZ2 LYS A 89 -1.526 8.071 7.252 1.00 74.21 H new ATOM 0 HZ3 LYS A 89 0.117 7.708 7.474 1.00 74.21 H new ATOM 1475 N TYR A 90 -2.107 13.288 2.360 1.00 0.44 N ATOM 1476 CA TYR A 90 -1.986 14.233 1.257 1.00 51.24 C ATOM 1477 C TYR A 90 -1.356 15.541 1.725 1.00 0.14 C ATOM 1478 O TYR A 90 -0.487 16.100 1.056 1.00 41.42 O ATOM 1479 CB TYR A 90 -3.359 14.508 0.640 1.00 22.21 C ATOM 1480 CG TYR A 90 -3.382 15.711 -0.275 1.00 41.11 C ATOM 1481 CD1 TYR A 90 -2.350 15.943 -1.176 1.00 4.01 C ATOM 1482 CD2 TYR A 90 -4.435 16.617 -0.239 1.00 30.54 C ATOM 1483 CE1 TYR A 90 -2.366 17.041 -2.014 1.00 2.54 C ATOM 1484 CE2 TYR A 90 -4.460 17.717 -1.074 1.00 34.35 C ATOM 1485 CZ TYR A 90 -3.424 17.925 -1.959 1.00 44.00 C ATOM 1486 OH TYR A 90 -3.444 19.021 -2.791 1.00 74.44 O ATOM 0 H TYR A 90 -2.875 13.485 3.002 1.00 0.44 H new ATOM 0 HA TYR A 90 -1.337 13.788 0.502 1.00 51.24 H new ATOM 0 HB2 TYR A 90 -3.678 13.630 0.079 1.00 22.21 H new ATOM 0 HB3 TYR A 90 -4.084 14.657 1.440 1.00 22.21 H new ATOM 0 HD1 TYR A 90 -1.521 15.253 -1.222 1.00 4.01 H new ATOM 0 HD2 TYR A 90 -5.248 16.458 0.454 1.00 30.54 H new ATOM 0 HE1 TYR A 90 -1.555 17.207 -2.708 1.00 2.54 H new ATOM 0 HE2 TYR A 90 -5.287 18.410 -1.034 1.00 34.35 H new ATOM 0 HH TYR A 90 -4.258 19.541 -2.627 1.00 74.44 H new ATOM 1496 N HIS A 91 -1.800 16.023 2.882 1.00 54.43 N ATOM 1497 CA HIS A 91 -1.280 17.265 3.443 1.00 40.23 C ATOM 1498 C HIS A 91 -0.124 16.987 4.399 1.00 61.14 C ATOM 1499 O HIS A 91 0.972 17.525 4.237 1.00 74.15 O ATOM 1500 CB HIS A 91 -2.389 18.024 4.172 1.00 1.11 C ATOM 1501 CG HIS A 91 -2.267 19.513 4.063 1.00 34.03 C ATOM 1502 ND1 HIS A 91 -2.628 20.374 5.078 1.00 23.35 N ATOM 1503 CD2 HIS A 91 -1.821 20.293 3.051 1.00 5.14 C ATOM 1504 CE1 HIS A 91 -2.409 21.619 4.695 1.00 34.12 C ATOM 1505 NE2 HIS A 91 -1.919 21.598 3.469 1.00 72.41 N ATOM 0 H HIS A 91 -2.518 15.572 3.449 1.00 54.43 H new ATOM 0 HA HIS A 91 -0.910 17.879 2.622 1.00 40.23 H new ATOM 0 HB2 HIS A 91 -3.354 17.716 3.769 1.00 1.11 H new ATOM 0 HB3 HIS A 91 -2.379 17.743 5.225 1.00 1.11 H new ATOM 0 HD2 HIS A 91 -1.456 19.953 2.093 1.00 5.14 H new ATOM 0 HE1 HIS A 91 -2.599 22.504 5.284 1.00 34.12 H new ATOM 0 HE2 HIS A 91 -1.656 22.417 2.921 1.00 72.41 H new ATOM 1513 N ASP A 92 -0.376 16.145 5.395 1.00 61.34 N ATOM 1514 CA ASP A 92 0.644 15.795 6.377 1.00 71.14 C ATOM 1515 C ASP A 92 1.841 15.132 5.704 1.00 64.54 C ATOM 1516 O ASP A 92 2.896 14.962 6.317 1.00 62.44 O ATOM 1517 CB ASP A 92 0.060 14.863 7.440 1.00 40.41 C ATOM 1518 CG ASP A 92 0.236 15.406 8.845 1.00 70.14 C ATOM 1519 OD1 ASP A 92 -0.023 16.610 9.052 1.00 65.22 O ATOM 1520 OD2 ASP A 92 0.633 14.627 9.737 1.00 70.15 O ATOM 0 H ASP A 92 -1.278 15.692 5.544 1.00 61.34 H new ATOM 0 HA ASP A 92 0.982 16.714 6.856 1.00 71.14 H new ATOM 0 HB2 ASP A 92 -1.001 14.711 7.243 1.00 40.41 H new ATOM 0 HB3 ASP A 92 0.541 13.887 7.368 1.00 40.41 H new ATOM 1525 N LEU A 93 1.671 14.758 4.440 1.00 23.53 N ATOM 1526 CA LEU A 93 2.738 14.111 3.683 1.00 10.35 C ATOM 1527 C LEU A 93 3.566 15.141 2.922 1.00 43.20 C ATOM 1528 O LEU A 93 4.581 14.808 2.310 1.00 42.04 O ATOM 1529 CB LEU A 93 2.151 13.090 2.708 1.00 61.22 C ATOM 1530 CG LEU A 93 2.252 11.624 3.130 1.00 32.41 C ATOM 1531 CD1 LEU A 93 3.632 11.070 2.811 1.00 33.30 C ATOM 1532 CD2 LEU A 93 1.945 11.473 4.613 1.00 55.41 C ATOM 0 H LEU A 93 0.805 14.892 3.918 1.00 23.53 H new ATOM 0 HA LEU A 93 3.391 13.596 4.388 1.00 10.35 H new ATOM 0 HB2 LEU A 93 1.100 13.330 2.551 1.00 61.22 H new ATOM 0 HB3 LEU A 93 2.652 13.206 1.747 1.00 61.22 H new ATOM 0 HG LEU A 93 1.514 11.053 2.566 1.00 32.41 H new ATOM 0 HD11 LEU A 93 3.685 10.026 3.118 1.00 33.30 H new ATOM 0 HD12 LEU A 93 3.814 11.142 1.739 1.00 33.30 H new ATOM 0 HD13 LEU A 93 4.388 11.645 3.347 1.00 33.30 H new ATOM 0 HD21 LEU A 93 2.022 10.423 4.895 1.00 55.41 H new ATOM 0 HD22 LEU A 93 2.658 12.058 5.194 1.00 55.41 H new ATOM 0 HD23 LEU A 93 0.935 11.830 4.814 1.00 55.41 H new ATOM 1544 N LYS A 94 3.128 16.395 2.966 1.00 61.20 N ATOM 1545 CA LYS A 94 3.830 17.476 2.284 1.00 71.53 C ATOM 1546 C LYS A 94 5.306 17.492 2.666 1.00 3.44 C ATOM 1547 O LYS A 94 6.143 18.015 1.930 1.00 24.01 O ATOM 1548 CB LYS A 94 3.188 18.823 2.624 1.00 64.40 C ATOM 1549 CG LYS A 94 3.871 19.549 3.770 1.00 32.02 C ATOM 1550 CD LYS A 94 3.105 19.381 5.072 1.00 54.24 C ATOM 1551 CE LYS A 94 3.473 18.082 5.772 1.00 4.40 C ATOM 1552 NZ LYS A 94 3.023 18.071 7.192 1.00 65.34 N ATOM 0 H LYS A 94 2.289 16.688 3.467 1.00 61.20 H new ATOM 0 HA LYS A 94 3.753 17.305 1.210 1.00 71.53 H new ATOM 0 HB2 LYS A 94 3.207 19.459 1.739 1.00 64.40 H new ATOM 0 HB3 LYS A 94 2.140 18.663 2.879 1.00 64.40 H new ATOM 0 HG2 LYS A 94 4.885 19.167 3.891 1.00 32.02 H new ATOM 0 HG3 LYS A 94 3.956 20.609 3.531 1.00 32.02 H new ATOM 0 HD2 LYS A 94 3.317 20.223 5.731 1.00 54.24 H new ATOM 0 HD3 LYS A 94 2.034 19.396 4.870 1.00 54.24 H new ATOM 0 HE2 LYS A 94 3.022 17.243 5.242 1.00 4.40 H new ATOM 0 HE3 LYS A 94 4.553 17.941 5.732 1.00 4.40 H new ATOM 0 HZ1 LYS A 94 2.993 17.091 7.539 1.00 65.34 H new ATOM 0 HZ2 LYS A 94 3.687 18.623 7.771 1.00 65.34 H new ATOM 0 HZ3 LYS A 94 2.074 18.491 7.259 1.00 65.34 H new ATOM 1566 N LYS A 95 5.620 16.916 3.822 1.00 51.41 N ATOM 1567 CA LYS A 95 6.996 16.862 4.302 1.00 53.41 C ATOM 1568 C LYS A 95 7.927 16.319 3.223 1.00 23.23 C ATOM 1569 O LYS A 95 8.829 17.017 2.760 1.00 14.34 O ATOM 1570 CB LYS A 95 7.086 15.990 5.556 1.00 61.21 C ATOM 1571 CG LYS A 95 8.444 16.039 6.234 1.00 23.42 C ATOM 1572 CD LYS A 95 8.530 17.183 7.230 1.00 54.21 C ATOM 1573 CE LYS A 95 8.972 18.474 6.558 1.00 3.24 C ATOM 1574 NZ LYS A 95 9.623 19.405 7.521 1.00 4.22 N ATOM 0 H LYS A 95 4.939 16.480 4.444 1.00 51.41 H new ATOM 0 HA LYS A 95 7.309 17.876 4.550 1.00 53.41 H new ATOM 0 HB2 LYS A 95 6.323 16.309 6.266 1.00 61.21 H new ATOM 0 HB3 LYS A 95 6.860 14.958 5.288 1.00 61.21 H new ATOM 0 HG2 LYS A 95 8.630 15.095 6.746 1.00 23.42 H new ATOM 0 HG3 LYS A 95 9.224 16.152 5.481 1.00 23.42 H new ATOM 0 HD2 LYS A 95 7.558 17.331 7.701 1.00 54.21 H new ATOM 0 HD3 LYS A 95 9.232 16.925 8.023 1.00 54.21 H new ATOM 0 HE2 LYS A 95 9.666 18.244 5.750 1.00 3.24 H new ATOM 0 HE3 LYS A 95 8.108 18.963 6.107 1.00 3.24 H new ATOM 0 HZ1 LYS A 95 9.910 20.273 7.025 1.00 4.22 H new ATOM 0 HZ2 LYS A 95 8.953 19.645 8.279 1.00 4.22 H new ATOM 0 HZ3 LYS A 95 10.462 18.948 7.933 1.00 4.22 H new ATOM 1588 N GLN A 96 7.702 15.070 2.828 1.00 42.14 N ATOM 1589 CA GLN A 96 8.522 14.435 1.803 1.00 72.43 C ATOM 1590 C GLN A 96 7.656 13.904 0.665 1.00 71.20 C ATOM 1591 O GLN A 96 8.000 12.916 0.018 1.00 25.32 O ATOM 1592 CB GLN A 96 9.342 13.295 2.410 1.00 72.12 C ATOM 1593 CG GLN A 96 10.021 13.664 3.718 1.00 5.44 C ATOM 1594 CD GLN A 96 10.766 12.499 4.339 1.00 73.40 C ATOM 1595 OE1 GLN A 96 10.158 11.594 4.913 1.00 43.03 O ATOM 1596 NE2 GLN A 96 12.089 12.513 4.227 1.00 12.50 N ATOM 0 H GLN A 96 6.960 14.478 3.202 1.00 42.14 H new ATOM 0 HA GLN A 96 9.201 15.186 1.399 1.00 72.43 H new ATOM 0 HB2 GLN A 96 8.689 12.438 2.578 1.00 72.12 H new ATOM 0 HB3 GLN A 96 10.100 12.982 1.692 1.00 72.12 H new ATOM 0 HG2 GLN A 96 10.718 14.484 3.542 1.00 5.44 H new ATOM 0 HG3 GLN A 96 9.272 14.028 4.422 1.00 5.44 H new ATOM 0 HE21 GLN A 96 12.552 13.283 3.743 1.00 12.50 H new ATOM 0 HE22 GLN A 96 12.643 11.754 4.625 1.00 12.50 H new ATOM 1605 N GLY A 97 6.529 14.567 0.426 1.00 14.53 N ATOM 1606 CA GLY A 97 5.631 14.147 -0.633 1.00 54.24 C ATOM 1607 C GLY A 97 5.586 15.136 -1.782 1.00 31.14 C ATOM 1608 O GLY A 97 5.265 16.309 -1.589 1.00 71.21 O ATOM 0 H GLY A 97 6.222 15.388 0.947 1.00 14.53 H new ATOM 0 HA2 GLY A 97 5.947 13.173 -1.008 1.00 54.24 H new ATOM 0 HA3 GLY A 97 4.628 14.022 -0.226 1.00 54.24 H new ATOM 1612 N LYS A 98 5.910 14.663 -2.980 1.00 41.12 N ATOM 1613 CA LYS A 98 5.906 15.513 -4.165 1.00 64.11 C ATOM 1614 C LYS A 98 4.704 15.205 -5.052 1.00 21.03 C ATOM 1615 O LYS A 98 4.718 14.243 -5.820 1.00 21.31 O ATOM 1616 CB LYS A 98 7.201 15.322 -4.959 1.00 11.23 C ATOM 1617 CG LYS A 98 8.347 16.190 -4.470 1.00 44.51 C ATOM 1618 CD LYS A 98 8.084 17.663 -4.736 1.00 44.15 C ATOM 1619 CE LYS A 98 8.235 18.494 -3.471 1.00 61.04 C ATOM 1620 NZ LYS A 98 7.640 19.850 -3.624 1.00 54.33 N ATOM 0 H LYS A 98 6.179 13.695 -3.157 1.00 41.12 H new ATOM 0 HA LYS A 98 5.837 16.550 -3.837 1.00 64.11 H new ATOM 0 HB2 LYS A 98 7.500 14.275 -4.904 1.00 11.23 H new ATOM 0 HB3 LYS A 98 7.010 15.544 -6.009 1.00 11.23 H new ATOM 0 HG2 LYS A 98 8.493 16.033 -3.401 1.00 44.51 H new ATOM 0 HG3 LYS A 98 9.270 15.889 -4.966 1.00 44.51 H new ATOM 0 HD2 LYS A 98 8.776 18.026 -5.496 1.00 44.15 H new ATOM 0 HD3 LYS A 98 7.078 17.787 -5.136 1.00 44.15 H new ATOM 0 HE2 LYS A 98 7.755 17.979 -2.639 1.00 61.04 H new ATOM 0 HE3 LYS A 98 9.292 18.587 -3.222 1.00 61.04 H new ATOM 0 HZ1 LYS A 98 7.763 20.385 -2.741 1.00 54.33 H new ATOM 0 HZ2 LYS A 98 8.115 20.352 -4.402 1.00 54.33 H new ATOM 0 HZ3 LYS A 98 6.626 19.762 -3.837 1.00 54.33 H new ATOM 1634 N ILE A 99 3.667 16.028 -4.941 1.00 51.00 N ATOM 1635 CA ILE A 99 2.458 15.844 -5.735 1.00 3.21 C ATOM 1636 C ILE A 99 2.363 16.890 -6.841 1.00 34.04 C ATOM 1637 O ILE A 99 2.640 18.069 -6.621 1.00 52.31 O ATOM 1638 CB ILE A 99 1.193 15.921 -4.860 1.00 40.02 C ATOM 1639 CG1 ILE A 99 -0.061 15.898 -5.736 1.00 72.12 C ATOM 1640 CG2 ILE A 99 1.221 17.174 -3.998 1.00 15.21 C ATOM 1641 CD1 ILE A 99 -1.350 15.850 -4.945 1.00 62.54 C ATOM 0 H ILE A 99 3.639 16.828 -4.309 1.00 51.00 H new ATOM 0 HA ILE A 99 2.521 14.852 -6.181 1.00 3.21 H new ATOM 0 HB ILE A 99 1.170 15.052 -4.202 1.00 40.02 H new ATOM 0 HG12 ILE A 99 -0.067 16.784 -6.371 1.00 72.12 H new ATOM 0 HG13 ILE A 99 -0.017 15.032 -6.397 1.00 72.12 H new ATOM 0 HG21 ILE A 99 0.320 17.214 -3.385 1.00 15.21 H new ATOM 0 HG22 ILE A 99 2.099 17.152 -3.352 1.00 15.21 H new ATOM 0 HG23 ILE A 99 1.264 18.055 -4.638 1.00 15.21 H new ATOM 0 HD11 ILE A 99 -2.197 15.836 -5.631 1.00 62.54 H new ATOM 0 HD12 ILE A 99 -1.366 14.950 -4.330 1.00 62.54 H new ATOM 0 HD13 ILE A 99 -1.417 16.729 -4.304 1.00 62.54 H new ATOM 1653 N LYS A 100 1.966 16.450 -8.030 1.00 44.53 N ATOM 1654 CA LYS A 100 1.830 17.348 -9.171 1.00 61.25 C ATOM 1655 C LYS A 100 0.436 17.245 -9.781 1.00 73.42 C ATOM 1656 O LYS A 100 -0.134 16.157 -9.870 1.00 72.02 O ATOM 1657 CB LYS A 100 2.887 17.024 -10.230 1.00 75.22 C ATOM 1658 CG LYS A 100 4.310 17.059 -9.700 1.00 75.13 C ATOM 1659 CD LYS A 100 4.894 18.460 -9.764 1.00 60.04 C ATOM 1660 CE LYS A 100 4.731 19.193 -8.442 1.00 22.14 C ATOM 1661 NZ LYS A 100 5.733 20.283 -8.285 1.00 2.34 N ATOM 0 H LYS A 100 1.733 15.477 -8.229 1.00 44.53 H new ATOM 0 HA LYS A 100 1.979 18.369 -8.818 1.00 61.25 H new ATOM 0 HB2 LYS A 100 2.686 16.035 -10.641 1.00 75.22 H new ATOM 0 HB3 LYS A 100 2.796 17.735 -11.051 1.00 75.22 H new ATOM 0 HG2 LYS A 100 4.324 16.705 -8.669 1.00 75.13 H new ATOM 0 HG3 LYS A 100 4.932 16.378 -10.280 1.00 75.13 H new ATOM 0 HD2 LYS A 100 5.952 18.403 -10.021 1.00 60.04 H new ATOM 0 HD3 LYS A 100 4.403 19.024 -10.557 1.00 60.04 H new ATOM 0 HE2 LYS A 100 3.726 19.612 -8.380 1.00 22.14 H new ATOM 0 HE3 LYS A 100 4.832 18.485 -7.619 1.00 22.14 H new ATOM 0 HZ1 LYS A 100 5.589 20.758 -7.371 1.00 2.34 H new ATOM 0 HZ2 LYS A 100 6.692 19.881 -8.318 1.00 2.34 H new ATOM 0 HZ3 LYS A 100 5.620 20.972 -9.056 1.00 2.34 H new ATOM 1675 N ASP A 101 -0.107 18.382 -10.201 1.00 11.24 N ATOM 1676 CA ASP A 101 -1.434 18.419 -10.805 1.00 1.23 C ATOM 1677 C ASP A 101 -1.338 18.595 -12.317 1.00 22.20 C ATOM 1678 O ASP A 101 -1.302 19.718 -12.820 1.00 62.33 O ATOM 1679 CB ASP A 101 -2.262 19.553 -10.199 1.00 0.43 C ATOM 1680 CG ASP A 101 -3.647 19.649 -10.808 1.00 62.33 C ATOM 1681 OD1 ASP A 101 -4.223 18.592 -11.139 1.00 30.50 O ATOM 1682 OD2 ASP A 101 -4.154 20.781 -10.955 1.00 71.44 O ATOM 0 H ASP A 101 0.351 19.291 -10.134 1.00 11.24 H new ATOM 0 HA ASP A 101 -1.927 17.469 -10.598 1.00 1.23 H new ATOM 0 HB2 ASP A 101 -2.351 19.399 -9.124 1.00 0.43 H new ATOM 0 HB3 ASP A 101 -1.739 20.498 -10.343 1.00 0.43 H new ATOM 1687 N ARG A 102 -1.295 17.478 -13.036 1.00 35.33 N ATOM 1688 CA ARG A 102 -1.201 17.508 -14.490 1.00 50.22 C ATOM 1689 C ARG A 102 -2.553 17.837 -15.116 1.00 52.21 C ATOM 1690 O ARG A 102 -3.607 17.672 -14.500 1.00 45.23 O ATOM 1691 CB ARG A 102 -0.696 16.164 -15.018 1.00 73.01 C ATOM 1692 CG ARG A 102 0.819 16.067 -15.088 1.00 11.21 C ATOM 1693 CD ARG A 102 1.446 16.145 -13.705 1.00 4.11 C ATOM 1694 NE ARG A 102 1.686 17.525 -13.289 1.00 72.45 N ATOM 1695 CZ ARG A 102 2.609 18.307 -13.837 1.00 3.24 C ATOM 1696 NH1 ARG A 102 3.376 17.849 -14.816 1.00 72.53 N ATOM 1697 NH2 ARG A 102 2.767 19.552 -13.404 1.00 70.40 N ATOM 0 H ARG A 102 -1.324 16.541 -12.635 1.00 35.33 H new ATOM 0 HA ARG A 102 -0.492 18.289 -14.767 1.00 50.22 H new ATOM 0 HB2 ARG A 102 -1.073 15.367 -14.378 1.00 73.01 H new ATOM 0 HB3 ARG A 102 -1.109 15.996 -16.013 1.00 73.01 H new ATOM 0 HG2 ARG A 102 1.103 15.129 -15.565 1.00 11.21 H new ATOM 0 HG3 ARG A 102 1.208 16.872 -15.711 1.00 11.21 H new ATOM 0 HD2 ARG A 102 0.792 15.657 -12.982 1.00 4.11 H new ATOM 0 HD3 ARG A 102 2.388 15.597 -13.703 1.00 4.11 H new ATOM 0 HE ARG A 102 1.114 17.909 -12.537 1.00 72.45 H new ATOM 0 HH11 ARG A 102 3.258 16.893 -15.151 1.00 72.53 H new ATOM 0 HH12 ARG A 102 4.084 18.453 -15.234 1.00 72.53 H new ATOM 0 HH21 ARG A 102 2.179 19.908 -12.650 1.00 70.40 H new ATOM 0 HH22 ARG A 102 3.476 20.152 -13.825 1.00 70.40 H new ATOM 1711 N PRO A 103 -2.525 18.315 -16.369 1.00 71.42 N ATOM 1712 CA PRO A 103 -3.740 18.677 -17.106 1.00 23.12 C ATOM 1713 C PRO A 103 -4.573 17.458 -17.484 1.00 74.55 C ATOM 1714 O PRO A 103 -4.045 16.459 -17.974 1.00 41.31 O ATOM 1715 CB PRO A 103 -3.201 19.367 -18.361 1.00 64.13 C ATOM 1716 CG PRO A 103 -1.834 18.803 -18.546 1.00 51.32 C ATOM 1717 CD PRO A 103 -1.305 18.537 -17.164 1.00 35.11 C ATOM 0 HA PRO A 103 -4.406 19.303 -16.512 1.00 23.12 H new ATOM 0 HB2 PRO A 103 -3.833 19.165 -19.226 1.00 64.13 H new ATOM 0 HB3 PRO A 103 -3.169 20.449 -18.235 1.00 64.13 H new ATOM 0 HG2 PRO A 103 -1.867 17.886 -19.134 1.00 51.32 H new ATOM 0 HG3 PRO A 103 -1.192 19.503 -19.081 1.00 51.32 H new ATOM 0 HD2 PRO A 103 -0.649 17.667 -17.145 1.00 35.11 H new ATOM 0 HD3 PRO A 103 -0.727 19.380 -16.786 1.00 35.11 H new ATOM 1725 N VAL A 104 -5.880 17.545 -17.255 1.00 42.11 N ATOM 1726 CA VAL A 104 -6.787 16.449 -17.574 1.00 11.31 C ATOM 1727 C VAL A 104 -6.942 16.285 -19.082 1.00 22.24 C ATOM 1728 O VAL A 104 -7.075 17.265 -19.814 1.00 51.32 O ATOM 1729 CB VAL A 104 -8.177 16.671 -16.947 1.00 63.25 C ATOM 1730 CG1 VAL A 104 -8.880 17.846 -17.609 1.00 62.05 C ATOM 1731 CG2 VAL A 104 -9.017 15.407 -17.055 1.00 3.11 C ATOM 0 H VAL A 104 -6.334 18.364 -16.850 1.00 42.11 H new ATOM 0 HA VAL A 104 -6.348 15.543 -17.156 1.00 11.31 H new ATOM 0 HB VAL A 104 -8.047 16.905 -15.890 1.00 63.25 H new ATOM 0 HG11 VAL A 104 -9.860 17.987 -17.153 1.00 62.05 H new ATOM 0 HG12 VAL A 104 -8.284 18.749 -17.476 1.00 62.05 H new ATOM 0 HG13 VAL A 104 -9.001 17.645 -18.673 1.00 62.05 H new ATOM 0 HG21 VAL A 104 -9.995 15.581 -16.607 1.00 3.11 H new ATOM 0 HG22 VAL A 104 -9.140 15.141 -18.105 1.00 3.11 H new ATOM 0 HG23 VAL A 104 -8.518 14.592 -16.530 1.00 3.11 H new ATOM 1741 N LYS A 105 -6.924 15.038 -19.540 1.00 63.21 N ATOM 1742 CA LYS A 105 -7.064 14.742 -20.961 1.00 43.40 C ATOM 1743 C LYS A 105 -8.534 14.632 -21.351 1.00 71.34 C ATOM 1744 O LYS A 105 -9.341 14.068 -20.612 1.00 45.43 O ATOM 1745 CB LYS A 105 -6.334 13.442 -21.307 1.00 40.40 C ATOM 1746 CG LYS A 105 -5.366 13.579 -22.469 1.00 41.24 C ATOM 1747 CD LYS A 105 -4.223 14.524 -22.135 1.00 73.43 C ATOM 1748 CE LYS A 105 -3.362 14.810 -23.356 1.00 13.41 C ATOM 1749 NZ LYS A 105 -2.198 15.677 -23.022 1.00 60.22 N ATOM 0 H LYS A 105 -6.814 14.215 -18.947 1.00 63.21 H new ATOM 0 HA LYS A 105 -6.618 15.562 -21.523 1.00 43.40 H new ATOM 0 HB2 LYS A 105 -5.788 13.097 -20.429 1.00 40.40 H new ATOM 0 HB3 LYS A 105 -7.070 12.675 -21.547 1.00 40.40 H new ATOM 0 HG2 LYS A 105 -4.965 12.599 -22.727 1.00 41.24 H new ATOM 0 HG3 LYS A 105 -5.899 13.947 -23.346 1.00 41.24 H new ATOM 0 HD2 LYS A 105 -4.625 15.459 -21.745 1.00 73.43 H new ATOM 0 HD3 LYS A 105 -3.607 14.088 -21.348 1.00 73.43 H new ATOM 0 HE2 LYS A 105 -3.006 13.870 -23.778 1.00 13.41 H new ATOM 0 HE3 LYS A 105 -3.968 15.294 -24.122 1.00 13.41 H new ATOM 0 HZ1 LYS A 105 -1.636 15.849 -23.880 1.00 60.22 H new ATOM 0 HZ2 LYS A 105 -2.538 16.584 -22.643 1.00 60.22 H new ATOM 0 HZ3 LYS A 105 -1.606 15.204 -22.309 1.00 60.22 H new ATOM 1763 N GLU A 106 -8.874 15.172 -22.518 1.00 34.34 N ATOM 1764 CA GLU A 106 -10.248 15.132 -23.005 1.00 51.01 C ATOM 1765 C GLU A 106 -10.595 13.747 -23.543 1.00 63.23 C ATOM 1766 O GLU A 106 -9.791 13.116 -24.230 1.00 43.20 O ATOM 1767 CB GLU A 106 -10.455 16.182 -24.098 1.00 54.52 C ATOM 1768 CG GLU A 106 -9.502 16.035 -25.272 1.00 55.15 C ATOM 1769 CD GLU A 106 -8.397 17.073 -25.260 1.00 62.34 C ATOM 1770 OE1 GLU A 106 -8.714 18.275 -25.146 1.00 0.33 O ATOM 1771 OE2 GLU A 106 -7.215 16.683 -25.366 1.00 33.11 O ATOM 0 H GLU A 106 -8.218 15.641 -23.142 1.00 34.34 H new ATOM 0 HA GLU A 106 -10.910 15.353 -22.168 1.00 51.01 H new ATOM 0 HB2 GLU A 106 -11.480 16.117 -24.463 1.00 54.52 H new ATOM 0 HB3 GLU A 106 -10.333 17.175 -23.664 1.00 54.52 H new ATOM 0 HG2 GLU A 106 -9.060 15.039 -25.254 1.00 55.15 H new ATOM 0 HG3 GLU A 106 -10.063 16.118 -26.203 1.00 55.15 H new ATOM 1778 N VAL A 107 -11.798 13.279 -23.226 1.00 24.14 N ATOM 1779 CA VAL A 107 -12.252 11.969 -23.677 1.00 11.01 C ATOM 1780 C VAL A 107 -13.345 12.100 -24.731 1.00 72.14 C ATOM 1781 O VAL A 107 -14.219 12.962 -24.632 1.00 0.01 O ATOM 1782 CB VAL A 107 -12.784 11.125 -22.504 1.00 32.33 C ATOM 1783 CG1 VAL A 107 -13.776 10.084 -23.001 1.00 52.40 C ATOM 1784 CG2 VAL A 107 -11.634 10.464 -21.759 1.00 32.31 C ATOM 0 H VAL A 107 -12.476 13.788 -22.658 1.00 24.14 H new ATOM 0 HA VAL A 107 -11.388 11.467 -24.113 1.00 11.01 H new ATOM 0 HB VAL A 107 -13.304 11.786 -21.811 1.00 32.33 H new ATOM 0 HG11 VAL A 107 -14.141 9.497 -22.158 1.00 52.40 H new ATOM 0 HG12 VAL A 107 -14.615 10.583 -23.486 1.00 52.40 H new ATOM 0 HG13 VAL A 107 -13.284 9.425 -23.716 1.00 52.40 H new ATOM 0 HG21 VAL A 107 -12.028 9.872 -20.933 1.00 32.31 H new ATOM 0 HG22 VAL A 107 -11.084 9.815 -22.441 1.00 32.31 H new ATOM 0 HG23 VAL A 107 -10.965 11.231 -21.368 1.00 32.31 H new ATOM 1794 N HIS A 108 -13.291 11.238 -25.742 1.00 51.21 N ATOM 1795 CA HIS A 108 -14.278 11.256 -26.816 1.00 40.40 C ATOM 1796 C HIS A 108 -15.011 9.921 -26.903 1.00 42.11 C ATOM 1797 O HIS A 108 -14.698 8.982 -26.172 1.00 5.41 O ATOM 1798 CB HIS A 108 -13.603 11.569 -28.152 1.00 14.31 C ATOM 1799 CG HIS A 108 -13.427 13.035 -28.405 1.00 74.13 C ATOM 1800 ND1 HIS A 108 -14.419 13.964 -28.169 1.00 25.14 N ATOM 1801 CD2 HIS A 108 -12.366 13.731 -28.876 1.00 72.21 C ATOM 1802 CE1 HIS A 108 -13.975 15.168 -28.484 1.00 72.44 C ATOM 1803 NE2 HIS A 108 -12.732 15.054 -28.916 1.00 70.20 N ATOM 0 H HIS A 108 -12.574 10.519 -25.840 1.00 51.21 H new ATOM 0 HA HIS A 108 -15.006 12.036 -26.594 1.00 40.40 H new ATOM 0 HB2 HIS A 108 -12.627 11.084 -28.179 1.00 14.31 H new ATOM 0 HB3 HIS A 108 -14.196 11.138 -28.959 1.00 14.31 H new ATOM 0 HD2 HIS A 108 -11.410 13.322 -29.166 1.00 72.21 H new ATOM 0 HE1 HIS A 108 -14.533 16.089 -28.402 1.00 72.44 H new ATOM 0 HE2 HIS A 108 -12.140 15.824 -29.229 1.00 70.20 H new ATOM 1811 N GLU A 109 -15.988 9.845 -27.801 1.00 42.15 N ATOM 1812 CA GLU A 109 -16.766 8.625 -27.982 1.00 25.12 C ATOM 1813 C GLU A 109 -15.999 7.611 -28.826 1.00 22.21 C ATOM 1814 O GLU A 109 -15.636 7.888 -29.969 1.00 22.35 O ATOM 1815 CB GLU A 109 -18.109 8.943 -28.642 1.00 62.30 C ATOM 1816 CG GLU A 109 -18.748 10.224 -28.135 1.00 11.50 C ATOM 1817 CD GLU A 109 -18.630 11.367 -29.125 1.00 73.44 C ATOM 1818 OE1 GLU A 109 -19.282 11.300 -30.188 1.00 50.54 O ATOM 1819 OE2 GLU A 109 -17.886 12.327 -28.837 1.00 1.03 O ATOM 0 H GLU A 109 -16.260 10.613 -28.414 1.00 42.15 H new ATOM 0 HA GLU A 109 -16.947 8.191 -26.999 1.00 25.12 H new ATOM 0 HB2 GLU A 109 -17.965 9.021 -29.720 1.00 62.30 H new ATOM 0 HB3 GLU A 109 -18.794 8.113 -28.471 1.00 62.30 H new ATOM 0 HG2 GLU A 109 -19.801 10.040 -27.922 1.00 11.50 H new ATOM 0 HG3 GLU A 109 -18.278 10.513 -27.195 1.00 11.50 H new ATOM 1826 N GLU A 110 -15.756 6.436 -28.253 1.00 72.23 N ATOM 1827 CA GLU A 110 -15.031 5.381 -28.952 1.00 55.25 C ATOM 1828 C GLU A 110 -14.740 4.210 -28.019 1.00 33.13 C ATOM 1829 O GLU A 110 -15.278 4.134 -26.914 1.00 13.22 O ATOM 1830 CB GLU A 110 -13.723 5.926 -29.528 1.00 3.40 C ATOM 1831 CG GLU A 110 -13.603 5.758 -31.033 1.00 62.23 C ATOM 1832 CD GLU A 110 -12.885 6.918 -31.695 1.00 10.11 C ATOM 1833 OE1 GLU A 110 -12.071 7.578 -31.016 1.00 20.11 O ATOM 1834 OE2 GLU A 110 -13.138 7.166 -32.893 1.00 22.13 O ATOM 0 H GLU A 110 -16.050 6.191 -27.308 1.00 72.23 H new ATOM 0 HA GLU A 110 -15.659 5.024 -29.769 1.00 55.25 H new ATOM 0 HB2 GLU A 110 -13.641 6.985 -29.282 1.00 3.40 H new ATOM 0 HB3 GLU A 110 -12.886 5.421 -29.047 1.00 3.40 H new ATOM 0 HG2 GLU A 110 -13.068 4.833 -31.250 1.00 62.23 H new ATOM 0 HG3 GLU A 110 -14.599 5.659 -31.464 1.00 62.23 H new ATOM 1841 N TYR A 111 -13.886 3.299 -28.471 1.00 73.31 N ATOM 1842 CA TYR A 111 -13.525 2.129 -27.679 1.00 14.35 C ATOM 1843 C TYR A 111 -12.013 2.036 -27.503 1.00 22.10 C ATOM 1844 O TYR A 111 -11.333 1.330 -28.247 1.00 65.35 O ATOM 1845 CB TYR A 111 -14.053 0.856 -28.341 1.00 63.51 C ATOM 1846 CG TYR A 111 -13.590 -0.415 -27.664 1.00 72.15 C ATOM 1847 CD1 TYR A 111 -13.669 -0.559 -26.285 1.00 15.24 C ATOM 1848 CD2 TYR A 111 -13.073 -1.471 -28.404 1.00 73.33 C ATOM 1849 CE1 TYR A 111 -13.248 -1.717 -25.662 1.00 25.52 C ATOM 1850 CE2 TYR A 111 -12.650 -2.634 -27.790 1.00 74.12 C ATOM 1851 CZ TYR A 111 -12.739 -2.752 -26.419 1.00 33.42 C ATOM 1852 OH TYR A 111 -12.318 -3.909 -25.803 1.00 43.41 O ATOM 0 H TYR A 111 -13.430 3.348 -29.382 1.00 73.31 H new ATOM 0 HA TYR A 111 -13.981 2.233 -26.694 1.00 14.35 H new ATOM 0 HB2 TYR A 111 -15.143 0.882 -28.341 1.00 63.51 H new ATOM 0 HB3 TYR A 111 -13.734 0.839 -29.383 1.00 63.51 H new ATOM 0 HD1 TYR A 111 -14.067 0.249 -25.689 1.00 15.24 H new ATOM 0 HD2 TYR A 111 -13.001 -1.381 -29.478 1.00 73.33 H new ATOM 0 HE1 TYR A 111 -13.317 -1.812 -24.588 1.00 25.52 H new ATOM 0 HE2 TYR A 111 -12.252 -3.446 -28.380 1.00 74.12 H new ATOM 0 HH TYR A 111 -11.988 -4.538 -26.478 1.00 43.41 H new ATOM 1862 N ASP A 112 -11.494 2.753 -26.513 1.00 5.13 N ATOM 1863 CA ASP A 112 -10.062 2.751 -26.236 1.00 44.13 C ATOM 1864 C ASP A 112 -9.790 2.400 -24.777 1.00 34.22 C ATOM 1865 O ASP A 112 -9.036 1.472 -24.480 1.00 41.51 O ATOM 1866 CB ASP A 112 -9.455 4.116 -26.567 1.00 21.43 C ATOM 1867 CG ASP A 112 -7.961 4.041 -26.812 1.00 23.21 C ATOM 1868 OD1 ASP A 112 -7.475 2.954 -27.189 1.00 63.23 O ATOM 1869 OD2 ASP A 112 -7.277 5.069 -26.627 1.00 53.32 O ATOM 0 H ASP A 112 -12.043 3.343 -25.888 1.00 5.13 H new ATOM 0 HA ASP A 112 -9.597 1.992 -26.865 1.00 44.13 H new ATOM 0 HB2 ASP A 112 -9.945 4.524 -27.451 1.00 21.43 H new ATOM 0 HB3 ASP A 112 -9.652 4.806 -25.747 1.00 21.43 H new ATOM 1874 N LEU A 113 -10.409 3.147 -23.869 1.00 71.22 N ATOM 1875 CA LEU A 113 -10.234 2.915 -22.439 1.00 40.45 C ATOM 1876 C LEU A 113 -10.640 1.494 -22.064 1.00 62.33 C ATOM 1877 O LEU A 113 -10.958 0.680 -22.931 1.00 34.41 O ATOM 1878 CB LEU A 113 -11.058 3.922 -21.635 1.00 40.31 C ATOM 1879 CG LEU A 113 -11.019 5.369 -22.129 1.00 62.23 C ATOM 1880 CD1 LEU A 113 -11.785 6.278 -21.181 1.00 23.13 C ATOM 1881 CD2 LEU A 113 -9.580 5.842 -22.280 1.00 14.23 C ATOM 0 H LEU A 113 -11.036 3.918 -24.097 1.00 71.22 H new ATOM 0 HA LEU A 113 -9.178 3.046 -22.201 1.00 40.45 H new ATOM 0 HB2 LEU A 113 -12.096 3.589 -21.629 1.00 40.31 H new ATOM 0 HB3 LEU A 113 -10.711 3.903 -20.602 1.00 40.31 H new ATOM 0 HG LEU A 113 -11.499 5.412 -23.107 1.00 62.23 H new ATOM 0 HD11 LEU A 113 -11.746 7.303 -21.549 1.00 23.13 H new ATOM 0 HD12 LEU A 113 -12.824 5.952 -21.124 1.00 23.13 H new ATOM 0 HD13 LEU A 113 -11.335 6.231 -20.189 1.00 23.13 H new ATOM 0 HD21 LEU A 113 -9.571 6.873 -22.632 1.00 14.23 H new ATOM 0 HD22 LEU A 113 -9.075 5.783 -21.316 1.00 14.23 H new ATOM 0 HD23 LEU A 113 -9.062 5.208 -23.000 1.00 14.23 H new ATOM 1893 N TRP A 114 -10.628 1.203 -20.768 1.00 43.45 N ATOM 1894 CA TRP A 114 -10.997 -0.120 -20.278 1.00 42.14 C ATOM 1895 C TRP A 114 -12.445 -0.445 -20.628 1.00 23.40 C ATOM 1896 O TRP A 114 -12.760 -1.568 -21.021 1.00 24.23 O ATOM 1897 CB TRP A 114 -10.794 -0.200 -18.764 1.00 72.45 C ATOM 1898 CG TRP A 114 -9.389 -0.542 -18.371 1.00 31.44 C ATOM 1899 CD1 TRP A 114 -8.595 0.139 -17.494 1.00 3.53 C ATOM 1900 CD2 TRP A 114 -8.612 -1.649 -18.842 1.00 34.24 C ATOM 1901 NE1 TRP A 114 -7.371 -0.477 -17.391 1.00 42.21 N ATOM 1902 CE2 TRP A 114 -7.357 -1.577 -18.207 1.00 43.33 C ATOM 1903 CE3 TRP A 114 -8.856 -2.695 -19.735 1.00 60.34 C ATOM 1904 CZ2 TRP A 114 -6.350 -2.510 -18.441 1.00 51.10 C ATOM 1905 CZ3 TRP A 114 -7.856 -3.620 -19.967 1.00 22.45 C ATOM 1906 CH2 TRP A 114 -6.616 -3.524 -19.321 1.00 41.51 C ATOM 0 H TRP A 114 -10.367 1.865 -20.038 1.00 43.45 H new ATOM 0 HA TRP A 114 -10.353 -0.853 -20.763 1.00 42.14 H new ATOM 0 HB2 TRP A 114 -11.066 0.756 -18.317 1.00 72.45 H new ATOM 0 HB3 TRP A 114 -11.471 -0.949 -18.353 1.00 72.45 H new ATOM 0 HD1 TRP A 114 -8.886 1.031 -16.959 1.00 3.53 H new ATOM 0 HE1 TRP A 114 -6.598 -0.166 -16.802 1.00 42.21 H new ATOM 0 HE3 TRP A 114 -9.809 -2.779 -20.235 1.00 60.34 H new ATOM 0 HZ2 TRP A 114 -5.393 -2.436 -17.946 1.00 51.10 H new ATOM 0 HZ3 TRP A 114 -8.033 -4.431 -20.658 1.00 22.45 H new ATOM 0 HH2 TRP A 114 -5.856 -4.264 -19.521 1.00 41.51 H new ATOM 1917 N GLU A 115 -13.321 0.544 -20.483 1.00 31.44 N ATOM 1918 CA GLU A 115 -14.736 0.360 -20.783 1.00 71.11 C ATOM 1919 C GLU A 115 -15.305 -0.831 -20.017 1.00 64.45 C ATOM 1920 O GLU A 115 -15.700 -1.834 -20.613 1.00 0.03 O ATOM 1921 CB GLU A 115 -14.939 0.158 -22.286 1.00 50.02 C ATOM 1922 CG GLU A 115 -15.018 1.458 -23.070 1.00 23.53 C ATOM 1923 CD GLU A 115 -16.085 1.426 -24.147 1.00 23.34 C ATOM 1924 OE1 GLU A 115 -16.498 0.315 -24.541 1.00 45.31 O ATOM 1925 OE2 GLU A 115 -16.507 2.512 -24.595 1.00 11.43 O ATOM 0 H GLU A 115 -13.076 1.480 -20.160 1.00 31.44 H new ATOM 0 HA GLU A 115 -15.267 1.259 -20.469 1.00 71.11 H new ATOM 0 HB2 GLU A 115 -14.118 -0.443 -22.677 1.00 50.02 H new ATOM 0 HB3 GLU A 115 -15.855 -0.410 -22.447 1.00 50.02 H new ATOM 0 HG2 GLU A 115 -15.224 2.280 -22.384 1.00 23.53 H new ATOM 0 HG3 GLU A 115 -14.050 1.661 -23.529 1.00 23.53 H new ATOM 1932 N ASP A 116 -15.342 -0.714 -18.695 1.00 3.22 N ATOM 1933 CA ASP A 116 -15.862 -1.780 -17.847 1.00 1.14 C ATOM 1934 C ASP A 116 -15.807 -1.380 -16.376 1.00 11.44 C ATOM 1935 O ASP A 116 -16.828 -1.286 -15.694 1.00 51.30 O ATOM 1936 CB ASP A 116 -15.069 -3.069 -18.067 1.00 42.01 C ATOM 1937 CG ASP A 116 -15.877 -4.129 -18.789 1.00 23.51 C ATOM 1938 OD1 ASP A 116 -16.816 -4.678 -18.176 1.00 71.33 O ATOM 1939 OD2 ASP A 116 -15.569 -4.411 -19.966 1.00 71.22 O ATOM 0 H ASP A 116 -15.018 0.109 -18.187 1.00 3.22 H new ATOM 0 HA ASP A 116 -16.903 -1.952 -18.120 1.00 1.14 H new ATOM 0 HB2 ASP A 116 -14.171 -2.846 -18.643 1.00 42.01 H new ATOM 0 HB3 ASP A 116 -14.741 -3.460 -17.104 1.00 42.01 H new ATOM 1944 N PRO A 117 -14.587 -1.139 -15.873 1.00 12.25 N ATOM 1945 CA PRO A 117 -14.370 -0.745 -14.477 1.00 61.42 C ATOM 1946 C PRO A 117 -14.875 0.664 -14.187 1.00 32.32 C ATOM 1947 O PRO A 117 -15.628 0.880 -13.236 1.00 64.43 O ATOM 1948 CB PRO A 117 -12.848 -0.810 -14.323 1.00 73.23 C ATOM 1949 CG PRO A 117 -12.319 -0.608 -15.701 1.00 52.52 C ATOM 1950 CD PRO A 117 -13.326 -1.231 -16.627 1.00 73.53 C ATOM 0 HA PRO A 117 -14.911 -1.389 -13.783 1.00 61.42 H new ATOM 0 HB2 PRO A 117 -12.486 -0.039 -13.643 1.00 73.23 H new ATOM 0 HB3 PRO A 117 -12.532 -1.770 -13.914 1.00 73.23 H new ATOM 0 HG2 PRO A 117 -12.192 0.453 -15.919 1.00 52.52 H new ATOM 0 HG3 PRO A 117 -11.341 -1.076 -15.816 1.00 52.52 H new ATOM 0 HD2 PRO A 117 -13.385 -0.696 -17.575 1.00 73.53 H new ATOM 0 HD3 PRO A 117 -13.072 -2.265 -16.860 1.00 73.53 H new ATOM 1958 N ILE A 118 -14.457 1.619 -15.011 1.00 34.41 N ATOM 1959 CA ILE A 118 -14.870 3.007 -14.842 1.00 64.55 C ATOM 1960 C ILE A 118 -16.277 3.232 -15.384 1.00 71.42 C ATOM 1961 O ILE A 118 -16.905 4.253 -15.105 1.00 4.23 O ATOM 1962 CB ILE A 118 -13.899 3.972 -15.549 1.00 33.41 C ATOM 1963 CG1 ILE A 118 -14.211 4.038 -17.045 1.00 52.34 C ATOM 1964 CG2 ILE A 118 -12.460 3.536 -15.321 1.00 65.03 C ATOM 1965 CD1 ILE A 118 -13.970 2.733 -17.772 1.00 11.44 C ATOM 0 H ILE A 118 -13.833 1.457 -15.802 1.00 34.41 H new ATOM 0 HA ILE A 118 -14.859 3.212 -13.771 1.00 64.55 H new ATOM 0 HB ILE A 118 -14.027 4.968 -15.126 1.00 33.41 H new ATOM 0 HG12 ILE A 118 -15.252 4.331 -17.178 1.00 52.34 H new ATOM 0 HG13 ILE A 118 -13.600 4.817 -17.501 1.00 52.34 H new ATOM 0 HG21 ILE A 118 -11.786 4.227 -15.827 1.00 65.03 H new ATOM 0 HG22 ILE A 118 -12.245 3.536 -14.252 1.00 65.03 H new ATOM 0 HG23 ILE A 118 -12.316 2.532 -15.720 1.00 65.03 H new ATOM 0 HD11 ILE A 118 -14.212 2.855 -18.828 1.00 11.44 H new ATOM 0 HD12 ILE A 118 -12.923 2.448 -17.670 1.00 11.44 H new ATOM 0 HD13 ILE A 118 -14.601 1.955 -17.342 1.00 11.44 H new ATOM 1977 N TRP A 119 -16.767 2.271 -16.159 1.00 34.43 N ATOM 1978 CA TRP A 119 -18.103 2.363 -16.738 1.00 45.15 C ATOM 1979 C TRP A 119 -19.154 1.828 -15.773 1.00 23.15 C ATOM 1980 O TRP A 119 -20.286 2.310 -15.745 1.00 23.10 O ATOM 1981 CB TRP A 119 -18.163 1.590 -18.057 1.00 0.10 C ATOM 1982 CG TRP A 119 -19.396 1.878 -18.858 1.00 54.03 C ATOM 1983 CD1 TRP A 119 -19.699 3.040 -19.508 1.00 44.35 C ATOM 1984 CD2 TRP A 119 -20.493 0.988 -19.092 1.00 54.22 C ATOM 1985 NE1 TRP A 119 -20.918 2.927 -20.132 1.00 64.35 N ATOM 1986 CE2 TRP A 119 -21.425 1.677 -19.893 1.00 51.11 C ATOM 1987 CE3 TRP A 119 -20.778 -0.324 -18.705 1.00 14.11 C ATOM 1988 CZ2 TRP A 119 -22.620 1.097 -20.311 1.00 21.01 C ATOM 1989 CZ3 TRP A 119 -21.965 -0.898 -19.120 1.00 63.11 C ATOM 1990 CH2 TRP A 119 -22.873 -0.189 -19.917 1.00 12.21 C ATOM 0 H TRP A 119 -16.260 1.420 -16.401 1.00 34.43 H new ATOM 0 HA TRP A 119 -18.317 3.414 -16.930 1.00 45.15 H new ATOM 0 HB2 TRP A 119 -17.285 1.836 -18.654 1.00 0.10 H new ATOM 0 HB3 TRP A 119 -18.117 0.522 -17.846 1.00 0.10 H new ATOM 0 HD1 TRP A 119 -19.072 3.919 -19.529 1.00 44.35 H new ATOM 0 HE1 TRP A 119 -21.372 3.655 -20.683 1.00 64.35 H new ATOM 0 HE3 TRP A 119 -20.083 -0.880 -18.093 1.00 14.11 H new ATOM 0 HZ2 TRP A 119 -23.322 1.642 -20.924 1.00 21.01 H new ATOM 0 HZ3 TRP A 119 -22.196 -1.911 -18.825 1.00 63.11 H new ATOM 0 HH2 TRP A 119 -23.791 -0.667 -20.227 1.00 12.21 H new ATOM 2001 N GLN A 120 -18.772 0.830 -14.982 1.00 64.13 N ATOM 2002 CA GLN A 120 -19.683 0.230 -14.015 1.00 72.13 C ATOM 2003 C GLN A 120 -19.779 1.084 -12.755 1.00 60.51 C ATOM 2004 O GLN A 120 -20.820 1.677 -12.473 1.00 33.33 O ATOM 2005 CB GLN A 120 -19.220 -1.183 -13.655 1.00 13.23 C ATOM 2006 CG GLN A 120 -20.316 -2.047 -13.051 1.00 51.43 C ATOM 2007 CD GLN A 120 -20.544 -1.757 -11.581 1.00 20.42 C ATOM 2008 OE1 GLN A 120 -19.595 -1.576 -10.818 1.00 1.14 O ATOM 2009 NE2 GLN A 120 -21.807 -1.713 -11.175 1.00 15.32 N ATOM 0 H GLN A 120 -17.838 0.420 -14.992 1.00 64.13 H new ATOM 0 HA GLN A 120 -20.672 0.175 -14.470 1.00 72.13 H new ATOM 0 HB2 GLN A 120 -18.837 -1.670 -14.552 1.00 13.23 H new ATOM 0 HB3 GLN A 120 -18.391 -1.116 -12.950 1.00 13.23 H new ATOM 0 HG2 GLN A 120 -21.245 -1.884 -13.598 1.00 51.43 H new ATOM 0 HG3 GLN A 120 -20.054 -3.098 -13.174 1.00 51.43 H new ATOM 0 HE21 GLN A 120 -22.563 -1.869 -11.842 1.00 15.32 H new ATOM 0 HE22 GLN A 120 -22.022 -1.523 -10.196 1.00 15.32 H new ATOM 2018 N TYR A 121 -18.687 1.141 -12.001 1.00 61.31 N ATOM 2019 CA TYR A 121 -18.649 1.920 -10.769 1.00 63.41 C ATOM 2020 C TYR A 121 -17.266 1.857 -10.127 1.00 60.24 C ATOM 2021 O TYR A 121 -16.345 1.245 -10.670 1.00 32.12 O ATOM 2022 CB TYR A 121 -19.703 1.409 -9.786 1.00 12.55 C ATOM 2023 CG TYR A 121 -20.418 2.512 -9.038 1.00 54.55 C ATOM 2024 CD1 TYR A 121 -21.098 3.514 -9.721 1.00 71.41 C ATOM 2025 CD2 TYR A 121 -20.415 2.553 -7.650 1.00 31.25 C ATOM 2026 CE1 TYR A 121 -21.752 4.524 -9.043 1.00 31.54 C ATOM 2027 CE2 TYR A 121 -21.068 3.558 -6.963 1.00 3.24 C ATOM 2028 CZ TYR A 121 -21.734 4.541 -7.664 1.00 13.45 C ATOM 2029 OH TYR A 121 -22.386 5.545 -6.984 1.00 2.01 O ATOM 0 H TYR A 121 -17.816 0.657 -12.221 1.00 61.31 H new ATOM 0 HA TYR A 121 -18.867 2.958 -11.019 1.00 63.41 H new ATOM 0 HB2 TYR A 121 -20.437 0.815 -10.330 1.00 12.55 H new ATOM 0 HB3 TYR A 121 -19.225 0.744 -9.067 1.00 12.55 H new ATOM 0 HD1 TYR A 121 -21.115 3.502 -10.801 1.00 71.41 H new ATOM 0 HD2 TYR A 121 -19.893 1.786 -7.098 1.00 31.25 H new ATOM 0 HE1 TYR A 121 -22.274 5.296 -9.589 1.00 31.54 H new ATOM 0 HE2 TYR A 121 -21.057 3.574 -5.883 1.00 3.24 H new ATOM 0 HH TYR A 121 -22.278 5.411 -6.019 1.00 2.01 H new ATOM 2039 N ILE A 122 -17.129 2.493 -8.969 1.00 50.42 N ATOM 2040 CA ILE A 122 -15.860 2.509 -8.252 1.00 72.10 C ATOM 2041 C ILE A 122 -15.330 1.095 -8.042 1.00 70.40 C ATOM 2042 O ILE A 122 -16.101 0.152 -7.862 1.00 63.53 O ATOM 2043 CB ILE A 122 -15.995 3.203 -6.884 1.00 34.22 C ATOM 2044 CG1 ILE A 122 -16.984 2.443 -5.997 1.00 71.44 C ATOM 2045 CG2 ILE A 122 -16.439 4.647 -7.064 1.00 30.12 C ATOM 2046 CD1 ILE A 122 -17.072 2.985 -4.588 1.00 34.30 C ATOM 0 H ILE A 122 -17.881 3.004 -8.507 1.00 50.42 H new ATOM 0 HA ILE A 122 -15.157 3.071 -8.867 1.00 72.10 H new ATOM 0 HB ILE A 122 -15.021 3.201 -6.395 1.00 34.22 H new ATOM 0 HG12 ILE A 122 -17.973 2.480 -6.454 1.00 71.44 H new ATOM 0 HG13 ILE A 122 -16.691 1.394 -5.956 1.00 71.44 H new ATOM 0 HG21 ILE A 122 -16.530 5.124 -6.088 1.00 30.12 H new ATOM 0 HG22 ILE A 122 -15.702 5.182 -7.662 1.00 30.12 H new ATOM 0 HG23 ILE A 122 -17.404 4.671 -7.571 1.00 30.12 H new ATOM 0 HD11 ILE A 122 -17.791 2.398 -4.017 1.00 34.30 H new ATOM 0 HD12 ILE A 122 -16.093 2.922 -4.112 1.00 34.30 H new ATOM 0 HD13 ILE A 122 -17.395 4.026 -4.618 1.00 34.30 H new