USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 983 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 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 119 TYR OH : rot -150:sc= -0.728 USER MOD Set 2.1: A 14 TYR OH : rot 30:sc= 0.844 USER MOD Set 2.2: A 115 GLN : amide:sc= -4.81 K(o=-2.2,f=-9.1!) USER MOD Set 2.3: A 117 TYR OH : rot 62:sc= 1.72 USER MOD Set 3.1: A 81 THR OG1 : rot 59:sc= 1.13 USER MOD Set 3.2: A 92 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0262) USER MOD Single : A 1 ALA N :NH3+ -144:sc= 0.263 (180deg=0.000498) USER MOD Single : A 5 THR OG1 : rot -62:sc= -11.6! USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -7.36! (180deg=-9.85!) USER MOD Single : A 11 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.3!) USER MOD Single : A 13 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.53) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc=-0.00473 (180deg=-0.0885) USER MOD Single : A 18 MET CE :methyl 157:sc= -0.0593 (180deg=-1.11) USER MOD Single : A 21 MET CE :methyl -121:sc= -9.42! (180deg=-12.3!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0.957 (180deg=0.938) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -1.23 (180deg=-1.79) USER MOD Single : A 39 THR OG1 : rot 81:sc= -7.2! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -1.27 K(o=-1.3,f=-6.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 52:sc= 0.0287 USER MOD Single : A 53 SER OG : rot 115:sc= 1.62 USER MOD Single : A 54 ASN : amide:sc= 0.00111 X(o=0.0011,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.432 K(o=0.43,f=-3.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -160:sc= 0.308 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -164:sc= -5.93! (180deg=-6.44!) USER MOD Single : A 87 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.44) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0133) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot -64:sc= -0.335 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.755 8.920 2.651 1.00 0.00 N ATOM 2 CA ALA A 1 3.537 9.956 3.265 1.00 0.00 C ATOM 3 C ALA A 1 5.004 9.695 2.871 1.00 0.00 C ATOM 4 O ALA A 1 5.152 9.193 1.782 1.00 0.00 O ATOM 5 CB ALA A 1 3.330 9.783 4.760 1.00 0.00 C ATOM 0 H1 ALA A 1 1.840 9.310 2.347 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.263 8.545 1.825 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.595 8.154 3.336 1.00 0.00 H new ATOM 0 HA ALA A 1 3.264 10.967 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.899 10.542 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.271 9.889 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.671 8.793 5.062 1.00 0.00 H new ATOM 13 N PHE A 2 5.991 10.031 3.739 1.00 0.00 N ATOM 14 CA PHE A 2 7.424 9.820 3.454 1.00 0.00 C ATOM 15 C PHE A 2 7.834 9.894 1.958 1.00 0.00 C ATOM 16 O PHE A 2 8.266 10.973 1.551 1.00 0.00 O ATOM 17 CB PHE A 2 7.967 8.417 3.877 1.00 0.00 C ATOM 18 CG PHE A 2 8.448 8.319 5.292 1.00 0.00 C ATOM 19 CD1 PHE A 2 9.261 9.278 5.829 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.087 7.242 6.091 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.715 9.193 7.120 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.515 7.085 7.411 1.00 0.00 C ATOM 23 CZ PHE A 2 9.341 8.089 7.914 1.00 0.00 C ATOM 0 H PHE A 2 5.813 10.453 4.650 1.00 0.00 H new ATOM 0 HA PHE A 2 7.842 10.642 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 2 7.179 7.680 3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.787 8.147 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.553 10.122 5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.441 6.486 5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.353 9.964 7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.223 6.234 8.008 1.00 0.00 H new ATOM 0 HZ PHE A 2 9.701 8.020 8.930 1.00 0.00 H new ATOM 33 N ASP A 3 7.722 8.827 1.183 1.00 0.00 N ATOM 34 CA ASP A 3 8.076 8.666 -0.221 1.00 0.00 C ATOM 35 C ASP A 3 8.398 9.912 -1.007 1.00 0.00 C ATOM 36 O ASP A 3 7.650 10.370 -1.862 1.00 0.00 O ATOM 37 CB ASP A 3 7.069 7.782 -1.030 1.00 0.00 C ATOM 38 CG ASP A 3 7.660 7.404 -2.339 1.00 0.00 C ATOM 39 OD1 ASP A 3 8.612 6.641 -2.463 1.00 0.00 O ATOM 40 OD2 ASP A 3 7.034 7.987 -3.334 1.00 0.00 O ATOM 0 H ASP A 3 7.340 7.960 1.561 1.00 0.00 H new ATOM 0 HA ASP A 3 9.025 8.141 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.822 6.886 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.138 8.327 -1.186 1.00 0.00 H new ATOM 45 N GLY A 4 9.567 10.430 -0.670 1.00 0.00 N ATOM 46 CA GLY A 4 10.076 11.609 -1.290 1.00 0.00 C ATOM 47 C GLY A 4 11.464 12.042 -0.769 1.00 0.00 C ATOM 48 O GLY A 4 12.287 11.196 -0.510 1.00 0.00 O ATOM 0 H GLY A 4 10.179 10.034 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.138 11.444 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.370 12.424 -1.133 1.00 0.00 H new ATOM 52 N THR A 5 11.539 13.336 -0.661 1.00 0.00 N ATOM 53 CA THR A 5 12.598 14.135 -0.148 1.00 0.00 C ATOM 54 C THR A 5 12.126 14.629 1.189 1.00 0.00 C ATOM 55 O THR A 5 10.920 14.675 1.395 1.00 0.00 O ATOM 56 CB THR A 5 13.065 15.301 -1.055 1.00 0.00 C ATOM 57 OG1 THR A 5 11.985 16.173 -0.921 1.00 0.00 O ATOM 58 CG2 THR A 5 13.101 14.825 -2.513 1.00 0.00 C ATOM 0 H THR A 5 10.762 13.920 -0.970 1.00 0.00 H new ATOM 0 HA THR A 5 13.495 13.519 -0.082 1.00 0.00 H new ATOM 0 HB THR A 5 14.045 15.708 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.174 15.744 -1.265 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.429 15.643 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.795 13.990 -2.606 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.104 14.504 -2.816 1.00 0.00 H new ATOM 66 N TRP A 6 13.134 14.918 1.943 1.00 0.00 N ATOM 67 CA TRP A 6 13.074 15.317 3.313 1.00 0.00 C ATOM 68 C TRP A 6 14.427 15.840 3.685 1.00 0.00 C ATOM 69 O TRP A 6 15.308 15.629 2.881 1.00 0.00 O ATOM 70 CB TRP A 6 13.055 13.892 3.969 1.00 0.00 C ATOM 71 CG TRP A 6 11.690 13.346 3.811 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.437 12.076 3.385 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.379 13.922 3.966 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.121 11.781 3.235 1.00 0.00 N ATOM 75 CE2 TRP A 6 9.459 12.903 3.575 1.00 0.00 C ATOM 76 CE3 TRP A 6 9.814 15.118 4.352 1.00 0.00 C ATOM 77 CZ2 TRP A 6 8.075 13.074 3.548 1.00 0.00 C ATOM 78 CZ3 TRP A 6 8.438 15.283 4.328 1.00 0.00 C ATOM 79 CH2 TRP A 6 7.574 14.282 3.927 1.00 0.00 C ATOM 0 H TRP A 6 14.092 14.879 1.594 1.00 0.00 H new ATOM 0 HA TRP A 6 12.284 16.026 3.561 1.00 0.00 H new ATOM 0 HB2 TRP A 6 13.786 13.240 3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 6 13.324 13.952 5.024 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.221 11.362 3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.718 10.895 2.929 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.447 15.931 4.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 7.421 12.273 3.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.024 16.232 4.635 1.00 0.00 H new ATOM 0 HH2 TRP A 6 6.508 14.457 3.914 1.00 0.00 H new ATOM 90 N LYS A 7 14.586 16.428 4.838 1.00 0.00 N ATOM 91 CA LYS A 7 15.908 17.027 5.104 1.00 0.00 C ATOM 92 C LYS A 7 16.041 17.121 6.587 1.00 0.00 C ATOM 93 O LYS A 7 15.633 16.209 7.296 1.00 0.00 O ATOM 94 CB LYS A 7 15.864 18.380 4.356 1.00 0.00 C ATOM 95 CG LYS A 7 15.105 18.343 3.055 1.00 0.00 C ATOM 96 CD LYS A 7 15.109 19.489 2.062 1.00 0.00 C ATOM 97 CE LYS A 7 16.241 19.523 1.004 1.00 0.00 C ATOM 98 NZ LYS A 7 15.851 20.381 -0.139 1.00 0.00 N ATOM 0 H LYS A 7 13.886 16.515 5.575 1.00 0.00 H new ATOM 0 HA LYS A 7 16.780 16.472 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.410 19.127 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.885 18.706 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.460 17.465 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.062 18.160 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.156 19.477 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.149 20.421 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.158 19.901 1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.451 18.512 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.358 20.073 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.826 20.303 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.094 21.370 0.071 1.00 0.00 H new ATOM 112 N VAL A 8 16.605 18.233 6.998 1.00 0.00 N ATOM 113 CA VAL A 8 16.698 18.464 8.410 1.00 0.00 C ATOM 114 C VAL A 8 16.750 19.991 8.590 1.00 0.00 C ATOM 115 O VAL A 8 17.752 20.521 9.001 1.00 0.00 O ATOM 116 CB VAL A 8 17.712 17.666 9.193 1.00 0.00 C ATOM 117 CG1 VAL A 8 17.909 18.244 10.599 1.00 0.00 C ATOM 118 CG2 VAL A 8 17.406 16.146 9.323 1.00 0.00 C ATOM 0 H VAL A 8 16.991 18.962 6.398 1.00 0.00 H new ATOM 0 HA VAL A 8 15.814 18.046 8.892 1.00 0.00 H new ATOM 0 HB VAL A 8 18.622 17.754 8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.645 17.647 11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.261 19.273 10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.961 18.223 11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.194 15.665 9.902 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.449 16.009 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.360 15.698 8.330 1.00 0.00 H new ATOM 128 N ASP A 9 15.613 20.584 8.203 1.00 0.00 N ATOM 129 CA ASP A 9 15.385 22.006 8.172 1.00 0.00 C ATOM 130 C ASP A 9 15.864 22.655 9.477 1.00 0.00 C ATOM 131 O ASP A 9 16.463 23.707 9.486 1.00 0.00 O ATOM 132 CB ASP A 9 13.852 22.180 8.199 1.00 0.00 C ATOM 133 CG ASP A 9 13.269 23.458 7.714 1.00 0.00 C ATOM 134 OD1 ASP A 9 13.905 24.490 7.684 1.00 0.00 O ATOM 135 OD2 ASP A 9 12.025 23.410 7.327 1.00 0.00 O ATOM 0 H ASP A 9 14.802 20.049 7.893 1.00 0.00 H new ATOM 0 HA ASP A 9 15.891 22.443 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.418 21.374 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.521 22.035 9.227 1.00 0.00 H new ATOM 140 N ARG A 10 15.517 21.936 10.537 1.00 0.00 N ATOM 141 CA ARG A 10 15.867 22.459 11.794 1.00 0.00 C ATOM 142 C ARG A 10 16.444 21.355 12.630 1.00 0.00 C ATOM 143 O ARG A 10 16.308 20.193 12.253 1.00 0.00 O ATOM 144 CB ARG A 10 14.609 23.086 12.397 1.00 0.00 C ATOM 145 CG ARG A 10 13.275 22.615 11.851 1.00 0.00 C ATOM 146 CD ARG A 10 12.473 23.651 11.052 1.00 0.00 C ATOM 147 NE ARG A 10 11.045 23.480 11.324 1.00 0.00 N ATOM 148 CZ ARG A 10 10.477 23.745 12.506 1.00 0.00 C ATOM 149 NH1 ARG A 10 11.233 24.186 13.511 1.00 0.00 N ATOM 150 NH2 ARG A 10 9.193 23.603 12.767 1.00 0.00 N ATOM 0 H ARG A 10 15.023 21.044 10.531 1.00 0.00 H new ATOM 0 HA ARG A 10 16.630 23.235 11.730 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.620 22.901 13.471 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.669 24.166 12.259 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.451 21.750 11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.662 22.275 12.686 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.788 24.658 11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.667 23.533 9.986 1.00 0.00 H new ATOM 0 HE ARG A 10 10.449 23.139 10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.235 24.319 13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.809 24.391 14.416 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.559 23.270 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.834 23.826 13.695 1.00 0.00 H new ATOM 164 N ASN A 11 17.074 21.667 13.727 1.00 0.00 N ATOM 165 CA ASN A 11 17.614 20.593 14.541 1.00 0.00 C ATOM 166 C ASN A 11 17.519 20.888 16.031 1.00 0.00 C ATOM 167 O ASN A 11 18.000 21.958 16.431 1.00 0.00 O ATOM 168 CB ASN A 11 19.054 20.248 14.160 1.00 0.00 C ATOM 169 CG ASN A 11 19.686 21.230 13.212 1.00 0.00 C ATOM 170 OD1 ASN A 11 19.688 21.076 11.999 1.00 0.00 O ATOM 171 ND2 ASN A 11 20.242 22.272 13.793 1.00 0.00 N ATOM 0 H ASN A 11 17.227 22.613 14.076 1.00 0.00 H new ATOM 0 HA ASN A 11 16.991 19.723 14.333 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.656 20.194 15.067 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.072 19.257 13.706 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.697 22.989 13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 11 20.218 22.363 14.809 1.00 0.00 H new ATOM 178 N GLU A 12 16.935 19.990 16.809 1.00 0.00 N ATOM 179 CA GLU A 12 16.765 20.104 18.243 1.00 0.00 C ATOM 180 C GLU A 12 17.552 18.941 18.887 1.00 0.00 C ATOM 181 O GLU A 12 17.548 17.869 18.318 1.00 0.00 O ATOM 182 CB GLU A 12 15.334 20.086 18.820 1.00 0.00 C ATOM 183 CG GLU A 12 15.020 21.349 19.663 1.00 0.00 C ATOM 184 CD GLU A 12 15.816 21.441 20.944 1.00 0.00 C ATOM 185 OE1 GLU A 12 16.971 21.806 21.062 1.00 0.00 O ATOM 186 OE2 GLU A 12 15.144 21.083 21.987 1.00 0.00 O ATOM 0 H GLU A 12 16.550 19.122 16.437 1.00 0.00 H new ATOM 0 HA GLU A 12 17.122 21.106 18.480 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.617 20.011 18.003 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.206 19.198 19.439 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.217 22.235 19.060 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.957 21.358 19.905 1.00 0.00 H new ATOM 193 N ASN A 13 18.188 19.200 20.036 1.00 0.00 N ATOM 194 CA ASN A 13 18.978 18.213 20.788 1.00 0.00 C ATOM 195 C ASN A 13 19.868 17.391 19.886 1.00 0.00 C ATOM 196 O ASN A 13 20.271 16.319 20.290 1.00 0.00 O ATOM 197 CB ASN A 13 17.975 17.290 21.513 1.00 0.00 C ATOM 198 CG ASN A 13 17.683 17.696 22.933 1.00 0.00 C ATOM 199 OD1 ASN A 13 18.573 17.892 23.749 1.00 0.00 O ATOM 200 ND2 ASN A 13 16.405 17.842 23.289 1.00 0.00 N ATOM 0 H ASN A 13 18.169 20.119 20.479 1.00 0.00 H new ATOM 0 HA ASN A 13 19.634 18.730 21.489 1.00 0.00 H new ATOM 0 HB2 ASN A 13 17.041 17.274 20.951 1.00 0.00 H new ATOM 0 HB3 ASN A 13 18.366 16.273 21.510 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.169 18.117 24.242 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.664 17.678 22.608 1.00 0.00 H new ATOM 207 N TYR A 14 20.159 17.902 18.691 1.00 0.00 N ATOM 208 CA TYR A 14 20.993 17.214 17.704 1.00 0.00 C ATOM 209 C TYR A 14 22.489 17.221 17.897 1.00 0.00 C ATOM 210 O TYR A 14 23.150 16.219 17.635 1.00 0.00 O ATOM 211 CB TYR A 14 20.444 17.673 16.335 1.00 0.00 C ATOM 212 CG TYR A 14 20.600 16.709 15.222 1.00 0.00 C ATOM 213 CD1 TYR A 14 21.878 16.537 14.672 1.00 0.00 C ATOM 214 CD2 TYR A 14 19.538 15.970 14.698 1.00 0.00 C ATOM 215 CE1 TYR A 14 22.132 15.660 13.632 1.00 0.00 C ATOM 216 CE2 TYR A 14 19.797 15.091 13.651 1.00 0.00 C ATOM 217 CZ TYR A 14 21.066 14.912 13.100 1.00 0.00 C ATOM 218 OH TYR A 14 21.268 14.032 12.069 1.00 0.00 O ATOM 0 H TYR A 14 19.821 18.812 18.377 1.00 0.00 H new ATOM 0 HA TYR A 14 20.900 16.134 17.822 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.384 17.901 16.448 1.00 0.00 H new ATOM 0 HB3 TYR A 14 20.942 18.602 16.058 1.00 0.00 H new ATOM 0 HD1 TYR A 14 22.698 17.112 15.076 1.00 0.00 H new ATOM 0 HD2 TYR A 14 18.540 16.078 15.096 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.131 15.552 13.236 1.00 0.00 H new ATOM 0 HE2 TYR A 14 18.975 14.519 13.245 1.00 0.00 H new ATOM 0 HH TYR A 14 22.179 13.674 12.118 1.00 0.00 H new ATOM 228 N GLU A 15 23.064 18.314 18.348 1.00 0.00 N ATOM 229 CA GLU A 15 24.499 18.370 18.551 1.00 0.00 C ATOM 230 C GLU A 15 24.952 17.491 19.738 1.00 0.00 C ATOM 231 O GLU A 15 25.842 16.661 19.604 1.00 0.00 O ATOM 232 CB GLU A 15 25.017 19.804 18.687 1.00 0.00 C ATOM 233 CG GLU A 15 26.557 19.835 18.494 1.00 0.00 C ATOM 234 CD GLU A 15 27.030 21.245 18.475 1.00 0.00 C ATOM 235 OE1 GLU A 15 27.043 21.741 19.683 1.00 0.00 O ATOM 236 OE2 GLU A 15 27.363 21.893 17.516 1.00 0.00 O ATOM 0 H GLU A 15 22.565 19.173 18.581 1.00 0.00 H new ATOM 0 HA GLU A 15 24.949 17.956 17.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 24.537 20.444 17.947 1.00 0.00 H new ATOM 0 HB3 GLU A 15 24.758 20.201 19.668 1.00 0.00 H new ATOM 0 HG2 GLU A 15 27.046 19.288 19.300 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.827 19.338 17.562 1.00 0.00 H new ATOM 243 N LYS A 16 24.350 17.639 20.935 1.00 0.00 N ATOM 244 CA LYS A 16 24.707 16.859 22.101 1.00 0.00 C ATOM 245 C LYS A 16 24.239 15.415 21.909 1.00 0.00 C ATOM 246 O LYS A 16 24.701 14.480 22.535 1.00 0.00 O ATOM 247 CB LYS A 16 24.296 17.489 23.427 1.00 0.00 C ATOM 248 CG LYS A 16 25.193 17.085 24.604 1.00 0.00 C ATOM 249 CD LYS A 16 24.689 17.714 25.872 1.00 0.00 C ATOM 250 CE LYS A 16 25.389 19.015 26.252 1.00 0.00 C ATOM 251 NZ LYS A 16 26.781 18.789 26.664 1.00 0.00 N ATOM 0 H LYS A 16 23.601 18.310 21.104 1.00 0.00 H new ATOM 0 HA LYS A 16 25.794 16.848 22.182 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.312 18.574 23.325 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.268 17.205 23.651 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.206 16.000 24.707 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.219 17.400 24.415 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.621 17.907 25.768 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.806 17.001 26.688 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.368 19.699 25.404 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.844 19.497 27.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 27.152 19.647 27.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.820 17.996 27.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.358 18.563 25.829 1.00 0.00 H new ATOM 265 N PHE A 17 23.261 15.122 21.001 1.00 0.00 N ATOM 266 CA PHE A 17 22.765 13.771 20.758 1.00 0.00 C ATOM 267 C PHE A 17 23.815 12.846 20.097 1.00 0.00 C ATOM 268 O PHE A 17 23.879 11.612 20.308 1.00 0.00 O ATOM 269 CB PHE A 17 21.562 13.900 19.809 1.00 0.00 C ATOM 270 CG PHE A 17 21.337 12.698 18.920 1.00 0.00 C ATOM 271 CD1 PHE A 17 20.914 11.525 19.496 1.00 0.00 C ATOM 272 CD2 PHE A 17 21.558 12.789 17.540 1.00 0.00 C ATOM 273 CE1 PHE A 17 20.694 10.391 18.709 1.00 0.00 C ATOM 274 CE2 PHE A 17 21.342 11.677 16.745 1.00 0.00 C ATOM 275 CZ PHE A 17 20.911 10.487 17.348 1.00 0.00 C ATOM 0 H PHE A 17 22.807 15.832 20.426 1.00 0.00 H new ATOM 0 HA PHE A 17 22.507 13.321 21.717 1.00 0.00 H new ATOM 0 HB2 PHE A 17 20.664 14.072 20.402 1.00 0.00 H new ATOM 0 HB3 PHE A 17 21.702 14.780 19.181 1.00 0.00 H new ATOM 0 HD1 PHE A 17 20.751 11.479 20.563 1.00 0.00 H new ATOM 0 HD2 PHE A 17 21.893 13.717 17.101 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.363 9.464 19.153 1.00 0.00 H new ATOM 0 HE2 PHE A 17 21.503 11.725 15.678 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.743 9.618 16.729 1.00 0.00 H new ATOM 285 N MET A 18 24.630 13.494 19.289 1.00 0.00 N ATOM 286 CA MET A 18 25.690 12.851 18.557 1.00 0.00 C ATOM 287 C MET A 18 26.861 12.654 19.499 1.00 0.00 C ATOM 288 O MET A 18 27.275 11.537 19.694 1.00 0.00 O ATOM 289 CB MET A 18 26.169 13.786 17.411 1.00 0.00 C ATOM 290 CG MET A 18 25.335 13.491 16.206 1.00 0.00 C ATOM 291 SD MET A 18 25.508 14.706 14.894 1.00 0.00 S ATOM 292 CE MET A 18 27.264 14.418 14.614 1.00 0.00 C ATOM 0 H MET A 18 24.569 14.499 19.123 1.00 0.00 H new ATOM 0 HA MET A 18 25.335 11.904 18.152 1.00 0.00 H new ATOM 0 HB2 MET A 18 26.065 14.831 17.702 1.00 0.00 H new ATOM 0 HB3 MET A 18 27.224 13.618 17.196 1.00 0.00 H new ATOM 0 HG2 MET A 18 25.607 12.509 15.818 1.00 0.00 H new ATOM 0 HG3 MET A 18 24.288 13.437 16.504 1.00 0.00 H new ATOM 0 HE1 MET A 18 27.529 14.737 13.606 1.00 0.00 H new ATOM 0 HE2 MET A 18 27.846 14.987 15.339 1.00 0.00 H new ATOM 0 HE3 MET A 18 27.481 13.356 14.728 1.00 0.00 H new ATOM 302 N GLU A 19 27.298 13.787 20.012 1.00 0.00 N ATOM 303 CA GLU A 19 28.428 13.901 20.903 1.00 0.00 C ATOM 304 C GLU A 19 28.500 12.840 22.008 1.00 0.00 C ATOM 305 O GLU A 19 29.529 12.225 22.277 1.00 0.00 O ATOM 306 CB GLU A 19 28.291 15.184 21.761 1.00 0.00 C ATOM 307 CG GLU A 19 29.599 15.523 22.489 1.00 0.00 C ATOM 308 CD GLU A 19 29.713 16.946 22.983 1.00 0.00 C ATOM 309 OE1 GLU A 19 29.054 17.176 24.075 1.00 0.00 O ATOM 310 OE2 GLU A 19 30.365 17.736 22.367 1.00 0.00 O ATOM 0 H GLU A 19 26.857 14.685 19.810 1.00 0.00 H new ATOM 0 HA GLU A 19 29.279 13.842 20.225 1.00 0.00 H new ATOM 0 HB2 GLU A 19 28.003 16.019 21.123 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.493 15.050 22.491 1.00 0.00 H new ATOM 0 HG2 GLU A 19 29.707 14.851 23.340 1.00 0.00 H new ATOM 0 HG3 GLU A 19 30.433 15.321 21.816 1.00 0.00 H new ATOM 317 N LYS A 20 27.347 12.711 22.662 1.00 0.00 N ATOM 318 CA LYS A 20 27.330 11.799 23.824 1.00 0.00 C ATOM 319 C LYS A 20 27.481 10.337 23.515 1.00 0.00 C ATOM 320 O LYS A 20 27.892 9.566 24.400 1.00 0.00 O ATOM 321 CB LYS A 20 26.110 12.178 24.677 1.00 0.00 C ATOM 322 CG LYS A 20 26.170 13.630 25.084 1.00 0.00 C ATOM 323 CD LYS A 20 24.882 13.911 25.778 1.00 0.00 C ATOM 324 CE LYS A 20 24.299 12.727 26.503 1.00 0.00 C ATOM 325 NZ LYS A 20 23.157 13.170 27.290 1.00 0.00 N ATOM 0 H LYS A 20 26.470 13.182 22.439 1.00 0.00 H new ATOM 0 HA LYS A 20 28.240 11.945 24.407 1.00 0.00 H new ATOM 0 HB2 LYS A 20 25.195 11.991 24.115 1.00 0.00 H new ATOM 0 HB3 LYS A 20 26.072 11.548 25.566 1.00 0.00 H new ATOM 0 HG2 LYS A 20 27.018 13.817 25.743 1.00 0.00 H new ATOM 0 HG3 LYS A 20 26.294 14.275 24.214 1.00 0.00 H new ATOM 0 HD2 LYS A 20 25.036 14.720 26.492 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.158 14.267 25.045 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.991 11.963 25.790 1.00 0.00 H new ATOM 0 HE3 LYS A 20 25.050 12.275 27.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.747 12.358 27.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.466 13.886 27.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 22.440 13.583 26.660 1.00 0.00 H new ATOM 339 N MET A 21 27.182 9.883 22.277 1.00 0.00 N ATOM 340 CA MET A 21 27.340 8.487 21.941 1.00 0.00 C ATOM 341 C MET A 21 28.749 8.140 21.389 1.00 0.00 C ATOM 342 O MET A 21 28.989 7.019 20.948 1.00 0.00 O ATOM 343 CB MET A 21 26.227 7.860 21.097 1.00 0.00 C ATOM 344 CG MET A 21 25.688 8.762 19.976 1.00 0.00 C ATOM 345 SD MET A 21 24.383 8.000 18.983 1.00 0.00 S ATOM 346 CE MET A 21 25.038 8.604 17.419 1.00 0.00 C ATOM 0 H MET A 21 26.836 10.469 21.517 1.00 0.00 H new ATOM 0 HA MET A 21 27.237 8.006 22.914 1.00 0.00 H new ATOM 0 HB2 MET A 21 26.601 6.937 20.654 1.00 0.00 H new ATOM 0 HB3 MET A 21 25.401 7.587 21.754 1.00 0.00 H new ATOM 0 HG2 MET A 21 25.305 9.682 20.417 1.00 0.00 H new ATOM 0 HG3 MET A 21 26.513 9.042 19.321 1.00 0.00 H new ATOM 0 HE1 MET A 21 24.287 9.220 16.924 1.00 0.00 H new ATOM 0 HE2 MET A 21 25.931 9.200 17.605 1.00 0.00 H new ATOM 0 HE3 MET A 21 25.293 7.758 16.780 1.00 0.00 H new ATOM 356 N GLY A 22 29.680 9.101 21.415 1.00 0.00 N ATOM 357 CA GLY A 22 31.061 8.888 20.923 1.00 0.00 C ATOM 358 C GLY A 22 31.578 9.877 19.897 1.00 0.00 C ATOM 359 O GLY A 22 32.648 9.796 19.303 1.00 0.00 O ATOM 0 H GLY A 22 29.508 10.041 21.772 1.00 0.00 H new ATOM 0 HA2 GLY A 22 31.734 8.904 21.780 1.00 0.00 H new ATOM 0 HA3 GLY A 22 31.118 7.889 20.491 1.00 0.00 H new ATOM 363 N ILE A 23 30.792 10.915 19.635 1.00 0.00 N ATOM 364 CA ILE A 23 31.147 11.945 18.681 1.00 0.00 C ATOM 365 C ILE A 23 31.951 13.009 19.363 1.00 0.00 C ATOM 366 O ILE A 23 31.570 13.415 20.468 1.00 0.00 O ATOM 367 CB ILE A 23 29.852 12.504 18.111 1.00 0.00 C ATOM 368 CG1 ILE A 23 29.260 11.604 17.065 1.00 0.00 C ATOM 369 CG2 ILE A 23 30.084 13.938 17.582 1.00 0.00 C ATOM 370 CD1 ILE A 23 29.257 10.133 17.464 1.00 0.00 C ATOM 0 H ILE A 23 29.888 11.061 20.083 1.00 0.00 H new ATOM 0 HA ILE A 23 31.759 11.544 17.873 1.00 0.00 H new ATOM 0 HB ILE A 23 29.117 12.552 18.915 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.237 11.920 16.861 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.820 11.720 16.137 1.00 0.00 H new ATOM 0 HG21 ILE A 23 29.152 14.331 17.176 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.422 14.577 18.398 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.842 13.919 16.799 1.00 0.00 H new ATOM 0 HD11 ILE A 23 28.816 9.540 16.663 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.280 9.802 17.640 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.673 10.004 18.375 1.00 0.00 H new ATOM 382 N ASN A 24 33.048 13.507 18.795 1.00 0.00 N ATOM 383 CA ASN A 24 33.849 14.540 19.422 1.00 0.00 C ATOM 384 C ASN A 24 33.790 15.879 18.766 1.00 0.00 C ATOM 385 O ASN A 24 33.140 16.017 17.743 1.00 0.00 O ATOM 386 CB ASN A 24 35.310 14.151 19.771 1.00 0.00 C ATOM 387 CG ASN A 24 35.521 13.620 21.167 1.00 0.00 C ATOM 388 OD1 ASN A 24 36.192 14.275 21.979 1.00 0.00 O ATOM 389 ND2 ASN A 24 34.950 12.446 21.429 1.00 0.00 N ATOM 0 H ASN A 24 33.401 13.202 17.888 1.00 0.00 H new ATOM 0 HA ASN A 24 33.333 14.637 20.377 1.00 0.00 H new ATOM 0 HB2 ASN A 24 35.648 13.398 19.059 1.00 0.00 H new ATOM 0 HB3 ASN A 24 35.944 15.027 19.634 1.00 0.00 H new ATOM 0 HD21 ASN A 24 35.050 12.025 22.353 1.00 0.00 H new ATOM 0 HD22 ASN A 24 34.412 11.968 20.706 1.00 0.00 H new ATOM 396 N VAL A 25 34.447 16.889 19.317 1.00 0.00 N ATOM 397 CA VAL A 25 34.429 18.209 18.717 1.00 0.00 C ATOM 398 C VAL A 25 35.181 18.417 17.421 1.00 0.00 C ATOM 399 O VAL A 25 34.891 19.380 16.684 1.00 0.00 O ATOM 400 CB VAL A 25 34.558 19.392 19.665 1.00 0.00 C ATOM 401 CG1 VAL A 25 33.677 19.193 20.888 1.00 0.00 C ATOM 402 CG2 VAL A 25 36.004 19.580 20.117 1.00 0.00 C ATOM 0 H VAL A 25 34.996 16.818 20.174 1.00 0.00 H new ATOM 0 HA VAL A 25 33.386 18.201 18.401 1.00 0.00 H new ATOM 0 HB VAL A 25 34.237 20.282 19.124 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.782 20.049 21.555 1.00 0.00 H new ATOM 0 HG12 VAL A 25 32.637 19.102 20.576 1.00 0.00 H new ATOM 0 HG13 VAL A 25 33.980 18.286 21.411 1.00 0.00 H new ATOM 0 HG21 VAL A 25 36.066 20.432 20.793 1.00 0.00 H new ATOM 0 HG22 VAL A 25 36.344 18.682 20.633 1.00 0.00 H new ATOM 0 HG23 VAL A 25 36.636 19.760 19.248 1.00 0.00 H new ATOM 412 N VAL A 26 36.141 17.586 17.040 1.00 0.00 N ATOM 413 CA VAL A 26 36.905 17.703 15.798 1.00 0.00 C ATOM 414 C VAL A 26 35.970 17.541 14.614 1.00 0.00 C ATOM 415 O VAL A 26 36.245 18.007 13.507 1.00 0.00 O ATOM 416 CB VAL A 26 38.071 16.745 15.818 1.00 0.00 C ATOM 417 CG1 VAL A 26 39.126 17.167 14.818 1.00 0.00 C ATOM 418 CG2 VAL A 26 38.723 16.873 17.176 1.00 0.00 C ATOM 0 H VAL A 26 36.422 16.783 17.604 1.00 0.00 H new ATOM 0 HA VAL A 26 37.347 18.695 15.699 1.00 0.00 H new ATOM 0 HB VAL A 26 37.713 15.740 15.592 1.00 0.00 H new ATOM 0 HG11 VAL A 26 39.958 16.463 14.848 1.00 0.00 H new ATOM 0 HG12 VAL A 26 38.695 17.177 13.817 1.00 0.00 H new ATOM 0 HG13 VAL A 26 39.486 18.165 15.068 1.00 0.00 H new ATOM 0 HG21 VAL A 26 39.575 16.195 17.236 1.00 0.00 H new ATOM 0 HG22 VAL A 26 39.064 17.898 17.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 38.001 16.618 17.952 1.00 0.00 H new ATOM 428 N LYS A 27 34.859 16.867 14.947 1.00 0.00 N ATOM 429 CA LYS A 27 33.777 16.589 14.072 1.00 0.00 C ATOM 430 C LYS A 27 32.893 17.846 13.972 1.00 0.00 C ATOM 431 O LYS A 27 32.178 18.001 12.980 1.00 0.00 O ATOM 432 CB LYS A 27 32.927 15.408 14.553 1.00 0.00 C ATOM 433 CG LYS A 27 33.728 14.122 14.795 1.00 0.00 C ATOM 434 CD LYS A 27 34.381 13.468 13.569 1.00 0.00 C ATOM 435 CE LYS A 27 35.316 12.294 13.901 1.00 0.00 C ATOM 436 NZ LYS A 27 35.891 11.684 12.684 1.00 0.00 N ATOM 0 H LYS A 27 34.712 16.495 15.885 1.00 0.00 H new ATOM 0 HA LYS A 27 34.188 16.318 13.100 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.422 15.689 15.477 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.151 15.207 13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.512 14.342 15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.064 13.391 15.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 33.597 13.115 12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 27 34.946 14.225 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.122 12.643 14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.765 11.538 14.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.592 10.965 12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.134 11.238 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.353 12.420 12.112 1.00 0.00 H new ATOM 595 N LYS A 37 19.260 16.454 3.064 1.00 0.00 N ATOM 596 CA LYS A 37 18.241 15.584 2.557 1.00 0.00 C ATOM 597 C LYS A 37 18.329 14.181 3.106 1.00 0.00 C ATOM 598 O LYS A 37 18.992 13.350 2.476 1.00 0.00 O ATOM 599 CB LYS A 37 18.199 15.547 1.027 1.00 0.00 C ATOM 600 CG LYS A 37 16.789 15.682 0.456 1.00 0.00 C ATOM 601 CD LYS A 37 16.773 15.249 -0.998 1.00 0.00 C ATOM 602 CE LYS A 37 17.755 15.970 -1.880 1.00 0.00 C ATOM 603 NZ LYS A 37 17.478 17.381 -2.172 1.00 0.00 N ATOM 0 HA LYS A 37 17.307 16.020 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.821 16.352 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.635 14.610 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.094 15.072 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.451 16.715 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.979 14.180 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.770 15.399 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.738 15.907 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.817 15.434 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.362 17.861 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.802 17.446 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.074 17.837 -1.329 1.00 0.00 H new ATOM 617 N LEU A 38 17.664 13.986 4.230 1.00 0.00 N ATOM 618 CA LEU A 38 17.597 12.635 4.775 1.00 0.00 C ATOM 619 C LEU A 38 17.037 11.898 3.563 1.00 0.00 C ATOM 620 O LEU A 38 17.636 10.874 3.256 1.00 0.00 O ATOM 621 CB LEU A 38 16.459 12.400 5.779 1.00 0.00 C ATOM 622 CG LEU A 38 16.437 11.136 6.637 1.00 0.00 C ATOM 623 CD1 LEU A 38 16.711 9.903 5.781 1.00 0.00 C ATOM 624 CD2 LEU A 38 17.615 11.211 7.595 1.00 0.00 C ATOM 0 H LEU A 38 17.181 14.707 4.766 1.00 0.00 H new ATOM 0 HA LEU A 38 18.550 12.375 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.447 13.252 6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.524 12.426 5.219 1.00 0.00 H new ATOM 0 HG LEU A 38 15.467 11.067 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.691 9.012 6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.947 9.819 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.691 9.995 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.629 10.321 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 38 18.543 11.268 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.518 12.097 8.222 1.00 0.00 H new ATOM 636 N THR A 39 16.020 12.517 3.040 1.00 0.00 N ATOM 637 CA THR A 39 15.224 12.125 1.860 1.00 0.00 C ATOM 638 C THR A 39 14.660 10.761 2.091 1.00 0.00 C ATOM 639 O THR A 39 15.305 9.990 2.774 1.00 0.00 O ATOM 640 CB THR A 39 16.126 12.089 0.594 1.00 0.00 C ATOM 641 OG1 THR A 39 17.177 12.971 0.855 1.00 0.00 O ATOM 642 CG2 THR A 39 15.377 12.425 -0.707 1.00 0.00 C ATOM 0 H THR A 39 15.677 13.388 3.446 1.00 0.00 H new ATOM 0 HA THR A 39 14.423 12.849 1.709 1.00 0.00 H new ATOM 0 HB THR A 39 16.490 11.078 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.850 12.523 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.070 12.380 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.573 11.705 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.957 13.428 -0.636 1.00 0.00 H new ATOM 650 N ILE A 40 13.514 10.352 1.569 1.00 0.00 N ATOM 651 CA ILE A 40 13.053 8.981 1.825 1.00 0.00 C ATOM 652 C ILE A 40 12.278 8.327 0.715 1.00 0.00 C ATOM 653 O ILE A 40 11.295 8.857 0.258 1.00 0.00 O ATOM 654 CB ILE A 40 12.273 8.889 3.143 1.00 0.00 C ATOM 655 CG1 ILE A 40 13.080 9.340 4.364 1.00 0.00 C ATOM 656 CG2 ILE A 40 11.798 7.433 3.366 1.00 0.00 C ATOM 657 CD1 ILE A 40 12.214 9.445 5.647 1.00 0.00 C ATOM 0 H ILE A 40 12.900 10.920 0.985 1.00 0.00 H new ATOM 0 HA ILE A 40 13.979 8.410 1.895 1.00 0.00 H new ATOM 0 HB ILE A 40 11.427 9.570 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.894 8.636 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.534 10.309 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.244 7.370 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.152 7.131 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.663 6.771 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.837 9.768 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.415 10.169 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.781 8.471 5.874 1.00 0.00 H new ATOM 669 N THR A 41 12.670 7.136 0.243 1.00 0.00 N ATOM 670 CA THR A 41 11.913 6.491 -0.822 1.00 0.00 C ATOM 671 C THR A 41 11.740 5.014 -0.551 1.00 0.00 C ATOM 672 O THR A 41 12.713 4.280 -0.487 1.00 0.00 O ATOM 673 CB THR A 41 12.505 6.691 -2.206 1.00 0.00 C ATOM 674 OG1 THR A 41 12.905 8.000 -2.428 1.00 0.00 O ATOM 675 CG2 THR A 41 11.456 6.315 -3.241 1.00 0.00 C ATOM 0 H THR A 41 13.483 6.617 0.574 1.00 0.00 H new ATOM 0 HA THR A 41 10.941 6.984 -0.820 1.00 0.00 H new ATOM 0 HB THR A 41 13.390 6.059 -2.285 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.280 8.079 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.866 6.453 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.170 5.272 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.579 6.950 -3.117 1.00 0.00 H new ATOM 683 N GLN A 42 10.517 4.593 -0.399 1.00 0.00 N ATOM 684 CA GLN A 42 10.143 3.237 -0.138 1.00 0.00 C ATOM 685 C GLN A 42 10.246 2.397 -1.382 1.00 0.00 C ATOM 686 O GLN A 42 10.020 2.888 -2.479 1.00 0.00 O ATOM 687 CB GLN A 42 8.654 3.319 0.311 1.00 0.00 C ATOM 688 CG GLN A 42 7.958 1.965 0.477 1.00 0.00 C ATOM 689 CD GLN A 42 6.875 2.019 1.541 1.00 0.00 C ATOM 690 OE1 GLN A 42 6.065 2.985 1.675 1.00 0.00 O ATOM 691 NE2 GLN A 42 6.825 0.973 2.340 1.00 0.00 N ATOM 0 H GLN A 42 9.715 5.220 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 42 10.792 2.779 0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.604 3.856 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.101 3.909 -0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.520 1.662 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.694 1.207 0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.485 0.205 2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.126 0.931 3.082 1.00 0.00 H new ATOM 700 N GLU A 43 10.584 1.146 -1.194 1.00 0.00 N ATOM 701 CA GLU A 43 10.732 0.200 -2.267 1.00 0.00 C ATOM 702 C GLU A 43 10.068 -1.046 -1.682 1.00 0.00 C ATOM 703 O GLU A 43 9.314 -0.889 -0.734 1.00 0.00 O ATOM 704 CB GLU A 43 12.211 -0.038 -2.592 1.00 0.00 C ATOM 705 CG GLU A 43 12.501 0.058 -4.082 1.00 0.00 C ATOM 706 CD GLU A 43 12.654 -1.348 -4.541 1.00 0.00 C ATOM 707 OE1 GLU A 43 13.618 -2.023 -4.288 1.00 0.00 O ATOM 708 OE2 GLU A 43 11.663 -1.800 -5.243 1.00 0.00 O ATOM 0 H GLU A 43 10.767 0.751 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 43 10.292 0.522 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.819 0.692 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.506 -1.023 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.689 0.558 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.407 0.635 -4.271 1.00 0.00 H new ATOM 715 N GLY A 44 10.359 -2.220 -2.249 1.00 0.00 N ATOM 716 CA GLY A 44 9.764 -3.450 -1.739 1.00 0.00 C ATOM 717 C GLY A 44 10.405 -3.651 -0.365 1.00 0.00 C ATOM 718 O GLY A 44 11.424 -4.342 -0.220 1.00 0.00 O ATOM 0 H GLY A 44 10.988 -2.341 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.680 -3.363 -1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.970 -4.293 -2.399 1.00 0.00 H new ATOM 722 N ASN A 45 9.741 -3.006 0.607 1.00 0.00 N ATOM 723 CA ASN A 45 10.131 -3.024 1.969 1.00 0.00 C ATOM 724 C ASN A 45 11.309 -2.034 2.118 1.00 0.00 C ATOM 725 O ASN A 45 11.118 -1.019 2.752 1.00 0.00 O ATOM 726 CB ASN A 45 10.560 -4.430 2.493 1.00 0.00 C ATOM 727 CG ASN A 45 9.508 -5.465 2.195 1.00 0.00 C ATOM 728 OD1 ASN A 45 8.866 -5.497 1.118 1.00 0.00 O ATOM 729 ND2 ASN A 45 9.288 -6.360 3.145 1.00 0.00 N ATOM 0 H ASN A 45 8.902 -2.453 0.432 1.00 0.00 H new ATOM 0 HA ASN A 45 9.266 -2.743 2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.503 -4.722 2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.734 -4.383 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.588 -7.089 3.007 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.818 -6.321 4.015 1.00 0.00 H new ATOM 736 N LYS A 46 12.450 -2.341 1.556 1.00 0.00 N ATOM 737 CA LYS A 46 13.620 -1.483 1.636 1.00 0.00 C ATOM 738 C LYS A 46 13.250 -0.075 1.201 1.00 0.00 C ATOM 739 O LYS A 46 12.180 0.241 0.646 1.00 0.00 O ATOM 740 CB LYS A 46 14.656 -1.884 0.567 1.00 0.00 C ATOM 741 CG LYS A 46 15.255 -0.773 -0.282 1.00 0.00 C ATOM 742 CD LYS A 46 16.066 -1.395 -1.443 1.00 0.00 C ATOM 743 CE LYS A 46 16.986 -2.512 -1.023 1.00 0.00 C ATOM 744 NZ LYS A 46 17.540 -3.326 -2.131 1.00 0.00 N ATOM 0 H LYS A 46 12.602 -3.198 1.024 1.00 0.00 H new ATOM 0 HA LYS A 46 13.992 -1.558 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.473 -2.402 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.186 -2.604 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.464 -0.135 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.899 -0.141 0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.373 -1.773 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.656 -0.612 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.815 -2.085 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.444 -3.172 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.159 -4.066 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.761 -3.768 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.089 -2.716 -2.769 1.00 0.00 H new ATOM 758 N PHE A 47 14.247 0.789 1.435 1.00 0.00 N ATOM 759 CA PHE A 47 14.068 2.138 0.967 1.00 0.00 C ATOM 760 C PHE A 47 15.425 2.801 0.594 1.00 0.00 C ATOM 761 O PHE A 47 16.419 2.715 1.275 1.00 0.00 O ATOM 762 CB PHE A 47 13.350 3.082 1.937 1.00 0.00 C ATOM 763 CG PHE A 47 13.440 2.784 3.411 1.00 0.00 C ATOM 764 CD1 PHE A 47 14.547 3.134 4.179 1.00 0.00 C ATOM 765 CD2 PHE A 47 12.374 2.141 4.024 1.00 0.00 C ATOM 766 CE1 PHE A 47 14.618 2.856 5.562 1.00 0.00 C ATOM 767 CE2 PHE A 47 12.434 1.865 5.372 1.00 0.00 C ATOM 768 CZ PHE A 47 13.534 2.211 6.151 1.00 0.00 C ATOM 0 H PHE A 47 15.124 0.584 1.914 1.00 0.00 H new ATOM 0 HA PHE A 47 13.427 2.011 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 47 13.740 4.087 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 47 12.295 3.102 1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 47 15.377 3.634 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.504 1.859 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 47 15.485 3.135 6.143 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.600 1.363 5.840 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.547 1.981 7.206 1.00 0.00 H new ATOM 778 N THR A 48 15.368 3.463 -0.536 1.00 0.00 N ATOM 779 CA THR A 48 16.440 4.181 -1.142 1.00 0.00 C ATOM 780 C THR A 48 16.276 5.518 -0.484 1.00 0.00 C ATOM 781 O THR A 48 15.692 6.467 -1.051 1.00 0.00 O ATOM 782 CB THR A 48 16.383 4.399 -2.683 1.00 0.00 C ATOM 783 OG1 THR A 48 16.133 3.147 -3.247 1.00 0.00 O ATOM 784 CG2 THR A 48 17.731 4.980 -3.139 1.00 0.00 C ATOM 0 H THR A 48 14.510 3.512 -1.085 1.00 0.00 H new ATOM 0 HA THR A 48 17.373 3.632 -1.012 1.00 0.00 H new ATOM 0 HB THR A 48 15.604 5.098 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.086 3.231 -4.222 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.712 5.140 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 48 17.907 5.930 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 48 18.531 4.283 -2.890 1.00 0.00 H new ATOM 792 N VAL A 49 16.791 5.586 0.708 1.00 0.00 N ATOM 793 CA VAL A 49 16.743 6.813 1.516 1.00 0.00 C ATOM 794 C VAL A 49 18.050 7.485 1.159 1.00 0.00 C ATOM 795 O VAL A 49 19.017 6.699 1.026 1.00 0.00 O ATOM 796 CB VAL A 49 16.747 6.523 3.004 1.00 0.00 C ATOM 797 CG1 VAL A 49 17.008 7.781 3.821 1.00 0.00 C ATOM 798 CG2 VAL A 49 15.385 6.006 3.451 1.00 0.00 C ATOM 0 H VAL A 49 17.260 4.804 1.166 1.00 0.00 H new ATOM 0 HA VAL A 49 15.843 7.395 1.320 1.00 0.00 H new ATOM 0 HB VAL A 49 17.534 5.787 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 49 17.003 7.533 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.979 8.196 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 49 16.229 8.516 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 49 15.406 5.803 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.623 6.756 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 49 15.150 5.088 2.912 1.00 0.00 H new ATOM 808 N LYS A 50 18.110 8.774 1.012 1.00 0.00 N ATOM 809 CA LYS A 50 19.397 9.371 0.675 1.00 0.00 C ATOM 810 C LYS A 50 20.146 9.383 1.970 1.00 0.00 C ATOM 811 O LYS A 50 20.726 8.322 2.256 1.00 0.00 O ATOM 812 CB LYS A 50 19.321 10.769 0.122 1.00 0.00 C ATOM 813 CG LYS A 50 18.940 10.845 -1.325 1.00 0.00 C ATOM 814 CD LYS A 50 19.206 12.220 -1.854 1.00 0.00 C ATOM 815 CE LYS A 50 20.267 12.139 -2.887 1.00 0.00 C ATOM 816 NZ LYS A 50 19.863 12.897 -4.074 1.00 0.00 N ATOM 0 H LYS A 50 17.328 9.422 1.112 1.00 0.00 H new ATOM 0 HA LYS A 50 19.869 8.795 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.597 11.338 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.289 11.252 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.506 10.110 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.885 10.598 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.296 12.643 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.517 12.882 -1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.203 12.535 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.449 11.098 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.610 12.837 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.981 12.500 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.711 13.893 -3.815 1.00 0.00 H new ATOM 830 N GLU A 51 20.112 10.498 2.665 1.00 0.00 N ATOM 831 CA GLU A 51 20.773 10.693 3.934 1.00 0.00 C ATOM 832 C GLU A 51 22.105 11.385 3.702 1.00 0.00 C ATOM 833 O GLU A 51 23.159 10.936 4.103 1.00 0.00 O ATOM 834 CB GLU A 51 21.083 9.414 4.655 1.00 0.00 C ATOM 835 CG GLU A 51 21.434 9.631 6.125 1.00 0.00 C ATOM 836 CD GLU A 51 21.432 8.409 6.945 1.00 0.00 C ATOM 837 OE1 GLU A 51 20.354 7.995 7.230 1.00 0.00 O ATOM 838 OE2 GLU A 51 22.626 7.843 7.315 1.00 0.00 O ATOM 0 H GLU A 51 19.604 11.324 2.349 1.00 0.00 H new ATOM 0 HA GLU A 51 20.083 11.279 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.224 8.747 4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.915 8.915 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.421 10.091 6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.725 10.340 6.553 1.00 0.00 H new ATOM 845 N SER A 52 21.982 12.509 3.065 1.00 0.00 N ATOM 846 CA SER A 52 23.154 13.312 2.857 1.00 0.00 C ATOM 847 C SER A 52 23.026 14.418 3.917 1.00 0.00 C ATOM 848 O SER A 52 21.955 14.569 4.541 1.00 0.00 O ATOM 849 CB SER A 52 23.173 13.851 1.461 1.00 0.00 C ATOM 850 OG SER A 52 21.854 14.044 1.005 1.00 0.00 O ATOM 0 H SER A 52 21.112 12.885 2.689 1.00 0.00 H new ATOM 0 HA SER A 52 24.090 12.763 2.961 1.00 0.00 H new ATOM 0 HB2 SER A 52 23.719 14.794 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.698 13.160 0.802 1.00 0.00 H new ATOM 0 HG SER A 52 21.356 14.577 1.660 1.00 0.00 H new ATOM 856 N SER A 53 24.038 15.208 4.191 1.00 0.00 N ATOM 857 CA SER A 53 23.854 16.261 5.154 1.00 0.00 C ATOM 858 C SER A 53 24.828 17.402 4.854 1.00 0.00 C ATOM 859 O SER A 53 24.427 18.411 4.300 1.00 0.00 O ATOM 860 CB SER A 53 23.958 15.863 6.623 1.00 0.00 C ATOM 861 OG SER A 53 25.069 15.069 6.919 1.00 0.00 O ATOM 0 H SER A 53 24.967 15.145 3.775 1.00 0.00 H new ATOM 0 HA SER A 53 22.816 16.569 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 53 23.997 16.766 7.232 1.00 0.00 H new ATOM 0 HB3 SER A 53 23.054 15.325 6.908 1.00 0.00 H new ATOM 0 HG SER A 53 25.669 15.557 7.521 1.00 0.00 H new ATOM 867 N ASN A 54 26.068 17.213 5.218 1.00 0.00 N ATOM 868 CA ASN A 54 27.028 18.313 4.931 1.00 0.00 C ATOM 869 C ASN A 54 28.397 17.716 4.828 1.00 0.00 C ATOM 870 O ASN A 54 29.378 18.427 5.046 1.00 0.00 O ATOM 871 CB ASN A 54 27.003 19.335 6.097 1.00 0.00 C ATOM 872 CG ASN A 54 27.040 20.762 5.651 1.00 0.00 C ATOM 873 OD1 ASN A 54 28.035 21.430 5.891 1.00 0.00 O ATOM 874 ND2 ASN A 54 25.967 21.224 5.005 1.00 0.00 N ATOM 0 H ASN A 54 26.444 16.385 5.680 1.00 0.00 H new ATOM 0 HA ASN A 54 26.760 18.820 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 54 26.103 19.173 6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 54 27.854 19.146 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 54 25.945 22.190 4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 54 25.169 20.611 4.838 1.00 0.00 H new ATOM 881 N PHE A 55 28.515 16.451 4.507 1.00 0.00 N ATOM 882 CA PHE A 55 29.873 15.915 4.416 1.00 0.00 C ATOM 883 C PHE A 55 29.961 14.711 3.580 1.00 0.00 C ATOM 884 O PHE A 55 30.744 14.635 2.657 1.00 0.00 O ATOM 885 CB PHE A 55 30.395 15.460 5.777 1.00 0.00 C ATOM 886 CG PHE A 55 29.302 15.232 6.762 1.00 0.00 C ATOM 887 CD1 PHE A 55 28.609 16.258 7.407 1.00 0.00 C ATOM 888 CD2 PHE A 55 28.964 13.914 7.044 1.00 0.00 C ATOM 889 CE1 PHE A 55 27.598 15.974 8.317 1.00 0.00 C ATOM 890 CE2 PHE A 55 27.946 13.627 7.960 1.00 0.00 C ATOM 891 CZ PHE A 55 27.272 14.662 8.590 1.00 0.00 C ATOM 0 H PHE A 55 27.752 15.802 4.314 1.00 0.00 H new ATOM 0 HA PHE A 55 30.450 16.738 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 55 30.966 14.540 5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 55 31.081 16.211 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 55 28.862 17.286 7.196 1.00 0.00 H new ATOM 0 HD2 PHE A 55 29.489 13.108 6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 55 27.070 16.777 8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 55 27.686 12.601 8.176 1.00 0.00 H new ATOM 0 HZ PHE A 55 26.488 14.440 9.298 1.00 0.00 H new ATOM 901 N ARG A 56 29.117 13.751 3.931 1.00 0.00 N ATOM 902 CA ARG A 56 29.064 12.492 3.206 1.00 0.00 C ATOM 903 C ARG A 56 27.683 12.335 2.629 1.00 0.00 C ATOM 904 O ARG A 56 26.779 11.721 3.181 1.00 0.00 O ATOM 905 CB ARG A 56 29.367 11.284 4.074 1.00 0.00 C ATOM 906 CG ARG A 56 30.644 10.541 3.651 1.00 0.00 C ATOM 907 CD ARG A 56 31.140 9.556 4.703 1.00 0.00 C ATOM 908 NE ARG A 56 31.338 10.202 6.008 1.00 0.00 N ATOM 909 CZ ARG A 56 32.449 10.890 6.314 1.00 0.00 C ATOM 910 NH1 ARG A 56 33.434 11.010 5.417 1.00 0.00 N ATOM 911 NH2 ARG A 56 32.579 11.456 7.507 1.00 0.00 N ATOM 0 H ARG A 56 28.463 13.820 4.710 1.00 0.00 H new ATOM 0 HA ARG A 56 29.831 12.530 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 56 29.468 11.605 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 56 28.523 10.595 4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 56 30.454 10.005 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 56 31.429 11.269 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 56 30.422 8.742 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.079 9.113 4.371 1.00 0.00 H new ATOM 0 HE ARG A 56 30.602 10.124 6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 56 33.342 10.578 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 56 34.277 11.534 5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.833 11.369 8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 56 33.425 11.978 7.734 1.00 0.00 H new ATOM 925 N ASN A 57 27.560 12.923 1.474 1.00 0.00 N ATOM 926 CA ASN A 57 26.321 12.899 0.736 1.00 0.00 C ATOM 927 C ASN A 57 26.237 11.446 0.298 1.00 0.00 C ATOM 928 O ASN A 57 27.186 11.005 -0.352 1.00 0.00 O ATOM 929 CB ASN A 57 26.329 13.931 -0.390 1.00 0.00 C ATOM 930 CG ASN A 57 27.028 15.231 0.013 1.00 0.00 C ATOM 931 OD1 ASN A 57 28.242 15.250 0.331 1.00 0.00 O ATOM 932 ND2 ASN A 57 26.247 16.286 -0.009 1.00 0.00 N ATOM 0 H ASN A 57 28.313 13.434 1.014 1.00 0.00 H new ATOM 0 HA ASN A 57 25.434 13.188 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 57 26.828 13.509 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 57 25.303 14.150 -0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 57 26.619 17.201 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 57 25.268 16.190 -0.279 1.00 0.00 H new ATOM 939 N ILE A 58 25.174 10.743 0.628 1.00 0.00 N ATOM 940 CA ILE A 58 25.133 9.377 0.192 1.00 0.00 C ATOM 941 C ILE A 58 23.694 8.894 0.214 1.00 0.00 C ATOM 942 O ILE A 58 22.773 9.651 0.589 1.00 0.00 O ATOM 943 CB ILE A 58 25.876 8.510 1.180 1.00 0.00 C ATOM 944 CG1 ILE A 58 26.696 7.398 0.545 1.00 0.00 C ATOM 945 CG2 ILE A 58 24.965 7.950 2.251 1.00 0.00 C ATOM 946 CD1 ILE A 58 28.040 7.262 1.223 1.00 0.00 C ATOM 0 H ILE A 58 24.373 11.075 1.165 1.00 0.00 H new ATOM 0 HA ILE A 58 25.571 9.316 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 58 26.589 9.188 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 58 26.153 6.456 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 58 26.839 7.607 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 58 25.546 7.334 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 58 24.504 8.770 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 58 24.188 7.343 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 58 28.607 6.460 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 58 28.590 8.198 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 58 27.894 7.029 2.278 1.00 0.00 H new ATOM 958 N ASP A 59 23.578 7.659 -0.188 1.00 0.00 N ATOM 959 CA ASP A 59 22.285 7.040 -0.226 1.00 0.00 C ATOM 960 C ASP A 59 22.420 5.725 0.525 1.00 0.00 C ATOM 961 O ASP A 59 23.235 4.913 0.079 1.00 0.00 O ATOM 962 CB ASP A 59 21.838 6.613 -1.634 1.00 0.00 C ATOM 963 CG ASP A 59 22.935 6.283 -2.578 1.00 0.00 C ATOM 964 OD1 ASP A 59 23.771 7.127 -2.876 1.00 0.00 O ATOM 965 OD2 ASP A 59 22.916 5.059 -3.038 1.00 0.00 O ATOM 0 H ASP A 59 24.353 7.068 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 59 21.574 7.762 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.187 5.744 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.239 7.415 -2.065 1.00 0.00 H new ATOM 970 N VAL A 60 21.690 5.503 1.589 1.00 0.00 N ATOM 971 CA VAL A 60 21.775 4.276 2.337 1.00 0.00 C ATOM 972 C VAL A 60 20.494 3.539 1.978 1.00 0.00 C ATOM 973 O VAL A 60 19.414 4.087 2.206 1.00 0.00 O ATOM 974 CB VAL A 60 21.939 4.482 3.822 1.00 0.00 C ATOM 975 CG1 VAL A 60 22.175 3.148 4.511 1.00 0.00 C ATOM 976 CG2 VAL A 60 23.176 5.323 4.120 1.00 0.00 C ATOM 0 H VAL A 60 21.017 6.172 1.962 1.00 0.00 H new ATOM 0 HA VAL A 60 22.668 3.707 2.079 1.00 0.00 H new ATOM 0 HB VAL A 60 21.032 4.971 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.292 3.308 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 60 21.324 2.491 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 60 23.079 2.687 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 23.273 5.458 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 60 24.062 4.816 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 60 23.078 6.297 3.640 1.00 0.00 H new ATOM 986 N VAL A 61 20.655 2.341 1.437 1.00 0.00 N ATOM 987 CA VAL A 61 19.496 1.547 1.056 1.00 0.00 C ATOM 988 C VAL A 61 19.562 0.129 1.541 1.00 0.00 C ATOM 989 O VAL A 61 20.559 -0.555 1.343 1.00 0.00 O ATOM 990 CB VAL A 61 19.369 1.572 -0.471 1.00 0.00 C ATOM 991 CG1 VAL A 61 20.776 1.769 -1.063 1.00 0.00 C ATOM 992 CG2 VAL A 61 18.791 0.280 -1.021 1.00 0.00 C ATOM 0 H VAL A 61 21.558 1.903 1.254 1.00 0.00 H new ATOM 0 HA VAL A 61 18.621 1.990 1.531 1.00 0.00 H new ATOM 0 HB VAL A 61 18.693 2.382 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.713 1.790 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.193 2.710 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.420 0.946 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.720 0.346 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.439 -0.553 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.798 0.118 -0.602 1.00 0.00 H new ATOM 1002 N PHE A 62 18.490 -0.287 2.174 1.00 0.00 N ATOM 1003 CA PHE A 62 18.432 -1.625 2.685 1.00 0.00 C ATOM 1004 C PHE A 62 16.978 -1.995 2.983 1.00 0.00 C ATOM 1005 O PHE A 62 16.214 -1.093 3.364 1.00 0.00 O ATOM 1006 CB PHE A 62 19.245 -1.837 3.988 1.00 0.00 C ATOM 1007 CG PHE A 62 19.138 -0.744 5.036 1.00 0.00 C ATOM 1008 CD1 PHE A 62 19.741 0.495 4.895 1.00 0.00 C ATOM 1009 CD2 PHE A 62 18.410 -0.978 6.187 1.00 0.00 C ATOM 1010 CE1 PHE A 62 19.609 1.456 5.885 1.00 0.00 C ATOM 1011 CE2 PHE A 62 18.264 -0.037 7.184 1.00 0.00 C ATOM 1012 CZ PHE A 62 18.867 1.203 7.046 1.00 0.00 C ATOM 0 H PHE A 62 17.658 0.279 2.343 1.00 0.00 H new ATOM 0 HA PHE A 62 18.871 -2.256 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 62 18.927 -2.776 4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.295 -1.952 3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 62 20.318 0.714 4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 62 17.935 -1.940 6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 62 20.086 2.417 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.684 -0.265 8.066 1.00 0.00 H new ATOM 0 HZ PHE A 62 18.767 1.956 7.814 1.00 0.00 H new ATOM 1022 N GLU A 63 16.691 -3.254 2.800 1.00 0.00 N ATOM 1023 CA GLU A 63 15.417 -3.903 2.994 1.00 0.00 C ATOM 1024 C GLU A 63 14.654 -3.270 4.138 1.00 0.00 C ATOM 1025 O GLU A 63 13.406 -3.293 4.065 1.00 0.00 O ATOM 1026 CB GLU A 63 15.592 -5.409 3.353 1.00 0.00 C ATOM 1027 CG GLU A 63 15.864 -6.223 2.072 1.00 0.00 C ATOM 1028 CD GLU A 63 16.134 -7.691 2.287 1.00 0.00 C ATOM 1029 OE1 GLU A 63 15.495 -8.169 3.338 1.00 0.00 O ATOM 1030 OE2 GLU A 63 16.865 -8.302 1.539 1.00 0.00 O ATOM 0 H GLU A 63 17.403 -3.912 2.484 1.00 0.00 H new ATOM 0 HA GLU A 63 14.875 -3.794 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.417 -5.532 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.695 -5.781 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.006 -6.122 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.719 -5.785 1.557 1.00 0.00 H new ATOM 1037 N LEU A 64 15.341 -2.733 5.148 1.00 0.00 N ATOM 1038 CA LEU A 64 14.759 -2.102 6.313 1.00 0.00 C ATOM 1039 C LEU A 64 14.795 -3.124 7.469 1.00 0.00 C ATOM 1040 O LEU A 64 14.115 -4.145 7.459 1.00 0.00 O ATOM 1041 CB LEU A 64 13.372 -1.491 6.146 1.00 0.00 C ATOM 1042 CG LEU A 64 12.132 -2.363 6.381 1.00 0.00 C ATOM 1043 CD1 LEU A 64 11.544 -2.060 7.757 1.00 0.00 C ATOM 1044 CD2 LEU A 64 11.031 -1.961 5.376 1.00 0.00 C ATOM 0 H LEU A 64 16.361 -2.731 5.168 1.00 0.00 H new ATOM 0 HA LEU A 64 15.369 -1.223 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.306 -0.639 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.308 -1.098 5.132 1.00 0.00 H new ATOM 0 HG LEU A 64 12.427 -3.408 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.663 -2.681 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.287 -2.274 8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.261 -1.009 7.808 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.147 -2.578 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.773 -0.912 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.395 -2.109 4.359 1.00 0.00 H new ATOM 1056 N GLY A 65 15.616 -2.877 8.505 1.00 0.00 N ATOM 1057 CA GLY A 65 15.747 -3.785 9.662 1.00 0.00 C ATOM 1058 C GLY A 65 16.864 -4.818 9.485 1.00 0.00 C ATOM 1059 O GLY A 65 16.590 -5.999 9.652 1.00 0.00 O ATOM 0 H GLY A 65 16.205 -2.047 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.942 -3.197 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.801 -4.303 9.820 1.00 0.00 H new ATOM 1063 N VAL A 66 18.079 -4.383 9.157 1.00 0.00 N ATOM 1064 CA VAL A 66 19.220 -5.291 8.961 1.00 0.00 C ATOM 1065 C VAL A 66 20.352 -4.753 9.836 1.00 0.00 C ATOM 1066 O VAL A 66 20.752 -3.611 9.618 1.00 0.00 O ATOM 1067 CB VAL A 66 19.613 -5.426 7.501 1.00 0.00 C ATOM 1068 CG1 VAL A 66 18.735 -6.486 6.851 1.00 0.00 C ATOM 1069 CG2 VAL A 66 19.387 -4.104 6.775 1.00 0.00 C ATOM 0 H VAL A 66 18.305 -3.398 9.019 1.00 0.00 H new ATOM 0 HA VAL A 66 18.961 -6.308 9.257 1.00 0.00 H new ATOM 0 HB VAL A 66 20.665 -5.703 7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 66 19.009 -6.591 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 66 18.877 -7.439 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 66 17.689 -6.188 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 66 19.672 -4.210 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.334 -3.829 6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.993 -3.326 7.239 1.00 0.00 H new ATOM 1079 N ASP A 67 20.840 -5.537 10.779 1.00 0.00 N ATOM 1080 CA ASP A 67 21.913 -5.098 11.652 1.00 0.00 C ATOM 1081 C ASP A 67 23.224 -4.851 11.011 1.00 0.00 C ATOM 1082 O ASP A 67 23.701 -5.726 10.249 1.00 0.00 O ATOM 1083 CB ASP A 67 22.001 -5.955 12.947 1.00 0.00 C ATOM 1084 CG ASP A 67 21.692 -7.382 12.729 1.00 0.00 C ATOM 1085 OD1 ASP A 67 21.920 -7.778 11.492 1.00 0.00 O ATOM 1086 OD2 ASP A 67 21.268 -8.149 13.569 1.00 0.00 O ATOM 0 H ASP A 67 20.509 -6.485 10.961 1.00 0.00 H new ATOM 0 HA ASP A 67 21.616 -4.092 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.004 -5.868 13.364 1.00 0.00 H new ATOM 0 HB3 ASP A 67 21.312 -5.551 13.688 1.00 0.00 H new ATOM 1091 N PHE A 68 23.846 -3.695 11.274 1.00 0.00 N ATOM 1092 CA PHE A 68 25.129 -3.314 10.718 1.00 0.00 C ATOM 1093 C PHE A 68 25.969 -2.468 11.677 1.00 0.00 C ATOM 1094 O PHE A 68 25.495 -1.366 11.988 1.00 0.00 O ATOM 1095 CB PHE A 68 25.082 -2.517 9.364 1.00 0.00 C ATOM 1096 CG PHE A 68 24.140 -2.992 8.327 1.00 0.00 C ATOM 1097 CD1 PHE A 68 24.257 -4.252 7.743 1.00 0.00 C ATOM 1098 CD2 PHE A 68 23.111 -2.149 7.924 1.00 0.00 C ATOM 1099 CE1 PHE A 68 23.348 -4.665 6.762 1.00 0.00 C ATOM 1100 CE2 PHE A 68 22.203 -2.560 6.942 1.00 0.00 C ATOM 1101 CZ PHE A 68 22.333 -3.811 6.372 1.00 0.00 C ATOM 0 H PHE A 68 23.453 -2.989 11.896 1.00 0.00 H new ATOM 0 HA PHE A 68 25.578 -4.290 10.535 1.00 0.00 H new ATOM 0 HB2 PHE A 68 24.837 -1.480 9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 68 26.084 -2.521 8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 68 25.054 -4.914 8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 68 23.012 -1.171 8.371 1.00 0.00 H new ATOM 0 HE1 PHE A 68 23.439 -5.643 6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.405 -1.902 6.631 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.633 -4.126 5.612 1.00 0.00 H new ATOM 1111 N ALA A 69 27.112 -2.972 12.068 1.00 0.00 N ATOM 1112 CA ALA A 69 27.975 -2.200 12.960 1.00 0.00 C ATOM 1113 C ALA A 69 28.624 -1.093 12.114 1.00 0.00 C ATOM 1114 O ALA A 69 29.805 -1.076 11.813 1.00 0.00 O ATOM 1115 CB ALA A 69 29.093 -3.047 13.488 1.00 0.00 C ATOM 0 H ALA A 69 27.470 -3.888 11.798 1.00 0.00 H new ATOM 0 HA ALA A 69 27.382 -1.817 13.790 1.00 0.00 H new ATOM 0 HB1 ALA A 69 29.721 -2.450 14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.680 -3.890 14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.692 -3.419 12.657 1.00 0.00 H new ATOM 1121 N TYR A 70 27.738 -0.166 11.750 1.00 0.00 N ATOM 1122 CA TYR A 70 28.075 0.991 10.949 1.00 0.00 C ATOM 1123 C TYR A 70 27.786 2.199 11.814 1.00 0.00 C ATOM 1124 O TYR A 70 26.639 2.474 12.048 1.00 0.00 O ATOM 1125 CB TYR A 70 27.182 1.150 9.704 1.00 0.00 C ATOM 1126 CG TYR A 70 27.235 2.572 9.140 1.00 0.00 C ATOM 1127 CD1 TYR A 70 28.432 3.299 9.181 1.00 0.00 C ATOM 1128 CD2 TYR A 70 26.149 3.257 8.558 1.00 0.00 C ATOM 1129 CE1 TYR A 70 28.520 4.613 8.670 1.00 0.00 C ATOM 1130 CE2 TYR A 70 26.234 4.565 8.054 1.00 0.00 C ATOM 1131 CZ TYR A 70 27.435 5.259 8.107 1.00 0.00 C ATOM 1132 OH TYR A 70 27.538 6.533 7.623 1.00 0.00 O ATOM 0 H TYR A 70 26.753 -0.207 12.012 1.00 0.00 H new ATOM 0 HA TYR A 70 29.110 0.886 10.622 1.00 0.00 H new ATOM 0 HB2 TYR A 70 27.500 0.443 8.937 1.00 0.00 H new ATOM 0 HB3 TYR A 70 26.153 0.900 9.961 1.00 0.00 H new ATOM 0 HD1 TYR A 70 29.310 2.843 9.614 1.00 0.00 H new ATOM 0 HD2 TYR A 70 25.199 2.747 8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 70 29.467 5.130 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 70 25.361 5.033 7.623 1.00 0.00 H new ATOM 0 HH TYR A 70 26.671 6.818 7.265 1.00 0.00 H new ATOM 1142 N SER A 71 28.882 2.845 12.232 1.00 0.00 N ATOM 1143 CA SER A 71 28.753 3.998 13.051 1.00 0.00 C ATOM 1144 C SER A 71 27.859 5.077 12.449 1.00 0.00 C ATOM 1145 O SER A 71 27.764 5.315 11.252 1.00 0.00 O ATOM 1146 CB SER A 71 30.055 4.761 13.264 1.00 0.00 C ATOM 1147 OG SER A 71 30.299 5.772 12.311 1.00 0.00 O ATOM 0 H SER A 71 29.840 2.575 12.008 1.00 0.00 H new ATOM 0 HA SER A 71 28.357 3.561 13.968 1.00 0.00 H new ATOM 0 HB2 SER A 71 30.041 5.210 14.257 1.00 0.00 H new ATOM 0 HB3 SER A 71 30.884 4.054 13.246 1.00 0.00 H new ATOM 0 HG SER A 71 31.253 5.995 12.307 1.00 0.00 H new ATOM 1153 N LEU A 72 27.194 5.726 13.373 1.00 0.00 N ATOM 1154 CA LEU A 72 26.266 6.806 13.092 1.00 0.00 C ATOM 1155 C LEU A 72 27.214 7.981 12.769 1.00 0.00 C ATOM 1156 O LEU A 72 27.607 8.707 13.723 1.00 0.00 O ATOM 1157 CB LEU A 72 25.455 7.097 14.341 1.00 0.00 C ATOM 1158 CG LEU A 72 24.366 8.166 14.191 1.00 0.00 C ATOM 1159 CD1 LEU A 72 24.859 9.444 13.546 1.00 0.00 C ATOM 1160 CD2 LEU A 72 23.229 7.603 13.375 1.00 0.00 C ATOM 0 H LEU A 72 27.282 5.516 14.367 1.00 0.00 H new ATOM 0 HA LEU A 72 25.554 6.599 12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.986 6.170 14.672 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.138 7.408 15.131 1.00 0.00 H new ATOM 0 HG LEU A 72 24.039 8.428 15.197 1.00 0.00 H new ATOM 0 HD11 LEU A 72 24.036 10.155 13.472 1.00 0.00 H new ATOM 0 HD12 LEU A 72 25.656 9.874 14.153 1.00 0.00 H new ATOM 0 HD13 LEU A 72 25.240 9.225 12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.451 8.359 13.265 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.596 7.314 12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 72 22.817 6.729 13.880 1.00 0.00 H new ATOM 1172 N ALA A 73 27.543 8.127 11.483 1.00 0.00 N ATOM 1173 CA ALA A 73 28.409 9.129 10.903 1.00 0.00 C ATOM 1174 C ALA A 73 29.474 9.615 11.863 1.00 0.00 C ATOM 1175 O ALA A 73 29.387 10.753 12.316 1.00 0.00 O ATOM 1176 CB ALA A 73 27.647 10.321 10.282 1.00 0.00 C ATOM 0 H ALA A 73 27.176 7.492 10.774 1.00 0.00 H new ATOM 0 HA ALA A 73 28.911 8.613 10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 73 28.361 11.032 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.991 9.960 9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 73 27.051 10.812 11.051 1.00 0.00 H new ATOM 1182 N ASP A 74 30.454 8.755 12.159 1.00 0.00 N ATOM 1183 CA ASP A 74 31.541 9.077 13.058 1.00 0.00 C ATOM 1184 C ASP A 74 31.199 8.773 14.523 1.00 0.00 C ATOM 1185 O ASP A 74 31.732 9.444 15.403 1.00 0.00 O ATOM 1186 CB ASP A 74 32.193 10.412 12.951 1.00 0.00 C ATOM 1187 CG ASP A 74 32.622 10.629 11.501 1.00 0.00 C ATOM 1188 OD1 ASP A 74 31.715 11.017 10.658 1.00 0.00 O ATOM 1189 OD2 ASP A 74 33.824 10.448 11.078 1.00 0.00 O ATOM 0 H ASP A 74 30.506 7.812 11.773 1.00 0.00 H new ATOM 0 HA ASP A 74 32.307 8.398 12.685 1.00 0.00 H new ATOM 0 HB2 ASP A 74 31.503 11.196 13.263 1.00 0.00 H new ATOM 0 HB3 ASP A 74 33.057 10.465 13.613 1.00 0.00 H new ATOM 1194 N GLY A 75 30.337 7.789 14.728 1.00 0.00 N ATOM 1195 CA GLY A 75 29.927 7.397 16.087 1.00 0.00 C ATOM 1196 C GLY A 75 30.333 5.957 16.519 1.00 0.00 C ATOM 1197 O GLY A 75 29.581 5.359 17.283 1.00 0.00 O ATOM 0 H GLY A 75 29.904 7.244 13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 75 30.356 8.105 16.796 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.843 7.488 16.162 1.00 0.00 H new ATOM 1201 N THR A 76 31.438 5.456 16.055 1.00 0.00 N ATOM 1202 CA THR A 76 31.854 4.115 16.427 1.00 0.00 C ATOM 1203 C THR A 76 30.968 3.025 15.861 1.00 0.00 C ATOM 1204 O THR A 76 31.508 2.174 15.136 1.00 0.00 O ATOM 1205 CB THR A 76 31.991 4.013 17.969 1.00 0.00 C ATOM 1206 OG1 THR A 76 33.291 3.594 18.262 1.00 0.00 O ATOM 1207 CG2 THR A 76 31.004 3.097 18.658 1.00 0.00 C ATOM 0 H THR A 76 32.072 5.943 15.421 1.00 0.00 H new ATOM 0 HA THR A 76 32.830 3.943 15.973 1.00 0.00 H new ATOM 0 HB THR A 76 31.767 5.006 18.358 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.401 3.524 19.233 1.00 0.00 H new ATOM 0 HG21 THR A 76 31.191 3.102 19.732 1.00 0.00 H new ATOM 0 HG22 THR A 76 29.989 3.445 18.465 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.119 2.083 18.274 1.00 0.00 H new ATOM 1215 N GLU A 77 29.682 2.984 16.136 1.00 0.00 N ATOM 1216 CA GLU A 77 28.867 1.904 15.577 1.00 0.00 C ATOM 1217 C GLU A 77 27.353 2.084 15.779 1.00 0.00 C ATOM 1218 O GLU A 77 26.964 2.716 16.738 1.00 0.00 O ATOM 1219 CB GLU A 77 29.112 0.618 16.414 1.00 0.00 C ATOM 1220 CG GLU A 77 30.089 -0.426 15.874 1.00 0.00 C ATOM 1221 CD GLU A 77 31.326 -0.635 16.699 1.00 0.00 C ATOM 1222 OE1 GLU A 77 31.869 0.435 17.191 1.00 0.00 O ATOM 1223 OE2 GLU A 77 31.812 -1.722 16.911 1.00 0.00 O ATOM 0 H GLU A 77 29.184 3.655 16.720 1.00 0.00 H new ATOM 0 HA GLU A 77 29.138 1.877 14.522 1.00 0.00 H new ATOM 0 HB2 GLU A 77 29.465 0.925 17.399 1.00 0.00 H new ATOM 0 HB3 GLU A 77 28.149 0.128 16.559 1.00 0.00 H new ATOM 0 HG2 GLU A 77 29.566 -1.378 15.786 1.00 0.00 H new ATOM 0 HG3 GLU A 77 30.389 -0.133 14.868 1.00 0.00 H new ATOM 1230 N LEU A 78 26.540 1.515 14.913 1.00 0.00 N ATOM 1231 CA LEU A 78 25.094 1.622 15.092 1.00 0.00 C ATOM 1232 C LEU A 78 24.515 0.258 14.636 1.00 0.00 C ATOM 1233 O LEU A 78 23.605 0.116 13.814 1.00 0.00 O ATOM 1234 CB LEU A 78 24.462 2.722 14.221 1.00 0.00 C ATOM 1235 CG LEU A 78 23.580 3.697 15.022 1.00 0.00 C ATOM 1236 CD1 LEU A 78 22.566 4.342 14.066 1.00 0.00 C ATOM 1237 CD2 LEU A 78 22.745 2.888 15.973 1.00 0.00 C ATOM 0 H LEU A 78 26.839 0.984 14.095 1.00 0.00 H new ATOM 0 HA LEU A 78 24.877 1.874 16.130 1.00 0.00 H new ATOM 0 HB2 LEU A 78 25.254 3.283 13.724 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.861 2.257 13.439 1.00 0.00 H new ATOM 0 HG LEU A 78 24.210 4.433 15.521 1.00 0.00 H new ATOM 0 HD11 LEU A 78 21.934 5.036 14.620 1.00 0.00 H new ATOM 0 HD12 LEU A 78 23.097 4.882 13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.946 3.567 13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.108 3.554 16.555 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.123 2.192 15.410 1.00 0.00 H new ATOM 0 HD23 LEU A 78 23.397 2.330 16.645 1.00 0.00 H new ATOM 1249 N THR A 79 25.122 -0.734 15.240 1.00 0.00 N ATOM 1250 CA THR A 79 24.749 -2.148 14.976 1.00 0.00 C ATOM 1251 C THR A 79 23.362 -2.311 15.575 1.00 0.00 C ATOM 1252 O THR A 79 23.044 -2.766 16.666 1.00 0.00 O ATOM 1253 CB THR A 79 25.675 -3.301 15.393 1.00 0.00 C ATOM 1254 OG1 THR A 79 25.672 -4.197 14.294 1.00 0.00 O ATOM 1255 CG2 THR A 79 25.423 -4.012 16.707 1.00 0.00 C ATOM 0 H THR A 79 25.875 -0.615 15.918 1.00 0.00 H new ATOM 0 HA THR A 79 24.825 -2.268 13.895 1.00 0.00 H new ATOM 0 HB THR A 79 26.646 -2.859 15.619 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.250 -4.962 14.494 1.00 0.00 H new ATOM 0 HG21 THR A 79 26.167 -4.797 16.845 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.494 -3.297 17.527 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.427 -4.454 16.696 1.00 0.00 H new ATOM 1263 N GLY A 80 22.400 -1.866 14.761 1.00 0.00 N ATOM 1264 CA GLY A 80 21.002 -1.877 15.059 1.00 0.00 C ATOM 1265 C GLY A 80 20.264 -2.083 13.721 1.00 0.00 C ATOM 1266 O GLY A 80 20.906 -2.051 12.690 1.00 0.00 O ATOM 0 H GLY A 80 22.605 -1.475 13.841 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.762 -2.677 15.760 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.699 -0.941 15.528 1.00 0.00 H new ATOM 1270 N THR A 81 18.985 -2.271 13.906 1.00 0.00 N ATOM 1271 CA THR A 81 18.154 -2.483 12.714 1.00 0.00 C ATOM 1272 C THR A 81 17.101 -1.422 12.534 1.00 0.00 C ATOM 1273 O THR A 81 15.970 -1.549 12.963 1.00 0.00 O ATOM 1274 CB THR A 81 17.398 -3.811 12.969 1.00 0.00 C ATOM 1275 OG1 THR A 81 16.574 -3.718 14.136 1.00 0.00 O ATOM 1276 CG2 THR A 81 18.358 -4.978 13.201 1.00 0.00 C ATOM 0 H THR A 81 18.503 -2.285 14.805 1.00 0.00 H new ATOM 0 HA THR A 81 18.794 -2.475 11.832 1.00 0.00 H new ATOM 0 HB THR A 81 16.797 -3.988 12.077 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.929 -2.989 14.024 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.787 -5.890 13.376 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.991 -5.109 12.323 1.00 0.00 H new ATOM 0 HG23 THR A 81 18.982 -4.769 14.070 1.00 0.00 H new ATOM 1284 N TRP A 82 17.556 -0.370 11.875 1.00 0.00 N ATOM 1285 CA TRP A 82 16.657 0.715 11.638 1.00 0.00 C ATOM 1286 C TRP A 82 15.541 0.041 10.787 1.00 0.00 C ATOM 1287 O TRP A 82 15.848 -0.724 9.859 1.00 0.00 O ATOM 1288 CB TRP A 82 17.091 1.855 10.702 1.00 0.00 C ATOM 1289 CG TRP A 82 18.369 2.548 10.914 1.00 0.00 C ATOM 1290 CD1 TRP A 82 19.577 2.075 11.296 1.00 0.00 C ATOM 1291 CD2 TRP A 82 18.540 3.957 10.727 1.00 0.00 C ATOM 1292 NE1 TRP A 82 20.444 3.130 11.345 1.00 0.00 N ATOM 1293 CE2 TRP A 82 19.878 4.324 11.010 1.00 0.00 C ATOM 1294 CE3 TRP A 82 17.685 5.011 10.339 1.00 0.00 C ATOM 1295 CZ2 TRP A 82 20.307 5.631 10.914 1.00 0.00 C ATOM 1296 CZ3 TRP A 82 18.106 6.308 10.251 1.00 0.00 C ATOM 1297 CH2 TRP A 82 19.423 6.614 10.537 1.00 0.00 C ATOM 0 H TRP A 82 18.503 -0.256 11.513 1.00 0.00 H new ATOM 0 HA TRP A 82 16.465 1.160 12.614 1.00 0.00 H new ATOM 0 HB2 TRP A 82 17.108 1.451 9.690 1.00 0.00 H new ATOM 0 HB3 TRP A 82 16.306 2.611 10.731 1.00 0.00 H new ATOM 0 HD1 TRP A 82 19.814 1.046 11.522 1.00 0.00 H new ATOM 0 HE1 TRP A 82 21.425 3.033 11.608 1.00 0.00 H new ATOM 0 HE3 TRP A 82 16.656 4.783 10.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 21.334 5.882 11.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 17.416 7.087 9.961 1.00 0.00 H new ATOM 0 HH2 TRP A 82 19.762 7.637 10.463 1.00 0.00 H new ATOM 1308 N THR A 83 14.334 0.398 11.157 1.00 0.00 N ATOM 1309 CA THR A 83 13.100 -0.022 10.518 1.00 0.00 C ATOM 1310 C THR A 83 12.159 1.167 10.732 1.00 0.00 C ATOM 1311 O THR A 83 12.454 2.089 11.447 1.00 0.00 O ATOM 1312 CB THR A 83 12.354 -1.239 11.050 1.00 0.00 C ATOM 1313 OG1 THR A 83 12.295 -1.168 12.427 1.00 0.00 O ATOM 1314 CG2 THR A 83 13.086 -2.531 10.619 1.00 0.00 C ATOM 0 H THR A 83 14.173 1.019 11.950 1.00 0.00 H new ATOM 0 HA THR A 83 13.377 -0.313 9.505 1.00 0.00 H new ATOM 0 HB THR A 83 11.343 -1.255 10.644 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.814 -1.948 12.774 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.549 -3.399 11.002 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.127 -2.580 9.531 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.100 -2.526 11.020 1.00 0.00 H new ATOM 1322 N MET A 84 11.037 1.088 10.083 1.00 0.00 N ATOM 1323 CA MET A 84 10.000 2.105 10.171 1.00 0.00 C ATOM 1324 C MET A 84 8.726 1.274 10.312 1.00 0.00 C ATOM 1325 O MET A 84 8.831 0.180 10.849 1.00 0.00 O ATOM 1326 CB MET A 84 10.033 2.815 8.811 1.00 0.00 C ATOM 1327 CG MET A 84 9.749 1.875 7.627 1.00 0.00 C ATOM 1328 SD MET A 84 9.203 2.632 6.094 1.00 0.00 S ATOM 1329 CE MET A 84 8.431 4.147 6.646 1.00 0.00 C ATOM 0 H MET A 84 10.800 0.311 9.466 1.00 0.00 H new ATOM 0 HA MET A 84 10.094 2.837 10.973 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.298 3.620 8.811 1.00 0.00 H new ATOM 0 HB3 MET A 84 11.011 3.276 8.673 1.00 0.00 H new ATOM 0 HG2 MET A 84 10.657 1.308 7.420 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.990 1.158 7.939 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.816 4.555 5.844 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.805 3.941 7.515 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.201 4.870 6.916 1.00 0.00 H new ATOM 1339 N GLU A 85 7.620 1.807 9.825 1.00 0.00 N ATOM 1340 CA GLU A 85 6.377 1.030 9.910 1.00 0.00 C ATOM 1341 C GLU A 85 5.296 1.767 9.222 1.00 0.00 C ATOM 1342 O GLU A 85 4.156 1.781 9.684 1.00 0.00 O ATOM 1343 CB GLU A 85 6.083 0.816 11.413 1.00 0.00 C ATOM 1344 CG GLU A 85 5.619 -0.614 11.689 1.00 0.00 C ATOM 1345 CD GLU A 85 4.481 -0.824 12.642 1.00 0.00 C ATOM 1346 OE1 GLU A 85 4.206 0.017 13.471 1.00 0.00 O ATOM 1347 OE2 GLU A 85 3.849 -1.956 12.486 1.00 0.00 O ATOM 0 H GLU A 85 7.545 2.725 9.387 1.00 0.00 H new ATOM 0 HA GLU A 85 6.459 0.060 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.980 1.029 11.995 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.317 1.519 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.340 -1.062 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.475 -1.174 12.066 1.00 0.00 H new ATOM 1354 N GLY A 86 5.708 2.371 8.113 1.00 0.00 N ATOM 1355 CA GLY A 86 4.835 3.141 7.293 1.00 0.00 C ATOM 1356 C GLY A 86 4.625 4.370 8.158 1.00 0.00 C ATOM 1357 O GLY A 86 5.208 5.388 7.830 1.00 0.00 O ATOM 0 H GLY A 86 6.668 2.328 7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.285 3.387 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.901 2.620 7.084 1.00 0.00 H new ATOM 1361 N ASN A 87 3.830 4.255 9.197 1.00 0.00 N ATOM 1362 CA ASN A 87 3.599 5.373 10.034 1.00 0.00 C ATOM 1363 C ASN A 87 4.852 5.864 10.703 1.00 0.00 C ATOM 1364 O ASN A 87 4.856 6.943 11.294 1.00 0.00 O ATOM 1365 CB ASN A 87 2.310 5.277 10.841 1.00 0.00 C ATOM 1366 CG ASN A 87 1.837 6.659 11.170 1.00 0.00 C ATOM 1367 OD1 ASN A 87 2.266 7.281 12.147 1.00 0.00 O ATOM 1368 ND2 ASN A 87 0.928 7.203 10.367 1.00 0.00 N ATOM 0 H ASN A 87 3.344 3.400 9.468 1.00 0.00 H new ATOM 0 HA ASN A 87 3.353 6.231 9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.548 4.744 10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.480 4.709 11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.578 8.143 10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.580 6.681 9.563 1.00 0.00 H new ATOM 1375 N LYS A 88 5.952 5.141 10.659 1.00 0.00 N ATOM 1376 CA LYS A 88 7.067 5.711 11.333 1.00 0.00 C ATOM 1377 C LYS A 88 8.351 4.872 11.235 1.00 0.00 C ATOM 1378 O LYS A 88 8.222 3.710 11.517 1.00 0.00 O ATOM 1379 CB LYS A 88 6.966 5.771 12.846 1.00 0.00 C ATOM 1380 CG LYS A 88 6.175 4.697 13.507 1.00 0.00 C ATOM 1381 CD LYS A 88 5.447 5.361 14.670 1.00 0.00 C ATOM 1382 CE LYS A 88 5.940 4.831 15.982 1.00 0.00 C ATOM 1383 NZ LYS A 88 5.277 3.582 16.318 1.00 0.00 N ATOM 0 H LYS A 88 6.084 4.238 10.204 1.00 0.00 H new ATOM 0 HA LYS A 88 7.083 6.683 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.976 5.751 13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.530 6.732 13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.467 4.249 12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.825 3.896 13.860 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.597 6.440 14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.375 5.185 14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.018 4.674 15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.760 5.566 16.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.634 3.234 17.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.251 3.741 16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.470 2.877 15.579 1.00 0.00 H new ATOM 1397 N LEU A 89 9.418 5.557 10.893 1.00 0.00 N ATOM 1398 CA LEU A 89 10.758 5.024 10.815 1.00 0.00 C ATOM 1399 C LEU A 89 11.040 4.646 12.282 1.00 0.00 C ATOM 1400 O LEU A 89 10.183 4.691 13.151 1.00 0.00 O ATOM 1401 CB LEU A 89 11.736 6.150 10.353 1.00 0.00 C ATOM 1402 CG LEU A 89 12.682 5.802 9.182 1.00 0.00 C ATOM 1403 CD1 LEU A 89 13.683 6.949 9.025 1.00 0.00 C ATOM 1404 CD2 LEU A 89 13.515 4.566 9.486 1.00 0.00 C ATOM 0 H LEU A 89 9.373 6.547 10.650 1.00 0.00 H new ATOM 0 HA LEU A 89 10.874 4.194 10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.145 7.020 10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.345 6.445 11.208 1.00 0.00 H new ATOM 0 HG LEU A 89 12.071 5.634 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.364 6.728 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.146 7.874 8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.253 7.064 9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.169 4.351 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.119 4.744 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.855 3.716 9.660 1.00 0.00 H new ATOM 1416 N VAL A 90 12.282 4.263 12.586 1.00 0.00 N ATOM 1417 CA VAL A 90 12.657 3.942 13.923 1.00 0.00 C ATOM 1418 C VAL A 90 14.117 4.274 14.217 1.00 0.00 C ATOM 1419 O VAL A 90 14.405 4.543 15.376 1.00 0.00 O ATOM 1420 CB VAL A 90 12.449 2.434 14.241 1.00 0.00 C ATOM 1421 CG1 VAL A 90 12.515 2.180 15.734 1.00 0.00 C ATOM 1422 CG2 VAL A 90 11.090 1.943 13.824 1.00 0.00 C ATOM 0 H VAL A 90 13.035 4.174 11.903 1.00 0.00 H new ATOM 0 HA VAL A 90 12.008 4.553 14.550 1.00 0.00 H new ATOM 0 HB VAL A 90 13.238 1.917 13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.366 1.118 15.929 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.491 2.486 16.112 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.735 2.754 16.235 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.995 0.885 14.068 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.321 2.507 14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.967 2.080 12.750 1.00 0.00 H new ATOM 1432 N GLY A 91 15.041 4.239 13.263 1.00 0.00 N ATOM 1433 CA GLY A 91 16.431 4.492 13.396 1.00 0.00 C ATOM 1434 C GLY A 91 17.176 3.340 14.084 1.00 0.00 C ATOM 1435 O GLY A 91 18.255 2.898 13.677 1.00 0.00 O ATOM 0 H GLY A 91 14.792 4.011 12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.862 4.661 12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.577 5.408 13.969 1.00 0.00 H new ATOM 1439 N LYS A 92 16.554 2.879 15.121 1.00 0.00 N ATOM 1440 CA LYS A 92 17.004 1.781 15.935 1.00 0.00 C ATOM 1441 C LYS A 92 18.409 1.945 16.385 1.00 0.00 C ATOM 1442 O LYS A 92 18.889 3.069 16.321 1.00 0.00 O ATOM 1443 CB LYS A 92 16.741 0.466 15.229 1.00 0.00 C ATOM 1444 CG LYS A 92 15.227 0.242 15.349 1.00 0.00 C ATOM 1445 CD LYS A 92 14.936 -0.132 16.799 1.00 0.00 C ATOM 1446 CE LYS A 92 13.931 -1.259 16.896 1.00 0.00 C ATOM 1447 NZ LYS A 92 14.600 -2.513 16.556 1.00 0.00 N ATOM 0 H LYS A 92 15.672 3.275 15.445 1.00 0.00 H new ATOM 0 HA LYS A 92 16.422 1.774 16.856 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.051 0.510 14.185 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.298 -0.348 15.693 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.682 1.143 15.068 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.901 -0.551 14.675 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.862 -0.427 17.291 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.557 0.741 17.331 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.518 -1.312 17.903 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.096 -1.080 16.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.964 -3.100 15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.467 -2.309 16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.846 -3.023 17.428 1.00 0.00 H new ATOM 1461 N PHE A 93 19.039 0.862 16.870 1.00 0.00 N ATOM 1462 CA PHE A 93 20.363 0.996 17.422 1.00 0.00 C ATOM 1463 C PHE A 93 20.927 -0.293 18.041 1.00 0.00 C ATOM 1464 O PHE A 93 20.426 -1.370 17.744 1.00 0.00 O ATOM 1465 CB PHE A 93 20.088 1.783 18.748 1.00 0.00 C ATOM 1466 CG PHE A 93 18.772 1.399 19.344 1.00 0.00 C ATOM 1467 CD1 PHE A 93 18.655 0.066 19.769 1.00 0.00 C ATOM 1468 CD2 PHE A 93 17.681 2.203 19.532 1.00 0.00 C ATOM 1469 CE1 PHE A 93 17.532 -0.476 20.365 1.00 0.00 C ATOM 1470 CE2 PHE A 93 16.545 1.677 20.137 1.00 0.00 C ATOM 1471 CZ PHE A 93 16.453 0.342 20.557 1.00 0.00 C ATOM 0 H PHE A 93 18.653 -0.082 16.884 1.00 0.00 H new ATOM 0 HA PHE A 93 21.019 1.383 16.642 1.00 0.00 H new ATOM 0 HB2 PHE A 93 20.886 1.584 19.464 1.00 0.00 H new ATOM 0 HB3 PHE A 93 20.100 2.854 18.547 1.00 0.00 H new ATOM 0 HD1 PHE A 93 19.505 -0.583 19.619 1.00 0.00 H new ATOM 0 HD2 PHE A 93 17.702 3.235 19.214 1.00 0.00 H new ATOM 0 HE1 PHE A 93 17.507 -1.512 20.669 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.695 2.326 20.290 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.552 -0.031 21.021 1.00 0.00 H new ATOM 1481 N LYS A 94 21.868 0.098 18.854 1.00 0.00 N ATOM 1482 CA LYS A 94 22.716 -0.597 19.810 1.00 0.00 C ATOM 1483 C LYS A 94 24.087 -0.454 19.234 1.00 0.00 C ATOM 1484 O LYS A 94 24.502 -1.344 18.529 1.00 0.00 O ATOM 1485 CB LYS A 94 22.389 -2.030 20.043 1.00 0.00 C ATOM 1486 CG LYS A 94 21.625 -1.836 21.349 1.00 0.00 C ATOM 1487 CD LYS A 94 21.002 -2.997 22.040 1.00 0.00 C ATOM 1488 CE LYS A 94 19.698 -3.452 21.408 1.00 0.00 C ATOM 1489 NZ LYS A 94 19.017 -4.454 22.225 1.00 0.00 N ATOM 0 H LYS A 94 22.104 1.090 18.867 1.00 0.00 H new ATOM 0 HA LYS A 94 22.587 -0.162 20.801 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.781 -2.466 19.250 1.00 0.00 H new ATOM 0 HB3 LYS A 94 23.272 -2.660 20.151 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.311 -1.371 22.057 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.832 -1.115 21.153 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.706 -3.829 22.041 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.819 -2.734 23.082 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.043 -2.592 21.268 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.898 -3.865 20.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.132 -4.738 21.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 19.631 -5.286 22.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.803 -4.052 23.160 1.00 0.00 H new ATOM 1503 N ARG A 95 24.635 0.681 19.572 1.00 0.00 N ATOM 1504 CA ARG A 95 25.948 0.993 19.122 1.00 0.00 C ATOM 1505 C ARG A 95 26.851 -0.106 19.726 1.00 0.00 C ATOM 1506 O ARG A 95 26.449 -1.175 20.065 1.00 0.00 O ATOM 1507 CB ARG A 95 26.547 2.253 19.699 1.00 0.00 C ATOM 1508 CG ARG A 95 25.658 3.394 20.073 1.00 0.00 C ATOM 1509 CD ARG A 95 24.538 3.759 19.136 1.00 0.00 C ATOM 1510 NE ARG A 95 25.074 4.001 17.784 1.00 0.00 N ATOM 1511 CZ ARG A 95 25.905 5.031 17.496 1.00 0.00 C ATOM 1512 NH1 ARG A 95 26.322 5.920 18.381 1.00 0.00 N ATOM 1513 NH2 ARG A 95 26.377 5.211 16.245 1.00 0.00 N ATOM 0 H ARG A 95 24.192 1.394 20.152 1.00 0.00 H new ATOM 0 HA ARG A 95 25.890 1.088 18.038 1.00 0.00 H new ATOM 0 HB2 ARG A 95 27.104 1.969 20.592 1.00 0.00 H new ATOM 0 HB3 ARG A 95 27.272 2.629 18.977 1.00 0.00 H new ATOM 0 HG2 ARG A 95 25.219 3.170 21.045 1.00 0.00 H new ATOM 0 HG3 ARG A 95 26.285 4.276 20.202 1.00 0.00 H new ATOM 0 HD2 ARG A 95 23.801 2.957 19.106 1.00 0.00 H new ATOM 0 HD3 ARG A 95 24.025 4.650 19.498 1.00 0.00 H new ATOM 0 HE ARG A 95 24.807 3.365 17.033 1.00 0.00 H new ATOM 0 HH11 ARG A 95 26.017 5.855 19.352 1.00 0.00 H new ATOM 0 HH12 ARG A 95 26.949 6.671 18.093 1.00 0.00 H new ATOM 0 HH21 ARG A 95 26.109 4.567 15.501 1.00 0.00 H new ATOM 0 HH22 ARG A 95 27.002 5.991 16.043 1.00 0.00 H new ATOM 1527 N VAL A 96 28.070 0.231 19.876 1.00 0.00 N ATOM 1528 CA VAL A 96 29.116 -0.608 20.435 1.00 0.00 C ATOM 1529 C VAL A 96 29.880 0.238 21.461 1.00 0.00 C ATOM 1530 O VAL A 96 30.322 -0.398 22.430 1.00 0.00 O ATOM 1531 CB VAL A 96 29.951 -1.059 19.275 1.00 0.00 C ATOM 1532 CG1 VAL A 96 31.329 -1.568 19.762 1.00 0.00 C ATOM 1533 CG2 VAL A 96 29.165 -2.114 18.502 1.00 0.00 C ATOM 0 H VAL A 96 28.412 1.152 19.603 1.00 0.00 H new ATOM 0 HA VAL A 96 28.757 -1.494 20.959 1.00 0.00 H new ATOM 0 HB VAL A 96 30.161 -0.228 18.602 1.00 0.00 H new ATOM 0 HG11 VAL A 96 31.921 -1.891 18.906 1.00 0.00 H new ATOM 0 HG12 VAL A 96 31.851 -0.764 20.281 1.00 0.00 H new ATOM 0 HG13 VAL A 96 31.187 -2.408 20.442 1.00 0.00 H new ATOM 0 HG21 VAL A 96 29.755 -2.457 17.652 1.00 0.00 H new ATOM 0 HG22 VAL A 96 28.947 -2.958 19.157 1.00 0.00 H new ATOM 0 HG23 VAL A 96 28.230 -1.682 18.144 1.00 0.00 H new ATOM 1543 N ASP A 97 30.031 1.537 21.336 1.00 0.00 N ATOM 1544 CA ASP A 97 30.759 2.307 22.412 1.00 0.00 C ATOM 1545 C ASP A 97 30.213 1.952 23.786 1.00 0.00 C ATOM 1546 O ASP A 97 30.901 2.077 24.815 1.00 0.00 O ATOM 1547 CB ASP A 97 30.740 3.804 22.136 1.00 0.00 C ATOM 1548 CG ASP A 97 31.238 4.756 23.224 1.00 0.00 C ATOM 1549 OD1 ASP A 97 30.708 4.889 24.321 1.00 0.00 O ATOM 1550 OD2 ASP A 97 32.296 5.411 22.850 1.00 0.00 O ATOM 0 H ASP A 97 29.690 2.094 20.552 1.00 0.00 H new ATOM 0 HA ASP A 97 31.808 2.012 22.400 1.00 0.00 H new ATOM 0 HB2 ASP A 97 31.336 3.983 21.241 1.00 0.00 H new ATOM 0 HB3 ASP A 97 29.714 4.083 21.896 1.00 0.00 H new ATOM 1555 N ASN A 98 28.978 1.497 23.739 1.00 0.00 N ATOM 1556 CA ASN A 98 28.218 1.072 24.885 1.00 0.00 C ATOM 1557 C ASN A 98 26.861 0.446 24.766 1.00 0.00 C ATOM 1558 O ASN A 98 26.412 -0.253 25.679 1.00 0.00 O ATOM 1559 CB ASN A 98 28.144 2.320 25.843 1.00 0.00 C ATOM 1560 CG ASN A 98 27.187 2.145 27.004 1.00 0.00 C ATOM 1561 OD1 ASN A 98 26.045 2.723 27.057 1.00 0.00 O ATOM 1562 ND2 ASN A 98 27.601 1.351 27.959 1.00 0.00 N ATOM 0 H ASN A 98 28.460 1.412 22.864 1.00 0.00 H new ATOM 0 HA ASN A 98 28.770 0.199 25.233 1.00 0.00 H new ATOM 0 HB2 ASN A 98 29.141 2.526 26.234 1.00 0.00 H new ATOM 0 HB3 ASN A 98 27.842 3.193 25.264 1.00 0.00 H new ATOM 0 HD21 ASN A 98 27.009 1.179 28.772 1.00 0.00 H new ATOM 0 HD22 ASN A 98 28.515 0.904 27.890 1.00 0.00 H new ATOM 1569 N GLY A 99 26.166 0.691 23.676 1.00 0.00 N ATOM 1570 CA GLY A 99 24.841 0.275 23.351 1.00 0.00 C ATOM 1571 C GLY A 99 23.801 1.369 23.731 1.00 0.00 C ATOM 1572 O GLY A 99 23.290 1.362 24.858 1.00 0.00 O ATOM 0 H GLY A 99 26.570 1.247 22.923 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.775 0.061 22.284 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.608 -0.651 23.877 1.00 0.00 H new ATOM 1576 N LYS A 100 23.575 2.237 22.752 1.00 0.00 N ATOM 1577 CA LYS A 100 22.654 3.343 22.873 1.00 0.00 C ATOM 1578 C LYS A 100 21.346 2.979 22.124 1.00 0.00 C ATOM 1579 O LYS A 100 21.330 1.894 21.614 1.00 0.00 O ATOM 1580 CB LYS A 100 23.175 4.589 22.172 1.00 0.00 C ATOM 1581 CG LYS A 100 23.740 5.549 23.175 1.00 0.00 C ATOM 1582 CD LYS A 100 25.008 4.867 23.704 1.00 0.00 C ATOM 1583 CE LYS A 100 26.238 5.683 23.957 1.00 0.00 C ATOM 1584 NZ LYS A 100 27.335 5.273 23.055 1.00 0.00 N ATOM 0 H LYS A 100 24.036 2.185 21.843 1.00 0.00 H new ATOM 0 HA LYS A 100 22.513 3.531 23.937 1.00 0.00 H new ATOM 0 HB2 LYS A 100 23.942 4.314 21.448 1.00 0.00 H new ATOM 0 HB3 LYS A 100 22.368 5.066 21.615 1.00 0.00 H new ATOM 0 HG2 LYS A 100 23.971 6.510 22.715 1.00 0.00 H new ATOM 0 HG3 LYS A 100 23.031 5.743 23.980 1.00 0.00 H new ATOM 0 HD2 LYS A 100 24.746 4.374 24.640 1.00 0.00 H new ATOM 0 HD3 LYS A 100 25.277 4.084 22.995 1.00 0.00 H new ATOM 0 HE2 LYS A 100 26.015 6.740 23.809 1.00 0.00 H new ATOM 0 HE3 LYS A 100 26.551 5.565 24.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 28.155 5.896 23.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 27.605 4.290 23.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 27.017 5.344 22.067 1.00 0.00 H new ATOM 1598 N GLU A 101 20.479 3.950 22.127 1.00 0.00 N ATOM 1599 CA GLU A 101 19.230 3.717 21.381 1.00 0.00 C ATOM 1600 C GLU A 101 18.642 4.931 20.671 1.00 0.00 C ATOM 1601 O GLU A 101 17.559 5.372 20.939 1.00 0.00 O ATOM 1602 CB GLU A 101 18.288 2.881 22.221 1.00 0.00 C ATOM 1603 CG GLU A 101 18.806 1.448 22.513 1.00 0.00 C ATOM 1604 CD GLU A 101 19.673 1.324 23.764 1.00 0.00 C ATOM 1605 OE1 GLU A 101 19.956 2.245 24.530 1.00 0.00 O ATOM 1606 OE2 GLU A 101 20.074 0.092 23.890 1.00 0.00 O ATOM 0 H GLU A 101 20.577 4.852 22.592 1.00 0.00 H new ATOM 0 HA GLU A 101 19.467 3.121 20.500 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.111 3.392 23.167 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.327 2.812 21.711 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.950 0.781 22.613 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.381 1.102 21.654 1.00 0.00 H new ATOM 1613 N LEU A 102 19.523 5.395 19.771 1.00 0.00 N ATOM 1614 CA LEU A 102 19.401 6.580 18.965 1.00 0.00 C ATOM 1615 C LEU A 102 17.941 6.568 18.456 1.00 0.00 C ATOM 1616 O LEU A 102 17.271 7.513 18.762 1.00 0.00 O ATOM 1617 CB LEU A 102 20.241 6.479 17.654 1.00 0.00 C ATOM 1618 CG LEU A 102 21.713 6.741 17.854 1.00 0.00 C ATOM 1619 CD1 LEU A 102 22.480 5.423 17.631 1.00 0.00 C ATOM 1620 CD2 LEU A 102 22.118 7.702 16.751 1.00 0.00 C ATOM 0 H LEU A 102 20.397 4.902 19.588 1.00 0.00 H new ATOM 0 HA LEU A 102 19.711 7.444 19.552 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.113 5.484 17.227 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.850 7.191 16.927 1.00 0.00 H new ATOM 0 HG LEU A 102 21.922 7.133 18.849 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.547 5.595 17.772 1.00 0.00 H new ATOM 0 HD12 LEU A 102 22.135 4.676 18.346 1.00 0.00 H new ATOM 0 HD13 LEU A 102 22.301 5.065 16.617 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.180 7.933 16.841 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.927 7.243 15.781 1.00 0.00 H new ATOM 0 HD23 LEU A 102 21.538 8.621 16.838 1.00 0.00 H new ATOM 1632 N ILE A 103 17.663 5.521 17.738 1.00 0.00 N ATOM 1633 CA ILE A 103 16.293 5.402 17.204 1.00 0.00 C ATOM 1634 C ILE A 103 16.013 6.542 16.256 1.00 0.00 C ATOM 1635 O ILE A 103 14.969 7.192 16.205 1.00 0.00 O ATOM 1636 CB ILE A 103 15.349 5.463 18.402 1.00 0.00 C ATOM 1637 CG1 ILE A 103 15.117 4.087 19.031 1.00 0.00 C ATOM 1638 CG2 ILE A 103 14.007 6.086 18.156 1.00 0.00 C ATOM 1639 CD1 ILE A 103 14.755 2.946 18.116 1.00 0.00 C ATOM 0 H ILE A 103 18.307 4.765 17.505 1.00 0.00 H new ATOM 0 HA ILE A 103 16.160 4.471 16.653 1.00 0.00 H new ATOM 0 HB ILE A 103 15.889 6.123 19.081 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.022 3.809 19.570 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.323 4.187 19.771 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.425 6.073 19.078 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.139 7.116 17.825 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.480 5.522 17.386 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.622 2.037 18.703 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.828 3.179 17.593 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.553 2.795 17.389 1.00 0.00 H new ATOM 1651 N ALA A 104 16.978 6.879 15.388 1.00 0.00 N ATOM 1652 CA ALA A 104 16.829 7.921 14.390 1.00 0.00 C ATOM 1653 C ALA A 104 15.560 7.656 13.586 1.00 0.00 C ATOM 1654 O ALA A 104 15.583 7.072 12.493 1.00 0.00 O ATOM 1655 CB ALA A 104 17.981 7.832 13.395 1.00 0.00 C ATOM 0 H ALA A 104 17.891 6.424 15.368 1.00 0.00 H new ATOM 0 HA ALA A 104 16.802 8.889 14.891 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.873 8.613 12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 104 18.927 7.962 13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.968 6.856 12.909 1.00 0.00 H new ATOM 1661 N VAL A 105 14.405 8.047 14.054 1.00 0.00 N ATOM 1662 CA VAL A 105 13.124 7.856 13.420 1.00 0.00 C ATOM 1663 C VAL A 105 12.895 8.933 12.346 1.00 0.00 C ATOM 1664 O VAL A 105 13.852 9.094 11.586 1.00 0.00 O ATOM 1665 CB VAL A 105 11.950 7.822 14.397 1.00 0.00 C ATOM 1666 CG1 VAL A 105 10.631 7.287 13.794 1.00 0.00 C ATOM 1667 CG2 VAL A 105 12.228 6.963 15.632 1.00 0.00 C ATOM 0 H VAL A 105 14.327 8.539 14.944 1.00 0.00 H new ATOM 0 HA VAL A 105 13.159 6.870 12.957 1.00 0.00 H new ATOM 0 HB VAL A 105 11.835 8.873 14.661 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.852 7.298 14.556 1.00 0.00 H new ATOM 0 HG12 VAL A 105 10.330 7.919 12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 105 10.780 6.266 13.441 1.00 0.00 H new ATOM 0 HG21 VAL A 105 11.358 6.978 16.289 1.00 0.00 H new ATOM 0 HG22 VAL A 105 12.433 5.938 15.324 1.00 0.00 H new ATOM 0 HG23 VAL A 105 13.092 7.361 16.165 1.00 0.00 H new ATOM 1677 N ARG A 106 11.755 9.569 12.300 1.00 0.00 N ATOM 1678 CA ARG A 106 11.323 10.540 11.303 1.00 0.00 C ATOM 1679 C ARG A 106 9.795 10.356 11.319 1.00 0.00 C ATOM 1680 O ARG A 106 9.163 11.341 11.053 1.00 0.00 O ATOM 1681 CB ARG A 106 11.749 10.231 9.917 1.00 0.00 C ATOM 1682 CG ARG A 106 12.376 11.468 9.299 1.00 0.00 C ATOM 1683 CD ARG A 106 13.656 11.252 8.549 1.00 0.00 C ATOM 1684 NE ARG A 106 14.747 11.251 9.527 1.00 0.00 N ATOM 1685 CZ ARG A 106 15.682 10.320 9.643 1.00 0.00 C ATOM 1686 NH1 ARG A 106 15.796 9.238 8.908 1.00 0.00 N ATOM 1687 NH2 ARG A 106 16.590 10.521 10.604 1.00 0.00 N ATOM 0 H ARG A 106 11.040 9.416 13.011 1.00 0.00 H new ATOM 0 HA ARG A 106 11.728 11.524 11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.464 9.409 9.919 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.893 9.908 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.652 11.917 8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.561 12.192 10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 106 13.627 10.307 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 106 13.805 12.039 7.810 1.00 0.00 H new ATOM 0 HE ARG A 106 14.790 12.037 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.123 9.054 8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 106 16.557 8.582 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.534 11.352 11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.338 9.843 10.748 1.00 0.00 H new ATOM 1701 N GLU A 107 9.442 9.149 11.658 1.00 0.00 N ATOM 1702 CA GLU A 107 8.086 8.697 11.862 1.00 0.00 C ATOM 1703 C GLU A 107 7.268 9.087 10.651 1.00 0.00 C ATOM 1704 O GLU A 107 6.788 8.362 9.797 1.00 0.00 O ATOM 1705 CB GLU A 107 7.539 9.612 13.014 1.00 0.00 C ATOM 1706 CG GLU A 107 7.541 8.897 14.367 1.00 0.00 C ATOM 1707 CD GLU A 107 6.195 8.720 15.097 1.00 0.00 C ATOM 1708 OE1 GLU A 107 5.158 8.765 14.312 1.00 0.00 O ATOM 1709 OE2 GLU A 107 6.116 8.552 16.301 1.00 0.00 O ATOM 0 H GLU A 107 10.128 8.409 11.809 1.00 0.00 H new ATOM 0 HA GLU A 107 8.040 7.625 12.055 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.148 10.514 13.080 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.524 9.929 12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.973 7.907 14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.211 9.442 15.031 1.00 0.00 H new ATOM 1716 N ILE A 108 7.104 10.398 10.587 1.00 0.00 N ATOM 1717 CA ILE A 108 6.400 11.144 9.549 1.00 0.00 C ATOM 1718 C ILE A 108 4.890 11.136 9.608 1.00 0.00 C ATOM 1719 O ILE A 108 4.166 10.211 9.265 1.00 0.00 O ATOM 1720 CB ILE A 108 6.945 10.809 8.163 1.00 0.00 C ATOM 1721 CG1 ILE A 108 6.619 12.076 7.384 1.00 0.00 C ATOM 1722 CG2 ILE A 108 6.294 9.640 7.473 1.00 0.00 C ATOM 1723 CD1 ILE A 108 7.033 12.016 5.950 1.00 0.00 C ATOM 0 H ILE A 108 7.484 11.014 11.306 1.00 0.00 H new ATOM 0 HA ILE A 108 6.626 12.187 9.772 1.00 0.00 H new ATOM 0 HB ILE A 108 7.994 10.521 8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.546 12.260 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.111 12.923 7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.756 9.490 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.423 8.742 8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.230 9.840 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.770 12.951 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.110 11.863 5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.521 11.189 5.458 1.00 0.00 H new ATOM 1735 N SER A 109 4.345 12.239 10.128 1.00 0.00 N ATOM 1736 CA SER A 109 2.917 12.342 10.268 1.00 0.00 C ATOM 1737 C SER A 109 2.550 13.767 10.438 1.00 0.00 C ATOM 1738 O SER A 109 3.031 14.379 11.367 1.00 0.00 O ATOM 1739 CB SER A 109 2.489 11.494 11.464 1.00 0.00 C ATOM 1740 OG SER A 109 1.155 11.707 11.828 1.00 0.00 O ATOM 0 H SER A 109 4.872 13.051 10.449 1.00 0.00 H new ATOM 0 HA SER A 109 2.402 11.971 9.382 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.633 10.440 11.227 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.134 11.720 12.313 1.00 0.00 H new ATOM 0 HG SER A 109 0.931 11.141 12.596 1.00 0.00 H new ATOM 1746 N GLY A 110 1.697 14.200 9.520 1.00 0.00 N ATOM 1747 CA GLY A 110 1.134 15.507 9.441 1.00 0.00 C ATOM 1748 C GLY A 110 2.067 16.563 9.950 1.00 0.00 C ATOM 1749 O GLY A 110 2.059 16.794 11.169 1.00 0.00 O ATOM 0 H GLY A 110 1.369 13.593 8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.873 15.725 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.208 15.536 10.016 1.00 0.00 H new ATOM 1753 N ASN A 111 2.862 17.224 9.099 1.00 0.00 N ATOM 1754 CA ASN A 111 3.832 18.180 9.618 1.00 0.00 C ATOM 1755 C ASN A 111 4.862 17.291 10.344 1.00 0.00 C ATOM 1756 O ASN A 111 4.534 16.823 11.436 1.00 0.00 O ATOM 1757 CB ASN A 111 3.322 19.334 10.477 1.00 0.00 C ATOM 1758 CG ASN A 111 3.114 20.638 9.702 1.00 0.00 C ATOM 1759 OD1 ASN A 111 3.974 21.534 9.731 1.00 0.00 O ATOM 1760 ND2 ASN A 111 1.993 20.733 9.026 1.00 0.00 N ATOM 0 H ASN A 111 2.852 17.117 8.085 1.00 0.00 H new ATOM 0 HA ASN A 111 4.237 18.762 8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.378 19.042 10.938 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.030 19.512 11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.792 21.576 8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.323 19.964 9.039 1.00 0.00 H new ATOM 1767 N GLU A 112 6.036 17.045 9.770 1.00 0.00 N ATOM 1768 CA GLU A 112 6.868 16.122 10.470 1.00 0.00 C ATOM 1769 C GLU A 112 8.156 15.753 9.688 1.00 0.00 C ATOM 1770 O GLU A 112 8.485 16.494 8.810 1.00 0.00 O ATOM 1771 CB GLU A 112 6.062 14.779 10.344 1.00 0.00 C ATOM 1772 CG GLU A 112 5.263 14.671 9.013 1.00 0.00 C ATOM 1773 CD GLU A 112 5.639 15.485 7.817 1.00 0.00 C ATOM 1774 OE1 GLU A 112 6.715 15.157 7.175 1.00 0.00 O ATOM 1775 OE2 GLU A 112 4.937 16.419 7.471 1.00 0.00 O ATOM 0 H GLU A 112 6.395 17.439 8.900 1.00 0.00 H new ATOM 0 HA GLU A 112 7.111 16.529 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.753 13.939 10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 112 5.372 14.696 11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.292 13.625 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.224 14.907 9.245 1.00 0.00 H new ATOM 1782 N LEU A 113 8.675 14.654 10.153 1.00 0.00 N ATOM 1783 CA LEU A 113 9.859 13.924 9.716 1.00 0.00 C ATOM 1784 C LEU A 113 10.595 14.082 11.082 1.00 0.00 C ATOM 1785 O LEU A 113 11.593 14.765 11.171 1.00 0.00 O ATOM 1786 CB LEU A 113 10.687 14.460 8.587 1.00 0.00 C ATOM 1787 CG LEU A 113 10.390 13.999 7.170 1.00 0.00 C ATOM 1788 CD1 LEU A 113 11.758 13.978 6.478 1.00 0.00 C ATOM 1789 CD2 LEU A 113 9.933 12.564 7.062 1.00 0.00 C ATOM 0 H LEU A 113 8.235 14.181 10.942 1.00 0.00 H new ATOM 0 HA LEU A 113 9.643 12.946 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.602 15.547 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.728 14.219 8.800 1.00 0.00 H new ATOM 0 HG LEU A 113 9.616 14.651 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.638 13.655 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.191 14.978 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.419 13.286 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.744 12.320 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.708 11.905 7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.017 12.430 7.637 1.00 0.00 H new ATOM 1801 N ILE A 114 9.971 13.466 12.026 1.00 0.00 N ATOM 1802 CA ILE A 114 10.346 13.517 13.401 1.00 0.00 C ATOM 1803 C ILE A 114 11.461 12.538 13.585 1.00 0.00 C ATOM 1804 O ILE A 114 11.382 11.387 13.992 1.00 0.00 O ATOM 1805 CB ILE A 114 9.154 13.039 14.240 1.00 0.00 C ATOM 1806 CG1 ILE A 114 7.833 12.713 13.583 1.00 0.00 C ATOM 1807 CG2 ILE A 114 9.026 13.882 15.521 1.00 0.00 C ATOM 1808 CD1 ILE A 114 6.768 13.841 13.510 1.00 0.00 C ATOM 0 H ILE A 114 9.149 12.887 11.855 1.00 0.00 H new ATOM 0 HA ILE A 114 10.642 14.524 13.696 1.00 0.00 H new ATOM 0 HB ILE A 114 9.441 12.015 14.478 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.037 12.378 12.566 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.393 11.869 14.114 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.176 13.530 16.105 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.937 13.786 16.112 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.875 14.928 15.255 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.873 13.465 13.014 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.514 14.167 14.518 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.168 14.684 12.946 1.00 0.00 H new ATOM 1820 N GLN A 115 12.620 13.112 13.220 1.00 0.00 N ATOM 1821 CA GLN A 115 13.911 12.466 13.274 1.00 0.00 C ATOM 1822 C GLN A 115 14.054 11.684 14.554 1.00 0.00 C ATOM 1823 O GLN A 115 14.860 10.743 14.547 1.00 0.00 O ATOM 1824 CB GLN A 115 14.903 13.601 13.101 1.00 0.00 C ATOM 1825 CG GLN A 115 14.804 14.167 11.667 1.00 0.00 C ATOM 1826 CD GLN A 115 16.153 13.885 11.057 1.00 0.00 C ATOM 1827 OE1 GLN A 115 16.296 13.269 10.016 1.00 0.00 O ATOM 1828 NE2 GLN A 115 17.220 14.353 11.737 1.00 0.00 N ATOM 0 H GLN A 115 12.669 14.069 12.870 1.00 0.00 H new ATOM 0 HA GLN A 115 14.072 11.716 12.500 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.700 14.388 13.827 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.915 13.244 13.292 1.00 0.00 H new ATOM 0 HG2 GLN A 115 14.005 13.685 11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.588 15.235 11.676 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.085 14.867 12.607 1.00 0.00 H new ATOM 0 HE22 GLN A 115 18.162 14.193 11.381 1.00 0.00 H new ATOM 1837 N THR A 116 13.267 12.069 15.524 1.00 0.00 N ATOM 1838 CA THR A 116 13.100 11.459 16.826 1.00 0.00 C ATOM 1839 C THR A 116 14.119 10.423 17.158 1.00 0.00 C ATOM 1840 O THR A 116 13.712 9.264 17.275 1.00 0.00 O ATOM 1841 CB THR A 116 11.694 10.805 16.910 1.00 0.00 C ATOM 1842 OG1 THR A 116 10.758 11.878 16.763 1.00 0.00 O ATOM 1843 CG2 THR A 116 11.462 10.221 18.282 1.00 0.00 C ATOM 0 H THR A 116 12.672 12.890 15.418 1.00 0.00 H new ATOM 0 HA THR A 116 13.224 12.265 17.549 1.00 0.00 H new ATOM 0 HB THR A 116 11.596 10.022 16.158 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.851 12.499 17.515 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.472 9.767 18.322 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.217 9.462 18.487 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.529 11.011 19.030 1.00 0.00 H new ATOM 1851 N TYR A 117 15.385 10.803 17.346 1.00 0.00 N ATOM 1852 CA TYR A 117 16.289 9.803 17.765 1.00 0.00 C ATOM 1853 C TYR A 117 16.606 9.928 19.271 1.00 0.00 C ATOM 1854 O TYR A 117 17.354 10.837 19.692 1.00 0.00 O ATOM 1855 CB TYR A 117 17.680 9.869 17.132 1.00 0.00 C ATOM 1856 CG TYR A 117 18.084 10.538 15.838 1.00 0.00 C ATOM 1857 CD1 TYR A 117 17.608 11.739 15.357 1.00 0.00 C ATOM 1858 CD2 TYR A 117 19.047 9.933 15.004 1.00 0.00 C ATOM 1859 CE1 TYR A 117 18.051 12.303 14.158 1.00 0.00 C ATOM 1860 CE2 TYR A 117 19.499 10.471 13.801 1.00 0.00 C ATOM 1861 CZ TYR A 117 19.009 11.680 13.346 1.00 0.00 C ATOM 1862 OH TYR A 117 19.450 12.222 12.168 1.00 0.00 O ATOM 0 H TYR A 117 15.763 11.741 17.217 1.00 0.00 H new ATOM 0 HA TYR A 117 15.769 8.890 17.475 1.00 0.00 H new ATOM 0 HB2 TYR A 117 18.318 10.316 17.894 1.00 0.00 H new ATOM 0 HB3 TYR A 117 17.993 8.830 17.024 1.00 0.00 H new ATOM 0 HD1 TYR A 117 16.861 12.266 15.931 1.00 0.00 H new ATOM 0 HD2 TYR A 117 19.463 8.988 15.320 1.00 0.00 H new ATOM 0 HE1 TYR A 117 17.641 13.252 13.846 1.00 0.00 H new ATOM 0 HE2 TYR A 117 20.238 9.939 13.220 1.00 0.00 H new ATOM 0 HH TYR A 117 19.883 13.083 12.346 1.00 0.00 H new ATOM 1872 N THR A 118 16.053 8.985 20.029 1.00 0.00 N ATOM 1873 CA THR A 118 16.114 8.943 21.478 1.00 0.00 C ATOM 1874 C THR A 118 17.140 8.008 21.991 1.00 0.00 C ATOM 1875 O THR A 118 16.834 7.060 22.717 1.00 0.00 O ATOM 1876 CB THR A 118 14.782 8.594 22.184 1.00 0.00 C ATOM 1877 OG1 THR A 118 13.754 8.983 21.251 1.00 0.00 O ATOM 1878 CG2 THR A 118 14.722 9.464 23.395 1.00 0.00 C ATOM 0 H THR A 118 15.532 8.203 19.632 1.00 0.00 H new ATOM 0 HA THR A 118 16.375 9.973 21.721 1.00 0.00 H new ATOM 0 HB THR A 118 14.678 7.547 22.467 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.873 8.788 21.634 1.00 0.00 H new ATOM 0 HG21 THR A 118 13.800 9.265 23.941 1.00 0.00 H new ATOM 0 HG22 THR A 118 15.577 9.253 24.038 1.00 0.00 H new ATOM 0 HG23 THR A 118 14.746 10.511 23.092 1.00 0.00 H new ATOM 1886 N TYR A 119 18.439 8.227 21.704 1.00 0.00 N ATOM 1887 CA TYR A 119 19.478 7.385 22.207 1.00 0.00 C ATOM 1888 C TYR A 119 19.465 7.324 23.725 1.00 0.00 C ATOM 1889 O TYR A 119 20.209 6.463 24.196 1.00 0.00 O ATOM 1890 CB TYR A 119 20.902 7.891 21.839 1.00 0.00 C ATOM 1891 CG TYR A 119 21.283 9.209 22.397 1.00 0.00 C ATOM 1892 CD1 TYR A 119 20.395 10.115 22.953 1.00 0.00 C ATOM 1893 CD2 TYR A 119 22.648 9.557 22.369 1.00 0.00 C ATOM 1894 CE1 TYR A 119 20.869 11.320 23.458 1.00 0.00 C ATOM 1895 CE2 TYR A 119 23.147 10.750 22.864 1.00 0.00 C ATOM 1896 CZ TYR A 119 22.224 11.639 23.418 1.00 0.00 C ATOM 1897 OH TYR A 119 22.704 12.819 23.912 1.00 0.00 O ATOM 0 H TYR A 119 18.769 8.994 21.118 1.00 0.00 H new ATOM 0 HA TYR A 119 19.279 6.415 21.752 1.00 0.00 H new ATOM 0 HB2 TYR A 119 21.628 7.151 22.176 1.00 0.00 H new ATOM 0 HB3 TYR A 119 20.980 7.941 20.753 1.00 0.00 H new ATOM 0 HD1 TYR A 119 19.340 9.886 22.994 1.00 0.00 H new ATOM 0 HD2 TYR A 119 23.344 8.854 21.937 1.00 0.00 H new ATOM 0 HE1 TYR A 119 20.172 12.023 23.890 1.00 0.00 H new ATOM 0 HE2 TYR A 119 24.201 10.982 22.823 1.00 0.00 H new ATOM 0 HH TYR A 119 23.503 13.083 23.410 1.00 0.00 H new ATOM 1907 N GLU A 120 18.707 8.144 24.426 1.00 0.00 N ATOM 1908 CA GLU A 120 18.782 8.030 25.888 1.00 0.00 C ATOM 1909 C GLU A 120 17.847 8.840 26.712 1.00 0.00 C ATOM 1910 O GLU A 120 17.966 9.177 27.870 1.00 0.00 O ATOM 1911 CB GLU A 120 20.290 8.248 26.217 1.00 0.00 C ATOM 1912 CG GLU A 120 20.558 9.426 27.158 1.00 0.00 C ATOM 1913 CD GLU A 120 20.619 9.093 28.636 1.00 0.00 C ATOM 1914 OE1 GLU A 120 20.093 8.197 29.272 1.00 0.00 O ATOM 1915 OE2 GLU A 120 21.378 9.969 29.222 1.00 0.00 O ATOM 0 H GLU A 120 18.073 8.851 24.053 1.00 0.00 H new ATOM 0 HA GLU A 120 18.412 7.048 26.184 1.00 0.00 H new ATOM 0 HB2 GLU A 120 20.688 7.339 26.667 1.00 0.00 H new ATOM 0 HB3 GLU A 120 20.835 8.408 25.287 1.00 0.00 H new ATOM 0 HG2 GLU A 120 21.502 9.888 26.870 1.00 0.00 H new ATOM 0 HG3 GLU A 120 19.778 10.172 27.005 1.00 0.00 H new ATOM 1922 N GLY A 121 16.742 9.221 26.063 1.00 0.00 N ATOM 1923 CA GLY A 121 15.746 10.033 26.731 1.00 0.00 C ATOM 1924 C GLY A 121 15.772 11.503 26.338 1.00 0.00 C ATOM 1925 O GLY A 121 15.234 12.355 27.005 1.00 0.00 O ATOM 0 H GLY A 121 16.526 8.981 25.095 1.00 0.00 H new ATOM 0 HA2 GLY A 121 14.758 9.628 26.513 1.00 0.00 H new ATOM 0 HA3 GLY A 121 15.892 9.954 27.808 1.00 0.00 H new ATOM 1929 N VAL A 122 16.460 11.724 25.187 1.00 0.00 N ATOM 1930 CA VAL A 122 16.601 13.056 24.693 1.00 0.00 C ATOM 1931 C VAL A 122 15.823 13.259 23.398 1.00 0.00 C ATOM 1932 O VAL A 122 14.951 14.135 23.407 1.00 0.00 O ATOM 1933 CB VAL A 122 18.108 13.295 24.386 1.00 0.00 C ATOM 1934 CG1 VAL A 122 18.397 14.715 23.920 1.00 0.00 C ATOM 1935 CG2 VAL A 122 18.888 13.066 25.654 1.00 0.00 C ATOM 0 H VAL A 122 16.902 10.999 24.622 1.00 0.00 H new ATOM 0 HA VAL A 122 16.217 13.748 25.443 1.00 0.00 H new ATOM 0 HB VAL A 122 18.392 12.611 23.587 1.00 0.00 H new ATOM 0 HG11 VAL A 122 19.463 14.823 23.721 1.00 0.00 H new ATOM 0 HG12 VAL A 122 17.835 14.920 23.009 1.00 0.00 H new ATOM 0 HG13 VAL A 122 18.100 15.420 24.696 1.00 0.00 H new ATOM 0 HG21 VAL A 122 19.949 13.228 25.463 1.00 0.00 H new ATOM 0 HG22 VAL A 122 18.547 13.761 26.421 1.00 0.00 H new ATOM 0 HG23 VAL A 122 18.733 12.043 25.997 1.00 0.00 H new ATOM 1945 N GLU A 123 16.133 12.520 22.361 1.00 0.00 N ATOM 1946 CA GLU A 123 15.531 12.617 21.071 1.00 0.00 C ATOM 1947 C GLU A 123 15.984 13.856 20.367 1.00 0.00 C ATOM 1948 O GLU A 123 15.876 14.924 20.969 1.00 0.00 O ATOM 1949 CB GLU A 123 13.996 12.889 21.194 1.00 0.00 C ATOM 1950 CG GLU A 123 13.273 12.596 19.843 1.00 0.00 C ATOM 1951 CD GLU A 123 11.781 12.583 19.834 1.00 0.00 C ATOM 1952 OE1 GLU A 123 11.097 11.847 20.551 1.00 0.00 O ATOM 1953 OE2 GLU A 123 11.183 13.402 19.042 1.00 0.00 O ATOM 0 H GLU A 123 16.852 11.798 22.406 1.00 0.00 H new ATOM 0 HA GLU A 123 15.786 11.688 20.562 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.573 12.265 21.981 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.828 13.926 21.485 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.605 13.340 19.119 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.617 11.626 19.484 1.00 0.00 H new ATOM 1960 N ALA A 124 16.467 13.669 19.131 1.00 0.00 N ATOM 1961 CA ALA A 124 16.939 14.819 18.346 1.00 0.00 C ATOM 1962 C ALA A 124 16.163 14.954 17.059 1.00 0.00 C ATOM 1963 O ALA A 124 16.153 14.204 16.130 1.00 0.00 O ATOM 1964 CB ALA A 124 18.415 14.796 18.078 1.00 0.00 C ATOM 0 H ALA A 124 16.541 12.765 18.665 1.00 0.00 H new ATOM 0 HA ALA A 124 16.755 15.698 18.964 1.00 0.00 H new ATOM 0 HB1 ALA A 124 18.693 15.674 17.495 1.00 0.00 H new ATOM 0 HB2 ALA A 124 18.957 14.803 19.024 1.00 0.00 H new ATOM 0 HB3 ALA A 124 18.670 13.895 17.521 1.00 0.00 H new ATOM 1970 N LYS A 125 15.399 16.053 17.005 1.00 0.00 N ATOM 1971 CA LYS A 125 14.569 16.253 15.825 1.00 0.00 C ATOM 1972 C LYS A 125 14.320 17.711 15.681 1.00 0.00 C ATOM 1973 O LYS A 125 14.958 18.489 16.427 1.00 0.00 O ATOM 1974 CB LYS A 125 13.225 15.471 15.966 1.00 0.00 C ATOM 1975 CG LYS A 125 13.184 14.690 17.272 1.00 0.00 C ATOM 1976 CD LYS A 125 12.975 15.641 18.486 1.00 0.00 C ATOM 1977 CE LYS A 125 11.849 16.663 18.367 1.00 0.00 C ATOM 1978 NZ LYS A 125 12.095 17.817 19.251 1.00 0.00 N ATOM 0 H LYS A 125 15.341 16.776 17.723 1.00 0.00 H new ATOM 0 HA LYS A 125 15.075 15.874 14.937 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.388 16.169 15.929 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.108 14.787 15.125 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.377 13.958 17.236 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.114 14.135 17.397 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.789 15.030 19.369 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.906 16.179 18.661 1.00 0.00 H new ATOM 0 HE2 LYS A 125 11.766 17.001 17.334 1.00 0.00 H new ATOM 0 HE3 LYS A 125 10.899 16.196 18.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.317 18.500 19.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.151 17.493 20.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.991 18.273 18.985 1.00 0.00 H new ATOM 1992 N ARG A 126 13.454 18.092 14.777 1.00 0.00 N ATOM 1993 CA ARG A 126 13.056 19.480 14.453 1.00 0.00 C ATOM 1994 C ARG A 126 12.246 19.270 13.191 1.00 0.00 C ATOM 1995 O ARG A 126 11.151 19.771 13.205 1.00 0.00 O ATOM 1996 CB ARG A 126 14.184 20.387 14.172 1.00 0.00 C ATOM 1997 CG ARG A 126 14.571 21.230 15.332 1.00 0.00 C ATOM 1998 CD ARG A 126 13.399 22.156 15.619 1.00 0.00 C ATOM 1999 NE ARG A 126 13.873 23.065 16.664 1.00 0.00 N ATOM 2000 CZ ARG A 126 14.071 24.353 16.593 1.00 0.00 C ATOM 2001 NH1 ARG A 126 13.867 25.080 15.505 1.00 0.00 N ATOM 2002 NH2 ARG A 126 14.503 24.967 17.688 1.00 0.00 N ATOM 0 H ARG A 126 12.963 17.412 14.197 1.00 0.00 H new ATOM 0 HA ARG A 126 12.540 19.957 15.286 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.045 19.797 13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.920 21.034 13.335 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.795 20.611 16.201 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.470 21.804 15.109 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.103 22.705 14.725 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.526 21.594 15.952 1.00 0.00 H new ATOM 0 HE ARG A 126 14.075 22.635 17.567 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.534 24.635 14.650 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.043 26.084 15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.667 24.433 18.541 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.671 25.973 17.676 1.00 0.00 H new ATOM 2016 N ILE A 127 12.812 18.560 12.210 1.00 0.00 N ATOM 2017 CA ILE A 127 12.209 18.153 10.984 1.00 0.00 C ATOM 2018 C ILE A 127 12.913 18.565 9.751 1.00 0.00 C ATOM 2019 O ILE A 127 13.687 19.521 9.694 1.00 0.00 O ATOM 2020 CB ILE A 127 10.719 18.572 10.830 1.00 0.00 C ATOM 2021 CG1 ILE A 127 9.863 17.586 11.636 1.00 0.00 C ATOM 2022 CG2 ILE A 127 10.149 18.679 9.426 1.00 0.00 C ATOM 2023 CD1 ILE A 127 10.347 17.180 13.010 1.00 0.00 C ATOM 0 H ILE A 127 13.779 18.242 12.280 1.00 0.00 H new ATOM 0 HA ILE A 127 12.285 17.070 11.079 1.00 0.00 H new ATOM 0 HB ILE A 127 10.689 19.598 11.196 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.870 18.021 11.747 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.749 16.680 11.041 1.00 0.00 H new ATOM 0 HG21 ILE A 127 9.103 18.980 9.480 1.00 0.00 H new ATOM 0 HG22 ILE A 127 10.711 19.422 8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.223 17.712 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.638 16.481 13.454 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.323 16.702 12.925 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.429 18.064 13.643 1.00 0.00 H new ATOM 2035 N PHE A 128 12.533 17.760 8.727 1.00 0.00 N ATOM 2036 CA PHE A 128 12.860 17.807 7.378 1.00 0.00 C ATOM 2037 C PHE A 128 12.846 19.230 6.787 1.00 0.00 C ATOM 2038 O PHE A 128 12.150 20.044 7.361 1.00 0.00 O ATOM 2039 CB PHE A 128 11.791 17.125 6.503 1.00 0.00 C ATOM 2040 CG PHE A 128 10.512 17.923 6.178 1.00 0.00 C ATOM 2041 CD1 PHE A 128 10.440 19.143 5.578 1.00 0.00 C ATOM 2042 CD2 PHE A 128 9.262 17.376 6.508 1.00 0.00 C ATOM 2043 CE1 PHE A 128 9.204 19.769 5.337 1.00 0.00 C ATOM 2044 CE2 PHE A 128 8.040 17.950 6.290 1.00 0.00 C ATOM 2045 CZ PHE A 128 7.989 19.183 5.688 1.00 0.00 C ATOM 0 H PHE A 128 11.907 16.976 8.911 1.00 0.00 H new ATOM 0 HA PHE A 128 13.844 17.338 7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 128 12.259 16.844 5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 128 11.493 16.201 6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.351 19.641 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.266 16.405 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 128 9.196 20.739 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.133 17.444 6.585 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.048 19.677 5.495 1.00 0.00 H new ATOM 2055 N LYS A 129 13.543 19.218 5.693 1.00 0.00 N ATOM 2056 CA LYS A 129 13.730 20.384 4.868 1.00 0.00 C ATOM 2057 C LYS A 129 13.062 20.112 3.532 1.00 0.00 C ATOM 2058 O LYS A 129 13.119 21.001 2.720 1.00 0.00 O ATOM 2059 CB LYS A 129 15.039 21.089 4.856 1.00 0.00 C ATOM 2060 CG LYS A 129 14.792 22.602 4.673 1.00 0.00 C ATOM 2061 CD LYS A 129 15.870 23.245 3.858 1.00 0.00 C ATOM 2062 CE LYS A 129 17.187 23.353 4.656 1.00 0.00 C ATOM 2063 NZ LYS A 129 17.992 24.562 4.480 1.00 0.00 N ATOM 0 H LYS A 129 14.009 18.384 5.337 1.00 0.00 H new ATOM 0 HA LYS A 129 13.231 21.210 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.575 20.905 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.664 20.709 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.828 22.757 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.739 23.083 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.038 22.665 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.549 24.239 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.946 23.262 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.808 22.496 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.844 24.501 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 18.270 24.652 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.435 25.394 4.760 1.00 0.00 H new ATOM 2077 N LYS A 130 12.431 18.978 3.519 1.00 0.00 N ATOM 2078 CA LYS A 130 11.780 18.348 2.436 1.00 0.00 C ATOM 2079 C LYS A 130 11.987 19.047 1.114 1.00 0.00 C ATOM 2080 O LYS A 130 12.119 20.270 0.918 1.00 0.00 O ATOM 2081 CB LYS A 130 10.291 18.077 2.583 1.00 0.00 C ATOM 2082 CG LYS A 130 9.459 18.033 1.270 1.00 0.00 C ATOM 2083 CD LYS A 130 8.568 19.255 1.043 1.00 0.00 C ATOM 2084 CE LYS A 130 7.054 19.007 1.083 1.00 0.00 C ATOM 2085 NZ LYS A 130 6.421 18.776 -0.233 1.00 0.00 N ATOM 0 H LYS A 130 12.358 18.418 4.368 1.00 0.00 H new ATOM 0 HA LYS A 130 12.284 17.382 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.167 17.124 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 130 9.867 18.845 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.141 17.935 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 130 8.834 17.140 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.813 20.002 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.819 19.687 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.860 18.143 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.573 19.864 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 5.401 18.619 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.569 19.607 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.847 17.940 -0.681 1.00 0.00 H new ATOM 2099 N GLU A 131 11.957 18.120 0.139 1.00 0.00 N ATOM 2100 CA GLU A 131 12.217 18.530 -1.286 1.00 0.00 C ATOM 2101 C GLU A 131 11.340 17.890 -2.327 1.00 0.00 C ATOM 2102 O GLU A 131 11.768 17.503 -3.421 1.00 0.00 O ATOM 2103 CB GLU A 131 13.756 18.498 -1.320 1.00 0.00 C ATOM 2104 CG GLU A 131 14.657 19.081 -2.395 1.00 0.00 C ATOM 2105 CD GLU A 131 14.444 20.591 -2.677 1.00 0.00 C ATOM 2106 OE1 GLU A 131 13.637 21.272 -1.945 1.00 0.00 O ATOM 2107 OE2 GLU A 131 15.103 21.119 -3.665 1.00 0.00 O ATOM 2108 OXT GLU A 131 10.450 18.981 -1.666 1.00 0.00 O ATOM 0 H GLU A 131 11.767 17.128 0.281 1.00 0.00 H new ATOM 0 HA GLU A 131 11.882 19.517 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.076 18.965 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.025 17.444 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 131 15.695 18.924 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 131 14.499 18.528 -3.321 1.00 0.00 H new